#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fug n PRO 27 N 0.00 2.22 -0.08 -0.72 -0.02 -1.26 -4.23 135.00 130.91 2fug n PRO 27 Ca 0.00 -1.90 -0.09 0.00 -2.02 0.00 0.00 63.50 59.49 2fug n PRO 27 Cb 0.00 -1.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.92 2fug n PRO 27 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fug n ASP 28 N 1.31 1.36 -4.33 2.55 8.00 -1.26 -4.86 116.55 119.32 2fug n ASP 28 Ca 0.14 -0.02 -0.44 0.00 0.71 0.00 0.00 54.79 55.18 2fug n ASP 28 Cb 0.58 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 42.27 2fug n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fug s ALA 29 N -2.39 3.55 0.30 2.24 0.00 -1.26 -5.06 121.76 119.15 2fug s ALA 29 Ca -0.11 -2.33 -0.19 0.00 0.00 0.00 0.00 51.96 49.32 2fug s ALA 29 Cb 0.05 -3.08 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 2fug s ALA 29 CO 0.61 -1.86 0.16 -0.35 0.00 0.00 0.00 175.76 174.33 2fug n PRO 30 N 5.16 0.00 -2.88 0.00 -0.04 -1.26 -4.91 135.00 131.07 2fug n PRO 30 Ca -0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.93 2fug n PRO 30 Cb 0.42 -0.85 -0.05 0.00 -0.04 0.00 0.00 33.50 32.98 2fug n PRO 30 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2fug s VAL 31 N -1.29 4.59 -0.48 0.52 1.01 0.10 -4.83 120.40 120.03 2fug s VAL 31 Ca 0.52 1.81 -0.12 0.00 0.00 0.00 0.00 61.98 64.19 2fug s VAL 31 Cb -0.60 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 31.68 2fug s VAL 31 CO 0.52 0.37 0.37 0.00 0.00 0.00 0.00 175.10 176.36 2fug s ALA 32 N -0.17 3.46 0.17 5.51 0.00 -1.26 0.14 121.76 129.62 2fug s ALA 32 Ca 0.41 -2.41 0.05 0.00 0.00 0.00 0.00 51.96 50.02 2fug s ALA 32 Cb -0.22 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2fug s ALA 32 CO 0.26 -1.86 0.18 -0.48 0.00 0.00 0.00 175.76 173.86 2fug s LEU 33 N 1.47 3.93 0.43 0.00 0.05 -0.50 -4.95 118.68 119.11 2fug s LEU 33 Ca 0.04 -0.07 -0.22 0.00 0.05 0.00 0.00 54.13 53.92 2fug s LEU 33 Cb -0.26 -2.52 -0.09 0.00 -2.05 0.00 0.00 46.19 41.27 2fug s LEU 33 CO 0.02 0.05 1.05 -0.54 -0.55 0.00 0.00 176.35 176.37 2fug s LYS 34 N -3.23 4.01 0.85 1.48 -0.14 -1.26 -4.26 119.74 117.19 2fug s LYS 34 Ca 0.32 1.45 -0.11 0.00 -1.36 0.00 0.00 55.97 56.27 2fug s LYS 34 Cb -0.10 -2.36 0.10 0.00 -1.68 0.00 0.00 37.83 33.80 2fug s LYS 34 CO 0.25 -0.26 1.13 -1.25 -0.76 0.00 0.00 175.35 174.46 2fug s PRO 35 N -2.80 1.57 0.00 -1.68 0.04 -1.26 -1.95 135.00 128.92 2fug s PRO 35 Ca 0.62 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2fug s PRO 35 Cb -0.20 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2fug s PRO 35 CO 0.24 -2.20 0.00 -2.13 0.04 0.00 0.00 177.00 172.96 2fug n ARG 36 N -3.84 0.00 -1.93 4.56 0.63 -1.26 -5.01 116.66 109.81 2fug n ARG 36 Ca 0.11 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.63 2fug n ARG 36 Cb 0.52 -0.77 -0.02 0.00 0.45 0.00 0.00 32.46 32.65 2fug n ARG 36 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 2fug s PHE 37 N -2.53 2.91 -0.57 -0.14 5.36 -0.82 -4.91 117.98 117.27 2fug s PHE 37 Ca 0.00 0.97 -0.27 0.00 -0.96 0.00 0.00 56.93 56.67 2fug s PHE 37 Cb 0.00 -3.91 -0.01 0.00 -0.34 0.00 0.00 43.02 38.77 2fug s PHE 37 CO 0.00 -2.96 1.67 -1.01 -1.46 0.00 0.00 175.22 171.47 2fug s HIS 38 N -0.13 1.91 0.23 10.12 3.76 -1.26 -4.72 115.29 125.21 2fug s HIS 38 Ca 0.60 0.60 0.01 0.00 -0.15 0.00 0.00 55.06 56.12 2fug s HIS 38 Cb -0.44 -4.23 -0.01 0.00 1.11 0.00 0.00 32.58 29.02 2fug s HIS 38 CO 0.46 -2.28 0.05 0.41 -0.85 0.00 0.00 174.74 172.54 2fug n GLY 39 N 5.51 3.71 3.64 -2.22 0.00 -0.02 -4.99 105.19 110.82 2fug n GLY 39 Ca 0.17 -2.10 -0.61 0.00 0.00 0.00 0.00 46.02 43.47 2fug n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fug n ARG 40 N -0.54 0.32 -1.62 1.61 0.63 -0.82 -2.95 116.66 113.29 2fug n ARG 40 Ca -0.05 0.12 -0.41 0.00 -0.92 0.00 0.00 57.85 56.59 2fug n ARG 40 Cb 0.33 -1.66 0.02 0.00 0.45 0.00 0.00 32.46 31.59 2fug n ARG 40 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2fug n HIS 41 N 3.15 1.19 -4.04 -0.14 8.25 -1.26 0.55 115.22 122.91 2fug n HIS 41 Ca 0.25 0.53 -0.15 0.00 -0.26 0.00 0.00 57.72 58.09 2fug n HIS 41 Cb 0.05 -2.23 -0.15 0.00 1.12 0.00 0.00 29.99 28.79 2fug n HIS 41 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2fug s VAL 42 N -1.32 0.26 -0.22 1.59 -7.23 -0.08 -4.66 120.40 108.75 2fug s VAL 42 Ca 0.65 -0.11 -0.10 0.00 -1.81 0.00 0.00 61.98 60.61 2fug s VAL 42 Cb -0.53 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 2fug s VAL 42 CO 0.55 0.09 0.14 -0.76 -0.31 0.00 0.00 175.10 174.81 2fug s LEU 43 N 0.11 4.12 0.29 1.32 1.43 -0.72 -1.19 118.68 124.04 2fug s LEU 43 Ca -0.01 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2fug s LEU 43 Cb -0.04 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2fug s LEU 43 CO -0.00 0.12 0.44 0.42 0.23 0.00 0.00 176.35 177.56 2fug s THR 44 N 0.72 5.09 0.29 5.49 -4.23 -0.46 -1.89 115.64 120.64 2fug s THR 44 Ca 0.07 -0.80 0.09 0.00 -1.18 0.00 0.00 61.69 59.87 2fug s THR 44 Cb -0.12 -3.82 -0.06 0.00 1.34 0.00 0.00 72.50 69.84 2fug s THR 44 CO 0.01 -0.39 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.45 2fug s ARG 45 N -4.12 1.64 0.52 3.99 0.52 -1.26 -1.69 118.95 118.55 2fug s ARG 45 Ca 0.37 -1.80 -0.04 0.00 -0.52 0.00 0.00 55.73 53.74 2fug s ARG 45 Cb -0.09 -1.48 -0.00 0.00 0.52 0.00 0.00 34.95 33.89 2fug s ARG 45 CO 0.32 0.16 0.80 -1.01 0.02 0.00 0.00 175.30 175.59 2fug s HIS 46 N -2.75 3.29 0.38 -0.53 3.76 -0.07 -4.81 115.29 114.56 2fug s HIS 46 Ca 0.30 0.53 0.10 0.00 -0.15 0.00 0.00 55.06 55.83 2fug s HIS 46 Cb 0.01 -2.52 0.86 0.00 1.11 0.00 0.00 32.58 32.04 2fug s HIS 46 CO 0.13 -0.57 1.93 -1.35 -0.85 0.00 0.00 174.74 174.04 2fug h PRO 47 N 0.09 0.61 -0.21 8.40 0.11 -2.00 0.12 132.00 139.12 2fug h PRO 47 Ca -0.46 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2fug h PRO 47 Cb 1.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2fug h PRO 47 CO 0.60 0.40 0.27 -0.91 -0.21 0.00 0.00 178.00 178.15 2fug h ASN 48 N 0.63 0.00 0.00 -2.05 4.21 -2.05 -3.44 115.58 112.88 2fug h ASN 48 Ca 0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.86 2fug h ASN 48 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 2fug h ASN 48 CO -0.13 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.62 2fug n GLY 49 N -1.38 0.82 3.87 2.83 0.00 0.43 -5.09 105.19 106.65 2fug n GLY 49 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2fug n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fug s LEU 50 N 0.00 3.78 0.07 0.99 2.01 -1.25 -4.83 118.68 119.45 2fug s LEU 50 Ca 0.00 1.22 -0.30 0.00 0.01 0.00 0.00 54.13 55.06 2fug s LEU 50 Cb 0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 46.19 42.03 2fug s LEU 50 CO 0.00 -0.45 1.06 -1.61 1.01 0.00 0.00 176.35 176.36 2fug s GLU 51 N -3.92 4.56 0.23 1.70 2.02 -0.46 -0.89 118.70 121.93 2fug s GLU 51 Ca 0.53 1.58 -0.07 0.00 0.02 0.00 0.00 54.97 57.02 2fug s GLU 51 Cb -0.10 -3.38 0.21 0.00 0.10 0.00 0.00 34.13 30.96 2fug s GLU 51 CO 0.32 -0.03 1.87 0.87 0.02 0.00 0.00 175.26 178.31 2fug h LYS 52 N 6.25 1.22 -6.42 1.61 1.57 -1.64 -3.37 116.57 115.79 2fug h LYS 52 Ca -0.42 -0.12 -0.53 0.00 -1.87 0.00 0.00 60.65 57.71 2fug h LYS 52 Cb 1.22 -0.25 0.02 0.00 0.08 0.00 0.00 32.23 33.29 2fug h LYS 52 CO 0.76 0.86 1.10 0.00 -0.57 0.00 0.00 179.45 181.60 2fug n ILE 54 N 5.03 3.18 -4.27 0.00 -5.35 -1.26 -4.23 119.36 112.46 2fug n ILE 54 Ca 0.17 -3.74 -0.31 0.00 -0.27 0.00 0.00 62.75 58.61 2fug n ILE 54 Cb 0.40 -1.18 -0.08 0.00 -1.74 0.00 0.00 39.64 37.04 2fug n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fug n GLY 55 N -0.75 -0.15 3.27 3.28 0.00 -1.26 -4.23 105.19 105.34 2fug n GLY 55 Ca 0.54 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 46.35 2fug n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug n SER 57 N 4.80 0.21 0.28 0.00 2.88 -1.26 -4.21 113.62 116.31 2fug n SER 57 Ca -0.13 -0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 56.93 2fug n SER 57 Cb 0.45 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 2fug n SER 57 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2fug h LEU 58 N 2.45 -0.65 -0.93 2.46 4.07 -1.96 -1.84 115.31 118.92 2fug h LEU 58 Ca 0.00 -0.01 0.27 0.00 0.08 0.00 0.00 57.88 58.22 2fug h LEU 58 Cb 0.06 0.17 -0.16 0.00 1.08 0.00 0.00 40.66 41.80 2fug h LEU 58 CO 0.00 -0.25 0.17 0.00 -1.08 0.00 0.00 178.44 177.27 2fug h ALA 60 N 1.89 1.20 -0.42 0.00 0.00 -1.85 -2.08 119.26 118.01 2fug h ALA 60 Ca 0.60 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.40 2fug h ALA 60 Cb 1.27 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2fug h ALA 60 CO -0.79 0.54 0.04 0.00 0.00 0.00 0.00 179.25 179.05 2fug h ALA 61 N 1.36 0.56 0.00 0.00 0.00 0.25 -2.95 119.26 118.47 2fug h ALA 61 Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2fug h ALA 61 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2fug h ALA 61 CO -0.09 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2fug h ALA 62 N 0.92 1.00 -2.57 0.00 0.00 -0.63 -3.44 119.26 114.53 2fug h ALA 62 Ca 0.12 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.51 2fug h ALA 62 Cb 0.42 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.26 2fug h ALA 62 CO 0.01 0.00 1.07 0.00 0.00 0.00 0.00 179.25 180.33 2fug h PRO 64 N 7.85 0.00 -0.01 0.00 0.13 -1.88 -3.31 132.00 134.78 2fug h PRO 64 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2fug h PRO 64 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2fug h PRO 64 CO 0.95 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.64 2fug n ALA 65 N -1.94 2.62 -3.45 -0.56 0.00 -1.26 -4.99 120.51 110.93 2fug n ALA 65 Ca 0.04 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.73 2fug n ALA 65 Cb 0.48 -0.41 0.07 0.00 0.00 0.00 0.00 19.45 19.60 2fug n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2fug n TYR 66 N 0.39 -2.47 0.85 0.00 4.01 -1.25 -4.91 117.16 113.78 2fug n TYR 66 Ca 0.06 0.91 0.06 0.00 -0.16 0.00 0.00 57.90 58.76 2fug n TYR 66 Cb 0.28 -4.69 0.16 0.00 -0.31 0.00 0.00 39.34 34.78 2fug n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2fug n ALA 67 N -4.56 2.47 -3.29 -0.72 0.00 -1.26 -4.86 120.51 108.28 2fug n ALA 67 Ca -0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 53.44 52.51 2fug n ALA 67 Cb 0.58 -0.97 -0.16 0.00 0.00 0.00 0.00 19.45 18.89 2fug n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fug s ILE 68 N -1.54 1.20 -0.08 0.00 1.01 -1.26 -0.88 121.20 119.65 2fug s ILE 68 Ca 0.24 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.39 2fug s ILE 68 Cb 0.13 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 2fug s ILE 68 CO 0.16 0.36 -0.24 -0.47 0.00 0.00 0.00 174.94 174.75 2fug s TYR 69 N 0.47 2.51 -0.02 3.97 6.14 -0.43 -4.85 117.35 125.14 2fug s TYR 69 Ca -0.11 -0.93 0.02 0.00 0.64 0.00 0.00 57.07 56.69 2fug s TYR 69 Cb -0.14 -1.66 0.01 0.00 0.42 0.00 0.00 41.96 40.58 2fug s TYR 69 CO 0.03 -0.34 -0.06 0.08 0.64 0.00 0.00 175.55 175.90 2fug s VAL 70 N 0.16 0.50 -0.10 3.14 1.01 -1.26 -1.61 120.40 122.24 2fug s VAL 70 Ca -0.13 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2fug s VAL 70 Cb -0.16 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2fug s VAL 70 CO 0.07 0.17 -0.20 -1.61 0.00 0.00 0.00 175.10 173.53 2fug s GLU 71 N 0.24 2.60 0.25 2.72 2.02 0.63 -4.96 118.70 122.19 2fug s GLU 71 Ca -0.03 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.30 2fug s GLU 71 Cb -0.07 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 2fug s GLU 71 CO -0.00 0.08 0.35 -1.25 0.02 0.00 0.00 175.26 174.46 2fug s PRO 72 N 0.59 3.38 0.19 0.39 0.04 -1.26 -0.72 135.00 137.60 2fug s PRO 72 Ca -0.14 -0.80 -0.02 0.00 0.04 0.00 0.00 61.00 60.08 2fug s PRO 72 Cb -0.17 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 2fug s PRO 72 CO 0.05 0.41 0.15 0.00 0.04 0.00 0.00 177.00 177.64 2fug s ALA 73 N -2.00 1.01 -0.20 8.56 0.00 0.30 -4.62 121.76 124.80 2fug s ALA 73 Ca 0.34 -1.59 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 2fug s ALA 73 Cb -0.09 1.28 -0.03 0.00 0.00 0.00 0.00 23.12 24.28 2fug s ALA 73 CO 0.29 -0.59 0.52 -2.00 0.00 0.00 0.00 175.76 173.97 2fug s GLU 74 N -4.13 4.19 0.24 0.00 2.12 -1.26 -2.03 118.70 117.82 2fug s GLU 74 Ca 0.35 0.41 -0.31 0.00 0.36 0.00 0.00 54.97 55.78 2fug s GLU 74 Cb 0.06 -3.57 -0.13 0.00 0.26 0.00 0.00 34.13 30.76 2fug s GLU 74 CO 0.10 -0.16 1.55 0.09 -0.54 0.00 0.00 175.26 176.30 2fug n ASN 75 N 4.82 3.35 -4.62 -1.70 3.02 -0.98 -4.90 115.26 114.26 2fug n ASN 75 Ca -0.05 1.12 -0.43 0.00 -0.03 0.00 0.00 54.58 55.19 2fug n ASN 75 Cb 0.50 -1.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.15 2fug n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2fug s ASP 76 N 0.61 6.70 0.20 6.41 -1.08 -1.26 -4.89 116.67 123.36 2fug s ASP 76 Ca 0.70 0.76 0.02 0.00 -0.52 0.00 0.00 52.55 53.51 2fug s ASP 76 Cb -0.59 -2.55 0.50 0.00 -1.46 0.00 0.00 42.92 38.83 2fug s ASP 76 CO 0.44 -1.14 0.97 -2.65 0.52 0.00 0.00 175.17 173.32 2fug n PRO 77 N 7.51 -0.05 -3.92 4.34 -0.02 -1.26 -3.32 135.00 138.28 2fug n PRO 77 Ca 0.13 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.17 2fug n PRO 77 Cb 0.48 -1.48 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 2fug n PRO 77 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2fug s GLU 78 N -5.46 3.44 -0.92 -0.52 2.56 -1.26 -4.52 118.70 112.03 2fug s GLU 78 Ca -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.97 54.69 2fug s GLU 78 Cb 0.18 -3.17 -0.04 0.00 2.00 0.00 0.00 34.13 33.11 2fug s GLU 78 CO 0.49 0.74 0.82 -1.71 -0.56 0.00 0.00 175.26 175.04 2fug n ASN 79 N 2.10 -7.06 -4.48 -1.70 5.15 -1.25 -5.00 115.26 103.02 2fug n ASN 79 Ca -0.20 -0.46 -0.29 0.00 -0.60 0.00 0.00 54.58 53.03 2fug n ASN 79 Cb 0.55 -5.15 0.17 0.00 -0.53 0.00 0.00 39.78 34.82 2fug n ASN 79 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2fug s PRO 80 N -3.88 0.41 0.02 1.20 0.04 -1.21 -4.56 135.00 127.02 2fug s PRO 80 Ca 0.26 0.17 -0.04 0.00 0.04 0.00 0.00 61.00 61.44 2fug s PRO 80 Cb -0.04 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2fug s PRO 80 CO 0.75 -2.67 -0.07 0.28 0.04 0.00 0.00 177.00 175.33 2fug n VAL 81 N -4.07 1.07 -4.23 -0.36 0.31 -1.26 -4.99 118.33 104.80 2fug n VAL 81 Ca 0.09 0.25 -0.26 0.00 -0.01 0.00 0.00 64.34 64.41 2fug n VAL 81 Cb 0.59 -1.71 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 2fug n VAL 81 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2fug s SER 82 N -5.87 4.34 0.02 4.52 1.04 -1.26 -1.35 113.70 115.13 2fug s SER 82 Ca -0.07 -1.18 -0.15 0.00 0.48 0.00 0.00 55.95 55.03 2fug s SER 82 Cb 0.01 -0.32 -0.08 0.00 0.10 0.00 0.00 66.02 65.74 2fug s SER 82 CO 0.09 -0.60 1.13 0.00 0.98 0.00 0.00 173.24 174.84 2fug h ALA 83 N 1.41 -1.05 -3.00 5.32 0.00 -1.87 -3.46 119.26 116.61 2fug h ALA 83 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2fug h ALA 83 Cb 1.26 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2fug h ALA 83 CO 0.71 -1.01 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2fug n GLY 84 N -0.98 -2.29 0.74 0.00 0.00 -1.26 -4.86 105.19 96.55 2fug n GLY 84 Ca -0.07 -0.76 0.09 0.00 0.00 0.00 0.00 46.02 45.28 2fug n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2fug n GLU 85 N -0.81 1.96 -4.14 1.61 0.28 -1.26 -4.80 120.64 113.47 2fug n GLU 85 Ca 0.00 -1.46 -0.15 0.00 -0.16 0.00 0.00 57.16 55.38 2fug n GLU 85 Cb 0.00 -1.39 -0.14 0.00 1.43 0.00 0.00 31.44 31.33 2fug n GLU 85 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2fug s ARG 86 N -1.61 0.40 0.10 3.44 3.52 -1.26 -2.31 118.95 121.23 2fug s ARG 86 Ca 0.32 -0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 55.70 2fug s ARG 86 Cb 0.17 -0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 2fug s ARG 86 CO 0.25 0.10 0.06 1.52 -0.81 0.00 0.00 175.30 176.42 2fug s TYR 87 N -0.17 0.62 -0.63 5.12 -0.85 -0.86 -4.18 117.35 116.40 2fug s TYR 87 Ca 0.01 -1.06 -0.26 0.00 -0.52 0.00 0.00 57.07 55.24 2fug s TYR 87 Cb -0.02 -0.36 0.04 0.00 0.38 0.00 0.00 41.96 41.99 2fug s TYR 87 CO -0.00 -0.49 1.15 0.00 -1.52 0.00 0.00 175.55 174.68 2fug s ALA 88 N -3.97 2.97 0.03 9.51 0.00 -1.26 -0.54 121.76 128.50 2fug s ALA 88 Ca 0.15 -1.16 -0.22 0.00 0.00 0.00 0.00 51.96 50.73 2fug s ALA 88 Cb 0.07 -4.02 -0.15 0.00 0.00 0.00 0.00 23.12 19.01 2fug s ALA 88 CO -0.04 -2.80 1.40 -0.22 0.00 0.00 0.00 175.76 174.11 2fug h LYS 89 N 9.64 0.20 -4.55 0.00 3.64 -1.18 -3.43 116.57 120.89 2fug h LYS 89 Ca -0.26 -0.08 -0.55 0.00 -1.27 0.00 0.00 60.65 58.49 2fug h LYS 89 Cb 1.06 -0.01 -0.35 0.00 -0.41 0.00 0.00 32.23 32.52 2fug h LYS 89 CO 1.19 0.52 -0.82 0.08 -2.27 0.00 0.00 179.45 178.16 2fug s VAL 90 N -4.67 1.27 -0.24 2.00 1.01 -0.32 -4.99 120.40 114.46 2fug s VAL 90 Ca -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 2fug s VAL 90 Cb 0.04 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.32 2fug s VAL 90 CO 0.71 0.40 0.07 -0.47 0.00 0.00 0.00 175.10 175.81 2fug s TYR 91 N 1.09 1.08 0.04 5.22 5.04 -1.26 -0.26 117.35 128.30 2fug s TYR 91 Ca -0.06 -1.10 0.07 0.00 -2.44 0.00 0.00 57.07 53.54 2fug s TYR 91 Cb -0.14 -1.20 -0.02 0.00 0.35 0.00 0.00 41.96 40.94 2fug s TYR 91 CO -0.02 -0.72 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.07 2fug s GLU 92 N 1.84 1.28 -0.09 4.97 2.02 -0.63 -2.47 118.70 125.61 2fug s GLU 92 Ca 0.04 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.14 2fug s GLU 92 Cb -0.17 -1.38 0.02 0.00 0.10 0.00 0.00 34.13 32.71 2fug s GLU 92 CO -0.18 0.35 -0.10 0.42 0.02 0.00 0.00 175.26 175.78 2fug s ILE 93 N -0.81 1.06 -1.33 -1.63 1.01 -0.44 -1.32 121.20 117.75 2fug s ILE 93 Ca 0.06 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 2fug s ILE 93 Cb -0.09 -1.03 0.09 0.00 0.01 0.00 0.00 42.46 41.45 2fug s ILE 93 CO 0.02 0.36 1.83 -3.20 0.00 0.00 0.00 174.94 173.95 2fug n ASN 94 N 4.42 4.72 0.18 3.58 5.15 -0.06 -1.22 115.26 132.02 2fug n ASN 94 Ca -0.18 -2.93 0.02 0.00 -0.60 0.00 0.00 54.58 50.90 2fug n ASN 94 Cb 0.51 -1.66 0.03 0.00 -0.53 0.00 0.00 39.78 38.13 2fug n ASN 94 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2fug n MET 95 N 6.76 0.02 0.09 1.20 2.81 -0.34 0.56 117.12 128.21 2fug n MET 95 Ca 0.47 0.64 -0.23 0.00 -1.81 0.00 0.00 57.70 56.76 2fug n MET 95 Cb 0.42 -1.70 -0.15 0.00 -0.71 0.00 0.00 33.22 31.08 2fug n MET 95 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2fug h LEU 96 N 0.00 0.65 -0.92 4.03 3.38 -1.89 -3.31 115.31 117.25 2fug h LEU 96 Ca 0.04 -0.92 -0.09 0.00 0.09 0.00 0.00 57.88 56.99 2fug h LEU 96 Cb 1.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2fug h LEU 96 CO -0.00 1.71 -0.45 -0.09 0.09 0.00 0.00 178.44 179.70 2fug h ARG 97 N 0.02 0.00 -6.95 1.13 9.65 -0.27 -3.45 114.38 114.51 2fug h ARG 97 Ca -0.29 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.03 2fug h ARG 97 Cb 2.04 0.00 0.14 0.00 -1.39 0.00 0.00 29.97 30.75 2fug h ARG 97 CO 0.19 0.45 0.51 0.00 2.80 0.00 0.00 179.97 183.92 2fug n ILE 99 N -0.87 0.16 -3.48 0.00 0.13 -1.26 -5.00 119.36 109.04 2fug n ILE 99 Ca 0.10 -0.58 -0.19 0.00 -1.10 0.00 0.00 62.75 60.97 2fug n ILE 99 Cb 0.43 0.99 0.02 0.00 -0.84 0.00 0.00 39.64 40.25 2fug n ILE 99 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 2fug n PHE 100 N 0.17 -2.31 -3.79 9.51 3.01 -1.26 -4.97 117.46 117.82 2fug n PHE 100 Ca 0.03 0.78 -0.30 0.00 1.01 0.00 0.00 57.45 58.97 2fug n PHE 100 Cb 0.14 -3.56 -0.14 0.00 -0.01 0.00 0.00 39.48 35.90 2fug n PHE 100 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2fug n GLY 102 N 3.94 0.00 0.02 0.00 0.00 -1.26 -4.02 105.19 103.88 2fug n GLY 102 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2fug n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fug n LEU 103 N -1.72 -0.02 0.39 0.99 4.77 -1.26 -0.02 117.00 120.13 2fug n LEU 103 Ca 0.00 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 2fug n LEU 103 Cb 0.00 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 2fug n LEU 103 CO 0.00 -0.12 0.47 0.00 -1.33 0.00 0.00 177.39 176.41 2fug h GLU 105 N -1.20 0.37 0.44 0.00 4.81 -0.65 -0.17 114.58 118.18 2fug h GLU 105 Ca -0.10 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2fug h GLU 105 Cb 0.79 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2fug h GLU 105 CO 0.17 0.24 -0.21 1.49 -0.73 0.00 0.00 179.01 179.97 2fug h GLU 106 N 0.38 -0.57 -0.83 1.92 4.81 -0.75 -3.19 114.58 116.34 2fug h GLU 106 Ca 0.70 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 60.19 2fug h GLU 106 Cb 1.62 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 31.08 2fug h GLU 106 CO -0.52 -0.38 0.58 0.00 -0.73 0.00 0.00 179.01 177.95 2fug h ALA 107 N -1.65 2.50 -1.55 2.92 0.00 0.14 -3.43 119.26 118.18 2fug h ALA 107 Ca -0.06 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.17 2fug h ALA 107 Cb 0.46 0.02 0.08 0.00 0.00 0.00 0.00 17.79 18.34 2fug h ALA 107 CO 0.10 -0.75 0.15 0.00 0.00 0.00 0.00 179.25 178.75 2fug n PRO 109 N 1.64 2.19 -0.00 0.00 -0.02 -1.26 -4.39 135.00 133.15 2fug n PRO 109 Ca 0.16 -1.74 0.01 0.00 -2.02 0.00 0.00 63.50 59.90 2fug n PRO 109 Cb 0.22 -1.47 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 2fug n PRO 109 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fug n THR 110 N 1.06 0.01 -0.68 3.45 -2.24 -1.26 -5.01 114.28 109.61 2fug n THR 110 Ca 0.16 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2fug n THR 110 Cb 0.53 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 2fug n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fug n GLY 111 N 2.45 0.62 0.00 3.38 0.00 -1.26 -4.93 105.19 105.44 2fug n GLY 111 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2fug n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug n ALA 112 N 0.03 -0.35 -2.46 4.61 0.00 -1.26 -4.63 120.51 116.45 2fug n ALA 112 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2fug n ALA 112 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2fug n ALA 112 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2fug s ILE 113 N -2.36 4.27 0.24 0.00 1.10 -1.26 -1.36 121.20 121.83 2fug s ILE 113 Ca 0.00 1.58 0.01 0.00 -0.51 0.00 0.00 60.65 61.74 2fug s ILE 113 Cb 0.00 -4.02 -0.05 0.00 0.15 0.00 0.00 42.46 38.54 2fug s ILE 113 CO 0.00 -0.03 0.08 -0.69 -2.11 0.00 0.00 174.94 172.19 2fug s VAL 114 N 2.44 0.57 -0.42 4.00 1.01 -0.33 -4.40 120.40 123.28 2fug s VAL 114 Ca 0.55 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.38 2fug s VAL 114 Cb -0.24 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2fug s VAL 114 CO 0.20 -0.11 0.34 -0.76 0.00 0.00 0.00 175.10 174.77 2fug s LEU 115 N -3.28 5.08 0.00 3.92 1.43 -1.26 -0.90 118.68 123.67 2fug s LEU 115 Ca 0.35 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 2fug s LEU 115 Cb 0.07 -2.21 0.14 0.00 0.03 0.00 0.00 46.19 44.22 2fug s LEU 115 CO 0.11 -0.49 0.32 0.61 0.23 0.00 0.00 176.35 177.13 2fug n GLY 116 N 5.15 -3.81 0.06 -3.19 0.00 0.19 -4.31 105.19 99.28 2fug n GLY 116 Ca -0.10 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 2fug n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fug n TYR 117 N -4.04 0.00 -1.14 1.61 4.01 -1.26 -0.84 117.16 115.51 2fug n TYR 117 Ca 0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.43 2fug n TYR 117 Cb 0.22 -0.62 0.05 0.00 -0.31 0.00 0.00 39.34 38.68 2fug n TYR 117 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2fug n ASP 118 N -2.42 -3.16 0.00 7.72 9.92 -1.26 -4.59 116.55 122.76 2fug n ASP 118 Ca -0.19 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 2fug n ASP 118 Cb 0.84 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 2fug n ASP 118 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2fug n PHE 119 N -2.34 0.00 -2.39 1.24 1.16 -1.26 -1.95 117.46 111.92 2fug n PHE 119 Ca 0.06 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.27 2fug n PHE 119 Cb 0.51 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 2fug n PHE 119 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2fug s GLU 120 N 0.00 3.42 0.00 3.97 2.02 -1.26 -4.54 118.70 122.31 2fug s GLU 120 Ca 0.00 -1.57 0.10 0.00 0.02 0.00 0.00 54.97 53.52 2fug s GLU 120 Cb 0.00 -5.41 0.16 0.00 0.10 0.00 0.00 34.13 28.99 2fug s GLU 120 CO 0.00 -2.84 1.06 0.00 0.02 0.00 0.00 175.26 173.50 2fug n MET 121 N 8.44 0.00 -1.93 1.61 0.00 -1.26 -4.69 117.12 119.29 2fug n MET 121 Ca 0.46 -1.37 -0.37 0.00 0.00 0.00 0.00 57.70 56.42 2fug n MET 121 Cb 0.47 -0.29 0.04 0.00 0.00 0.00 0.00 33.22 33.43 2fug n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2fug s ALA 122 N 0.00 2.61 0.13 3.17 0.00 -1.26 -4.84 121.76 121.57 2fug s ALA 122 Ca 0.13 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.22 2fug s ALA 122 Cb 0.15 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 2fug s ALA 122 CO -0.06 -1.26 0.16 -3.47 0.00 0.00 0.00 175.76 171.13 2fug n ASP 123 N -1.43 -0.43 -0.06 0.00 -0.08 -1.26 -4.85 116.55 108.45 2fug n ASP 123 Ca 0.13 -1.76 -0.05 0.00 -1.51 0.00 0.00 54.79 51.59 2fug n ASP 123 Cb 0.48 0.85 -0.02 0.00 2.34 0.00 0.00 41.12 44.77 2fug n ASP 123 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2fug n TYR 124 N -0.23 0.11 -3.07 -0.67 4.01 -1.26 -4.97 117.16 111.07 2fug n TYR 124 Ca 0.01 0.05 -0.40 0.00 -0.16 0.00 0.00 57.90 57.41 2fug n TYR 124 Cb 0.23 -0.38 -0.05 0.00 -0.31 0.00 0.00 39.34 38.83 2fug n TYR 124 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2fug s GLU 125 N -2.19 4.43 0.00 -0.72 2.02 -1.26 -4.99 118.70 115.98 2fug s GLU 125 Ca -0.18 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.65 2fug s GLU 125 Cb 0.02 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.81 2fug s GLU 125 CO 0.26 0.08 0.84 0.98 0.02 0.00 0.00 175.26 177.45 2fug n TYR 126 N 3.72 0.00 0.00 1.61 4.19 -1.26 -0.76 117.16 124.67 2fug n TYR 126 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 2fug n TYR 126 Cb 0.51 -0.34 0.00 0.00 0.49 0.00 0.00 39.34 40.00 2fug n TYR 126 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 2fug n SER 127 N -2.28 0.00 -1.28 2.98 3.41 -1.26 -0.13 113.62 115.06 2fug n SER 127 Ca 0.00 0.06 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 2fug n SER 127 Cb 0.00 -0.06 0.30 0.00 -0.26 0.00 0.00 64.21 64.19 2fug n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fug n ASP 128 N -0.86 4.37 -0.61 4.04 8.00 0.06 -4.15 116.55 127.40 2fug n ASP 128 Ca 0.00 -2.61 0.06 0.00 0.71 0.00 0.00 54.79 52.95 2fug n ASP 128 Cb 0.08 -0.53 0.16 0.00 -0.02 0.00 0.00 41.12 40.82 2fug n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2fug n LEU 129 N 0.48 3.05 -4.28 0.64 4.77 0.81 -4.83 117.00 117.64 2fug n LEU 129 Ca 0.22 -2.32 -0.45 0.00 -0.03 0.00 0.00 56.01 53.44 2fug n LEU 129 Cb 0.86 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2fug n LEU 129 CO 0.20 0.69 0.16 0.54 -1.33 0.00 0.00 177.39 177.65 2fug s VAL 130 N -1.56 5.01 0.41 4.08 0.11 -1.26 -1.20 120.40 125.99 2fug s VAL 130 Ca 0.26 -1.84 -0.25 0.00 -2.93 0.00 0.00 61.98 57.22 2fug s VAL 130 Cb 0.17 -4.20 -0.08 0.00 -1.53 0.00 0.00 36.38 30.74 2fug s VAL 130 CO 0.12 -0.88 1.22 -0.31 -3.33 0.00 0.00 175.10 171.91 2fug s TYR 131 N 1.17 2.95 0.00 1.54 1.51 -0.36 -4.78 117.35 119.37 2fug s TYR 131 Ca 0.07 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.64 2fug s TYR 131 Cb -0.25 -3.49 0.00 0.00 -0.11 0.00 0.00 41.96 38.11 2fug s TYR 131 CO -0.01 -1.62 0.00 0.41 -1.11 0.00 0.00 175.55 173.22 2fug n GLY 132 N 0.64 2.55 0.24 0.71 0.00 -1.26 -1.33 105.19 106.74 2fug n GLY 132 Ca 0.05 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 2fug n GLY 132 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2fug h LYS 133 N 0.00 -0.50 -0.62 1.61 3.64 -1.89 -2.73 116.57 116.09 2fug h LYS 133 Ca 0.00 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.59 2fug h LYS 133 Cb 0.00 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2fug h LYS 133 CO 0.00 -0.20 0.55 1.05 -2.27 0.00 0.00 179.45 178.59 2fug h GLU 134 N -0.84 0.00 -0.00 1.90 9.09 -1.96 0.45 114.58 123.22 2fug h GLU 134 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 2fug h GLU 134 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 2fug h GLU 134 CO 0.09 0.00 -0.12 -0.25 0.05 0.00 0.00 179.01 178.78 2fug n ASP 135 N -3.91 0.37 0.00 3.06 8.00 -1.04 -4.38 116.55 118.65 2fug n ASP 135 Ca 0.12 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.24 2fug n ASP 135 Cb 0.79 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2fug n ASP 135 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2fug n MET 136 N -1.10 3.75 -0.69 -1.24 2.81 0.15 -4.84 117.12 115.97 2fug n MET 136 Ca 0.13 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.70 2fug n MET 136 Cb 0.29 -0.53 0.16 0.00 -0.71 0.00 0.00 33.22 32.43 2fug n MET 136 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2fug n LEU 137 N -0.82 -1.60 0.14 4.03 4.32 -1.01 -1.75 117.00 120.30 2fug n LEU 137 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 2fug n LEU 137 Cb 0.00 -1.05 0.31 0.00 -1.62 0.00 0.00 43.42 41.05 2fug n LEU 137 CO 0.00 -3.24 0.82 -0.37 -1.22 0.00 0.00 177.39 173.39 2fug h VAL 138 N -1.98 0.00 0.00 4.08 -1.51 -1.75 -3.04 116.25 112.06 2fug h VAL 138 Ca -0.51 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 2fug h VAL 138 Cb 1.34 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 2fug h VAL 138 CO 0.38 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.19 2fug n ASP 139 N -2.56 0.42 -4.45 4.19 8.00 -1.26 -4.55 116.55 116.33 2fug n ASP 139 Ca 0.05 0.60 -0.29 0.00 0.71 0.00 0.00 54.79 55.85 2fug n ASP 139 Cb 0.47 -0.69 0.16 0.00 -0.02 0.00 0.00 41.12 41.04 2fug n ASP 139 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2fug s VAL 140 N -3.18 1.95 0.00 2.53 0.11 -1.15 -5.07 120.40 115.59 2fug s VAL 140 Ca 0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2fug s VAL 140 Cb 0.10 -2.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 2fug s VAL 140 CO 0.37 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.69 2fug n VAL 141 N -3.80 0.00 -0.31 2.04 3.14 -1.26 -4.84 118.33 113.30 2fug n VAL 141 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2fug n VAL 141 Cb 0.60 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 2fug n VAL 141 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fug n GLY 142 N 2.57 -0.07 3.79 7.55 0.00 -1.26 -5.03 105.19 112.75 2fug n GLY 142 Ca 0.00 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 2fug n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fug s THR 143 N 0.37 3.07 0.24 2.61 -4.23 -1.26 -4.86 115.64 111.58 2fug s THR 143 Ca 0.00 -1.55 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 2fug s THR 143 Cb 0.00 -3.04 0.33 0.00 1.34 0.00 0.00 72.50 71.13 2fug s THR 143 CO 0.00 -0.14 1.58 0.50 -0.54 0.00 0.00 174.62 176.02 2fug h LYS 144 N 1.38 -0.02 -0.01 3.99 3.64 -1.93 0.03 116.57 123.66 2fug h LYS 144 Ca -0.44 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.79 2fug h LYS 144 Cb 1.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2fug h LYS 144 CO 0.62 -0.01 -0.71 -1.00 -2.27 0.00 0.00 179.45 176.07 2fug h PRO 145 N -0.02 0.07 -0.09 1.90 0.13 -1.88 -2.65 132.00 129.47 2fug h PRO 145 Ca 0.39 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.37 2fug h PRO 145 Cb 0.62 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2fug h PRO 145 CO -0.88 0.75 -0.27 1.96 -0.23 0.00 0.00 178.00 179.33 2fug h GLN 146 N 0.05 0.33 -0.15 0.86 4.20 -1.41 -3.10 115.11 115.90 2fug h GLN 146 Ca -0.01 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 2fug h GLN 146 Cb 1.26 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2fug h GLN 146 CO 0.10 0.86 -0.36 0.00 -0.67 0.00 0.00 178.83 178.76 2fug h ARG 147 N -0.13 0.31 0.30 1.46 3.08 -1.16 -2.67 114.38 115.57 2fug h ARG 147 Ca -0.01 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2fug h ARG 147 Cb 0.89 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2fug h ARG 147 CO 0.06 0.63 -0.25 -0.09 -1.07 0.00 0.00 179.97 179.24 2fug h ARG 148 N 0.26 -0.52 -0.75 0.04 2.43 -1.45 -0.95 114.38 113.44 2fug h ARG 148 Ca 0.03 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2fug h ARG 148 Cb 0.76 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2fug h ARG 148 CO 0.06 -0.35 0.49 0.93 -1.51 0.00 0.00 179.97 179.59 2fug h GLU 149 N -0.54 0.94 0.00 0.20 5.08 -1.63 0.81 114.58 119.44 2fug h GLU 149 Ca -0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2fug h GLU 149 Cb 0.46 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2fug h GLU 149 CO -0.00 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 2fug n ALA 150 N -2.32 1.41 -0.06 3.43 0.00 -1.01 -1.49 120.51 120.47 2fug n ALA 150 Ca 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2fug n ALA 150 Cb 0.06 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 2fug n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2fug h LYS 151 N 0.00 -0.00 0.08 0.00 1.63 0.59 -3.12 116.57 115.75 2fug h LYS 151 Ca 0.00 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.55 2fug h LYS 151 Cb 0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2fug h LYS 151 CO 0.00 0.93 -1.13 0.07 -3.45 0.00 0.00 179.45 175.87 2fug h ARG 152 N -0.95 0.20 -0.91 1.90 0.11 -1.55 -3.26 114.38 109.91 2fug h ARG 152 Ca -0.00 -0.33 0.14 0.00 0.10 0.00 0.00 59.98 59.89 2fug h ARG 152 Cb 0.93 0.12 -0.07 0.00 1.11 0.00 0.00 29.97 32.06 2fug h ARG 152 CO 0.00 1.14 0.59 1.15 0.10 0.00 0.00 179.97 182.94 2fug h THR 153 N 0.07 0.85 -0.31 0.08 2.02 -1.39 -3.45 112.91 110.78 2fug h THR 153 Ca -0.09 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 2fug h THR 153 Cb 1.86 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 2fug h THR 153 CO 0.18 0.14 -0.12 0.61 0.37 0.00 0.00 175.52 176.69 2fug n GLY 154 N -1.41 0.85 3.00 2.16 0.00 -1.18 -4.99 105.19 103.63 2fug n GLY 154 Ca 0.18 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2fug n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fug s LYS 155 N -2.22 1.82 1.02 1.61 2.47 -1.26 -5.11 119.74 118.07 2fug s LYS 155 Ca 0.00 -0.42 -0.23 0.00 -1.56 0.00 0.00 55.97 53.76 2fug s LYS 155 Cb 0.00 -1.60 -0.12 0.00 -1.46 0.00 0.00 37.83 34.65 2fug s LYS 155 CO 0.00 -0.08 -0.98 -2.30 0.16 0.00 0.00 175.35 172.15 2fug n PRO 156 N 4.22 -0.27 -3.22 4.03 -0.02 -1.26 -4.77 135.00 133.71 2fug n PRO 156 Ca -0.19 -0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 60.79 2fug n PRO 156 Cb 0.51 -1.17 -0.08 0.00 -0.02 0.00 0.00 33.50 32.74 2fug n PRO 156 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2fug s VAL 157 N -2.07 4.96 -0.52 -1.45 -7.23 -1.26 -5.02 120.40 107.82 2fug s VAL 157 Ca 0.42 -0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 60.36 2fug s VAL 157 Cb -0.03 -4.10 0.07 0.00 0.56 0.00 0.00 36.38 32.88 2fug s VAL 157 CO 0.71 -0.47 0.63 -0.54 -0.31 0.00 0.00 175.10 175.12 2fug s LYS 158 N 2.48 3.10 0.00 4.82 1.02 -1.26 -4.98 119.74 124.92 2fug s LYS 158 Ca 0.18 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 2fug s LYS 158 Cb -0.15 -4.13 -0.05 0.00 -0.52 0.00 0.00 37.83 32.98 2fug s LYS 158 CO 0.16 -1.26 1.24 0.14 -0.92 0.00 0.00 175.35 174.70 2fug s VAL 159 N 2.58 4.05 -0.45 3.17 -7.23 -1.26 -4.93 120.40 116.33 2fug s VAL 159 Ca 0.14 1.43 0.00 0.00 -1.81 0.00 0.00 61.98 61.74 2fug s VAL 159 Cb -0.20 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.82 2fug s VAL 159 CO 0.11 0.04 0.33 0.61 -0.31 0.00 0.00 175.10 175.88 2fug n GLY 160 N 3.36 0.76 3.31 2.32 0.00 -1.26 -4.80 105.19 108.88 2fug n GLY 160 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2fug n GLY 160 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fug s TYR 161 N -0.13 1.20 -0.18 1.61 -0.85 -1.26 0.02 117.35 117.76 2fug s TYR 161 Ca 0.00 -1.36 -0.27 0.00 -0.52 0.00 0.00 57.07 54.92 2fug s TYR 161 Cb 0.00 -0.44 0.07 0.00 0.38 0.00 0.00 41.96 41.97 2fug s TYR 161 CO 0.00 -0.81 0.71 0.14 -1.52 0.00 0.00 175.55 174.07 2fug s VAL 162 N -3.81 0.00 0.18 -3.49 -7.23 0.37 -4.67 120.40 101.75 2fug s VAL 162 Ca 0.36 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.61 2fug s VAL 162 Cb 0.04 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2fug s VAL 162 CO 0.17 0.00 -0.15 0.68 -0.31 0.00 0.00 175.10 175.49 2fug s VAL 163 N -0.26 1.64 0.46 1.32 -7.23 -1.17 -1.41 120.40 113.76 2fug s VAL 163 Ca -0.04 -2.08 0.20 0.00 -1.81 0.00 0.00 61.98 58.25 2fug s VAL 163 Cb -0.03 -1.92 0.24 0.00 0.56 0.00 0.00 36.38 35.23 2fug s VAL 163 CO 0.04 -0.54 2.06 1.55 -0.31 0.00 0.00 175.10 177.91 2fug h PRO 164 N 2.83 0.00 -1.15 4.82 0.13 -1.80 -2.62 132.00 134.21 2fug h PRO 164 Ca -0.39 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.09 2fug h PRO 164 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 2fug h PRO 164 CO 0.59 0.13 0.94 1.52 -0.23 0.00 0.00 178.00 180.95 2fug s TYR 165 N -4.54 -0.03 0.15 1.56 -0.85 -1.26 -4.54 117.35 107.85 2fug s TYR 165 Ca -0.04 0.00 -0.29 0.00 -0.52 0.00 0.00 57.07 56.22 2fug s TYR 165 Cb 0.15 0.51 -0.07 0.00 0.38 0.00 0.00 41.96 42.93 2fug s TYR 165 CO 0.64 -0.08 0.91 0.14 -1.52 0.00 0.00 175.55 175.65 2fug s VAL 166 N -2.13 4.36 0.83 -3.49 -7.23 -1.26 -4.69 120.40 106.79 2fug s VAL 166 Ca 0.13 1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 62.16 2fug s VAL 166 Cb 0.03 -4.28 0.07 0.00 0.56 0.00 0.00 36.38 32.75 2fug s VAL 166 CO -0.04 0.41 0.96 0.54 -0.31 0.00 0.00 175.10 176.65 2fug n ARG 167 N 2.21 0.04 0.14 4.82 1.74 -1.26 -4.91 116.66 119.44 2fug n ARG 167 Ca -0.01 0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 2fug n ARG 167 Cb 0.48 -2.24 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 2fug n ARG 167 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2fug h PRO 168 N -1.06 -0.29 -0.79 5.56 0.11 -2.01 -3.11 132.00 130.39 2fug h PRO 168 Ca -0.45 0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.87 2fug h PRO 168 Cb 1.30 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.35 2fug h PRO 168 CO 0.43 -0.10 0.15 0.93 -0.21 0.00 0.00 178.00 179.21 2fug h GLU 169 N -0.44 0.20 -0.70 1.05 3.07 -2.00 -0.20 114.58 115.56 2fug h GLU 169 Ca -0.03 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2fug h GLU 169 Cb 0.33 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2fug h GLU 169 CO 0.05 0.13 0.00 1.28 -1.40 0.00 0.00 179.01 179.07 2fug n LEU 170 N -5.23 0.70 -4.67 1.33 4.77 -1.18 -4.92 117.00 107.82 2fug n LEU 170 Ca 0.17 -0.35 -0.57 0.00 -0.03 0.00 0.00 56.01 55.22 2fug n LEU 170 Cb 0.54 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 2fug n LEU 170 CO 0.08 0.18 1.13 1.21 -1.33 0.00 0.00 177.39 178.66 2fug n GLU 171 N -0.03 0.96 0.00 3.23 4.07 -0.09 -1.15 120.64 127.63 2fug n GLU 171 Ca 0.00 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 2fug n GLU 171 Cb 0.18 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 2fug n GLU 171 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2fug n GLY 172 N 3.50 2.19 3.68 8.31 0.00 -1.26 -4.83 105.19 116.78 2fug n GLY 172 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2fug n GLY 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fug s PHE 173 N -2.27 3.11 0.19 1.61 5.36 -0.30 -4.86 117.98 120.82 2fug s PHE 173 Ca 0.00 1.18 -0.26 0.00 -0.96 0.00 0.00 56.93 56.89 2fug s PHE 173 Cb 0.00 -3.43 -0.08 0.00 -0.34 0.00 0.00 43.02 39.17 2fug s PHE 173 CO 0.00 -1.34 0.81 0.15 -1.46 0.00 0.00 175.22 173.38 2fug s LYS 174 N 2.61 4.61 -0.01 10.12 3.01 -1.26 -5.00 119.74 133.82 2fug s LYS 174 Ca 0.55 1.21 -0.30 0.00 -1.01 0.00 0.00 55.97 56.42 2fug s LYS 174 Cb -0.23 -3.22 0.12 0.00 -1.01 0.00 0.00 37.83 33.49 2fug s LYS 174 CO 0.19 0.54 1.26 0.00 0.51 0.00 0.00 175.35 177.85 2fug s ALA 175 N -1.20 -2.20 -1.10 5.17 0.00 -1.26 -5.04 121.76 116.14 2fug s ALA 175 Ca 0.38 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 2fug s ALA 175 Cb -0.23 0.37 -0.08 0.00 0.00 0.00 0.00 23.12 23.18 2fug s ALA 175 CO 0.27 -1.04 1.92 -0.35 0.00 0.00 0.00 175.76 176.56 2fug n PRO 176 N -0.48 1.91 0.25 0.00 -0.04 -1.26 -4.72 135.00 130.66 2fug n PRO 176 Ca -0.08 -2.41 0.17 0.00 -0.04 0.00 0.00 63.50 61.14 2fug n PRO 176 Cb 0.63 -3.41 0.76 0.00 -0.04 0.00 0.00 33.50 31.44 2fug n PRO 176 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2fug h THR 177 N 5.38 0.00 -0.52 0.52 1.35 -1.95 -3.10 112.91 114.58 2fug h THR 177 Ca 0.34 -0.30 0.21 0.00 -0.55 0.00 0.00 66.41 66.11 2fug h THR 177 Cb 0.82 1.20 -0.09 0.00 -1.73 0.00 0.00 68.15 68.35 2fug h THR 177 CO 1.54 0.00 0.24 -0.62 -0.25 0.00 0.00 175.52 176.43 2fug n GLU 178 N -2.85 -0.03 0.00 4.72 4.71 -1.26 -4.35 120.64 121.58 2fug n GLU 178 Ca -0.00 0.73 0.00 0.00 -0.01 0.00 0.00 57.16 57.88 2fug n GLU 178 Cb 0.22 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 2fug n GLU 178 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63