#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwv h ALA 3 N 0.00 2.80 -0.17 -1.67 0.00 -2.03 0.15 119.26 118.35 1fwv h ALA 3 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1fwv h ALA 3 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1fwv h ALA 3 CO 0.00 -1.18 -0.43 0.00 0.00 0.00 0.00 179.25 177.64 1fwv h ARG 4 N 0.00 0.41 -6.92 0.00 3.08 -1.95 -3.44 114.38 105.56 1fwv h ARG 4 Ca 0.43 -0.21 -0.52 0.00 0.07 0.00 0.00 59.98 59.75 1fwv h ARG 4 Cb 1.85 0.01 0.07 0.00 0.08 0.00 0.00 29.97 31.97 1fwv h ARG 4 CO -0.00 0.77 0.58 -0.65 -1.07 0.00 0.00 179.97 179.60 1fwv s GLN 5 N -4.15 4.15 0.31 0.04 -0.21 0.53 -4.55 119.66 115.79 1fwv s GLN 5 Ca -0.06 2.07 -0.14 0.00 0.02 0.00 0.00 55.36 57.25 1fwv s GLN 5 Cb 0.13 -2.87 0.02 0.00 1.00 0.00 0.00 33.01 31.29 1fwv s GLN 5 CO 0.80 -0.31 0.62 -0.59 -2.12 0.00 0.00 175.29 173.70 1fwv s PHE 6 N -1.25 0.26 -0.06 0.91 -0.12 0.12 -4.91 117.98 112.94 1fwv s PHE 6 Ca 0.54 -0.71 0.03 0.00 -0.05 0.00 0.00 56.93 56.73 1fwv s PHE 6 Cb -0.36 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 1fwv s PHE 6 CO 0.47 -1.23 -0.14 -0.51 -0.05 0.00 0.00 175.22 173.76 1fwv s LEU 7 N -3.04 2.76 -0.36 -1.99 1.02 -1.26 -1.12 118.68 114.68 1fwv s LEU 7 Ca 0.19 -0.20 -0.19 0.00 0.02 0.00 0.00 54.13 53.95 1fwv s LEU 7 Cb -0.03 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.61 1fwv s LEU 7 CO 0.11 0.33 0.56 -0.63 0.02 0.00 0.00 176.35 176.74 1fwv s ILE 8 N -0.62 4.96 -0.10 -0.59 1.01 -1.26 -0.29 121.20 124.30 1fwv s ILE 8 Ca 0.09 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1fwv s ILE 8 Cb -0.11 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1fwv s ILE 8 CO 0.01 -0.30 -0.10 -0.47 0.00 0.00 0.00 174.94 174.09 1fwv s TYR 9 N 2.52 2.87 -0.29 3.97 5.04 0.10 -1.04 117.35 130.51 1fwv s TYR 9 Ca 0.20 -0.26 -0.06 0.00 -2.44 0.00 0.00 57.07 54.52 1fwv s TYR 9 Cb -0.15 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.40 1fwv s TYR 9 CO 0.14 0.08 0.05 1.21 -1.34 0.00 0.00 175.55 175.70 1fwv s ASN 10 N -0.26 4.99 0.13 4.32 3.84 -0.31 -0.82 114.94 126.83 1fwv s ASN 10 Ca 0.03 -0.75 -0.19 0.00 0.21 0.00 0.00 52.86 52.16 1fwv s ASN 10 Cb -0.13 -1.84 -0.01 0.00 -0.55 0.00 0.00 41.25 38.72 1fwv s ASN 10 CO 0.03 -0.18 1.73 -0.08 -2.79 0.00 0.00 177.10 175.81 1fwv h GLU 11 N 8.19 0.12 -0.41 0.43 4.81 -1.87 0.14 114.58 126.00 1fwv h GLU 11 Ca -0.31 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1fwv h GLU 11 Cb 1.12 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 1fwv h GLU 11 CO 0.60 0.08 0.05 0.22 -0.73 0.00 0.00 179.01 179.23 1fwv h ASP 12 N 0.13 -0.05 1.15 1.04 -0.00 -1.92 -2.41 116.42 114.36 1fwv h ASP 12 Ca 0.11 0.08 0.00 0.00 -0.00 0.00 0.00 57.03 57.22 1fwv h ASP 12 Cb 0.11 0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1fwv h ASP 12 CO -0.15 0.01 -0.45 0.45 -0.00 0.00 0.00 179.24 179.10 1fwv h HIS 13 N 0.17 0.00 -5.84 0.28 3.86 -1.91 -3.48 115.15 108.25 1fwv h HIS 13 Ca 0.20 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.03 1fwv h HIS 13 Cb 0.26 0.00 0.13 0.00 1.06 0.00 0.00 27.41 28.85 1fwv h HIS 13 CO -0.22 0.00 -0.74 1.63 0.86 0.00 0.00 177.93 179.45 1fwv n LYS 14 N -2.32 -6.85 -4.18 2.45 5.02 0.48 -5.00 118.16 107.76 1fwv n LYS 14 Ca 0.04 0.79 -0.11 0.00 -2.02 0.00 0.00 58.31 57.00 1fwv n LYS 14 Cb 0.46 -5.76 -0.10 0.00 -0.02 0.00 0.00 35.03 29.61 1fwv n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1fwv s ARG 15 N -5.91 0.86 0.16 1.97 0.52 -1.15 -4.60 118.95 110.80 1fwv s ARG 15 Ca 0.28 -1.32 0.11 0.00 -0.52 0.00 0.00 55.73 54.28 1fwv s ARG 15 Cb -0.13 -0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.01 1fwv s ARG 15 CO 0.75 0.01 -0.22 0.00 0.02 0.00 0.00 175.30 175.85 1fwv s VAL 17 N -1.38 2.42 -0.12 0.00 1.01 -0.21 -0.79 120.40 121.33 1fwv s VAL 17 Ca 0.19 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 1fwv s VAL 17 Cb -0.09 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1fwv s VAL 17 CO 0.09 0.07 -0.03 -0.62 0.00 0.00 0.00 175.10 174.61 1fwv s ASP 18 N 0.17 2.20 -0.31 3.32 2.15 0.12 -4.52 116.67 119.80 1fwv s ASP 18 Ca 0.57 -0.36 -0.25 0.00 0.43 0.00 0.00 52.55 52.94 1fwv s ASP 18 Cb -0.44 -0.70 0.01 0.00 -0.30 0.00 0.00 42.92 41.49 1fwv s ASP 18 CO 0.49 -0.18 0.87 0.00 -0.17 0.00 0.00 175.17 176.19 1fwv s ALA 19 N 1.80 3.52 -0.17 3.66 0.00 -0.29 -0.08 121.76 130.21 1fwv s ALA 19 Ca 0.03 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.75 1fwv s ALA 19 Cb -0.13 -3.41 -0.23 0.00 0.00 0.00 0.00 23.12 19.35 1fwv s ALA 19 CO -0.07 -1.28 0.17 1.28 0.00 0.00 0.00 175.76 175.86 1fwv n LEU 20 N 6.39 1.58 -3.83 0.00 4.77 0.88 -4.78 117.00 122.00 1fwv n LEU 20 Ca 0.06 0.09 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 1fwv n LEU 20 Cb 0.48 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1fwv n LEU 20 CO 0.53 0.67 0.86 -0.94 -1.33 0.00 0.00 177.39 177.18 1fwv s SER 21 N -6.23 -0.04 0.63 -1.43 1.04 -0.71 -4.94 113.70 102.02 1fwv s SER 21 Ca -0.19 -0.49 0.37 0.00 0.48 0.00 0.00 55.95 56.12 1fwv s SER 21 Cb 0.07 0.41 2.09 0.00 0.10 0.00 0.00 66.02 68.69 1fwv s SER 21 CO 0.75 -0.80 2.27 0.00 0.98 0.00 0.00 173.24 176.44 1fwv h ALA 22 N 2.00 1.30 -0.16 5.32 0.00 -1.97 -1.57 119.26 124.18 1fwv h ALA 22 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1fwv h ALA 22 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1fwv h ALA 22 CO 0.32 -0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.95 1fwv n ILE 23 N -3.42 1.83 -3.40 0.00 -5.35 -1.26 -1.37 119.36 106.39 1fwv n ILE 23 Ca -0.02 -1.79 -0.11 0.00 -0.27 0.00 0.00 62.75 60.56 1fwv n ILE 23 Cb 0.12 -0.06 -0.09 0.00 -1.74 0.00 0.00 39.64 37.87 1fwv n ILE 23 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1fwv s SER 24 N -2.01 0.44 -0.21 7.28 0.15 -0.59 -4.97 113.70 113.78 1fwv s SER 24 Ca 0.31 0.19 -0.00 0.00 0.70 0.00 0.00 55.95 57.14 1fwv s SER 24 Cb 0.25 0.98 0.06 0.00 -1.71 0.00 0.00 66.02 65.59 1fwv s SER 24 CO 0.07 -0.30 -0.03 -0.69 1.20 0.00 0.00 173.24 173.49 1fwv s VAL 25 N 2.50 1.21 0.00 4.45 1.01 -1.26 -0.09 120.40 128.22 1fwv s VAL 25 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1fwv s VAL 25 Cb -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1fwv s VAL 25 CO -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 175.10 174.86 1fwv n GLN 26 N 4.80 3.54 -4.24 2.72 6.02 0.89 -1.00 117.38 130.12 1fwv n GLN 26 Ca -0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.74 1fwv n GLN 26 Cb 0.45 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.61 1fwv n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1fwv s THR 27 N 2.96 0.57 0.20 5.09 -4.23 -1.26 0.14 115.64 119.11 1fwv s THR 27 Ca 0.00 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.30 1fwv s THR 27 Cb 0.00 -2.22 0.05 0.00 1.34 0.00 0.00 72.50 71.67 1fwv s THR 27 CO 0.00 -0.37 0.85 0.00 -0.54 0.00 0.00 174.62 174.56 1fwv s ALA 28 N -3.73 -1.48 0.29 3.99 0.00 0.03 -4.73 121.76 116.12 1fwv s ALA 28 Ca 0.27 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 1fwv s ALA 28 Cb 0.07 0.73 -0.11 0.00 0.00 0.00 0.00 23.12 23.80 1fwv s ALA 28 CO 0.06 -1.02 1.57 0.99 0.00 0.00 0.00 175.76 177.35 1fwv s THR 29 N -3.55 2.17 0.27 0.00 2.01 -1.26 -1.13 115.64 114.14 1fwv s THR 29 Ca 0.11 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 1fwv s THR 29 Cb -0.03 -3.09 -0.11 0.00 0.01 0.00 0.00 72.50 69.28 1fwv s THR 29 CO 0.03 0.02 1.53 0.00 -0.69 0.00 0.00 174.62 175.51 1fwv s ASN 31 N 0.45 0.96 0.08 0.00 3.84 -1.26 -5.02 114.94 114.00 1fwv s ASN 31 Ca 0.62 -0.29 0.08 0.00 0.21 0.00 0.00 52.86 53.48 1fwv s ASN 31 Cb -0.45 0.77 0.40 0.00 -0.55 0.00 0.00 41.25 41.42 1fwv s ASN 31 CO 0.45 -0.34 1.25 -0.81 -2.79 0.00 0.00 177.10 174.86 1fwv n PRO 32 N 5.34 0.04 0.01 0.43 -0.04 -1.26 -1.69 135.00 137.83 1fwv n PRO 32 Ca -0.03 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1fwv n PRO 32 Cb 0.49 -1.62 0.16 0.00 -0.04 0.00 0.00 33.50 32.49 1fwv n PRO 32 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1fwv n GLU 33 N -1.70 0.07 -2.90 0.54 1.02 -1.26 -4.85 120.64 111.56 1fwv n GLU 33 Ca 0.00 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 1fwv n GLU 33 Cb 0.05 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 1fwv n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fwv s ALA 34 N -3.04 3.36 0.28 0.62 0.00 -0.68 -4.93 121.76 117.37 1fwv s ALA 34 Ca 0.09 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1fwv s ALA 34 Cb 0.16 -3.47 0.59 0.00 0.00 0.00 0.00 23.12 20.40 1fwv s ALA 34 CO 0.74 -1.70 1.82 0.93 0.00 0.00 0.00 175.76 177.54 1fwv h GLU 35 N 8.69 0.90 0.00 0.00 4.39 -1.88 0.56 114.58 127.23 1fwv h GLU 35 Ca -0.24 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1fwv h GLU 35 Cb 1.09 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1fwv h GLU 35 CO 0.96 0.59 0.00 -1.13 -1.16 0.00 0.00 179.01 178.27 1fwv n SER 36 N -4.67 0.57 -0.50 1.42 3.41 -1.26 -1.01 113.62 111.58 1fwv n SER 36 Ca 0.20 0.75 0.11 0.00 -0.26 0.00 0.00 58.87 59.66 1fwv n SER 36 Cb 0.40 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1fwv n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fwv n GLN 37 N -2.25 1.34 -3.29 4.33 6.02 0.18 -1.14 117.38 122.57 1fwv n GLN 37 Ca -0.01 -1.03 -0.38 0.00 -0.01 0.00 0.00 57.00 55.57 1fwv n GLN 37 Cb 0.06 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 1fwv n GLN 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1fwv s LYS 38 N -2.36 4.25 0.16 -1.09 1.02 -0.18 -4.41 119.74 117.13 1fwv s LYS 38 Ca 0.18 0.59 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1fwv s LYS 38 Cb 0.17 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1fwv s LYS 38 CO 0.53 0.38 0.01 -0.06 -0.92 0.00 0.00 175.35 175.29 1fwv s PHE 39 N -0.15 1.15 -0.21 3.18 0.40 -0.28 -0.87 117.98 121.21 1fwv s PHE 39 Ca 0.28 -1.04 -0.24 0.00 -0.60 0.00 0.00 56.93 55.33 1fwv s PHE 39 Cb -0.17 -0.66 0.06 0.00 0.51 0.00 0.00 43.02 42.77 1fwv s PHE 39 CO 0.15 -0.25 0.65 -0.98 0.70 0.00 0.00 175.22 175.49 1fwv s ARG 40 N -3.93 0.82 0.26 0.44 1.70 -0.38 -0.70 118.95 117.15 1fwv s ARG 40 Ca 0.23 0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 55.98 1fwv s ARG 40 Cb 0.06 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.74 1fwv s ARG 40 CO 0.03 -0.13 1.20 -1.58 -1.08 0.00 0.00 175.30 173.74 1fwv s TRP 41 N 0.05 3.37 0.00 5.89 0.52 -1.26 -0.03 118.94 127.48 1fwv s TRP 41 Ca -0.02 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.60 1fwv s TRP 41 Cb -0.04 -3.46 0.00 0.00 -1.15 0.00 0.00 33.47 28.82 1fwv s TRP 41 CO 0.03 -1.20 0.70 1.33 0.02 0.00 0.00 176.95 177.83 1fwv n VAL 42 N 1.64 0.41 -3.87 4.03 0.24 -0.59 -4.88 118.33 115.30 1fwv n VAL 42 Ca 0.02 -0.70 -0.01 0.00 -2.04 0.00 0.00 64.34 61.61 1fwv n VAL 42 Cb 0.44 0.80 0.02 0.00 -1.47 0.00 0.00 33.84 33.62 1fwv n VAL 42 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1fwv n SER 43 N -0.20 -1.27 0.28 -1.34 3.41 -1.25 -4.95 113.62 108.30 1fwv n SER 43 Ca 0.00 -1.56 0.19 0.00 -0.26 0.00 0.00 58.87 57.24 1fwv n SER 43 Cb 0.10 2.04 0.89 0.00 -0.26 0.00 0.00 64.21 66.99 1fwv n SER 43 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1fwv h ASP 44 N 1.63 0.00 0.00 4.04 3.45 -1.97 -3.31 116.42 120.25 1fwv h ASP 44 Ca -0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1fwv h ASP 44 Cb 0.98 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1fwv h ASP 44 CO 0.28 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.41 1fwv n SER 45 N -2.93 0.27 -4.43 6.45 3.41 -1.26 -4.86 113.62 110.27 1fwv n SER 45 Ca -0.01 -0.87 -0.31 0.00 -0.26 0.00 0.00 58.87 57.42 1fwv n SER 45 Cb 0.17 0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.03 1fwv n SER 45 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fwv s GLN 46 N -0.05 2.19 -0.11 4.33 -0.21 -1.25 0.38 119.66 124.95 1fwv s GLN 46 Ca 0.00 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.51 1fwv s GLN 46 Cb 0.00 -2.21 -0.01 0.00 1.00 0.00 0.00 33.01 31.79 1fwv s GLN 46 CO 0.00 0.57 -0.19 0.42 -2.12 0.00 0.00 175.29 173.96 1fwv s ILE 47 N -0.81 2.48 -0.09 1.08 1.01 -1.26 -1.54 121.20 122.08 1fwv s ILE 47 Ca 0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1fwv s ILE 47 Cb -0.10 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1fwv s ILE 47 CO 0.03 0.55 -0.05 -0.32 0.00 0.00 0.00 174.94 175.14 1fwv s MET 48 N 0.31 2.97 -0.08 2.79 1.75 0.96 -1.38 119.30 126.61 1fwv s MET 48 Ca -0.15 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 53.48 1fwv s MET 48 Cb -0.17 -2.69 -0.03 0.00 2.84 0.00 0.00 34.83 34.78 1fwv s MET 48 CO 0.07 0.59 1.24 0.45 -0.65 0.00 0.00 175.02 176.72 1fwv s SER 49 N -0.59 7.00 0.17 1.11 0.15 0.19 -1.25 113.70 120.49 1fwv s SER 49 Ca 0.09 1.81 -0.12 0.00 0.70 0.00 0.00 55.95 58.43 1fwv s SER 49 Cb -0.12 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1fwv s SER 49 CO 0.02 -0.64 1.72 0.58 1.20 0.00 0.00 173.24 176.12 1fwv h VAL 50 N 5.13 1.23 -0.49 4.45 2.07 -1.25 0.16 116.25 127.55 1fwv h VAL 50 Ca -0.32 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1fwv h VAL 50 Cb 1.15 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1fwv h VAL 50 CO 0.91 0.28 0.16 0.00 0.02 0.00 0.00 177.57 178.94 1fwv h ALA 51 N 1.08 0.64 0.00 1.67 0.00 -1.75 -3.30 119.26 117.60 1fwv h ALA 51 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fwv h ALA 51 Cb 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1fwv h ALA 51 CO -0.01 0.28 -0.99 1.19 0.00 0.00 0.00 179.25 179.72 1fwv n PHE 52 N -4.52 0.02 -3.44 0.00 3.01 -1.20 -4.98 117.46 106.35 1fwv n PHE 52 Ca 0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.24 1fwv n PHE 52 Cb 0.18 -0.09 0.06 0.00 -0.01 0.00 0.00 39.48 39.62 1fwv n PHE 52 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1fwv n LYS 53 N -1.57 -6.57 -4.28 -1.08 4.76 0.54 -4.99 118.16 104.97 1fwv n LYS 53 Ca 0.04 0.82 -0.16 0.00 -2.87 0.00 0.00 58.31 56.14 1fwv n LYS 53 Cb 0.35 -5.79 -0.10 0.00 -1.84 0.00 0.00 35.03 27.66 1fwv n LYS 53 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fwv s LEU 54 N -7.09 2.52 -0.07 -0.35 1.43 -1.22 -4.72 118.68 109.18 1fwv s LEU 54 Ca 0.50 -1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 1fwv s LEU 54 Cb -0.23 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1fwv s LEU 54 CO 0.62 -0.29 0.13 0.00 0.23 0.00 0.00 176.35 177.03 1fwv s LEU 56 N -1.34 4.37 0.00 0.00 1.43 -0.48 -0.47 118.68 122.19 1fwv s LEU 56 Ca 0.19 2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.67 1fwv s LEU 56 Cb -0.12 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.56 1fwv s LEU 56 CO 0.09 -0.75 0.77 0.61 0.23 0.00 0.00 176.35 177.30 1fwv n GLY 57 N 3.44 0.99 3.21 -3.19 0.00 0.05 -4.56 105.19 105.13 1fwv n GLY 57 Ca 0.12 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1fwv n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fwv s VAL 58 N -2.15 0.93 0.29 1.61 -7.23 0.06 -1.11 120.40 112.81 1fwv s VAL 58 Ca 0.16 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.41 1fwv s VAL 58 Cb -0.04 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1fwv s VAL 58 CO 0.10 -0.80 1.67 1.55 -0.31 0.00 0.00 175.10 177.32 1fwv h PRO 59 N 2.86 0.15 -2.61 4.82 0.13 -1.88 -3.45 132.00 132.02 1fwv h PRO 59 Ca -0.36 -0.08 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1fwv h PRO 59 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1fwv h PRO 59 CO 0.64 0.61 0.37 -1.54 -0.23 0.00 0.00 178.00 177.85 1fwv s SER 60 N -6.88 -0.45 -1.37 1.44 1.04 -1.26 -5.05 113.70 101.17 1fwv s SER 60 Ca -0.03 -0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.26 1fwv s SER 60 Cb 0.13 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.82 1fwv s SER 60 CO 0.77 -0.78 2.01 0.29 0.98 0.00 0.00 173.24 176.50 1fwv n LYS 61 N -0.31 3.16 -4.71 4.02 5.02 -1.26 -4.84 118.16 119.24 1fwv n LYS 61 Ca -0.12 -3.05 -0.24 0.00 -2.02 0.00 0.00 58.31 52.88 1fwv n LYS 61 Cb 0.63 -3.20 -0.15 0.00 -0.02 0.00 0.00 35.03 32.30 1fwv n LYS 61 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fwv s THR 62 N 2.41 1.35 0.16 -0.18 2.01 -1.26 -5.09 115.64 115.03 1fwv s THR 62 Ca 0.45 -0.83 -0.34 0.00 0.31 0.00 0.00 61.69 61.28 1fwv s THR 62 Cb 0.10 -1.14 -0.14 0.00 0.01 0.00 0.00 72.50 71.33 1fwv s THR 62 CO -0.03 0.30 1.54 -0.67 -0.69 0.00 0.00 174.62 175.06 1fwv n ASP 63 N 2.43 2.90 -0.62 3.53 2.03 -1.26 -1.25 116.55 124.31 1fwv n ASP 63 Ca -0.15 1.09 -0.08 0.00 0.52 0.00 0.00 54.79 56.17 1fwv n ASP 63 Cb 0.54 -1.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.51 1fwv n ASP 63 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1fwv n TRP 64 N 3.20 0.00 -2.57 -0.67 -0.00 0.10 -4.99 117.44 112.52 1fwv n TRP 64 Ca 0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.28 1fwv n TRP 64 Cb 0.28 -1.66 -0.05 0.00 -0.00 0.00 0.00 31.31 29.89 1fwv n TRP 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1fwv s ALA 65 N -2.30 3.31 0.31 5.87 0.00 -0.38 -4.73 121.76 123.84 1fwv s ALA 65 Ca 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 1fwv s ALA 65 Cb 0.00 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 1fwv s ALA 65 CO 0.00 -0.08 1.01 -1.12 0.00 0.00 0.00 175.76 175.57 1fwv s SER 66 N -1.15 7.26 -0.39 0.00 0.01 -1.26 -1.44 113.70 116.74 1fwv s SER 66 Ca 0.47 2.02 -0.13 0.00 1.31 0.00 0.00 55.95 59.62 1fwv s SER 66 Cb -0.28 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.38 1fwv s SER 66 CO 0.35 -0.13 0.25 -0.69 0.41 0.00 0.00 173.24 173.43 1fwv s VAL 67 N -1.41 4.92 0.00 3.43 1.01 -0.46 -4.24 120.40 123.65 1fwv s VAL 67 Ca 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1fwv s VAL 67 Cb -0.24 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1fwv s VAL 67 CO 0.31 -0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.50 1fwv n THR 68 N 5.08 0.00 -4.78 3.92 -2.24 -0.27 -4.31 114.28 111.69 1fwv n THR 68 Ca -0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1fwv n THR 68 Cb 0.47 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.57 1fwv n THR 68 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fwv s LEU 69 N 0.00 2.85 0.12 3.22 1.43 -0.47 -0.77 118.68 125.06 1fwv s LEU 69 Ca 0.00 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1fwv s LEU 69 Cb 0.00 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1fwv s LEU 69 CO 0.00 0.29 -0.10 -0.31 0.23 0.00 0.00 176.35 176.46 1fwv s TYR 70 N -0.38 1.13 0.15 0.29 1.51 0.38 -4.71 117.35 115.73 1fwv s TYR 70 Ca 0.04 -0.73 -0.32 0.00 -1.01 0.00 0.00 57.07 55.05 1fwv s TYR 70 Cb -0.12 -0.60 -0.12 0.00 -0.11 0.00 0.00 41.96 41.01 1fwv s TYR 70 CO 0.02 0.02 1.76 0.00 -1.11 0.00 0.00 175.55 176.24 1fwv n ALA 71 N 0.16 2.25 -1.69 3.71 0.00 -1.26 -0.30 120.51 123.37 1fwv n ALA 71 Ca -0.13 0.36 -0.44 0.00 0.00 0.00 0.00 53.44 53.23 1fwv n ALA 71 Cb 0.59 -2.53 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 1fwv n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwv s ASP 73 N 1.43 1.38 0.26 0.00 3.68 -1.26 -5.02 116.67 117.13 1fwv s ASP 73 Ca 0.78 -0.31 0.19 0.00 2.13 0.00 0.00 52.55 55.34 1fwv s ASP 73 Cb -0.58 0.47 0.98 0.00 -1.45 0.00 0.00 42.92 42.34 1fwv s ASP 73 CO 0.36 -0.34 1.58 -1.54 0.13 0.00 0.00 175.17 175.36 1fwv n SER 74 N 5.32 0.49 0.07 -0.34 3.41 -1.26 -1.68 113.62 119.63 1fwv n SER 74 Ca -0.05 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1fwv n SER 74 Cb 0.49 -0.78 0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1fwv n SER 74 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fwv n LYS 75 N -2.14 0.42 -2.71 4.33 4.01 -1.26 -4.91 118.16 115.90 1fwv n LYS 75 Ca -0.01 0.09 -0.41 0.00 -0.51 0.00 0.00 58.31 57.47 1fwv n LYS 75 Cb 0.06 -1.73 -0.04 0.00 -0.51 0.00 0.00 35.03 32.81 1fwv n LYS 75 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1fwv s SER 76 N -4.64 7.48 0.03 4.39 0.15 -0.68 -4.96 113.70 115.48 1fwv s SER 76 Ca 0.03 1.82 0.24 0.00 0.70 0.00 0.00 55.95 58.74 1fwv s SER 76 Cb 0.12 -2.59 0.27 0.00 -1.71 0.00 0.00 66.02 62.10 1fwv s SER 76 CO 0.76 -0.07 1.23 -0.62 1.20 0.00 0.00 173.24 175.74 1fwv n GLU 77 N 2.73 0.12 -0.01 5.44 1.02 -1.26 -3.94 120.64 124.74 1fwv n GLU 77 Ca 0.02 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1fwv n GLU 77 Cb 0.49 -1.55 0.66 0.00 -0.02 0.00 0.00 31.44 31.02 1fwv n GLU 77 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1fwv n TYR 78 N -1.72 0.03 -1.91 -0.32 4.02 -1.26 -3.25 117.16 112.76 1fwv n TYR 78 Ca 0.04 -0.01 0.04 0.00 -0.01 0.00 0.00 57.90 57.96 1fwv n TYR 78 Cb 0.38 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.78 1fwv n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fwv n GLN 79 N -0.59 0.59 -4.21 -0.72 10.64 -1.25 -0.76 117.38 121.08 1fwv n GLN 79 Ca 0.18 -2.14 -0.34 0.00 -1.83 0.00 0.00 57.00 52.88 1fwv n GLN 79 Cb 0.15 -0.77 -0.11 0.00 -0.86 0.00 0.00 30.24 28.65 1fwv n GLN 79 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1fwv s LYS 80 N -1.25 3.80 0.31 2.61 1.02 -1.20 -4.41 119.74 120.62 1fwv s LYS 80 Ca 0.26 -0.44 0.08 0.00 0.02 0.00 0.00 55.97 55.88 1fwv s LYS 80 Cb 0.26 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 34.45 1fwv s LYS 80 CO -0.07 0.24 -0.07 -1.58 -0.92 0.00 0.00 175.35 172.96 1fwv s TRP 81 N 0.41 2.16 0.09 3.18 0.52 0.16 -1.40 118.94 124.06 1fwv s TRP 81 Ca -0.01 -0.63 -0.18 0.00 0.02 0.00 0.00 56.10 55.30 1fwv s TRP 81 Cb -0.13 -1.26 0.04 0.00 -1.15 0.00 0.00 33.47 30.97 1fwv s TRP 81 CO 0.02 0.40 0.44 -1.83 0.02 0.00 0.00 176.95 176.00 1fwv s GLU 82 N -3.68 1.04 -0.11 4.98 -1.05 -0.66 -4.59 118.70 114.63 1fwv s GLU 82 Ca 0.31 -0.50 -0.15 0.00 -0.15 0.00 0.00 54.97 54.47 1fwv s GLU 82 Cb 0.04 0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 34.14 1fwv s GLU 82 CO 0.14 -0.39 0.38 0.00 0.95 0.00 0.00 175.26 176.34 1fwv n LYS 84 N 3.19 3.21 -3.99 0.00 4.76 0.19 -5.01 118.16 120.49 1fwv n LYS 84 Ca -0.11 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.05 1fwv n LYS 84 Cb 0.52 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.66 1fwv n LYS 84 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1fwv s ASN 85 N -1.00 5.97 -1.43 4.39 4.22 -1.26 -4.59 114.94 121.24 1fwv s ASN 85 Ca 0.00 0.09 -0.01 0.00 -2.14 0.00 0.00 52.86 50.80 1fwv s ASN 85 Cb 0.00 -1.72 0.01 0.00 1.28 0.00 0.00 41.25 40.82 1fwv s ASN 85 CO 0.00 0.11 0.40 0.47 -2.04 0.00 0.00 177.10 176.04 1fwv n ASP 86 N -0.07 -0.35 -0.32 3.54 8.00 -1.26 -1.19 116.55 124.89 1fwv n ASP 86 Ca -0.07 -1.03 -0.04 0.00 0.71 0.00 0.00 54.79 54.36 1fwv n ASP 86 Cb 0.53 -2.92 -0.02 0.00 -0.02 0.00 0.00 41.12 38.69 1fwv n ASP 86 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fwv n THR 87 N -4.42 0.00 -2.26 -3.53 -2.24 -1.26 -4.85 114.28 95.71 1fwv n THR 87 Ca -0.29 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1fwv n THR 87 Cb 0.68 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1fwv n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1fwv s LEU 88 N -0.96 4.41 -0.03 3.22 2.96 -0.33 -1.00 118.68 126.95 1fwv s LEU 88 Ca 0.00 2.32 0.03 0.00 -0.22 0.00 0.00 54.13 56.26 1fwv s LEU 88 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1fwv s LEU 88 CO 0.00 -0.51 -0.12 0.12 -1.32 0.00 0.00 176.35 174.52 1fwv s PHE 89 N 0.30 1.26 0.12 5.38 5.36 -0.94 0.54 117.98 129.99 1fwv s PHE 89 Ca 0.57 -0.33 -0.08 0.00 -0.96 0.00 0.00 56.93 56.13 1fwv s PHE 89 Cb -0.35 -0.87 0.03 0.00 -0.34 0.00 0.00 43.02 41.49 1fwv s PHE 89 CO 0.36 -0.12 0.41 0.41 -1.46 0.00 0.00 175.22 174.82 1fwv n GLY 90 N 3.21 1.22 3.73 13.12 0.00 -1.08 -0.09 105.19 125.30 1fwv n GLY 90 Ca -0.18 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1fwv n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fwv s ILE 91 N -2.45 3.05 0.25 -0.61 -1.09 -0.73 -1.65 121.20 117.97 1fwv s ILE 91 Ca 0.09 0.80 -0.31 0.00 -2.23 0.00 0.00 60.65 59.00 1fwv s ILE 91 Cb -0.02 -3.51 -0.13 0.00 -1.58 0.00 0.00 42.46 37.22 1fwv s ILE 91 CO 0.04 0.09 1.47 1.17 -1.23 0.00 0.00 174.94 176.47 1fwv n LYS 92 N 3.36 2.21 -0.81 2.79 4.81 -0.49 -2.29 118.16 127.73 1fwv n LYS 92 Ca 0.10 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1fwv n LYS 92 Cb 0.41 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.98 1fwv n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fwv n GLY 93 N 2.27 1.00 3.30 3.14 0.00 -1.26 -4.97 105.19 108.66 1fwv n GLY 93 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1fwv n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwv s THR 94 N -3.37 1.18 -0.61 2.61 -4.23 -0.97 -5.05 115.64 105.20 1fwv s THR 94 Ca 0.00 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1fwv s THR 94 Cb 0.00 -2.11 0.36 0.00 1.34 0.00 0.00 72.50 72.09 1fwv s THR 94 CO 0.00 -0.53 2.08 -0.62 -0.54 0.00 0.00 174.62 175.01 1fwv n GLU 95 N -0.32 2.50 -4.89 3.99 1.02 -1.26 -4.62 120.64 117.05 1fwv n GLU 95 Ca -0.08 -2.91 -0.33 0.00 -0.02 0.00 0.00 57.16 53.83 1fwv n GLU 95 Cb 0.62 -2.14 -0.15 0.00 -0.02 0.00 0.00 31.44 29.76 1fwv n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1fwv s LEU 96 N -3.34 2.57 0.17 -4.62 1.43 -1.26 -4.64 118.68 108.99 1fwv s LEU 96 Ca 0.56 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1fwv s LEU 96 Cb 0.44 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1fwv s LEU 96 CO -0.09 0.19 -0.05 -0.31 0.23 0.00 0.00 176.35 176.32 1fwv s TYR 97 N 0.22 2.74 -0.08 0.29 1.51 0.65 -1.77 117.35 120.92 1fwv s TYR 97 Ca -0.10 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 1fwv s TYR 97 Cb -0.16 -1.34 -0.06 0.00 -0.11 0.00 0.00 41.96 40.30 1fwv s TYR 97 CO 0.06 0.51 1.74 0.12 -1.11 0.00 0.00 175.55 176.87 1fwv s PHE 98 N -1.69 1.82 0.03 2.71 5.36 0.87 -0.67 117.98 126.41 1fwv s PHE 98 Ca 0.26 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 1fwv s PHE 98 Cb -0.09 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.58 1fwv s PHE 98 CO 0.17 -4.01 -0.04 1.21 -1.46 0.00 0.00 175.22 171.09 1fwv s ASN 99 N 4.04 0.37 -0.13 6.13 3.84 0.97 -4.19 114.94 125.96 1fwv s ASN 99 Ca 0.78 -0.53 -0.16 0.00 0.21 0.00 0.00 52.86 53.16 1fwv s ASN 99 Cb -0.33 0.09 0.04 0.00 -0.55 0.00 0.00 41.25 40.50 1fwv s ASN 99 CO 0.32 -0.29 0.43 -0.47 -2.79 0.00 0.00 177.10 174.30 1fwv s TYR 100 N -1.52 -0.44 0.00 0.43 5.04 -0.97 -0.78 117.35 119.11 1fwv s TYR 100 Ca -0.14 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 1fwv s TYR 100 Cb -0.09 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1fwv s TYR 100 CO -0.01 -0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.33 1fwv n GLY 101 N 2.49 1.79 3.89 8.97 0.00 -1.26 -4.72 105.19 116.34 1fwv n GLY 101 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1fwv n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fwv s ASN 102 N -1.81 6.55 -1.58 1.61 0.01 -1.26 -4.54 114.94 113.92 1fwv s ASN 102 Ca 0.00 0.83 -0.18 0.00 -0.71 0.00 0.00 52.86 52.80 1fwv s ASN 102 Cb 0.00 -2.19 0.17 0.00 0.41 0.00 0.00 41.25 39.64 1fwv s ASN 102 CO 0.00 -0.12 0.60 0.54 -1.51 0.00 0.00 177.10 176.60 1fwv n ARG 103 N -0.47 -2.08 -1.97 -0.60 5.12 -1.26 -1.63 116.66 113.77 1fwv n ARG 103 Ca -0.00 0.25 -0.10 0.00 -1.93 0.00 0.00 57.85 56.06 1fwv n ARG 103 Cb 0.53 -4.89 -0.02 0.00 -1.16 0.00 0.00 32.46 26.92 1fwv n ARG 103 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1fwv n GLN 104 N -3.98 -1.88 -2.90 5.56 3.00 -1.26 -4.88 117.38 111.03 1fwv n GLN 104 Ca 0.08 0.55 -0.42 0.00 -0.01 0.00 0.00 57.00 57.20 1fwv n GLN 104 Cb 0.48 -4.97 -0.04 0.00 0.00 0.00 0.00 30.24 25.70 1fwv n GLN 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1fwv s GLU 105 N -4.14 3.97 0.20 -1.09 2.56 -0.65 -4.95 118.70 114.60 1fwv s GLU 105 Ca 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 54.97 55.60 1fwv s GLU 105 Cb 0.00 -3.73 0.13 0.00 2.00 0.00 0.00 34.13 32.53 1fwv s GLU 105 CO 0.00 -0.71 1.50 0.87 -0.56 0.00 0.00 175.26 176.36 1fwv h LYS 106 N 8.12 0.46 -7.04 4.30 1.57 -1.90 -3.41 116.57 118.67 1fwv h LYS 106 Ca -0.24 -0.31 -0.45 0.00 -1.87 0.00 0.00 60.65 57.78 1fwv h LYS 106 Cb 1.09 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1fwv h LYS 106 CO 0.90 0.92 0.35 1.21 -0.57 0.00 0.00 179.45 182.27 1fwv s ASN 107 N -6.93 6.85 0.33 0.86 2.47 -1.26 -4.09 114.94 113.16 1fwv s ASN 107 Ca -0.06 1.77 -0.29 0.00 0.42 0.00 0.00 52.86 54.70 1fwv s ASN 107 Cb 0.11 -2.55 -0.11 0.00 -1.45 0.00 0.00 41.25 37.26 1fwv s ASN 107 CO 0.83 -0.42 1.44 -0.63 -3.72 0.00 0.00 177.10 174.59 1fwv s ILE 108 N -2.07 2.38 0.17 -5.21 -1.09 -0.17 -4.92 121.20 110.29 1fwv s ILE 108 Ca 0.62 0.36 0.06 0.00 -2.23 0.00 0.00 60.65 59.46 1fwv s ILE 108 Cb -0.12 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1fwv s ILE 108 CO 0.16 0.08 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.27 1fwv s LYS 109 N -1.43 1.18 0.04 2.79 -0.14 0.04 -1.35 119.74 120.86 1fwv s LYS 109 Ca 0.54 -1.46 -0.22 0.00 -1.36 0.00 0.00 55.97 53.47 1fwv s LYS 109 Cb -0.44 -0.93 -0.06 0.00 -1.68 0.00 0.00 37.83 34.73 1fwv s LYS 109 CO 0.54 0.15 0.67 -0.51 -0.76 0.00 0.00 175.35 175.44 1fwv s LEU 110 N -3.05 4.46 0.01 3.17 1.43 -0.52 -0.02 118.68 124.17 1fwv s LEU 110 Ca 0.17 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 1fwv s LEU 110 Cb -0.01 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1fwv s LEU 110 CO 0.04 0.10 0.00 -0.47 0.23 0.00 0.00 176.35 176.26 1fwv s TYR 111 N -0.34 0.20 -0.34 0.29 5.04 0.15 0.00 117.35 122.34 1fwv s TYR 111 Ca 0.34 -0.42 0.21 0.00 -2.44 0.00 0.00 57.07 54.76 1fwv s TYR 111 Cb -0.20 -0.15 0.24 0.00 0.35 0.00 0.00 41.96 42.20 1fwv s TYR 111 CO 0.20 -0.20 1.52 1.57 -1.34 0.00 0.00 175.55 177.31 1fwv h LYS 112 N 4.68 0.00 -6.77 4.97 2.10 -1.88 0.19 116.57 119.86 1fwv h LYS 112 Ca -0.31 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.82 1fwv h LYS 112 Cb 1.21 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.58 1fwv h LYS 112 CO 0.41 0.15 0.63 0.20 -2.00 0.00 0.00 179.45 178.84 1fwv s GLY 113 N -4.30 2.73 -0.32 0.07 0.00 -1.26 -4.88 107.32 99.36 1fwv s GLY 113 Ca 0.06 1.14 0.08 0.00 0.00 0.00 0.00 44.72 45.99 1fwv s GLY 113 CO 0.70 1.94 1.50 -1.14 0.00 0.00 0.00 173.10 176.10 1fwv n SER 114 N 1.78 2.98 -2.93 1.64 3.41 -1.26 -4.71 113.62 114.53 1fwv n SER 114 Ca 0.03 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1fwv n SER 114 Cb 0.43 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1fwv n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fwv n GLY 115 N -1.09 -0.68 0.25 5.00 0.00 -1.26 -4.83 105.19 102.57 1fwv n GLY 115 Ca 0.37 -1.64 0.17 0.00 0.00 0.00 0.00 46.02 44.92 1fwv n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fwv h LEU 116 N 0.00 0.00 -0.47 0.99 3.38 -1.95 -2.31 115.31 114.95 1fwv h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fwv h LEU 116 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fwv h LEU 116 CO 0.00 0.00 -0.14 0.79 0.09 0.00 0.00 178.44 179.18 1fwv n TRP 117 N -2.67 0.00 -0.23 1.13 8.01 -1.26 -3.42 117.44 118.99 1fwv n TRP 117 Ca -0.02 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.22 1fwv n TRP 117 Cb 0.09 -0.11 0.12 0.00 -2.01 0.00 0.00 31.31 29.39 1fwv n TRP 117 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1fwv n SER 118 N -0.62 2.75 -4.46 -0.99 7.64 -0.87 -2.29 113.62 114.78 1fwv n SER 118 Ca 0.15 -2.13 -0.33 0.00 1.01 0.00 0.00 58.87 57.57 1fwv n SER 118 Cb 0.31 -0.21 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 1fwv n SER 118 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1fwv s ARG 119 N -1.23 3.29 0.02 1.43 0.52 -1.22 -2.20 118.95 119.56 1fwv s ARG 119 Ca 0.19 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1fwv s ARG 119 Cb 0.11 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 1fwv s ARG 119 CO 0.11 0.34 -0.03 -1.58 0.02 0.00 0.00 175.30 174.16 1fwv s TRP 120 N 0.04 0.25 0.27 -0.53 0.52 -0.17 -4.54 118.94 114.78 1fwv s TRP 120 Ca -0.02 -0.46 0.07 0.00 0.02 0.00 0.00 56.10 55.71 1fwv s TRP 120 Cb -0.14 -0.18 -0.06 0.00 -1.15 0.00 0.00 33.47 31.94 1fwv s TRP 120 CO 0.04 -0.16 -0.08 0.15 0.02 0.00 0.00 176.95 176.92 1fwv s LYS 121 N -1.27 1.54 -0.02 4.98 1.02 -0.00 -4.06 119.74 121.92 1fwv s LYS 121 Ca -0.14 -1.77 -0.30 0.00 0.02 0.00 0.00 55.97 53.79 1fwv s LYS 121 Cb -0.09 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 1fwv s LYS 121 CO -0.01 0.08 1.18 0.08 -0.92 0.00 0.00 175.35 175.75 1fwv s VAL 122 N -2.96 4.27 0.27 3.17 1.01 -0.86 -0.72 120.40 124.57 1fwv s VAL 122 Ca 0.29 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.57 1fwv s VAL 122 Cb 0.03 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 1fwv s VAL 122 CO 0.12 0.04 1.37 0.00 0.00 0.00 0.00 175.10 176.63 1fwv n TYR 123 N 4.78 2.19 -0.55 5.22 9.36 0.60 -1.74 117.16 137.02 1fwv n TYR 123 Ca 0.10 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.79 1fwv n TYR 123 Cb 0.47 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 1fwv n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fwv n GLY 124 N 1.76 0.76 2.97 2.98 0.00 -1.26 -4.78 105.19 107.62 1fwv n GLY 124 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1fwv n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fwv n THR 125 N -2.16 0.00 -1.62 2.61 -2.24 -0.71 -5.05 114.28 105.11 1fwv n THR 125 Ca 0.00 -1.82 0.06 0.00 -2.27 0.00 0.00 64.05 60.03 1fwv n THR 125 Cb 0.00 1.02 0.18 0.00 -2.10 0.00 0.00 70.33 69.44 1fwv n THR 125 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1fwv n THR 126 N -0.54 1.94 -4.04 4.28 -2.24 -1.26 -4.63 114.28 107.80 1fwv n THR 126 Ca 0.03 -2.87 -0.23 0.00 -2.27 0.00 0.00 64.05 58.70 1fwv n THR 126 Cb 0.53 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1fwv n THR 126 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fwv s ASP 127 N -3.05 5.88 1.06 3.42 1.01 -1.26 -5.01 116.67 118.72 1fwv s ASP 127 Ca 0.36 -0.06 -0.16 0.00 0.71 0.00 0.00 52.55 53.40 1fwv s ASP 127 Cb 0.35 -1.62 0.22 0.00 1.01 0.00 0.00 42.92 42.88 1fwv s ASP 127 CO -0.06 -0.01 1.15 1.51 0.21 0.00 0.00 175.17 177.96 1fwv s ASP 128 N -3.62 2.20 0.35 0.27 1.47 -1.26 -2.03 116.67 114.06 1fwv s ASP 128 Ca 0.33 0.75 0.04 0.00 1.18 0.00 0.00 52.55 54.85 1fwv s ASP 128 Cb -0.09 -1.12 0.65 0.00 -0.34 0.00 0.00 42.92 42.02 1fwv s ASP 128 CO 0.26 -3.34 1.94 -0.07 0.68 0.00 0.00 175.17 174.64 1fwv h LEU 129 N -2.05 0.55 0.00 2.11 3.38 -1.89 -2.50 115.31 114.91 1fwv h LEU 129 Ca -0.48 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1fwv h LEU 129 Cb 1.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1fwv h LEU 129 CO 0.46 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.51 1fwv h SER 131 N 0.00 0.00 -0.24 0.00 4.64 -1.80 -2.67 113.55 113.48 1fwv h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fwv h SER 131 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1fwv h SER 131 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1fwv n ARG 132 N -2.52 1.97 0.00 4.77 5.12 -0.67 -4.99 116.66 120.34 1fwv n ARG 132 Ca 0.03 -1.77 0.00 0.00 -1.93 0.00 0.00 57.85 54.18 1fwv n ARG 132 Cb 0.32 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1fwv n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fwv n GLY 133 N 0.70 3.74 3.73 -0.13 0.00 -1.01 -4.62 105.19 107.60 1fwv n GLY 133 Ca 0.11 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 1fwv n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwv s TYR 134 N 2.63 2.68 0.00 1.61 1.51 -1.26 -5.06 117.35 119.46 1fwv s TYR 134 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1fwv s TYR 134 Cb 0.00 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1fwv s TYR 134 CO 0.00 0.30 0.00 0.39 -1.11 0.00 0.00 175.55 175.13