#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fiv s THR 7 N 0.00 2.64 -0.16 12.58 -4.23 -1.26 -5.09 115.64 120.11 3fiv s THR 7 Ca 0.00 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 3fiv s THR 7 Cb 0.00 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.86 3fiv s THR 7 CO 0.00 0.58 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.61 3fiv s THR 8 N -0.51 1.72 0.57 3.99 2.01 -1.26 -5.12 115.64 117.03 3fiv s THR 8 Ca 0.07 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 3fiv s THR 8 Cb -0.11 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3fiv s THR 8 CO 0.01 0.48 0.95 0.42 -0.69 0.00 0.00 174.62 175.79 3fiv s THR 9 N 1.42 4.76 -0.29 -0.82 -4.23 -1.26 -5.00 115.64 110.21 3fiv s THR 9 Ca 0.05 0.71 0.12 0.00 -1.18 0.00 0.00 61.69 61.39 3fiv s THR 9 Cb -0.13 -3.85 0.78 0.00 1.34 0.00 0.00 72.50 70.64 3fiv s THR 9 CO -0.11 -1.01 1.74 0.18 -0.54 0.00 0.00 174.62 174.87 3fiv n LEU 10 N -2.47 5.74 0.15 4.79 4.77 -1.26 -4.41 117.00 124.32 3fiv n LEU 10 Ca 0.04 -2.94 0.13 0.00 -0.03 0.00 0.00 56.01 53.21 3fiv n LEU 10 Cb 0.54 -0.70 0.54 0.00 -2.33 0.00 0.00 43.42 41.47 3fiv n LEU 10 CO 0.55 0.67 0.88 1.05 -1.33 0.00 0.00 177.39 179.21 3fiv h GLU 11 N 3.47 0.00 -5.68 3.23 9.09 -2.06 -3.43 114.58 119.20 3fiv h GLU 11 Ca 0.09 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 59.02 3fiv h GLU 11 Cb 2.06 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 29.02 3fiv h GLU 11 CO 0.56 0.00 -0.74 0.15 0.05 0.00 0.00 179.01 179.03 3fiv s LYS 12 N -3.39 1.39 0.13 1.06 1.02 -1.26 -5.10 119.74 113.58 3fiv s LYS 12 Ca 0.03 -1.62 -0.32 0.00 0.02 0.00 0.00 55.97 54.08 3fiv s LYS 12 Cb 0.09 -1.24 -0.11 0.00 -0.52 0.00 0.00 37.83 36.05 3fiv s LYS 12 CO 0.40 0.21 1.79 0.54 -0.92 0.00 0.00 175.35 177.37 3fiv n ARG 13 N -0.41 2.66 -2.55 1.68 1.74 -1.26 -4.90 116.66 113.62 3fiv n ARG 13 Ca -0.08 0.97 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 3fiv n ARG 13 Cb 0.60 -2.84 -0.02 0.00 -1.02 0.00 0.00 32.46 29.19 3fiv n ARG 13 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3fiv s PRO 14 N 2.35 3.63 0.24 5.56 0.04 -1.26 -5.00 135.00 140.56 3fiv s PRO 14 Ca 0.81 0.52 0.09 0.00 0.04 0.00 0.00 61.00 62.46 3fiv s PRO 14 Cb -0.53 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 3fiv s PRO 14 CO 0.38 -1.51 0.01 -1.21 0.04 0.00 0.00 177.00 174.71 3fiv s GLU 15 N 4.70 2.38 -0.14 4.56 2.02 -1.26 -0.58 118.70 130.39 3fiv s GLU 15 Ca 0.49 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.10 3fiv s GLU 15 Cb -0.08 -2.26 0.05 0.00 0.10 0.00 0.00 34.13 31.94 3fiv s GLU 15 CO 0.30 0.40 0.34 -1.50 0.02 0.00 0.00 175.26 174.82 3fiv s ILE 16 N -2.11 -0.02 -0.18 -1.63 2.07 -0.30 -4.92 121.20 114.11 3fiv s ILE 16 Ca 0.30 0.07 -0.23 0.00 -1.41 0.00 0.00 60.65 59.39 3fiv s ILE 16 Cb -0.07 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 3fiv s ILE 16 CO 0.20 0.03 0.72 -0.22 -1.91 0.00 0.00 174.94 173.76 3fiv s LEU 17 N 0.93 4.17 -0.01 8.50 1.98 -1.26 -0.41 118.68 132.58 3fiv s LEU 17 Ca -0.06 1.01 0.02 0.00 -2.89 0.00 0.00 54.13 52.21 3fiv s LEU 17 Cb -0.07 -3.05 -0.00 0.00 0.66 0.00 0.00 46.19 43.72 3fiv s LEU 17 CO -0.07 -0.32 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.38 3fiv s ILE 18 N 1.94 0.55 -0.26 6.68 1.01 -0.27 -2.77 121.20 128.07 3fiv s ILE 18 Ca 0.33 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 3fiv s ILE 18 Cb -0.16 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 3fiv s ILE 18 CO 0.12 0.16 0.68 -0.36 0.00 0.00 0.00 174.94 175.54 3fiv s PHE 19 N -0.06 3.27 -0.42 3.97 0.40 0.12 -0.77 117.98 124.50 3fiv s PHE 19 Ca 0.01 0.84 -0.11 0.00 -0.60 0.00 0.00 56.93 57.07 3fiv s PHE 19 Cb -0.04 -2.93 0.06 0.00 0.51 0.00 0.00 43.02 40.62 3fiv s PHE 19 CO -0.00 -0.38 0.27 0.08 0.70 0.00 0.00 175.22 175.89 3fiv s VAL 20 N 2.62 4.56 -1.46 -0.44 1.01 0.12 -1.04 120.40 125.77 3fiv s VAL 20 Ca 0.28 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 3fiv s VAL 20 Cb -0.15 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.58 3fiv s VAL 20 CO 0.09 -0.44 1.02 0.59 0.00 0.00 0.00 175.10 176.36 3fiv n ASN 21 N 5.01 -4.91 0.00 3.32 3.02 -0.42 -2.41 115.26 118.87 3fiv n ASN 21 Ca -0.11 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3fiv n ASN 21 Cb 0.44 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 3fiv n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fiv n GLY 22 N -1.76 0.82 3.19 7.41 0.00 -1.26 -4.90 105.19 108.69 3fiv n GLY 22 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3fiv n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fiv s TYR 23 N -3.20 2.11 0.05 1.61 1.51 -1.01 -5.05 117.35 113.37 3fiv s TYR 23 Ca 0.00 -0.68 -0.31 0.00 -1.01 0.00 0.00 57.07 55.08 3fiv s TYR 23 Cb 0.00 -1.41 -0.06 0.00 -0.11 0.00 0.00 41.96 40.38 3fiv s TYR 23 CO 0.00 -0.24 1.35 -1.25 -1.11 0.00 0.00 175.55 174.30 3fiv s PRO 24 N 0.06 4.33 -0.03 -1.71 0.04 -1.26 0.16 135.00 136.58 3fiv s PRO 24 Ca -0.07 1.96 0.01 0.00 0.04 0.00 0.00 61.00 62.94 3fiv s PRO 24 Cb -0.14 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.01 3fiv s PRO 24 CO 0.04 -0.46 -0.04 0.42 0.04 0.00 0.00 177.00 177.01 3fiv s ILE 25 N 1.64 0.44 -0.38 0.56 -1.09 0.05 -4.95 121.20 117.48 3fiv s ILE 25 Ca 0.63 -0.11 -0.17 0.00 -2.23 0.00 0.00 60.65 58.77 3fiv s ILE 25 Cb -0.33 -0.46 0.01 0.00 -1.58 0.00 0.00 42.46 40.09 3fiv s ILE 25 CO 0.28 0.19 0.44 -0.75 -1.23 0.00 0.00 174.94 173.87 3fiv s LYS 26 N 0.70 3.37 0.25 2.79 2.20 -1.26 -1.12 119.74 126.67 3fiv s LYS 26 Ca -0.09 -0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 3fiv s LYS 26 Cb -0.12 -3.88 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 3fiv s LYS 26 CO -0.00 -0.71 0.48 -0.06 -0.36 0.00 0.00 175.35 174.70 3fiv s PHE 27 N 2.18 3.48 -0.27 4.03 0.08 0.45 -4.40 117.98 123.54 3fiv s PHE 27 Ca 0.14 0.50 -0.14 0.00 0.12 0.00 0.00 56.93 57.55 3fiv s PHE 27 Cb -0.16 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 3fiv s PHE 27 CO 0.13 0.27 0.31 -1.17 -0.10 0.00 0.00 175.22 174.66 3fiv s LEU 28 N -3.43 4.05 -0.27 -0.37 2.96 0.56 -1.15 118.68 121.02 3fiv s LEU 28 Ca 0.41 0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 54.24 3fiv s LEU 28 Cb -0.11 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 3fiv s LEU 28 CO 0.29 -0.12 1.67 -0.76 -1.32 0.00 0.00 176.35 176.11 3fiv s LEU 29 N 1.86 3.74 -0.33 -0.68 1.43 0.26 -0.51 118.68 124.46 3fiv s LEU 29 Ca 0.12 1.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 3fiv s LEU 29 Cb -0.16 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.63 3fiv s LEU 29 CO 0.10 -1.42 0.08 0.21 0.23 0.00 0.00 176.35 175.54 3fiv s ASN 30 N 4.86 4.36 0.06 2.29 3.04 0.01 -4.77 114.94 124.79 3fiv s ASN 30 Ca 0.74 -1.89 0.15 0.00 0.04 0.00 0.00 52.86 51.90 3fiv s ASN 30 Cb -0.24 -1.22 0.64 0.00 -1.54 0.00 0.00 41.25 38.90 3fiv s ASN 30 CO 0.31 -0.40 1.47 0.35 -3.04 0.00 0.00 177.10 175.80 3fiv n THR 31 N 4.55 1.08 0.30 -5.21 -2.24 -1.26 -1.88 114.28 109.62 3fiv n THR 31 Ca 0.01 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 3fiv n THR 31 Cb 0.42 -1.12 0.25 0.00 -2.10 0.00 0.00 70.33 67.78 3fiv n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fiv n GLY 32 N -0.21 1.51 3.19 3.38 0.00 -1.26 -4.78 105.19 107.01 3fiv n GLY 32 Ca 0.03 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 3fiv n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiv s ALA 33 N -1.30 2.34 0.29 4.61 0.00 -0.79 -5.01 121.76 121.91 3fiv s ALA 33 Ca 0.36 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.29 3fiv s ALA 33 Cb 0.19 -1.11 0.45 0.00 0.00 0.00 0.00 23.12 22.66 3fiv s ALA 33 CO 0.25 -0.10 1.69 -0.44 0.00 0.00 0.00 175.76 177.16 3fiv h ASP 34 N 7.45 0.20 -4.09 0.00 3.32 -1.86 0.92 116.42 122.35 3fiv h ASP 34 Ca -0.35 -0.09 -0.32 0.00 0.02 0.00 0.00 57.03 56.30 3fiv h ASP 34 Cb 1.18 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.53 3fiv h ASP 34 CO 0.57 0.63 -0.70 0.27 -1.72 0.00 0.00 179.24 178.29 3fiv s ILE 35 N -4.05 1.04 -0.06 0.35 -4.36 -1.26 -2.19 121.20 110.66 3fiv s ILE 35 Ca -0.04 -2.03 -0.26 0.00 -0.26 0.00 0.00 60.65 58.06 3fiv s ILE 35 Cb 0.13 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 3fiv s ILE 35 CO 0.77 -0.67 0.82 -0.89 0.24 0.00 0.00 174.94 175.20 3fiv s THR 36 N -3.41 4.96 0.04 8.37 2.01 -1.26 -3.88 115.64 122.46 3fiv s THR 36 Ca 0.18 1.68 0.03 0.00 0.31 0.00 0.00 61.69 63.90 3fiv s THR 36 Cb 0.04 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 3fiv s THR 36 CO 0.01 0.18 -0.11 0.27 -0.69 0.00 0.00 174.62 174.29 3fiv s ILE 37 N 1.11 0.81 0.10 1.82 -4.36 -0.82 -0.44 121.20 119.42 3fiv s ILE 37 Ca 0.42 -0.96 -0.14 0.00 -0.26 0.00 0.00 60.65 59.72 3fiv s ILE 37 Cb -0.19 -0.78 0.02 0.00 1.25 0.00 0.00 42.46 42.77 3fiv s ILE 37 CO 0.20 -0.15 0.34 -1.48 0.24 0.00 0.00 174.94 174.10 3fiv s LEU 38 N -1.23 0.69 0.56 0.37 2.34 -0.62 -1.80 118.68 118.99 3fiv s LEU 38 Ca -0.03 -0.37 -0.19 0.00 0.06 0.00 0.00 54.13 53.61 3fiv s LEU 38 Cb -0.08 1.59 -0.05 0.00 -0.56 0.00 0.00 46.19 47.10 3fiv s LEU 38 CO 0.01 -0.79 1.12 0.20 -1.06 0.00 0.00 176.35 175.83 3fiv s ASN 39 N -2.70 5.66 0.46 1.48 0.01 -1.26 -1.45 114.94 117.13 3fiv s ASN 39 Ca 0.02 2.11 0.14 0.00 -0.71 0.00 0.00 52.86 54.43 3fiv s ASN 39 Cb 0.02 -2.57 1.08 0.00 0.41 0.00 0.00 41.25 40.19 3fiv s ASN 39 CO -0.10 -1.26 2.02 -0.09 -1.51 0.00 0.00 177.10 176.16 3fiv h ARG 40 N 0.98 0.31 0.00 -0.60 9.65 -1.42 -1.33 114.38 121.98 3fiv h ARG 40 Ca -0.49 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 3fiv h ARG 40 Cb 1.25 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3fiv h ARG 40 CO 0.57 0.20 -0.07 0.07 2.80 0.00 0.00 179.97 183.54 3fiv h ARG 41 N 0.32 0.00 -0.02 0.20 0.11 -1.91 -1.98 114.38 111.09 3fiv h ARG 41 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3fiv h ARG 41 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3fiv h ARG 41 CO -0.05 0.07 -0.17 -0.25 0.10 0.00 0.00 179.97 179.68 3fiv n ASP 42 N -3.58 1.99 -4.58 0.08 8.00 -0.51 -4.93 116.55 113.02 3fiv n ASP 42 Ca -0.02 -1.53 -0.36 0.00 0.71 0.00 0.00 54.79 53.59 3fiv n ASP 42 Cb 0.19 0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.32 3fiv n ASP 42 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3fiv s PHE 43 N -2.22 3.21 -0.37 1.24 5.36 -0.75 -5.02 117.98 119.43 3fiv s PHE 43 Ca 0.28 -0.04 -0.12 0.00 -0.96 0.00 0.00 56.93 56.09 3fiv s PHE 43 Cb 0.20 -2.17 0.02 0.00 -0.34 0.00 0.00 43.02 40.72 3fiv s PHE 43 CO 0.42 -0.03 0.22 -0.65 -1.46 0.00 0.00 175.22 173.72 3fiv s GLN 44 N 0.92 2.96 0.16 10.12 -1.52 -1.26 -4.99 119.66 126.06 3fiv s GLN 44 Ca 0.05 -1.00 -0.14 0.00 -1.95 0.00 0.00 55.36 52.31 3fiv s GLN 44 Cb -0.14 -3.76 0.05 0.00 -0.22 0.00 0.00 33.01 28.94 3fiv s GLN 44 CO 0.03 -0.66 1.80 0.28 -0.25 0.00 0.00 175.29 176.49 3fiv h VAL 45 N 5.78 1.16 0.00 1.09 2.07 -1.95 -3.45 116.25 120.95 3fiv h VAL 45 Ca -0.27 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3fiv h VAL 45 Cb 1.12 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3fiv h VAL 45 CO 0.67 0.16 0.00 0.29 0.02 0.00 0.00 177.57 178.71 3fiv n LYS 46 N -4.69 0.00 -0.20 1.57 5.02 -1.26 -0.79 118.16 117.81 3fiv n LYS 46 Ca 0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 3fiv n LYS 46 Cb 0.06 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.33 3fiv n LYS 46 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fiv n ASN 47 N 3.87 2.68 -4.79 4.39 3.02 -1.26 -4.94 115.26 118.23 3fiv n ASN 47 Ca 0.00 -1.93 -0.35 0.00 -0.03 0.00 0.00 54.58 52.27 3fiv n ASN 47 Cb 0.00 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 3fiv n ASN 47 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fiv s SER 48 N -1.25 6.26 -0.11 6.41 0.01 0.03 -4.99 113.70 120.06 3fiv s SER 48 Ca 0.35 2.06 -0.01 0.00 1.31 0.00 0.00 55.95 59.66 3fiv s SER 48 Cb 0.19 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3fiv s SER 48 CO 0.26 -0.84 -0.06 -0.63 0.41 0.00 0.00 173.24 172.39 3fiv s ILE 49 N -1.81 3.77 0.43 1.44 1.01 -0.94 -4.95 121.20 120.16 3fiv s ILE 49 Ca 0.66 -0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.63 3fiv s ILE 49 Cb -0.21 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.59 3fiv s ILE 49 CO 0.25 0.55 1.36 -0.70 0.00 0.00 0.00 174.94 176.41 3fiv s GLU 50 N -0.28 3.80 -0.17 2.79 2.12 -1.26 -1.30 118.70 124.40 3fiv s GLU 50 Ca 0.04 2.28 0.23 0.00 0.36 0.00 0.00 54.97 57.89 3fiv s GLU 50 Cb -0.13 -2.68 0.48 0.00 0.26 0.00 0.00 34.13 32.06 3fiv s GLU 50 CO 0.02 -0.68 1.14 -1.71 -0.54 0.00 0.00 175.26 173.49 3fiv n ASN 51 N -0.08 1.53 0.00 -1.70 4.05 0.22 -4.83 115.26 114.44 3fiv n ASN 51 Ca 0.05 -2.14 0.00 0.00 0.45 0.00 0.00 54.58 52.93 3fiv n ASN 51 Cb 0.43 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.03 3fiv n ASN 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3fiv n GLY 52 N -0.23 -3.50 3.96 8.20 0.00 -1.26 -4.72 105.19 107.64 3fiv n GLY 52 Ca 0.09 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 3fiv n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fiv s ARG 53 N -0.78 3.45 -0.02 1.61 1.81 -1.26 -0.03 118.95 123.73 3fiv s ARG 53 Ca 0.00 -0.68 -0.01 0.00 -1.72 0.00 0.00 55.73 53.32 3fiv s ARG 53 Cb 0.00 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 3fiv s ARG 53 CO 0.00 0.38 0.04 -1.14 -0.68 0.00 0.00 175.30 173.90 3fiv s GLN 54 N -4.03 0.01 -0.02 3.54 2.00 0.82 -4.82 119.66 117.16 3fiv s GLN 54 Ca 0.35 0.12 -0.05 0.00 -2.00 0.00 0.00 55.36 53.78 3fiv s GLN 54 Cb -0.09 -0.10 -0.04 0.00 0.80 0.00 0.00 33.01 33.58 3fiv s GLN 54 CO 0.30 -0.08 0.21 -0.80 -0.50 0.00 0.00 175.29 174.43 3fiv s ASN 55 N 0.49 6.43 0.05 6.67 -0.87 -1.26 -0.66 114.94 125.80 3fiv s ASN 55 Ca -0.04 0.46 -0.04 0.00 -1.57 0.00 0.00 52.86 51.67 3fiv s ASN 55 Cb -0.06 -2.05 -0.02 0.00 -0.02 0.00 0.00 41.25 39.10 3fiv s ASN 55 CO -0.02 0.28 0.05 0.00 -2.57 0.00 0.00 177.10 174.85 3fiv s MET 56 N -1.72 0.64 -0.04 -0.60 0.23 -0.15 -4.98 119.30 112.68 3fiv s MET 56 Ca 0.25 -1.01 0.03 0.00 -1.03 0.00 0.00 55.69 53.93 3fiv s MET 56 Cb -0.13 0.24 0.01 0.00 -1.53 0.00 0.00 34.83 33.42 3fiv s MET 56 CO 0.15 -0.15 -0.11 0.42 -2.03 0.00 0.00 175.02 173.30 3fiv s ILE 57 N -3.45 0.95 0.09 3.16 -1.09 -1.26 -1.52 121.20 118.08 3fiv s ILE 57 Ca 0.02 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3fiv s ILE 57 Cb 0.04 -0.86 -0.00 0.00 -1.58 0.00 0.00 42.46 40.06 3fiv s ILE 57 CO -0.08 0.30 0.03 0.61 -1.23 0.00 0.00 174.94 174.57 3fiv n GLY 58 N 3.51 3.92 0.24 6.18 0.00 0.83 -4.99 105.19 114.88 3fiv n GLY 58 Ca -0.20 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 43.95 3fiv n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fiv h VAL 59 N 1.15 0.63 -0.02 1.61 2.07 -2.02 -3.17 116.25 116.50 3fiv h VAL 59 Ca -0.07 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3fiv h VAL 59 Cb 0.27 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3fiv h VAL 59 CO 0.11 0.18 -0.28 0.61 0.02 0.00 0.00 177.57 178.21 3fiv n GLY 60 N -0.39 0.28 0.00 2.17 0.00 -1.26 -5.06 105.19 100.93 3fiv n GLY 60 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3fiv n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fiv n GLY 61 N 1.38 0.52 3.57 -0.02 0.00 -1.20 -5.13 105.19 104.31 3fiv n GLY 61 Ca 0.12 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 3fiv n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fiv s GLY 62 N 0.00 2.19 0.10 -0.02 0.00 -1.26 -0.12 107.32 108.21 3fiv s GLY 62 Ca 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 44.72 42.57 3fiv s GLY 62 CO 0.00 -2.01 0.17 0.54 0.00 0.00 0.00 173.10 171.80 3fiv s LYS 63 N -3.64 0.86 0.02 2.90 -0.14 -0.58 -4.97 119.74 114.20 3fiv s LYS 63 Ca 0.33 -1.04 0.08 0.00 -1.36 0.00 0.00 55.97 53.98 3fiv s LYS 63 Cb 0.02 0.33 -0.02 0.00 -1.68 0.00 0.00 37.83 36.48 3fiv s LYS 63 CO 0.17 -0.27 -0.25 0.50 -0.76 0.00 0.00 175.35 174.75 3fiv s ARG 64 N -3.89 1.81 0.31 1.68 3.52 -1.26 -0.97 118.95 120.14 3fiv s ARG 64 Ca 0.08 -0.98 0.04 0.00 -0.13 0.00 0.00 55.73 54.74 3fiv s ARG 64 Cb 0.05 -1.88 -0.03 0.00 -1.56 0.00 0.00 34.95 31.53 3fiv s ARG 64 CO -0.09 0.50 0.20 0.20 -0.81 0.00 0.00 175.30 175.30 3fiv s GLY 65 N -0.95 2.13 -0.13 8.12 0.00 0.17 -4.57 107.32 112.08 3fiv s GLY 65 Ca 0.10 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.01 3fiv s GLY 65 CO 0.01 -1.54 -0.14 -1.59 0.00 0.00 0.00 173.10 169.84 3fiv s THR 66 N -3.59 2.92 0.23 0.90 2.01 -0.52 -0.13 115.64 117.46 3fiv s THR 66 Ca 0.37 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 3fiv s THR 66 Cb 0.04 -2.21 -0.08 0.00 0.01 0.00 0.00 72.50 70.26 3fiv s THR 66 CO 0.20 0.53 0.59 0.20 -0.69 0.00 0.00 174.62 175.45 3fiv s ASN 67 N 0.36 6.71 -0.01 3.53 0.01 0.95 -0.79 114.94 125.70 3fiv s ASN 67 Ca -0.12 1.04 0.02 0.00 -0.71 0.00 0.00 52.86 53.09 3fiv s ASN 67 Cb -0.16 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.22 3fiv s ASN 67 CO 0.06 -0.06 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.21 3fiv s TYR 68 N -1.77 0.67 0.42 2.20 1.51 -0.05 -0.61 117.35 119.73 3fiv s TYR 68 Ca 0.47 -0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.45 3fiv s TYR 68 Cb -0.12 -0.47 -0.06 0.00 -0.11 0.00 0.00 41.96 41.20 3fiv s TYR 68 CO 0.20 -0.04 0.08 0.96 -1.11 0.00 0.00 175.55 175.64 3fiv s ILE 69 N 0.03 2.02 -1.02 2.71 -4.36 -0.42 -1.89 121.20 118.28 3fiv s ILE 69 Ca -0.00 -1.88 -0.04 0.00 -0.26 0.00 0.00 60.65 58.47 3fiv s ILE 69 Cb -0.05 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.77 3fiv s ILE 69 CO -0.00 0.00 0.88 -3.20 0.24 0.00 0.00 174.94 172.86 3fiv n ASN 70 N -1.12 -4.14 -4.79 4.36 5.15 -1.02 -2.21 115.26 111.50 3fiv n ASN 70 Ca -0.05 -0.45 -0.37 0.00 -0.60 0.00 0.00 54.58 53.11 3fiv n ASN 70 Cb 0.66 -4.10 -0.06 0.00 -0.53 0.00 0.00 39.78 35.75 3fiv n ASN 70 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3fiv s VAL 71 N -3.26 5.26 -0.19 3.44 1.01 -0.09 -4.18 120.40 122.39 3fiv s VAL 71 Ca 0.28 0.59 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 3fiv s VAL 71 Cb -0.13 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 3fiv s VAL 71 CO 0.57 0.48 0.96 -1.00 0.00 0.00 0.00 175.10 176.12 3fiv s HIS 72 N -0.26 3.40 -0.18 5.22 3.76 -1.26 0.07 115.29 126.04 3fiv s HIS 72 Ca 0.19 1.41 0.01 0.00 -0.15 0.00 0.00 55.06 56.52 3fiv s HIS 72 Cb -0.14 -3.17 0.03 0.00 1.11 0.00 0.00 32.58 30.42 3fiv s HIS 72 CO 0.07 -0.35 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.97 3fiv s LEU 73 N 2.63 2.10 -0.13 0.89 1.43 0.54 -1.30 118.68 124.83 3fiv s LEU 73 Ca 0.43 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3fiv s LEU 73 Cb -0.16 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3fiv s LEU 73 CO 0.11 -0.11 -0.16 -0.70 0.23 0.00 0.00 176.35 175.72 3fiv s GLU 74 N 1.41 2.43 -0.10 1.70 2.12 -0.21 -1.30 118.70 124.76 3fiv s GLU 74 Ca 0.01 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.42 3fiv s GLU 74 Cb -0.15 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.12 3fiv s GLU 74 CO -0.09 -0.13 1.00 0.42 -0.54 0.00 0.00 175.26 175.92 3fiv s ILE 75 N 1.16 4.79 -0.42 -3.70 1.01 -0.42 0.12 121.20 123.74 3fiv s ILE 75 Ca -0.02 2.04 0.07 0.00 0.00 0.00 0.00 60.65 62.75 3fiv s ILE 75 Cb -0.14 -4.31 0.23 0.00 0.01 0.00 0.00 42.46 38.25 3fiv s ILE 75 CO -0.06 0.01 0.50 0.54 0.00 0.00 0.00 174.94 175.94 3fiv n ARG 76 N 4.94 0.79 -4.84 2.79 5.12 -1.12 -3.69 116.66 120.64 3fiv n ARG 76 Ca 0.09 -3.36 -0.27 0.00 -1.93 0.00 0.00 57.85 52.38 3fiv n ARG 76 Cb 0.49 -1.41 -0.16 0.00 -1.16 0.00 0.00 32.46 30.22 3fiv n ARG 76 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3fiv s ASP 77 N -1.06 2.24 0.32 0.55 -1.08 -1.26 -4.77 116.67 111.61 3fiv s ASP 77 Ca 0.35 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 52.06 3fiv s ASP 77 Cb 0.14 -0.80 0.71 0.00 -1.46 0.00 0.00 42.92 41.50 3fiv s ASP 77 CO -0.12 0.12 1.85 1.05 0.52 0.00 0.00 175.17 178.59 3fiv h GLU 78 N 6.52 0.80 -0.00 4.34 -0.00 -1.98 -1.47 114.58 122.78 3fiv h GLU 78 Ca -0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 3fiv h GLU 78 Cb 1.19 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.76 3fiv h GLU 78 CO 0.48 0.53 -0.03 0.09 -0.00 0.00 0.00 179.01 180.07 3fiv n ASN 79 N -4.61 0.22 -4.25 3.06 4.13 -1.26 -4.87 115.26 107.69 3fiv n ASN 79 Ca 0.19 -0.67 -0.14 0.00 1.68 0.00 0.00 54.58 55.64 3fiv n ASN 79 Cb 0.44 -0.11 -0.10 0.00 -1.54 0.00 0.00 39.78 38.47 3fiv n ASN 79 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3fiv s TYR 80 N -2.29 1.25 0.25 3.10 2.02 -0.55 -4.97 117.35 116.15 3fiv s TYR 80 Ca 0.37 -0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 3fiv s TYR 80 Cb 0.21 -0.64 -0.09 0.00 -0.40 0.00 0.00 41.96 41.04 3fiv s TYR 80 CO 0.42 0.07 1.19 0.21 -1.57 0.00 0.00 175.55 175.87 3fiv s LYS 81 N -3.75 4.51 0.12 -0.62 2.20 -1.26 -4.49 119.74 116.44 3fiv s LYS 81 Ca 0.17 1.93 -0.30 0.00 -0.36 0.00 0.00 55.97 57.41 3fiv s LYS 81 Cb 0.03 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 33.10 3fiv s LYS 81 CO 0.00 -0.02 1.04 -0.08 -0.36 0.00 0.00 175.35 175.94 3fiv s THR 82 N -0.63 4.23 0.00 3.43 -1.32 -1.26 -4.84 115.64 115.25 3fiv s THR 82 Ca 0.49 1.83 0.00 0.00 -1.21 0.00 0.00 61.69 62.80 3fiv s THR 82 Cb -0.34 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.48 3fiv s THR 82 CO 0.41 0.27 0.00 0.00 -2.21 0.00 0.00 174.62 173.09 3fiv n GLN 83 N 2.85 0.00 0.00 7.08 6.02 -1.24 -4.97 117.38 127.11 3fiv n GLN 83 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3fiv n GLN 83 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 3fiv n GLN 83 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3fiv n ILE 85 N 0.00 0.00 -3.90 5.09 -5.35 -0.42 -1.30 119.36 113.48 3fiv n ILE 85 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 3fiv n ILE 85 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.81 3fiv n ILE 85 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3fiv s PHE 86 N -2.00 3.30 0.00 4.28 0.40 -1.26 -0.34 117.98 122.36 3fiv s PHE 86 Ca 0.00 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 3fiv s PHE 86 Cb 0.00 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.41 3fiv s PHE 86 CO 0.00 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.50 3fiv n GLY 87 N 3.62 4.58 3.57 4.36 0.00 0.11 -4.83 105.19 116.60 3fiv n GLY 87 Ca -0.16 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 3fiv n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fiv s ASN 88 N 0.58 4.28 -0.00 1.61 0.01 -1.26 -0.91 114.94 119.24 3fiv s ASN 88 Ca 0.00 -0.55 -0.05 0.00 -0.71 0.00 0.00 52.86 51.55 3fiv s ASN 88 Cb 0.00 -0.74 -0.00 0.00 0.41 0.00 0.00 41.25 40.92 3fiv s ASN 88 CO 0.00 0.11 0.10 0.68 -1.51 0.00 0.00 177.10 176.49 3fiv s VAL 89 N -1.63 0.07 -0.15 1.60 -7.23 -0.79 -4.65 120.40 107.62 3fiv s VAL 89 Ca 0.24 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 3fiv s VAL 89 Cb -0.09 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.50 3fiv s VAL 89 CO 0.15 -0.33 -0.17 0.00 -0.31 0.00 0.00 175.10 174.43 3fiv s VAL 91 N 0.78 5.10 -0.36 0.00 1.01 0.03 -1.59 120.40 125.38 3fiv s VAL 91 Ca -0.06 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 3fiv s VAL 91 Cb -0.15 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3fiv s VAL 91 CO -0.00 0.54 0.43 -0.76 0.00 0.00 0.00 175.10 175.31 3fiv s LEU 92 N -0.37 4.48 0.57 3.92 1.43 -0.53 -1.43 118.68 126.75 3fiv s LEU 92 Ca 0.10 -0.24 0.36 0.00 -1.03 0.00 0.00 54.13 53.32 3fiv s LEU 92 Cb -0.12 -2.43 1.66 0.00 0.03 0.00 0.00 46.19 45.33 3fiv s LEU 92 CO 0.01 -0.43 2.08 -0.33 0.23 0.00 0.00 176.35 177.92 3fiv h GLU 93 N 8.51 0.00 -0.19 1.70 4.39 -1.90 -0.44 114.58 126.65 3fiv h GLU 93 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3fiv h GLU 93 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3fiv h GLU 93 CO 0.74 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.19 3fiv n ASP 94 N -3.04 2.07 -3.43 1.42 5.75 -1.26 -4.81 116.55 113.26 3fiv n ASP 94 Ca -0.00 -1.77 -0.24 0.00 -0.01 0.00 0.00 54.79 52.77 3fiv n ASP 94 Cb 0.23 -0.12 -0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3fiv n ASP 94 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3fiv n ASN 95 N 0.59 -3.86 -0.38 -1.12 3.02 -0.80 -4.86 115.26 107.85 3fiv n ASN 95 Ca 0.17 -0.44 0.13 0.00 -0.03 0.00 0.00 54.58 54.41 3fiv n ASN 95 Cb 0.40 -3.18 0.33 0.00 -0.61 0.00 0.00 39.78 36.72 3fiv n ASN 95 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3fiv n SER 96 N -2.35 1.40 -4.70 6.41 3.41 -1.26 -4.92 113.62 111.61 3fiv n SER 96 Ca -0.01 -1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 56.99 3fiv n SER 96 Cb 0.54 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 3fiv n SER 96 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fiv s LEU 97 N -2.36 4.35 0.22 1.04 1.43 -1.26 -4.90 118.68 117.20 3fiv s LEU 97 Ca 0.27 2.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.59 3fiv s LEU 97 Cb 0.19 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 43.04 3fiv s LEU 97 CO 0.48 -0.70 1.58 0.40 0.23 0.00 0.00 176.35 178.34 3fiv h ILE 98 N 4.58 1.30 -2.61 -0.59 1.08 -2.02 -3.45 117.51 115.80 3fiv h ILE 98 Ca -0.40 -1.60 -0.10 0.00 -0.39 0.00 0.00 64.86 62.36 3fiv h ILE 98 Cb 1.20 1.59 -0.22 0.00 -3.07 0.00 0.00 36.82 36.31 3fiv h ILE 98 CO 0.88 0.50 -0.14 -1.58 -0.69 0.00 0.00 178.15 177.13 3fiv s GLN 99 N -4.21 0.64 0.35 2.37 2.00 -1.26 -5.14 119.66 114.41 3fiv s GLN 99 Ca -0.07 0.43 -0.28 0.00 -2.00 0.00 0.00 55.36 53.43 3fiv s GLN 99 Cb 0.12 0.31 -0.10 0.00 0.80 0.00 0.00 33.01 34.14 3fiv s GLN 99 CO 0.83 -0.12 1.27 -2.14 -0.50 0.00 0.00 175.29 174.62 3fiv s PRO 100 N -0.27 4.29 -0.14 1.67 0.02 -1.26 -4.90 135.00 134.40 3fiv s PRO 100 Ca -0.04 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.12 3fiv s PRO 100 Cb -0.03 -2.99 -0.00 0.00 0.02 0.00 0.00 34.50 31.49 3fiv s PRO 100 CO 0.03 -0.21 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.81 3fiv s LEU 101 N -1.94 2.45 -0.40 -5.54 1.43 -0.75 -0.33 118.68 113.61 3fiv s LEU 101 Ca 0.51 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 3fiv s LEU 101 Cb -0.38 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3fiv s LEU 101 CO 0.50 0.12 0.44 -0.22 0.23 0.00 0.00 176.35 177.42 3fiv s LEU 102 N 0.61 4.68 0.00 1.79 2.96 0.34 -1.94 118.68 127.12 3fiv s LEU 102 Ca -0.09 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3fiv s LEU 102 Cb -0.16 -2.42 0.10 0.00 0.50 0.00 0.00 46.19 44.21 3fiv s LEU 102 CO 0.03 -0.53 0.72 0.61 -1.32 0.00 0.00 176.35 175.86 3fiv n GLY 103 N 5.03 0.79 0.30 7.98 0.00 -1.25 -0.81 105.19 117.23 3fiv n GLY 103 Ca -0.07 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 43.97 3fiv n GLY 103 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fiv h ARG 104 N 0.00 0.43 -0.73 1.61 3.08 -0.83 -2.35 114.38 115.58 3fiv h ARG 104 Ca -0.24 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 59.94 3fiv h ARG 104 Cb 0.90 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.74 3fiv h ARG 104 CO 0.26 0.30 0.12 0.38 -1.07 0.00 0.00 179.97 179.97 3fiv h ASP 105 N 0.44 -0.10 0.42 7.04 2.03 -1.70 -2.05 116.42 122.50 3fiv h ASP 105 Ca 0.12 0.16 -0.25 0.00 -0.73 0.00 0.00 57.03 56.33 3fiv h ASP 105 Cb -0.02 0.24 -0.04 0.00 -0.83 0.00 0.00 39.33 38.68 3fiv h ASP 105 CO -0.02 -0.09 -1.78 0.59 -1.03 0.00 0.00 179.24 176.92 3fiv n ASN 106 N -5.22 0.61 -0.21 4.15 3.02 -1.11 -4.04 115.26 112.47 3fiv n ASN 106 Ca 0.14 0.28 -0.02 0.00 -0.03 0.00 0.00 54.58 54.94 3fiv n ASN 106 Cb 0.47 0.40 0.17 0.00 -0.61 0.00 0.00 39.78 40.21 3fiv n ASN 106 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3fiv h MET 107 N 0.00 0.99 -0.49 3.52 2.86 -1.09 -1.69 114.93 119.03 3fiv h MET 107 Ca -0.28 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.26 3fiv h MET 107 Cb 1.85 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 33.28 3fiv h MET 107 CO 0.05 0.78 0.22 0.82 1.06 0.00 0.00 176.91 179.84 3fiv h ILE 108 N 0.99 0.92 0.00 -1.22 2.04 -1.54 0.22 117.51 118.91 3fiv h ILE 108 Ca 0.24 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 3fiv h ILE 108 Cb 0.13 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3fiv h ILE 108 CO -0.03 0.08 -0.28 0.11 0.00 0.00 0.00 178.15 178.03 3fiv h LYS 109 N 0.44 0.00 -0.01 2.37 1.57 -1.52 -2.54 116.57 116.88 3fiv h LYS 109 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3fiv h LYS 109 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3fiv h LYS 109 CO -0.18 0.28 -0.17 1.19 -0.57 0.00 0.00 179.45 180.00 3fiv n PHE 110 N -3.88 0.00 -3.34 -1.35 3.72 -0.70 -4.96 117.46 106.95 3fiv n PHE 110 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 3fiv n PHE 110 Cb 0.36 -0.06 0.08 0.00 -0.94 0.00 0.00 39.48 38.92 3fiv n PHE 110 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3fiv n ASN 111 N -0.17 -2.96 -4.78 4.37 4.05 -0.09 -4.99 115.26 110.70 3fiv n ASN 111 Ca 0.14 -0.54 -0.38 0.00 0.45 0.00 0.00 54.58 54.25 3fiv n ASN 111 Cb 0.38 -4.66 -0.06 0.00 1.23 0.00 0.00 39.78 36.67 3fiv n ASN 111 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3fiv s ILE 112 N -3.32 5.06 0.10 -1.44 1.01 -0.32 -5.03 121.20 117.28 3fiv s ILE 112 Ca 0.12 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.73 3fiv s ILE 112 Cb -0.05 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3fiv s ILE 112 CO 0.66 0.47 -0.09 -0.13 0.00 0.00 0.00 174.94 175.84 3fiv s ARG 113 N -0.34 0.87 -0.03 2.79 0.52 -1.26 -4.62 118.95 116.88 3fiv s ARG 113 Ca 0.25 -1.24 -0.10 0.00 -0.52 0.00 0.00 55.73 54.12 3fiv s ARG 113 Cb -0.16 -0.46 -0.05 0.00 0.52 0.00 0.00 34.95 34.80 3fiv s ARG 113 CO 0.12 0.06 0.29 -0.51 0.02 0.00 0.00 175.30 175.28 3fiv s LEU 114 N -2.68 4.41 -0.03 2.53 1.43 -1.26 -5.08 118.68 117.99 3fiv s LEU 114 Ca 0.08 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3fiv s LEU 114 Cb -0.00 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.77 3fiv s LEU 114 CO -0.01 0.32 -0.02 -0.69 0.23 0.00 0.00 176.35 176.19 3fiv s VAL 115 N -1.14 0.31 -0.32 -1.59 1.01 -1.26 -5.28 120.40 112.14 3fiv s VAL 115 Ca 0.23 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.23 3fiv s VAL 115 Cb -0.14 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3fiv s VAL 115 CO 0.11 0.17 0.58 0.80 0.00 0.00 0.00 175.10 176.77