#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 0.00 -4.56 1.61 7.64 -1.26 -4.67 113.62 112.38 1uf0 n SER 2 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1uf0 n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uf0 s SER 3 N -3.30 4.27 0.00 6.43 1.04 -1.26 -4.67 113.70 116.21 1uf0 s SER 3 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1uf0 s SER 3 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1uf0 s SER 3 CO 0.00 -3.54 0.00 0.61 0.98 0.00 0.00 173.24 171.29 1uf0 n GLY 4 N 6.83 3.71 1.70 7.32 0.00 -1.26 -4.96 105.19 118.52 1uf0 n GLY 4 Ca 0.45 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1uf0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uf0 n SER 5 N 0.00 -3.02 -0.05 1.61 7.64 -1.26 -4.97 113.62 113.58 1uf0 n SER 5 Ca 0.00 0.75 -0.10 0.00 1.01 0.00 0.00 58.87 60.52 1uf0 n SER 5 Cb 0.00 2.93 -0.15 0.00 -1.01 0.00 0.00 64.21 65.99 1uf0 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uf0 n SER 6 N -3.24 0.75 0.00 6.43 7.64 -1.26 -4.62 113.62 119.32 1uf0 n SER 6 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1uf0 n SER 6 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1uf0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 7 N 1.68 -1.84 2.49 0.23 0.00 -1.26 -4.88 105.19 101.61 1uf0 n GLY 7 Ca -0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1uf0 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uf0 n LYS 8 N -1.39 -1.58 -3.24 1.61 3.00 -1.26 -4.96 118.16 110.35 1uf0 n LYS 8 Ca 0.00 1.11 -0.36 0.00 -0.00 0.00 0.00 58.31 59.07 1uf0 n LYS 8 Cb 0.00 -5.65 -0.06 0.00 0.00 0.00 0.00 35.03 29.32 1uf0 n LYS 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1uf0 s LYS 9 N -4.43 4.11 0.46 1.64 -0.14 -1.26 -5.07 119.74 115.06 1uf0 s LYS 9 Ca 0.00 0.67 -0.15 0.00 -1.36 0.00 0.00 55.97 55.13 1uf0 s LYS 9 Cb 0.00 -2.93 -0.08 0.00 -1.68 0.00 0.00 37.83 33.14 1uf0 s LYS 9 CO 0.00 0.45 0.90 0.00 -0.76 0.00 0.00 175.35 175.94 1uf0 s ALA 10 N -1.47 3.16 -0.46 5.17 0.00 -1.26 -4.93 121.76 121.98 1uf0 s ALA 10 Ca 0.39 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 1uf0 s ALA 10 Cb -0.16 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1uf0 s ALA 10 CO 0.20 -0.09 0.61 0.21 0.00 0.00 0.00 175.76 176.69 1uf0 s LYS 11 N -3.82 3.21 -0.64 0.00 2.47 0.23 -4.82 119.74 116.36 1uf0 s LYS 11 Ca 0.57 -0.57 -0.27 0.00 -1.56 0.00 0.00 55.97 54.13 1uf0 s LYS 11 Cb -0.10 -3.99 0.02 0.00 -1.46 0.00 0.00 37.83 32.29 1uf0 s LYS 11 CO 0.28 -1.05 1.39 0.15 0.16 0.00 0.00 175.35 176.28 1uf0 s LYS 12 N 2.68 3.20 -0.05 4.03 -0.14 -1.26 -1.76 119.74 126.43 1uf0 s LYS 12 Ca 0.19 0.17 0.04 0.00 -1.36 0.00 0.00 55.97 55.01 1uf0 s LYS 12 Cb -0.16 -4.17 0.00 0.00 -1.68 0.00 0.00 37.83 31.83 1uf0 s LYS 12 CO 0.16 -2.09 -0.16 0.14 -0.76 0.00 0.00 175.35 172.64 1uf0 s VAL 13 N 6.18 1.40 -0.18 3.17 -7.23 -1.20 0.96 120.40 123.50 1uf0 s VAL 13 Ca 0.46 -0.68 -0.06 0.00 -1.81 0.00 0.00 61.98 59.89 1uf0 s VAL 13 Cb -0.09 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 1uf0 s VAL 13 CO 0.20 0.41 0.03 -0.60 -0.31 0.00 0.00 175.10 174.83 1uf0 s ARG 14 N 0.21 3.87 -0.12 4.82 3.52 -0.02 -1.29 118.95 129.94 1uf0 s ARG 14 Ca -0.07 -0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.09 1uf0 s ARG 14 Cb -0.13 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1uf0 s ARG 14 CO 0.03 0.24 0.02 -0.06 -0.81 0.00 0.00 175.30 174.72 1uf0 s PHE 15 N 0.43 3.19 0.55 5.12 0.08 -0.49 -0.74 117.98 126.12 1uf0 s PHE 15 Ca 0.01 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.22 1uf0 s PHE 15 Cb -0.13 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1uf0 s PHE 15 CO 0.01 0.36 0.28 0.71 -0.10 0.00 0.00 175.22 176.48 1uf0 s TYR 16 N -0.49 1.56 -0.17 0.36 1.51 0.19 -2.55 117.35 117.76 1uf0 s TYR 16 Ca 0.09 -0.93 -0.06 0.00 -1.01 0.00 0.00 57.07 55.16 1uf0 s TYR 16 Cb -0.12 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1uf0 s TYR 16 CO 0.02 -0.30 0.02 0.50 -1.11 0.00 0.00 175.55 174.69 1uf0 s ARG 17 N -4.18 3.83 -0.33 -0.62 3.52 -1.26 -1.76 118.95 118.15 1uf0 s ARG 17 Ca 0.21 -0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 1uf0 s ARG 17 Cb -0.02 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1uf0 s ARG 17 CO 0.13 0.28 1.59 1.21 -0.81 0.00 0.00 175.30 177.71 1uf0 s ASN 18 N 0.30 6.22 0.00 -2.12 2.47 -1.16 -2.61 114.94 118.04 1uf0 s ASN 18 Ca 0.01 1.22 0.00 0.00 0.42 0.00 0.00 52.86 54.51 1uf0 s ASN 18 Cb -0.13 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1uf0 s ASN 18 CO 0.01 -1.46 0.00 0.61 -3.72 0.00 0.00 177.10 172.54 1uf0 n GLY 19 N 5.04 2.36 3.56 1.21 0.00 -1.26 -4.95 105.19 111.15 1uf0 n GLY 19 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 0.37 6.32 -0.08 1.61 2.15 -1.07 -4.92 116.67 121.04 1uf0 s ASP 20 Ca 0.00 0.01 0.13 0.00 0.43 0.00 0.00 52.55 53.11 1uf0 s ASP 20 Cb 0.00 -2.26 -0.23 0.00 -0.30 0.00 0.00 42.92 40.12 1uf0 s ASP 20 CO 0.00 -0.45 0.52 -2.11 -0.17 0.00 0.00 175.17 172.96 1uf0 n ARG 21 N 5.70 0.65 0.25 4.34 1.85 -1.26 -4.06 116.66 124.13 1uf0 n ARG 21 Ca -0.05 0.24 0.11 0.00 -1.00 0.00 0.00 57.85 57.15 1uf0 n ARG 21 Cb 0.49 -1.73 0.73 0.00 -1.05 0.00 0.00 32.46 30.89 1uf0 n ARG 21 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 1uf0 h TYR 22 N 0.00 0.00 -1.95 2.89 0.05 -1.91 -3.42 116.97 112.63 1uf0 h TYR 22 Ca -0.35 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.84 1uf0 h TYR 22 Cb 2.06 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.81 1uf0 h TYR 22 CO 0.00 0.00 1.35 0.34 -1.05 0.00 0.00 178.16 178.80 1uf0 n PHE 23 N -4.31 2.12 -0.16 4.88 7.35 -1.26 -4.86 117.46 121.22 1uf0 n PHE 23 Ca -0.02 -0.11 -0.08 0.00 -0.76 0.00 0.00 57.45 56.48 1uf0 n PHE 23 Cb 0.13 -2.71 0.01 0.00 0.35 0.00 0.00 39.48 37.26 1uf0 n PHE 23 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1uf0 h LYS 24 N 12.52 0.67 0.00 -4.13 1.57 -1.90 -3.47 116.57 121.83 1uf0 h LYS 24 Ca -0.43 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1uf0 h LYS 24 Cb 1.26 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1uf0 h LYS 24 CO 0.96 0.57 0.00 0.41 -0.57 0.00 0.00 179.45 180.82 1uf0 n GLY 25 N -0.90 3.98 3.28 3.86 0.00 -1.26 -4.85 105.19 109.29 1uf0 n GLY 25 Ca 0.01 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.37 2.88 0.45 -0.61 2.07 -1.06 -4.98 121.20 118.58 1uf0 s ILE 26 Ca 0.00 -0.68 -0.12 0.00 -1.41 0.00 0.00 60.65 58.43 1uf0 s ILE 26 Cb 0.00 -2.25 -0.07 0.00 0.13 0.00 0.00 42.46 40.27 1uf0 s ILE 26 CO 0.00 0.49 0.85 -0.69 -1.91 0.00 0.00 174.94 173.68 1uf0 s VAL 27 N 1.01 4.70 0.22 4.00 1.01 -1.26 -1.40 120.40 128.68 1uf0 s VAL 27 Ca -0.01 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1uf0 s VAL 27 Cb -0.15 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1uf0 s VAL 27 CO -0.02 -0.61 0.13 -0.31 0.00 0.00 0.00 175.10 174.29 1uf0 s TYR 28 N -2.50 1.28 -0.41 5.22 2.02 -0.41 -4.95 117.35 117.60 1uf0 s TYR 28 Ca 0.54 -1.36 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 1uf0 s TYR 28 Cb -0.10 -0.65 0.14 0.00 -0.40 0.00 0.00 41.96 40.95 1uf0 s TYR 28 CO 0.32 -0.59 0.24 0.00 -1.57 0.00 0.00 175.55 173.96 1uf0 s ALA 29 N -4.02 1.74 0.07 3.71 0.00 -1.26 -3.27 121.76 118.72 1uf0 s ALA 29 Ca 0.39 -2.37 -0.31 0.00 0.00 0.00 0.00 51.96 49.67 1uf0 s ALA 29 Cb 0.07 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 1uf0 s ALA 29 CO 0.13 -2.07 1.50 0.42 0.00 0.00 0.00 175.76 175.74 1uf0 s ILE 30 N 0.54 3.26 0.16 0.00 -1.09 -0.72 -4.76 121.20 118.59 1uf0 s ILE 30 Ca 0.19 0.78 -0.24 0.00 -2.23 0.00 0.00 60.65 59.15 1uf0 s ILE 30 Cb -0.22 -3.50 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 1uf0 s ILE 30 CO -0.01 0.02 0.72 -0.55 -1.23 0.00 0.00 174.94 173.89 1uf0 s SER 31 N 1.78 -0.41 0.21 3.58 0.15 -1.26 -0.60 113.70 117.15 1uf0 s SER 31 Ca 0.68 -0.19 -0.09 0.00 0.70 0.00 0.00 55.95 57.05 1uf0 s SER 31 Cb -0.37 0.58 0.31 0.00 -1.71 0.00 0.00 66.02 64.83 1uf0 s SER 31 CO 0.30 -0.99 1.72 -0.65 1.20 0.00 0.00 173.24 174.82 1uf0 h PRO 32 N 2.00 0.33 0.16 5.44 0.11 -1.95 0.59 132.00 138.69 1uf0 h PRO 32 Ca -0.27 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.57 1uf0 h PRO 32 Cb 1.27 -0.07 0.03 0.00 0.11 0.00 0.00 31.00 32.34 1uf0 h PRO 32 CO 0.32 0.22 -1.08 -0.44 -0.21 0.00 0.00 178.00 176.81 1uf0 h ASP 33 N 0.34 0.67 -0.41 -2.05 3.32 -1.97 -3.31 116.42 113.00 1uf0 h ASP 33 Ca 0.33 -0.90 0.01 0.00 0.02 0.00 0.00 57.03 56.48 1uf0 h ASP 33 Cb 0.46 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1uf0 h ASP 33 CO -0.37 1.52 0.27 0.03 -1.72 0.00 0.00 179.24 178.97 1uf0 h ARG 34 N -0.07 0.54 -2.48 3.56 -0.00 -1.76 -3.43 114.38 110.73 1uf0 h ARG 34 Ca -0.18 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.19 1uf0 h ARG 34 Cb 1.82 -0.12 -0.26 0.00 0.00 0.00 0.00 29.97 31.41 1uf0 h ARG 34 CO 0.20 0.36 -0.30 -0.06 0.00 0.00 0.00 179.97 180.17 1uf0 s PHE 35 N -6.16 -0.79 -0.15 3.04 0.08 0.20 -4.88 117.98 109.32 1uf0 s PHE 35 Ca -0.13 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.50 1uf0 s PHE 35 Cb 0.11 0.35 -0.23 0.00 -0.57 0.00 0.00 43.02 42.68 1uf0 s PHE 35 CO 0.73 -0.45 0.22 0.54 -0.10 0.00 0.00 175.22 176.16 1uf0 n ARG 36 N 4.92 0.69 -2.45 0.44 1.74 -1.25 -4.11 116.66 116.64 1uf0 n ARG 36 Ca -0.15 0.20 -0.04 0.00 -0.77 0.00 0.00 57.85 57.09 1uf0 n ARG 36 Cb 0.52 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 1uf0 n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1uf0 n SER 37 N -3.21 0.38 0.05 0.55 7.64 -1.26 -5.05 113.62 112.72 1uf0 n SER 37 Ca -0.33 -1.43 -0.08 0.00 1.01 0.00 0.00 58.87 58.04 1uf0 n SER 37 Cb 1.05 0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 64.40 1uf0 n SER 37 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1uf0 h PHE 38 N 1.17 0.05 -0.33 1.43 3.57 -1.95 -3.24 116.94 117.64 1uf0 h PHE 38 Ca -0.05 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1uf0 h PHE 38 Cb 0.24 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1uf0 h PHE 38 CO 0.00 1.03 0.19 0.93 -2.23 0.00 0.00 178.31 178.23 1uf0 h GLU 39 N 0.01 0.44 0.02 1.11 5.08 -1.98 0.54 114.58 119.79 1uf0 h GLU 39 Ca -0.06 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1uf0 h GLU 39 Cb 1.82 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1uf0 h GLU 39 CO 0.13 0.31 -0.94 0.00 -1.00 0.00 0.00 179.01 177.51 1uf0 h ALA 40 N 1.76 0.45 0.03 3.43 0.00 -1.98 -2.74 119.26 120.20 1uf0 h ALA 40 Ca 0.12 -0.78 -0.24 0.00 0.00 0.00 0.00 54.91 54.01 1uf0 h ALA 40 Cb -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1uf0 h ALA 40 CO -0.02 0.98 -1.19 1.25 0.00 0.00 0.00 179.25 180.27 1uf0 h LEU 41 N 0.08 0.09 -0.24 0.00 5.85 -1.38 -3.15 115.31 116.56 1uf0 h LEU 41 Ca -0.05 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 1uf0 h LEU 41 Cb 1.61 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1uf0 h LEU 41 CO 0.14 1.09 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.97 1uf0 h LEU 42 N 0.02 0.67 0.40 2.25 3.38 -0.01 -1.90 115.31 120.12 1uf0 h LEU 42 Ca -0.09 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1uf0 h LEU 42 Cb 1.86 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1uf0 h LEU 42 CO 0.13 1.03 -0.19 0.00 0.09 0.00 0.00 178.44 179.50 1uf0 h ALA 43 N 0.66 -0.53 -0.08 1.53 0.00 -1.60 -1.42 119.26 117.82 1uf0 h ALA 43 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uf0 h ALA 43 Cb 0.86 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1uf0 h ALA 43 CO 0.07 -0.76 0.03 -0.44 0.00 0.00 0.00 179.25 178.15 1uf0 h ASP 44 N -0.62 0.10 0.47 0.00 3.32 -1.62 -1.20 116.42 116.87 1uf0 h ASP 44 Ca -0.05 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1uf0 h ASP 44 Cb 0.46 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1uf0 h ASP 44 CO 0.09 0.10 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.08 1uf0 h LEU 45 N 0.11 0.10 -0.25 1.55 3.38 -1.02 -2.47 115.31 116.72 1uf0 h LEU 45 Ca 0.03 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1uf0 h LEU 45 Cb 0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uf0 h LEU 45 CO -0.00 0.64 -0.87 0.74 0.09 0.00 0.00 178.44 179.04 1uf0 h THR 46 N 0.07 1.40 0.00 0.22 2.02 -0.13 -0.62 112.91 115.88 1uf0 h THR 46 Ca -0.00 -2.37 -0.10 0.00 0.77 0.00 0.00 66.41 64.71 1uf0 h THR 46 Cb 1.01 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1uf0 h THR 46 CO 0.08 0.71 -0.49 -0.09 0.37 0.00 0.00 175.52 176.10 1uf0 h ARG 47 N 0.24 0.00 0.00 6.66 2.43 -1.32 -3.04 114.38 119.34 1uf0 h ARG 47 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1uf0 h ARG 47 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1uf0 h ARG 47 CO 0.15 0.49 0.00 0.25 -1.51 0.00 0.00 179.97 179.35 1uf0 n THR 48 N -3.60 0.00 0.00 0.20 -2.24 -0.94 -4.79 114.28 102.91 1uf0 n THR 48 Ca -0.00 0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1uf0 n THR 48 Cb 0.57 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.97 0.00 -4.68 3.22 4.77 -0.24 -4.65 117.00 113.44 1uf0 n LEU 49 Ca 0.00 0.79 -0.45 0.00 -0.03 0.00 0.00 56.01 56.32 1uf0 n LEU 49 Cb 0.00 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1uf0 n LEU 49 CO 0.00 -0.29 1.20 -0.24 -1.33 0.00 0.00 177.39 176.73 1uf0 n SER 50 N -1.44 3.24 -1.53 -1.43 2.88 -1.15 -4.89 113.62 109.30 1uf0 n SER 50 Ca 0.00 1.09 0.04 0.00 -1.33 0.00 0.00 58.87 58.67 1uf0 n SER 50 Cb 0.00 -1.46 0.04 0.00 -0.75 0.00 0.00 64.21 62.04 1uf0 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1uf0 n ASP 51 N 3.23 1.12 -3.58 -3.46 -0.08 -1.26 -4.35 116.55 108.17 1uf0 n ASP 51 Ca 0.15 -2.16 -0.23 0.00 -1.51 0.00 0.00 54.79 51.04 1uf0 n ASP 51 Cb 0.31 -0.33 0.08 0.00 2.34 0.00 0.00 41.12 43.52 1uf0 n ASP 51 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1uf0 n ASN 52 N 0.29 -5.98 0.05 1.67 4.05 -1.26 -4.88 115.26 109.19 1uf0 n ASN 52 Ca 0.07 -0.55 0.00 0.00 0.45 0.00 0.00 54.58 54.56 1uf0 n ASN 52 Cb 1.09 -5.04 0.00 0.00 1.23 0.00 0.00 39.78 37.06 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1uf0 n VAL 53 N -4.93 0.46 -0.07 3.44 0.31 -1.26 -4.93 118.33 111.35 1uf0 n VAL 53 Ca -0.02 0.15 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 1uf0 n VAL 53 Cb 0.57 -1.20 -0.05 0.00 -0.91 0.00 0.00 33.84 32.25 1uf0 n VAL 53 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uf0 n ASN 54 N -3.20 1.24 -4.18 4.52 3.02 -1.26 -4.84 115.26 110.55 1uf0 n ASN 54 Ca 0.00 0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 54.37 1uf0 n ASN 54 Cb 0.15 -0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 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 -7.02 5.82 0.26 3.41 1.43 -1.26 -4.87 118.68 116.45 1uf0 s LEU 55 Ca -0.22 -3.61 0.05 0.00 -1.03 0.00 0.00 54.13 49.33 1uf0 s LEU 55 Cb 0.07 -2.01 0.33 0.00 0.03 0.00 0.00 46.19 44.62 1uf0 s LEU 55 CO 0.28 -0.24 1.62 1.55 0.23 0.00 0.00 176.35 179.79 1uf0 h PRO 56 N 6.32 0.26 -0.11 1.29 0.13 -1.91 -3.03 132.00 134.95 1uf0 h PRO 56 Ca 0.15 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1uf0 h PRO 56 Cb 0.85 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1uf0 h PRO 56 CO 0.89 0.71 -0.29 1.96 -0.23 0.00 0.00 178.00 181.04 1uf0 h GLN 57 N 0.20 0.20 0.00 0.86 7.50 -1.98 -3.47 115.11 118.42 1uf0 h GLN 57 Ca 0.01 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1uf0 h GLN 57 Cb 0.97 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.49 1uf0 h GLN 57 CO 0.08 0.48 0.00 0.41 -1.50 0.00 0.00 178.83 178.30 1uf0 n GLY 58 N -0.51 2.47 3.77 3.46 0.00 -1.14 -5.01 105.19 108.22 1uf0 n GLY 58 Ca -0.01 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.69 2.01 0.35 1.61 0.11 -1.26 -4.46 120.40 116.06 1uf0 s VAL 59 Ca 0.00 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1uf0 s VAL 59 Cb 0.00 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1uf0 s VAL 59 CO 0.00 0.00 0.00 0.54 -3.33 0.00 0.00 175.10 172.31 1uf0 n ARG 60 N -0.04 0.00 -3.70 1.54 5.12 -0.93 -4.96 116.66 113.69 1uf0 n ARG 60 Ca 0.04 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.58 1uf0 n ARG 60 Cb 0.41 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.59 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1uf0 s THR 61 N -2.00 4.40 -0.44 0.55 2.01 -0.99 -5.00 115.64 114.18 1uf0 s THR 61 Ca 0.00 -0.41 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 1uf0 s THR 61 Cb 0.00 -3.20 0.06 0.00 0.01 0.00 0.00 72.50 69.37 1uf0 s THR 61 CO 0.00 0.14 0.32 -0.63 -0.69 0.00 0.00 174.62 173.76 1uf0 s ILE 62 N 1.59 4.86 0.42 1.82 1.01 -1.26 -1.49 121.20 128.15 1uf0 s ILE 62 Ca 0.05 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1uf0 s ILE 62 Cb -0.17 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1uf0 s ILE 62 CO 0.05 -0.48 0.63 -0.31 0.00 0.00 0.00 174.94 174.83 1uf0 s TYR 63 N 1.57 3.27 1.00 3.97 2.02 -0.66 -0.40 117.35 128.14 1uf0 s TYR 63 Ca 0.04 0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.84 1uf0 s TYR 63 Cb -0.23 -2.20 0.19 0.00 -0.40 0.00 0.00 41.96 39.33 1uf0 s TYR 63 CO 0.06 -0.23 1.09 0.95 -1.57 0.00 0.00 175.55 175.85 1uf0 s THR 64 N -2.48 2.16 0.22 -0.71 -4.23 -1.06 -0.49 115.64 109.06 1uf0 s THR 64 Ca 0.46 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1uf0 s THR 64 Cb -0.10 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.44 1uf0 s THR 64 CO 0.37 -0.07 1.84 -0.29 -0.54 0.00 0.00 174.62 175.93 1uf0 h ILE 65 N -1.93 1.25 0.04 2.99 6.09 -1.80 -2.73 117.51 121.43 1uf0 h ILE 65 Ca -0.54 -0.66 -0.22 0.00 -1.37 0.00 0.00 64.86 62.06 1uf0 h ILE 65 Cb 1.32 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.72 1uf0 h ILE 65 CO 0.56 0.29 -1.03 0.44 -3.07 0.00 0.00 178.15 175.34 1uf0 h ASP 66 N 1.20 0.21 -0.77 2.19 5.19 -1.92 -3.47 116.42 119.04 1uf0 h ASP 66 Ca 0.30 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1uf0 h ASP 66 Cb 0.06 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1uf0 h ASP 66 CO -0.04 1.10 0.00 0.61 -3.12 0.00 0.00 179.24 177.79 1uf0 n GLY 67 N 1.23 0.71 0.06 2.75 0.00 -1.03 -4.99 105.19 103.91 1uf0 n GLY 67 Ca -0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.39 2.52 -4.65 0.99 4.77 -1.26 -4.97 117.00 114.02 1uf0 n LEU 68 Ca 0.00 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1uf0 n LEU 68 Cb 0.25 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1uf0 n LEU 68 CO 0.00 0.63 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.89 1uf0 s LYS 69 N -2.24 2.02 -0.02 3.23 1.02 -1.26 -5.04 119.74 117.45 1uf0 s LYS 69 Ca -0.14 -2.21 0.04 0.00 0.02 0.00 0.00 55.97 53.67 1uf0 s LYS 69 Cb 0.04 -1.39 -0.01 0.00 -0.52 0.00 0.00 37.83 35.95 1uf0 s LYS 69 CO 0.29 -0.24 -0.13 -1.59 -0.92 0.00 0.00 175.35 172.76 1uf0 s LYS 70 N -3.80 1.16 -0.24 1.68 -2.85 -1.26 -2.58 119.74 111.86 1uf0 s LYS 70 Ca 0.22 -0.47 -0.25 0.00 -1.00 0.00 0.00 55.97 54.47 1uf0 s LYS 70 Cb 0.06 -1.10 -0.01 0.00 -2.06 0.00 0.00 37.83 34.72 1uf0 s LYS 70 CO 0.11 0.26 0.83 0.42 0.10 0.00 0.00 175.35 177.07 1uf0 s ILE 71 N -0.19 4.84 -0.11 3.79 -1.09 0.47 -4.89 121.20 124.01 1uf0 s ILE 71 Ca 0.03 1.57 0.07 0.00 -2.23 0.00 0.00 60.65 60.09 1uf0 s ILE 71 Cb -0.07 -4.12 -0.12 0.00 -1.58 0.00 0.00 42.46 36.58 1uf0 s ILE 71 CO -0.00 -0.07 -0.01 -0.24 -1.23 0.00 0.00 174.94 173.39 1uf0 n SER 72 N 5.99 2.56 -4.35 3.58 2.88 -1.26 -4.32 113.62 118.69 1uf0 n SER 72 Ca 0.06 -0.02 -0.18 0.00 -1.33 0.00 0.00 58.87 57.40 1uf0 n SER 72 Cb 0.48 0.49 -0.10 0.00 -0.75 0.00 0.00 64.21 64.32 1uf0 n SER 72 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uf0 s SER 73 N -4.57 2.12 0.28 -3.46 0.01 -1.26 -5.00 113.70 101.82 1uf0 s SER 73 Ca -0.09 -1.18 0.04 0.00 1.31 0.00 0.00 55.95 56.03 1uf0 s SER 73 Cb 0.04 -0.05 0.40 0.00 0.21 0.00 0.00 66.02 66.62 1uf0 s SER 73 CO 0.40 -0.43 1.68 -0.07 0.41 0.00 0.00 173.24 175.23 1uf0 h LEU 74 N 2.45 0.35 -1.58 2.44 3.38 -1.96 -2.80 115.31 117.60 1uf0 h LEU 74 Ca -0.39 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1uf0 h LEU 74 Cb 1.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1uf0 h LEU 74 CO 0.65 0.71 -0.08 0.44 0.09 0.00 0.00 178.44 180.25 1uf0 h ASP 75 N 0.29 0.15 -0.15 -0.43 3.32 -2.01 -2.00 116.42 115.59 1uf0 h ASP 75 Ca 0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1uf0 h ASP 75 Cb 0.80 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1uf0 h ASP 75 CO 0.06 0.26 0.10 1.56 -1.72 0.00 0.00 179.24 179.51 1uf0 h GLN 76 N 0.16 0.21 -6.95 3.56 1.08 -1.91 -3.43 115.11 107.84 1uf0 h GLN 76 Ca 0.04 -0.01 -0.53 0.00 -1.45 0.00 0.00 58.65 56.69 1uf0 h GLN 76 Cb 0.26 -0.05 0.09 0.00 -0.05 0.00 0.00 27.48 27.73 1uf0 h GLN 76 CO 0.01 0.15 0.66 -0.51 -0.95 0.00 0.00 178.83 178.19 1uf0 s LEU 77 N -9.22 4.21 0.03 1.46 1.43 -0.75 -5.02 118.68 110.82 1uf0 s LEU 77 Ca -0.06 2.78 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1uf0 s LEU 77 Cb 0.17 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1uf0 s LEU 77 CO 0.70 -0.92 -0.05 -0.69 0.23 0.00 0.00 176.35 175.61 1uf0 s VAL 78 N -1.22 3.72 -0.17 -1.59 1.01 -1.26 -5.06 120.40 115.82 1uf0 s VAL 78 Ca 0.57 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1uf0 s VAL 78 Cb -0.41 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1uf0 s VAL 78 CO 0.53 0.32 1.95 -0.70 0.00 0.00 0.00 175.10 177.19 1uf0 s GLU 79 N -1.66 3.57 0.00 2.72 2.12 -1.26 -3.45 118.70 120.74 1uf0 s GLU 79 Ca 0.19 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1uf0 s GLU 79 Cb -0.11 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.07 1uf0 s GLU 79 CO 0.10 -1.59 0.00 0.41 -0.54 0.00 0.00 175.26 173.64 1uf0 n GLY 80 N 5.14 0.41 3.43 -1.50 0.00 0.27 -4.88 105.19 108.05 1uf0 n GLY 80 Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.78 1.48 0.07 1.61 0.41 -1.16 -5.04 118.70 113.29 1uf0 s GLU 81 Ca 0.00 -1.48 0.07 0.00 -0.41 0.00 0.00 54.97 53.16 1uf0 s GLU 81 Cb 0.00 0.39 -0.03 0.00 -1.78 0.00 0.00 34.13 32.71 1uf0 s GLU 81 CO 0.00 -0.57 -0.20 -1.12 -0.49 0.00 0.00 175.26 172.88 1uf0 s SER 82 N -3.11 2.39 -0.01 -0.19 0.01 -1.26 -0.84 113.70 110.69 1uf0 s SER 82 Ca 0.30 -0.59 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 1uf0 s SER 82 Cb 0.02 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1uf0 s SER 82 CO 0.12 0.09 0.24 -0.31 0.41 0.00 0.00 173.24 173.79 1uf0 s TYR 83 N -0.99 -0.10 -0.17 2.43 1.51 0.08 -2.35 117.35 117.77 1uf0 s TYR 83 Ca 0.06 0.14 -0.08 0.00 -1.01 0.00 0.00 57.07 56.19 1uf0 s TYR 83 Cb -0.09 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 1uf0 s TYR 83 CO 0.03 -0.33 0.09 0.08 -1.11 0.00 0.00 175.55 174.31 1uf0 s VAL 84 N -1.23 5.05 -0.04 0.71 1.01 0.36 0.55 120.40 126.80 1uf0 s VAL 84 Ca -0.13 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1uf0 s VAL 84 Cb -0.06 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1uf0 s VAL 84 CO 0.03 0.49 0.64 0.00 0.00 0.00 0.00 175.10 176.26 1uf0 s GLY 86 N 0.33 0.98 0.06 0.00 0.00 -0.56 -2.97 107.32 105.16 1uf0 s GLY 86 Ca 0.34 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1uf0 s GLY 86 CO 0.17 -1.26 0.00 -1.26 0.00 0.00 0.00 173.10 170.75 1uf0 n SER 87 N 0.70 0.20 -3.18 1.64 2.88 -1.26 -2.19 113.62 112.40 1uf0 n SER 87 Ca -0.17 0.09 -0.19 0.00 -1.33 0.00 0.00 58.87 57.28 1uf0 n SER 87 Cb 0.57 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 1uf0 n SER 87 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1uf0 n ILE 88 N -2.83 -0.26 -3.55 2.46 2.08 -1.26 -4.86 119.36 111.14 1uf0 n ILE 88 Ca 0.00 -4.45 -0.11 0.00 0.56 0.00 0.00 62.75 58.75 1uf0 n ILE 88 Cb 0.00 -0.53 -0.04 0.00 -0.75 0.00 0.00 39.64 38.31 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1uf0 s GLU 89 N -2.18 0.71 0.55 0.38 -1.05 -1.26 -5.16 118.70 110.68 1uf0 s GLU 89 Ca 0.39 0.04 -0.19 0.00 -0.15 0.00 0.00 54.97 55.06 1uf0 s GLU 89 Cb 0.32 0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 34.28 1uf0 s GLU 89 CO -0.09 -0.25 1.14 -1.25 0.95 0.00 0.00 175.26 175.77 1uf0 s PRO 90 N -1.65 3.33 0.10 -4.83 0.04 -1.26 -4.94 135.00 125.79 1uf0 s PRO 90 Ca -0.01 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 1uf0 s PRO 90 Cb -0.01 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1uf0 s PRO 90 CO -0.00 -0.88 1.88 0.12 0.04 0.00 0.00 177.00 178.16 1uf0 s PHE 91 N -1.75 1.87 -0.28 0.56 2.19 -1.26 -4.93 117.98 114.39 1uf0 s PHE 91 Ca 0.73 -0.17 -0.08 0.00 0.33 0.00 0.00 56.93 57.74 1uf0 s PHE 91 Cb -0.25 -4.21 -0.02 0.00 -1.31 0.00 0.00 43.02 37.24 1uf0 s PHE 91 CO 0.28 -5.12 0.10 0.15 1.83 0.00 0.00 175.22 172.46 1uf0 s LYS 92 N 3.27 3.50 -0.61 10.12 1.02 -1.26 -5.05 119.74 130.73 1uf0 s LYS 92 Ca 0.83 -0.59 -0.28 0.00 0.02 0.00 0.00 55.97 55.96 1uf0 s LYS 92 Cb -0.45 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1uf0 s LYS 92 CO 0.38 -0.29 1.21 0.21 -0.92 0.00 0.00 175.35 175.94 1uf0 s LYS 93 N 1.61 3.45 0.06 1.68 2.20 -1.26 -4.50 119.74 122.98 1uf0 s LYS 93 Ca 0.05 0.15 0.06 0.00 -0.36 0.00 0.00 55.97 55.88 1uf0 s LYS 93 Cb -0.16 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 1uf0 s LYS 93 CO 0.05 -1.76 -0.16 -0.51 -0.36 0.00 0.00 175.35 172.60 1uf0 s LEU 94 N 5.08 2.24 -0.91 5.43 1.43 -1.26 -5.07 118.68 125.62 1uf0 s LEU 94 Ca 0.41 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.70 1uf0 s LEU 94 Cb -0.08 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1uf0 s LEU 94 CO 0.23 0.00 1.81 -0.70 0.23 0.00 0.00 176.35 177.92 1uf0 s GLU 95 N -1.53 2.83 -0.09 1.70 2.56 -1.26 -4.75 118.70 118.16 1uf0 s GLU 95 Ca 0.01 -0.44 -0.15 0.00 0.00 0.00 0.00 54.97 54.39 1uf0 s GLU 95 Cb -0.09 -5.08 -0.28 0.00 2.00 0.00 0.00 34.13 30.68 1uf0 s GLU 95 CO 0.02 -3.03 0.59 1.88 -0.56 0.00 0.00 175.26 174.17 1uf0 h TYR 96 N 11.11 0.50 0.00 5.30 0.05 -1.93 -3.32 116.97 128.68 1uf0 h TYR 96 Ca 0.09 -0.37 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 1uf0 h TYR 96 Cb 1.02 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1uf0 h TYR 96 CO 1.22 1.57 -0.00 1.79 -1.05 0.00 0.00 178.16 181.69 1uf0 h THR 97 N -0.23 0.01 -0.76 -2.88 1.35 -1.86 -2.39 112.91 106.17 1uf0 h THR 97 Ca -0.31 -0.08 0.20 0.00 -0.55 0.00 0.00 66.41 65.68 1uf0 h THR 97 Cb 1.82 1.07 -0.04 0.00 -1.73 0.00 0.00 68.15 69.28 1uf0 h THR 97 CO 0.09 0.00 0.53 0.50 -0.25 0.00 0.00 175.52 176.39 1uf0 h LYS 98 N 0.00 0.11 -0.50 4.72 3.64 -1.96 0.25 116.57 122.84 1uf0 h LYS 98 Ca -0.00 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1uf0 h LYS 98 Cb 0.07 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.74 1uf0 h LYS 98 CO 0.00 0.07 0.11 0.27 -2.27 0.00 0.00 179.45 177.63 1uf0 n ASN 99 N -4.37 3.25 -3.71 4.20 0.23 -0.90 -4.95 115.26 109.02 1uf0 n ASN 99 Ca 0.15 -3.54 -0.12 0.00 -0.53 0.00 0.00 54.58 50.54 1uf0 n ASN 99 Cb 0.75 -0.67 -0.10 0.00 -2.08 0.00 0.00 39.78 37.68 1uf0 n ASN 99 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1uf0 s VAL 100 N -3.15 -0.01 -0.03 3.53 1.01 0.87 -4.90 120.40 117.73 1uf0 s VAL 100 Ca 0.48 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 1uf0 s VAL 100 Cb 0.41 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1uf0 s VAL 100 CO 0.05 0.01 0.37 0.20 0.00 0.00 0.00 175.10 175.73 1uf0 s ASN 101 N 0.60 6.74 -1.23 3.32 0.01 -1.26 -4.77 114.94 118.34 1uf0 s ASN 101 Ca -0.03 0.87 -0.21 0.00 -0.71 0.00 0.00 52.86 52.79 1uf0 s ASN 101 Cb -0.05 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.37 1uf0 s ASN 101 CO -0.04 0.32 1.85 -2.16 -1.51 0.00 0.00 177.10 175.56 1uf0 s PRO 102 N -0.95 3.14 -0.34 -0.60 0.04 -1.26 -4.36 135.00 130.67 1uf0 s PRO 102 Ca 0.22 -1.52 0.05 0.00 0.04 0.00 0.00 61.00 59.79 1uf0 s PRO 102 Cb -0.16 -5.37 0.20 0.00 0.04 0.00 0.00 34.50 29.21 1uf0 s PRO 102 CO 0.12 -3.23 1.18 -1.71 0.04 0.00 0.00 177.00 173.39 1uf0 n ASN 103 N 11.78 -1.43 -0.04 6.66 5.15 -1.26 -5.00 115.26 131.13 1uf0 n ASN 103 Ca 0.46 -1.97 -0.05 0.00 -0.60 0.00 0.00 54.58 52.42 1uf0 n ASN 103 Cb 0.46 0.97 -0.04 0.00 -0.53 0.00 0.00 39.78 40.65 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 -0.56 0.00 -1.83 1.20 4.27 -1.26 -4.68 117.44 114.57 1uf0 n TRP 104 Ca -0.17 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.20 1uf0 n TRP 104 Cb 0.73 -0.32 0.05 0.00 -1.36 0.00 0.00 31.31 30.41 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 -2.65 5.27 0.00 -0.67 2.88 -1.26 -4.63 113.62 112.56 1uf0 n SER 105 Ca -0.14 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.63 1uf0 n SER 105 Cb 0.67 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.79 0.00 -3.45 2.46 0.31 -1.26 -4.80 118.33 110.80 1uf0 n VAL 106 Ca 0.47 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.37 1uf0 n VAL 106 Cb 0.90 -0.67 -0.10 0.00 -0.91 0.00 0.00 33.84 33.07 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 -4.30 6.12 -0.31 4.52 2.47 -1.26 -4.99 114.94 117.18 1uf0 s ASN 107 Ca 0.00 -0.76 0.05 0.00 0.42 0.00 0.00 52.86 52.58 1uf0 s ASN 107 Cb 0.00 -2.17 0.20 0.00 -1.45 0.00 0.00 41.25 37.83 1uf0 s ASN 107 CO 0.00 -0.43 0.62 0.54 -3.72 0.00 0.00 177.10 174.11 1uf0 s VAL 108 N 1.77 -0.96 -0.19 -5.21 0.11 -1.26 -4.95 120.40 109.71 1uf0 s VAL 108 Ca 0.07 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 1uf0 s VAL 108 Cb -0.18 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1uf0 s VAL 108 CO 0.11 0.00 0.22 1.17 -3.33 0.00 0.00 175.10 173.26 1uf0 n LYS 109 N 5.24 -4.36 -2.04 1.54 4.81 -1.26 -4.89 118.16 117.21 1uf0 n LYS 109 Ca 0.06 3.31 -0.41 0.00 -0.87 0.00 0.00 58.31 60.40 1uf0 n LYS 109 Cb 0.55 -4.90 -0.02 0.00 0.02 0.00 0.00 35.03 30.68 1uf0 n LYS 109 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1uf0 s THR 110 N -0.73 2.62 -0.53 3.15 -4.23 -1.26 -4.96 115.64 109.70 1uf0 s THR 110 Ca -0.25 0.58 -0.24 0.00 -1.18 0.00 0.00 61.69 60.60 1uf0 s THR 110 Cb 0.02 -3.37 0.04 0.00 1.34 0.00 0.00 72.50 70.53 1uf0 s THR 110 CO 0.76 0.12 0.89 -0.44 -0.54 0.00 0.00 174.62 175.41 1uf0 s SER 111 N -0.09 6.35 0.30 3.99 0.01 -1.26 -5.03 113.70 117.97 1uf0 s SER 111 Ca 0.54 -0.34 0.10 0.00 1.31 0.00 0.00 55.95 57.56 1uf0 s SER 111 Cb -0.41 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.34 1uf0 s SER 111 CO 0.50 -1.14 -0.14 -0.83 0.41 0.00 0.00 173.24 172.04 1uf0 s GLY 112 N 2.69 1.97 0.27 3.44 0.00 -1.26 -5.04 107.32 109.40 1uf0 s GLY 112 Ca 0.29 -1.95 0.01 0.00 0.00 0.00 0.00 44.72 43.07 1uf0 s GLY 112 CO 0.19 -1.97 1.77 -2.55 0.00 0.00 0.00 173.10 170.55 1uf0 h PRO 113 N 2.19 0.66 -6.15 2.90 0.11 -2.07 -3.41 132.00 126.23 1uf0 h PRO 113 Ca -0.41 -0.04 -0.50 0.00 0.11 0.00 0.00 66.00 65.17 1uf0 h PRO 113 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1uf0 h PRO 113 CO 0.65 0.44 -0.47 0.45 -0.21 0.00 0.00 178.00 178.86 1uf0 s SER 114 N -5.44 6.14 0.20 -2.05 0.15 -1.26 -5.04 113.70 106.40 1uf0 s SER 114 Ca -0.12 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1uf0 s SER 114 Cb 0.22 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1uf0 s SER 114 CO 0.79 -0.02 0.00 -1.20 1.20 0.00 0.00 173.24 174.01 1uf0 n SER 115 N -1.06 0.23 0.00 5.45 7.64 -1.26 -5.08 113.62 119.55 1uf0 n SER 115 Ca -0.08 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1uf0 n SER 115 Cb 0.56 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64