#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf0 s SER 2 N 0.00 -0.05 1.08 1.61 1.04 -1.26 -5.16 113.70 110.96 1uf0 s SER 2 Ca 0.00 0.18 -0.16 0.00 0.48 0.00 0.00 55.95 56.45 1uf0 s SER 2 Cb 0.00 0.11 0.23 0.00 0.10 0.00 0.00 66.02 66.46 1uf0 s SER 2 CO 0.00 -0.09 1.13 -0.94 0.98 0.00 0.00 173.24 174.32 1uf0 s SER 3 N 0.68 1.96 0.00 7.02 1.04 -1.26 -5.05 113.70 118.09 1uf0 s SER 3 Ca -0.05 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1uf0 s SER 3 Cb -0.07 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.86 1uf0 s SER 3 CO -0.03 -3.50 0.00 0.61 0.98 0.00 0.00 173.24 171.30 1uf0 n GLY 4 N -1.44 -1.78 3.78 7.32 0.00 -1.26 -4.93 105.19 106.88 1uf0 n GLY 4 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1uf0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uf0 s SER 5 N -1.89 5.40 0.00 1.61 1.04 -1.26 -4.77 113.70 113.83 1uf0 s SER 5 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1uf0 s SER 5 Cb 0.00 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1uf0 s SER 5 CO 0.00 0.07 0.00 -0.24 0.98 0.00 0.00 173.24 174.05 1uf0 n SER 6 N -0.36 0.00 -1.14 7.02 2.88 -1.26 -4.82 113.62 115.94 1uf0 n SER 6 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1uf0 n SER 6 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1uf0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uf0 n GLY 7 N 0.00 -4.36 3.75 0.46 0.00 -1.26 -4.98 105.19 98.80 1uf0 n GLY 7 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1uf0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf0 s LYS 8 N -2.04 4.22 0.35 1.61 -0.14 -1.26 -5.05 119.74 117.43 1uf0 s LYS 8 Ca 0.00 0.30 -0.28 0.00 -1.36 0.00 0.00 55.97 54.63 1uf0 s LYS 8 Cb 0.00 -3.39 -0.10 0.00 -1.68 0.00 0.00 37.83 32.66 1uf0 s LYS 8 CO 0.00 0.30 1.37 0.15 -0.76 0.00 0.00 175.35 176.40 1uf0 s LYS 9 N 0.23 4.25 -0.14 1.68 1.02 -1.26 -4.93 119.74 120.59 1uf0 s LYS 9 Ca 0.22 2.33 -0.02 0.00 0.02 0.00 0.00 55.97 58.52 1uf0 s LYS 9 Cb -0.15 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1uf0 s LYS 9 CO 0.08 -0.32 -0.06 0.00 -0.92 0.00 0.00 175.35 174.13 1uf0 s ALA 10 N -1.14 2.92 -0.26 5.17 0.00 -1.26 -4.80 121.76 122.39 1uf0 s ALA 10 Ca 0.51 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 1uf0 s ALA 10 Cb -0.42 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1uf0 s ALA 10 CO 0.56 0.27 1.93 0.15 0.00 0.00 0.00 175.76 178.67 1uf0 s LYS 11 N 0.21 3.37 -0.80 0.00 1.02 -0.87 -4.59 119.74 118.08 1uf0 s LYS 11 Ca -0.04 1.74 -0.25 0.00 0.02 0.00 0.00 55.97 57.43 1uf0 s LYS 11 Cb -0.14 -4.23 0.01 0.00 -0.52 0.00 0.00 37.83 32.94 1uf0 s LYS 11 CO 0.03 -1.82 1.58 0.15 -0.92 0.00 0.00 175.35 174.37 1uf0 s LYS 12 N 5.70 3.04 -0.01 1.68 -0.14 -1.26 -1.86 119.74 126.89 1uf0 s LYS 12 Ca 0.86 -0.25 0.03 0.00 -1.36 0.00 0.00 55.97 55.25 1uf0 s LYS 12 Cb -0.28 -4.66 -0.03 0.00 -1.68 0.00 0.00 37.83 31.18 1uf0 s LYS 12 CO 0.34 -2.51 -0.08 0.14 -0.76 0.00 0.00 175.35 172.48 1uf0 s VAL 13 N 7.10 3.59 0.04 3.17 -7.23 -0.58 0.10 120.40 126.59 1uf0 s VAL 13 Ca 0.51 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 1uf0 s VAL 13 Cb -0.07 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1uf0 s VAL 13 CO 0.08 0.43 0.06 -0.60 -0.31 0.00 0.00 175.10 174.76 1uf0 s ARG 14 N -1.28 2.90 -0.07 4.82 3.52 -0.45 -1.77 118.95 126.62 1uf0 s ARG 14 Ca 0.16 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 1uf0 s ARG 14 Cb -0.11 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.56 1uf0 s ARG 14 CO 0.06 0.60 0.01 -0.06 -0.81 0.00 0.00 175.30 175.10 1uf0 s PHE 15 N -1.28 0.56 0.47 5.12 0.08 -1.11 -1.38 117.98 120.45 1uf0 s PHE 15 Ca 0.26 -0.09 0.08 0.00 0.12 0.00 0.00 56.93 57.29 1uf0 s PHE 15 Cb -0.12 -0.74 0.02 0.00 -0.57 0.00 0.00 43.02 41.60 1uf0 s PHE 15 CO 0.18 -0.30 0.50 0.71 -0.10 0.00 0.00 175.22 176.20 1uf0 s TYR 16 N 2.00 2.26 -0.11 0.36 1.51 0.13 -2.65 117.35 120.85 1uf0 s TYR 16 Ca 0.05 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 1uf0 s TYR 16 Cb -0.12 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1uf0 s TYR 16 CO -0.05 -0.45 0.05 0.50 -1.11 0.00 0.00 175.55 174.49 1uf0 s ARG 17 N -4.31 3.29 -0.24 -0.62 3.52 -1.26 -0.34 118.95 118.99 1uf0 s ARG 17 Ca 0.49 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.48 1uf0 s ARG 17 Cb -0.05 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1uf0 s ARG 17 CO 0.30 0.64 1.58 1.21 -0.81 0.00 0.00 175.30 178.22 1uf0 s ASN 18 N -0.69 6.40 0.00 -2.12 3.84 -1.19 -2.60 114.94 118.58 1uf0 s ASN 18 Ca 0.12 1.54 0.00 0.00 0.21 0.00 0.00 52.86 54.73 1uf0 s ASN 18 Cb -0.12 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1uf0 s ASN 18 CO 0.02 -1.25 0.00 0.61 -2.79 0.00 0.00 177.10 173.69 1uf0 n GLY 19 N 4.65 1.06 2.57 1.21 0.00 -1.26 -4.99 105.19 108.43 1uf0 n GLY 19 Ca 0.18 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.52 1.48 0.19 1.61 2.15 -1.07 -4.97 116.67 113.54 1uf0 s ASP 20 Ca 0.00 -2.23 0.09 0.00 0.43 0.00 0.00 52.55 50.84 1uf0 s ASP 20 Cb 0.00 0.12 0.05 0.00 -0.30 0.00 0.00 42.92 42.78 1uf0 s ASP 20 CO 0.00 -0.23 1.43 0.08 -0.17 0.00 0.00 175.17 176.29 1uf0 h ARG 21 N 6.41 0.00 -0.03 4.34 0.11 -1.90 -3.17 114.38 120.15 1uf0 h ARG 21 Ca 0.12 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.16 1uf0 h ARG 21 Cb 0.99 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1uf0 h ARG 21 CO 0.25 0.82 -0.17 1.88 0.10 0.00 0.00 179.97 182.86 1uf0 h TYR 22 N 0.00 0.05 -3.62 4.08 -1.99 -1.93 -3.44 116.97 110.11 1uf0 h TYR 22 Ca -0.01 -0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.18 1uf0 h TYR 22 Cb 1.46 -0.01 0.10 0.00 2.00 0.00 0.00 36.73 40.28 1uf0 h TYR 22 CO 0.00 0.21 0.79 0.34 -0.00 0.00 0.00 178.16 179.50 1uf0 n PHE 23 N -4.32 2.88 0.07 4.88 7.35 -1.20 -4.92 117.46 122.20 1uf0 n PHE 23 Ca -0.02 0.39 -0.12 0.00 -0.76 0.00 0.00 57.45 56.93 1uf0 n PHE 23 Cb 0.24 -2.55 -0.13 0.00 0.35 0.00 0.00 39.48 37.40 1uf0 n PHE 23 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1uf0 h LYS 24 N 3.59 0.15 0.00 -4.13 3.64 -1.90 -3.49 116.57 114.43 1uf0 h LYS 24 Ca -0.49 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 1uf0 h LYS 24 Cb 1.24 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1uf0 h LYS 24 CO 0.69 1.06 0.00 0.41 -2.27 0.00 0.00 179.45 179.34 1uf0 n GLY 25 N 1.50 1.36 2.88 5.01 0.00 -1.26 -4.94 105.19 109.74 1uf0 n GLY 25 Ca -0.08 -2.21 -0.25 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.40 0.80 -0.20 -0.61 2.07 -1.08 -4.99 121.20 115.78 1uf0 s ILE 26 Ca 0.00 -0.17 -0.24 0.00 -1.41 0.00 0.00 60.65 58.83 1uf0 s ILE 26 Cb 0.00 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 1uf0 s ILE 26 CO 0.00 0.32 0.80 -0.69 -1.91 0.00 0.00 174.94 173.46 1uf0 s VAL 27 N 1.60 4.89 -0.06 4.00 1.01 -1.26 -2.75 120.40 127.83 1uf0 s VAL 27 Ca 0.01 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.58 1uf0 s VAL 27 Cb -0.13 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1uf0 s VAL 27 CO -0.05 0.01 -0.21 -0.31 0.00 0.00 0.00 175.10 174.53 1uf0 s TYR 28 N 2.35 2.10 -0.48 5.22 2.02 -0.73 -5.02 117.35 122.81 1uf0 s TYR 28 Ca 0.36 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 56.30 1uf0 s TYR 28 Cb -0.16 -1.40 0.12 0.00 -0.40 0.00 0.00 41.96 40.12 1uf0 s TYR 28 CO 0.10 -0.23 0.36 0.00 -1.57 0.00 0.00 175.55 174.21 1uf0 s ALA 29 N 0.04 3.42 -0.51 3.71 0.00 -1.26 -1.53 121.76 125.63 1uf0 s ALA 29 Ca -0.06 -2.52 -0.27 0.00 0.00 0.00 0.00 51.96 49.10 1uf0 s ALA 29 Cb -0.14 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1uf0 s ALA 29 CO 0.04 -1.91 2.00 0.42 0.00 0.00 0.00 175.76 176.31 1uf0 s ILE 30 N 1.39 3.28 0.08 0.00 -1.09 -0.78 -4.74 121.20 119.33 1uf0 s ILE 30 Ca 0.05 0.20 0.10 0.00 -2.23 0.00 0.00 60.65 58.77 1uf0 s ILE 30 Cb -0.26 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1uf0 s ILE 30 CO -0.00 -0.55 -0.26 -0.55 -1.23 0.00 0.00 174.94 172.35 1uf0 s SER 31 N 8.70 3.11 0.46 3.58 0.15 -1.26 -2.04 113.70 126.39 1uf0 s SER 31 Ca 0.79 -0.65 0.20 0.00 0.70 0.00 0.00 55.95 56.99 1uf0 s SER 31 Cb -0.17 -0.25 1.18 0.00 -1.71 0.00 0.00 66.02 65.08 1uf0 s SER 31 CO 0.25 0.21 1.91 -0.65 1.20 0.00 0.00 173.24 176.16 1uf0 h PRO 32 N 4.43 0.28 0.20 5.44 0.11 -1.89 -0.64 132.00 139.93 1uf0 h PRO 32 Ca -0.48 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.27 1uf0 h PRO 32 Cb 1.16 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.22 1uf0 h PRO 32 CO 0.42 0.18 -1.70 -0.44 -0.21 0.00 0.00 178.00 176.25 1uf0 h ASP 33 N 0.29 0.67 0.00 -2.05 3.32 -1.98 -3.41 116.42 113.26 1uf0 h ASP 33 Ca 0.39 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1uf0 h ASP 33 Cb 1.09 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1uf0 h ASP 33 CO -0.10 1.77 0.00 0.54 -1.72 0.00 0.00 179.24 179.73 1uf0 n ARG 34 N -3.62 0.00 -4.25 3.56 1.74 -0.63 -4.80 116.66 108.66 1uf0 n ARG 34 Ca -0.23 0.42 -0.33 0.00 -0.77 0.00 0.00 57.85 56.94 1uf0 n ARG 34 Cb 1.08 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 31.09 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 -2.42 3.13 -0.10 -1.55 0.08 -0.34 -4.98 117.98 111.80 1uf0 s PHE 35 Ca 0.00 0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.24 1uf0 s PHE 35 Cb 0.00 -1.70 -0.11 0.00 -0.57 0.00 0.00 43.02 40.64 1uf0 s PHE 35 CO 0.00 0.48 -0.00 0.54 -0.10 0.00 0.00 175.22 176.14 1uf0 n ARG 36 N 1.42 1.86 -3.97 0.44 5.12 -1.26 -4.33 116.66 115.93 1uf0 n ARG 36 Ca -0.15 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.67 1uf0 n ARG 36 Cb 0.53 -1.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.56 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1uf0 s SER 37 N -4.46 0.46 0.49 0.55 0.01 -1.26 -5.03 113.70 104.46 1uf0 s SER 37 Ca -0.08 -1.28 0.16 0.00 1.31 0.00 0.00 55.95 56.06 1uf0 s SER 37 Cb 0.03 0.72 1.19 0.00 0.21 0.00 0.00 66.02 68.18 1uf0 s SER 37 CO 0.37 -1.42 2.09 0.15 0.41 0.00 0.00 173.24 174.83 1uf0 h PHE 38 N 2.08 0.00 -0.54 2.43 3.57 -1.96 -1.88 116.94 120.65 1uf0 h PHE 38 Ca -0.29 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.24 1uf0 h PHE 38 Cb 1.24 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1uf0 h PHE 38 CO 1.30 0.07 0.36 0.93 -2.23 0.00 0.00 178.31 178.74 1uf0 h GLU 39 N 0.00 0.61 0.12 1.11 5.08 -1.98 0.62 114.58 120.14 1uf0 h GLU 39 Ca -0.00 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.05 1uf0 h GLU 39 Cb 0.13 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1uf0 h GLU 39 CO 0.01 0.40 -1.21 0.00 -1.00 0.00 0.00 179.01 177.21 1uf0 h ALA 40 N 1.69 0.10 -0.10 3.43 0.00 -1.76 -2.63 119.26 119.99 1uf0 h ALA 40 Ca 0.21 -0.82 -0.24 0.00 0.00 0.00 0.00 54.91 54.06 1uf0 h ALA 40 Cb 0.07 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1uf0 h ALA 40 CO -0.05 0.85 -0.87 1.25 0.00 0.00 0.00 179.25 180.43 1uf0 h LEU 41 N 0.15 0.94 -1.01 0.00 5.85 -1.18 -2.77 115.31 117.29 1uf0 h LEU 41 Ca -0.15 -0.67 -0.10 0.00 0.84 0.00 0.00 57.88 57.80 1uf0 h LEU 41 Cb 1.91 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1uf0 h LEU 41 CO 0.21 1.46 -0.43 -0.07 -0.34 0.00 0.00 178.44 179.28 1uf0 h LEU 42 N 0.49 0.15 -0.20 2.25 3.38 0.12 -1.86 115.31 119.64 1uf0 h LEU 42 Ca -0.08 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1uf0 h LEU 42 Cb 1.51 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1uf0 h LEU 42 CO 0.18 0.56 -0.19 0.00 0.09 0.00 0.00 178.44 179.08 1uf0 h ALA 43 N 1.45 0.29 -0.40 1.53 0.00 -1.46 -2.55 119.26 118.12 1uf0 h ALA 43 Ca 0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1uf0 h ALA 43 Cb 0.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1uf0 h ALA 43 CO 0.06 0.21 -0.04 0.22 0.00 0.00 0.00 179.25 179.71 1uf0 h ASP 44 N 0.15 0.72 -0.15 0.00 1.82 -1.42 -2.16 116.42 115.38 1uf0 h ASP 44 Ca 0.03 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1uf0 h ASP 44 Cb 0.73 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1uf0 h ASP 44 CO 0.05 0.88 0.10 -0.07 -1.61 0.00 0.00 179.24 178.59 1uf0 h LEU 45 N 0.55 0.19 -0.22 2.28 3.38 -1.36 -1.33 115.31 118.79 1uf0 h LEU 45 Ca 0.11 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 1uf0 h LEU 45 Cb 0.54 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1uf0 h LEU 45 CO 0.03 0.15 -0.91 0.74 0.09 0.00 0.00 178.44 178.54 1uf0 h THR 46 N 0.22 1.58 -0.02 0.22 2.02 -1.19 0.33 112.91 116.07 1uf0 h THR 46 Ca 0.06 -2.90 -0.14 0.00 0.77 0.00 0.00 66.41 64.20 1uf0 h THR 46 Cb -0.01 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1uf0 h THR 46 CO -0.01 0.83 -0.64 -0.09 0.37 0.00 0.00 175.52 175.99 1uf0 h ARG 47 N 0.04 0.07 0.00 6.66 2.43 -0.63 -3.33 114.38 119.62 1uf0 h ARG 47 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1uf0 h ARG 47 Cb 1.57 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 1uf0 h ARG 47 CO 0.13 0.68 -0.20 0.25 -1.51 0.00 0.00 179.97 179.32 1uf0 n THR 48 N -3.80 0.33 -1.39 0.20 -2.24 -0.67 -4.71 114.28 102.00 1uf0 n THR 48 Ca -0.02 0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 61.76 1uf0 n THR 48 Cb 0.63 -1.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.21 1uf0 n THR 48 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1uf0 n LEU 49 N -2.91 6.34 -2.88 3.22 4.77 0.11 -4.53 117.00 121.12 1uf0 n LEU 49 Ca -0.03 -3.73 0.03 0.00 -0.03 0.00 0.00 56.01 52.26 1uf0 n LEU 49 Cb 0.10 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 1uf0 n LEU 49 CO 0.04 0.88 0.55 -0.55 -1.33 0.00 0.00 177.39 176.98 1uf0 s SER 50 N 3.46 -0.18 0.00 -1.43 0.15 -1.25 -4.54 113.70 109.91 1uf0 s SER 50 Ca 0.53 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1uf0 s SER 50 Cb 0.14 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1uf0 s SER 50 CO -0.03 -0.03 0.00 0.47 1.20 0.00 0.00 173.24 174.86 1uf0 n ASP 51 N 4.16 0.00 0.00 5.45 9.92 -1.26 -4.85 116.55 129.96 1uf0 n ASP 51 Ca 0.07 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1uf0 n ASP 51 Cb 0.62 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1uf0 n ASP 51 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1uf0 n ASN 52 N -1.18 0.00 -0.08 -2.24 2.85 -1.26 -4.93 115.26 108.42 1uf0 n ASN 52 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1uf0 n ASN 52 Cb 0.00 0.03 -0.12 0.00 1.24 0.00 0.00 39.78 40.92 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 1.43 0.53 3.44 2.07 -1.97 -3.18 116.25 118.58 1uf0 h VAL 53 Ca 0.00 -2.28 -0.03 0.00 0.82 0.00 0.00 66.70 65.21 1uf0 h VAL 53 Cb 0.00 2.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1uf0 h VAL 53 CO 0.00 0.49 -0.26 0.78 0.02 0.00 0.00 177.57 178.60 1uf0 h ASN 54 N -0.99 -0.61 -3.42 0.57 2.35 -1.96 -3.40 115.58 108.13 1uf0 h ASN 54 Ca -0.15 0.02 -0.62 0.00 -0.55 0.00 0.00 56.30 55.01 1uf0 h ASN 54 Cb 1.13 0.16 -0.40 0.00 0.05 0.00 0.00 38.32 39.26 1uf0 h ASN 54 CO -0.09 -0.41 -0.70 -0.76 -1.65 0.00 0.00 177.43 173.82 1uf0 s LEU 55 N -7.35 3.40 0.07 1.61 1.43 -1.26 -4.96 118.68 111.62 1uf0 s LEU 55 Ca -0.10 -3.09 -0.17 0.00 -1.03 0.00 0.00 54.13 49.74 1uf0 s LEU 55 Cb 0.01 -1.23 -0.12 0.00 0.03 0.00 0.00 46.19 44.88 1uf0 s LEU 55 CO 0.31 -0.20 1.36 1.55 0.23 0.00 0.00 176.35 179.61 1uf0 h PRO 56 N 6.19 0.58 -0.10 1.29 0.13 -1.77 -3.30 132.00 135.03 1uf0 h PRO 56 Ca 0.05 -0.34 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1uf0 h PRO 56 Cb 0.87 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1uf0 h PRO 56 CO 0.57 0.94 -0.06 0.37 -0.23 0.00 0.00 178.00 179.60 1uf0 h GLN 57 N 0.27 0.21 0.00 0.86 4.15 -1.93 -3.48 115.11 115.19 1uf0 h GLN 57 Ca 0.02 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1uf0 h GLN 57 Cb 0.88 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1uf0 h GLN 57 CO 0.07 0.58 0.00 0.41 -1.93 0.00 0.00 178.83 177.96 1uf0 n GLY 58 N 0.06 0.48 3.07 2.39 0.00 -1.24 -5.06 105.19 104.88 1uf0 n GLY 58 Ca -0.07 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.82 1.70 0.01 1.61 0.11 -1.26 -4.09 120.40 114.66 1uf0 s VAL 59 Ca 0.00 -0.73 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1uf0 s VAL 59 Cb 0.00 -1.55 -0.00 0.00 -1.53 0.00 0.00 36.38 33.30 1uf0 s VAL 59 CO 0.00 0.48 -0.01 0.54 -3.33 0.00 0.00 175.10 172.78 1uf0 n ARG 60 N 4.48 0.01 -3.63 1.54 1.74 0.11 -4.94 116.66 115.96 1uf0 n ARG 60 Ca -0.19 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.52 1uf0 n ARG 60 Cb 0.51 -0.15 -0.11 0.00 -1.02 0.00 0.00 32.46 31.68 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 -1.15 5.09 -0.48 0.55 2.01 -0.52 -4.95 115.64 116.18 1uf0 s THR 61 Ca -0.01 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1uf0 s THR 61 Cb 0.00 -3.41 0.12 0.00 0.01 0.00 0.00 72.50 69.21 1uf0 s THR 61 CO 0.01 0.28 0.36 -0.63 -0.69 0.00 0.00 174.62 173.95 1uf0 s ILE 62 N 1.68 4.40 0.68 1.82 1.01 -1.24 -1.44 121.20 128.11 1uf0 s ILE 62 Ca 0.07 -1.69 -0.11 0.00 0.00 0.00 0.00 60.65 58.92 1uf0 s ILE 62 Cb -0.16 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1uf0 s ILE 62 CO 0.09 -0.76 1.06 -0.31 0.00 0.00 0.00 174.94 175.01 1uf0 s TYR 63 N 1.41 3.25 1.26 3.97 1.51 -0.48 -0.19 117.35 128.08 1uf0 s TYR 63 Ca 0.05 1.34 -0.21 0.00 -1.01 0.00 0.00 57.07 57.24 1uf0 s TYR 63 Cb -0.27 -2.86 0.31 0.00 -0.11 0.00 0.00 41.96 39.03 1uf0 s TYR 63 CO 0.00 -1.12 1.11 0.95 -1.11 0.00 0.00 175.55 175.39 1uf0 s THR 64 N -3.11 1.49 0.44 -0.71 -4.23 0.19 0.10 115.64 109.82 1uf0 s THR 64 Ca 0.57 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.28 1uf0 s THR 64 Cb -0.13 -2.48 0.23 0.00 1.34 0.00 0.00 72.50 71.45 1uf0 s THR 64 CO 0.54 0.00 2.03 -0.29 -0.54 0.00 0.00 174.62 176.37 1uf0 h ILE 65 N -2.76 0.91 0.07 2.99 2.10 -1.60 -3.04 117.51 116.18 1uf0 h ILE 65 Ca -0.42 -0.57 -0.21 0.00 1.08 0.00 0.00 64.86 64.74 1uf0 h ILE 65 Cb 1.28 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 38.33 1uf0 h ILE 65 CO 0.28 0.15 -1.10 -0.78 -1.08 0.00 0.00 178.15 175.62 1uf0 h ASP 66 N 0.00 0.25 0.00 2.19 3.58 -1.91 -3.48 116.42 117.05 1uf0 h ASP 66 Ca -0.00 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.63 1uf0 h ASP 66 Cb 0.31 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1uf0 h ASP 66 CO 0.02 1.47 0.00 0.61 -2.88 0.00 0.00 179.24 178.46 1uf0 n GLY 67 N 1.65 1.13 0.90 -0.78 0.00 -1.15 -5.02 105.19 101.93 1uf0 n GLY 67 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.25 -4.89 0.99 4.77 -1.26 -4.94 117.00 111.92 1uf0 n LEU 68 Ca 0.00 0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.67 1uf0 n LEU 68 Cb 0.00 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1uf0 n LEU 68 CO 0.00 0.06 -0.03 -0.54 -1.33 0.00 0.00 177.39 175.55 1uf0 s LYS 69 N -2.03 3.59 -0.27 3.23 -0.14 -1.26 -4.96 119.74 117.91 1uf0 s LYS 69 Ca -0.02 -0.11 0.03 0.00 -1.36 0.00 0.00 55.97 54.50 1uf0 s LYS 69 Cb 0.01 -2.98 0.06 0.00 -1.68 0.00 0.00 37.83 33.24 1uf0 s LYS 69 CO 0.03 0.57 -0.10 -1.59 -0.76 0.00 0.00 175.35 173.50 1uf0 s LYS 70 N -2.21 2.23 0.01 1.68 -2.85 -1.26 -0.64 119.74 116.69 1uf0 s LYS 70 Ca 0.34 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.64 1uf0 s LYS 70 Cb -0.13 -2.92 -0.06 0.00 -2.06 0.00 0.00 37.83 32.65 1uf0 s LYS 70 CO 0.21 -0.59 1.52 0.42 0.10 0.00 0.00 175.35 177.01 1uf0 s ILE 71 N 1.10 3.48 -0.10 3.79 -1.09 0.74 -4.88 121.20 124.24 1uf0 s ILE 71 Ca -0.08 0.85 0.19 0.00 -2.23 0.00 0.00 60.65 59.38 1uf0 s ILE 71 Cb -0.20 -3.55 0.42 0.00 -1.58 0.00 0.00 42.46 37.56 1uf0 s ILE 71 CO -0.05 -0.01 1.19 -0.24 -1.23 0.00 0.00 174.94 174.60 1uf0 n SER 72 N 5.73 1.34 -1.71 3.58 2.88 -1.26 -3.64 113.62 120.53 1uf0 n SER 72 Ca 0.15 -2.91 -0.02 0.00 -1.33 0.00 0.00 58.87 54.76 1uf0 n SER 72 Cb 0.42 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.27 -0.70 -0.12 -3.46 7.64 -1.26 -5.04 113.62 110.40 1uf0 n SER 73 Ca 0.12 -1.43 -0.17 0.00 1.01 0.00 0.00 58.87 58.41 1uf0 n SER 73 Cb 0.93 1.15 -0.12 0.00 -1.01 0.00 0.00 64.21 65.16 1uf0 n SER 73 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1uf0 n LEU 74 N 0.00 2.74 0.13 -3.43 4.77 -1.26 -4.39 117.00 115.55 1uf0 n LEU 74 Ca -0.02 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 1uf0 n LEU 74 Cb 0.20 -0.76 0.22 0.00 -2.33 0.00 0.00 43.42 40.75 1uf0 n LEU 74 CO 0.08 0.89 0.59 0.44 -1.33 0.00 0.00 177.39 178.06 1uf0 h ASP 75 N 0.00 0.12 -0.39 -1.43 3.32 -2.03 -2.92 116.42 113.09 1uf0 h ASP 75 Ca -0.55 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.45 1uf0 h ASP 75 Cb 1.89 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.39 1uf0 h ASP 75 CO -0.08 0.60 0.26 1.56 -1.72 0.00 0.00 179.24 179.86 1uf0 h GLN 76 N 0.09 0.49 -7.15 3.56 4.20 -1.98 -3.43 115.11 110.90 1uf0 h GLN 76 Ca 0.00 -0.03 -0.44 0.00 0.06 0.00 0.00 58.65 58.24 1uf0 h GLN 76 Cb 0.91 -0.11 0.21 0.00 0.30 0.00 0.00 27.48 28.79 1uf0 h GLN 76 CO 0.07 0.33 0.01 -0.51 -0.67 0.00 0.00 178.83 178.06 1uf0 s LEU 77 N -9.46 0.89 0.00 1.46 1.43 -1.10 -5.05 118.68 106.84 1uf0 s LEU 77 Ca -0.08 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.59 1uf0 s LEU 77 Cb 0.18 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1uf0 s LEU 77 CO 0.73 -4.21 -0.03 -0.69 0.23 0.00 0.00 176.35 172.38 1uf0 s VAL 78 N -2.45 0.22 0.06 -1.59 1.01 -1.26 -5.07 120.40 111.32 1uf0 s VAL 78 Ca 0.68 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1uf0 s VAL 78 Cb -0.25 -0.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.82 1uf0 s VAL 78 CO 0.64 -0.03 1.88 -0.70 0.00 0.00 0.00 175.10 176.89 1uf0 s GLU 79 N -0.32 4.15 -0.21 2.72 2.12 -1.26 -3.38 118.70 122.52 1uf0 s GLU 79 Ca -0.02 2.57 -0.01 0.00 0.36 0.00 0.00 54.97 57.87 1uf0 s GLU 79 Cb -0.03 -3.91 -0.01 0.00 0.26 0.00 0.00 34.13 30.45 1uf0 s GLU 79 CO -0.00 -0.90 0.19 0.41 -0.54 0.00 0.00 175.26 174.42 1uf0 n GLY 80 N 4.37 -0.01 2.44 -1.50 0.00 0.28 -4.87 105.19 105.90 1uf0 n GLY 80 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1uf0 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uf0 n GLU 81 N -1.56 0.34 -3.86 1.61 -0.58 -1.17 -5.04 120.64 110.39 1uf0 n GLU 81 Ca -0.01 -2.47 -0.12 0.00 -0.42 0.00 0.00 57.16 54.14 1uf0 n GLU 81 Cb 0.51 2.07 -0.13 0.00 -0.57 0.00 0.00 31.44 33.32 1uf0 n GLU 81 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1uf0 s SER 82 N -2.75 -0.04 0.00 1.62 0.01 -1.26 -1.34 113.70 109.94 1uf0 s SER 82 Ca 0.29 0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 1uf0 s SER 82 Cb 0.01 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1uf0 s SER 82 CO 0.21 -0.03 0.14 -0.31 0.41 0.00 0.00 173.24 173.65 1uf0 s TYR 83 N -0.05 0.03 -0.26 2.43 1.51 -0.48 -1.51 117.35 119.04 1uf0 s TYR 83 Ca -0.01 -0.12 -0.09 0.00 -1.01 0.00 0.00 57.07 55.84 1uf0 s TYR 83 Cb -0.01 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.76 1uf0 s TYR 83 CO 0.00 -0.29 0.13 0.08 -1.11 0.00 0.00 175.55 174.36 1uf0 s VAL 84 N -1.37 4.88 0.45 0.71 1.01 0.29 0.18 120.40 126.56 1uf0 s VAL 84 Ca -0.15 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 1uf0 s VAL 84 Cb -0.07 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1uf0 s VAL 84 CO 0.02 0.31 1.21 0.00 0.00 0.00 0.00 175.10 176.64 1uf0 s GLY 86 N -1.17 -0.24 -0.00 0.00 0.00 -0.52 -3.17 107.32 102.22 1uf0 s GLY 86 Ca 0.62 0.74 -0.02 0.00 0.00 0.00 0.00 44.72 46.06 1uf0 s GLY 86 CO 0.39 0.55 -0.04 -1.26 0.00 0.00 0.00 173.10 172.74 1uf0 n SER 87 N 2.04 0.43 -1.39 1.64 2.88 -1.26 -0.71 113.62 117.24 1uf0 n SER 87 Ca -0.17 0.06 -0.01 0.00 -1.33 0.00 0.00 58.87 57.42 1uf0 n SER 87 Cb 0.57 -0.29 -0.01 0.00 -0.75 0.00 0.00 64.21 63.72 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 -2.91 0.06 -4.42 2.46 -5.35 -1.26 -4.63 119.36 103.32 1uf0 n ILE 88 Ca -0.02 -0.65 -0.26 0.00 -0.27 0.00 0.00 62.75 61.55 1uf0 n ILE 88 Cb 0.06 0.80 -0.12 0.00 -1.74 0.00 0.00 39.64 38.64 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1uf0 s GLU 89 N -0.17 1.50 0.43 6.28 -1.05 -1.26 -5.13 118.70 119.31 1uf0 s GLU 89 Ca 0.18 -1.53 -0.24 0.00 -0.15 0.00 0.00 54.97 53.23 1uf0 s GLU 89 Cb 0.22 -1.79 -0.08 0.00 -0.44 0.00 0.00 34.13 32.04 1uf0 s GLU 89 CO -0.09 0.38 1.18 -1.25 0.95 0.00 0.00 175.26 176.44 1uf0 s PRO 90 N -2.72 3.89 0.03 -4.83 0.04 -1.26 -4.94 135.00 125.22 1uf0 s PRO 90 Ca 0.21 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1uf0 s PRO 90 Cb -0.08 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 1uf0 s PRO 90 CO 0.10 -0.46 1.95 0.12 0.04 0.00 0.00 177.00 178.75 1uf0 s PHE 91 N -1.45 1.31 -0.20 0.56 2.19 -1.26 -4.96 117.98 114.16 1uf0 s PHE 91 Ca 0.60 -0.43 -0.15 0.00 0.33 0.00 0.00 56.93 57.28 1uf0 s PHE 91 Cb -0.31 -4.23 -0.04 0.00 -1.31 0.00 0.00 43.02 37.13 1uf0 s PHE 91 CO 0.38 -5.51 0.36 0.15 1.83 0.00 0.00 175.22 172.43 1uf0 s LYS 92 N 4.45 4.17 -0.57 10.12 1.02 -1.26 -5.04 119.74 132.63 1uf0 s LYS 92 Ca 0.88 0.13 -0.28 0.00 0.02 0.00 0.00 55.97 56.72 1uf0 s LYS 92 Cb -0.42 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.39 1uf0 s LYS 92 CO 0.41 0.00 1.19 0.15 -0.92 0.00 0.00 175.35 176.18 1uf0 s LYS 93 N 1.19 3.54 0.08 1.68 1.02 -1.26 -4.77 119.74 121.22 1uf0 s LYS 93 Ca 0.17 0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.46 1uf0 s LYS 93 Cb -0.14 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1uf0 s LYS 93 CO 0.07 -1.65 -0.05 -0.51 -0.92 0.00 0.00 175.35 172.29 1uf0 s LEU 94 N 4.91 2.50 -0.73 3.17 1.43 -1.26 -5.10 118.68 123.59 1uf0 s LEU 94 Ca 0.44 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 1uf0 s LEU 94 Cb -0.07 0.02 0.08 0.00 0.03 0.00 0.00 46.19 46.24 1uf0 s LEU 94 CO 0.26 -0.50 1.04 -1.61 0.23 0.00 0.00 176.35 175.77 1uf0 s GLU 95 N -3.80 3.22 -0.21 1.70 2.02 -1.26 -4.84 118.70 115.53 1uf0 s GLU 95 Ca 0.10 -0.95 -0.21 0.00 0.02 0.00 0.00 54.97 53.93 1uf0 s GLU 95 Cb 0.06 -4.39 -0.19 0.00 0.10 0.00 0.00 34.13 29.70 1uf0 s GLU 95 CO -0.06 -1.86 0.21 0.66 0.02 0.00 0.00 175.26 174.23 1uf0 n TYR 96 N 7.73 1.01 0.23 1.61 4.01 -1.26 -4.15 117.16 126.34 1uf0 n TYR 96 Ca 0.03 0.43 0.14 0.00 -0.16 0.00 0.00 57.90 58.34 1uf0 n TYR 96 Cb 0.47 -1.10 0.79 0.00 -0.31 0.00 0.00 39.34 39.19 1uf0 n TYR 96 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1uf0 h THR 97 N -0.96 0.67 -0.35 -0.72 1.35 -1.93 -1.24 112.91 109.72 1uf0 h THR 97 Ca -0.36 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.60 1uf0 h THR 97 Cb 1.34 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1uf0 h THR 97 CO -0.21 0.00 0.26 0.50 -0.25 0.00 0.00 175.52 175.83 1uf0 h LYS 98 N 0.00 0.00 -0.40 4.72 3.64 -1.97 -0.40 116.57 122.16 1uf0 h LYS 98 Ca 0.05 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 1uf0 h LYS 98 Cb 0.23 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.91 1uf0 h LYS 98 CO -0.00 0.00 -0.14 0.09 -2.27 0.00 0.00 179.45 177.13 1uf0 n ASN 99 N -4.35 2.88 -4.27 4.20 3.02 -0.47 -5.00 115.26 111.27 1uf0 n ASN 99 Ca 0.06 -3.80 -0.18 0.00 -0.03 0.00 0.00 54.58 50.62 1uf0 n ASN 99 Cb 0.44 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 1uf0 n ASN 99 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uf0 s VAL 100 N -3.47 1.45 -0.13 2.41 1.01 -0.16 -4.88 120.40 116.63 1uf0 s VAL 100 Ca 0.46 -1.84 0.02 0.00 0.00 0.00 0.00 61.98 60.62 1uf0 s VAL 100 Cb 0.41 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1uf0 s VAL 100 CO -0.01 -0.45 -0.19 0.21 0.00 0.00 0.00 175.10 174.66 1uf0 s ASN 101 N -2.65 2.86 -0.85 3.32 3.84 -1.26 -4.97 114.94 115.23 1uf0 s ASN 101 Ca 0.12 -0.54 -0.25 0.00 0.21 0.00 0.00 52.86 52.41 1uf0 s ASN 101 Cb -0.04 -1.31 -0.01 0.00 -0.55 0.00 0.00 41.25 39.35 1uf0 s ASN 101 CO 0.04 0.05 1.70 -2.16 -2.79 0.00 0.00 177.10 173.94 1uf0 s PRO 102 N 0.91 2.93 -0.04 0.43 0.04 -1.26 -4.40 135.00 133.61 1uf0 s PRO 102 Ca -0.06 -0.31 0.01 0.00 0.04 0.00 0.00 61.00 60.69 1uf0 s PRO 102 Cb -0.15 -4.87 0.05 0.00 0.04 0.00 0.00 34.50 29.57 1uf0 s PRO 102 CO -0.02 -2.76 0.55 -1.71 0.04 0.00 0.00 177.00 173.09 1uf0 n ASN 103 N 11.74 -0.20 -0.03 6.66 5.15 -1.26 -4.99 115.26 132.33 1uf0 n ASN 103 Ca 0.29 -0.99 -0.04 0.00 -0.60 0.00 0.00 54.58 53.24 1uf0 n ASN 103 Cb 0.49 0.09 -0.04 0.00 -0.53 0.00 0.00 39.78 39.79 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 -0.18 0.00 -2.04 1.20 4.27 -1.26 -4.72 117.44 114.71 1uf0 n TRP 104 Ca -0.03 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.48 1uf0 n TRP 104 Cb 0.50 -0.28 0.08 0.00 -1.36 0.00 0.00 31.31 30.25 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 -2.38 3.25 -0.04 -0.67 2.88 -1.26 -4.70 113.62 110.70 1uf0 n SER 105 Ca -0.11 -3.45 -0.05 0.00 -1.33 0.00 0.00 58.87 53.94 1uf0 n SER 105 Cb 0.67 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.73 0.52 -2.76 2.46 0.31 -1.26 -4.84 118.33 112.03 1uf0 n VAL 106 Ca 0.29 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.94 1uf0 n VAL 106 Cb 0.88 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.96 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1uf0 s ASN 107 N -4.36 6.23 -0.34 4.52 2.47 -1.26 -4.73 114.94 117.47 1uf0 s ASN 107 Ca -0.08 -0.61 0.11 0.00 0.42 0.00 0.00 52.86 52.70 1uf0 s ASN 107 Cb 0.03 -2.47 0.38 0.00 -1.45 0.00 0.00 41.25 37.74 1uf0 s ASN 107 CO 0.26 -1.48 1.45 0.55 -3.72 0.00 0.00 177.10 174.16 1uf0 n VAL 108 N 6.16 0.00 -3.68 -5.21 3.14 -1.26 -5.09 118.33 112.38 1uf0 n VAL 108 Ca 0.00 -1.07 -0.10 0.00 -2.96 0.00 0.00 64.34 60.21 1uf0 n VAL 108 Cb 0.47 0.97 -0.10 0.00 -1.06 0.00 0.00 33.84 34.12 1uf0 n VAL 108 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1uf0 s LYS 109 N 0.14 0.45 0.47 1.45 0.00 -1.26 -5.11 119.74 115.87 1uf0 s LYS 109 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 55.97 56.96 1uf0 s LYS 109 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 37.83 38.25 1uf0 s LYS 109 CO -0.11 -0.16 0.00 2.41 0.00 0.00 0.00 175.35 177.49 1uf0 n THR 110 N 4.28 -4.93 -0.09 3.79 -1.04 -1.26 -4.94 114.28 110.09 1uf0 n THR 110 Ca -0.23 2.18 -0.15 0.00 -2.04 0.00 0.00 64.05 63.82 1uf0 n THR 110 Cb 0.56 -3.01 -0.08 0.00 -1.82 0.00 0.00 70.33 65.98 1uf0 n THR 110 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1uf0 h SER 111 N 1.56 0.00 -5.23 8.00 0.02 -1.99 -3.50 113.55 112.41 1uf0 h SER 111 Ca 0.00 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 1uf0 h SER 111 Cb 0.00 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 1uf0 h SER 111 CO 0.00 1.17 -0.17 -0.83 -1.14 0.00 0.00 176.83 175.86 1uf0 s GLY 112 N -4.55 0.42 0.21 -3.77 0.00 -1.26 -5.06 107.32 93.31 1uf0 s GLY 112 Ca -0.22 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 1uf0 s GLY 112 CO 0.45 -0.65 1.71 -2.55 0.00 0.00 0.00 173.10 172.07 1uf0 h PRO 113 N 2.35 0.26 -6.49 2.90 0.11 -2.01 -3.42 132.00 125.70 1uf0 h PRO 113 Ca -0.29 -0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.35 1uf0 h PRO 113 Cb 1.25 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1uf0 h PRO 113 CO 0.41 0.17 -0.23 -1.12 -0.21 0.00 0.00 178.00 177.02 1uf0 s SER 114 N -5.30 6.09 0.01 -2.05 0.01 -1.26 -5.00 113.70 106.19 1uf0 s SER 114 Ca -0.13 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1uf0 s SER 114 Cb 0.17 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1uf0 s SER 114 CO 0.74 -0.42 0.00 -0.24 0.41 0.00 0.00 173.24 173.73 1uf0 n SER 115 N -1.79 -0.04 0.00 2.44 2.88 -1.26 -4.98 113.62 110.87 1uf0 n SER 115 Ca -0.03 0.01 0.05 0.00 -1.33 0.00 0.00 58.87 57.57 1uf0 n SER 115 Cb 0.57 0.36 0.27 0.00 -0.75 0.00 0.00 64.21 64.66 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42