#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 2.09 -0.09 -0.72 -0.02 -1.26 -4.15 135.00 130.84 2fug n PRO 27 Ca 0.00 -1.67 -0.10 0.00 -2.02 0.00 0.00 63.50 59.71 2fug n PRO 27 Cb 0.00 -1.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.00 0.87 -4.32 2.55 8.00 -1.26 -4.82 116.55 118.56 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 0.55 0.69 -0.07 0.00 -0.02 0.00 0.00 41.12 42.26 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 -2.44 3.53 0.35 2.24 0.00 -1.26 -5.06 121.76 119.12 2fug s ALA 29 Ca -0.13 -2.33 -0.19 0.00 0.00 0.00 0.00 51.96 49.32 2fug s ALA 29 Cb 0.06 -3.05 -0.14 0.00 0.00 0.00 0.00 23.12 19.99 2fug s ALA 29 CO 0.70 -1.84 0.08 -0.35 0.00 0.00 0.00 175.76 174.34 2fug n PRO 30 N 5.14 0.00 -2.90 0.00 -0.04 -1.26 -4.91 135.00 131.04 2fug n PRO 30 Ca -0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 2fug n PRO 30 Cb 0.42 -0.87 -0.05 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.46 4.51 -0.57 0.52 1.01 0.16 -4.82 120.40 119.74 2fug s VAL 31 Ca 0.52 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 64.20 2fug s VAL 31 Cb -0.56 -4.20 0.15 0.00 0.00 0.00 0.00 36.38 31.77 2fug s VAL 31 CO 0.55 0.41 0.46 0.00 0.00 0.00 0.00 175.10 176.52 2fug s ALA 32 N -0.44 3.59 0.15 5.51 0.00 -1.26 0.16 121.76 129.48 2fug s ALA 32 Ca 0.40 -2.79 0.03 0.00 0.00 0.00 0.00 51.96 49.60 2fug s ALA 32 Cb -0.22 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2fug s ALA 32 CO 0.26 -2.02 0.26 -0.48 0.00 0.00 0.00 175.76 173.78 2fug s LEU 33 N 0.96 4.25 0.46 0.00 0.05 -0.80 -4.95 118.68 118.65 2fug s LEU 33 Ca 0.09 0.12 -0.21 0.00 0.05 0.00 0.00 54.13 54.18 2fug s LEU 33 Cb -0.23 -2.82 -0.09 0.00 -2.05 0.00 0.00 46.19 41.00 2fug s LEU 33 CO -0.02 0.05 1.02 -0.54 -0.55 0.00 0.00 176.35 176.31 2fug s LYS 34 N -3.24 3.94 0.75 1.48 -0.14 -1.26 -4.30 119.74 116.97 2fug s LYS 34 Ca 0.34 1.34 -0.14 0.00 -1.36 0.00 0.00 55.97 56.15 2fug s LYS 34 Cb -0.11 -2.19 0.05 0.00 -1.68 0.00 0.00 37.83 33.90 2fug s LYS 34 CO 0.28 -0.31 1.17 -1.25 -0.76 0.00 0.00 175.35 174.47 2fug s PRO 35 N -3.10 2.13 0.00 -1.68 0.04 -1.26 -2.20 135.00 128.93 2fug s PRO 35 Ca 0.65 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2fug s PRO 35 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2fug s PRO 35 CO 0.20 -1.81 0.00 -2.13 0.04 0.00 0.00 177.00 173.30 2fug n ARG 36 N -2.95 0.00 -2.27 4.56 0.63 -1.26 -5.02 116.66 110.34 2fug n ARG 36 Ca 0.12 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.64 2fug n ARG 36 Cb 0.51 -1.03 -0.03 0.00 0.45 0.00 0.00 32.46 32.36 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 -2.81 3.32 -0.43 -0.14 5.36 -0.93 -4.93 117.98 117.40 2fug s PHE 37 Ca 0.00 1.26 -0.28 0.00 -0.96 0.00 0.00 56.93 56.95 2fug s PHE 37 Cb 0.00 -3.55 -0.01 0.00 -0.34 0.00 0.00 43.02 39.13 2fug s PHE 37 CO 0.00 -1.69 1.63 -1.01 -1.46 0.00 0.00 175.22 172.69 2fug s HIS 38 N 0.24 2.04 0.35 10.12 3.76 -1.26 -4.69 115.29 125.85 2fug s HIS 38 Ca 0.57 0.64 0.03 0.00 -0.15 0.00 0.00 55.06 56.15 2fug s HIS 38 Cb -0.35 -4.22 -0.01 0.00 1.11 0.00 0.00 32.58 29.11 2fug s HIS 38 CO 0.36 -2.41 0.12 0.41 -0.85 0.00 0.00 174.74 172.37 2fug n GLY 39 N 5.34 3.38 3.50 -2.22 0.00 -0.20 -4.98 105.19 110.01 2fug n GLY 39 Ca 0.19 -2.10 -0.56 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.80 0.18 -1.81 1.61 0.63 -0.38 -2.95 116.66 113.13 2fug n ARG 40 Ca -0.06 0.06 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 2fug n ARG 40 Cb 0.52 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.95 2fug n ARG 40 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2fug s HIS 41 N -0.13 2.51 -0.01 -0.14 3.76 -1.26 0.96 115.29 120.98 2fug s HIS 41 Ca 0.85 1.23 0.02 0.00 -0.15 0.00 0.00 55.06 57.01 2fug s HIS 41 Cb -1.16 -3.95 -0.00 0.00 1.11 0.00 0.00 32.58 28.58 2fug s HIS 41 CO 0.56 -2.93 -0.07 0.14 -0.85 0.00 0.00 174.74 171.58 2fug s VAL 42 N -1.17 0.59 -0.21 -0.90 -7.23 -0.48 -4.72 120.40 106.27 2fug s VAL 42 Ca 0.58 -0.30 -0.10 0.00 -1.81 0.00 0.00 61.98 60.35 2fug s VAL 42 Cb -0.45 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 2fug s VAL 42 CO 0.59 0.17 0.14 -0.76 -0.31 0.00 0.00 175.10 174.93 2fug s LEU 43 N -0.05 4.17 0.40 1.32 1.43 -0.91 -1.38 118.68 123.67 2fug s LEU 43 Ca 0.01 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2fug s LEU 43 Cb -0.04 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 2fug s LEU 43 CO -0.00 0.14 0.59 0.42 0.23 0.00 0.00 176.35 177.73 2fug s THR 44 N 0.61 4.25 0.24 5.49 -4.23 0.43 -2.05 115.64 120.37 2fug s THR 44 Ca 0.08 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 2fug s THR 44 Cb -0.12 -3.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 2fug s THR 44 CO 0.00 -0.33 -0.16 -0.13 -0.54 0.00 0.00 174.62 173.46 2fug s ARG 45 N -4.40 1.48 0.61 3.99 0.52 -1.26 -1.94 118.95 117.95 2fug s ARG 45 Ca 0.46 -1.67 -0.04 0.00 -0.52 0.00 0.00 55.73 53.95 2fug s ARG 45 Cb -0.10 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 34.01 2fug s ARG 45 CO 0.36 0.24 0.89 -1.01 0.02 0.00 0.00 175.30 175.79 2fug s HIS 46 N -2.78 3.05 0.40 -0.53 3.76 -0.47 -4.82 115.29 113.90 2fug s HIS 46 Ca 0.26 0.39 0.08 0.00 -0.15 0.00 0.00 55.06 55.64 2fug s HIS 46 Cb -0.02 -2.85 0.87 0.00 1.11 0.00 0.00 32.58 31.68 2fug s HIS 46 CO 0.10 -0.98 2.02 -1.35 -0.85 0.00 0.00 174.74 173.68 2fug h PRO 47 N -0.21 0.56 -0.00 8.40 0.11 -2.00 -0.07 132.00 138.78 2fug h PRO 47 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fug h PRO 47 Cb 1.28 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2fug h PRO 47 CO 0.58 0.37 0.09 -0.91 -0.21 0.00 0.00 178.00 177.93 2fug h ASN 48 N 0.58 0.00 0.00 -2.05 4.21 -2.05 -3.45 115.58 112.82 2fug h ASN 48 Ca 0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.73 2fug h ASN 48 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2fug h ASN 48 CO -0.06 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.69 2fug n GLY 49 N -1.13 0.72 3.89 2.83 0.00 -0.04 -5.08 105.19 106.37 2fug n GLY 49 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 3.59 -0.03 0.99 2.01 -1.26 -4.83 118.68 119.15 2fug s LEU 50 Ca 0.00 1.14 -0.30 0.00 0.01 0.00 0.00 54.13 54.98 2fug s LEU 50 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 46.19 42.08 2fug s LEU 50 CO 0.00 -0.60 1.02 -1.61 1.01 0.00 0.00 176.35 176.17 2fug s GLU 51 N -4.57 4.49 0.26 1.70 2.02 -0.40 -1.37 118.70 120.83 2fug s GLU 51 Ca 0.51 1.45 -0.04 0.00 0.02 0.00 0.00 54.97 56.91 2fug s GLU 51 Cb -0.10 -3.49 0.36 0.00 0.10 0.00 0.00 34.13 31.00 2fug s GLU 51 CO 0.43 -0.18 1.89 0.87 0.02 0.00 0.00 175.26 178.29 2fug h LYS 52 N 6.94 1.17 -6.50 1.61 1.57 -1.71 -3.38 116.57 116.28 2fug h LYS 52 Ca -0.37 -0.07 -0.53 0.00 -1.87 0.00 0.00 60.65 57.81 2fug h LYS 52 Cb 1.19 -0.26 0.04 0.00 0.08 0.00 0.00 32.23 33.27 2fug h LYS 52 CO 0.80 0.78 1.13 0.00 -0.57 0.00 0.00 179.45 181.58 2fug n ILE 54 N 4.81 3.03 -4.38 0.00 -5.35 -1.26 -4.30 119.36 111.91 2fug n ILE 54 Ca 0.18 -4.35 -0.36 0.00 -0.27 0.00 0.00 62.75 57.95 2fug n ILE 54 Cb 0.38 -1.23 -0.09 0.00 -1.74 0.00 0.00 39.64 36.97 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 -0.59 -0.26 3.27 3.28 0.00 -1.26 -4.27 105.19 105.36 2fug n GLY 55 Ca 0.48 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 46.25 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 4.81 0.15 0.28 0.00 2.88 -1.26 -4.23 113.62 116.25 2fug n SER 57 Ca -0.12 -0.10 -0.11 0.00 -1.33 0.00 0.00 58.87 57.20 2fug n SER 57 Cb 0.44 -0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 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 1.92 -0.63 -0.97 2.46 4.07 -1.95 -1.64 115.31 118.59 2fug h LEU 58 Ca 0.00 0.02 0.26 0.00 0.08 0.00 0.00 57.88 58.24 2fug h LEU 58 Cb 0.05 0.16 -0.18 0.00 1.08 0.00 0.00 40.66 41.77 2fug h LEU 58 CO 0.00 -0.33 -0.02 0.00 -1.08 0.00 0.00 178.44 177.02 2fug h ALA 60 N 1.94 1.32 -0.16 0.00 0.00 -1.85 -2.47 119.26 118.03 2fug h ALA 60 Ca 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2fug h ALA 60 Cb 1.14 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2fug h ALA 60 CO -0.92 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.03 2fug h ALA 61 N 1.40 0.21 0.00 0.00 0.00 0.53 -2.66 119.26 118.75 2fug h ALA 61 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2fug h ALA 61 Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2fug h ALA 61 CO -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2fug h ALA 62 N 0.91 1.00 -2.56 0.00 0.00 -0.78 -3.44 119.26 114.40 2fug h ALA 62 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.44 2fug h ALA 62 Cb 0.17 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.00 2fug h ALA 62 CO -0.00 0.00 0.99 0.00 0.00 0.00 0.00 179.25 180.23 2fug h PRO 64 N 7.55 0.00 -0.06 0.00 0.13 -1.88 -3.29 132.00 134.45 2fug h PRO 64 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.93 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.70 2fug n ALA 65 N -2.05 2.44 -3.49 -0.56 0.00 -1.26 -4.99 120.51 110.60 2fug n ALA 65 Ca 0.04 -0.67 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 2fug n ALA 65 Cb 0.51 -0.42 0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 0.67 -2.43 0.13 0.00 4.01 -1.24 -4.92 117.16 113.38 2fug n TYR 66 Ca 0.08 0.97 0.08 0.00 -0.16 0.00 0.00 57.90 58.86 2fug n TYR 66 Cb 0.32 -5.06 0.25 0.00 -0.31 0.00 0.00 39.34 34.54 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 -4.44 2.69 -3.54 -0.72 0.00 -1.26 -4.88 120.51 108.35 2fug n ALA 67 Ca -0.18 -1.05 -0.24 0.00 0.00 0.00 0.00 53.44 51.97 2fug n ALA 67 Cb 0.63 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.53 0.99 -0.05 0.00 1.01 -1.26 -0.77 121.20 119.58 2fug s ILE 68 Ca 0.37 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2fug s ILE 68 Cb 0.21 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 2fug s ILE 68 CO 0.21 0.33 -0.25 -0.47 0.00 0.00 0.00 174.94 174.76 2fug s TYR 69 N 0.82 2.42 -0.01 3.97 6.14 -0.69 -4.84 117.35 125.16 2fug s TYR 69 Ca -0.12 -0.69 0.01 0.00 0.64 0.00 0.00 57.07 56.91 2fug s TYR 69 Cb -0.15 -1.58 0.01 0.00 0.42 0.00 0.00 41.96 40.65 2fug s TYR 69 CO 0.02 -0.19 -0.01 0.08 0.64 0.00 0.00 175.55 176.08 2fug s VAL 70 N -0.22 0.16 -0.08 3.14 1.01 -1.26 -1.78 120.40 121.36 2fug s VAL 70 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2fug s VAL 70 Cb -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2fug s VAL 70 CO 0.03 0.08 -0.20 -1.61 0.00 0.00 0.00 175.10 173.40 2fug s GLU 71 N 0.33 2.45 0.20 2.72 2.02 0.18 -4.97 118.70 121.63 2fug s GLU 71 Ca -0.03 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.28 2fug s GLU 71 Cb -0.05 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 2fug s GLU 71 CO -0.01 0.19 0.24 -1.25 0.02 0.00 0.00 175.26 174.45 2fug s PRO 72 N 0.28 3.14 0.07 0.39 0.04 -1.26 -0.81 135.00 136.85 2fug s PRO 72 Ca -0.13 -0.84 -0.00 0.00 0.04 0.00 0.00 61.00 60.07 2fug s PRO 72 Cb -0.16 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 2fug s PRO 72 CO 0.06 0.46 -0.04 0.00 0.04 0.00 0.00 177.00 177.51 2fug s ALA 73 N -1.91 0.69 -0.15 8.56 0.00 0.57 -4.64 121.76 124.89 2fug s ALA 73 Ca 0.33 -1.27 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 2fug s ALA 73 Cb -0.09 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 2fug s ALA 73 CO 0.26 -0.33 0.81 -2.00 0.00 0.00 0.00 175.76 174.50 2fug s GLU 74 N -3.89 4.33 0.33 0.00 2.12 -1.26 -1.62 118.70 118.70 2fug s GLU 74 Ca 0.09 0.99 -0.29 0.00 0.36 0.00 0.00 54.97 56.12 2fug s GLU 74 Cb 0.07 -3.55 -0.12 0.00 0.26 0.00 0.00 34.13 30.80 2fug s GLU 74 CO -0.08 -0.25 1.50 0.09 -0.54 0.00 0.00 175.26 175.99 2fug n ASN 75 N 4.93 3.65 -4.62 -1.70 3.02 -1.02 -4.92 115.26 114.60 2fug n ASN 75 Ca 0.03 1.19 -0.43 0.00 -0.03 0.00 0.00 54.58 55.34 2fug n ASN 75 Cb 0.49 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.06 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 0.11 6.77 0.20 6.41 -1.08 -1.26 -4.90 116.67 122.92 2fug s ASP 76 Ca 0.58 0.74 0.03 0.00 -0.52 0.00 0.00 52.55 53.39 2fug s ASP 76 Cb -0.50 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 38.96 2fug s ASP 76 CO 0.57 -1.03 0.96 -2.65 0.52 0.00 0.00 175.17 173.55 2fug n PRO 77 N 7.24 -0.05 -4.05 4.34 -0.02 -1.26 -3.30 135.00 137.91 2fug n PRO 77 Ca 0.11 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 62.14 2fug n PRO 77 Cb 0.48 -1.47 -0.08 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 -5.38 3.42 -0.82 -0.52 2.56 -1.26 -4.54 118.70 112.16 2fug s GLU 78 Ca -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.97 54.62 2fug s GLU 78 Cb 0.19 -3.08 -0.02 0.00 2.00 0.00 0.00 34.13 33.22 2fug s GLU 78 CO 0.48 0.65 0.75 -1.71 -0.56 0.00 0.00 175.26 174.87 2fug n ASN 79 N 2.35 -7.43 -4.82 -1.70 5.15 -1.25 -5.00 115.26 102.56 2fug n ASN 79 Ca -0.19 -0.26 -0.29 0.00 -0.60 0.00 0.00 54.58 53.25 2fug n ASN 79 Cb 0.54 -5.16 0.12 0.00 -0.53 0.00 0.00 39.78 34.75 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 -3.42 1.43 -0.02 1.20 0.04 -1.21 -4.51 135.00 128.51 2fug s PRO 80 Ca 0.11 0.25 -0.06 0.00 0.04 0.00 0.00 61.00 61.34 2fug s PRO 80 Cb -0.02 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2fug s PRO 80 CO 0.75 -1.99 -0.13 0.28 0.04 0.00 0.00 177.00 175.96 2fug n VAL 81 N -3.62 1.15 -4.43 -0.36 0.31 -1.26 -4.99 118.33 105.13 2fug n VAL 81 Ca 0.07 0.20 -0.25 0.00 -0.01 0.00 0.00 64.34 64.36 2fug n VAL 81 Cb 0.60 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.62 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 -5.95 3.94 0.03 4.52 1.04 -1.26 -1.27 113.70 114.74 2fug s SER 82 Ca -0.11 -1.04 -0.13 0.00 0.48 0.00 0.00 55.95 55.15 2fug s SER 82 Cb 0.02 -0.45 -0.06 0.00 0.10 0.00 0.00 66.02 65.63 2fug s SER 82 CO 0.16 -0.15 1.19 0.00 0.98 0.00 0.00 173.24 175.42 2fug h ALA 83 N 1.98 -0.91 -3.00 5.32 0.00 -1.87 -3.45 119.26 117.33 2fug h ALA 83 Ca -0.42 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2fug h ALA 83 Cb 1.25 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2fug h ALA 83 CO 0.66 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 179.41 2fug n GLY 84 N -1.20 -2.29 0.71 0.00 0.00 -1.26 -4.84 105.19 96.31 2fug n GLY 84 Ca -0.04 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.02 1.91 -4.00 1.61 0.28 -1.26 -4.80 120.64 113.36 2fug n GLU 85 Ca 0.00 -1.39 -0.14 0.00 -0.16 0.00 0.00 57.16 55.47 2fug n GLU 85 Cb 0.00 -1.35 -0.14 0.00 1.43 0.00 0.00 31.44 31.38 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 -1.56 0.19 0.11 3.44 3.52 -1.26 -2.43 118.95 120.95 2fug s ARG 86 Ca 0.29 -0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 2fug s ARG 86 Cb 0.16 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2fug s ARG 86 CO 0.21 0.05 0.04 1.52 -0.81 0.00 0.00 175.30 176.31 2fug s TYR 87 N -0.05 0.74 -0.61 5.12 -0.85 -0.64 -4.11 117.35 116.95 2fug s TYR 87 Ca 0.01 -1.17 -0.26 0.00 -0.52 0.00 0.00 57.07 55.13 2fug s TYR 87 Cb -0.01 -0.44 0.04 0.00 0.38 0.00 0.00 41.96 41.93 2fug s TYR 87 CO -0.00 -0.49 1.10 0.00 -1.52 0.00 0.00 175.55 174.64 2fug s ALA 88 N -4.01 3.02 0.01 9.51 0.00 -1.26 -0.31 121.76 128.72 2fug s ALA 88 Ca 0.19 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 2fug s ALA 88 Cb 0.07 -3.96 -0.18 0.00 0.00 0.00 0.00 23.12 19.06 2fug s ALA 88 CO -0.02 -2.71 1.39 -0.22 0.00 0.00 0.00 175.76 174.20 2fug h LYS 89 N 9.57 0.07 -4.55 0.00 3.64 -1.24 -3.43 116.57 120.63 2fug h LYS 89 Ca -0.26 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.53 2fug h LYS 89 Cb 1.06 -0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.53 2fug h LYS 89 CO 1.17 0.43 -0.82 0.08 -2.27 0.00 0.00 179.45 178.04 2fug s VAL 90 N -4.70 1.32 -0.23 2.00 1.01 -0.56 -4.99 120.40 114.25 2fug s VAL 90 Ca -0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2fug s VAL 90 Cb 0.03 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 35.24 2fug s VAL 90 CO 0.69 0.41 0.04 -0.47 0.00 0.00 0.00 175.10 175.77 2fug s TYR 91 N 1.23 1.36 0.04 5.22 5.04 -1.26 -0.64 117.35 128.33 2fug s TYR 91 Ca -0.03 -1.19 0.06 0.00 -2.44 0.00 0.00 57.07 53.48 2fug s TYR 91 Cb -0.14 -1.26 -0.02 0.00 0.35 0.00 0.00 41.96 40.88 2fug s TYR 91 CO -0.04 -0.70 -0.18 -1.21 -1.34 0.00 0.00 175.55 172.07 2fug s GLU 92 N 1.74 1.22 -0.07 4.97 2.02 -0.74 -2.33 118.70 125.52 2fug s GLU 92 Ca 0.01 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.13 2fug s GLU 92 Cb -0.17 -1.30 0.02 0.00 0.10 0.00 0.00 34.13 32.77 2fug s GLU 92 CO -0.13 0.33 -0.11 0.42 0.02 0.00 0.00 175.26 175.79 2fug s ILE 93 N -0.83 1.07 -1.33 -1.63 1.01 -0.52 -1.70 121.20 117.27 2fug s ILE 93 Ca 0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 2fug s ILE 93 Cb -0.08 -1.01 0.10 0.00 0.01 0.00 0.00 42.46 41.48 2fug s ILE 93 CO 0.02 0.35 1.88 -3.20 0.00 0.00 0.00 174.94 173.99 2fug n ASN 94 N 4.07 4.67 0.09 3.58 5.15 0.05 -1.11 115.26 131.76 2fug n ASN 94 Ca -0.21 -2.95 0.05 0.00 -0.60 0.00 0.00 54.58 50.87 2fug n ASN 94 Cb 0.51 -1.62 0.07 0.00 -0.53 0.00 0.00 39.78 38.21 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 6.04 0.01 0.08 1.20 2.81 -0.42 0.81 117.12 127.65 2fug n MET 95 Ca 0.46 0.54 -0.23 0.00 -1.81 0.00 0.00 57.70 56.65 2fug n MET 95 Cb 0.41 -1.42 -0.15 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.63 -0.77 4.03 3.38 -1.89 -3.32 115.31 117.36 2fug h LEU 96 Ca 0.08 -0.94 -0.13 0.00 0.09 0.00 0.00 57.88 56.99 2fug h LEU 96 Cb 1.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2fug h LEU 96 CO -0.00 1.78 -0.60 -0.09 0.09 0.00 0.00 178.44 179.61 2fug h ARG 97 N 0.09 0.04 -6.79 1.13 9.65 0.02 -3.45 114.38 115.07 2fug h ARG 97 Ca -0.34 -0.03 -0.57 0.00 -1.10 0.00 0.00 59.98 57.95 2fug h ARG 97 Cb 2.09 0.00 0.15 0.00 -1.39 0.00 0.00 29.97 30.82 2fug h ARG 97 CO 0.18 0.63 0.22 0.00 2.80 0.00 0.00 179.97 183.80 2fug n ILE 99 N -1.11 0.32 -3.73 0.00 0.13 -1.26 -5.00 119.36 108.71 2fug n ILE 99 Ca 0.11 -0.66 -0.31 0.00 -1.10 0.00 0.00 62.75 60.79 2fug n ILE 99 Cb 0.44 0.91 0.03 0.00 -0.84 0.00 0.00 39.64 40.18 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 0.15 -1.86 -3.94 9.51 3.01 -1.26 -4.97 117.46 118.10 2fug n PHE 100 Ca 0.03 0.50 -0.30 0.00 1.01 0.00 0.00 57.45 58.69 2fug n PHE 100 Cb 0.18 -3.50 -0.14 0.00 -0.01 0.00 0.00 39.48 36.01 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 2.92 0.00 0.00 0.00 0.00 -1.26 -4.11 105.19 102.73 2fug n GLY 102 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.75 0.00 0.21 0.99 4.77 -1.26 0.47 117.00 121.42 2fug n LEU 103 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2fug n LEU 103 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2fug n LEU 103 CO 0.00 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 176.67 2fug h GLU 105 N -0.72 0.40 0.29 0.00 4.81 -0.18 -0.88 114.58 118.28 2fug h GLU 105 Ca -0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2fug h GLU 105 Cb 0.50 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2fug h GLU 105 CO 0.09 0.26 -0.14 1.49 -0.73 0.00 0.00 179.01 179.98 2fug h GLU 106 N 0.41 -0.37 -0.95 1.92 4.81 -0.79 -3.06 114.58 116.55 2fug h GLU 106 Ca 0.55 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 60.08 2fug h GLU 106 Cb 1.04 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2fug h GLU 106 CO -0.52 -0.25 0.81 0.00 -0.73 0.00 0.00 179.01 178.32 2fug h ALA 107 N -1.81 2.82 -2.26 2.92 0.00 0.13 -3.43 119.26 117.63 2fug h ALA 107 Ca -0.04 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.25 2fug h ALA 107 Cb 0.30 0.07 0.07 0.00 0.00 0.00 0.00 17.79 18.23 2fug h ALA 107 CO 0.06 -1.30 0.66 0.00 0.00 0.00 0.00 179.25 178.67 2fug n PRO 109 N 2.50 1.31 -0.00 0.00 -0.02 -1.26 -4.34 135.00 133.18 2fug n PRO 109 Ca 0.14 -0.83 0.02 0.00 -2.02 0.00 0.00 63.50 60.81 2fug n PRO 109 Cb 0.30 -1.48 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 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 -0.12 0.04 -0.52 3.45 -2.24 -1.26 -5.01 114.28 108.62 2fug n THR 110 Ca 0.15 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2fug n THR 110 Cb 0.38 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 2.29 0.74 0.12 3.38 0.00 -1.26 -4.93 105.19 105.52 2fug n GLY 111 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2fug n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug h ALA 112 N 0.00 -0.95 -2.00 4.61 0.00 -1.88 -3.42 119.26 115.62 2fug h ALA 112 Ca 0.00 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 2fug h ALA 112 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2fug h ALA 112 CO 0.00 -0.93 0.84 -1.50 0.00 0.00 0.00 179.25 177.66 2fug s ILE 113 N -3.40 4.54 0.32 0.00 1.10 -1.26 -0.43 121.20 122.07 2fug s ILE 113 Ca -0.04 1.80 0.03 0.00 -0.51 0.00 0.00 60.65 61.93 2fug s ILE 113 Cb 0.00 -4.35 -0.06 0.00 0.15 0.00 0.00 42.46 38.21 2fug s ILE 113 CO 0.13 -0.37 0.07 -0.69 -2.11 0.00 0.00 174.94 171.97 2fug s VAL 114 N 3.53 1.01 -0.40 4.00 1.01 -0.48 -4.35 120.40 124.73 2fug s VAL 114 Ca 0.46 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.31 2fug s VAL 114 Cb -0.14 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.54 2fug s VAL 114 CO 0.13 0.00 0.26 -0.76 0.00 0.00 0.00 175.10 174.73 2fug s LEU 115 N -3.47 4.95 0.00 3.92 1.43 -1.26 -1.39 118.68 122.87 2fug s LEU 115 Ca 0.36 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2fug s LEU 115 Cb 0.08 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2fug s LEU 115 CO 0.15 -0.42 0.08 0.61 0.23 0.00 0.00 176.35 177.00 2fug n GLY 116 N 5.10 -3.74 0.04 -3.19 0.00 0.27 -4.31 105.19 99.35 2fug n GLY 116 Ca -0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.25 0.00 -1.32 1.61 4.01 -1.26 -1.03 117.16 115.91 2fug n TYR 117 Ca 0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 2fug n TYR 117 Cb 0.05 -0.46 0.04 0.00 -0.31 0.00 0.00 39.34 38.67 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 -2.26 -1.87 0.00 7.72 9.92 -1.26 -4.58 116.55 124.22 2fug n ASP 118 Ca -0.13 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 2fug n ASP 118 Cb 0.69 -1.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 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 -1.96 0.00 -2.30 1.24 1.16 -1.26 -1.25 117.46 113.08 2fug n PHE 119 Ca 0.10 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.32 2fug n PHE 119 Cb 0.49 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.33 2fug n PHE 119 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2fug n GLU 120 N 0.00 2.42 -0.66 3.97 1.02 -1.26 -4.54 120.64 121.60 2fug n GLU 120 Ca 0.00 -2.87 0.01 0.00 -0.02 0.00 0.00 57.16 54.29 2fug n GLU 120 Cb 0.00 -3.60 0.02 0.00 -0.02 0.00 0.00 31.44 27.84 2fug n GLU 120 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fug n MET 121 N 8.28 0.11 -1.73 3.49 0.00 -1.26 -4.69 117.12 121.33 2fug n MET 121 Ca 0.47 -1.32 -0.39 0.00 0.00 0.00 0.00 57.70 56.46 2fug n MET 121 Cb 0.46 -0.49 0.03 0.00 0.00 0.00 0.00 33.22 33.22 2fug n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2fug n ALA 122 N -0.02 1.53 -3.56 3.17 0.00 -1.26 -4.84 120.51 115.53 2fug n ALA 122 Ca 0.02 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 2fug n ALA 122 Cb 0.78 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 2fug n ALA 122 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fug n ASP 123 N -0.53 -0.28 -0.06 0.00 -0.08 -1.26 -4.87 116.55 109.47 2fug n ASP 123 Ca 0.09 -1.97 -0.06 0.00 -1.51 0.00 0.00 54.79 51.34 2fug n ASP 123 Cb 0.43 0.73 -0.02 0.00 2.34 0.00 0.00 41.12 44.60 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 -0.28 0.09 -3.14 -0.67 4.01 -1.26 -4.97 117.16 110.93 2fug n TYR 124 Ca 0.03 0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.42 2fug n TYR 124 Cb 0.27 -0.38 -0.05 0.00 -0.31 0.00 0.00 39.34 38.86 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 -2.25 4.37 0.00 -0.72 2.02 -1.26 -5.00 118.70 115.86 2fug s GLU 125 Ca -0.19 0.83 0.00 0.00 0.02 0.00 0.00 54.97 55.63 2fug s GLU 125 Cb 0.03 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2fug s GLU 125 CO 0.27 0.34 0.76 0.98 0.02 0.00 0.00 175.26 177.64 2fug n TYR 126 N 2.75 0.00 0.00 1.61 4.19 -1.26 -1.43 117.16 123.02 2fug n TYR 126 Ca -0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.15 2fug n TYR 126 Cb 0.51 -0.26 0.00 0.00 0.49 0.00 0.00 39.34 40.08 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 -1.81 0.00 -1.19 2.98 3.41 -1.26 0.15 113.62 115.91 2fug n SER 127 Ca 0.00 0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.74 2fug n SER 127 Cb 0.00 -0.05 0.29 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 -0.81 4.15 -0.60 4.04 8.00 -0.51 -4.20 116.55 126.61 2fug n ASP 128 Ca 0.00 -2.53 0.06 0.00 0.71 0.00 0.00 54.79 53.02 2fug n ASP 128 Cb 0.14 -0.49 0.16 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.49 3.03 -4.30 0.64 4.77 0.12 -4.83 117.00 116.92 2fug n LEU 129 Ca 0.21 -2.29 -0.46 0.00 -0.03 0.00 0.00 56.01 53.45 2fug n LEU 129 Cb 0.80 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2fug n LEU 129 CO 0.18 0.69 0.22 0.54 -1.33 0.00 0.00 177.39 177.69 2fug s VAL 130 N -1.52 5.23 0.40 4.08 0.11 -1.26 -1.30 120.40 126.14 2fug s VAL 130 Ca 0.25 -1.90 -0.26 0.00 -2.93 0.00 0.00 61.98 57.15 2fug s VAL 130 Cb 0.17 -4.31 -0.09 0.00 -1.53 0.00 0.00 36.38 30.62 2fug s VAL 130 CO 0.12 -0.92 1.27 -0.31 -3.33 0.00 0.00 175.10 171.93 2fug s TYR 131 N 1.04 2.88 0.14 1.54 1.51 -0.27 -4.78 117.35 119.42 2fug s TYR 131 Ca 0.09 1.44 0.02 0.00 -1.01 0.00 0.00 57.07 57.61 2fug s TYR 131 Cb -0.23 -3.61 0.02 0.00 -0.11 0.00 0.00 41.96 38.03 2fug s TYR 131 CO -0.02 -1.92 0.15 0.41 -1.11 0.00 0.00 175.55 173.07 2fug n GLY 132 N 0.68 2.53 0.14 0.71 0.00 -1.26 -1.45 105.19 106.54 2fug n GLY 132 Ca 0.04 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.25 -0.23 1.61 3.64 -1.86 -2.37 116.57 117.10 2fug h LYS 133 Ca -0.08 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2fug h LYS 133 Cb 0.32 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2fug h LYS 133 CO 0.12 -0.08 0.26 1.05 -2.27 0.00 0.00 179.45 178.53 2fug h GLU 134 N -0.37 0.00 -0.00 1.90 9.09 -1.96 0.24 114.58 123.47 2fug h GLU 134 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 2fug h GLU 134 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 2fug h GLU 134 CO 0.04 0.00 -0.20 -0.25 0.05 0.00 0.00 179.01 178.65 2fug n ASP 135 N -3.78 0.31 0.00 3.06 8.00 -0.91 -4.41 116.55 118.81 2fug n ASP 135 Ca 0.03 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2fug n ASP 135 Cb 0.39 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.34 2.67 -0.79 -1.24 2.81 0.79 -4.84 117.12 115.17 2fug n MET 136 Ca 0.09 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.64 2fug n MET 136 Cb 0.32 -0.74 0.12 0.00 -0.71 0.00 0.00 33.22 32.21 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 -1.11 -1.79 0.17 4.03 4.32 -0.93 -2.13 117.00 119.56 2fug n LEU 137 Ca 0.00 0.14 0.13 0.00 -0.02 0.00 0.00 56.01 56.26 2fug n LEU 137 Cb 0.00 -1.03 0.39 0.00 -1.62 0.00 0.00 43.42 41.17 2fug n LEU 137 CO 0.00 -3.68 0.88 -0.37 -1.22 0.00 0.00 177.39 173.00 2fug h VAL 138 N -1.62 0.00 0.00 4.08 -1.51 -1.78 -2.94 116.25 112.47 2fug h VAL 138 Ca -0.47 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 2fug h VAL 138 Cb 1.32 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 2fug h VAL 138 CO 0.33 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.14 2fug n ASP 139 N -2.62 0.62 -4.43 4.19 8.00 -1.26 -4.51 116.55 116.54 2fug n ASP 139 Ca 0.04 0.64 -0.29 0.00 0.71 0.00 0.00 54.79 55.88 2fug n ASP 139 Cb 0.41 -0.77 0.16 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.26 1.92 0.00 2.53 0.11 -1.11 -5.06 120.40 115.53 2fug s VAL 140 Ca 0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2fug s VAL 140 Cb 0.10 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 2fug s VAL 140 CO 0.41 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.73 2fug n VAL 141 N -3.90 0.00 -0.46 2.04 3.14 -1.26 -4.82 118.33 113.07 2fug n VAL 141 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2fug n VAL 141 Cb 0.60 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 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 2.64 0.20 3.71 7.55 0.00 -1.26 -5.03 105.19 113.00 2fug n GLY 142 Ca 0.00 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 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 0.57 3.83 0.20 2.61 -4.23 -1.26 -4.87 115.64 112.48 2fug s THR 143 Ca 0.00 -1.72 -0.13 0.00 -1.18 0.00 0.00 61.69 58.67 2fug s THR 143 Cb 0.00 -3.05 0.24 0.00 1.34 0.00 0.00 72.50 71.02 2fug s THR 143 CO 0.00 -0.36 1.27 1.17 -0.54 0.00 0.00 174.62 176.15 2fug n LYS 144 N -0.99 -0.16 0.14 3.99 4.81 -1.26 0.06 118.16 124.75 2fug n LYS 144 Ca -0.07 1.26 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 2fug n LYS 144 Cb 0.59 -1.87 0.18 0.00 0.02 0.00 0.00 35.03 33.95 2fug n LYS 144 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2fug h PRO 145 N 0.00 0.00 -0.07 1.64 0.13 -1.89 -2.60 132.00 129.21 2fug h PRO 145 Ca 0.31 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.31 2fug h PRO 145 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 2fug h PRO 145 CO -0.82 0.58 -0.44 1.96 -0.23 0.00 0.00 178.00 179.05 2fug h GLN 146 N 0.00 0.42 -0.13 0.86 4.20 -0.65 -3.16 115.11 116.66 2fug h GLN 146 Ca -0.01 -0.36 -0.12 0.00 0.06 0.00 0.00 58.65 58.22 2fug h GLN 146 Cb 1.13 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2fug h GLN 146 CO 0.08 1.00 -0.44 0.00 -0.67 0.00 0.00 178.83 178.79 2fug h ARG 147 N -0.04 0.32 0.52 1.46 3.08 -1.17 -2.85 114.38 115.70 2fug h ARG 147 Ca -0.03 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 2fug h ARG 147 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2fug h ARG 147 CO 0.09 0.71 -0.39 -0.09 -1.07 0.00 0.00 179.97 179.22 2fug h ARG 148 N 0.26 -0.84 -0.29 0.04 2.43 -1.49 -1.36 114.38 113.14 2fug h ARG 148 Ca 0.02 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2fug h ARG 148 Cb 0.89 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2fug h ARG 148 CO 0.07 -0.56 0.19 0.93 -1.51 0.00 0.00 179.97 179.10 2fug h GLU 149 N -0.87 0.38 0.00 0.20 5.08 -1.65 -0.60 114.58 117.13 2fug h GLU 149 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2fug h GLU 149 Cb 0.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2fug h GLU 149 CO 0.03 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 2fug n ALA 150 N -2.17 1.36 -0.04 3.43 0.00 -1.07 -1.25 120.51 120.75 2fug n ALA 150 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2fug n ALA 150 Cb 0.03 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.03 0.01 0.00 1.63 0.08 -3.06 116.57 115.20 2fug h LYS 151 Ca 0.00 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.59 2fug h LYS 151 Cb 0.00 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2fug h LYS 151 CO 0.00 0.60 -0.92 0.07 -3.45 0.00 0.00 179.45 175.74 2fug h ARG 152 N -0.96 0.28 -0.77 1.90 0.11 -1.47 -3.20 114.38 110.25 2fug h ARG 152 Ca -0.00 -0.31 0.13 0.00 0.10 0.00 0.00 59.98 59.90 2fug h ARG 152 Cb 0.64 0.09 -0.05 0.00 1.11 0.00 0.00 29.97 31.76 2fug h ARG 152 CO 0.01 1.02 0.51 1.15 0.10 0.00 0.00 179.97 182.76 2fug h THR 153 N 0.15 0.85 -0.46 0.08 2.02 -1.30 -3.45 112.91 110.80 2fug h THR 153 Ca -0.06 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 2fug h THR 153 Cb 1.56 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 68.15 2fug h THR 153 CO 0.15 0.10 -0.18 0.61 0.37 0.00 0.00 175.52 176.57 2fug n GLY 154 N -1.48 1.08 3.02 2.16 0.00 -1.16 -4.97 105.19 103.83 2fug n GLY 154 Ca 0.14 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.63 1.96 1.01 1.61 2.47 -1.26 -5.11 119.74 117.80 2fug s LYS 155 Ca 0.00 -0.46 -0.24 0.00 -1.56 0.00 0.00 55.97 53.70 2fug s LYS 155 Cb 0.00 -1.72 -0.15 0.00 -1.46 0.00 0.00 37.83 34.51 2fug s LYS 155 CO 0.00 -0.09 -1.19 -2.30 0.16 0.00 0.00 175.35 171.93 2fug n PRO 156 N 4.27 -0.20 -3.33 4.03 -0.02 -1.26 -4.75 135.00 133.74 2fug n PRO 156 Ca -0.19 -0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 60.82 2fug n PRO 156 Cb 0.51 -1.11 -0.09 0.00 -0.02 0.00 0.00 33.50 32.80 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 -2.04 5.09 -0.51 -1.45 -7.23 -1.26 -5.01 120.40 107.99 2fug s VAL 157 Ca 0.40 -0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.39 2fug s VAL 157 Cb 0.02 -3.94 0.07 0.00 0.56 0.00 0.00 36.38 33.09 2fug s VAL 157 CO 0.69 -0.25 0.57 -0.54 -0.31 0.00 0.00 175.10 175.26 2fug s LYS 158 N 2.18 3.07 0.04 4.82 1.02 -1.26 -4.99 119.74 124.62 2fug s LYS 158 Ca 0.14 -1.11 -0.31 0.00 0.02 0.00 0.00 55.97 54.72 2fug s LYS 158 Cb -0.16 -4.14 -0.06 0.00 -0.52 0.00 0.00 37.83 32.95 2fug s LYS 158 CO 0.13 -1.21 1.27 0.14 -0.92 0.00 0.00 175.35 174.75 2fug s VAL 159 N 2.32 3.88 -0.76 3.17 -7.23 -1.26 -4.94 120.40 115.59 2fug s VAL 159 Ca 0.11 1.32 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 2fug s VAL 159 Cb -0.22 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.88 2fug s VAL 159 CO 0.09 0.07 0.25 0.61 -0.31 0.00 0.00 175.10 175.82 2fug n GLY 160 N 3.36 0.66 3.32 2.32 0.00 -1.26 -4.81 105.19 108.79 2fug n GLY 160 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.61 1.32 -0.21 1.61 -0.85 -1.26 0.35 117.35 117.71 2fug s TYR 161 Ca 0.00 -1.43 -0.26 0.00 -0.52 0.00 0.00 57.07 54.87 2fug s TYR 161 Cb 0.00 -0.47 0.07 0.00 0.38 0.00 0.00 41.96 41.94 2fug s TYR 161 CO 0.00 -0.86 0.69 0.14 -1.52 0.00 0.00 175.55 173.99 2fug s VAL 162 N -3.63 0.00 0.26 -3.49 -7.23 0.42 -4.66 120.40 102.08 2fug s VAL 162 Ca 0.37 -0.01 0.09 0.00 -1.81 0.00 0.00 61.98 60.62 2fug s VAL 162 Cb 0.03 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 2fug s VAL 162 CO 0.20 -0.00 -0.15 0.68 -0.31 0.00 0.00 175.10 175.52 2fug s VAL 163 N -0.02 2.06 0.28 1.32 -7.23 -1.15 -1.90 120.40 113.77 2fug s VAL 163 Ca -0.03 -2.28 0.28 0.00 -1.81 0.00 0.00 61.98 58.15 2fug s VAL 163 Cb -0.04 -2.26 0.29 0.00 0.56 0.00 0.00 36.38 34.94 2fug s VAL 163 CO 0.03 -0.44 1.98 1.55 -0.31 0.00 0.00 175.10 177.91 2fug h PRO 164 N 2.35 0.00 0.00 4.82 0.13 -1.81 -2.54 132.00 134.96 2fug h PRO 164 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2fug h PRO 164 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2fug h PRO 164 CO 0.63 0.14 0.00 2.48 -0.23 0.00 0.00 178.00 181.01 2fug n TYR 165 N -3.43 0.00 -2.83 1.56 0.18 -1.26 -4.62 117.16 106.77 2fug n TYR 165 Ca -0.01 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.37 2fug n TYR 165 Cb 0.31 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.22 2fug n TYR 165 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2fug s VAL 166 N -2.00 4.28 0.81 -3.48 -7.23 -1.26 -4.70 120.40 106.83 2fug s VAL 166 Ca 0.00 1.94 -0.13 0.00 -1.81 0.00 0.00 61.98 61.98 2fug s VAL 166 Cb 0.00 -4.26 0.08 0.00 0.56 0.00 0.00 36.38 32.77 2fug s VAL 166 CO 0.00 0.46 1.19 0.54 -0.31 0.00 0.00 175.10 176.98 2fug n ARG 167 N 1.86 0.15 0.09 4.82 1.74 -1.26 -4.90 116.66 119.16 2fug n ARG 167 Ca -0.02 0.13 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 2fug n ARG 167 Cb 0.48 -2.43 -0.08 0.00 -1.02 0.00 0.00 32.46 29.42 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 -0.96 -0.16 -0.88 5.56 0.11 -2.01 -3.08 132.00 130.58 2fug h PRO 168 Ca -0.46 0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.88 2fug h PRO 168 Cb 1.30 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.32 2fug h PRO 168 CO 0.45 -0.03 0.35 0.93 -0.21 0.00 0.00 178.00 179.49 2fug h GLU 169 N -0.26 0.34 -0.98 1.05 3.07 -2.00 0.10 114.58 115.90 2fug h GLU 169 Ca -0.02 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2fug h GLU 169 Cb 0.21 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2fug h GLU 169 CO 0.03 0.22 0.00 1.28 -1.40 0.00 0.00 179.01 179.15 2fug n LEU 170 N -5.09 1.47 -4.67 1.33 4.77 -1.16 -4.92 117.00 108.72 2fug n LEU 170 Ca 0.22 -0.74 -0.56 0.00 -0.03 0.00 0.00 56.01 54.90 2fug n LEU 170 Cb 0.65 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2fug n LEU 170 CO 0.11 0.30 1.19 1.21 -1.33 0.00 0.00 177.39 178.87 2fug n GLU 171 N 0.07 1.15 0.00 3.23 4.07 0.02 -1.07 120.64 128.10 2fug n GLU 171 Ca 0.02 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 2fug n GLU 171 Cb 0.33 -2.09 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 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 3.65 2.60 3.69 8.31 0.00 -1.26 -4.83 105.19 117.36 2fug n GLY 172 Ca 0.24 0.00 -0.42 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 -2.31 2.99 0.16 1.61 5.36 -0.24 -4.88 117.98 120.67 2fug s PHE 173 Ca 0.00 0.98 -0.25 0.00 -0.96 0.00 0.00 56.93 56.70 2fug s PHE 173 Cb 0.00 -3.57 -0.08 0.00 -0.34 0.00 0.00 43.02 39.04 2fug s PHE 173 CO 0.00 -1.99 0.76 0.15 -1.46 0.00 0.00 175.22 172.68 2fug s LYS 174 N 2.32 4.54 -0.03 10.12 3.01 -1.26 -5.01 119.74 133.43 2fug s LYS 174 Ca 0.61 1.13 -0.31 0.00 -1.01 0.00 0.00 55.97 56.39 2fug s LYS 174 Cb -0.29 -3.26 0.11 0.00 -1.01 0.00 0.00 37.83 33.39 2fug s LYS 174 CO 0.25 0.58 1.17 0.00 0.51 0.00 0.00 175.35 177.85 2fug s ALA 175 N -1.14 -2.05 -1.11 5.17 0.00 -1.26 -5.03 121.76 116.34 2fug s ALA 175 Ca 0.35 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 52.96 2fug s ALA 175 Cb -0.23 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.08 2fug s ALA 175 CO 0.26 -0.89 1.92 -0.35 0.00 0.00 0.00 175.76 176.70 2fug n PRO 176 N -0.36 1.66 0.24 0.00 -0.04 -1.26 -4.71 135.00 130.53 2fug n PRO 176 Ca -0.06 -2.38 0.16 0.00 -0.04 0.00 0.00 63.50 61.18 2fug n PRO 176 Cb 0.61 -3.55 0.70 0.00 -0.04 0.00 0.00 33.50 31.22 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 5.77 0.00 -0.49 0.52 1.35 -1.95 -3.04 112.91 115.07 2fug h THR 177 Ca 0.27 -0.33 0.17 0.00 -0.55 0.00 0.00 66.41 65.98 2fug h THR 177 Cb 0.88 1.22 -0.09 0.00 -1.73 0.00 0.00 68.15 68.43 2fug h THR 177 CO 1.39 0.00 0.15 -0.62 -0.25 0.00 0.00 175.52 176.19 2fug n GLU 178 N -2.80 -0.03 0.00 4.72 4.71 -1.26 -4.37 120.64 121.61 2fug n GLU 178 Ca 0.00 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 2fug n GLU 178 Cb 0.23 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 2fug n GLU 178 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63