#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 -0.68 -0.09 1.61 2.88 -1.26 -4.95 113.62 111.13 1uf0 n SER 2 Ca 0.00 -2.03 -0.22 0.00 -1.33 0.00 0.00 58.87 55.29 1uf0 n SER 2 Cb 0.00 0.24 -0.12 0.00 -0.75 0.00 0.00 64.21 63.58 1uf0 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uf0 n SER 3 N -0.14 2.00 -3.60 -3.46 7.64 -1.26 -5.08 113.62 109.72 1uf0 n SER 3 Ca -0.21 0.12 0.01 0.00 1.01 0.00 0.00 58.87 59.80 1uf0 n SER 3 Cb 0.79 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.30 1uf0 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uf0 s GLY 4 N -5.86 -0.37 -0.45 0.23 0.00 -1.26 -5.01 107.32 94.60 1uf0 s GLY 4 Ca -0.32 1.34 0.03 0.00 0.00 0.00 0.00 44.72 45.78 1uf0 s GLY 4 CO 0.62 0.37 1.88 1.44 0.00 0.00 0.00 173.10 177.42 1uf0 n SER 5 N -0.28 4.12 -0.04 1.64 7.64 -1.26 -4.19 113.62 121.25 1uf0 n SER 5 Ca -0.03 -3.53 -0.05 0.00 1.01 0.00 0.00 58.87 56.26 1uf0 n SER 5 Cb 0.61 -0.84 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.02 3.23 -1.76 6.43 7.64 -1.26 -5.02 113.62 121.86 1uf0 n SER 6 Ca 0.57 -0.03 -0.17 0.00 1.01 0.00 0.00 58.87 60.26 1uf0 n SER 6 Cb 1.51 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 64.95 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 2.80 0.13 2.74 0.23 0.00 -1.26 -4.96 105.19 104.86 1uf0 n GLY 7 Ca -0.14 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1uf0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf0 s LYS 8 N -4.51 0.46 -0.09 1.61 1.02 -1.26 -5.11 119.74 111.85 1uf0 s LYS 8 Ca 0.00 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.33 1uf0 s LYS 8 Cb 0.00 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.53 1uf0 s LYS 8 CO 0.00 -1.11 0.39 0.15 -0.92 0.00 0.00 175.35 173.87 1uf0 s LYS 9 N 1.91 4.14 -0.08 1.68 1.02 -1.26 -4.98 119.74 122.17 1uf0 s LYS 9 Ca 0.13 0.32 -0.28 0.00 0.02 0.00 0.00 55.97 56.16 1uf0 s LYS 9 Cb -0.15 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1uf0 s LYS 9 CO -0.19 0.39 0.91 0.00 -0.92 0.00 0.00 175.35 175.53 1uf0 s ALA 10 N -0.08 3.34 -0.29 5.17 0.00 -1.26 -4.74 121.76 123.89 1uf0 s ALA 10 Ca 0.22 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 1uf0 s ALA 10 Cb -0.15 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1uf0 s ALA 10 CO 0.09 -0.40 0.69 0.21 0.00 0.00 0.00 175.76 176.35 1uf0 s LYS 11 N 1.50 3.97 -0.79 0.00 2.20 -0.89 -4.83 119.74 120.90 1uf0 s LYS 11 Ca 0.46 0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 56.31 1uf0 s LYS 11 Cb -0.19 -3.71 0.08 0.00 -1.51 0.00 0.00 37.83 32.50 1uf0 s LYS 11 CO 0.20 -0.58 1.13 0.15 -0.36 0.00 0.00 175.35 175.89 1uf0 s LYS 12 N 2.72 3.31 -0.11 4.03 -0.14 -1.26 -0.20 119.74 128.10 1uf0 s LYS 12 Ca 0.28 -1.00 -0.01 0.00 -1.36 0.00 0.00 55.97 53.88 1uf0 s LYS 12 Cb -0.15 -4.56 -0.03 0.00 -1.68 0.00 0.00 37.83 31.42 1uf0 s LYS 12 CO 0.11 -1.92 -0.08 0.14 -0.76 0.00 0.00 175.35 172.84 1uf0 s VAL 13 N 4.15 3.56 0.39 3.17 -7.23 -1.01 -0.77 120.40 122.67 1uf0 s VAL 13 Ca 0.30 -0.50 0.07 0.00 -1.81 0.00 0.00 61.98 60.05 1uf0 s VAL 13 Cb -0.10 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1uf0 s VAL 13 CO 0.03 0.55 0.52 -0.60 -0.31 0.00 0.00 175.10 175.29 1uf0 s ARG 14 N -0.15 2.93 -0.20 4.82 3.52 -0.77 0.07 118.95 129.16 1uf0 s ARG 14 Ca 0.01 -1.16 -0.08 0.00 -0.13 0.00 0.00 55.73 54.37 1uf0 s ARG 14 Cb -0.13 -2.77 0.09 0.00 -1.56 0.00 0.00 34.95 30.58 1uf0 s ARG 14 CO 0.03 -0.14 0.44 -0.06 -0.81 0.00 0.00 175.30 174.76 1uf0 s PHE 15 N -2.29 -0.79 0.45 5.12 0.08 -0.80 -3.26 117.98 116.49 1uf0 s PHE 15 Ca 0.51 1.54 0.07 0.00 0.12 0.00 0.00 56.93 59.17 1uf0 s PHE 15 Cb -0.10 0.34 -0.02 0.00 -0.57 0.00 0.00 43.02 42.68 1uf0 s PHE 15 CO 0.32 -0.46 0.31 0.71 -0.10 0.00 0.00 175.22 176.00 1uf0 s TYR 16 N 2.31 2.38 -0.09 0.36 2.02 -1.00 -2.89 117.35 120.45 1uf0 s TYR 16 Ca -0.04 -0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 55.91 1uf0 s TYR 16 Cb -0.11 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1uf0 s TYR 16 CO -0.13 -0.10 0.32 0.50 -1.57 0.00 0.00 175.55 174.57 1uf0 s ARG 17 N -4.09 3.97 -0.71 -0.62 3.52 -1.26 -1.27 118.95 118.49 1uf0 s ARG 17 Ca 0.42 0.20 -0.26 0.00 -0.13 0.00 0.00 55.73 55.96 1uf0 s ARG 17 Cb -0.00 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1uf0 s ARG 17 CO 0.24 0.52 1.69 1.21 -0.81 0.00 0.00 175.30 178.14 1uf0 s ASN 18 N -0.43 5.58 0.00 -2.12 2.47 -1.19 -2.80 114.94 116.45 1uf0 s ASN 18 Ca 0.20 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.35 1uf0 s ASN 18 Cb -0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1uf0 s ASN 18 CO 0.08 -2.22 0.00 0.61 -3.72 0.00 0.00 177.10 171.85 1uf0 n GLY 19 N 5.84 0.97 3.43 1.21 0.00 -1.26 -4.91 105.19 110.48 1uf0 n GLY 19 Ca 0.19 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.58 6.26 0.11 1.61 2.15 -1.12 -4.85 116.67 120.25 1uf0 s ASP 20 Ca 0.00 -1.30 0.08 0.00 0.43 0.00 0.00 52.55 51.76 1uf0 s ASP 20 Cb 0.00 -2.39 -0.20 0.00 -0.30 0.00 0.00 42.92 40.03 1uf0 s ASP 20 CO 0.00 -1.29 1.23 0.08 -0.17 0.00 0.00 175.17 175.02 1uf0 h ARG 21 N 9.33 0.00 -0.04 4.34 0.11 -1.97 -3.26 114.38 122.89 1uf0 h ARG 21 Ca -0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.88 1uf0 h ARG 21 Cb 1.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 1uf0 h ARG 21 CO 1.15 0.93 0.03 1.88 0.10 0.00 0.00 179.97 184.06 1uf0 h TYR 22 N 0.00 0.05 -2.62 4.08 -1.99 -1.97 -3.43 116.97 111.09 1uf0 h TYR 22 Ca -0.03 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.16 1uf0 h TYR 22 Cb 1.77 -0.02 0.06 0.00 2.00 0.00 0.00 36.73 40.55 1uf0 h TYR 22 CO 0.00 0.03 0.96 0.34 -0.00 0.00 0.00 178.16 179.50 1uf0 n PHE 23 N -4.53 2.67 0.16 4.88 -0.00 -1.23 -4.93 117.46 114.48 1uf0 n PHE 23 Ca -0.02 0.10 -0.11 0.00 -0.00 0.00 0.00 57.45 57.42 1uf0 n PHE 23 Cb 0.09 -2.65 -0.06 0.00 -0.00 0.00 0.00 39.48 36.86 1uf0 n PHE 23 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1uf0 h LYS 24 N 6.47 -0.44 0.00 -4.13 1.57 -1.91 -3.48 116.57 114.65 1uf0 h LYS 24 Ca -0.44 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1uf0 h LYS 24 Cb 1.21 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1uf0 h LYS 24 CO 0.93 -0.15 0.00 0.41 -0.57 0.00 0.00 179.45 180.07 1uf0 n GLY 25 N 0.23 4.56 3.28 3.86 0.00 -1.26 -4.92 105.19 110.93 1uf0 n GLY 25 Ca -0.08 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.01 2.57 0.12 -0.61 2.07 -1.14 -4.98 121.20 117.22 1uf0 s ILE 26 Ca 0.00 -0.82 -0.14 0.00 -1.41 0.00 0.00 60.65 58.28 1uf0 s ILE 26 Cb 0.00 -2.05 -0.07 0.00 0.13 0.00 0.00 42.46 40.47 1uf0 s ILE 26 CO 0.00 0.53 0.52 -0.69 -1.91 0.00 0.00 174.94 173.39 1uf0 s VAL 27 N 0.56 4.90 0.29 4.00 1.01 -1.26 -1.90 120.40 127.98 1uf0 s VAL 27 Ca -0.11 0.79 0.05 0.00 0.00 0.00 0.00 61.98 62.72 1uf0 s VAL 27 Cb -0.16 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1uf0 s VAL 27 CO 0.04 0.29 -0.01 -0.31 0.00 0.00 0.00 175.10 175.10 1uf0 s TYR 28 N -1.41 1.91 -0.40 5.22 1.51 0.11 -4.98 117.35 119.30 1uf0 s TYR 28 Ca 0.36 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1uf0 s TYR 28 Cb -0.15 -1.15 0.13 0.00 -0.11 0.00 0.00 41.96 40.68 1uf0 s TYR 28 CO 0.19 0.15 0.21 0.00 -1.11 0.00 0.00 175.55 174.99 1uf0 s ALA 29 N -3.15 1.83 -0.99 3.71 0.00 -1.25 -2.39 121.76 119.51 1uf0 s ALA 29 Ca 0.31 -2.31 -0.23 0.00 0.00 0.00 0.00 51.96 49.73 1uf0 s ALA 29 Cb 0.06 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1uf0 s ALA 29 CO 0.13 -2.01 1.78 0.42 0.00 0.00 0.00 175.76 176.08 1uf0 s ILE 30 N 0.70 3.64 0.35 0.00 -1.09 0.72 -4.74 121.20 120.79 1uf0 s ILE 30 Ca 0.16 -0.64 0.09 0.00 -2.23 0.00 0.00 60.65 58.03 1uf0 s ILE 30 Cb -0.23 -4.46 -0.07 0.00 -1.58 0.00 0.00 42.46 36.12 1uf0 s ILE 30 CO -0.04 -1.32 -0.07 -0.44 -1.23 0.00 0.00 174.94 171.84 1uf0 s SER 31 N 6.70 3.61 0.42 3.58 0.01 -1.26 -2.09 113.70 124.67 1uf0 s SER 31 Ca 0.61 -1.23 0.18 0.00 1.31 0.00 0.00 55.95 56.82 1uf0 s SER 31 Cb -0.03 -0.33 0.95 0.00 0.21 0.00 0.00 66.02 66.82 1uf0 s SER 31 CO -0.02 -0.28 1.90 1.55 0.41 0.00 0.00 173.24 176.81 1uf0 h PRO 32 N 2.01 0.00 -0.98 12.44 0.13 -1.89 -1.73 132.00 141.98 1uf0 h PRO 32 Ca -0.42 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 1uf0 h PRO 32 Cb 1.25 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.07 1uf0 h PRO 32 CO 0.72 0.28 0.66 -0.25 -0.23 0.00 0.00 178.00 179.18 1uf0 n ASP 33 N -3.93 4.17 0.04 1.44 8.00 -1.26 -4.44 116.55 120.58 1uf0 n ASP 33 Ca -0.02 -3.64 0.00 0.00 0.71 0.00 0.00 54.79 51.85 1uf0 n ASP 33 Cb 0.35 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1uf0 n ASP 33 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1uf0 n ARG 34 N -1.12 0.00 -4.44 -1.24 1.74 -1.00 -5.10 116.66 105.50 1uf0 n ARG 34 Ca 0.60 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.42 1uf0 n ARG 34 Cb 1.54 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 32.81 1uf0 n ARG 34 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uf0 s PHE 35 N -2.00 1.60 -0.17 -1.55 0.08 -0.68 -4.98 117.98 110.28 1uf0 s PHE 35 Ca 0.00 -0.67 0.13 0.00 0.12 0.00 0.00 56.93 56.51 1uf0 s PHE 35 Cb 0.00 -1.19 -0.23 0.00 -0.57 0.00 0.00 43.02 41.02 1uf0 s PHE 35 CO 0.00 -0.37 0.17 2.89 -0.10 0.00 0.00 175.22 177.81 1uf0 n ARG 36 N 4.10 0.68 -4.18 0.44 1.85 -1.26 -4.55 116.66 113.74 1uf0 n ARG 36 Ca -0.20 0.09 -0.16 0.00 -1.00 0.00 0.00 57.85 56.58 1uf0 n ARG 36 Cb 0.51 -1.59 -0.06 0.00 -1.05 0.00 0.00 32.46 30.27 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1uf0 s SER 37 N -5.85 1.17 0.33 2.89 1.04 -1.26 -5.04 113.70 106.97 1uf0 s SER 37 Ca -0.13 -1.59 0.09 0.00 0.48 0.00 0.00 55.95 54.80 1uf0 s SER 37 Cb 0.07 0.60 0.57 0.00 0.10 0.00 0.00 66.02 67.36 1uf0 s SER 37 CO 0.79 -1.17 1.76 0.15 0.98 0.00 0.00 173.24 175.76 1uf0 h PHE 38 N 2.16 0.17 -0.42 5.02 3.57 -1.96 -3.04 116.94 122.45 1uf0 h PHE 38 Ca -0.27 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1uf0 h PHE 38 Cb 1.24 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1uf0 h PHE 38 CO 1.49 0.51 0.27 0.93 -2.23 0.00 0.00 178.31 179.28 1uf0 h GLU 39 N 0.13 0.55 -0.21 1.11 5.08 -1.96 0.18 114.58 119.46 1uf0 h GLU 39 Ca 0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1uf0 h GLU 39 Cb 0.73 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1uf0 h GLU 39 CO 0.05 0.37 0.14 0.00 -1.00 0.00 0.00 179.01 178.58 1uf0 h ALA 40 N 1.15 1.87 0.04 3.43 0.00 -1.95 0.14 119.26 123.94 1uf0 h ALA 40 Ca 0.15 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1uf0 h ALA 40 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1uf0 h ALA 40 CO -0.03 0.11 -1.23 1.25 0.00 0.00 0.00 179.25 179.35 1uf0 h LEU 41 N 0.27 0.14 -0.19 0.00 5.85 -1.36 -3.18 115.31 116.84 1uf0 h LEU 41 Ca 0.08 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1uf0 h LEU 41 Cb -0.00 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1uf0 h LEU 41 CO -0.02 1.13 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.86 1uf0 h LEU 42 N 0.02 0.57 -1.45 2.25 3.38 0.20 -2.28 115.31 118.00 1uf0 h LEU 42 Ca -0.11 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1uf0 h LEU 42 Cb 1.88 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 1uf0 h LEU 42 CO 0.14 0.98 0.14 0.00 0.09 0.00 0.00 178.44 179.79 1uf0 h ALA 43 N 0.61 1.57 -0.08 1.53 0.00 -1.12 -1.89 119.26 119.88 1uf0 h ALA 43 Ca 0.02 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1uf0 h ALA 43 Cb 0.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1uf0 h ALA 43 CO 0.06 0.34 -0.73 0.22 0.00 0.00 0.00 179.25 179.15 1uf0 h ASP 44 N 0.51 0.46 -0.49 0.00 3.58 -1.52 -3.02 116.42 115.94 1uf0 h ASP 44 Ca 0.13 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.16 1uf0 h ASP 44 Cb 0.11 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1uf0 h ASP 44 CO -0.01 1.04 -0.13 -0.07 -2.88 0.00 0.00 179.24 177.18 1uf0 h LEU 45 N 0.27 0.99 -1.40 2.28 3.38 -0.80 -2.70 115.31 117.34 1uf0 h LEU 45 Ca -0.03 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1uf0 h LEU 45 Cb 1.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1uf0 h LEU 45 CO 0.12 1.12 -0.21 0.74 0.09 0.00 0.00 178.44 180.30 1uf0 h THR 46 N 0.87 1.19 -0.03 0.22 2.02 -1.36 0.35 112.91 116.17 1uf0 h THR 46 Ca 0.13 -0.89 -0.14 0.00 0.77 0.00 0.00 66.41 66.29 1uf0 h THR 46 Cb 0.69 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1uf0 h THR 46 CO 0.05 0.26 -0.62 -0.09 0.37 0.00 0.00 175.52 175.49 1uf0 h ARG 47 N 0.13 0.11 0.00 6.66 2.43 -1.37 -3.35 114.38 119.00 1uf0 h ARG 47 Ca 0.02 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1uf0 h ARG 47 Cb 0.44 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1uf0 h ARG 47 CO 0.03 0.70 0.00 0.25 -1.51 0.00 0.00 179.97 179.44 1uf0 n THR 48 N -3.83 0.00 -2.72 0.20 -2.24 -0.90 -4.78 114.28 100.01 1uf0 n THR 48 Ca -0.02 0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.60 1uf0 n THR 48 Cb 0.62 -1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 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 -3.68 4.20 -0.30 3.22 1.43 0.12 -4.88 118.68 118.80 1uf0 s LEU 49 Ca 0.00 -1.92 -0.20 0.00 -1.03 0.00 0.00 54.13 50.98 1uf0 s LEU 49 Cb 0.00 -2.50 0.19 0.00 0.03 0.00 0.00 46.19 43.91 1uf0 s LEU 49 CO 0.00 -1.25 1.28 -0.55 0.23 0.00 0.00 176.35 176.06 1uf0 s SER 50 N 4.24 -0.15 -0.00 2.29 0.15 -1.26 -4.40 113.70 114.57 1uf0 s SER 50 Ca 0.42 0.25 -0.07 0.00 0.70 0.00 0.00 55.95 57.25 1uf0 s SER 50 Cb -0.01 0.68 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 1uf0 s SER 50 CO -0.07 -0.04 0.33 -0.67 1.20 0.00 0.00 173.24 173.99 1uf0 n ASP 51 N 2.51 -0.31 -2.24 5.45 2.03 -1.14 -4.98 116.55 117.88 1uf0 n ASP 51 Ca -0.14 -1.07 -0.29 0.00 0.52 0.00 0.00 54.79 53.81 1uf0 n ASP 51 Cb 0.57 0.48 0.06 0.00 -0.72 0.00 0.00 41.12 41.50 1uf0 n ASP 51 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1uf0 n ASN 52 N -0.40 7.26 0.00 1.67 2.85 -1.26 -2.17 115.26 123.20 1uf0 n ASN 52 Ca 0.01 -3.54 0.00 0.00 -0.11 0.00 0.00 54.58 50.94 1uf0 n ASN 52 Cb 0.15 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.15 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1uf0 n VAL 53 N -0.41 0.00 0.02 3.44 0.31 -1.26 -4.97 118.33 115.46 1uf0 n VAL 53 Ca 0.51 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.84 1uf0 n VAL 53 Cb 0.60 -0.73 -0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 -2.49 0.56 -4.13 4.52 3.02 -1.26 -4.96 115.26 110.53 1uf0 n ASN 54 Ca 0.00 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 1uf0 n ASN 54 Cb 0.34 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 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 -5.99 5.53 0.36 3.41 1.02 -1.25 -4.90 118.68 116.85 1uf0 s LEU 55 Ca -0.01 -3.09 0.15 0.00 0.02 0.00 0.00 54.13 51.20 1uf0 s LEU 55 Cb 0.00 -1.92 0.66 0.00 0.02 0.00 0.00 46.19 44.96 1uf0 s LEU 55 CO 0.01 -0.34 1.75 1.55 0.02 0.00 0.00 176.35 179.34 1uf0 h PRO 56 N 6.82 0.00 0.03 1.29 0.13 -1.81 -2.98 132.00 135.48 1uf0 h PRO 56 Ca 0.05 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.92 1uf0 h PRO 56 Cb 0.92 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 1uf0 h PRO 56 CO 0.76 0.42 -1.36 1.96 -0.23 0.00 0.00 178.00 179.55 1uf0 h GLN 57 N 0.00 0.06 0.00 0.86 7.50 -1.91 -3.46 115.11 118.17 1uf0 h GLN 57 Ca -0.00 -0.11 0.00 0.00 0.50 0.00 0.00 58.65 59.04 1uf0 h GLN 57 Cb 0.84 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.41 1uf0 h GLN 57 CO 0.05 0.87 0.00 0.41 -1.50 0.00 0.00 178.83 178.66 1uf0 n GLY 58 N 1.50 0.43 3.88 3.46 0.00 -1.16 -5.06 105.19 108.23 1uf0 n GLY 58 Ca -0.10 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.40 5.09 0.36 1.61 0.11 -1.26 -4.58 120.40 121.33 1uf0 s VAL 59 Ca 0.00 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1uf0 s VAL 59 Cb 0.00 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 1uf0 s VAL 59 CO 0.00 0.19 0.00 -1.14 -3.33 0.00 0.00 175.10 170.82 1uf0 n ARG 60 N 0.58 0.00 -3.75 1.54 0.00 -1.00 -4.97 116.66 109.06 1uf0 n ARG 60 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.43 1uf0 n ARG 60 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.86 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1uf0 s THR 61 N -1.92 4.19 -0.44 5.15 2.01 -1.25 -4.96 115.64 118.42 1uf0 s THR 61 Ca 0.00 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 1uf0 s THR 61 Cb 0.00 -3.04 0.07 0.00 0.01 0.00 0.00 72.50 69.54 1uf0 s THR 61 CO 0.00 0.23 0.32 -0.63 -0.69 0.00 0.00 174.62 173.85 1uf0 s ILE 62 N 1.57 4.73 0.65 1.82 1.01 -1.26 -0.71 121.20 129.01 1uf0 s ILE 62 Ca 0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 60.65 59.48 1uf0 s ILE 62 Cb -0.16 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1uf0 s ILE 62 CO 0.03 -0.51 0.92 -0.31 0.00 0.00 0.00 174.94 175.07 1uf0 s TYR 63 N 1.54 2.87 0.53 3.97 2.02 -0.68 -0.22 117.35 127.38 1uf0 s TYR 63 Ca 0.03 0.25 -0.09 0.00 -0.37 0.00 0.00 57.07 56.89 1uf0 s TYR 63 Cb -0.23 -3.02 0.13 0.00 -0.40 0.00 0.00 41.96 38.43 1uf0 s TYR 63 CO 0.05 -1.21 0.56 0.25 -1.57 0.00 0.00 175.55 173.63 1uf0 n THR 64 N -2.70 0.00 0.07 -0.71 -2.24 -1.01 0.10 114.28 107.79 1uf0 n THR 64 Ca 0.08 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 1uf0 n THR 64 Cb 0.60 -1.37 0.17 0.00 -2.10 0.00 0.00 70.33 67.63 1uf0 n THR 64 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1uf0 h ILE 65 N -1.79 1.33 0.00 2.28 6.09 -1.89 -3.18 117.51 120.35 1uf0 h ILE 65 Ca -0.20 -1.66 -0.32 0.00 -1.37 0.00 0.00 64.86 61.31 1uf0 h ILE 65 Cb 0.58 1.74 -0.06 0.00 0.47 0.00 0.00 36.82 39.55 1uf0 h ILE 65 CO 0.13 0.50 -2.21 0.47 -3.07 0.00 0.00 178.15 173.97 1uf0 n ASP 66 N -3.98 2.13 0.00 2.19 9.92 -1.26 -4.83 116.55 120.72 1uf0 n ASP 66 Ca -0.02 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1uf0 n ASP 66 Cb 0.53 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 1uf0 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uf0 n GLY 67 N 2.41 1.91 0.15 0.44 0.00 -1.25 -4.95 105.19 103.89 1uf0 n GLY 67 Ca -0.37 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1uf0 n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uf0 h LEU 68 N 0.00 0.58 -8.46 0.99 3.38 -1.96 -3.47 115.31 106.37 1uf0 h LEU 68 Ca 0.00 -0.49 -0.19 0.00 0.09 0.00 0.00 57.88 57.28 1uf0 h LEU 68 Cb 0.00 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 40.46 1uf0 h LEU 68 CO 0.00 1.31 -0.31 -0.54 0.09 0.00 0.00 178.44 178.98 1uf0 s LYS 69 N -3.15 1.55 -0.08 1.13 1.02 -1.26 -5.07 119.74 113.88 1uf0 s LYS 69 Ca -0.06 -1.54 0.03 0.00 0.02 0.00 0.00 55.97 54.42 1uf0 s LYS 69 Cb 0.08 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.79 1uf0 s LYS 69 CO 0.88 -0.60 -0.20 -1.59 -0.92 0.00 0.00 175.35 172.92 1uf0 s LYS 70 N -3.78 2.51 0.14 1.68 0.00 -1.26 -2.41 119.74 116.61 1uf0 s LYS 70 Ca 0.31 -0.71 -0.30 0.00 0.00 0.00 0.00 55.97 55.27 1uf0 s LYS 70 Cb 0.02 -1.95 -0.07 0.00 0.00 0.00 0.00 37.83 35.83 1uf0 s LYS 70 CO 0.14 0.14 0.99 0.42 0.00 0.00 0.00 175.35 177.04 1uf0 s ILE 71 N 0.42 4.30 0.00 3.79 -1.09 0.70 -4.93 121.20 124.39 1uf0 s ILE 71 Ca -0.16 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.22 1uf0 s ILE 71 Cb -0.17 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1uf0 s ILE 71 CO 0.07 0.33 0.00 -0.24 -1.23 0.00 0.00 174.94 173.86 1uf0 n SER 72 N 2.55 1.65 -2.94 3.58 2.88 -1.26 -4.00 113.62 116.07 1uf0 n SER 72 Ca 0.02 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.47 1uf0 n SER 72 Cb 0.48 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -2.53 1.67 0.08 -3.46 7.64 -1.26 -4.92 113.62 110.84 1uf0 n SER 73 Ca 0.00 -1.65 -0.22 0.00 1.01 0.00 0.00 58.87 58.01 1uf0 n SER 73 Cb 0.37 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.61 -1.81 -3.43 3.38 -1.97 -3.33 115.31 108.76 1uf0 h LEU 74 Ca -0.12 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 56.97 1uf0 h LEU 74 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1uf0 h LEU 74 CO 0.19 1.74 0.10 0.44 0.09 0.00 0.00 178.44 181.00 1uf0 h ASP 75 N 0.11 0.19 -0.15 -0.43 5.19 -2.03 -1.36 116.42 117.94 1uf0 h ASP 75 Ca -0.33 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1uf0 h ASP 75 Cb 2.10 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.55 1uf0 h ASP 75 CO 0.19 0.15 0.09 1.56 -3.12 0.00 0.00 179.24 178.11 1uf0 h GLN 76 N 0.23 0.21 -7.32 3.56 4.20 -1.98 -3.43 115.11 110.57 1uf0 h GLN 76 Ca 0.06 -0.01 -0.45 0.00 0.06 0.00 0.00 58.65 58.31 1uf0 h GLN 76 Cb -0.01 -0.05 0.17 0.00 0.30 0.00 0.00 27.48 27.89 1uf0 h GLN 76 CO -0.01 0.15 0.17 -0.51 -0.67 0.00 0.00 178.83 177.95 1uf0 s LEU 77 N -9.21 1.49 0.06 1.46 1.43 -0.51 -5.05 118.68 108.35 1uf0 s LEU 77 Ca -0.06 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1uf0 s LEU 77 Cb 0.17 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 1uf0 s LEU 77 CO 0.69 -3.30 -0.06 -0.69 0.23 0.00 0.00 176.35 173.23 1uf0 s VAL 78 N -2.89 0.47 -0.57 -1.59 1.01 -1.26 -5.06 120.40 110.51 1uf0 s VAL 78 Ca 0.66 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 1uf0 s VAL 78 Cb -0.20 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1uf0 s VAL 78 CO 0.59 -0.74 1.79 -0.70 0.00 0.00 0.00 175.10 176.04 1uf0 s GLU 79 N -3.01 2.81 0.00 2.72 2.12 -1.26 -3.27 118.70 118.80 1uf0 s GLU 79 Ca 0.02 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.03 1uf0 s GLU 79 Cb 0.00 -4.33 0.00 0.00 0.26 0.00 0.00 34.13 30.06 1uf0 s GLU 79 CO -0.04 -2.52 0.00 0.41 -0.54 0.00 0.00 175.26 172.57 1uf0 n GLY 80 N 5.61 0.66 3.49 -1.50 0.00 0.05 -4.82 105.19 108.68 1uf0 n GLY 80 Ca 0.19 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.70 1.71 0.03 1.61 0.41 -1.11 -5.01 118.70 114.65 1uf0 s GLU 81 Ca 0.00 -1.94 0.08 0.00 -0.41 0.00 0.00 54.97 52.70 1uf0 s GLU 81 Cb 0.00 -1.12 -0.02 0.00 -1.78 0.00 0.00 34.13 31.21 1uf0 s GLU 81 CO 0.00 -0.11 -0.22 -1.12 -0.49 0.00 0.00 175.26 173.32 1uf0 s SER 82 N -3.54 2.65 -0.10 -0.19 0.01 -1.26 -1.85 113.70 109.43 1uf0 s SER 82 Ca 0.35 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 57.02 1uf0 s SER 82 Cb 0.08 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.10 1uf0 s SER 82 CO 0.15 0.21 0.25 -0.31 0.41 0.00 0.00 173.24 173.95 1uf0 s TYR 83 N -0.74 -0.29 -0.30 2.43 1.51 -1.20 -3.05 117.35 115.71 1uf0 s TYR 83 Ca 0.09 0.69 -0.20 0.00 -1.01 0.00 0.00 57.07 56.64 1uf0 s TYR 83 Cb -0.09 0.08 -0.01 0.00 -0.11 0.00 0.00 41.96 41.83 1uf0 s TYR 83 CO 0.01 -0.16 0.64 0.08 -1.11 0.00 0.00 175.55 175.02 1uf0 s VAL 84 N 0.40 4.94 -0.02 0.71 1.01 0.28 -2.38 120.40 125.35 1uf0 s VAL 84 Ca -0.02 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 1uf0 s VAL 84 Cb -0.04 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1uf0 s VAL 84 CO -0.02 -0.12 1.61 0.00 0.00 0.00 0.00 175.10 176.58 1uf0 n GLY 86 N 4.02 7.16 0.31 0.00 0.00 0.11 -3.20 105.19 113.59 1uf0 n GLY 86 Ca 0.16 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.00 0.00 1.61 2.88 -1.25 -2.38 113.62 114.47 1uf0 n SER 87 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uf0 n SER 87 Cb 0.00 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.50 0.00 -1.30 2.46 -6.64 -1.26 -4.56 119.36 106.57 1uf0 n ILE 88 Ca 0.00 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.63 1uf0 n ILE 88 Cb 0.00 -0.40 0.10 0.00 -1.44 0.00 0.00 39.64 37.90 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 1uf0 n GLU 89 N -2.17 0.44 -1.90 6.28 0.00 -1.26 -4.96 120.64 117.07 1uf0 n GLU 89 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 57.16 57.04 1uf0 n GLU 89 Cb 0.28 -2.32 0.04 0.00 0.00 0.00 0.00 31.44 29.44 1uf0 n GLU 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1uf0 s PRO 90 N -3.61 2.94 0.02 3.44 0.04 -1.26 -4.94 135.00 131.63 1uf0 s PRO 90 Ca 0.74 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1uf0 s PRO 90 Cb -0.33 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1uf0 s PRO 90 CO 0.50 -1.16 1.84 0.12 0.04 0.00 0.00 177.00 178.34 1uf0 s PHE 91 N -2.11 1.63 -0.21 0.56 2.19 -1.26 -4.97 117.98 113.81 1uf0 s PHE 91 Ca 0.70 -0.18 -0.09 0.00 0.33 0.00 0.00 56.93 57.69 1uf0 s PHE 91 Cb -0.22 -4.12 -0.05 0.00 -1.31 0.00 0.00 43.02 37.32 1uf0 s PHE 91 CO 0.37 -4.89 0.11 0.15 1.83 0.00 0.00 175.22 172.80 1uf0 s LYS 92 N 4.08 4.05 -0.54 10.12 1.02 -1.26 -5.05 119.74 132.15 1uf0 s LYS 92 Ca 0.82 -0.29 -0.28 0.00 0.02 0.00 0.00 55.97 56.24 1uf0 s LYS 92 Cb -0.40 -3.38 0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1uf0 s LYS 92 CO 0.37 0.18 1.13 0.21 -0.92 0.00 0.00 175.35 176.32 1uf0 s LYS 93 N 0.67 3.54 -0.01 1.68 2.36 -1.26 -4.81 119.74 121.90 1uf0 s LYS 93 Ca 0.06 0.25 0.00 0.00 -2.55 0.00 0.00 55.97 53.73 1uf0 s LYS 93 Cb -0.13 -3.99 0.01 0.00 -1.05 0.00 0.00 37.83 32.68 1uf0 s LYS 93 CO 0.01 -1.56 0.01 -0.51 1.55 0.00 0.00 175.35 174.86 1uf0 s LEU 94 N 4.63 1.58 -0.91 5.43 1.43 -1.26 -5.09 118.68 124.48 1uf0 s LEU 94 Ca 0.42 0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.30 1uf0 s LEU 94 Cb -0.08 -0.03 0.05 0.00 0.03 0.00 0.00 46.19 46.16 1uf0 s LEU 94 CO 0.26 -0.06 1.34 -1.61 0.23 0.00 0.00 176.35 176.51 1uf0 s GLU 95 N 0.49 3.45 -0.15 1.70 8.01 -1.26 -4.82 118.70 126.12 1uf0 s GLU 95 Ca -0.04 -0.91 -0.21 0.00 0.01 0.00 0.00 54.97 53.82 1uf0 s GLU 95 Cb -0.06 -4.91 -0.18 0.00 -4.31 0.00 0.00 34.13 24.67 1uf0 s GLU 95 CO -0.01 -2.13 0.41 1.88 0.01 0.00 0.00 175.26 175.42 1uf0 h TYR 96 N 9.76 0.00 -0.10 1.61 -1.99 -1.95 -3.34 116.97 120.97 1uf0 h TYR 96 Ca 0.03 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.79 1uf0 h TYR 96 Cb 1.03 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.75 1uf0 h TYR 96 CO 1.21 0.89 0.18 0.00 -0.00 0.00 0.00 178.16 180.44 1uf0 h THR 97 N -1.00 0.26 -0.68 -2.88 1.03 -1.88 -1.52 112.91 106.22 1uf0 h THR 97 Ca -0.10 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.47 1uf0 h THR 97 Cb 0.89 0.84 -0.04 0.00 -1.07 0.00 0.00 68.15 68.77 1uf0 h THR 97 CO -0.06 0.00 0.48 0.11 -0.01 0.00 0.00 175.52 176.04 1uf0 h LYS 98 N 0.00 0.16 -0.85 0.00 1.57 -1.96 0.31 116.57 115.79 1uf0 h LYS 98 Ca 0.05 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.53 1uf0 h LYS 98 Cb 0.40 -0.04 -0.17 0.00 0.08 0.00 0.00 32.23 32.51 1uf0 h LYS 98 CO -0.00 0.10 0.36 0.09 -0.57 0.00 0.00 179.45 179.43 1uf0 n ASN 99 N -4.40 4.36 -3.68 0.86 3.02 -0.57 -4.90 115.26 109.94 1uf0 n ASN 99 Ca 0.13 -3.22 -0.14 0.00 -0.03 0.00 0.00 54.58 51.32 1uf0 n ASN 99 Cb 0.64 -0.76 -0.08 0.00 -0.61 0.00 0.00 39.78 38.97 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 -2.85 0.01 0.01 2.41 1.01 0.11 -5.05 120.40 116.05 1uf0 s VAL 100 Ca 0.51 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1uf0 s VAL 100 Cb 0.42 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1uf0 s VAL 100 CO 0.12 -0.06 0.81 0.21 0.00 0.00 0.00 175.10 176.18 1uf0 s ASN 101 N -0.38 7.22 -1.21 3.32 2.47 -1.26 -4.85 114.94 120.24 1uf0 s ASN 101 Ca -0.05 1.46 -0.08 0.00 0.42 0.00 0.00 52.86 54.61 1uf0 s ASN 101 Cb -0.03 -2.49 -0.07 0.00 -1.45 0.00 0.00 41.25 37.21 1uf0 s ASN 101 CO 0.03 -0.08 2.45 -0.81 -3.72 0.00 0.00 177.10 174.97 1uf0 n PRO 102 N 3.27 2.74 -2.58 0.43 -0.04 -1.26 -4.17 135.00 133.37 1uf0 n PRO 102 Ca 0.00 -1.80 0.01 0.00 -0.04 0.00 0.00 63.50 61.67 1uf0 n PRO 102 Cb 0.51 -2.63 0.04 0.00 -0.04 0.00 0.00 33.50 31.38 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 4.13 1.46 -0.07 3.54 5.15 -1.26 -4.81 115.26 123.39 1uf0 n ASN 103 Ca 0.59 -2.02 -0.07 0.00 -0.60 0.00 0.00 54.58 52.48 1uf0 n ASN 103 Cb 0.19 -0.44 -0.12 0.00 -0.53 0.00 0.00 39.78 38.87 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 -0.39 0.00 -1.71 1.20 4.27 -1.26 -4.56 117.44 114.99 1uf0 n TRP 104 Ca 0.07 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.71 1uf0 n TRP 104 Cb 0.87 -0.75 0.18 0.00 -1.36 0.00 0.00 31.31 30.25 1uf0 n TRP 104 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1uf0 n SER 105 N -2.56 1.92 -0.04 -0.67 2.88 -1.26 -4.66 113.62 109.23 1uf0 n SER 105 Ca -0.25 -3.75 -0.06 0.00 -1.33 0.00 0.00 58.87 53.49 1uf0 n SER 105 Cb 0.99 -0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.97 0.50 -0.00 2.46 0.31 -1.26 -4.74 118.33 114.63 1uf0 n VAL 106 Ca 0.20 -0.21 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 1uf0 n VAL 106 Cb 0.75 -0.81 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1uf0 h ASN 107 N 0.00 -0.08 -6.62 4.52 4.21 -1.83 -3.48 115.58 112.30 1uf0 h ASN 107 Ca -0.19 -0.54 -0.45 0.00 1.21 0.00 0.00 56.30 56.33 1uf0 h ASN 107 Cb 1.33 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.55 1uf0 h ASN 107 CO -0.02 0.57 -0.98 0.55 -1.29 0.00 0.00 177.43 176.26 1uf0 n VAL 108 N -4.82 -4.03 -1.54 2.81 3.14 -1.26 -4.66 118.33 107.96 1uf0 n VAL 108 Ca -0.08 -0.10 -0.25 0.00 -2.96 0.00 0.00 64.34 60.95 1uf0 n VAL 108 Cb 0.30 -3.32 -0.08 0.00 -1.06 0.00 0.00 33.84 29.68 1uf0 n VAL 108 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1uf0 n LYS 109 N -2.75 0.62 -2.27 1.45 4.81 -1.26 -4.91 118.16 113.85 1uf0 n LYS 109 Ca -0.27 -0.37 -0.26 0.00 -0.87 0.00 0.00 58.31 56.54 1uf0 n LYS 109 Cb 0.67 -3.11 0.10 0.00 0.02 0.00 0.00 35.03 32.70 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 11.76 2.21 0.05 3.15 -4.23 -1.26 -4.99 115.64 122.32 1uf0 s THR 110 Ca 1.03 -0.32 -0.30 0.00 -1.18 0.00 0.00 61.69 60.92 1uf0 s THR 110 Cb -0.33 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.53 1uf0 s THR 110 CO 0.24 0.00 1.82 -0.44 -0.54 0.00 0.00 174.62 175.70 1uf0 s SER 111 N -4.63 6.51 -0.32 3.99 0.01 -1.26 -4.91 113.70 113.08 1uf0 s SER 111 Ca 0.64 2.58 -0.09 0.00 1.31 0.00 0.00 55.95 60.39 1uf0 s SER 111 Cb -0.08 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.80 1uf0 s SER 111 CO 0.46 -0.99 1.08 -0.83 0.41 0.00 0.00 173.24 173.37 1uf0 s GLY 112 N 3.49 -1.65 0.08 3.44 0.00 -1.26 -5.05 107.32 106.38 1uf0 s GLY 112 Ca 0.81 1.17 -0.16 0.00 0.00 0.00 0.00 44.72 46.54 1uf0 s GLY 112 CO 0.37 4.34 1.39 -0.56 0.00 0.00 0.00 173.10 178.63 1uf0 h PRO 113 N 5.07 0.62 -2.74 2.90 0.13 -2.05 -3.46 132.00 132.47 1uf0 h PRO 113 Ca -0.03 -0.34 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 1uf0 h PRO 113 Cb 1.22 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 1uf0 h PRO 113 CO -0.09 0.94 -0.15 -1.12 -0.23 0.00 0.00 178.00 177.36 1uf0 s SER 114 N -6.48 -0.33 -0.45 1.44 0.01 -1.26 -5.12 113.70 101.52 1uf0 s SER 114 Ca -0.13 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.45 1uf0 s SER 114 Cb 0.08 0.40 0.19 0.00 0.21 0.00 0.00 66.02 66.90 1uf0 s SER 114 CO 0.81 -0.48 0.82 -0.55 0.41 0.00 0.00 173.24 174.26 1uf0 s SER 115 N -1.22 -1.11 0.00 2.44 0.15 -1.26 -5.26 113.70 107.44 1uf0 s SER 115 Ca -0.12 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.38 1uf0 s SER 115 Cb -0.04 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 1uf0 s SER 115 CO 0.06 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.05