#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 4.18 -4.89 1.61 7.64 -1.26 -5.04 113.62 115.87 1uf0 n SER 2 Ca 0.00 -3.79 -0.22 0.00 1.01 0.00 0.00 58.87 55.86 1uf0 n SER 2 Cb 0.00 -0.54 0.06 0.00 -1.01 0.00 0.00 64.21 62.72 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 -3.00 4.96 0.00 6.43 1.04 -1.26 -4.92 113.70 116.96 1uf0 s SER 3 Ca 0.49 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1uf0 s SER 3 Cb 0.42 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1uf0 s SER 3 CO 0.01 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1uf0 n GLY 4 N -2.56 0.78 3.37 7.32 0.00 -1.26 -5.01 105.19 107.83 1uf0 n GLY 4 Ca 0.10 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.00 -0.39 -0.21 1.61 1.04 -1.26 -5.07 113.70 105.41 1uf0 s SER 5 Ca 0.00 -0.13 0.14 0.00 0.48 0.00 0.00 55.95 56.44 1uf0 s SER 5 Cb 0.00 0.52 0.35 0.00 0.10 0.00 0.00 66.02 66.99 1uf0 s SER 5 CO 0.00 -0.88 1.29 -1.20 0.98 0.00 0.00 173.24 173.43 1uf0 n SER 6 N -0.20 -0.42 0.00 7.02 7.64 -1.26 -5.12 113.62 121.28 1uf0 n SER 6 Ca -0.17 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1uf0 n SER 6 Cb 0.64 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 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 -0.80 4.04 3.18 0.23 0.00 -1.26 -5.13 105.19 105.45 1uf0 n GLY 7 Ca -0.12 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1uf0 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uf0 s LYS 8 N -2.02 2.94 -0.08 1.61 2.20 -1.26 -5.09 119.74 118.04 1uf0 s LYS 8 Ca 0.00 -0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 54.69 1uf0 s LYS 8 Cb 0.00 -2.84 0.05 0.00 -1.51 0.00 0.00 37.83 33.53 1uf0 s LYS 8 CO 0.00 -0.31 0.15 0.21 -0.36 0.00 0.00 175.35 175.04 1uf0 s LYS 9 N 1.32 0.03 0.49 4.03 2.20 -1.26 -5.16 119.74 121.40 1uf0 s LYS 9 Ca 0.02 0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 56.13 1uf0 s LYS 9 Cb -0.15 -0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 35.87 1uf0 s LYS 9 CO -0.07 -0.30 0.78 0.00 -0.36 0.00 0.00 175.35 175.39 1uf0 s ALA 10 N 2.22 3.46 -0.10 3.13 0.00 -1.26 -5.01 121.76 124.19 1uf0 s ALA 10 Ca 0.03 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1uf0 s ALA 10 Cb -0.12 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1uf0 s ALA 10 CO -0.06 -0.45 0.24 0.21 0.00 0.00 0.00 175.76 175.70 1uf0 s LYS 11 N -4.74 3.78 -0.21 0.00 2.20 -0.67 -4.86 119.74 115.24 1uf0 s LYS 11 Ca 0.49 0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 56.03 1uf0 s LYS 11 Cb -0.10 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1uf0 s LYS 11 CO 0.43 0.62 0.15 0.15 -0.36 0.00 0.00 175.35 176.34 1uf0 s LYS 12 N -0.65 4.16 -0.04 4.03 -0.14 -1.26 0.59 119.74 126.43 1uf0 s LYS 12 Ca 0.17 -0.20 -0.02 0.00 -1.36 0.00 0.00 55.97 54.56 1uf0 s LYS 12 Cb -0.13 -3.45 0.03 0.00 -1.68 0.00 0.00 37.83 32.60 1uf0 s LYS 12 CO 0.06 0.23 0.07 0.14 -0.76 0.00 0.00 175.35 175.09 1uf0 s VAL 13 N 0.56 -0.10 -0.24 3.17 -7.23 -0.72 -0.85 120.40 114.99 1uf0 s VAL 13 Ca 0.09 0.30 -0.08 0.00 -1.81 0.00 0.00 61.98 60.48 1uf0 s VAL 13 Cb -0.12 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1uf0 s VAL 13 CO 0.00 0.13 0.10 -0.60 -0.31 0.00 0.00 175.10 174.42 1uf0 s ARG 14 N 1.62 3.80 -0.14 4.82 3.52 -0.16 -0.80 118.95 131.61 1uf0 s ARG 14 Ca -0.03 -0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 1uf0 s ARG 14 Cb -0.12 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1uf0 s ARG 14 CO -0.04 -0.09 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.30 1uf0 s PHE 15 N 1.39 3.12 0.57 5.12 0.08 -0.03 0.12 117.98 128.35 1uf0 s PHE 15 Ca 0.06 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.11 1uf0 s PHE 15 Cb -0.15 -1.93 0.06 0.00 -0.57 0.00 0.00 43.02 40.43 1uf0 s PHE 15 CO 0.05 0.16 0.49 0.71 -0.10 0.00 0.00 175.22 176.53 1uf0 s TYR 16 N -0.02 1.42 -0.27 0.36 2.02 0.58 -2.41 117.35 119.03 1uf0 s TYR 16 Ca 0.03 -0.87 -0.08 0.00 -0.37 0.00 0.00 57.07 55.78 1uf0 s TYR 16 Cb -0.13 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1uf0 s TYR 16 CO 0.02 -0.67 0.09 0.50 -1.57 0.00 0.00 175.55 173.92 1uf0 s ARG 17 N -4.38 3.51 -0.20 -0.62 3.52 -1.26 -1.69 118.95 117.83 1uf0 s ARG 17 Ca 0.37 -0.58 -0.29 0.00 -0.13 0.00 0.00 55.73 55.10 1uf0 s ARG 17 Cb -0.03 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 29.91 1uf0 s ARG 17 CO 0.24 -0.27 2.18 -1.71 -0.81 0.00 0.00 175.30 174.93 1uf0 n ASN 18 N 4.93 3.24 0.00 -2.12 5.15 -1.16 -1.74 115.26 123.56 1uf0 n ASN 18 Ca -0.15 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1uf0 n ASN 18 Cb 0.50 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 1uf0 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uf0 n GLY 19 N 5.68 1.80 3.09 8.20 0.00 -1.26 -4.94 105.19 117.76 1uf0 n GLY 19 Ca 0.30 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.07 -1.02 -0.02 1.61 -1.08 -0.71 -5.02 116.67 108.35 1uf0 s ASP 20 Ca 0.00 0.52 0.08 0.00 -0.52 0.00 0.00 52.55 52.63 1uf0 s ASP 20 Cb 0.00 1.88 -0.24 0.00 -1.46 0.00 0.00 42.92 43.10 1uf0 s ASP 20 CO 0.00 -0.28 0.74 0.08 0.52 0.00 0.00 175.17 176.23 1uf0 h ARG 21 N 8.04 0.05 0.00 4.34 0.11 -1.85 -3.33 114.38 121.75 1uf0 h ARG 21 Ca -0.17 -0.09 -0.00 0.00 0.10 0.00 0.00 59.98 59.82 1uf0 h ARG 21 Cb 1.16 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 1uf0 h ARG 21 CO 0.24 0.70 -0.02 1.88 0.10 0.00 0.00 179.97 182.87 1uf0 h TYR 22 N 0.01 0.00 -2.45 4.08 -1.99 -1.95 -3.43 116.97 111.23 1uf0 h TYR 22 Ca -0.26 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.89 1uf0 h TYR 22 Cb 1.98 0.00 0.07 0.00 2.00 0.00 0.00 36.73 40.78 1uf0 h TYR 22 CO 0.01 0.02 0.71 0.34 -0.00 0.00 0.00 178.16 179.24 1uf0 n PHE 23 N -3.80 2.22 -0.09 4.88 7.35 -1.25 -4.90 117.46 121.86 1uf0 n PHE 23 Ca -0.03 0.35 -0.14 0.00 -0.76 0.00 0.00 57.45 56.87 1uf0 n PHE 23 Cb 0.10 -2.50 -0.04 0.00 0.35 0.00 0.00 39.48 37.39 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 5.11 0.77 0.00 -4.13 1.57 -1.84 -3.47 116.57 114.57 1uf0 h LYS 24 Ca -0.45 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 57.90 1uf0 h LYS 24 Cb 1.26 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1uf0 h LYS 24 CO 0.83 1.06 0.00 0.41 -0.57 0.00 0.00 179.45 181.18 1uf0 n GLY 25 N 0.23 2.63 3.52 3.86 0.00 -1.26 -4.82 105.19 109.35 1uf0 n GLY 25 Ca -0.04 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.17 3.57 0.13 -0.61 2.07 -1.01 -4.97 121.20 119.21 1uf0 s ILE 26 Ca 0.00 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 1uf0 s ILE 26 Cb 0.00 -2.48 -0.04 0.00 0.13 0.00 0.00 42.46 40.07 1uf0 s ILE 26 CO 0.00 0.56 0.27 -0.69 -1.91 0.00 0.00 174.94 173.18 1uf0 s VAL 27 N -0.37 5.34 -0.06 4.00 1.01 -1.26 -0.85 120.40 128.20 1uf0 s VAL 27 Ca 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1uf0 s VAL 27 Cb -0.12 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1uf0 s VAL 27 CO 0.02 -0.05 0.15 -0.31 0.00 0.00 0.00 175.10 174.91 1uf0 s TYR 28 N -1.70 -0.18 -0.47 5.22 2.02 0.02 -4.98 117.35 117.28 1uf0 s TYR 28 Ca 0.35 0.47 -0.18 0.00 -0.37 0.00 0.00 57.07 57.33 1uf0 s TYR 28 Cb -0.11 -0.01 0.05 0.00 -0.40 0.00 0.00 41.96 41.48 1uf0 s TYR 28 CO 0.28 -0.13 0.53 0.00 -1.57 0.00 0.00 175.55 174.67 1uf0 s ALA 29 N 0.68 3.42 -0.43 3.71 0.00 -1.26 -1.76 121.76 126.13 1uf0 s ALA 29 Ca -0.05 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 49.94 1uf0 s ALA 29 Cb -0.07 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1uf0 s ALA 29 CO -0.03 -1.82 1.45 0.42 0.00 0.00 0.00 175.76 175.78 1uf0 s ILE 30 N 2.34 3.84 0.02 0.00 -1.09 0.20 -4.74 121.20 121.76 1uf0 s ILE 30 Ca 0.13 0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 59.38 1uf0 s ILE 30 Cb -0.19 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1uf0 s ILE 30 CO 0.12 -0.79 -0.00 -0.44 -1.23 0.00 0.00 174.94 172.60 1uf0 s SER 31 N 4.27 0.19 0.50 3.58 0.01 -1.26 -1.67 113.70 119.31 1uf0 s SER 31 Ca 0.62 -0.41 0.26 0.00 1.31 0.00 0.00 55.95 57.73 1uf0 s SER 31 Cb -0.14 0.11 1.35 0.00 0.21 0.00 0.00 66.02 67.55 1uf0 s SER 31 CO 0.32 -0.28 1.92 -0.65 0.41 0.00 0.00 173.24 174.95 1uf0 h PRO 32 N 4.73 0.10 0.01 12.44 0.11 -1.94 0.20 132.00 147.65 1uf0 h PRO 32 Ca -0.31 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1uf0 h PRO 32 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uf0 h PRO 32 CO 0.42 0.07 -0.00 -0.44 -0.21 0.00 0.00 178.00 177.83 1uf0 h ASP 33 N 0.11 -0.01 0.84 -2.05 3.32 -1.98 -3.39 116.42 113.27 1uf0 h ASP 33 Ca 0.38 -0.70 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1uf0 h ASP 33 Cb 1.34 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.90 1uf0 h ASP 33 CO -0.05 0.83 -0.40 0.03 -1.72 0.00 0.00 179.24 177.93 1uf0 h ARG 34 N -0.99 -1.09 -6.19 3.56 3.08 -1.75 -3.43 114.38 107.57 1uf0 h ARG 34 Ca -0.00 0.07 -0.69 0.00 0.07 0.00 0.00 59.98 59.43 1uf0 h ARG 34 Cb 0.70 0.25 -0.29 0.00 0.08 0.00 0.00 29.97 30.71 1uf0 h ARG 34 CO 0.00 -0.73 -0.86 -0.06 -1.07 0.00 0.00 179.97 177.25 1uf0 s PHE 35 N -5.43 2.47 -0.08 3.04 0.08 0.65 -4.98 117.98 113.73 1uf0 s PHE 35 Ca -0.16 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.36 1uf0 s PHE 35 Cb 0.02 -1.59 -0.06 0.00 -0.57 0.00 0.00 43.02 40.81 1uf0 s PHE 35 CO 0.49 -0.10 -0.05 0.54 -0.10 0.00 0.00 175.22 176.01 1uf0 n ARG 36 N 2.74 1.02 -4.30 0.44 1.74 -1.26 -3.84 116.66 113.20 1uf0 n ARG 36 Ca -0.17 0.03 -0.16 0.00 -0.77 0.00 0.00 57.85 56.79 1uf0 n ARG 36 Cb 0.52 -1.17 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1uf0 s SER 37 N -4.52 1.81 0.41 0.55 1.04 -1.26 -5.04 113.70 106.68 1uf0 s SER 37 Ca -0.09 -1.13 0.11 0.00 0.48 0.00 0.00 55.95 55.32 1uf0 s SER 37 Cb 0.03 0.00 0.86 0.00 0.10 0.00 0.00 66.02 67.01 1uf0 s SER 37 CO 0.22 -0.44 1.94 0.15 0.98 0.00 0.00 173.24 176.10 1uf0 h PHE 38 N 2.60 0.16 -0.11 5.02 3.57 -1.96 -2.12 116.94 124.11 1uf0 h PHE 38 Ca -0.38 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.05 1uf0 h PHE 38 Cb 1.21 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1uf0 h PHE 38 CO 0.61 0.30 -0.19 0.93 -2.23 0.00 0.00 178.31 177.73 1uf0 h GLU 39 N 0.15 0.17 -0.20 1.11 5.08 -1.96 -2.28 114.58 116.66 1uf0 h GLU 39 Ca 0.03 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1uf0 h GLU 39 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1uf0 h GLU 39 CO 0.02 0.36 -0.46 0.00 -1.00 0.00 0.00 179.01 177.94 1uf0 h ALA 40 N 1.65 0.83 -0.24 3.43 0.00 -1.80 -2.56 119.26 120.57 1uf0 h ALA 40 Ca 0.03 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 1uf0 h ALA 40 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1uf0 h ALA 40 CO 0.03 0.66 -0.38 1.25 0.00 0.00 0.00 179.25 180.80 1uf0 h LEU 41 N 0.41 0.76 -1.49 0.00 5.85 -1.39 -2.88 115.31 116.56 1uf0 h LEU 41 Ca 0.03 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1uf0 h LEU 41 Cb 0.96 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1uf0 h LEU 41 CO 0.09 1.13 -0.15 -0.07 -0.34 0.00 0.00 178.44 179.10 1uf0 h LEU 42 N 0.41 0.14 -0.81 2.25 3.38 -1.40 -0.91 115.31 118.36 1uf0 h LEU 42 Ca 0.02 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1uf0 h LEU 42 Cb 0.97 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1uf0 h LEU 42 CO 0.09 0.31 -0.58 0.00 0.09 0.00 0.00 178.44 178.35 1uf0 h ALA 43 N 1.71 1.01 0.04 1.53 0.00 -1.37 -2.58 119.26 119.60 1uf0 h ALA 43 Ca 0.03 -0.53 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1uf0 h ALA 43 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1uf0 h ALA 43 CO 0.02 0.72 -1.25 -0.44 0.00 0.00 0.00 179.25 178.30 1uf0 h ASP 44 N 0.04 0.13 0.39 0.00 5.19 -1.18 -3.12 116.42 117.86 1uf0 h ASP 44 Ca -0.01 -0.16 -0.12 0.00 -0.62 0.00 0.00 57.03 56.13 1uf0 h ASP 44 Cb 1.03 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 1uf0 h ASP 44 CO 0.08 1.13 -0.50 -0.07 -3.12 0.00 0.00 179.24 176.75 1uf0 h LEU 45 N 0.02 0.14 -0.29 1.55 3.38 -1.12 -2.95 115.31 116.04 1uf0 h LEU 45 Ca -0.12 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.61 1uf0 h LEU 45 Cb 1.89 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 1uf0 h LEU 45 CO 0.14 0.62 -0.85 0.74 0.09 0.00 0.00 178.44 179.17 1uf0 h THR 46 N 0.10 1.61 -0.12 0.22 2.02 -1.54 -0.03 112.91 115.17 1uf0 h THR 46 Ca 0.00 -2.93 -0.08 0.00 0.77 0.00 0.00 66.41 64.17 1uf0 h THR 46 Cb 0.93 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 1uf0 h THR 46 CO 0.07 0.84 -0.29 -0.09 0.37 0.00 0.00 175.52 176.42 1uf0 h ARG 47 N 0.00 0.23 0.00 6.66 2.43 -1.45 -3.34 114.38 118.90 1uf0 h ARG 47 Ca -0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1uf0 h ARG 47 Cb 1.51 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1uf0 h ARG 47 CO 0.11 0.50 0.00 0.25 -1.51 0.00 0.00 179.97 179.32 1uf0 n THR 48 N -4.13 0.00 -1.10 0.20 -2.24 -1.16 -4.75 114.28 101.09 1uf0 n THR 48 Ca -0.01 0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 1uf0 n THR 48 Cb 0.39 -1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 67.38 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 3.63 -3.65 3.22 4.77 -0.03 -4.71 117.00 118.26 1uf0 n LEU 49 Ca 0.00 -2.72 -0.02 0.00 -0.03 0.00 0.00 56.01 53.25 1uf0 n LEU 49 Cb 0.00 -1.06 -0.05 0.00 -2.33 0.00 0.00 43.42 39.98 1uf0 n LEU 49 CO 0.00 -0.65 1.20 -0.55 -1.33 0.00 0.00 177.39 176.05 1uf0 s SER 50 N 5.34 -0.01 0.00 -1.43 0.15 -1.25 -4.54 113.70 111.95 1uf0 s SER 50 Ca 0.60 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1uf0 s SER 50 Cb 0.14 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1uf0 s SER 50 CO 0.15 -0.01 0.00 0.47 1.20 0.00 0.00 173.24 175.05 1uf0 n ASP 51 N 0.98 0.00 0.00 5.45 8.00 -1.24 -4.93 116.55 124.82 1uf0 n ASP 51 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1uf0 n ASP 51 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1uf0 n ASP 51 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uf0 n ASN 52 N -0.82 0.00 0.01 -2.24 3.02 -1.26 -4.74 115.26 109.23 1uf0 n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1uf0 n ASN 52 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1uf0 n VAL 53 N 0.00 0.02 -0.11 2.41 0.31 -1.26 -4.90 118.33 114.81 1uf0 n VAL 53 Ca 0.00 0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 1uf0 n VAL 53 Cb 0.00 -0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 32.07 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 -2.70 2.33 -3.56 4.52 3.02 -1.26 -4.87 115.26 112.74 1uf0 n ASN 54 Ca 0.00 -0.11 -0.29 0.00 -0.03 0.00 0.00 54.58 54.15 1uf0 n ASN 54 Cb 0.12 -0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 38.82 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 -6.26 1.63 0.05 3.41 1.43 -1.26 -5.00 118.68 112.68 1uf0 s LEU 55 Ca -0.29 -2.32 -0.20 0.00 -1.03 0.00 0.00 54.13 50.29 1uf0 s LEU 55 Cb 0.07 -0.64 -0.13 0.00 0.03 0.00 0.00 46.19 45.52 1uf0 s LEU 55 CO 0.49 -0.30 1.42 1.55 0.23 0.00 0.00 176.35 179.74 1uf0 h PRO 56 N 6.96 0.33 -0.01 1.29 0.13 -1.89 -3.21 132.00 135.60 1uf0 h PRO 56 Ca 0.02 -0.14 -0.18 0.00 -0.87 0.00 0.00 66.00 64.84 1uf0 h PRO 56 Cb 0.96 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1uf0 h PRO 56 CO 0.35 0.63 -0.82 1.96 -0.23 0.00 0.00 178.00 179.89 1uf0 h GLN 57 N 0.01 0.16 0.00 0.86 7.50 -1.94 -3.46 115.11 118.24 1uf0 h GLN 57 Ca 0.04 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 59.03 1uf0 h GLN 57 Cb 0.52 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.09 1uf0 h GLN 57 CO 0.02 0.89 0.00 0.41 -1.50 0.00 0.00 178.83 178.65 1uf0 n GLY 58 N 0.75 0.58 3.61 3.46 0.00 -1.21 -5.07 105.19 107.32 1uf0 n GLY 58 Ca -0.03 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.22 3.70 0.00 1.61 0.11 -1.26 -4.50 120.40 118.83 1uf0 s VAL 59 Ca 0.00 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1uf0 s VAL 59 Cb 0.00 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1uf0 s VAL 59 CO 0.00 0.31 0.00 0.54 -3.33 0.00 0.00 175.10 172.62 1uf0 n ARG 60 N 1.28 0.00 -5.13 1.54 1.74 -0.33 -4.92 116.66 110.84 1uf0 n ARG 60 Ca -0.14 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.63 1uf0 n ARG 60 Cb 0.52 -0.11 -0.17 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 -1.77 1.89 -0.25 0.55 2.01 -1.01 -5.00 115.64 112.07 1uf0 s THR 61 Ca 0.00 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1uf0 s THR 61 Cb 0.00 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.91 1uf0 s THR 61 CO 0.00 0.53 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 1uf0 s ILE 62 N 0.09 3.08 0.34 1.82 1.01 -1.26 -0.70 121.20 125.58 1uf0 s ILE 62 Ca -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1uf0 s ILE 62 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1uf0 s ILE 62 CO 0.05 0.24 0.52 -0.31 0.00 0.00 0.00 174.94 175.44 1uf0 s TYR 63 N 1.38 3.42 1.27 3.97 1.51 0.06 0.74 117.35 129.70 1uf0 s TYR 63 Ca 0.02 0.21 -0.20 0.00 -1.01 0.00 0.00 57.07 56.09 1uf0 s TYR 63 Cb -0.16 -1.89 0.31 0.00 -0.11 0.00 0.00 41.96 40.11 1uf0 s TYR 63 CO -0.04 0.11 1.04 0.95 -1.11 0.00 0.00 175.55 176.51 1uf0 s THR 64 N -2.27 1.50 0.40 -0.71 -4.23 -0.54 0.96 115.64 110.75 1uf0 s THR 64 Ca 0.40 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.04 1uf0 s THR 64 Cb -0.10 -2.33 0.14 0.00 1.34 0.00 0.00 72.50 71.55 1uf0 s THR 64 CO 0.34 0.00 1.90 -0.29 -0.54 0.00 0.00 174.62 176.04 1uf0 h ILE 65 N -2.86 1.20 0.02 2.99 2.10 -1.82 -2.86 117.51 116.29 1uf0 h ILE 65 Ca -0.46 -0.96 -0.28 0.00 1.08 0.00 0.00 64.86 64.24 1uf0 h ILE 65 Cb 1.31 1.49 -0.04 0.00 -1.09 0.00 0.00 36.82 38.49 1uf0 h ILE 65 CO 0.34 0.28 -1.57 0.44 -1.08 0.00 0.00 178.15 176.55 1uf0 h ASP 66 N 0.03 0.08 -0.03 2.19 3.32 -1.91 -3.48 116.42 116.62 1uf0 h ASP 66 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1uf0 h ASP 66 Cb 0.49 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1uf0 h ASP 66 CO 0.04 1.12 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 1uf0 n GLY 67 N 1.56 1.48 0.08 2.75 0.00 -1.08 -4.94 105.19 105.04 1uf0 n GLY 67 Ca -0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.01 1.88 -4.84 0.99 4.77 -1.26 -4.91 117.00 113.62 1uf0 n LEU 68 Ca 0.00 0.45 -0.25 0.00 -0.03 0.00 0.00 56.01 56.18 1uf0 n LEU 68 Cb 0.14 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1uf0 n LEU 68 CO 0.00 -0.35 -0.18 -0.75 -1.33 0.00 0.00 177.39 174.78 1uf0 s LYS 69 N -2.65 3.02 -0.10 3.23 2.47 -1.26 -4.98 119.74 119.47 1uf0 s LYS 69 Ca -0.23 -0.87 0.03 0.00 -1.56 0.00 0.00 55.97 53.34 1uf0 s LYS 69 Cb 0.03 -2.69 -0.01 0.00 -1.46 0.00 0.00 37.83 33.71 1uf0 s LYS 69 CO 0.35 0.47 -0.20 -1.59 0.16 0.00 0.00 175.35 174.53 1uf0 s LYS 70 N -3.35 3.08 -0.13 4.03 -2.85 -1.26 -1.47 119.74 117.79 1uf0 s LYS 70 Ca 0.32 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 54.19 1uf0 s LYS 70 Cb -0.10 -2.40 -0.02 0.00 -2.06 0.00 0.00 37.83 33.26 1uf0 s LYS 70 CO 0.25 0.24 1.16 0.42 0.10 0.00 0.00 175.35 177.52 1uf0 s ILE 71 N 0.23 4.41 -0.11 3.79 -1.09 0.23 -4.89 121.20 123.77 1uf0 s ILE 71 Ca -0.13 1.71 0.09 0.00 -2.23 0.00 0.00 60.65 60.09 1uf0 s ILE 71 Cb -0.16 -4.10 -0.13 0.00 -1.58 0.00 0.00 42.46 36.48 1uf0 s ILE 71 CO 0.07 -0.07 0.02 -0.24 -1.23 0.00 0.00 174.94 173.48 1uf0 n SER 72 N 5.79 2.33 -4.42 3.58 2.88 -1.26 -3.98 113.62 118.54 1uf0 n SER 72 Ca 0.12 -0.01 -0.27 0.00 -1.33 0.00 0.00 58.87 57.38 1uf0 n SER 72 Cb 0.46 0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 64.47 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 -4.51 3.16 0.12 -3.46 0.01 -1.26 -4.87 113.70 102.89 1uf0 s SER 73 Ca -0.07 -1.56 0.01 0.00 1.31 0.00 0.00 55.95 55.63 1uf0 s SER 73 Cb 0.04 0.27 -0.16 0.00 0.21 0.00 0.00 66.02 66.37 1uf0 s SER 73 CO 0.44 -0.78 1.26 -0.07 0.41 0.00 0.00 173.24 174.50 1uf0 h LEU 74 N 1.75 0.27 -1.51 2.44 3.38 -1.95 -3.24 115.31 116.45 1uf0 h LEU 74 Ca -0.40 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1uf0 h LEU 74 Cb 1.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1uf0 h LEU 74 CO 0.67 1.15 -0.06 -0.78 0.09 0.00 0.00 178.44 179.51 1uf0 h ASP 75 N 0.07 0.22 0.08 -0.43 1.82 -2.01 -1.98 116.42 114.20 1uf0 h ASP 75 Ca -0.07 -0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1uf0 h ASP 75 Cb 1.75 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.69 1uf0 h ASP 75 CO 0.16 0.32 -0.11 1.56 -1.61 0.00 0.00 179.24 179.57 1uf0 h GLN 76 N 0.24 0.07 -7.07 0.28 1.08 -1.98 -3.43 115.11 104.30 1uf0 h GLN 76 Ca 0.05 -0.01 -0.43 0.00 -1.45 0.00 0.00 58.65 56.81 1uf0 h GLN 76 Cb 0.26 -0.01 0.22 0.00 -0.05 0.00 0.00 27.48 27.90 1uf0 h GLN 76 CO 0.01 0.19 -0.10 1.28 -0.95 0.00 0.00 178.83 179.25 1uf0 n LEU 77 N -4.37 -1.88 -4.13 1.46 4.77 -0.74 -5.06 117.00 107.05 1uf0 n LEU 77 Ca -0.02 -0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 55.60 1uf0 n LEU 77 Cb 0.20 -1.21 -0.10 0.00 -2.33 0.00 0.00 43.42 39.98 1uf0 n LEU 77 CO 0.36 -3.47 -0.38 -0.69 -1.33 0.00 0.00 177.39 171.88 1uf0 s VAL 78 N -2.35 0.50 -0.49 4.08 1.01 -1.26 -5.08 120.40 116.80 1uf0 s VAL 78 Ca 0.68 -1.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 1uf0 s VAL 78 Cb -0.24 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1uf0 s VAL 78 CO 0.65 -0.86 1.12 -0.70 0.00 0.00 0.00 175.10 175.31 1uf0 s GLU 79 N -3.58 3.66 0.00 2.72 2.12 -1.26 -3.90 118.70 118.46 1uf0 s GLU 79 Ca 0.07 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1uf0 s GLU 79 Cb 0.04 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.50 1uf0 s GLU 79 CO -0.06 -1.42 0.00 0.41 -0.54 0.00 0.00 175.26 173.65 1uf0 n GLY 80 N 4.91 0.72 3.22 -1.50 0.00 -0.03 -4.86 105.19 107.65 1uf0 n GLY 80 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.54 1.14 -0.02 1.61 0.41 -1.22 -5.05 118.70 113.02 1uf0 s GLU 81 Ca 0.00 -1.58 0.05 0.00 -0.41 0.00 0.00 54.97 53.04 1uf0 s GLU 81 Cb 0.00 0.03 -0.01 0.00 -1.78 0.00 0.00 34.13 32.37 1uf0 s GLU 81 CO 0.00 -0.27 -0.18 -1.12 -0.49 0.00 0.00 175.26 173.20 1uf0 s SER 82 N -3.16 2.13 0.06 -0.19 0.01 -1.26 -0.99 113.70 110.30 1uf0 s SER 82 Ca 0.31 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.25 1uf0 s SER 82 Cb 0.07 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1uf0 s SER 82 CO 0.07 0.20 -0.06 -0.31 0.41 0.00 0.00 173.24 173.55 1uf0 s TYR 83 N -0.28 0.69 -0.23 2.43 1.51 0.12 -2.53 117.35 119.06 1uf0 s TYR 83 Ca 0.04 -0.75 -0.10 0.00 -1.01 0.00 0.00 57.07 55.25 1uf0 s TYR 83 Cb -0.08 -0.42 -0.05 0.00 -0.11 0.00 0.00 41.96 41.30 1uf0 s TYR 83 CO 0.00 -0.17 0.13 0.08 -1.11 0.00 0.00 175.55 174.49 1uf0 s VAL 84 N -2.64 5.19 0.10 0.71 1.01 0.27 -0.31 120.40 124.73 1uf0 s VAL 84 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1uf0 s VAL 84 Cb -0.01 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1uf0 s VAL 84 CO -0.03 0.38 0.93 0.00 0.00 0.00 0.00 175.10 176.37 1uf0 n GLY 86 N 2.26 3.11 0.96 0.00 0.00 0.12 -2.99 105.19 108.65 1uf0 n GLY 86 Ca 0.01 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1uf0 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uf0 n SER 87 N -2.18 0.00 -0.03 1.61 2.88 -1.26 -1.19 113.62 113.46 1uf0 n SER 87 Ca 0.02 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1uf0 n SER 87 Cb 0.24 0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.72 0.41 -2.02 2.46 -5.35 -1.26 -4.57 119.36 107.31 1uf0 n ILE 88 Ca 0.00 -0.19 -0.37 0.00 -0.27 0.00 0.00 62.75 61.92 1uf0 n ILE 88 Cb 0.00 -0.79 0.02 0.00 -1.74 0.00 0.00 39.64 37.13 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 -2.14 3.23 0.87 6.28 1.03 -1.26 -5.01 118.70 121.70 1uf0 s GLU 89 Ca -0.08 1.92 -0.12 0.00 0.03 0.00 0.00 54.97 56.72 1uf0 s GLU 89 Cb 0.02 -2.14 0.11 0.00 -0.80 0.00 0.00 34.13 31.32 1uf0 s GLU 89 CO 0.19 -1.02 1.09 -1.25 -1.33 0.00 0.00 175.26 172.95 1uf0 s PRO 90 N -3.05 1.46 0.48 -4.83 0.04 -1.26 -4.98 135.00 122.86 1uf0 s PRO 90 Ca 0.72 0.75 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 1uf0 s PRO 90 Cb -0.32 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 1uf0 s PRO 90 CO 0.37 -2.08 1.27 0.12 0.04 0.00 0.00 177.00 176.72 1uf0 s PHE 91 N -3.01 2.65 -0.07 0.56 5.36 -1.26 -5.01 117.98 117.21 1uf0 s PHE 91 Ca 0.63 1.45 0.04 0.00 -0.96 0.00 0.00 56.93 58.08 1uf0 s PHE 91 Cb -0.17 -3.60 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 1uf0 s PHE 91 CO 0.56 -2.15 -0.17 0.15 -1.46 0.00 0.00 175.22 172.15 1uf0 s LYS 92 N -2.66 2.10 -0.56 10.12 1.02 -1.26 -5.10 119.74 123.41 1uf0 s LYS 92 Ca 0.65 -0.62 -0.23 0.00 0.02 0.00 0.00 55.97 55.79 1uf0 s LYS 92 Cb -0.35 -1.71 0.05 0.00 -0.52 0.00 0.00 37.83 35.29 1uf0 s LYS 92 CO 0.43 0.16 0.91 0.21 -0.92 0.00 0.00 175.35 176.13 1uf0 s LYS 93 N 0.33 3.28 0.19 1.68 2.36 -1.26 -4.82 119.74 121.50 1uf0 s LYS 93 Ca -0.12 -0.41 0.03 0.00 -2.55 0.00 0.00 55.97 52.93 1uf0 s LYS 93 Cb -0.15 -4.08 -0.05 0.00 -1.05 0.00 0.00 37.83 32.50 1uf0 s LYS 93 CO 0.05 -1.50 -0.02 -0.51 1.55 0.00 0.00 175.35 174.92 1uf0 s LEU 94 N 3.81 2.23 -1.00 5.43 1.43 -1.26 -5.08 118.68 124.23 1uf0 s LEU 94 Ca 0.28 -1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.00 1uf0 s LEU 94 Cb -0.14 -0.21 0.07 0.00 0.03 0.00 0.00 46.19 45.95 1uf0 s LEU 94 CO 0.17 -0.50 1.37 -1.61 0.23 0.00 0.00 176.35 176.01 1uf0 s GLU 95 N -3.86 3.61 -0.13 1.70 2.02 -1.26 -4.80 118.70 115.98 1uf0 s GLU 95 Ca 0.24 -1.33 -0.08 0.00 0.02 0.00 0.00 54.97 53.82 1uf0 s GLU 95 Cb 0.05 -5.24 -0.05 0.00 0.10 0.00 0.00 34.13 28.99 1uf0 s GLU 95 CO 0.05 -2.09 0.04 1.88 0.02 0.00 0.00 175.26 175.17 1uf0 h TYR 96 N 9.45 0.00 -0.26 1.61 0.05 -1.93 -3.36 116.97 122.54 1uf0 h TYR 96 Ca 0.20 0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.05 1uf0 h TYR 96 Cb 1.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1uf0 h TYR 96 CO 1.25 0.23 0.22 1.79 -1.05 0.00 0.00 178.16 180.60 1uf0 h THR 97 N -1.00 0.65 -0.21 -2.88 1.35 -1.93 -0.37 112.91 108.52 1uf0 h THR 97 Ca -0.03 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.89 1uf0 h THR 97 Cb 0.38 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1uf0 h THR 97 CO -0.02 0.00 0.15 0.50 -0.25 0.00 0.00 175.52 175.90 1uf0 h LYS 98 N 0.00 0.01 -0.53 4.72 3.64 -1.95 0.78 116.57 123.24 1uf0 h LYS 98 Ca 0.12 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.20 1uf0 h LYS 98 Cb 0.56 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.20 1uf0 h LYS 98 CO -0.00 0.01 0.04 0.09 -2.27 0.00 0.00 179.45 177.32 1uf0 n ASN 99 N -4.48 3.20 0.08 4.20 3.02 -0.15 -4.67 115.26 116.46 1uf0 n ASN 99 Ca 0.02 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1uf0 n ASN 99 Cb 0.28 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.09 0.00 -1.43 2.41 0.31 -0.39 -4.72 118.33 113.42 1uf0 n VAL 100 Ca 0.41 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.80 1uf0 n VAL 100 Cb 1.11 -0.21 -0.03 0.00 -0.91 0.00 0.00 33.84 33.80 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 -2.86 -7.72 -4.68 4.52 4.13 0.26 -4.75 115.26 104.15 1uf0 n ASN 101 Ca 0.00 1.62 -0.42 0.00 1.68 0.00 0.00 54.58 57.46 1uf0 n ASN 101 Cb 0.00 -4.70 -0.03 0.00 -1.54 0.00 0.00 39.78 33.52 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1uf0 s PRO 102 N -4.92 4.25 0.00 3.52 0.04 -1.26 -4.51 135.00 132.11 1uf0 s PRO 102 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1uf0 s PRO 102 Cb 0.00 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1uf0 s PRO 102 CO 0.00 -0.65 0.00 -1.71 0.04 0.00 0.00 177.00 174.68 1uf0 n ASN 103 N 5.70 0.00 -0.16 6.66 5.15 -1.26 -4.77 115.26 126.58 1uf0 n ASN 103 Ca 0.14 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.05 1uf0 n ASN 103 Cb 0.43 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.69 1uf0 n ASN 103 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1uf0 h TRP 104 N 0.00 0.63 -0.93 1.20 5.08 -1.92 0.71 115.95 120.72 1uf0 h TRP 104 Ca 0.00 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.40 1uf0 h TRP 104 Cb 0.00 -0.21 -0.29 0.00 -3.00 0.00 0.00 29.16 25.66 1uf0 h TRP 104 CO 0.00 0.42 0.60 0.45 -1.28 0.00 0.00 178.44 178.63 1uf0 n SER 105 N -4.72 5.70 0.13 0.11 2.88 -1.26 -4.66 113.62 111.80 1uf0 n SER 105 Ca 0.02 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 1uf0 n SER 105 Cb 0.04 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1uf0 n SER 105 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1uf0 n VAL 106 N -1.00 0.00 0.00 2.46 0.24 -1.02 -4.93 118.33 114.08 1uf0 n VAL 106 Ca 0.58 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.88 1uf0 n VAL 106 Cb 1.06 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1uf0 n ASN 107 N -3.03 0.00 -3.78 -1.34 3.02 0.24 -4.47 115.26 105.91 1uf0 n ASN 107 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1uf0 n ASN 107 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 1uf0 n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uf0 s VAL 108 N 0.00 -0.02 0.00 2.41 1.01 -1.26 -4.96 120.40 117.58 1uf0 s VAL 108 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1uf0 s VAL 108 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1uf0 s VAL 108 CO 0.00 0.03 0.00 1.17 0.00 0.00 0.00 175.10 176.30 1uf0 n LYS 109 N 3.53 0.00 -3.13 2.72 3.00 -1.26 -5.03 118.16 117.99 1uf0 n LYS 109 Ca -0.19 0.41 -0.14 0.00 -0.00 0.00 0.00 58.31 58.40 1uf0 n LYS 109 Cb 0.56 -0.91 0.01 0.00 0.00 0.00 0.00 35.03 34.69 1uf0 n LYS 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1uf0 n THR 110 N -2.07 -6.45 -4.10 3.15 -1.04 -1.26 -5.03 114.28 97.48 1uf0 n THR 110 Ca 0.00 0.71 -0.08 0.00 -2.04 0.00 0.00 64.05 62.65 1uf0 n THR 110 Cb 0.00 -4.83 -0.10 0.00 -1.82 0.00 0.00 70.33 63.58 1uf0 n THR 110 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1uf0 s SER 111 N -1.61 0.51 0.31 8.00 0.15 -1.26 -5.04 113.70 114.78 1uf0 s SER 111 Ca 0.18 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1uf0 s SER 111 Cb -0.03 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1uf0 s SER 111 CO 0.59 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1uf0 n GLY 112 N 0.07 -0.07 0.17 9.45 0.00 -1.26 -3.20 105.19 110.36 1uf0 n GLY 112 Ca -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1uf0 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uf0 h PRO 113 N 0.00 0.06 0.00 1.61 0.13 -1.99 -3.45 132.00 128.36 1uf0 h PRO 113 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1uf0 h PRO 113 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uf0 h PRO 113 CO 0.00 0.50 0.00 0.43 -0.23 0.00 0.00 178.00 178.70 1uf0 n SER 114 N -4.00 -3.27 -3.72 1.44 7.64 -1.24 -5.13 113.62 105.34 1uf0 n SER 114 Ca -0.02 0.77 -0.13 0.00 1.01 0.00 0.00 58.87 60.51 1uf0 n SER 114 Cb 0.48 3.10 -0.13 0.00 -1.01 0.00 0.00 64.21 66.66 1uf0 n SER 114 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uf0 s SER 115 N -2.42 -0.17 0.00 6.43 0.15 -1.19 -4.06 113.70 112.43 1uf0 s SER 115 Ca 0.00 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1uf0 s SER 115 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1uf0 s SER 115 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87