#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 -0.41 -0.33 1.61 0.15 -1.26 -5.07 113.70 108.39 1uf0 s SER 2 Ca 0.00 0.72 -0.04 0.00 0.70 0.00 0.00 55.95 57.33 1uf0 s SER 2 Cb 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1uf0 s SER 2 CO 0.00 -0.12 0.15 -1.20 1.20 0.00 0.00 173.24 173.27 1uf0 n SER 3 N 2.93 -7.88 -0.44 5.45 7.64 -1.26 -4.88 113.62 115.18 1uf0 n SER 3 Ca -0.16 1.19 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1uf0 n SER 3 Cb 0.57 -5.26 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 1uf0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 4 N 0.44 -0.99 3.56 0.23 0.00 -1.26 -4.96 105.19 102.21 1uf0 n GLY 4 Ca 0.03 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.00 5.63 0.43 1.61 1.04 -1.26 -4.97 113.70 116.18 1uf0 s SER 5 Ca 0.00 -0.52 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 1uf0 s SER 5 Cb 0.00 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 1uf0 s SER 5 CO 0.00 -2.24 0.98 -0.44 0.98 0.00 0.00 173.24 172.52 1uf0 s SER 6 N 6.72 6.80 0.55 7.02 0.01 -1.26 -5.06 113.70 128.48 1uf0 s SER 6 Ca 0.59 1.80 -0.01 0.00 1.31 0.00 0.00 55.95 59.63 1uf0 s SER 6 Cb -0.07 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1uf0 s SER 6 CO 0.06 -0.46 0.80 -0.83 0.41 0.00 0.00 173.24 173.22 1uf0 s GLY 7 N -2.03 1.71 0.00 3.44 0.00 -1.26 -5.03 107.32 104.15 1uf0 s GLY 7 Ca 0.62 -1.11 0.13 0.00 0.00 0.00 0.00 44.72 44.36 1uf0 s GLY 7 CO 0.17 -0.84 1.06 1.17 0.00 0.00 0.00 173.10 174.66 1uf0 n LYS 8 N -2.39 0.00 -3.11 2.90 3.00 -1.26 -5.01 118.16 112.30 1uf0 n LYS 8 Ca 0.06 -1.44 0.03 0.00 -0.00 0.00 0.00 58.31 56.96 1uf0 n LYS 8 Cb 0.59 -0.16 -0.00 0.00 0.00 0.00 0.00 35.03 35.46 1uf0 n LYS 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1uf0 s LYS 9 N 0.00 0.51 0.05 1.64 2.20 -1.26 -4.90 119.74 117.99 1uf0 s LYS 9 Ca 0.17 0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 1uf0 s LYS 9 Cb 0.19 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1uf0 s LYS 9 CO -0.08 -0.83 0.10 0.00 -0.36 0.00 0.00 175.35 174.18 1uf0 s ALA 10 N 2.36 3.64 -0.20 3.13 0.00 -1.26 -4.95 121.76 124.47 1uf0 s ALA 10 Ca 0.16 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1uf0 s ALA 10 Cb -0.04 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1uf0 s ALA 10 CO -0.17 0.74 1.59 0.15 0.00 0.00 0.00 175.76 178.07 1uf0 s LYS 11 N -2.21 3.86 -0.44 0.00 3.01 -0.20 -4.69 119.74 119.07 1uf0 s LYS 11 Ca 0.28 1.70 -0.28 0.00 -1.01 0.00 0.00 55.97 56.66 1uf0 s LYS 11 Cb -0.12 -4.01 0.03 0.00 -1.01 0.00 0.00 37.83 32.71 1uf0 s LYS 11 CO 0.20 -1.21 1.06 0.15 0.51 0.00 0.00 175.35 176.06 1uf0 s LYS 12 N 4.53 3.75 -0.07 1.68 -0.14 -1.26 0.50 119.74 128.73 1uf0 s LYS 12 Ca 0.70 0.56 0.03 0.00 -1.36 0.00 0.00 55.97 55.90 1uf0 s LYS 12 Cb -0.25 -3.88 0.01 0.00 -1.68 0.00 0.00 37.83 32.03 1uf0 s LYS 12 CO 0.28 -1.23 -0.16 0.14 -0.76 0.00 0.00 175.35 173.62 1uf0 s VAL 13 N 4.09 1.39 0.22 3.17 -7.23 0.17 -0.69 120.40 121.53 1uf0 s VAL 13 Ca 0.44 -0.63 0.06 0.00 -1.81 0.00 0.00 61.98 60.04 1uf0 s VAL 13 Cb -0.09 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1uf0 s VAL 13 CO 0.27 0.41 0.17 -0.60 -0.31 0.00 0.00 175.10 175.04 1uf0 s ARG 14 N 0.52 2.89 -0.00 4.82 3.52 -0.56 0.75 118.95 130.90 1uf0 s ARG 14 Ca -0.15 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.40 1uf0 s ARG 14 Cb -0.16 -2.57 -0.00 0.00 -1.56 0.00 0.00 34.95 30.65 1uf0 s ARG 14 CO 0.05 0.43 0.09 -0.06 -0.81 0.00 0.00 175.30 175.00 1uf0 s PHE 15 N -2.01 0.07 0.37 5.12 0.08 -0.67 -2.11 117.98 118.83 1uf0 s PHE 15 Ca 0.32 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.25 1uf0 s PHE 15 Cb -0.08 -0.07 -0.05 0.00 -0.57 0.00 0.00 43.02 42.25 1uf0 s PHE 15 CO 0.24 -0.23 0.07 0.71 -0.10 0.00 0.00 175.22 175.92 1uf0 s TYR 16 N -1.17 1.95 -0.20 0.36 2.02 -0.17 -2.56 117.35 117.59 1uf0 s TYR 16 Ca -0.13 -1.02 -0.15 0.00 -0.37 0.00 0.00 57.07 55.40 1uf0 s TYR 16 Cb -0.07 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 1uf0 s TYR 16 CO 0.01 -0.02 0.38 1.03 -1.57 0.00 0.00 175.55 175.37 1uf0 s ARG 17 N -3.83 4.17 -0.80 -0.62 0.52 -1.26 -1.29 118.95 115.84 1uf0 s ARG 17 Ca 0.31 0.17 -0.26 0.00 -0.52 0.00 0.00 55.73 55.43 1uf0 s ARG 17 Cb 0.07 -3.53 -0.10 0.00 0.52 0.00 0.00 34.95 31.91 1uf0 s ARG 17 CO 0.14 -0.02 2.23 1.21 0.02 0.00 0.00 175.30 178.88 1uf0 s ASN 18 N 1.02 4.41 0.00 0.23 2.47 -1.20 -1.60 114.94 120.27 1uf0 s ASN 18 Ca 0.18 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.36 1uf0 s ASN 18 Cb -0.15 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1uf0 s ASN 18 CO 0.08 -3.35 0.00 0.61 -3.72 0.00 0.00 177.10 170.71 1uf0 n GLY 19 N 6.71 1.94 2.65 1.21 0.00 -1.26 -4.92 105.19 111.52 1uf0 n GLY 19 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 2.57 0.13 1.61 -1.08 -0.63 -4.99 116.67 112.27 1uf0 s ASP 20 Ca 0.00 -1.08 0.06 0.00 -0.52 0.00 0.00 52.55 51.01 1uf0 s ASP 20 Cb 0.00 0.08 -0.17 0.00 -1.46 0.00 0.00 42.92 41.37 1uf0 s ASP 20 CO 0.00 -0.41 1.29 0.08 0.52 0.00 0.00 175.17 176.65 1uf0 h ARG 21 N 8.25 0.04 -0.08 4.34 0.11 -1.89 -3.23 114.38 121.92 1uf0 h ARG 21 Ca -0.15 -0.06 0.02 0.00 0.10 0.00 0.00 59.98 59.89 1uf0 h ARG 21 Cb 1.04 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 1uf0 h ARG 21 CO 0.38 1.00 0.07 1.88 0.10 0.00 0.00 179.97 183.39 1uf0 h TYR 22 N 0.01 0.00 -3.49 4.08 0.05 -1.94 -3.43 116.97 112.25 1uf0 h TYR 22 Ca -0.02 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.20 1uf0 h TYR 22 Cb 1.74 0.00 0.10 0.00 1.01 0.00 0.00 36.73 39.58 1uf0 h TYR 22 CO 0.01 0.00 0.66 0.34 -1.05 0.00 0.00 178.16 178.12 1uf0 n PHE 23 N -4.25 2.61 0.03 4.88 7.35 -1.22 -4.92 117.46 121.94 1uf0 n PHE 23 Ca -0.01 0.47 -0.12 0.00 -0.76 0.00 0.00 57.45 57.03 1uf0 n PHE 23 Cb 0.18 -2.49 -0.14 0.00 0.35 0.00 0.00 39.48 37.38 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 3.10 0.10 0.00 -4.13 1.57 -1.89 -3.48 116.57 111.84 1uf0 h LYS 24 Ca -0.48 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1uf0 h LYS 24 Cb 1.26 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1uf0 h LYS 24 CO 0.66 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 180.82 1uf0 n GLY 25 N 1.58 1.93 3.77 3.86 0.00 -1.26 -4.82 105.19 110.25 1uf0 n GLY 25 Ca -0.14 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 5.20 0.33 -0.61 2.07 -1.06 -4.90 121.20 122.24 1uf0 s ILE 26 Ca 0.00 0.71 -0.03 0.00 -1.41 0.00 0.00 60.65 59.92 1uf0 s ILE 26 Cb 0.00 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 38.87 1uf0 s ILE 26 CO 0.00 0.46 0.57 -0.69 -1.91 0.00 0.00 174.94 173.37 1uf0 s VAL 27 N -0.13 5.05 -0.04 4.00 1.01 -1.26 -1.66 120.40 127.36 1uf0 s VAL 27 Ca 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1uf0 s VAL 27 Cb -0.15 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1uf0 s VAL 27 CO 0.08 -0.47 0.18 -0.31 0.00 0.00 0.00 175.10 174.59 1uf0 s TYR 28 N -2.24 -0.13 -0.39 5.22 1.51 0.23 -4.95 117.35 116.60 1uf0 s TYR 28 Ca 0.43 0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 56.71 1uf0 s TYR 28 Cb -0.10 0.03 0.07 0.00 -0.11 0.00 0.00 41.96 41.85 1uf0 s TYR 28 CO 0.34 -0.18 0.19 0.00 -1.11 0.00 0.00 175.55 174.79 1uf0 s ALA 29 N -0.47 3.17 -0.55 3.71 0.00 -1.25 0.43 121.76 126.80 1uf0 s ALA 29 Ca -0.06 -2.07 -0.27 0.00 0.00 0.00 0.00 51.96 49.57 1uf0 s ALA 29 Cb -0.04 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.66 1uf0 s ALA 29 CO 0.01 -1.56 1.09 0.42 0.00 0.00 0.00 175.76 175.72 1uf0 s ILE 30 N 1.36 4.19 0.38 0.00 -1.09 0.18 -4.75 121.20 121.47 1uf0 s ILE 30 Ca 0.02 0.76 0.08 0.00 -2.23 0.00 0.00 60.65 59.28 1uf0 s ILE 30 Cb -0.22 -4.63 -0.06 0.00 -1.58 0.00 0.00 42.46 35.97 1uf0 s ILE 30 CO 0.01 -1.18 0.02 -0.44 -1.23 0.00 0.00 174.94 172.12 1uf0 s SER 31 N 2.79 4.04 0.09 3.58 0.01 -1.26 -1.03 113.70 121.92 1uf0 s SER 31 Ca 0.40 -1.17 -0.16 0.00 1.31 0.00 0.00 55.95 56.33 1uf0 s SER 31 Cb -0.09 -0.44 -0.09 0.00 0.21 0.00 0.00 66.02 65.61 1uf0 s SER 31 CO 0.25 -0.35 1.42 1.55 0.41 0.00 0.00 173.24 176.52 1uf0 h PRO 32 N 1.77 0.65 0.09 12.44 0.13 -1.94 -2.52 132.00 142.62 1uf0 h PRO 32 Ca -0.43 -0.33 -0.30 0.00 -0.87 0.00 0.00 66.00 64.07 1uf0 h PRO 32 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1uf0 h PRO 32 CO 0.72 0.93 -1.53 0.22 -0.23 0.00 0.00 178.00 178.12 1uf0 h ASP 33 N 0.38 0.31 0.91 1.44 3.58 -1.97 -3.38 116.42 117.68 1uf0 h ASP 33 Ca 0.05 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 57.01 1uf0 h ASP 33 Cb 0.79 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.75 1uf0 h ASP 33 CO 0.06 1.37 -0.44 -0.09 -2.88 0.00 0.00 179.24 177.26 1uf0 h ARG 34 N 0.05 -1.19 -4.58 0.28 1.12 -1.94 -3.39 114.38 104.74 1uf0 h ARG 34 Ca -0.23 0.08 -0.71 0.00 -1.11 0.00 0.00 59.98 58.01 1uf0 h ARG 34 Cb 1.99 0.27 -0.27 0.00 -0.01 0.00 0.00 29.97 31.95 1uf0 h ARG 34 CO 0.15 -0.79 -0.53 -0.06 -3.11 0.00 0.00 179.97 175.62 1uf0 s PHE 35 N -5.70 3.28 0.19 2.20 0.08 -0.95 -4.95 117.98 112.14 1uf0 s PHE 35 Ca -0.18 -1.31 -0.00 0.00 0.12 0.00 0.00 56.93 55.56 1uf0 s PHE 35 Cb 0.02 -2.53 0.12 0.00 -0.57 0.00 0.00 43.02 40.05 1uf0 s PHE 35 CO 0.54 -0.74 1.48 0.00 -0.10 0.00 0.00 175.22 176.41 1uf0 h ARG 36 N 8.35 0.40 -3.05 0.44 3.08 -1.77 -3.43 114.38 118.40 1uf0 h ARG 36 Ca -0.24 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1uf0 h ARG 36 Cb 1.09 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1uf0 h ARG 36 CO 0.67 0.92 0.25 -1.12 -1.07 0.00 0.00 179.97 179.62 1uf0 s SER 37 N -6.94 0.03 0.50 7.04 0.01 -1.26 -5.03 113.70 108.06 1uf0 s SER 37 Ca -0.06 -1.14 0.16 0.00 1.31 0.00 0.00 55.95 56.22 1uf0 s SER 37 Cb 0.11 0.84 1.20 0.00 0.21 0.00 0.00 66.02 68.38 1uf0 s SER 37 CO 0.83 -1.67 2.10 0.15 0.41 0.00 0.00 173.24 175.07 1uf0 h PHE 38 N 2.00 0.00 -0.24 2.43 3.57 -1.93 -1.66 116.94 121.11 1uf0 h PHE 38 Ca -0.32 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.22 1uf0 h PHE 38 Cb 1.25 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1uf0 h PHE 38 CO 1.35 0.06 0.17 0.93 -2.23 0.00 0.00 178.31 178.58 1uf0 h GLU 39 N 0.00 0.15 -0.04 1.11 4.39 -1.98 0.12 114.58 118.31 1uf0 h GLU 39 Ca -0.00 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 1uf0 h GLU 39 Cb 0.11 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1uf0 h GLU 39 CO 0.01 0.10 -0.91 0.00 -1.16 0.00 0.00 179.01 177.05 1uf0 h ALA 40 N 1.87 0.32 -0.11 3.43 0.00 -1.71 -2.38 119.26 120.68 1uf0 h ALA 40 Ca 0.11 -0.67 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 1uf0 h ALA 40 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uf0 h ALA 40 CO -0.02 0.74 -0.78 1.25 0.00 0.00 0.00 179.25 180.45 1uf0 h LEU 41 N 0.35 0.75 -0.88 0.00 5.85 -1.29 -2.47 115.31 117.61 1uf0 h LEU 41 Ca -0.08 -0.50 -0.11 0.00 0.84 0.00 0.00 57.88 58.03 1uf0 h LEU 41 Cb 1.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1uf0 h LEU 41 CO 0.17 1.27 -0.42 -0.07 -0.34 0.00 0.00 178.44 179.06 1uf0 h LEU 42 N 0.42 0.31 -0.47 2.25 3.38 -0.86 -0.25 115.31 120.09 1uf0 h LEU 42 Ca -0.05 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 1uf0 h LEU 42 Cb 1.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1uf0 h LEU 42 CO 0.15 0.70 -0.76 0.00 0.09 0.00 0.00 178.44 178.62 1uf0 h ALA 43 N 1.32 0.71 0.15 1.53 0.00 -1.40 -2.32 119.26 119.25 1uf0 h ALA 43 Ca 0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 54.91 53.97 1uf0 h ALA 43 Cb 0.85 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1uf0 h ALA 43 CO 0.07 0.90 -1.36 -0.44 0.00 0.00 0.00 179.25 178.42 1uf0 h ASP 44 N 0.05 0.50 0.36 0.00 5.19 -1.25 -2.86 116.42 118.40 1uf0 h ASP 44 Ca -0.02 -0.56 -0.13 0.00 -0.62 0.00 0.00 57.03 55.70 1uf0 h ASP 44 Cb 1.34 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1uf0 h ASP 44 CO 0.11 1.45 -0.53 -0.07 -3.12 0.00 0.00 179.24 177.07 1uf0 h LEU 45 N 0.09 0.21 -0.27 1.55 3.38 -1.07 -2.92 115.31 116.29 1uf0 h LEU 45 Ca -0.18 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 1uf0 h LEU 45 Cb 2.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 1uf0 h LEU 45 CO 0.21 0.71 -0.88 0.74 0.09 0.00 0.00 178.44 179.30 1uf0 h THR 46 N 0.15 1.55 -0.04 0.22 2.02 -1.49 0.15 112.91 115.47 1uf0 h THR 46 Ca 0.00 -2.80 -0.09 0.00 0.77 0.00 0.00 66.41 64.30 1uf0 h THR 46 Cb 0.99 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1uf0 h THR 46 CO 0.08 0.81 -0.38 -0.09 0.37 0.00 0.00 175.52 176.30 1uf0 h ARG 47 N 0.05 0.08 0.00 6.66 2.43 -1.38 -3.39 114.38 118.84 1uf0 h ARG 47 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1uf0 h ARG 47 Cb 1.53 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1uf0 h ARG 47 CO 0.13 0.46 0.00 0.25 -1.51 0.00 0.00 179.97 179.29 1uf0 n THR 48 N -4.07 0.00 -2.50 0.20 -2.24 -1.11 -4.87 114.28 99.69 1uf0 n THR 48 Ca -0.02 0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 61.81 1uf0 n THR 48 Cb 0.43 -1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 1uf0 n THR 48 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uf0 s LEU 49 N -4.93 3.18 -0.32 3.22 1.43 0.50 -4.82 118.68 116.94 1uf0 s LEU 49 Ca 0.00 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1uf0 s LEU 49 Cb 0.00 -2.57 0.19 0.00 0.03 0.00 0.00 46.19 43.84 1uf0 s LEU 49 CO 0.00 -1.88 1.07 -0.55 0.23 0.00 0.00 176.35 175.21 1uf0 s SER 50 N 4.14 -0.28 -0.13 2.29 0.15 -1.26 -4.20 113.70 114.41 1uf0 s SER 50 Ca 0.38 -0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.81 1uf0 s SER 50 Cb -0.08 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1uf0 s SER 50 CO 0.16 -0.03 0.13 -0.62 1.20 0.00 0.00 173.24 174.08 1uf0 s ASP 51 N 1.90 6.31 0.52 5.45 -1.08 -0.88 -4.85 116.67 124.04 1uf0 s ASP 51 Ca 0.15 0.43 0.18 0.00 -0.52 0.00 0.00 52.55 52.78 1uf0 s ASP 51 Cb 0.04 -2.05 1.28 0.00 -1.46 0.00 0.00 42.92 40.74 1uf0 s ASP 51 CO -0.15 0.38 2.12 -1.13 0.52 0.00 0.00 175.17 176.91 1uf0 h ASN 52 N 5.17 0.01 0.89 -0.34 -1.24 -1.90 0.86 115.58 119.03 1uf0 h ASN 52 Ca -0.53 -0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.25 1uf0 h ASN 52 Cb 1.22 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.23 1uf0 h ASN 52 CO 0.60 0.01 -1.14 0.58 -1.29 0.00 0.00 177.43 176.18 1uf0 h VAL 53 N 0.02 1.55 0.00 2.57 2.07 -1.99 -3.39 116.25 117.07 1uf0 h VAL 53 Ca 0.05 -3.28 0.00 0.00 0.82 0.00 0.00 66.70 64.30 1uf0 h VAL 53 Cb 0.19 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1uf0 h VAL 53 CO -0.00 0.89 0.00 0.59 0.02 0.00 0.00 177.57 179.06 1uf0 n ASN 54 N -3.30 0.00 -4.12 0.57 3.02 -0.52 -4.93 115.26 105.98 1uf0 n ASN 54 Ca -0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.14 1uf0 n ASN 54 Cb 0.96 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.90 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 -3.59 5.39 0.11 3.41 1.02 0.29 -4.90 118.68 120.41 1uf0 s LEU 55 Ca 0.00 -2.77 -0.14 0.00 0.02 0.00 0.00 54.13 51.24 1uf0 s LEU 55 Cb 0.00 -1.89 -0.06 0.00 0.02 0.00 0.00 46.19 44.26 1uf0 s LEU 55 CO 0.00 -0.41 1.46 1.55 0.02 0.00 0.00 176.35 178.97 1uf0 h PRO 56 N 7.19 0.74 0.01 1.29 0.13 -1.61 -2.35 132.00 137.40 1uf0 h PRO 56 Ca -0.02 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1uf0 h PRO 56 Cb 0.97 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1uf0 h PRO 56 CO 0.72 0.97 -0.00 1.96 -0.23 0.00 0.00 178.00 181.42 1uf0 h GLN 57 N 0.51 -0.01 0.00 0.86 4.20 -1.92 -3.46 115.11 115.29 1uf0 h GLN 57 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1uf0 h GLN 57 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1uf0 h GLN 57 CO 0.06 0.76 0.00 0.41 -0.67 0.00 0.00 178.83 179.40 1uf0 n GLY 58 N 1.06 0.13 3.10 3.46 0.00 -1.25 -5.03 105.19 106.66 1uf0 n GLY 58 Ca -0.09 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.96 0.06 1.61 0.11 -1.26 -4.61 120.40 117.26 1uf0 s VAL 59 Ca 0.00 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1uf0 s VAL 59 Cb 0.00 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1uf0 s VAL 59 CO 0.00 0.04 0.00 0.54 -3.33 0.00 0.00 175.10 172.35 1uf0 n ARG 60 N 2.16 0.00 -4.83 1.54 1.74 -1.14 -4.92 116.66 111.21 1uf0 n ARG 60 Ca -0.17 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.58 1uf0 n ARG 60 Cb 0.55 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.83 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uf0 s THR 61 N -2.00 2.30 -0.36 0.55 2.01 -1.10 -5.02 115.64 112.02 1uf0 s THR 61 Ca 0.00 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1uf0 s THR 61 Cb 0.00 -1.93 0.07 0.00 0.01 0.00 0.00 72.50 70.66 1uf0 s THR 61 CO 0.00 0.54 0.13 -0.63 -0.69 0.00 0.00 174.62 173.98 1uf0 s ILE 62 N 0.61 3.47 0.52 1.82 1.01 -1.25 -1.45 121.20 125.93 1uf0 s ILE 62 Ca -0.11 -1.55 -0.14 0.00 0.00 0.00 0.00 60.65 58.85 1uf0 s ILE 62 Cb -0.16 -3.14 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 1uf0 s ILE 62 CO 0.03 -0.38 0.95 -0.31 0.00 0.00 0.00 174.94 175.23 1uf0 s TYR 63 N 1.28 3.49 1.27 3.97 2.02 -0.80 -0.25 117.35 128.32 1uf0 s TYR 63 Ca 0.01 1.35 -0.18 0.00 -0.37 0.00 0.00 57.07 57.88 1uf0 s TYR 63 Cb -0.21 -2.71 0.31 0.00 -0.40 0.00 0.00 41.96 38.95 1uf0 s TYR 63 CO -0.01 -0.38 1.00 0.95 -1.57 0.00 0.00 175.55 175.54 1uf0 s THR 64 N -2.69 1.63 0.32 -0.71 -4.23 0.07 -0.73 115.64 109.30 1uf0 s THR 64 Ca 0.57 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1uf0 s THR 64 Cb -0.10 -2.16 0.09 0.00 1.34 0.00 0.00 72.50 71.67 1uf0 s THR 64 CO 0.36 0.00 1.78 -0.29 -0.54 0.00 0.00 174.62 175.93 1uf0 h ILE 65 N -2.90 1.25 0.16 2.99 6.09 -1.88 -3.08 117.51 120.14 1uf0 h ILE 65 Ca -0.52 -1.16 -0.28 0.00 -1.37 0.00 0.00 64.86 61.54 1uf0 h ILE 65 Cb 1.33 1.35 0.03 0.00 0.47 0.00 0.00 36.82 40.01 1uf0 h ILE 65 CO 0.40 0.36 -1.18 -0.78 -3.07 0.00 0.00 178.15 173.88 1uf0 h ASP 66 N 0.33 0.76 0.00 2.19 3.58 -1.91 -3.49 116.42 117.88 1uf0 h ASP 66 Ca 0.05 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.62 1uf0 h ASP 66 Cb 0.59 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1uf0 h ASP 66 CO 0.04 1.57 0.00 0.61 -2.88 0.00 0.00 179.24 178.58 1uf0 n GLY 67 N 1.53 1.95 0.66 -0.78 0.00 -1.16 -5.00 105.19 102.39 1uf0 n GLY 67 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 1.05 -4.90 0.99 4.77 -1.26 -4.94 117.00 112.70 1uf0 n LEU 68 Ca 0.00 0.16 -0.28 0.00 -0.03 0.00 0.00 56.01 55.86 1uf0 n LEU 68 Cb 0.00 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1uf0 n LEU 68 CO 0.00 -0.55 0.46 -0.54 -1.33 0.00 0.00 177.39 175.43 1uf0 s LYS 69 N -1.99 3.56 -0.02 3.23 -0.14 -1.26 -4.92 119.74 118.20 1uf0 s LYS 69 Ca -0.08 0.25 0.04 0.00 -1.36 0.00 0.00 55.97 54.81 1uf0 s LYS 69 Cb 0.01 -2.36 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 1uf0 s LYS 69 CO 0.12 -0.22 -0.13 -1.59 -0.76 0.00 0.00 175.35 172.78 1uf0 s LYS 70 N -4.73 1.12 -0.12 1.68 0.00 -1.26 -0.75 119.74 115.68 1uf0 s LYS 70 Ca 0.48 -0.44 -0.23 0.00 0.00 0.00 0.00 55.97 55.78 1uf0 s LYS 70 Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 37.83 36.64 1uf0 s LYS 70 CO 0.45 0.23 0.71 0.42 0.00 0.00 0.00 175.35 177.16 1uf0 s ILE 71 N -0.14 5.01 -0.06 3.79 -1.09 0.65 -4.92 121.20 124.44 1uf0 s ILE 71 Ca 0.02 1.42 0.01 0.00 -2.23 0.00 0.00 60.65 59.86 1uf0 s ILE 71 Cb -0.07 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1uf0 s ILE 71 CO 0.00 0.18 -0.05 -0.24 -1.23 0.00 0.00 174.94 173.59 1uf0 n SER 72 N 4.34 3.52 -3.65 3.58 2.88 -1.26 -3.89 113.62 119.14 1uf0 n SER 72 Ca -0.00 -0.03 -0.16 0.00 -1.33 0.00 0.00 58.87 57.34 1uf0 n SER 72 Cb 0.50 -0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.67 2.19 -0.02 -3.46 7.64 -1.26 -4.97 113.62 111.06 1uf0 n SER 73 Ca -0.11 -2.15 -0.22 0.00 1.01 0.00 0.00 58.87 57.40 1uf0 n SER 73 Cb 0.62 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 1uf0 n SER 73 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1uf0 h LEU 74 N 0.00 0.30 -2.03 -3.43 3.38 -1.97 -3.36 115.31 108.20 1uf0 h LEU 74 Ca -0.21 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 56.94 1uf0 h LEU 74 Cb 0.75 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1uf0 h LEU 74 CO 0.34 1.75 0.00 0.44 0.09 0.00 0.00 178.44 181.06 1uf0 h ASP 75 N -0.25 0.00 -0.26 -0.43 5.19 -2.00 -1.37 116.42 117.29 1uf0 h ASP 75 Ca -0.40 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.06 1uf0 h ASP 75 Cb 1.82 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.31 1uf0 h ASP 75 CO 0.00 0.00 0.18 1.56 -3.12 0.00 0.00 179.24 177.86 1uf0 h GLN 76 N 0.00 0.15 -7.30 3.56 1.08 -1.99 -3.43 115.11 107.18 1uf0 h GLN 76 Ca 0.00 -0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 56.69 1uf0 h GLN 76 Cb 0.01 -0.03 0.16 0.00 -0.05 0.00 0.00 27.48 27.56 1uf0 h GLN 76 CO -0.00 0.10 0.25 -0.51 -0.95 0.00 0.00 178.83 177.72 1uf0 s LEU 77 N -9.12 2.56 0.13 1.46 1.43 -0.52 -5.06 118.68 109.56 1uf0 s LEU 77 Ca -0.06 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.87 1uf0 s LEU 77 Cb 0.18 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 1uf0 s LEU 77 CO 0.70 -2.63 -0.15 -0.69 0.23 0.00 0.00 176.35 173.82 1uf0 s VAL 78 N -2.83 1.45 -0.44 -1.59 1.01 -1.26 -5.07 120.40 111.67 1uf0 s VAL 78 Ca 0.64 -1.77 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 1uf0 s VAL 78 Cb -0.19 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1uf0 s VAL 78 CO 0.57 -0.39 1.69 -0.70 0.00 0.00 0.00 175.10 176.27 1uf0 s GLU 79 N -2.71 3.22 0.00 2.72 2.12 -1.26 -3.78 118.70 119.02 1uf0 s GLU 79 Ca 0.11 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.47 1uf0 s GLU 79 Cb -0.05 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.14 1uf0 s GLU 79 CO 0.04 -2.00 0.00 0.41 -0.54 0.00 0.00 175.26 173.17 1uf0 n GLY 80 N 5.39 0.70 3.39 -1.50 0.00 0.14 -4.88 105.19 108.43 1uf0 n GLY 80 Ca 0.20 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.23 1.23 -0.01 1.61 0.41 -1.23 -5.08 118.70 113.40 1uf0 s GLU 81 Ca 0.00 -1.14 0.03 0.00 -0.41 0.00 0.00 54.97 53.45 1uf0 s GLU 81 Cb 0.00 0.41 -0.01 0.00 -1.78 0.00 0.00 34.13 32.75 1uf0 s GLU 81 CO 0.00 -0.47 -0.11 -1.12 -0.49 0.00 0.00 175.26 173.08 1uf0 s SER 82 N -2.96 1.23 0.15 -0.19 0.01 -1.26 -1.49 113.70 109.19 1uf0 s SER 82 Ca 0.17 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1uf0 s SER 82 Cb 0.02 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1uf0 s SER 82 CO 0.01 0.13 0.03 -0.31 0.41 0.00 0.00 173.24 173.51 1uf0 s TYR 83 N -0.25 1.01 -0.19 2.43 1.51 -0.90 -3.00 117.35 117.96 1uf0 s TYR 83 Ca 0.04 -1.15 -0.05 0.00 -1.01 0.00 0.00 57.07 54.90 1uf0 s TYR 83 Cb -0.04 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1uf0 s TYR 83 CO -0.00 -0.39 0.01 0.08 -1.11 0.00 0.00 175.55 174.14 1uf0 s VAL 84 N -3.89 4.21 -0.23 0.71 1.01 0.10 -1.00 120.40 121.31 1uf0 s VAL 84 Ca 0.24 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 1uf0 s VAL 84 Cb 0.07 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1uf0 s VAL 84 CO 0.03 0.45 1.01 0.00 0.00 0.00 0.00 175.10 176.59 1uf0 s GLY 86 N 1.21 1.55 0.00 0.00 0.00 -0.53 -3.22 107.32 106.33 1uf0 s GLY 86 Ca 0.43 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1uf0 s GLY 86 CO 0.07 -1.78 0.00 -1.26 0.00 0.00 0.00 173.10 170.13 1uf0 n SER 87 N -0.44 0.00 -1.33 1.64 2.88 -1.26 -2.71 113.62 112.40 1uf0 n SER 87 Ca -0.07 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1uf0 n SER 87 Cb 0.61 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.15 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 -2.49 0.77 -4.25 2.46 -5.35 -1.26 -4.84 119.36 104.40 1uf0 n ILE 88 Ca 0.00 -1.84 -0.18 0.00 -0.27 0.00 0.00 62.75 60.46 1uf0 n ILE 88 Cb 0.00 0.60 -0.11 0.00 -1.74 0.00 0.00 39.64 38.39 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 -1.24 1.06 0.72 6.28 1.03 -1.26 -5.15 118.70 120.14 1uf0 s GLU 89 Ca 0.35 -1.28 -0.13 0.00 0.03 0.00 0.00 54.97 53.94 1uf0 s GLU 89 Cb 0.38 -0.92 0.03 0.00 -0.80 0.00 0.00 34.13 32.83 1uf0 s GLU 89 CO -0.13 0.17 1.11 -1.25 -1.33 0.00 0.00 175.26 173.84 1uf0 s PRO 90 N -2.81 2.45 -0.64 -4.83 0.04 -1.26 -4.91 135.00 123.03 1uf0 s PRO 90 Ca 0.11 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 1uf0 s PRO 90 Cb -0.04 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1uf0 s PRO 90 CO 0.03 -1.52 1.83 0.12 0.04 0.00 0.00 177.00 177.50 1uf0 s PHE 91 N -2.52 1.71 -0.31 0.56 2.19 -1.26 -4.95 117.98 113.39 1uf0 s PHE 91 Ca 0.66 0.72 -0.21 0.00 0.33 0.00 0.00 56.93 58.42 1uf0 s PHE 91 Cb -0.20 -4.12 -0.00 0.00 -1.31 0.00 0.00 43.02 37.39 1uf0 s PHE 91 CO 0.48 -2.25 0.69 0.15 1.83 0.00 0.00 175.22 176.11 1uf0 s LYS 92 N 6.96 3.89 -0.61 10.12 1.02 -1.26 -5.01 119.74 134.85 1uf0 s LYS 92 Ca 0.65 0.37 -0.28 0.00 0.02 0.00 0.00 55.97 56.73 1uf0 s LYS 92 Cb -0.12 -3.74 0.03 0.00 -0.52 0.00 0.00 37.83 33.48 1uf0 s LYS 92 CO 0.19 -0.64 1.21 0.21 -0.92 0.00 0.00 175.35 175.40 1uf0 s LYS 93 N 2.76 3.45 0.11 1.68 2.20 -1.26 -4.57 119.74 124.12 1uf0 s LYS 93 Ca 0.28 0.16 0.09 0.00 -0.36 0.00 0.00 55.97 56.14 1uf0 s LYS 93 Cb -0.14 -4.05 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 1uf0 s LYS 93 CO 0.13 -1.77 -0.23 -0.51 -0.36 0.00 0.00 175.35 172.60 1uf0 s LEU 94 N 5.11 2.30 -0.90 5.43 1.43 -1.26 -5.07 118.68 125.73 1uf0 s LEU 94 Ca 0.41 -0.71 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1uf0 s LEU 94 Cb -0.08 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1uf0 s LEU 94 CO 0.23 0.11 1.72 -1.83 0.23 0.00 0.00 176.35 176.82 1uf0 s GLU 95 N -1.95 2.95 -0.11 1.70 1.03 -1.26 -4.74 118.70 116.33 1uf0 s GLU 95 Ca 0.10 -0.47 -0.06 0.00 0.03 0.00 0.00 54.97 54.56 1uf0 s GLU 95 Cb -0.10 -5.03 -0.27 0.00 -0.80 0.00 0.00 34.13 27.93 1uf0 s GLU 95 CO 0.05 -2.83 0.42 1.88 -1.33 0.00 0.00 175.26 173.44 1uf0 h TYR 96 N 11.08 0.49 0.00 4.83 0.05 -1.93 -3.35 116.97 128.14 1uf0 h TYR 96 Ca 0.07 -0.36 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 1uf0 h TYR 96 Cb 1.03 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1uf0 h TYR 96 CO 1.21 1.74 -0.10 1.79 -1.05 0.00 0.00 178.16 181.76 1uf0 h THR 97 N 0.07 0.47 -0.93 -2.88 1.35 -1.88 -2.79 112.91 106.33 1uf0 h THR 97 Ca -0.41 -0.48 0.13 0.00 -0.55 0.00 0.00 66.41 65.11 1uf0 h THR 97 Cb 2.04 1.33 -0.09 0.00 -1.73 0.00 0.00 68.15 69.70 1uf0 h THR 97 CO 0.10 0.10 0.55 0.11 -0.25 0.00 0.00 175.52 176.12 1uf0 h LYS 98 N 0.00 0.80 -0.99 4.72 1.79 -1.96 0.63 116.57 121.56 1uf0 h LYS 98 Ca -0.00 -0.05 -0.48 0.00 -2.18 0.00 0.00 60.65 57.94 1uf0 h LYS 98 Cb 0.32 -0.18 -0.28 0.00 -1.58 0.00 0.00 32.23 30.50 1uf0 h LYS 98 CO 0.01 0.53 0.60 0.09 -1.08 0.00 0.00 179.45 179.61 1uf0 n ASN 99 N -4.73 3.76 -3.79 0.86 3.02 -1.05 -4.92 115.26 108.41 1uf0 n ASN 99 Ca 0.18 -3.50 -0.11 0.00 -0.03 0.00 0.00 54.58 51.12 1uf0 n ASN 99 Cb 0.40 -0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 38.67 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 -3.10 0.09 0.08 2.41 1.01 0.21 -4.86 120.40 116.24 1uf0 s VAL 100 Ca 0.54 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1uf0 s VAL 100 Cb 0.45 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1uf0 s VAL 100 CO 0.11 -0.39 -0.23 0.20 0.00 0.00 0.00 175.10 174.78 1uf0 s ASN 101 N -1.94 2.80 -0.99 3.32 0.02 -1.26 -4.85 114.94 112.04 1uf0 s ASN 101 Ca -0.07 -0.62 -0.09 0.00 -1.02 0.00 0.00 52.86 51.06 1uf0 s ASN 101 Cb -0.02 -0.21 -0.07 0.00 0.02 0.00 0.00 41.25 40.98 1uf0 s ASN 101 CO -0.02 0.16 2.17 -0.81 0.02 0.00 0.00 177.10 178.61 1uf0 n PRO 102 N 1.44 2.18 -1.71 -0.60 -0.04 -1.26 -3.98 135.00 131.03 1uf0 n PRO 102 Ca -0.18 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1uf0 n PRO 102 Cb 0.53 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.40 1uf0 n PRO 102 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1uf0 n ASN 103 N 4.81 0.48 -0.07 3.54 4.05 -1.26 -4.87 115.26 121.95 1uf0 n ASN 103 Ca 0.49 -2.02 -0.05 0.00 0.45 0.00 0.00 54.58 53.45 1uf0 n ASN 103 Cb 0.20 -0.13 -0.13 0.00 1.23 0.00 0.00 39.78 40.95 1uf0 n ASN 103 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 1uf0 n TRP 104 N 0.05 0.00 -2.49 1.20 4.27 -1.26 -4.59 117.44 114.62 1uf0 n TRP 104 Ca -0.03 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.30 1uf0 n TRP 104 Cb 0.97 -0.74 -0.00 0.00 -1.36 0.00 0.00 31.31 30.18 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 -2.53 4.88 0.02 -0.67 2.88 -1.26 -4.53 113.62 112.42 1uf0 n SER 105 Ca -0.23 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 53.59 1uf0 n SER 105 Cb 0.94 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.46 0.04 0.01 2.46 0.31 -1.26 -4.92 118.33 114.51 1uf0 n VAL 106 Ca 0.39 0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.55 1uf0 n VAL 106 Cb 0.60 -0.69 -0.14 0.00 -0.91 0.00 0.00 33.84 32.71 1uf0 n VAL 106 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1uf0 h ASN 107 N 0.00 0.35 -3.90 4.52 -1.24 -1.84 -3.45 115.58 110.02 1uf0 h ASN 107 Ca 0.00 -0.93 -0.49 0.00 0.71 0.00 0.00 56.30 55.59 1uf0 h ASN 107 Cb 0.16 -0.11 0.02 0.00 0.73 0.00 0.00 38.32 39.11 1uf0 h ASN 107 CO 0.00 1.25 0.44 0.68 -1.29 0.00 0.00 177.43 178.50 1uf0 s VAL 108 N -2.54 3.61 -0.08 2.57 -7.23 -1.26 -4.95 120.40 110.51 1uf0 s VAL 108 Ca -0.15 1.39 0.12 0.00 -1.81 0.00 0.00 61.98 61.53 1uf0 s VAL 108 Cb 0.00 -3.80 0.24 0.00 0.56 0.00 0.00 36.38 33.39 1uf0 s VAL 108 CO 0.79 0.16 1.15 1.17 -0.31 0.00 0.00 175.10 178.06 1uf0 n LYS 109 N 0.46 0.40 -2.70 4.82 3.00 -1.26 -4.87 118.16 118.00 1uf0 n LYS 109 Ca 0.02 -1.59 -0.01 0.00 -0.00 0.00 0.00 58.31 56.73 1uf0 n LYS 109 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.63 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 -0.17-11.67 -2.62 3.15 -1.04 -1.26 -4.66 114.28 96.00 1uf0 n THR 110 Ca -0.13 1.67 0.02 0.00 -2.04 0.00 0.00 64.05 63.57 1uf0 n THR 110 Cb 0.87 -6.92 0.03 0.00 -1.82 0.00 0.00 70.33 62.49 1uf0 n THR 110 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1uf0 n SER 111 N 0.53 1.05 0.00 8.00 3.41 -1.26 -4.86 113.62 120.49 1uf0 n SER 111 Ca 0.02 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1uf0 n SER 111 Cb 0.07 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1uf0 n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uf0 n GLY 112 N -0.05 -1.21 0.24 5.00 0.00 -1.26 -5.06 105.19 102.85 1uf0 n GLY 112 Ca 0.04 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 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 0.72 -3.32 1.61 0.13 -2.03 -3.49 132.00 125.62 1uf0 h PRO 113 Ca 0.00 -0.39 0.38 0.00 -0.87 0.00 0.00 66.00 65.12 1uf0 h PRO 113 Cb 0.00 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.02 1uf0 h PRO 113 CO 0.00 1.01 -0.74 0.43 -0.23 0.00 0.00 178.00 178.47 1uf0 n SER 114 N -4.03 -8.69 0.07 1.44 7.64 -1.26 -4.99 113.62 103.80 1uf0 n SER 114 Ca -0.02 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1uf0 n SER 114 Cb 0.55 -4.56 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 1uf0 n SER 114 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uf0 n SER 115 N -4.30 -0.29 0.00 6.43 2.88 -1.26 -5.27 113.62 111.81 1uf0 n SER 115 Ca -0.02 0.24 0.04 0.00 -1.33 0.00 0.00 58.87 57.81 1uf0 n SER 115 Cb 0.67 0.40 0.25 0.00 -0.75 0.00 0.00 64.21 64.78 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42