#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 1.98 -3.35 1.61 2.88 -1.26 -4.91 113.62 110.57 1uf0 n SER 2 Ca 0.00 0.05 -0.14 0.00 -1.33 0.00 0.00 58.87 57.45 1uf0 n SER 2 Cb 0.00 -0.58 -0.07 0.00 -0.75 0.00 0.00 64.21 62.81 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uf0 s SER 3 N -6.89 1.01 -0.22 -3.46 1.04 -1.26 -5.12 113.70 98.79 1uf0 s SER 3 Ca -0.36 -1.06 -0.03 0.00 0.48 0.00 0.00 55.95 54.98 1uf0 s SER 3 Cb 0.11 0.73 -0.00 0.00 0.10 0.00 0.00 66.02 66.96 1uf0 s SER 3 CO 0.57 -0.31 -0.06 -0.83 0.98 0.00 0.00 173.24 173.58 1uf0 s GLY 4 N 1.95 1.58 0.56 7.32 0.00 -1.26 -5.11 107.32 112.37 1uf0 s GLY 4 Ca 0.13 -1.18 -0.14 0.00 0.00 0.00 0.00 44.72 43.53 1uf0 s GLY 4 CO -0.18 0.41 1.00 -0.56 0.00 0.00 0.00 173.10 173.78 1uf0 s SER 5 N 1.45 6.43 0.00 1.64 0.01 -1.26 -4.52 113.70 117.46 1uf0 s SER 5 Ca 0.06 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1uf0 s SER 5 Cb -0.14 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1uf0 s SER 5 CO -0.05 -0.72 0.00 -0.24 0.41 0.00 0.00 173.24 172.64 1uf0 n SER 6 N -2.15 0.00 0.00 2.44 2.88 -1.26 -4.44 113.62 111.09 1uf0 n SER 6 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1uf0 n SER 6 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.76 1.45 0.46 0.00 -1.26 -3.85 105.19 102.76 1uf0 n GLY 7 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -3.54 -2.71 1.61 0.00 -1.26 -4.97 118.16 107.29 1uf0 n LYS 8 Ca 0.00 2.84 -0.01 0.00 0.00 0.00 0.00 58.31 61.14 1uf0 n LYS 8 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 35.03 31.17 1uf0 n LYS 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1uf0 n LYS 9 N -3.71 -3.25 -3.17 1.64 4.81 -1.26 -4.94 118.16 108.28 1uf0 n LYS 9 Ca -0.06 2.64 -0.40 0.00 -0.87 0.00 0.00 58.31 59.62 1uf0 n LYS 9 Cb 0.60 -5.34 -0.06 0.00 0.02 0.00 0.00 35.03 30.25 1uf0 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uf0 s ALA 10 N -1.75 3.55 -0.55 3.14 0.00 -1.26 -4.86 121.76 120.03 1uf0 s ALA 10 Ca 0.04 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.38 1uf0 s ALA 10 Cb -0.01 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1uf0 s ALA 10 CO 0.76 -0.55 1.83 0.15 0.00 0.00 0.00 175.76 177.96 1uf0 s LYS 11 N 1.88 2.81 -0.16 0.00 1.02 0.18 -4.74 119.74 120.72 1uf0 s LYS 11 Ca 0.27 0.79 -0.29 0.00 0.02 0.00 0.00 55.97 56.75 1uf0 s LYS 11 Cb -0.16 -4.33 -0.02 0.00 -0.52 0.00 0.00 37.83 32.80 1uf0 s LYS 11 CO 0.10 -2.51 1.32 0.15 -0.92 0.00 0.00 175.35 173.49 1uf0 s LYS 12 N 6.68 4.19 -0.03 1.68 -0.14 -1.26 -0.76 119.74 130.10 1uf0 s LYS 12 Ca 0.69 1.69 0.02 0.00 -1.36 0.00 0.00 55.97 57.02 1uf0 s LYS 12 Cb -0.15 -3.81 0.01 0.00 -1.68 0.00 0.00 37.83 32.20 1uf0 s LYS 12 CO 0.24 -0.78 -0.08 0.14 -0.76 0.00 0.00 175.35 174.11 1uf0 s VAL 13 N 3.69 0.72 -0.03 3.17 -7.23 0.77 -1.05 120.40 120.44 1uf0 s VAL 13 Ca 0.58 -0.31 -0.03 0.00 -1.81 0.00 0.00 61.98 60.41 1uf0 s VAL 13 Cb -0.23 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 1uf0 s VAL 13 CO 0.17 0.24 0.15 -0.60 -0.31 0.00 0.00 175.10 174.76 1uf0 s ARG 14 N 0.36 3.36 -0.05 4.82 3.52 -0.40 0.63 118.95 131.19 1uf0 s ARG 14 Ca -0.05 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 1uf0 s ARG 14 Cb -0.10 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1uf0 s ARG 14 CO 0.01 0.69 -0.07 -0.06 -0.81 0.00 0.00 175.30 175.06 1uf0 s PHE 15 N -1.24 0.99 0.41 5.12 0.08 -0.31 -1.11 117.98 121.92 1uf0 s PHE 15 Ca 0.24 -0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.04 1uf0 s PHE 15 Cb -0.12 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 1uf0 s PHE 15 CO 0.15 -0.22 0.27 0.71 -0.10 0.00 0.00 175.22 176.03 1uf0 s TYR 16 N 0.85 2.66 -0.20 0.36 2.02 -0.51 -1.81 117.35 120.72 1uf0 s TYR 16 Ca -0.12 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.90 1uf0 s TYR 16 Cb -0.15 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1uf0 s TYR 16 CO 0.01 0.04 0.33 0.50 -1.57 0.00 0.00 175.55 174.86 1uf0 s ARG 17 N -4.01 4.17 -0.22 -0.62 3.52 -1.26 -0.81 118.95 119.71 1uf0 s ARG 17 Ca 0.44 0.09 -0.28 0.00 -0.13 0.00 0.00 55.73 55.85 1uf0 s ARG 17 Cb 0.01 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1uf0 s ARG 17 CO 0.25 0.04 2.23 1.21 -0.81 0.00 0.00 175.30 178.22 1uf0 s ASN 18 N 0.92 5.42 0.00 -2.12 3.84 -1.20 -1.69 114.94 120.11 1uf0 s ASN 18 Ca 0.16 1.88 0.00 0.00 0.21 0.00 0.00 52.86 55.11 1uf0 s ASN 18 Cb -0.14 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1uf0 s ASN 18 CO 0.06 -1.99 0.00 0.61 -2.79 0.00 0.00 177.10 173.00 1uf0 n GLY 19 N 5.78 1.22 2.68 1.21 0.00 -1.26 -5.00 105.19 109.82 1uf0 n GLY 19 Ca 0.30 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.40 1.31 0.16 1.61 -1.08 -0.68 -4.99 116.67 110.60 1uf0 s ASP 20 Ca 0.00 -1.86 -0.01 0.00 -0.52 0.00 0.00 52.55 50.17 1uf0 s ASP 20 Cb 0.00 0.38 -0.01 0.00 -1.46 0.00 0.00 42.92 41.84 1uf0 s ASP 20 CO 0.00 -0.24 1.38 0.08 0.52 0.00 0.00 175.17 176.90 1uf0 h ARG 21 N 6.77 0.33 -0.04 4.34 0.11 -1.93 -3.14 114.38 120.82 1uf0 h ARG 21 Ca 0.08 -0.32 -0.00 0.00 0.10 0.00 0.00 59.98 59.83 1uf0 h ARG 21 Cb 1.03 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1uf0 h ARG 21 CO 0.21 1.00 0.01 1.88 0.10 0.00 0.00 179.97 183.18 1uf0 h TYR 22 N 0.20 0.06 -3.90 4.08 -1.99 -1.94 -3.43 116.97 110.05 1uf0 h TYR 22 Ca -0.05 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.14 1uf0 h TYR 22 Cb 1.45 -0.02 0.11 0.00 2.00 0.00 0.00 36.73 40.28 1uf0 h TYR 22 CO 0.04 0.05 0.76 0.34 -0.00 0.00 0.00 178.16 179.36 1uf0 n PHE 23 N -4.51 2.97 0.02 4.88 7.35 -1.19 -4.94 117.46 122.04 1uf0 n PHE 23 Ca -0.02 0.45 -0.20 0.00 -0.76 0.00 0.00 57.45 56.92 1uf0 n PHE 23 Cb 0.10 -2.53 -0.14 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 2.91 0.24 0.00 -4.13 1.57 -1.85 -3.48 116.57 111.83 1uf0 h LYS 24 Ca -0.51 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 57.86 1uf0 h LYS 24 Cb 1.24 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1uf0 h LYS 24 CO 0.64 1.20 0.00 0.41 -0.57 0.00 0.00 179.45 181.12 1uf0 n GLY 25 N 1.67 3.46 3.33 3.86 0.00 -1.26 -4.77 105.19 111.47 1uf0 n GLY 25 Ca -0.16 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.21 3.04 0.06 -0.61 2.07 -0.75 -4.94 121.20 117.86 1uf0 s ILE 26 Ca 0.00 -0.64 -0.21 0.00 -1.41 0.00 0.00 60.65 58.39 1uf0 s ILE 26 Cb 0.00 -2.31 -0.06 0.00 0.13 0.00 0.00 42.46 40.22 1uf0 s ILE 26 CO 0.00 0.50 0.61 -0.69 -1.91 0.00 0.00 174.94 173.45 1uf0 s VAL 27 N 0.75 4.75 0.09 4.00 1.01 -1.26 -1.16 120.40 128.57 1uf0 s VAL 27 Ca -0.05 1.30 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1uf0 s VAL 27 Cb -0.15 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1uf0 s VAL 27 CO 0.01 0.50 -0.19 -0.31 0.00 0.00 0.00 175.10 175.12 1uf0 s TYR 28 N -0.80 1.59 -0.48 5.22 1.51 0.20 -4.96 117.35 119.64 1uf0 s TYR 28 Ca 0.31 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1uf0 s TYR 28 Cb -0.20 -0.88 0.13 0.00 -0.11 0.00 0.00 41.96 40.90 1uf0 s TYR 28 CO 0.19 0.15 0.25 0.00 -1.11 0.00 0.00 175.55 175.04 1uf0 s ALA 29 N -1.17 3.26 -0.39 3.71 0.00 -1.26 -0.16 121.76 125.75 1uf0 s ALA 29 Ca 0.04 -2.92 -0.29 0.00 0.00 0.00 0.00 51.96 48.79 1uf0 s ALA 29 Cb -0.10 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1uf0 s ALA 29 CO 0.03 -1.92 1.33 0.42 0.00 0.00 0.00 175.76 175.63 1uf0 s ILE 30 N 0.42 4.02 -0.02 0.00 -1.09 0.06 -4.67 121.20 119.92 1uf0 s ILE 30 Ca 0.13 1.08 -0.14 0.00 -2.23 0.00 0.00 60.65 59.49 1uf0 s ILE 30 Cb -0.22 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.43 1uf0 s ILE 30 CO -0.04 -0.71 0.30 -0.55 -1.23 0.00 0.00 174.94 172.71 1uf0 s SER 31 N 3.35 -0.19 0.55 3.58 0.15 -1.26 -0.65 113.70 119.23 1uf0 s SER 31 Ca 0.58 0.12 0.29 0.00 0.70 0.00 0.00 55.95 57.63 1uf0 s SER 31 Cb -0.13 0.34 1.46 0.00 -1.71 0.00 0.00 66.02 65.97 1uf0 s SER 31 CO 0.30 -0.42 1.93 -0.65 1.20 0.00 0.00 173.24 175.60 1uf0 h PRO 32 N 4.04 0.00 0.03 5.44 0.11 -1.83 0.44 132.00 140.23 1uf0 h PRO 32 Ca -0.29 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.56 1uf0 h PRO 32 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1uf0 h PRO 32 CO 0.39 0.00 -1.34 0.38 -0.21 0.00 0.00 178.00 177.22 1uf0 h ASP 33 N 0.00 0.09 0.00 -2.05 3.04 -1.97 -3.40 116.42 112.13 1uf0 h ASP 33 Ca 0.33 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.99 1uf0 h ASP 33 Cb 1.37 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 1uf0 h ASP 33 CO -0.00 1.10 -0.06 -0.09 -2.04 0.00 0.00 179.24 178.15 1uf0 h ARG 34 N 0.02 0.00 0.00 4.15 9.65 -1.07 -3.49 114.38 123.64 1uf0 h ARG 34 Ca -0.15 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.26 1uf0 h ARG 34 Cb 1.90 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 30.42 1uf0 h ARG 34 CO 0.12 0.00 -0.28 1.19 2.80 0.00 0.00 179.97 183.80 1uf0 n PHE 35 N -3.52 0.03 0.00 2.20 3.01 0.13 -4.95 117.46 114.36 1uf0 n PHE 35 Ca -0.01 -1.83 0.00 0.00 1.01 0.00 0.00 57.45 56.63 1uf0 n PHE 35 Cb 0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1uf0 n PHE 35 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1uf0 n ARG 36 N -1.22 0.00 -4.53 -1.08 3.00 -1.26 -4.08 116.66 107.48 1uf0 n ARG 36 Ca -0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.52 1uf0 n ARG 36 Cb 0.48 -0.05 -0.11 0.00 0.00 0.00 0.00 32.46 32.79 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 -2.26 3.17 0.28 6.15 0.01 -1.26 -4.99 113.70 114.80 1uf0 s SER 37 Ca 0.00 -1.35 0.08 0.00 1.31 0.00 0.00 55.95 55.99 1uf0 s SER 37 Cb 0.00 -0.25 0.38 0.00 0.21 0.00 0.00 66.02 66.36 1uf0 s SER 37 CO 0.00 -0.50 1.63 0.15 0.41 0.00 0.00 173.24 174.94 1uf0 h PHE 38 N 1.96 0.13 -0.18 2.43 3.57 -1.96 -2.94 116.94 119.95 1uf0 h PHE 38 Ca -0.42 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 1uf0 h PHE 38 Cb 1.24 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1uf0 h PHE 38 CO 0.66 0.64 0.11 0.93 -2.23 0.00 0.00 178.31 178.42 1uf0 h GLU 39 N 0.08 0.23 0.17 1.11 5.08 -1.96 0.65 114.58 119.94 1uf0 h GLU 39 Ca -0.00 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1uf0 h GLU 39 Cb 1.01 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.24 1uf0 h GLU 39 CO 0.08 0.16 -1.33 0.00 -1.00 0.00 0.00 179.01 176.92 1uf0 h ALA 40 N 1.88 -0.03 -0.38 3.43 0.00 -1.94 -2.73 119.26 119.50 1uf0 h ALA 40 Ca 0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 54.91 54.02 1uf0 h ALA 40 Cb -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1uf0 h ALA 40 CO -0.01 0.77 -0.21 1.25 0.00 0.00 0.00 179.25 181.05 1uf0 h LEU 41 N 0.17 0.84 -1.02 0.00 5.85 -1.29 -2.71 115.31 117.14 1uf0 h LEU 41 Ca -0.20 -0.42 -0.10 0.00 0.84 0.00 0.00 57.88 58.01 1uf0 h LEU 41 Cb 2.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1uf0 h LEU 41 CO 0.24 1.07 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.92 1uf0 h LEU 42 N 0.61 0.12 -0.80 2.25 3.38 -0.99 -1.14 115.31 118.74 1uf0 h LEU 42 Ca 0.08 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1uf0 h LEU 42 Cb 0.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1uf0 h LEU 42 CO 0.06 0.54 -0.27 0.00 0.09 0.00 0.00 178.44 178.87 1uf0 h ALA 43 N 1.46 0.98 0.14 1.53 0.00 -1.34 -1.71 119.26 120.31 1uf0 h ALA 43 Ca 0.01 -0.37 -0.29 0.00 0.00 0.00 0.00 54.91 54.26 1uf0 h ALA 43 Cb 0.81 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1uf0 h ALA 43 CO 0.06 0.60 -1.36 0.22 0.00 0.00 0.00 179.25 178.77 1uf0 h ASP 44 N 0.52 0.46 0.27 0.00 1.82 -1.29 -3.10 116.42 115.09 1uf0 h ASP 44 Ca 0.07 -0.53 -0.08 0.00 -0.39 0.00 0.00 57.03 56.10 1uf0 h ASP 44 Cb 0.73 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1uf0 h ASP 44 CO 0.06 1.42 -0.33 -0.07 -1.61 0.00 0.00 179.24 178.71 1uf0 h LEU 45 N 0.08 0.10 -0.30 2.28 3.38 -1.14 -2.58 115.31 117.13 1uf0 h LEU 45 Ca -0.18 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 1uf0 h LEU 45 Cb 2.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 1uf0 h LEU 45 CO 0.20 0.44 -0.70 0.74 0.09 0.00 0.00 178.44 179.21 1uf0 h THR 46 N 0.09 1.31 0.00 0.22 2.02 -1.38 -1.07 112.91 114.10 1uf0 h THR 46 Ca 0.01 -2.56 -0.06 0.00 0.77 0.00 0.00 66.41 64.57 1uf0 h THR 46 Cb 0.64 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1uf0 h THR 46 CO 0.05 0.68 -0.31 -0.09 0.37 0.00 0.00 175.52 176.22 1uf0 h ARG 47 N 0.00 0.00 0.00 6.66 2.43 -1.39 -3.26 114.38 118.82 1uf0 h ARG 47 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1uf0 h ARG 47 Cb 1.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1uf0 h ARG 47 CO 0.09 0.31 0.00 0.25 -1.51 0.00 0.00 179.97 179.11 1uf0 n THR 48 N -3.27 0.00 0.00 0.20 -2.24 -1.02 -4.86 114.28 103.09 1uf0 n THR 48 Ca 0.02 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1uf0 n THR 48 Cb 0.57 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.15 0.00 -4.63 3.22 4.77 -0.41 -4.68 117.00 113.11 1uf0 n LEU 49 Ca 0.00 0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 56.51 1uf0 n LEU 49 Cb 0.00 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1uf0 n LEU 49 CO 0.00 -0.44 0.64 -0.24 -1.33 0.00 0.00 177.39 176.03 1uf0 n SER 50 N -2.05 1.45 0.07 -1.43 2.88 -1.17 -4.91 113.62 108.45 1uf0 n SER 50 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1uf0 n SER 50 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 1uf0 n SER 50 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1uf0 n ASP 51 N 0.15 -0.27 0.00 -3.46 5.75 -1.25 -4.56 116.55 112.91 1uf0 n ASP 51 Ca 0.10 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1uf0 n ASP 51 Cb 0.41 0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 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 -2.95 0.00 0.18 -1.12 5.15 -1.26 -4.83 115.26 110.42 1uf0 n ASN 52 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 1uf0 n ASN 52 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1uf0 h VAL 53 N 0.00 0.00 0.00 3.44 2.07 -1.98 -3.23 116.25 116.55 1uf0 h VAL 53 Ca 0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1uf0 h VAL 53 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1uf0 h VAL 53 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 1uf0 n ASN 54 N -4.97 0.00 -3.99 0.57 4.13 -1.26 -4.60 115.26 105.14 1uf0 n ASN 54 Ca -0.06 0.71 -0.31 0.00 1.68 0.00 0.00 54.58 56.59 1uf0 n ASN 54 Cb 0.20 -0.35 -0.13 0.00 -1.54 0.00 0.00 39.78 37.96 1uf0 n ASN 54 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1uf0 s LEU 55 N -3.12 4.57 0.34 3.41 1.43 -1.26 -4.94 118.68 119.11 1uf0 s LEU 55 Ca 0.00 -2.80 0.13 0.00 -1.03 0.00 0.00 54.13 50.44 1uf0 s LEU 55 Cb 0.00 -1.68 0.61 0.00 0.03 0.00 0.00 46.19 45.15 1uf0 s LEU 55 CO 0.00 -0.29 1.74 1.55 0.23 0.00 0.00 176.35 179.58 1uf0 h PRO 56 N 6.84 0.00 0.01 1.29 0.13 -1.81 -3.26 132.00 135.20 1uf0 h PRO 56 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1uf0 h PRO 56 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1uf0 h PRO 56 CO 0.66 0.45 -0.00 1.96 -0.23 0.00 0.00 178.00 180.84 1uf0 h GLN 57 N 0.00 -0.01 0.00 0.86 4.20 -1.92 -3.46 115.11 114.78 1uf0 h GLN 57 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1uf0 h GLN 57 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1uf0 h GLN 57 CO 0.06 0.83 0.00 0.41 -0.67 0.00 0.00 178.83 179.46 1uf0 n GLY 58 N 1.38 3.44 3.74 3.46 0.00 -1.23 -5.08 105.19 110.89 1uf0 n GLY 58 Ca -0.09 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.12 3.97 0.00 1.61 0.11 -1.26 -4.62 120.40 118.09 1uf0 s VAL 59 Ca 0.00 1.67 0.00 0.00 -2.93 0.00 0.00 61.98 60.72 1uf0 s VAL 59 Cb 0.00 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1uf0 s VAL 59 CO 0.00 0.27 0.00 0.54 -3.33 0.00 0.00 175.10 172.58 1uf0 n ARG 60 N 2.52 0.00 -4.14 1.54 1.74 -0.90 -4.91 116.66 112.52 1uf0 n ARG 60 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 1uf0 n ARG 60 Cb 0.47 -0.26 -0.16 0.00 -1.02 0.00 0.00 32.46 31.48 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 -1.83 2.01 -0.39 0.55 2.01 -0.71 -5.02 115.64 112.27 1uf0 s THR 61 Ca 0.00 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1uf0 s THR 61 Cb 0.00 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.73 1uf0 s THR 61 CO 0.00 0.53 0.23 -0.63 -0.69 0.00 0.00 174.62 174.06 1uf0 s ILE 62 N 1.29 4.49 0.57 1.82 1.01 -1.25 -1.39 121.20 127.73 1uf0 s ILE 62 Ca 0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 1uf0 s ILE 62 Cb -0.13 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1uf0 s ILE 62 CO -0.12 -0.32 0.93 -0.31 0.00 0.00 0.00 174.94 175.12 1uf0 s TYR 63 N 1.52 3.57 1.17 3.97 2.02 -0.21 -0.59 117.35 128.81 1uf0 s TYR 63 Ca 0.02 1.06 -0.17 0.00 -0.37 0.00 0.00 57.07 57.61 1uf0 s TYR 63 Cb -0.20 -2.57 0.27 0.00 -0.40 0.00 0.00 41.96 39.06 1uf0 s TYR 63 CO 0.05 -0.55 1.07 0.95 -1.57 0.00 0.00 175.55 175.50 1uf0 s THR 64 N -3.00 1.74 0.18 -0.71 -4.23 -0.94 0.63 115.64 109.30 1uf0 s THR 64 Ca 0.52 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 1uf0 s THR 64 Cb -0.11 -2.38 -0.08 0.00 1.34 0.00 0.00 72.50 71.28 1uf0 s THR 64 CO 0.50 0.00 1.47 -0.29 -0.54 0.00 0.00 174.62 175.76 1uf0 h ILE 65 N -2.50 1.33 0.18 2.99 6.09 -1.87 -3.30 117.51 120.44 1uf0 h ILE 65 Ca -0.51 -1.91 -0.34 0.00 -1.37 0.00 0.00 64.86 60.74 1uf0 h ILE 65 Cb 1.32 1.89 0.01 0.00 0.47 0.00 0.00 36.82 40.51 1uf0 h ILE 65 CO 0.44 0.59 -1.67 0.44 -3.07 0.00 0.00 178.15 174.87 1uf0 h ASP 66 N 0.39 0.59 0.00 2.19 5.19 -1.92 -3.48 116.42 119.38 1uf0 h ASP 66 Ca -0.01 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.47 1uf0 h ASP 66 Cb 1.18 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1uf0 h ASP 66 CO 0.11 1.76 0.00 0.61 -3.12 0.00 0.00 179.24 178.60 1uf0 n GLY 67 N 1.84 0.80 0.38 2.75 0.00 -1.24 -5.06 105.19 104.65 1uf0 n GLY 67 Ca -0.24 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 1.72 -4.38 0.99 4.77 -1.26 -5.01 117.00 113.83 1uf0 n LEU 68 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1uf0 n LEU 68 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1uf0 n LEU 68 CO 0.00 0.26 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.52 1uf0 s LYS 69 N -1.90 1.52 -0.06 3.23 1.02 -1.26 -5.05 119.74 117.23 1uf0 s LYS 69 Ca 0.00 -1.83 0.05 0.00 0.02 0.00 0.00 55.97 54.21 1uf0 s LYS 69 Cb 0.00 -0.54 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 1uf0 s LYS 69 CO 0.00 -0.24 -0.23 -1.59 -0.92 0.00 0.00 175.35 172.37 1uf0 s LYS 70 N -3.97 2.42 -0.46 1.68 -2.85 -1.26 -2.23 119.74 113.08 1uf0 s LYS 70 Ca 0.37 -0.82 -0.27 0.00 -1.00 0.00 0.00 55.97 54.25 1uf0 s LYS 70 Cb 0.08 -2.02 0.03 0.00 -2.06 0.00 0.00 37.83 33.86 1uf0 s LYS 70 CO 0.14 0.31 1.03 0.42 0.10 0.00 0.00 175.35 177.35 1uf0 s ILE 71 N -0.02 4.35 -0.12 3.79 -1.09 0.25 -4.83 121.20 123.53 1uf0 s ILE 71 Ca -0.06 1.02 0.09 0.00 -2.23 0.00 0.00 60.65 59.46 1uf0 s ILE 71 Cb -0.14 -4.51 -0.13 0.00 -1.58 0.00 0.00 42.46 36.10 1uf0 s ILE 71 CO 0.04 -0.90 0.01 -0.24 -1.23 0.00 0.00 174.94 172.63 1uf0 n SER 72 N 7.46 2.32 -4.41 3.58 2.88 -1.26 -3.93 113.62 120.26 1uf0 n SER 72 Ca 0.09 -0.01 -0.23 0.00 -1.33 0.00 0.00 58.87 57.39 1uf0 n SER 72 Cb 0.49 0.61 -0.01 0.00 -0.75 0.00 0.00 64.21 64.55 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 -2.50 2.61 -0.04 -3.46 7.64 -1.26 -4.87 113.62 111.75 1uf0 n SER 73 Ca -0.20 -2.67 -0.11 0.00 1.01 0.00 0.00 58.87 56.91 1uf0 n SER 73 Cb 0.85 0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.93 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 0.98 0.19 -3.43 4.77 -1.26 -4.10 117.00 114.15 1uf0 n LEU 74 Ca -0.04 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 1uf0 n LEU 74 Cb 0.54 0.05 0.36 0.00 -2.33 0.00 0.00 43.42 42.04 1uf0 n LEU 74 CO 0.31 0.48 0.72 -0.78 -1.33 0.00 0.00 177.39 176.79 1uf0 h ASP 75 N 0.01 0.00 -0.87 -1.43 3.58 -1.99 -2.88 116.42 112.84 1uf0 h ASP 75 Ca -0.36 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.14 1uf0 h ASP 75 Cb 2.05 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.05 1uf0 h ASP 75 CO 0.07 0.38 0.57 1.56 -2.88 0.00 0.00 179.24 178.94 1uf0 h GLN 76 N 0.00 1.03 -7.20 0.28 1.08 -1.99 -3.43 115.11 104.87 1uf0 h GLN 76 Ca -0.00 -0.06 -0.48 0.00 -1.45 0.00 0.00 58.65 56.66 1uf0 h GLN 76 Cb 0.69 -0.23 0.21 0.00 -0.05 0.00 0.00 27.48 28.10 1uf0 h GLN 76 CO 0.05 0.68 0.11 -0.51 -0.95 0.00 0.00 178.83 178.21 1uf0 s LEU 77 N -9.96 1.78 0.05 1.46 1.43 -1.09 -5.05 118.68 107.30 1uf0 s LEU 77 Ca -0.11 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.86 1uf0 s LEU 77 Cb 0.19 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1uf0 s LEU 77 CO 0.80 -3.72 -0.07 -0.69 0.23 0.00 0.00 176.35 172.89 1uf0 s VAL 78 N -2.54 0.54 -0.66 -1.59 1.01 -1.26 -5.07 120.40 110.84 1uf0 s VAL 78 Ca 0.68 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 1uf0 s VAL 78 Cb -0.24 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1uf0 s VAL 78 CO 0.62 -0.51 2.19 -0.70 0.00 0.00 0.00 175.10 176.70 1uf0 s GLU 79 N -2.12 2.20 0.00 2.72 2.12 -1.26 -3.40 118.70 118.96 1uf0 s GLU 79 Ca -0.05 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1uf0 s GLU 79 Cb -0.06 -4.65 0.00 0.00 0.26 0.00 0.00 34.13 29.67 1uf0 s GLU 79 CO -0.01 -3.41 0.00 0.41 -0.54 0.00 0.00 175.26 171.71 1uf0 n GLY 80 N 6.24 0.84 3.30 -1.50 0.00 -0.22 -4.88 105.19 108.98 1uf0 n GLY 80 Ca 0.35 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.96 1.26 0.02 1.61 0.41 -1.19 -5.06 118.70 113.80 1uf0 s GLU 81 Ca 0.00 -1.49 0.04 0.00 -0.41 0.00 0.00 54.97 53.11 1uf0 s GLU 81 Cb 0.00 0.32 -0.02 0.00 -1.78 0.00 0.00 34.13 32.66 1uf0 s GLU 81 CO 0.00 -0.45 -0.11 -1.12 -0.49 0.00 0.00 175.26 173.09 1uf0 s SER 82 N -3.10 1.35 0.15 -0.19 0.01 -1.26 -1.27 113.70 109.38 1uf0 s SER 82 Ca 0.32 -0.35 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 1uf0 s SER 82 Cb 0.05 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1uf0 s SER 82 CO 0.10 0.04 0.22 -0.31 0.41 0.00 0.00 173.24 173.69 1uf0 s TYR 83 N -0.66 0.50 -0.17 2.43 1.51 -0.27 -2.87 117.35 117.82 1uf0 s TYR 83 Ca 0.01 -0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 55.16 1uf0 s TYR 83 Cb -0.06 -0.17 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 1uf0 s TYR 83 CO 0.00 -0.65 -0.03 0.08 -1.11 0.00 0.00 175.55 173.84 1uf0 s VAL 84 N -3.98 3.89 -0.36 0.71 1.01 0.21 -1.42 120.40 120.45 1uf0 s VAL 84 Ca 0.18 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1uf0 s VAL 84 Cb 0.05 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1uf0 s VAL 84 CO -0.00 0.48 0.94 0.00 0.00 0.00 0.00 175.10 176.51 1uf0 n GLY 86 N 4.34 3.06 2.03 0.00 0.00 -0.49 -3.23 105.19 110.89 1uf0 n GLY 86 Ca 0.08 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.56 -0.50 -0.05 1.61 2.88 -1.26 -1.73 113.62 113.01 1uf0 n SER 87 Ca -0.00 0.12 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 1uf0 n SER 87 Cb 0.63 0.83 -0.09 0.00 -0.75 0.00 0.00 64.21 64.83 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 -2.63 0.67 -2.51 2.46 -5.35 -1.26 -4.83 119.36 105.91 1uf0 n ILE 88 Ca 0.00 -0.45 -0.41 0.00 -0.27 0.00 0.00 62.75 61.62 1uf0 n ILE 88 Cb 0.00 -0.58 -0.04 0.00 -1.74 0.00 0.00 39.64 37.28 1uf0 n ILE 88 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1uf0 s GLU 89 N -2.35 4.64 1.01 6.28 2.56 -1.26 -5.03 118.70 124.55 1uf0 s GLU 89 Ca -0.05 1.75 -0.12 0.00 0.00 0.00 0.00 54.97 56.55 1uf0 s GLU 89 Cb 0.04 -3.23 0.20 0.00 2.00 0.00 0.00 34.13 33.14 1uf0 s GLU 89 CO 0.47 0.18 1.09 -1.25 -0.56 0.00 0.00 175.26 175.18 1uf0 s PRO 90 N -1.02 0.31 0.38 4.30 0.04 -1.26 -4.94 135.00 132.80 1uf0 s PRO 90 Ca 0.46 0.53 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 1uf0 s PRO 90 Cb -0.31 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1uf0 s PRO 90 CO 0.38 -2.82 1.19 0.12 0.04 0.00 0.00 177.00 175.91 1uf0 s PHE 91 N -2.93 3.08 -0.05 0.56 2.19 -1.26 -4.93 117.98 114.64 1uf0 s PHE 91 Ca 0.66 1.54 0.01 0.00 0.33 0.00 0.00 56.93 59.47 1uf0 s PHE 91 Cb -0.19 -3.44 0.02 0.00 -1.31 0.00 0.00 43.02 38.10 1uf0 s PHE 91 CO 0.58 -1.39 -0.08 0.15 1.83 0.00 0.00 175.22 176.31 1uf0 s LYS 92 N -2.17 1.21 -0.61 10.12 1.02 -1.26 -5.10 119.74 122.95 1uf0 s LYS 92 Ca 0.55 -0.24 -0.28 0.00 0.02 0.00 0.00 55.97 56.02 1uf0 s LYS 92 Cb -0.32 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.92 1uf0 s LYS 92 CO 0.41 -0.04 1.22 0.21 -0.92 0.00 0.00 175.35 176.23 1uf0 s LYS 93 N 0.84 3.45 0.07 1.68 2.20 -1.26 -4.86 119.74 121.85 1uf0 s LYS 93 Ca -0.12 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.69 1uf0 s LYS 93 Cb -0.15 -4.05 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 1uf0 s LYS 93 CO 0.01 -1.78 -0.09 -0.51 -0.36 0.00 0.00 175.35 172.63 1uf0 s LEU 94 N 5.15 2.35 -0.95 5.43 1.43 -1.26 -5.09 118.68 125.73 1uf0 s LEU 94 Ca 0.42 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.60 1uf0 s LEU 94 Cb -0.08 -0.22 0.09 0.00 0.03 0.00 0.00 46.19 46.01 1uf0 s LEU 94 CO 0.24 -0.26 1.25 -1.61 0.23 0.00 0.00 176.35 176.20 1uf0 s GLU 95 N -2.36 3.56 -0.06 1.70 8.01 -1.26 -4.79 118.70 123.50 1uf0 s GLU 95 Ca -0.01 -1.44 -0.09 0.00 0.01 0.00 0.00 54.97 53.44 1uf0 s GLU 95 Cb -0.05 -5.04 -0.29 0.00 -4.31 0.00 0.00 34.13 24.44 1uf0 s GLU 95 CO -0.00 -1.95 0.60 1.88 0.01 0.00 0.00 175.26 175.80 1uf0 h TYR 96 N 9.26 0.64 -0.08 1.61 0.05 -1.95 -3.34 116.97 123.16 1uf0 h TYR 96 Ca 0.14 -0.47 0.02 0.00 0.05 0.00 0.00 58.73 58.48 1uf0 h TYR 96 Cb 1.02 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.73 1uf0 h TYR 96 CO 1.20 1.68 0.06 1.79 -1.05 0.00 0.00 178.16 181.84 1uf0 h THR 97 N 0.10 0.91 -0.50 -2.88 1.35 -1.88 -1.33 112.91 108.68 1uf0 h THR 97 Ca -0.36 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1uf0 h THR 97 Cb 2.08 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 69.43 1uf0 h THR 97 CO 0.15 0.00 0.33 0.50 -0.25 0.00 0.00 175.52 176.25 1uf0 h LYS 98 N 0.00 0.51 -1.00 4.72 3.64 -1.97 -1.03 116.57 121.45 1uf0 h LYS 98 Ca 0.04 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.85 1uf0 h LYS 98 Cb 0.16 -0.12 -0.30 0.00 -0.41 0.00 0.00 32.23 31.56 1uf0 h LYS 98 CO -0.00 0.34 0.69 0.09 -2.27 0.00 0.00 179.45 178.29 1uf0 n ASN 99 N -4.47 4.38 -3.39 4.20 3.02 -0.50 -4.81 115.26 113.68 1uf0 n ASN 99 Ca 0.06 -3.62 -0.08 0.00 -0.03 0.00 0.00 54.58 50.91 1uf0 n ASN 99 Cb 0.17 -0.86 -0.08 0.00 -0.61 0.00 0.00 39.78 38.40 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 -3.49 -0.64 -0.31 2.41 1.01 -0.39 -4.75 120.40 114.24 1uf0 s VAL 100 Ca 0.57 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 1uf0 s VAL 100 Cb 0.48 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1uf0 s VAL 100 CO 0.09 -0.08 1.46 0.21 0.00 0.00 0.00 175.10 176.78 1uf0 s ASN 101 N 2.58 6.44 -0.84 3.32 2.47 -1.26 -4.85 114.94 122.80 1uf0 s ASN 101 Ca 0.11 1.24 -0.20 0.00 0.42 0.00 0.00 52.86 54.42 1uf0 s ASN 101 Cb -0.15 -2.54 -0.20 0.00 -1.45 0.00 0.00 41.25 36.92 1uf0 s ASN 101 CO -0.16 -1.27 2.25 -2.65 -3.72 0.00 0.00 177.10 171.55 1uf0 n PRO 102 N 7.70 0.33 -2.33 0.43 -0.02 -1.26 -4.30 135.00 135.56 1uf0 n PRO 102 Ca 0.17 -0.67 -0.03 0.00 -2.02 0.00 0.00 63.50 60.96 1uf0 n PRO 102 Cb 0.47 -2.87 -0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 14.65 -0.84 -0.04 2.55 5.15 -1.26 -5.02 115.26 130.45 1uf0 n ASN 103 Ca 0.50 -1.50 -0.06 0.00 -0.60 0.00 0.00 54.58 52.91 1uf0 n ASN 103 Cb 0.36 0.70 -0.03 0.00 -0.53 0.00 0.00 39.78 40.28 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 -0.43 0.00 -1.46 1.20 4.27 -1.26 -4.49 117.44 115.26 1uf0 n TRP 104 Ca -0.19 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.15 1uf0 n TRP 104 Cb 0.62 -0.27 0.10 0.00 -1.36 0.00 0.00 31.31 30.40 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 -2.97 5.80 0.00 -0.67 2.88 -1.26 -3.46 113.62 113.94 1uf0 n SER 105 Ca -0.14 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.65 1uf0 n SER 105 Cb 0.62 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 -0.95 0.00 -0.80 2.46 0.24 -1.26 -4.87 118.33 113.15 1uf0 n VAL 106 Ca 0.55 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.87 1uf0 n VAL 106 Cb 0.95 -0.84 0.03 0.00 -1.47 0.00 0.00 33.84 32.51 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 -2.58 1.30 -2.77 -1.34 4.13 -1.26 -5.08 115.26 107.66 1uf0 n ASN 107 Ca 0.00 -2.03 -0.04 0.00 1.68 0.00 0.00 54.58 54.20 1uf0 n ASN 107 Cb 0.35 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.43 1uf0 n ASN 107 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1uf0 n VAL 108 N -0.53 -9.13 -2.52 2.41 0.31 -1.22 -4.97 118.33 102.68 1uf0 n VAL 108 Ca 0.04 1.87 -0.12 0.00 -0.01 0.00 0.00 64.34 66.12 1uf0 n VAL 108 Cb 0.47 -5.31 0.03 0.00 -0.91 0.00 0.00 33.84 28.12 1uf0 n VAL 108 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1uf0 n LYS 109 N 1.87 2.41 0.32 5.55 3.00 -1.25 -4.90 118.16 125.16 1uf0 n LYS 109 Ca -0.26 -3.79 -0.13 0.00 -0.00 0.00 0.00 58.31 54.13 1uf0 n LYS 109 Cb 0.43 -1.83 -0.06 0.00 0.00 0.00 0.00 35.03 33.56 1uf0 n LYS 109 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1uf0 h THR 110 N 3.79 0.02 -1.58 3.15 1.35 -1.93 -3.46 112.91 114.23 1uf0 h THR 110 Ca 0.07 -0.38 -0.53 0.00 -0.55 0.00 0.00 66.41 65.03 1uf0 h THR 110 Cb 1.30 0.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.68 1uf0 h THR 110 CO 0.49 0.00 -0.44 -0.44 -0.25 0.00 0.00 175.52 174.88 1uf0 s SER 111 N -4.58 4.77 0.00 5.36 0.01 -1.26 -5.10 113.70 112.90 1uf0 s SER 111 Ca -0.13 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1uf0 s SER 111 Cb 0.01 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1uf0 s SER 111 CO 0.38 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1uf0 n GLY 112 N -1.39 3.56 3.74 3.44 0.00 -1.26 -5.07 105.19 108.21 1uf0 n GLY 112 Ca 0.01 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1uf0 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uf0 s PRO 113 N -4.50 4.50 0.08 1.61 0.04 -1.26 -4.95 135.00 130.52 1uf0 s PRO 113 Ca 0.00 1.85 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1uf0 s PRO 113 Cb 0.00 -3.25 -0.23 0.00 0.04 0.00 0.00 34.50 31.06 1uf0 s PRO 113 CO 0.00 -0.08 1.17 0.77 0.04 0.00 0.00 177.00 178.90 1uf0 h SER 114 N 5.31 0.69 -2.86 6.66 0.02 -2.03 -3.44 113.55 117.90 1uf0 h SER 114 Ca -0.44 -0.63 -0.67 0.00 -0.84 0.00 0.00 61.79 59.20 1uf0 h SER 114 Cb 1.21 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.44 1uf0 h SER 114 CO 0.75 1.45 -0.53 -0.44 -1.14 0.00 0.00 176.83 176.92 1uf0 s SER 115 N -7.28 6.02 0.00 3.07 0.01 -1.26 -5.34 113.70 108.92 1uf0 s SER 115 Ca -0.07 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1uf0 s SER 115 Cb 0.07 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1uf0 s SER 115 CO 0.91 0.40 0.00 0.61 0.41 0.00 0.00 173.24 175.56