#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf0 n SER 2 N 0.00 -1.81 -0.10 1.61 2.88 -1.26 -4.92 113.62 110.02 1uf0 n SER 2 Ca 0.00 1.35 -0.13 0.00 -1.33 0.00 0.00 58.87 58.76 1uf0 n SER 2 Cb 0.00 -5.23 -0.04 0.00 -0.75 0.00 0.00 64.21 58.19 1uf0 n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1uf0 h SER 3 N 3.82 0.71 -0.15 -3.46 0.87 -2.13 -3.49 113.55 109.73 1uf0 h SER 3 Ca -0.46 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 1uf0 h SER 3 Cb 1.03 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1uf0 h SER 3 CO 0.03 1.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.95 1uf0 n GLY 4 N 0.10 -0.36 0.05 5.77 0.00 -1.26 -5.07 105.19 104.43 1uf0 n GLY 4 Ca -0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1uf0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uf0 n SER 5 N -0.00 2.58 -4.73 1.61 2.88 -1.26 -4.99 113.62 109.71 1uf0 n SER 5 Ca 0.00 -0.02 -0.41 0.00 -1.33 0.00 0.00 58.87 57.11 1uf0 n SER 5 Cb 0.00 0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1uf0 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uf0 s SER 6 N -4.49 7.26 0.20 -3.46 1.04 -1.26 -5.05 113.70 107.95 1uf0 s SER 6 Ca -0.08 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.41 1uf0 s SER 6 Cb 0.03 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1uf0 s SER 6 CO 0.40 -0.26 -0.00 -0.83 0.98 0.00 0.00 173.24 173.52 1uf0 s GLY 7 N 0.33 1.69 -0.20 7.32 0.00 -1.26 -5.13 107.32 110.06 1uf0 s GLY 7 Ca 0.52 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.65 1uf0 s GLY 7 CO 0.32 -1.50 0.50 0.54 0.00 0.00 0.00 173.10 172.96 1uf0 s LYS 8 N -3.18 0.50 0.78 2.90 -0.14 -1.26 -5.17 119.74 114.17 1uf0 s LYS 8 Ca 0.28 0.91 -0.03 0.00 -1.36 0.00 0.00 55.97 55.77 1uf0 s LYS 8 Cb -0.08 0.05 0.15 0.00 -1.68 0.00 0.00 37.83 36.27 1uf0 s LYS 8 CO 0.19 -0.15 1.07 0.15 -0.76 0.00 0.00 175.35 175.85 1uf0 s LYS 9 N 1.35 1.41 -0.02 1.68 1.02 -1.26 -5.04 119.74 118.88 1uf0 s LYS 9 Ca -0.09 -1.07 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1uf0 s LYS 9 Cb -0.07 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1uf0 s LYS 9 CO -0.13 -1.68 -0.11 0.00 -0.92 0.00 0.00 175.35 172.50 1uf0 s ALA 10 N -3.29 0.99 -0.17 5.17 0.00 -1.26 -4.81 121.76 118.39 1uf0 s ALA 10 Ca 0.69 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1uf0 s ALA 10 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1uf0 s ALA 10 CO 0.46 0.22 1.45 0.15 0.00 0.00 0.00 175.76 178.04 1uf0 s LYS 11 N -0.13 4.07 -0.71 0.00 1.02 -0.98 -4.73 119.74 118.28 1uf0 s LYS 11 Ca 0.02 1.74 -0.27 0.00 0.02 0.00 0.00 55.97 57.48 1uf0 s LYS 11 Cb -0.06 -3.90 0.02 0.00 -0.52 0.00 0.00 37.83 33.37 1uf0 s LYS 11 CO -0.00 -0.94 1.41 0.15 -0.92 0.00 0.00 175.35 175.06 1uf0 s LYS 12 N 4.00 3.07 0.02 1.68 -0.14 -1.26 -2.02 119.74 125.08 1uf0 s LYS 12 Ca 0.64 -0.06 0.04 0.00 -1.36 0.00 0.00 55.97 55.23 1uf0 s LYS 12 Cb -0.25 -4.23 -0.03 0.00 -1.68 0.00 0.00 37.83 31.64 1uf0 s LYS 12 CO 0.23 -2.28 -0.10 0.14 -0.76 0.00 0.00 175.35 172.58 1uf0 s VAL 13 N 6.49 3.40 -0.05 3.17 -7.23 -0.52 0.25 120.40 125.90 1uf0 s VAL 13 Ca 0.42 -0.90 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 1uf0 s VAL 13 Cb -0.09 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1uf0 s VAL 13 CO 0.16 0.37 -0.16 -0.60 -0.31 0.00 0.00 175.10 174.56 1uf0 s ARG 14 N -1.43 2.47 -0.10 4.82 3.52 0.97 0.61 118.95 129.81 1uf0 s ARG 14 Ca 0.16 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 1uf0 s ARG 14 Cb -0.11 -2.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.96 1uf0 s ARG 14 CO 0.07 0.59 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.89 1uf0 s PHE 15 N -0.66 2.26 0.43 5.12 0.08 0.70 -0.35 117.98 125.55 1uf0 s PHE 15 Ca 0.10 -0.94 0.07 0.00 0.12 0.00 0.00 56.93 56.28 1uf0 s PHE 15 Cb -0.11 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1uf0 s PHE 15 CO 0.00 -0.41 0.24 0.71 -0.10 0.00 0.00 175.22 175.66 1uf0 s TYR 16 N 0.51 2.54 -0.19 0.36 1.51 -0.61 0.61 117.35 122.09 1uf0 s TYR 16 Ca -0.16 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 55.20 1uf0 s TYR 16 Cb -0.17 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 1uf0 s TYR 16 CO 0.06 0.07 0.18 1.03 -1.11 0.00 0.00 175.55 175.77 1uf0 s ARG 17 N -3.98 4.20 -0.34 -0.62 0.52 -1.26 -1.05 118.95 116.41 1uf0 s ARG 17 Ca 0.41 -0.13 -0.28 0.00 -0.52 0.00 0.00 55.73 55.21 1uf0 s ARG 17 Cb 0.02 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 1uf0 s ARG 17 CO 0.23 0.29 1.73 1.21 0.02 0.00 0.00 175.30 178.78 1uf0 s ASN 18 N 0.36 5.98 0.00 0.23 2.47 -1.20 -3.03 114.94 119.75 1uf0 s ASN 18 Ca 0.10 1.22 0.00 0.00 0.42 0.00 0.00 52.86 54.60 1uf0 s ASN 18 Cb -0.12 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1uf0 s ASN 18 CO -0.00 -1.65 0.00 0.61 -3.72 0.00 0.00 177.10 172.33 1uf0 n GLY 19 N 5.36 3.25 3.53 1.21 0.00 -1.26 -4.85 105.19 112.43 1uf0 n GLY 19 Ca 0.22 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1uf0 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uf0 s ASP 20 N 0.00 6.30 0.18 1.61 -1.08 -1.17 -4.86 116.67 117.65 1uf0 s ASP 20 Ca 0.00 -0.37 0.11 0.00 -0.52 0.00 0.00 52.55 51.76 1uf0 s ASP 20 Cb 0.00 -2.49 -0.09 0.00 -1.46 0.00 0.00 42.92 38.87 1uf0 s ASP 20 CO 0.00 -1.47 1.32 0.08 0.52 0.00 0.00 175.17 175.62 1uf0 h ARG 21 N 9.58 0.00 -0.24 4.34 0.11 -1.95 -3.25 114.38 122.97 1uf0 h ARG 21 Ca -0.27 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.88 1uf0 h ARG 21 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 1uf0 h ARG 21 CO 1.17 0.76 0.17 1.88 0.10 0.00 0.00 179.97 184.06 1uf0 h TYR 22 N 0.00 0.00 -3.40 4.08 -1.99 -1.96 -3.43 116.97 110.28 1uf0 h TYR 22 Ca -0.02 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.16 1uf0 h TYR 22 Cb 1.61 0.00 0.10 0.00 2.00 0.00 0.00 36.73 40.44 1uf0 h TYR 22 CO 0.00 0.00 0.69 0.34 -0.00 0.00 0.00 178.16 179.19 1uf0 n PHE 23 N -4.43 2.62 -0.14 4.88 7.35 -1.23 -4.89 117.46 121.62 1uf0 n PHE 23 Ca 0.03 0.43 0.06 0.00 -0.76 0.00 0.00 57.45 57.21 1uf0 n PHE 23 Cb 0.32 -2.50 0.27 0.00 0.35 0.00 0.00 39.48 37.93 1uf0 n PHE 23 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1uf0 n LYS 24 N 1.10 3.29 -1.49 -4.13 5.02 -1.26 -4.94 118.16 115.75 1uf0 n LYS 24 Ca 0.05 -2.15 0.02 0.00 -2.02 0.00 0.00 58.31 54.21 1uf0 n LYS 24 Cb 0.36 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1uf0 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uf0 n GLY 25 N 0.75 -3.96 3.44 0.72 0.00 -1.26 -4.90 105.19 99.97 1uf0 n GLY 25 Ca 0.19 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1uf0 n GLY 25 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uf0 s ILE 26 N -5.26 3.85 -0.23 -0.61 2.07 0.20 -4.86 121.20 116.38 1uf0 s ILE 26 Ca 0.00 -0.35 -0.20 0.00 -1.41 0.00 0.00 60.65 58.69 1uf0 s ILE 26 Cb 0.00 -2.73 -0.02 0.00 0.13 0.00 0.00 42.46 39.83 1uf0 s ILE 26 CO 0.00 0.44 0.62 -0.69 -1.91 0.00 0.00 174.94 173.40 1uf0 s VAL 27 N 0.96 5.01 0.26 4.00 1.01 -1.26 -0.21 120.40 130.16 1uf0 s VAL 27 Ca 0.01 1.14 0.11 0.00 0.00 0.00 0.00 61.98 63.24 1uf0 s VAL 27 Cb -0.14 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1uf0 s VAL 27 CO 0.02 0.07 -0.11 -0.31 0.00 0.00 0.00 175.10 174.77 1uf0 s TYR 28 N 2.21 2.51 -0.36 5.22 2.02 0.20 -4.97 117.35 124.18 1uf0 s TYR 28 Ca 0.27 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1uf0 s TYR 28 Cb -0.16 -1.12 0.10 0.00 -0.40 0.00 0.00 41.96 40.38 1uf0 s TYR 28 CO 0.09 0.64 0.10 0.00 -1.57 0.00 0.00 175.55 174.81 1uf0 s ALA 29 N -2.27 2.98 -0.47 3.71 0.00 -1.26 -1.44 121.76 123.01 1uf0 s ALA 29 Ca 0.29 -2.47 -0.28 0.00 0.00 0.00 0.00 51.96 49.50 1uf0 s ALA 29 Cb -0.06 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1uf0 s ALA 29 CO 0.17 -1.69 1.65 0.42 0.00 0.00 0.00 175.76 176.30 1uf0 s ILE 30 N 1.02 3.60 0.25 0.00 -1.09 -0.86 -4.83 121.20 119.30 1uf0 s ILE 30 Ca 0.08 0.55 0.04 0.00 -2.23 0.00 0.00 60.65 59.09 1uf0 s ILE 30 Cb -0.21 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1uf0 s ILE 30 CO -0.06 -0.77 0.02 -0.44 -1.23 0.00 0.00 174.94 172.45 1uf0 s SER 31 N 5.75 1.92 0.40 3.58 0.01 -1.26 -2.31 113.70 121.78 1uf0 s SER 31 Ca 0.67 -1.26 0.17 0.00 1.31 0.00 0.00 55.95 56.84 1uf0 s SER 31 Cb -0.16 -0.00 0.83 0.00 0.21 0.00 0.00 66.02 66.90 1uf0 s SER 31 CO 0.28 -0.54 1.83 1.55 0.41 0.00 0.00 173.24 176.77 1uf0 h PRO 32 N 2.38 0.00 -0.93 12.44 0.13 -1.88 -2.37 132.00 141.77 1uf0 h PRO 32 Ca -0.39 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.22 1uf0 h PRO 32 Cb 1.23 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 1uf0 h PRO 32 CO 0.65 0.34 0.61 -3.47 -0.23 0.00 0.00 178.00 175.90 1uf0 n ASP 33 N -3.81 4.55 0.00 1.44 2.03 -1.26 -4.41 116.55 115.09 1uf0 n ASP 33 Ca -0.01 -3.67 0.00 0.00 0.52 0.00 0.00 54.79 51.63 1uf0 n ASP 33 Cb 0.42 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1uf0 n ASP 33 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1uf0 n ARG 34 N -1.09 0.00 -3.59 -0.67 1.74 -1.08 -5.08 116.66 106.89 1uf0 n ARG 34 Ca 0.58 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.45 1uf0 n ARG 34 Cb 1.37 -0.10 -0.15 0.00 -1.02 0.00 0.00 32.46 32.56 1uf0 n ARG 34 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uf0 s PHE 35 N -1.80 -0.07 -0.11 -1.55 0.08 -0.91 -4.92 117.98 108.69 1uf0 s PHE 35 Ca 0.00 0.16 0.11 0.00 0.12 0.00 0.00 56.93 57.32 1uf0 s PHE 35 Cb 0.00 -0.45 -0.24 0.00 -0.57 0.00 0.00 43.02 41.76 1uf0 s PHE 35 CO 0.00 -0.45 0.41 -2.13 -0.10 0.00 0.00 175.22 172.95 1uf0 n ARG 36 N 5.31 0.66 -4.43 0.44 3.00 -1.26 -4.65 116.66 115.73 1uf0 n ARG 36 Ca -0.05 0.20 -0.21 0.00 -0.00 0.00 0.00 57.85 57.78 1uf0 n ARG 36 Cb 0.49 -1.69 -0.10 0.00 0.00 0.00 0.00 32.46 31.17 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1uf0 s SER 37 N -6.05 2.15 0.25 6.15 0.01 -1.26 -4.98 113.70 109.97 1uf0 s SER 37 Ca -0.10 -1.49 0.07 0.00 1.31 0.00 0.00 55.95 55.74 1uf0 s SER 37 Cb 0.07 0.19 0.29 0.00 0.21 0.00 0.00 66.02 66.78 1uf0 s SER 37 CO 0.81 -0.76 1.58 0.15 0.41 0.00 0.00 173.24 175.42 1uf0 h PHE 38 N 2.09 0.18 -0.12 2.43 3.57 -1.94 -2.99 116.94 120.15 1uf0 h PHE 38 Ca -0.38 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1uf0 h PHE 38 Cb 1.25 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1uf0 h PHE 38 CO 0.87 0.72 -0.13 0.93 -2.23 0.00 0.00 178.31 178.47 1uf0 h GLU 39 N 0.10 0.19 -0.00 1.11 5.08 -1.96 -0.99 114.58 118.11 1uf0 h GLU 39 Ca -0.01 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1uf0 h GLU 39 Cb 1.11 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1uf0 h GLU 39 CO 0.09 0.33 -0.82 0.00 -1.00 0.00 0.00 179.01 177.61 1uf0 h ALA 40 N 1.69 0.63 0.02 3.43 0.00 -1.94 -2.75 119.26 120.33 1uf0 h ALA 40 Ca 0.04 -0.71 -0.23 0.00 0.00 0.00 0.00 54.91 54.00 1uf0 h ALA 40 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1uf0 h ALA 40 CO 0.02 0.94 -0.98 1.25 0.00 0.00 0.00 179.25 180.48 1uf0 h LEU 41 N 0.05 0.53 -0.76 0.00 5.85 -1.33 -3.23 115.31 116.42 1uf0 h LEU 41 Ca -0.02 -0.44 -0.13 0.00 0.84 0.00 0.00 57.88 58.13 1uf0 h LEU 41 Cb 1.43 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1uf0 h LEU 41 CO 0.12 1.25 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.92 1uf0 h LEU 42 N 0.22 0.37 -1.46 2.25 3.38 -1.22 -2.56 115.31 116.28 1uf0 h LEU 42 Ca -0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1uf0 h LEU 42 Cb 1.63 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1uf0 h LEU 42 CO 0.17 0.79 -0.06 0.00 0.09 0.00 0.00 178.44 179.43 1uf0 h ALA 43 N 1.23 1.56 0.04 1.53 0.00 -1.51 -1.65 119.26 120.46 1uf0 h ALA 43 Ca 0.02 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 1uf0 h ALA 43 Cb 0.94 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1uf0 h ALA 43 CO 0.08 0.32 -1.10 0.22 0.00 0.00 0.00 179.25 178.77 1uf0 h ASP 44 N 0.27 0.12 0.24 0.00 3.58 -1.53 -2.97 116.42 116.13 1uf0 h ASP 44 Ca 0.06 -0.13 -0.13 0.00 0.42 0.00 0.00 57.03 57.25 1uf0 h ASP 44 Cb 0.28 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1uf0 h ASP 44 CO 0.01 1.10 -0.50 -0.07 -2.88 0.00 0.00 179.24 176.90 1uf0 h LEU 45 N 0.02 0.32 -0.13 2.28 3.38 -1.03 -3.05 115.31 117.10 1uf0 h LEU 45 Ca -0.06 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.52 1uf0 h LEU 45 Cb 1.84 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.51 1uf0 h LEU 45 CO 0.15 0.77 -0.93 0.74 0.09 0.00 0.00 178.44 179.26 1uf0 h THR 46 N 0.24 1.33 -0.06 0.22 2.02 -1.38 0.18 112.91 115.45 1uf0 h THR 46 Ca 0.01 -2.25 0.01 0.00 0.77 0.00 0.00 66.41 64.95 1uf0 h THR 46 Cb 0.97 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1uf0 h THR 46 CO 0.08 0.69 0.04 -0.09 0.37 0.00 0.00 175.52 176.61 1uf0 h ARG 47 N 0.36 0.06 0.00 6.66 2.43 -1.46 -3.36 114.38 119.07 1uf0 h ARG 47 Ca -0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1uf0 h ARG 47 Cb 1.56 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1uf0 h ARG 47 CO 0.17 0.04 0.00 0.25 -1.51 0.00 0.00 179.97 178.92 1uf0 n THR 48 N -4.53 0.00 -2.22 0.20 -2.24 -1.16 -4.86 114.28 99.48 1uf0 n THR 48 Ca -0.02 0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.78 1uf0 n THR 48 Cb 0.11 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 66.93 1uf0 n THR 48 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uf0 s LEU 49 N -4.66 3.25 -0.30 3.22 1.43 0.61 -4.85 118.68 117.39 1uf0 s LEU 49 Ca 0.00 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 1uf0 s LEU 49 Cb 0.00 -2.55 0.20 0.00 0.03 0.00 0.00 46.19 43.88 1uf0 s LEU 49 CO 0.00 -2.23 1.29 -0.55 0.23 0.00 0.00 176.35 175.09 1uf0 s SER 50 N 6.72 -0.05 0.00 2.29 0.15 -1.26 -4.31 113.70 117.24 1uf0 s SER 50 Ca 0.58 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1uf0 s SER 50 Cb -0.09 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1uf0 s SER 50 CO 0.12 -0.01 0.00 -0.90 1.20 0.00 0.00 173.24 173.65 1uf0 n ASP 51 N 4.02 0.00 0.00 5.45 5.75 -0.96 -5.00 116.55 125.81 1uf0 n ASP 51 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 1uf0 n ASP 51 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1uf0 n ASP 51 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1uf0 n ASN 52 N -0.93 0.00 0.19 -1.12 2.85 -1.25 -4.58 115.26 110.42 1uf0 n ASN 52 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 1uf0 n ASN 52 Cb 0.00 0.00 0.58 0.00 1.24 0.00 0.00 39.78 41.60 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1uf0 h VAL 53 N 0.00 1.03 0.00 3.44 2.07 -1.99 -3.19 116.25 117.61 1uf0 h VAL 53 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1uf0 h VAL 53 Cb 0.00 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1uf0 h VAL 53 CO 0.00 0.03 -0.33 0.59 0.02 0.00 0.00 177.57 177.88 1uf0 n ASN 54 N -4.52 0.69 -3.62 0.57 3.02 -1.26 -4.93 115.26 105.21 1uf0 n ASN 54 Ca -0.01 0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 1uf0 n ASN 54 Cb 0.08 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 1uf0 n ASN 54 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1uf0 s LEU 55 N -6.01 2.03 0.08 3.41 1.43 -1.25 -4.94 118.68 113.42 1uf0 s LEU 55 Ca -0.10 -2.44 -0.16 0.00 -1.03 0.00 0.00 54.13 50.40 1uf0 s LEU 55 Cb 0.01 -0.79 -0.12 0.00 0.03 0.00 0.00 46.19 45.33 1uf0 s LEU 55 CO 0.14 -0.29 1.36 1.55 0.23 0.00 0.00 176.35 179.34 1uf0 h PRO 56 N 6.86 0.61 -0.00 1.29 0.13 -1.80 -2.55 132.00 136.55 1uf0 h PRO 56 Ca 0.01 -0.37 -0.25 0.00 -0.87 0.00 0.00 66.00 64.52 1uf0 h PRO 56 Cb 0.95 0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.12 1uf0 h PRO 56 CO 0.40 0.98 -1.00 1.96 -0.23 0.00 0.00 178.00 180.11 1uf0 h GLN 57 N 0.30 0.58 0.00 0.86 7.50 -1.92 -3.45 115.11 118.98 1uf0 h GLN 57 Ca 0.02 -0.62 0.00 0.00 0.50 0.00 0.00 58.65 58.55 1uf0 h GLN 57 Cb 0.93 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.63 1uf0 h GLN 57 CO 0.08 1.23 0.00 0.41 -1.50 0.00 0.00 178.83 179.05 1uf0 n GLY 58 N 1.02 0.38 2.99 3.46 0.00 -1.24 -5.05 105.19 106.74 1uf0 n GLY 58 Ca -0.09 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 1uf0 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf0 s VAL 59 N -3.10 1.23 0.07 1.61 0.11 -1.26 -4.30 120.40 114.76 1uf0 s VAL 59 Ca 0.00 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1uf0 s VAL 59 Cb 0.00 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1uf0 s VAL 59 CO 0.00 0.39 0.00 0.54 -3.33 0.00 0.00 175.10 172.70 1uf0 n ARG 60 N 4.42 0.00 -4.34 1.54 1.74 -0.71 -4.85 116.66 114.46 1uf0 n ARG 60 Ca -0.18 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.56 1uf0 n ARG 60 Cb 0.51 -0.38 -0.13 0.00 -1.02 0.00 0.00 32.46 31.44 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uf0 s THR 61 N -2.00 3.67 -0.20 0.55 2.01 -0.90 -5.02 115.64 113.75 1uf0 s THR 61 Ca 0.00 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1uf0 s THR 61 Cb 0.00 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1uf0 s THR 61 CO 0.00 0.48 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.74 1uf0 s ILE 62 N 0.64 3.57 0.30 1.82 1.01 -1.26 -1.10 121.20 126.18 1uf0 s ILE 62 Ca -0.03 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1uf0 s ILE 62 Cb -0.15 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1uf0 s ILE 62 CO 0.02 0.44 0.37 -0.31 0.00 0.00 0.00 174.94 175.47 1uf0 s TYR 63 N 1.12 3.14 1.04 3.97 1.51 0.75 0.52 117.35 129.41 1uf0 s TYR 63 Ca 0.02 -0.18 -0.15 0.00 -1.01 0.00 0.00 57.07 55.74 1uf0 s TYR 63 Cb -0.15 -1.79 0.21 0.00 -0.11 0.00 0.00 41.96 40.13 1uf0 s TYR 63 CO -0.00 0.19 1.15 0.95 -1.11 0.00 0.00 175.55 176.74 1uf0 s THR 64 N -2.16 1.86 0.22 -0.71 -4.23 -0.64 0.10 115.64 110.09 1uf0 s THR 64 Ca 0.40 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.90 1uf0 s THR 64 Cb -0.08 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1uf0 s THR 64 CO 0.29 0.00 1.59 -0.29 -0.54 0.00 0.00 174.62 175.67 1uf0 h ILE 65 N -1.98 1.30 0.03 2.99 6.09 -1.64 -3.19 117.51 121.12 1uf0 h ILE 65 Ca -0.48 -1.59 -0.25 0.00 -1.37 0.00 0.00 64.86 61.17 1uf0 h ILE 65 Cb 1.30 1.58 0.02 0.00 0.47 0.00 0.00 36.82 40.19 1uf0 h ILE 65 CO 0.47 0.50 -1.01 0.44 -3.07 0.00 0.00 178.15 175.49 1uf0 h ASP 66 N 0.45 0.84 -0.24 2.19 5.19 -1.93 -3.48 116.42 119.44 1uf0 h ASP 66 Ca 0.04 -0.76 0.00 0.00 -0.62 0.00 0.00 57.03 55.68 1uf0 h ASP 66 Cb 0.92 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1uf0 h ASP 66 CO 0.08 1.50 0.00 0.61 -3.12 0.00 0.00 179.24 178.31 1uf0 n GLY 67 N 1.16 0.81 0.92 2.75 0.00 -1.20 -5.04 105.19 104.59 1uf0 n GLY 67 Ca -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1uf0 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uf0 n LEU 68 N -0.12 0.56 -4.42 0.99 4.77 -1.26 -5.01 117.00 112.51 1uf0 n LEU 68 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1uf0 n LEU 68 Cb 0.04 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1uf0 n LEU 68 CO 0.00 -0.07 -0.47 -0.75 -1.33 0.00 0.00 177.39 174.77 1uf0 s LYS 69 N -1.79 1.54 -0.04 3.23 2.47 -1.26 -5.03 119.74 118.86 1uf0 s LYS 69 Ca 0.00 -1.67 0.07 0.00 -1.56 0.00 0.00 55.97 52.80 1uf0 s LYS 69 Cb 0.00 -1.56 -0.01 0.00 -1.46 0.00 0.00 37.83 34.79 1uf0 s LYS 69 CO 0.00 0.29 -0.24 -1.59 0.16 0.00 0.00 175.35 173.97 1uf0 s LYS 70 N -3.42 2.18 -0.03 4.03 -2.85 -1.26 -1.61 119.74 116.77 1uf0 s LYS 70 Ca 0.26 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 54.08 1uf0 s LYS 70 Cb -0.04 -1.96 -0.05 0.00 -2.06 0.00 0.00 37.83 33.72 1uf0 s LYS 70 CO 0.12 0.43 1.37 0.42 0.10 0.00 0.00 175.35 177.79 1uf0 s ILE 71 N -0.33 3.87 -0.09 3.79 -1.09 0.19 -4.88 121.20 122.65 1uf0 s ILE 71 Ca 0.02 1.21 0.06 0.00 -2.23 0.00 0.00 60.65 59.71 1uf0 s ILE 71 Cb -0.11 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 36.90 1uf0 s ILE 71 CO 0.01 -0.02 -0.01 -0.24 -1.23 0.00 0.00 174.94 173.45 1uf0 n SER 72 N 5.64 2.98 -3.70 3.58 2.88 -1.26 -4.21 113.62 119.52 1uf0 n SER 72 Ca 0.13 -0.02 -0.23 0.00 -1.33 0.00 0.00 58.87 57.43 1uf0 n SER 72 Cb 0.44 0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 64.31 1uf0 n SER 72 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uf0 n SER 73 N -2.45 1.76 0.10 -3.46 7.64 -1.26 -4.85 113.62 111.09 1uf0 n SER 73 Ca -0.15 -2.83 0.12 0.00 1.01 0.00 0.00 58.87 57.02 1uf0 n SER 73 Cb 0.76 0.70 0.23 0.00 -1.01 0.00 0.00 64.21 64.89 1uf0 n SER 73 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1uf0 h LEU 74 N 0.00 0.00 -3.38 -3.43 3.38 -1.93 -3.29 115.31 106.66 1uf0 h LEU 74 Ca -0.29 -0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.30 1uf0 h LEU 74 Cb 1.03 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 1uf0 h LEU 74 CO 0.47 0.05 0.35 0.47 0.09 0.00 0.00 178.44 179.87 1uf0 n ASP 75 N -2.32 3.96 -0.04 -0.43 8.00 -1.26 -4.05 116.55 120.41 1uf0 n ASP 75 Ca 0.04 -3.09 -0.04 0.00 0.71 0.00 0.00 54.79 52.41 1uf0 n ASP 75 Cb 0.46 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 1uf0 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf0 n GLN 76 N -0.37 2.22 -0.68 -1.24 6.02 -1.24 -5.04 117.38 117.04 1uf0 n GLN 76 Ca 0.39 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 57.10 1uf0 n GLN 76 Cb 1.28 -1.17 0.25 0.00 1.02 0.00 0.00 30.24 31.62 1uf0 n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1uf0 s LEU 77 N -4.75 0.32 0.05 1.08 1.43 -1.26 -5.06 118.68 110.49 1uf0 s LEU 77 Ca -0.05 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1uf0 s LEU 77 Cb 0.02 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1uf0 s LEU 77 CO 0.26 -4.39 -0.04 -0.69 0.23 0.00 0.00 176.35 171.72 1uf0 s VAL 78 N -2.58 0.31 -0.08 -1.59 1.01 -1.26 -5.11 120.40 111.10 1uf0 s VAL 78 Ca 0.68 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1uf0 s VAL 78 Cb -0.18 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1uf0 s VAL 78 CO 0.60 -0.81 1.69 -0.70 0.00 0.00 0.00 175.10 175.89 1uf0 s GLU 79 N -3.14 4.07 -0.29 2.72 2.12 -1.26 -3.79 118.70 119.13 1uf0 s GLU 79 Ca 0.01 2.12 -0.03 0.00 0.36 0.00 0.00 54.97 57.42 1uf0 s GLU 79 Cb 0.02 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1uf0 s GLU 79 CO -0.06 -0.98 0.32 0.41 -0.54 0.00 0.00 175.26 174.41 1uf0 n GLY 80 N 4.32 -0.87 3.53 -1.50 0.00 0.14 -4.87 105.19 105.94 1uf0 n GLY 80 Ca 0.18 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 1uf0 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf0 s GLU 81 N -2.46 1.56 0.02 1.61 0.41 -1.09 -5.02 118.70 113.73 1uf0 s GLU 81 Ca 0.05 -1.36 0.06 0.00 -0.41 0.00 0.00 54.97 53.31 1uf0 s GLU 81 Cb -0.02 0.44 -0.02 0.00 -1.78 0.00 0.00 34.13 32.76 1uf0 s GLU 81 CO 0.37 -0.64 -0.19 -1.12 -0.49 0.00 0.00 175.26 173.20 1uf0 s SER 82 N -3.06 2.21 -0.04 -0.19 0.01 -1.26 -0.02 113.70 111.35 1uf0 s SER 82 Ca 0.25 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 1uf0 s SER 82 Cb 0.00 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1uf0 s SER 82 CO 0.11 0.17 0.10 -0.31 0.41 0.00 0.00 173.24 173.71 1uf0 s TYR 83 N -0.65 -0.10 0.03 2.43 1.51 0.52 -1.60 117.35 119.50 1uf0 s TYR 83 Ca 0.06 0.30 -0.26 0.00 -1.01 0.00 0.00 57.07 56.16 1uf0 s TYR 83 Cb -0.08 -0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 41.67 1uf0 s TYR 83 CO 0.01 -0.09 0.82 0.08 -1.11 0.00 0.00 175.55 175.25 1uf0 s VAL 84 N 0.60 4.76 0.17 0.71 1.01 0.29 -1.57 120.40 126.37 1uf0 s VAL 84 Ca -0.05 1.74 -0.21 0.00 0.00 0.00 0.00 61.98 63.46 1uf0 s VAL 84 Cb -0.06 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 1uf0 s VAL 84 CO -0.02 0.31 0.71 0.00 0.00 0.00 0.00 175.10 176.10 1uf0 s GLY 86 N -1.38 0.20 0.06 0.00 0.00 -0.26 -3.22 107.32 102.72 1uf0 s GLY 86 Ca 0.38 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1uf0 s GLY 86 CO 0.22 -0.87 0.00 -1.26 0.00 0.00 0.00 173.10 171.20 1uf0 n SER 87 N -0.07 0.17 0.00 1.64 2.88 -1.26 -1.75 113.62 115.24 1uf0 n SER 87 Ca -0.14 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1uf0 n SER 87 Cb 0.62 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1uf0 n SER 87 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1uf0 n ILE 88 N -2.80 0.00 -1.18 2.46 -5.35 -1.26 -4.63 119.36 106.60 1uf0 n ILE 88 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1uf0 n ILE 88 Cb 0.00 -0.45 0.11 0.00 -1.74 0.00 0.00 39.64 37.56 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1uf0 n GLU 89 N -2.22 0.27 -0.87 6.28 0.00 -1.26 -5.00 120.64 117.85 1uf0 n GLU 89 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 57.16 57.02 1uf0 n GLU 89 Cb 0.28 -2.31 0.26 0.00 0.00 0.00 0.00 31.44 29.67 1uf0 n GLU 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1uf0 s PRO 90 N -3.77 -1.90 0.01 3.44 0.04 -1.26 -4.99 135.00 126.57 1uf0 s PRO 90 Ca 0.72 -0.07 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 1uf0 s PRO 90 Cb -0.31 -1.52 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1uf0 s PRO 90 CO 0.52 -4.16 0.79 0.12 0.04 0.00 0.00 177.00 174.31 1uf0 s PHE 91 N -2.80 3.68 -0.16 0.56 2.19 -1.26 -5.03 117.98 115.16 1uf0 s PHE 91 Ca 0.71 1.46 -0.01 0.00 0.33 0.00 0.00 56.93 59.42 1uf0 s PHE 91 Cb -0.10 -2.88 -0.01 0.00 -1.31 0.00 0.00 43.02 38.73 1uf0 s PHE 91 CO 0.56 0.17 -0.11 0.15 1.83 0.00 0.00 175.22 177.83 1uf0 s LYS 92 N 0.37 3.37 -0.46 10.12 1.02 -1.26 -5.08 119.74 127.81 1uf0 s LYS 92 Ca 0.41 -0.67 -0.23 0.00 0.02 0.00 0.00 55.97 55.50 1uf0 s LYS 92 Cb -0.20 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1uf0 s LYS 92 CO 0.23 0.07 0.77 0.21 -0.92 0.00 0.00 175.35 175.71 1uf0 s LYS 93 N 0.73 3.37 0.16 1.68 2.20 -1.26 -4.78 119.74 121.84 1uf0 s LYS 93 Ca -0.05 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.40 1uf0 s LYS 93 Cb -0.15 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 1uf0 s LYS 93 CO 0.02 -1.14 -0.02 -0.51 -0.36 0.00 0.00 175.35 173.33 1uf0 s LEU 94 N 3.26 2.22 -1.03 5.43 1.43 -1.26 -5.09 118.68 123.64 1uf0 s LEU 94 Ca 0.28 -1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 1uf0 s LEU 94 Cb -0.13 -0.10 0.18 0.00 0.03 0.00 0.00 46.19 46.18 1uf0 s LEU 94 CO 0.21 -0.53 1.16 -1.83 0.23 0.00 0.00 176.35 175.59 1uf0 s GLU 95 N -3.88 3.86 -0.08 1.70 1.03 -1.26 -4.81 118.70 115.25 1uf0 s GLU 95 Ca 0.22 -2.39 -0.24 0.00 0.03 0.00 0.00 54.97 52.59 1uf0 s GLU 95 Cb 0.06 -4.82 -0.30 0.00 -0.80 0.00 0.00 34.13 28.27 1uf0 s GLU 95 CO 0.02 -1.60 0.84 1.88 -1.33 0.00 0.00 175.26 175.08 1uf0 h TYR 96 N 7.75 0.38 -0.19 4.83 0.05 -1.96 -3.29 116.97 124.54 1uf0 h TYR 96 Ca 0.20 -0.28 0.06 0.00 0.05 0.00 0.00 58.73 58.76 1uf0 h TYR 96 Cb 0.95 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 1uf0 h TYR 96 CO 1.06 1.23 0.17 1.79 -1.05 0.00 0.00 178.16 181.36 1uf0 h THR 97 N -0.55 0.65 -0.77 -2.88 1.35 -1.94 -1.13 112.91 107.64 1uf0 h THR 97 Ca -0.11 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.79 1uf0 h THR 97 Cb 1.46 0.87 -0.04 0.00 -1.73 0.00 0.00 68.15 68.71 1uf0 h THR 97 CO 0.10 0.00 0.51 0.11 -0.25 0.00 0.00 175.52 175.99 1uf0 h LYS 98 N 0.00 0.91 -0.99 4.72 6.56 -1.96 0.60 116.57 126.41 1uf0 h LYS 98 Ca 0.09 -0.05 -0.49 0.00 -1.06 0.00 0.00 60.65 59.14 1uf0 h LYS 98 Cb 0.43 -0.20 -0.29 0.00 -0.57 0.00 0.00 32.23 31.60 1uf0 h LYS 98 CO -0.00 0.60 0.62 0.09 -2.06 0.00 0.00 179.45 178.70 1uf0 n ASN 99 N -4.45 3.75 0.00 0.86 3.02 -0.43 -4.33 115.26 113.68 1uf0 n ASN 99 Ca 0.10 -3.53 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 1uf0 n ASN 99 Cb 0.12 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 1uf0 n ASN 99 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1uf0 n VAL 100 N -1.06 0.00 -1.46 2.41 0.31 -0.46 -4.89 118.33 113.18 1uf0 n VAL 100 Ca 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 1uf0 n VAL 100 Cb 1.62 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.49 1uf0 n VAL 100 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uf0 n ASN 101 N -1.66 -7.59 -4.54 4.52 4.13 0.20 -4.59 115.26 105.73 1uf0 n ASN 101 Ca 0.00 1.02 -0.18 0.00 1.68 0.00 0.00 54.58 57.10 1uf0 n ASN 101 Cb 0.00 -3.67 -0.11 0.00 -1.54 0.00 0.00 39.78 34.46 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1uf0 n PRO 102 N 0.48 0.44 -2.70 3.52 -0.02 -1.26 -4.62 135.00 130.84 1uf0 n PRO 102 Ca 0.00 -0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 60.88 1uf0 n PRO 102 Cb 0.00 -2.93 0.06 0.00 -0.02 0.00 0.00 33.50 30.61 1uf0 n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1uf0 n ASN 103 N 14.94 -1.94 0.00 2.55 5.15 -1.26 -5.02 115.26 129.68 1uf0 n ASN 103 Ca 0.52 -2.26 0.00 0.00 -0.60 0.00 0.00 54.58 52.24 1uf0 n ASN 103 Cb 0.35 1.13 0.00 0.00 -0.53 0.00 0.00 39.78 40.73 1uf0 n ASN 103 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1uf0 n TRP 104 N 1.73 0.00 -1.17 1.20 4.27 -1.26 -4.86 117.44 117.34 1uf0 n TRP 104 Ca 0.06 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.38 1uf0 n TRP 104 Cb 0.67 0.34 0.10 0.00 -1.36 0.00 0.00 31.31 31.06 1uf0 n TRP 104 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1uf0 n SER 105 N -2.24 6.22 0.06 -0.67 2.88 -1.26 -4.07 113.62 114.55 1uf0 n SER 105 Ca 0.00 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 53.96 1uf0 n SER 105 Cb 0.02 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1uf0 n SER 105 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1uf0 n VAL 106 N -0.78 0.59 0.09 2.46 0.31 -1.26 -4.90 118.33 114.84 1uf0 n VAL 106 Ca 0.56 0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.96 1uf0 n VAL 106 Cb 0.95 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.61 1uf0 n VAL 106 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1uf0 h ASN 107 N 0.00 -0.23 -3.34 4.52 -1.24 -1.90 -3.43 115.58 109.96 1uf0 h ASN 107 Ca 0.00 -0.29 -0.65 0.00 0.71 0.00 0.00 56.30 56.08 1uf0 h ASN 107 Cb 0.17 0.06 -0.24 0.00 0.73 0.00 0.00 38.32 39.04 1uf0 h ASN 107 CO 0.00 0.22 -0.71 -0.69 -1.29 0.00 0.00 177.43 174.96 1uf0 s VAL 108 N -4.14 3.55 -0.17 2.57 1.01 -1.26 -5.10 120.40 116.86 1uf0 s VAL 108 Ca -0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1uf0 s VAL 108 Cb 0.01 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1uf0 s VAL 108 CO 0.54 0.48 -0.05 -0.75 0.00 0.00 0.00 175.10 175.32 1uf0 s LYS 109 N 0.61 3.54 0.63 2.72 2.20 -1.26 -4.48 119.74 123.69 1uf0 s LYS 109 Ca -0.04 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1uf0 s LYS 109 Cb -0.15 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1uf0 s LYS 109 CO 0.03 0.10 0.00 2.41 -0.36 0.00 0.00 175.35 177.52 1uf0 n THR 110 N 3.94 -1.30 -3.57 3.43 -1.04 -1.26 -5.05 114.28 109.43 1uf0 n THR 110 Ca -0.18 1.06 -0.15 0.00 -2.04 0.00 0.00 64.05 62.74 1uf0 n THR 110 Cb 0.52 -1.62 -0.06 0.00 -1.82 0.00 0.00 70.33 67.34 1uf0 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1uf0 s SER 111 N -6.96 -0.62 0.00 8.00 1.04 -1.26 -5.15 113.70 108.75 1uf0 s SER 111 Ca 0.00 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1uf0 s SER 111 Cb 0.00 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1uf0 s SER 111 CO 0.00 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1uf0 n GLY 112 N 1.49 2.30 3.20 7.32 0.00 -1.26 -5.03 105.19 113.21 1uf0 n GLY 112 Ca -0.16 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 1uf0 n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uf0 n PRO 113 N 1.73 -2.60 0.00 1.61 -0.02 -1.26 -5.01 135.00 129.45 1uf0 n PRO 113 Ca 0.00 -0.76 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 1uf0 n PRO 113 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1uf0 n PRO 113 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1uf0 n SER 114 N -2.72 1.36 -3.71 2.55 3.41 -1.26 -5.10 113.62 108.15 1uf0 n SER 114 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 1uf0 n SER 114 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 1uf0 n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uf0 s SER 115 N -4.52 -0.38 0.00 4.04 0.01 -1.26 -5.22 113.70 106.38 1uf0 s SER 115 Ca 0.00 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.78 1uf0 s SER 115 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1uf0 s SER 115 CO 0.00 -0.35 0.18 0.61 0.41 0.00 0.00 173.24 174.09