#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwu n ALA 3 N 0.00 0.59 0.05 -1.67 0.00 -1.26 2.10 120.51 120.31 1fwu n ALA 3 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1fwu n ALA 3 Cb 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 1fwu n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fwu n ARG 4 N 0.33 0.63 -2.09 0.00 0.63 -1.26 -4.75 116.66 110.15 1fwu n ARG 4 Ca 0.00 -0.16 -0.33 0.00 -0.92 0.00 0.00 57.85 56.44 1fwu n ARG 4 Cb 0.00 -1.55 0.01 0.00 0.45 0.00 0.00 32.46 31.37 1fwu n ARG 4 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1fwu s GLN 5 N -3.48 3.39 0.20 -0.14 -0.21 34.47 -4.62 119.66 149.26 1fwu s GLN 5 Ca -0.07 1.18 -0.23 0.00 0.02 0.00 0.00 55.36 56.26 1fwu s GLN 5 Cb 0.14 -2.04 0.05 0.00 1.00 0.00 0.00 33.01 32.15 1fwu s GLN 5 CO 0.90 -0.75 0.73 -0.59 -2.12 0.00 0.00 175.29 173.45 1fwu s PHE 6 N -2.47 -0.31 -0.02 0.91 -0.12 0.13 -4.88 117.98 111.22 1fwu s PHE 6 Ca 0.63 -0.01 -0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1fwu s PHE 6 Cb -0.15 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1fwu s PHE 6 CO 0.36 -0.99 0.03 -0.51 -0.05 0.00 0.00 175.22 174.07 1fwu s LEU 7 N -2.83 3.69 -0.39 -1.99 1.02 -1.26 -0.86 118.68 116.07 1fwu s LEU 7 Ca 0.07 0.09 -0.17 0.00 0.02 0.00 0.00 54.13 54.15 1fwu s LEU 7 Cb -0.03 -2.06 0.01 0.00 0.02 0.00 0.00 46.19 44.12 1fwu s LEU 7 CO -0.02 0.30 0.44 -0.63 0.02 0.00 0.00 176.35 176.46 1fwu s ILE 8 N -1.08 5.09 -0.07 -0.59 1.01 -1.26 -1.29 121.20 123.00 1fwu s ILE 8 Ca 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1fwu s ILE 8 Cb -0.12 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1fwu s ILE 8 CO 0.10 -0.30 -0.09 -0.47 0.00 0.00 0.00 174.94 174.17 1fwu s TYR 9 N 2.18 2.86 -0.29 3.97 5.04 -0.23 -1.30 117.35 129.58 1fwu s TYR 9 Ca 0.14 -0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.64 1fwu s TYR 9 Cb -0.16 -1.71 0.03 0.00 0.35 0.00 0.00 41.96 40.46 1fwu s TYR 9 CO 0.13 0.24 0.02 1.21 -1.34 0.00 0.00 175.55 175.82 1fwu s ASN 10 N -0.66 4.83 0.16 4.32 3.84 -0.54 -0.99 114.94 125.91 1fwu s ASN 10 Ca 0.10 -0.91 -0.15 0.00 0.21 0.00 0.00 52.86 52.11 1fwu s ASN 10 Cb -0.11 -1.78 0.08 0.00 -0.55 0.00 0.00 41.25 38.89 1fwu s ASN 10 CO 0.01 -0.20 1.77 -0.08 -2.79 0.00 0.00 177.10 175.82 1fwu h GLU 11 N 8.12 0.37 -0.55 0.43 4.81 -1.87 0.12 114.58 126.01 1fwu h GLU 11 Ca -0.29 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1fwu h GLU 11 Cb 1.10 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 1fwu h GLU 11 CO 0.58 0.25 0.32 0.22 -0.73 0.00 0.00 179.01 179.65 1fwu h ASP 12 N 0.39 0.50 1.11 1.04 3.58 -1.92 -2.67 116.42 118.44 1fwu h ASP 12 Ca 0.18 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1fwu h ASP 12 Cb 0.12 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1fwu h ASP 12 CO -0.15 0.34 -0.63 0.45 -2.88 0.00 0.00 179.24 176.38 1fwu h HIS 13 N 0.62 0.00 -5.86 0.28 3.86 -1.91 -3.48 115.15 108.67 1fwu h HIS 13 Ca 0.23 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.06 1fwu h HIS 13 Cb 0.07 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.66 1fwu h HIS 13 CO -0.07 0.00 -0.77 1.63 0.86 0.00 0.00 177.93 179.58 1fwu n LYS 14 N -2.45 -6.33 -4.16 2.45 5.02 0.41 -5.00 118.16 108.11 1fwu n LYS 14 Ca 0.02 0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 56.98 1fwu n LYS 14 Cb 0.49 -5.66 -0.10 0.00 -0.02 0.00 0.00 35.03 29.74 1fwu n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1fwu s ARG 15 N -5.80 0.79 0.19 1.97 0.52 -1.15 -4.62 118.95 110.86 1fwu s ARG 15 Ca 0.16 -1.31 0.11 0.00 -0.52 0.00 0.00 55.73 54.17 1fwu s ARG 15 Cb -0.07 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 1fwu s ARG 15 CO 0.76 -0.03 -0.21 0.00 0.02 0.00 0.00 175.30 175.84 1fwu s VAL 17 N -1.64 2.64 -0.13 0.00 1.01 -0.42 -0.67 120.40 121.19 1fwu s VAL 17 Ca 0.21 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 1fwu s VAL 17 Cb -0.08 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1fwu s VAL 17 CO 0.11 0.13 0.02 -0.62 0.00 0.00 0.00 175.10 174.74 1fwu s ASP 18 N -0.19 2.18 -0.20 3.32 2.15 0.96 -4.47 116.67 120.43 1fwu s ASP 18 Ca 0.52 -0.42 -0.28 0.00 0.43 0.00 0.00 52.55 52.81 1fwu s ASP 18 Cb -0.41 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 41.71 1fwu s ASP 18 CO 0.51 -0.25 0.97 0.00 -0.17 0.00 0.00 175.17 176.23 1fwu s ALA 19 N 1.93 3.61 -0.18 3.66 0.00 -0.52 -0.39 121.76 129.88 1fwu s ALA 19 Ca 0.02 0.14 0.13 0.00 0.00 0.00 0.00 51.96 52.25 1fwu s ALA 19 Cb -0.14 -3.44 -0.20 0.00 0.00 0.00 0.00 23.12 19.33 1fwu s ALA 19 CO -0.07 -0.90 0.01 1.28 0.00 0.00 0.00 175.76 176.08 1fwu n LEU 20 N 5.91 0.60 -3.80 0.00 4.77 0.52 -4.78 117.00 120.22 1fwu n LEU 20 Ca 0.09 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1fwu n LEU 20 Cb 0.47 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1fwu n LEU 20 CO 0.51 0.51 0.85 -0.94 -1.33 0.00 0.00 177.39 176.99 1fwu s SER 21 N -5.32 -0.07 0.54 -1.43 1.04 -0.61 -4.93 113.70 102.92 1fwu s SER 21 Ca -0.13 -0.45 0.22 0.00 0.48 0.00 0.00 55.95 56.08 1fwu s SER 21 Cb 0.06 0.41 1.39 0.00 0.10 0.00 0.00 66.02 67.98 1fwu s SER 21 CO 0.66 -0.78 2.07 0.00 0.98 0.00 0.00 173.24 176.18 1fwu h ALA 22 N 2.00 2.21 -0.41 5.32 0.00 -1.98 -1.52 119.26 124.88 1fwu h ALA 22 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1fwu h ALA 22 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1fwu h ALA 22 CO 0.31 -0.36 0.00 0.44 0.00 0.00 0.00 179.25 179.64 1fwu n ILE 23 N -4.34 1.62 -3.51 0.00 -5.35 -1.26 -1.22 119.36 105.29 1fwu n ILE 23 Ca 0.04 -1.33 -0.13 0.00 -0.27 0.00 0.00 62.75 61.06 1fwu n ILE 23 Cb 0.37 0.17 -0.11 0.00 -1.74 0.00 0.00 39.64 38.33 1fwu n ILE 23 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1fwu s SER 24 N -1.27 0.61 -0.19 7.28 0.15 -0.57 -4.96 113.70 114.75 1fwu s SER 24 Ca 0.37 0.24 -0.01 0.00 0.70 0.00 0.00 55.95 57.25 1fwu s SER 24 Cb 0.25 0.77 0.05 0.00 -1.71 0.00 0.00 66.02 65.38 1fwu s SER 24 CO 0.16 -0.29 -0.02 -0.69 1.20 0.00 0.00 173.24 173.61 1fwu s VAL 25 N 2.44 0.98 0.00 4.45 1.01 -1.26 -0.36 120.40 127.66 1fwu s VAL 25 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1fwu s VAL 25 Cb -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1fwu s VAL 25 CO -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 175.10 174.91 1fwu n GLN 26 N 4.89 3.53 -4.20 2.72 6.02 0.48 -1.34 117.38 129.48 1fwu n GLN 26 Ca -0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.77 1fwu n GLN 26 Cb 0.46 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.62 1fwu n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1fwu s THR 27 N 3.00 0.43 0.25 5.09 -4.23 -1.26 -0.03 115.64 118.90 1fwu s THR 27 Ca 0.00 -1.95 -0.22 0.00 -1.18 0.00 0.00 61.69 58.35 1fwu s THR 27 Cb 0.00 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.79 1fwu s THR 27 CO 0.00 -0.48 0.72 0.00 -0.54 0.00 0.00 174.62 174.33 1fwu s ALA 28 N -3.82 -1.30 0.26 3.99 0.00 0.15 -4.74 121.76 116.31 1fwu s ALA 28 Ca 0.24 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 1fwu s ALA 28 Cb 0.07 0.84 -0.11 0.00 0.00 0.00 0.00 23.12 23.91 1fwu s ALA 28 CO 0.03 -1.01 1.63 0.99 0.00 0.00 0.00 175.76 177.41 1fwu s THR 29 N -3.85 2.07 0.20 0.00 2.01 -1.26 -1.08 115.64 113.73 1fwu s THR 29 Ca 0.10 0.05 -0.32 0.00 0.31 0.00 0.00 61.69 61.83 1fwu s THR 29 Cb -0.05 -3.03 -0.11 0.00 0.01 0.00 0.00 72.50 69.31 1fwu s THR 29 CO 0.04 0.01 1.65 0.00 -0.69 0.00 0.00 174.62 175.63 1fwu s ASN 31 N 1.12 1.94 0.00 0.00 3.84 -1.26 -5.02 114.94 115.55 1fwu s ASN 31 Ca 0.72 -0.57 0.10 0.00 0.21 0.00 0.00 52.86 53.32 1fwu s ASN 31 Cb -0.47 0.19 0.47 0.00 -0.55 0.00 0.00 41.25 40.89 1fwu s ASN 31 CO 0.33 -0.36 1.21 -0.81 -2.79 0.00 0.00 177.10 174.67 1fwu n PRO 32 N 5.30 0.11 0.00 0.43 -0.04 -1.26 -1.67 135.00 137.87 1fwu n PRO 32 Ca -0.05 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1fwu n PRO 32 Cb 0.48 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1fwu n PRO 32 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1fwu n GLU 33 N -1.32 0.43 -2.84 0.54 1.02 -1.26 -4.86 120.64 112.34 1fwu n GLU 33 Ca 0.04 -0.33 -0.43 0.00 -0.02 0.00 0.00 57.16 56.42 1fwu n GLU 33 Cb 0.08 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1fwu n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fwu s ALA 34 N -2.80 3.29 0.34 0.62 0.00 -0.67 -4.92 121.76 117.62 1fwu s ALA 34 Ca 0.13 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.44 1fwu s ALA 34 Cb 0.17 -3.58 0.79 0.00 0.00 0.00 0.00 23.12 20.49 1fwu s ALA 34 CO 0.73 -1.91 1.84 0.93 0.00 0.00 0.00 175.76 177.34 1fwu h GLU 35 N 8.91 0.71 0.00 0.00 4.39 -1.89 -0.54 114.58 126.15 1fwu h GLU 35 Ca -0.24 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1fwu h GLU 35 Cb 1.08 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1fwu h GLU 35 CO 1.00 0.47 0.00 0.66 -1.16 0.00 0.00 179.01 179.98 1fwu h SER 36 N 0.73 0.00 0.01 1.42 4.64 -1.91 -1.74 113.55 116.70 1fwu h SER 36 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1fwu h SER 36 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1fwu h SER 36 CO -0.25 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.46 1fwu n GLN 37 N -2.82 1.59 -3.25 4.77 6.02 -0.22 -1.43 117.38 122.05 1fwu n GLN 37 Ca -0.02 -1.26 -0.39 0.00 -0.01 0.00 0.00 57.00 55.33 1fwu n GLN 37 Cb 0.12 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 1fwu n GLN 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1fwu s LYS 38 N -2.28 4.30 0.21 -1.09 1.02 -0.65 -4.35 119.74 116.90 1fwu s LYS 38 Ca 0.24 0.64 0.02 0.00 0.02 0.00 0.00 55.97 56.88 1fwu s LYS 38 Cb 0.19 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 1fwu s LYS 38 CO 0.45 0.30 0.04 -0.06 -0.92 0.00 0.00 175.35 175.16 1fwu s PHE 39 N 0.09 1.35 -0.22 3.18 0.40 -0.04 -1.13 117.98 121.62 1fwu s PHE 39 Ca 0.30 -1.08 -0.25 0.00 -0.60 0.00 0.00 56.93 55.29 1fwu s PHE 39 Cb -0.17 -0.78 0.07 0.00 0.51 0.00 0.00 43.02 42.65 1fwu s PHE 39 CO 0.15 -0.26 0.69 -0.98 0.70 0.00 0.00 175.22 175.52 1fwu s ARG 40 N -3.96 0.85 0.27 0.44 1.70 -0.45 -0.69 118.95 117.11 1fwu s ARG 40 Ca 0.30 0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 56.08 1fwu s ARG 40 Cb 0.07 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.77 1fwu s ARG 40 CO 0.08 -0.14 1.17 -1.58 -1.08 0.00 0.00 175.30 173.75 1fwu s TRP 41 N 0.06 3.43 -0.01 5.89 0.52 -1.26 -0.19 118.94 127.38 1fwu s TRP 41 Ca -0.02 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.68 1fwu s TRP 41 Cb -0.04 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 1fwu s TRP 41 CO 0.03 -0.97 0.79 1.33 0.02 0.00 0.00 176.95 178.14 1fwu n VAL 42 N 1.34 0.57 -3.84 4.03 0.24 -0.28 -4.88 118.33 115.51 1fwu n VAL 42 Ca 0.00 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1fwu n VAL 42 Cb 0.44 0.71 0.01 0.00 -1.47 0.00 0.00 33.84 33.54 1fwu n VAL 42 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1fwu n SER 43 N -0.28 -0.94 0.10 -1.34 3.41 -1.24 -4.94 113.62 108.39 1fwu n SER 43 Ca 0.00 -1.36 0.10 0.00 -0.26 0.00 0.00 58.87 57.35 1fwu n SER 43 Cb 0.15 1.49 0.43 0.00 -0.26 0.00 0.00 64.21 66.02 1fwu n SER 43 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fwu n ASP 44 N -0.89 0.46 0.00 4.04 10.43 -1.26 -3.83 116.55 125.50 1fwu n ASP 44 Ca 0.01 0.63 0.00 0.00 2.57 0.00 0.00 54.79 58.00 1fwu n ASP 44 Cb 0.37 -0.72 0.00 0.00 1.84 0.00 0.00 41.12 42.61 1fwu n ASP 44 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1fwu n SER 45 N -2.02 0.09 -4.49 -2.24 3.41 -1.26 -4.76 113.62 102.34 1fwu n SER 45 Ca 0.02 -0.66 -0.33 0.00 -0.26 0.00 0.00 58.87 57.64 1fwu n SER 45 Cb 0.18 0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 1fwu n SER 45 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fwu s GLN 46 N -0.05 2.50 -0.16 4.33 -0.21 -1.25 0.40 119.66 125.22 1fwu s GLN 46 Ca 0.00 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.69 1fwu s GLN 46 Cb 0.00 -2.39 0.01 0.00 1.00 0.00 0.00 33.01 31.63 1fwu s GLN 46 CO 0.00 0.62 -0.17 0.42 -2.12 0.00 0.00 175.29 174.04 1fwu s ILE 47 N -0.76 2.42 -0.08 1.08 1.01 -1.26 -1.13 121.20 122.49 1fwu s ILE 47 Ca 0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 1fwu s ILE 47 Cb -0.11 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1fwu s ILE 47 CO 0.01 0.52 0.06 -0.32 0.00 0.00 0.00 174.94 175.21 1fwu s MET 48 N 1.01 3.14 -0.01 2.79 -2.45 0.74 -1.05 119.30 123.47 1fwu s MET 48 Ca -0.02 -0.34 -0.30 0.00 -1.25 0.00 0.00 55.69 53.78 1fwu s MET 48 Cb -0.15 -2.93 -0.04 0.00 1.25 0.00 0.00 34.83 32.97 1fwu s MET 48 CO -0.04 0.72 1.10 0.45 1.05 0.00 0.00 175.02 178.29 1fwu s SER 49 N -1.10 7.20 0.15 1.11 0.15 0.35 -1.35 113.70 120.22 1fwu s SER 49 Ca 0.16 1.79 -0.12 0.00 0.70 0.00 0.00 55.95 58.48 1fwu s SER 49 Cb -0.12 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1fwu s SER 49 CO 0.05 -0.42 1.59 0.58 1.20 0.00 0.00 173.24 176.25 1fwu h VAL 50 N 4.79 1.27 -0.54 4.45 2.07 -1.38 0.83 116.25 127.73 1fwu h VAL 50 Ca -0.38 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 1fwu h VAL 50 Cb 1.20 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1fwu h VAL 50 CO 0.81 0.40 0.09 0.00 0.02 0.00 0.00 177.57 178.89 1fwu h ALA 51 N 0.92 1.14 0.00 1.67 0.00 -1.75 -3.30 119.26 117.94 1fwu h ALA 51 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fwu h ALA 51 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1fwu h ALA 51 CO 0.03 0.57 -0.83 1.19 0.00 0.00 0.00 179.25 180.21 1fwu n PHE 52 N -4.25 0.00 -3.72 0.00 3.01 -1.21 -4.99 117.46 106.30 1fwu n PHE 52 Ca 0.04 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.24 1fwu n PHE 52 Cb 0.26 -0.05 0.06 0.00 -0.01 0.00 0.00 39.48 39.73 1fwu n PHE 52 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1fwu n LYS 53 N -1.44 -6.66 -4.14 -1.08 4.76 0.28 -4.99 118.16 104.88 1fwu n LYS 53 Ca 0.02 0.72 -0.16 0.00 -2.87 0.00 0.00 58.31 56.02 1fwu n LYS 53 Cb 0.25 -5.67 -0.11 0.00 -1.84 0.00 0.00 35.03 27.65 1fwu n LYS 53 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fwu s LEU 54 N -7.18 2.31 0.04 -0.35 1.43 -1.24 -4.73 118.68 108.96 1fwu s LEU 54 Ca 0.52 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1fwu s LEU 54 Cb -0.25 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 1fwu s LEU 54 CO 0.78 -0.17 0.34 0.00 0.23 0.00 0.00 176.35 177.52 1fwu s LEU 56 N -1.78 4.37 0.00 0.00 1.43 -0.21 -0.35 118.68 122.14 1fwu s LEU 56 Ca 0.30 2.48 -0.15 0.00 -1.03 0.00 0.00 54.13 55.73 1fwu s LEU 56 Cb -0.14 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.55 1fwu s LEU 56 CO 0.17 -0.74 0.78 0.61 0.23 0.00 0.00 176.35 177.40 1fwu n GLY 57 N 3.63 0.99 3.19 -3.19 0.00 -0.26 -4.52 105.19 105.03 1fwu n GLY 57 Ca 0.13 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1fwu n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fwu s VAL 58 N -2.12 0.88 0.11 1.61 -7.23 -0.16 -1.24 120.40 112.25 1fwu s VAL 58 Ca 0.16 -1.88 0.21 0.00 -1.81 0.00 0.00 61.98 58.65 1fwu s VAL 58 Cb -0.05 -1.62 0.17 0.00 0.56 0.00 0.00 36.38 35.44 1fwu s VAL 58 CO 0.11 -0.75 1.74 1.55 -0.31 0.00 0.00 175.10 177.44 1fwu h PRO 59 N 3.09 0.00 -2.09 4.82 0.13 -1.88 -3.45 132.00 132.61 1fwu h PRO 59 Ca -0.36 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.88 1fwu h PRO 59 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1fwu h PRO 59 CO 0.61 0.32 0.53 -1.54 -0.23 0.00 0.00 178.00 177.69 1fwu s SER 60 N -6.34 -0.35 -1.35 1.44 1.04 -1.26 -5.06 113.70 101.83 1fwu s SER 60 Ca 0.01 0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.38 1fwu s SER 60 Cb 0.10 0.35 0.10 0.00 0.10 0.00 0.00 66.02 66.67 1fwu s SER 60 CO 0.67 -0.54 1.94 0.29 0.98 0.00 0.00 173.24 176.58 1fwu n LYS 61 N -0.06 3.20 -4.19 4.02 5.02 -1.26 -4.83 118.16 120.05 1fwu n LYS 61 Ca -0.08 -3.14 -0.19 0.00 -2.02 0.00 0.00 58.31 52.88 1fwu n LYS 61 Cb 0.61 -3.20 -0.12 0.00 -0.02 0.00 0.00 35.03 32.30 1fwu n LYS 61 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fwu s THR 62 N 2.39 1.15 0.25 -0.18 2.01 -1.26 -5.09 115.64 114.92 1fwu s THR 62 Ca 0.46 -1.30 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 1fwu s THR 62 Cb 0.09 -1.10 -0.11 0.00 0.01 0.00 0.00 72.50 71.39 1fwu s THR 62 CO -0.02 -0.20 1.60 -0.62 -0.69 0.00 0.00 174.62 174.69 1fwu s ASP 63 N -1.71 6.43 -0.75 3.53 2.15 -1.26 -2.03 116.67 123.02 1fwu s ASP 63 Ca -0.01 2.86 0.00 0.00 0.43 0.00 0.00 52.55 55.83 1fwu s ASP 63 Cb -0.10 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1fwu s ASP 63 CO 0.02 -0.89 0.00 1.87 -0.17 0.00 0.00 175.17 176.00 1fwu n TRP 64 N 2.80 0.00 -2.53 -5.34 -0.00 0.64 -5.00 117.44 108.01 1fwu n TRP 64 Ca 0.10 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.20 1fwu n TRP 64 Cb 0.37 -1.55 -0.05 0.00 -0.00 0.00 0.00 31.31 30.09 1fwu n TRP 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1fwu s ALA 65 N -2.21 3.39 0.25 5.87 0.00 -0.86 -4.74 121.76 123.45 1fwu s ALA 65 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 1fwu s ALA 65 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1fwu s ALA 65 CO 0.00 -0.09 1.02 -1.12 0.00 0.00 0.00 175.76 175.57 1fwu s SER 66 N -0.95 7.45 -0.38 0.00 0.01 -1.26 -1.23 113.70 117.35 1fwu s SER 66 Ca 0.44 2.10 -0.16 0.00 1.31 0.00 0.00 55.95 59.65 1fwu s SER 66 Cb -0.31 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.31 1fwu s SER 66 CO 0.39 -0.00 0.37 -0.69 0.41 0.00 0.00 173.24 173.71 1fwu s VAL 67 N -1.10 5.17 0.00 3.43 1.01 -0.58 -4.36 120.40 123.96 1fwu s VAL 67 Ca 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1fwu s VAL 67 Cb -0.29 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1fwu s VAL 67 CO 0.36 -0.22 0.00 0.35 0.00 0.00 0.00 175.10 175.60 1fwu n THR 68 N 5.28 0.00 -5.09 3.92 -2.24 -0.38 -4.38 114.28 111.40 1fwu n THR 68 Ca -0.09 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 1fwu n THR 68 Cb 0.48 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.56 1fwu n THR 68 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1fwu s LEU 69 N 0.00 2.34 0.11 3.22 1.43 -0.36 -1.10 118.68 124.32 1fwu s LEU 69 Ca 0.00 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1fwu s LEU 69 Cb 0.00 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1fwu s LEU 69 CO 0.00 0.25 -0.11 -0.31 0.23 0.00 0.00 176.35 176.41 1fwu s TYR 70 N -0.19 1.19 0.19 0.29 1.51 0.53 -4.72 117.35 116.14 1fwu s TYR 70 Ca -0.02 -0.64 -0.33 0.00 -1.01 0.00 0.00 57.07 55.07 1fwu s TYR 70 Cb -0.13 -0.63 -0.13 0.00 -0.11 0.00 0.00 41.96 40.95 1fwu s TYR 70 CO 0.03 0.05 1.56 0.00 -1.11 0.00 0.00 175.55 176.09 1fwu n ALA 71 N 0.43 1.55 -1.81 3.71 0.00 -1.26 0.34 120.51 123.46 1fwu n ALA 71 Ca -0.15 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 1fwu n ALA 71 Cb 0.58 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 1fwu n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwu s ASP 73 N 2.08 2.26 0.32 0.00 3.68 -1.26 -5.01 116.67 118.73 1fwu s ASP 73 Ca 0.76 -0.55 0.23 0.00 2.13 0.00 0.00 52.55 55.12 1fwu s ASP 73 Cb -0.45 -0.26 1.16 0.00 -1.45 0.00 0.00 42.92 41.93 1fwu s ASP 73 CO 0.34 -0.34 1.71 0.77 0.13 0.00 0.00 175.17 177.78 1fwu h SER 74 N 8.41 0.00 0.42 -0.34 4.64 -2.00 -2.23 113.55 122.44 1fwu h SER 74 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1fwu h SER 74 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1fwu h SER 74 CO 0.28 0.00 -0.83 0.29 -0.87 0.00 0.00 176.83 175.70 1fwu n LYS 75 N -2.30 0.15 -2.97 4.77 4.01 -1.26 -4.89 118.16 115.67 1fwu n LYS 75 Ca -0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 1fwu n LYS 75 Cb 0.10 -1.56 -0.05 0.00 -0.51 0.00 0.00 35.03 33.02 1fwu n LYS 75 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1fwu s SER 76 N -3.51 6.89 0.00 4.39 0.15 -0.84 -4.93 113.70 115.85 1fwu s SER 76 Ca 0.07 1.08 0.30 0.00 0.70 0.00 0.00 55.95 58.10 1fwu s SER 76 Cb 0.16 -2.42 1.43 0.00 -1.71 0.00 0.00 66.02 63.47 1fwu s SER 76 CO 0.77 -0.33 2.01 -0.62 1.20 0.00 0.00 173.24 176.27 1fwu n GLU 77 N 5.02 0.36 -0.03 5.44 1.02 -1.26 -3.38 120.64 127.81 1fwu n GLU 77 Ca 0.02 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1fwu n GLU 77 Cb 0.49 -1.50 0.54 0.00 -0.02 0.00 0.00 31.44 30.95 1fwu n GLU 77 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1fwu n TYR 78 N -1.31 0.07 -1.99 -0.32 4.02 -1.26 -3.48 117.16 112.90 1fwu n TYR 78 Ca 0.13 -0.04 0.03 0.00 -0.01 0.00 0.00 57.90 58.01 1fwu n TYR 78 Cb 0.27 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.64 1fwu n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fwu n GLN 79 N -0.29 0.37 -4.03 -0.72 10.64 -1.22 -0.99 117.38 121.15 1fwu n GLN 79 Ca 0.17 -1.84 -0.34 0.00 -1.83 0.00 0.00 57.00 53.15 1fwu n GLN 79 Cb 0.20 -0.60 -0.10 0.00 -0.86 0.00 0.00 30.24 28.88 1fwu n GLN 79 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1fwu s LYS 80 N -0.79 3.94 0.27 2.61 1.02 -1.23 -4.34 119.74 121.23 1fwu s LYS 80 Ca 0.21 -0.36 0.09 0.00 0.02 0.00 0.00 55.97 55.93 1fwu s LYS 80 Cb 0.22 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1fwu s LYS 80 CO -0.06 0.26 -0.14 -1.58 -0.92 0.00 0.00 175.35 172.91 1fwu s TRP 81 N 0.40 2.09 0.02 3.18 0.52 0.16 -1.50 118.94 123.82 1fwu s TRP 81 Ca 0.02 -0.50 -0.15 0.00 0.02 0.00 0.00 56.10 55.49 1fwu s TRP 81 Cb -0.13 -1.04 0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1fwu s TRP 81 CO 0.01 0.51 0.33 -1.83 0.02 0.00 0.00 176.95 175.98 1fwu s GLU 82 N -3.61 0.78 -0.20 4.98 -1.05 -0.59 -4.62 118.70 114.39 1fwu s GLU 82 Ca 0.28 -0.36 -0.17 0.00 -0.15 0.00 0.00 54.97 54.58 1fwu s GLU 82 Cb -0.01 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1fwu s GLU 82 CO 0.12 -0.24 0.45 0.00 0.95 0.00 0.00 175.26 176.54 1fwu n LYS 84 N 4.53 3.07 -2.79 0.00 4.76 0.85 -5.02 118.16 123.57 1fwu n LYS 84 Ca -0.07 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.09 1fwu n LYS 84 Cb 0.51 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 1fwu n LYS 84 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1fwu s ASN 85 N -1.00 6.35 -1.59 4.39 4.22 -1.26 -4.39 114.94 121.64 1fwu s ASN 85 Ca 0.00 0.94 -0.12 0.00 -2.14 0.00 0.00 52.86 51.54 1fwu s ASN 85 Cb 0.00 -2.25 0.10 0.00 1.28 0.00 0.00 41.25 40.38 1fwu s ASN 85 CO 0.00 -0.49 0.65 0.47 -2.04 0.00 0.00 177.10 175.69 1fwu n ASP 86 N -1.88 -2.25 -0.36 3.54 8.00 -1.26 -0.99 116.55 121.35 1fwu n ASP 86 Ca 0.01 -1.01 -0.05 0.00 0.71 0.00 0.00 54.79 54.45 1fwu n ASP 86 Cb 0.55 -2.86 -0.02 0.00 -0.02 0.00 0.00 41.12 38.76 1fwu n ASP 86 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fwu n THR 87 N -4.41 0.00 -2.22 -3.53 -2.24 -1.26 -4.88 114.28 95.74 1fwu n THR 87 Ca -0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1fwu n THR 87 Cb 0.56 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 1fwu n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1fwu s LEU 88 N -1.05 4.40 -0.03 3.22 2.96 -0.17 -1.13 118.68 126.87 1fwu s LEU 88 Ca 0.00 2.34 0.05 0.00 -0.22 0.00 0.00 54.13 56.30 1fwu s LEU 88 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1fwu s LEU 88 CO 0.00 -0.57 -0.18 0.12 -1.32 0.00 0.00 176.35 174.40 1fwu s PHE 89 N 0.56 1.71 0.19 5.38 5.36 -0.94 -0.10 117.98 130.13 1fwu s PHE 89 Ca 0.60 -0.43 -0.16 0.00 -0.96 0.00 0.00 56.93 55.97 1fwu s PHE 89 Cb -0.36 -1.13 0.06 0.00 -0.34 0.00 0.00 43.02 41.25 1fwu s PHE 89 CO 0.34 -0.12 0.80 0.41 -1.46 0.00 0.00 175.22 175.19 1fwu n GLY 90 N 2.95 0.83 3.76 13.12 0.00 -1.06 -0.26 105.19 124.53 1fwu n GLY 90 Ca -0.17 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1fwu n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fwu s ILE 91 N -2.18 2.54 0.17 -0.61 -1.09 -0.61 -1.54 121.20 117.88 1fwu s ILE 91 Ca 0.17 0.50 -0.32 0.00 -2.23 0.00 0.00 60.65 58.78 1fwu s ILE 91 Cb -0.03 -3.32 -0.11 0.00 -1.58 0.00 0.00 42.46 37.42 1fwu s ILE 91 CO 0.06 0.10 1.71 -0.75 -1.23 0.00 0.00 174.94 174.82 1fwu s LYS 92 N -1.17 4.15 0.00 2.79 2.20 -0.56 -2.59 119.74 124.57 1fwu s LYS 92 Ca 0.55 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 1fwu s LYS 92 Cb -0.42 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1fwu s LYS 92 CO 0.50 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1fwu n GLY 93 N 3.99 0.54 3.29 5.54 0.00 -1.26 -4.99 105.19 112.29 1fwu n GLY 93 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1fwu n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwu s THR 94 N -2.19 0.53 -0.57 2.61 -4.23 -1.07 -5.05 115.64 105.67 1fwu s THR 94 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1fwu s THR 94 Cb 0.00 -2.53 0.49 0.00 1.34 0.00 0.00 72.50 71.80 1fwu s THR 94 CO 0.00 -0.09 1.91 -0.62 -0.54 0.00 0.00 174.62 175.28 1fwu n GLU 95 N -0.41 2.66 -4.50 3.99 1.02 -1.26 -4.71 120.64 117.44 1fwu n GLU 95 Ca -0.01 -3.32 -0.33 0.00 -0.02 0.00 0.00 57.16 53.47 1fwu n GLU 95 Cb 0.66 -2.25 -0.14 0.00 -0.02 0.00 0.00 31.44 29.68 1fwu n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1fwu s LEU 96 N -3.68 2.68 0.15 -4.62 1.43 -1.26 -4.52 118.68 108.86 1fwu s LEU 96 Ca 0.61 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1fwu s LEU 96 Cb 0.49 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1fwu s LEU 96 CO 0.02 0.10 -0.01 -0.31 0.23 0.00 0.00 176.35 176.38 1fwu s TYR 97 N 0.74 2.86 -0.06 0.29 1.51 0.25 -1.58 117.35 121.35 1fwu s TYR 97 Ca -0.05 -0.12 -0.29 0.00 -1.01 0.00 0.00 57.07 55.59 1fwu s TYR 97 Cb -0.15 -1.41 -0.07 0.00 -0.11 0.00 0.00 41.96 40.22 1fwu s TYR 97 CO 0.02 0.50 1.87 0.12 -1.11 0.00 0.00 175.55 176.95 1fwu s PHE 98 N -1.61 1.56 0.04 2.71 5.36 0.65 -0.98 117.98 125.70 1fwu s PHE 98 Ca 0.27 -0.00 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1fwu s PHE 98 Cb -0.10 -4.08 -0.02 0.00 -0.34 0.00 0.00 43.02 38.48 1fwu s PHE 98 CO 0.18 -4.54 -0.07 1.21 -1.46 0.00 0.00 175.22 170.55 1fwu s ASN 99 N 4.68 0.71 -0.16 6.13 3.84 0.19 -4.32 114.94 126.01 1fwu s ASN 99 Ca 0.84 -0.54 -0.12 0.00 0.21 0.00 0.00 52.86 53.24 1fwu s ASN 99 Cb -0.36 0.05 0.05 0.00 -0.55 0.00 0.00 41.25 40.44 1fwu s ASN 99 CO 0.36 -0.23 0.40 -0.47 -2.79 0.00 0.00 177.10 174.37 1fwu s TYR 100 N -1.42 -0.50 0.00 0.43 5.04 -1.06 -0.68 117.35 119.16 1fwu s TYR 100 Ca -0.11 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1fwu s TYR 100 Cb -0.10 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1fwu s TYR 100 CO -0.00 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.36 1fwu n GLY 101 N 3.41 1.56 3.82 8.97 0.00 -1.26 -4.74 105.19 116.95 1fwu n GLY 101 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1fwu n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fwu s ASN 102 N -1.12 7.04 -1.10 1.61 0.01 -1.26 -4.32 114.94 115.80 1fwu s ASN 102 Ca 0.00 1.52 -0.04 0.00 -0.71 0.00 0.00 52.86 53.63 1fwu s ASN 102 Cb 0.00 -2.46 0.03 0.00 0.41 0.00 0.00 41.25 39.23 1fwu s ASN 102 CO 0.00 -0.10 0.20 0.54 -1.51 0.00 0.00 177.10 176.23 1fwu n ARG 103 N 0.24 -2.81 -1.92 -0.60 5.12 -1.26 -1.80 116.66 113.64 1fwu n ARG 103 Ca 0.01 0.53 -0.14 0.00 -1.93 0.00 0.00 57.85 56.33 1fwu n ARG 103 Cb 0.52 -5.18 -0.03 0.00 -1.16 0.00 0.00 32.46 26.61 1fwu n ARG 103 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1fwu n GLN 104 N -3.18 -1.72 -2.74 5.56 3.00 -1.26 -4.89 117.38 112.15 1fwu n GLN 104 Ca -0.09 0.74 -0.42 0.00 -0.01 0.00 0.00 57.00 57.21 1fwu n GLN 104 Cb 0.58 -5.17 -0.03 0.00 0.00 0.00 0.00 30.24 25.62 1fwu n GLN 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1fwu s GLU 105 N -4.10 4.28 0.17 -1.09 2.56 -0.75 -4.95 118.70 114.83 1fwu s GLU 105 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 54.97 56.21 1fwu s GLU 105 Cb 0.00 -3.61 0.04 0.00 2.00 0.00 0.00 34.13 32.56 1fwu s GLU 105 CO 0.00 -0.51 1.41 0.87 -0.56 0.00 0.00 175.26 176.47 1fwu h LYS 106 N 7.41 0.30 -6.96 4.30 1.57 -1.90 -3.41 116.57 117.88 1fwu h LYS 106 Ca -0.23 -0.28 -0.46 0.00 -1.87 0.00 0.00 60.65 57.81 1fwu h LYS 106 Cb 1.09 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1fwu h LYS 106 CO 0.92 0.95 0.35 1.21 -0.57 0.00 0.00 179.45 182.31 1fwu s ASN 107 N -6.96 7.12 0.41 0.86 2.47 -1.26 -4.14 114.94 113.44 1fwu s ASN 107 Ca -0.04 1.80 -0.26 0.00 0.42 0.00 0.00 52.86 54.78 1fwu s ASN 107 Cb 0.10 -2.57 -0.09 0.00 -1.45 0.00 0.00 41.25 37.25 1fwu s ASN 107 CO 0.83 -0.22 1.39 -0.63 -3.72 0.00 0.00 177.10 174.75 1fwu s ILE 108 N -1.83 2.29 0.17 -5.21 -1.09 -0.45 -4.91 121.20 110.16 1fwu s ILE 108 Ca 0.55 0.26 0.04 0.00 -2.23 0.00 0.00 60.65 59.28 1fwu s ILE 108 Cb -0.15 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 1fwu s ILE 108 CO 0.20 0.04 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.33 1fwu s LYS 109 N -2.27 1.13 -0.04 2.79 -0.14 0.14 -1.52 119.74 119.84 1fwu s LYS 109 Ca 0.57 -1.51 -0.18 0.00 -1.36 0.00 0.00 55.97 53.50 1fwu s LYS 109 Cb -0.42 -0.65 -0.05 0.00 -1.68 0.00 0.00 37.83 35.03 1fwu s LYS 109 CO 0.55 0.05 0.51 -0.51 -0.76 0.00 0.00 175.35 175.18 1fwu s LEU 110 N -3.20 4.39 -0.01 3.17 1.43 -0.36 0.53 118.68 124.62 1fwu s LEU 110 Ca 0.19 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1fwu s LEU 110 Cb 0.03 -2.76 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 1fwu s LEU 110 CO 0.03 0.14 0.05 -0.47 0.23 0.00 0.00 176.35 176.32 1fwu s TYR 111 N -0.20 0.05 -0.06 0.29 5.04 -0.15 -0.26 117.35 122.06 1fwu s TYR 111 Ca 0.27 -0.09 0.27 0.00 -2.44 0.00 0.00 57.07 55.08 1fwu s TYR 111 Cb -0.17 -0.05 0.88 0.00 0.35 0.00 0.00 41.96 42.97 1fwu s TYR 111 CO 0.14 -0.12 1.80 1.57 -1.34 0.00 0.00 175.55 177.60 1fwu h LYS 112 N 5.34 0.00 -6.91 4.97 2.10 -1.88 0.72 116.57 120.91 1fwu h LYS 112 Ca -0.28 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 57.86 1fwu h LYS 112 Cb 1.20 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.59 1fwu h LYS 112 CO 0.44 0.09 0.55 0.20 -2.00 0.00 0.00 179.45 178.73 1fwu s GLY 113 N -4.24 2.93 -0.26 0.07 0.00 -1.26 -4.86 107.32 99.70 1fwu s GLY 113 Ca 0.03 1.07 0.09 0.00 0.00 0.00 0.00 44.72 45.91 1fwu s GLY 113 CO 0.62 1.64 1.31 -1.14 0.00 0.00 0.00 173.10 175.52 1fwu n SER 114 N 0.38 2.71 -2.36 1.64 3.41 -1.26 -4.72 113.62 113.41 1fwu n SER 114 Ca 0.03 -3.85 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 1fwu n SER 114 Cb 0.45 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1fwu n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fwu n GLY 115 N -1.04 -0.69 0.30 5.00 0.00 -1.26 -4.82 105.19 102.68 1fwu n GLY 115 Ca 0.29 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 44.81 1fwu n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fwu h LEU 116 N 0.00 0.00 -0.44 0.99 3.38 -1.96 -1.11 115.31 116.16 1fwu h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fwu h LEU 116 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1fwu h LEU 116 CO 0.00 0.00 -0.15 0.79 0.09 0.00 0.00 178.44 179.17 1fwu n TRP 117 N -2.83 0.00 -0.02 1.13 8.01 -1.26 -3.44 117.44 119.02 1fwu n TRP 117 Ca -0.02 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.23 1fwu n TRP 117 Cb 0.14 -0.12 0.15 0.00 -2.01 0.00 0.00 31.31 29.47 1fwu n TRP 117 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1fwu n SER 118 N -0.66 2.89 -4.52 -0.99 7.64 -0.42 -2.56 113.62 115.00 1fwu n SER 118 Ca 0.15 -1.89 -0.34 0.00 1.01 0.00 0.00 58.87 57.79 1fwu n SER 118 Cb 0.31 -0.21 -0.12 0.00 -1.01 0.00 0.00 64.21 63.18 1fwu n SER 118 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1fwu s ARG 119 N -1.03 3.36 0.01 1.43 0.52 -1.22 -2.21 118.95 119.81 1fwu s ARG 119 Ca 0.25 -0.54 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 1fwu s ARG 119 Cb 0.14 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 1fwu s ARG 119 CO 0.19 0.38 -0.04 -1.58 0.02 0.00 0.00 175.30 174.27 1fwu s TRP 120 N -0.03 0.36 0.27 -0.53 0.52 -0.28 -4.57 118.94 114.67 1fwu s TRP 120 Ca 0.01 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 55.97 1fwu s TRP 120 Cb -0.13 -0.23 -0.06 0.00 -1.15 0.00 0.00 33.47 31.91 1fwu s TRP 120 CO 0.03 -0.05 -0.07 0.15 0.02 0.00 0.00 176.95 177.02 1fwu s LYS 121 N -0.63 1.52 -0.16 4.98 1.02 -0.16 -3.92 119.74 122.39 1fwu s LYS 121 Ca -0.04 -1.76 -0.29 0.00 0.02 0.00 0.00 55.97 53.90 1fwu s LYS 121 Cb -0.05 -1.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.09 1fwu s LYS 121 CO -0.00 0.06 1.19 0.08 -0.92 0.00 0.00 175.35 175.76 1fwu s VAL 122 N -3.00 4.39 0.13 3.17 1.01 -0.60 -1.07 120.40 124.44 1fwu s VAL 122 Ca 0.28 1.69 -0.35 0.00 0.00 0.00 0.00 61.98 63.60 1fwu s VAL 122 Cb 0.03 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 32.17 1fwu s VAL 122 CO 0.11 -0.12 1.43 0.00 0.00 0.00 0.00 175.10 176.53 1fwu n TYR 123 N 6.22 1.86 -0.32 5.22 9.36 -0.41 -1.35 117.16 137.74 1fwu n TYR 123 Ca 0.13 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.82 1fwu n TYR 123 Cb 0.46 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 1fwu n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fwu n GLY 124 N 2.85 0.71 3.30 2.98 0.00 -1.26 -4.78 105.19 108.99 1fwu n GLY 124 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1fwu n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwu s THR 125 N -2.46 0.00 -0.17 2.61 -4.23 -0.46 -5.04 115.64 105.90 1fwu s THR 125 Ca 0.00 -1.95 0.17 0.00 -1.18 0.00 0.00 61.69 58.73 1fwu s THR 125 Cb 0.00 -2.52 0.44 0.00 1.34 0.00 0.00 72.50 71.76 1fwu s THR 125 CO 0.00 0.00 1.32 0.35 -0.54 0.00 0.00 174.62 175.75 1fwu n THR 126 N -0.58 2.16 -4.01 3.99 -2.24 -1.26 -4.65 114.28 107.69 1fwu n THR 126 Ca 0.06 -2.13 -0.24 0.00 -2.27 0.00 0.00 64.05 59.47 1fwu n THR 126 Cb 0.63 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1fwu n THR 126 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fwu s ASP 127 N -2.37 6.04 0.97 3.42 1.01 -1.26 -5.00 116.67 119.47 1fwu s ASP 127 Ca 0.39 0.00 -0.14 0.00 0.71 0.00 0.00 52.55 53.51 1fwu s ASP 127 Cb 0.33 -1.72 0.17 0.00 1.01 0.00 0.00 42.92 42.71 1fwu s ASP 127 CO 0.06 -0.00 1.16 1.51 0.21 0.00 0.00 175.17 178.10 1fwu s ASP 128 N -3.58 3.00 0.51 0.27 1.47 -1.26 -1.55 116.67 115.52 1fwu s ASP 128 Ca 0.33 0.81 0.20 0.00 1.18 0.00 0.00 52.55 55.08 1fwu s ASP 128 Cb -0.10 -1.25 1.31 0.00 -0.34 0.00 0.00 42.92 42.55 1fwu s ASP 128 CO 0.27 -2.86 2.10 -0.07 0.68 0.00 0.00 175.17 175.30 1fwu h LEU 129 N -1.71 0.00 0.00 2.11 3.38 -1.88 -2.54 115.31 114.66 1fwu h LEU 129 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1fwu h LEU 129 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1fwu h LEU 129 CO 0.54 0.09 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1fwu n SER 131 N -1.44 0.65 -0.69 0.00 3.41 -0.96 -1.52 113.62 113.07 1fwu n SER 131 Ca 0.05 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.38 1fwu n SER 131 Cb 0.17 -0.79 0.13 0.00 -0.26 0.00 0.00 64.21 63.46 1fwu n SER 131 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fwu n ARG 132 N -2.21 1.94 -0.44 4.33 5.12 -1.00 -5.00 116.66 119.41 1fwu n ARG 132 Ca 0.02 -1.79 0.00 0.00 -1.93 0.00 0.00 57.85 54.16 1fwu n ARG 132 Cb 0.24 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1fwu n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fwu n GLY 133 N 0.79 1.58 0.00 -0.13 0.00 -0.58 -4.62 105.19 102.24 1fwu n GLY 133 Ca 0.12 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 44.18 1fwu n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fwu n TYR 134 N -0.55 0.00 0.43 1.61 4.02 -1.26 -5.07 117.16 116.33 1fwu n TYR 134 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1fwu n TYR 134 Cb 0.00 -0.13 0.04 0.00 -0.02 0.00 0.00 39.34 39.23 1fwu n TYR 134 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94