#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 -7.11 -3.84 1.61 2.88 -1.26 -5.07 113.62 100.83 1uf0 n SER 2 Ca 0.00 1.41 -0.09 0.00 -1.33 0.00 0.00 58.87 58.85 1uf0 n SER 2 Cb 0.00 -5.27 -0.07 0.00 -0.75 0.00 0.00 64.21 58.12 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uf0 s SER 3 N -1.50 0.07 0.00 -3.46 0.01 -1.26 -4.92 113.70 102.63 1uf0 s SER 3 Ca -0.03 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1uf0 s SER 3 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1uf0 s SER 3 CO 0.77 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1uf0 n GLY 4 N 0.14 2.70 0.26 3.44 0.00 -1.26 -4.78 105.19 105.68 1uf0 n GLY 4 Ca -0.16 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1uf0 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uf0 h SER 5 N 0.00 0.60 -4.97 1.61 0.87 -2.04 -3.45 113.55 106.17 1uf0 h SER 5 Ca 0.00 -0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.26 1uf0 h SER 5 Cb 0.00 -0.16 -0.20 0.00 -0.44 0.00 0.00 62.40 61.60 1uf0 h SER 5 CO 0.00 0.77 -0.35 -0.44 -0.53 0.00 0.00 176.83 176.28 1uf0 s SER 6 N -6.75 -0.12 0.00 6.23 0.01 -1.26 -5.16 113.70 106.65 1uf0 s SER 6 Ca -0.08 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1uf0 s SER 6 Cb 0.14 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1uf0 s SER 6 CO 0.80 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1uf0 n GLY 7 N 1.35 1.70 3.19 3.44 0.00 -1.26 -4.69 105.19 108.92 1uf0 n GLY 7 Ca -0.22 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 1.98 0.73 0.21 1.61 2.47 -1.26 -5.14 119.74 120.34 1uf0 s LYS 8 Ca 0.00 -0.67 0.09 0.00 -1.56 0.00 0.00 55.97 53.83 1uf0 s LYS 8 Cb 0.00 0.30 -0.04 0.00 -1.46 0.00 0.00 37.83 36.63 1uf0 s LYS 8 CO 0.00 -0.22 -0.08 0.15 0.16 0.00 0.00 175.35 175.36 1uf0 s LYS 9 N -2.80 2.09 0.62 4.03 1.02 -1.26 -5.04 119.74 118.40 1uf0 s LYS 9 Ca -0.03 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1uf0 s LYS 9 Cb 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1uf0 s LYS 9 CO -0.05 0.41 0.00 0.00 -0.92 0.00 0.00 175.35 174.79 1uf0 n ALA 10 N -0.22 -3.89 -2.64 5.17 0.00 -1.26 -4.79 120.51 112.87 1uf0 n ALA 10 Ca -0.09 0.93 -0.38 0.00 0.00 0.00 0.00 53.44 53.90 1uf0 n ALA 10 Cb 0.57 -1.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 1uf0 n ALA 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uf0 s LYS 11 N -4.20 4.08 -0.48 0.00 3.01 0.35 -4.79 119.74 117.71 1uf0 s LYS 11 Ca 0.00 -0.02 -0.29 0.00 -1.01 0.00 0.00 55.97 54.65 1uf0 s LYS 11 Cb 0.00 -3.58 0.02 0.00 -1.01 0.00 0.00 37.83 33.26 1uf0 s LYS 11 CO 0.00 -0.09 1.26 0.15 0.51 0.00 0.00 175.35 177.18 1uf0 s LYS 12 N 1.50 3.60 0.04 1.68 -0.14 -1.26 -0.65 119.74 124.51 1uf0 s LYS 12 Ca 0.14 0.62 0.08 0.00 -1.36 0.00 0.00 55.97 55.45 1uf0 s LYS 12 Cb -0.15 -3.98 -0.03 0.00 -1.68 0.00 0.00 37.83 31.99 1uf0 s LYS 12 CO 0.08 -1.55 -0.24 0.14 -0.76 0.00 0.00 175.35 173.02 1uf0 s VAL 13 N 5.01 1.92 -0.13 3.17 -7.23 -0.08 -1.52 120.40 121.54 1uf0 s VAL 13 Ca 0.52 -1.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1uf0 s VAL 13 Cb -0.09 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 1uf0 s VAL 13 CO 0.31 0.31 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.68 1uf0 s ARG 14 N -1.16 3.37 -0.23 4.82 3.52 -1.16 -0.92 118.95 127.19 1uf0 s ARG 14 Ca 0.10 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 1uf0 s ARG 14 Cb -0.09 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.67 1uf0 s ARG 14 CO 0.02 0.19 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.56 1uf0 s PHE 15 N 0.42 2.98 0.31 5.12 0.08 -0.84 -0.84 117.98 125.20 1uf0 s PHE 15 Ca -0.10 -1.34 0.02 0.00 0.12 0.00 0.00 56.93 55.63 1uf0 s PHE 15 Cb -0.16 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1uf0 s PHE 15 CO 0.05 -0.68 0.48 0.71 -0.10 0.00 0.00 175.22 175.69 1uf0 s TYR 16 N 1.38 3.48 -0.16 0.36 2.02 -0.18 -1.52 117.35 122.73 1uf0 s TYR 16 Ca 0.03 0.23 -0.18 0.00 -0.37 0.00 0.00 57.07 56.78 1uf0 s TYR 16 Cb -0.15 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 1uf0 s TYR 16 CO -0.05 0.23 0.49 0.50 -1.57 0.00 0.00 175.55 175.15 1uf0 s ARG 17 N -4.18 4.26 -0.28 -0.62 3.52 -1.26 -1.70 118.95 118.68 1uf0 s ARG 17 Ca 0.38 0.42 -0.28 0.00 -0.13 0.00 0.00 55.73 56.12 1uf0 s ARG 17 Cb -0.09 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1uf0 s ARG 17 CO 0.34 -0.00 2.06 1.21 -0.81 0.00 0.00 175.30 178.09 1uf0 s ASN 18 N 0.91 5.58 0.00 -2.12 2.47 -1.24 -2.29 114.94 118.25 1uf0 s ASN 18 Ca 0.25 1.61 0.00 0.00 0.42 0.00 0.00 52.86 55.13 1uf0 s ASN 18 Cb -0.15 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1uf0 s ASN 18 CO 0.10 -1.91 0.00 0.61 -3.72 0.00 0.00 177.10 172.18 1uf0 n GLY 19 N 5.64 0.99 2.93 1.21 0.00 -1.26 -4.93 105.19 109.77 1uf0 n GLY 19 Ca 0.27 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.46 0.21 0.03 1.61 2.15 -0.97 -5.01 116.67 112.23 1uf0 s ASP 20 Ca 0.00 -0.25 -0.01 0.00 0.43 0.00 0.00 52.55 52.72 1uf0 s ASP 20 Cb 0.00 1.19 -0.27 0.00 -0.30 0.00 0.00 42.92 43.54 1uf0 s ASP 20 CO 0.00 -0.34 0.96 0.08 -0.17 0.00 0.00 175.17 175.69 1uf0 h ARG 21 N 8.15 0.21 -0.01 4.34 0.11 -1.92 -3.30 114.38 121.97 1uf0 h ARG 21 Ca -0.10 -0.36 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1uf0 h ARG 21 Cb 1.13 0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 1uf0 h ARG 21 CO 0.26 1.08 0.00 1.88 0.10 0.00 0.00 179.97 183.30 1uf0 h TYR 22 N 0.06 0.00 -3.76 4.08 0.05 -1.95 -3.43 116.97 112.02 1uf0 h TYR 22 Ca -0.20 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.03 1uf0 h TYR 22 Cb 1.98 0.00 0.12 0.00 1.01 0.00 0.00 36.73 39.84 1uf0 h TYR 22 CO 0.05 0.00 0.60 0.34 -1.05 0.00 0.00 178.16 178.10 1uf0 n PHE 23 N -4.43 2.42 -1.17 4.88 7.35 -1.24 -4.91 117.46 120.36 1uf0 n PHE 23 Ca -0.03 0.47 -0.08 0.00 -0.76 0.00 0.00 57.45 57.05 1uf0 n PHE 23 Cb 0.09 -2.42 0.25 0.00 0.35 0.00 0.00 39.48 37.76 1uf0 n PHE 23 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1uf0 n LYS 24 N -0.08 2.90 -1.46 -4.13 5.02 -1.26 -5.01 118.16 114.13 1uf0 n LYS 24 Ca 0.06 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.28 1uf0 n LYS 24 Cb 0.41 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1uf0 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uf0 n GLY 25 N -0.63 -4.13 3.39 0.72 0.00 -1.26 -4.87 105.19 98.40 1uf0 n GLY 25 Ca 0.41 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.79 4.23 0.27 -0.61 2.07 -0.57 -4.91 121.20 116.88 1uf0 s ILE 26 Ca 0.00 -0.54 -0.29 0.00 -1.41 0.00 0.00 60.65 58.40 1uf0 s ILE 26 Cb 0.00 -3.15 -0.09 0.00 0.13 0.00 0.00 42.46 39.35 1uf0 s ILE 26 CO 0.00 0.10 1.12 -0.69 -1.91 0.00 0.00 174.94 173.56 1uf0 s VAL 27 N 1.55 3.48 -0.01 4.00 1.01 -1.26 -1.99 120.40 127.18 1uf0 s VAL 27 Ca 0.04 1.45 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 1uf0 s VAL 27 Cb -0.17 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1uf0 s VAL 27 CO 0.04 0.33 0.16 -0.31 0.00 0.00 0.00 175.10 175.32 1uf0 s TYR 28 N -1.00 -0.00 -0.30 5.22 2.02 -0.09 -5.00 117.35 118.20 1uf0 s TYR 28 Ca 0.46 -0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 57.10 1uf0 s TYR 28 Cb -0.32 -0.02 0.05 0.00 -0.40 0.00 0.00 41.96 41.26 1uf0 s TYR 28 CO 0.41 -0.28 0.00 0.00 -1.57 0.00 0.00 175.55 174.11 1uf0 s ALA 29 N -1.25 2.82 -0.34 3.71 0.00 -1.26 -0.90 121.76 124.54 1uf0 s ALA 29 Ca -0.13 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 49.78 1uf0 s ALA 29 Cb -0.07 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1uf0 s ALA 29 CO 0.02 -1.27 1.10 0.42 0.00 0.00 0.00 175.76 176.02 1uf0 s ILE 30 N 1.26 4.45 0.20 0.00 -1.09 0.18 -4.75 121.20 121.45 1uf0 s ILE 30 Ca -0.05 1.64 0.01 0.00 -2.23 0.00 0.00 60.65 60.03 1uf0 s ILE 30 Cb -0.20 -4.43 -0.05 0.00 -1.58 0.00 0.00 42.46 36.20 1uf0 s ILE 30 CO -0.01 -0.56 0.04 -0.44 -1.23 0.00 0.00 174.94 172.75 1uf0 s SER 31 N 1.83 1.13 0.37 3.58 0.01 -1.26 -0.49 113.70 118.86 1uf0 s SER 31 Ca 0.46 -1.26 0.16 0.00 1.31 0.00 0.00 55.95 56.62 1uf0 s SER 31 Cb -0.12 0.15 0.74 0.00 0.21 0.00 0.00 66.02 67.00 1uf0 s SER 31 CO 0.18 -0.64 1.79 1.55 0.41 0.00 0.00 173.24 176.53 1uf0 h PRO 32 N 2.58 0.00 0.09 12.44 0.13 -1.95 -2.63 132.00 142.66 1uf0 h PRO 32 Ca -0.37 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.41 1uf0 h PRO 32 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1uf0 h PRO 32 CO 0.61 0.38 -1.93 -0.25 -0.23 0.00 0.00 178.00 176.59 1uf0 n ASP 33 N -3.81 2.06 0.00 1.44 8.00 -1.26 -4.25 116.55 118.74 1uf0 n ASP 33 Ca -0.01 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1uf0 n ASP 33 Cb 0.45 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.65 0.00 -3.74 -1.24 1.74 -1.23 -4.54 116.66 104.00 1uf0 n ARG 34 Ca -0.34 0.26 -0.37 0.00 -0.77 0.00 0.00 57.85 56.63 1uf0 n ARG 34 Cb 0.97 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.98 3.52 0.08 -1.55 0.08 -0.99 -4.94 117.98 112.20 1uf0 s PHE 35 Ca 0.00 -2.22 -0.11 0.00 0.12 0.00 0.00 56.93 54.72 1uf0 s PHE 35 Cb 0.00 -3.14 -0.21 0.00 -0.57 0.00 0.00 43.02 39.10 1uf0 s PHE 35 CO 0.00 -0.95 1.19 -0.09 -0.10 0.00 0.00 175.22 175.27 1uf0 h ARG 36 N 8.13 0.58 -5.05 0.44 2.43 -1.75 -3.42 114.38 115.74 1uf0 h ARG 36 Ca -0.16 -0.68 -0.53 0.00 -0.81 0.00 0.00 59.98 57.81 1uf0 h ARG 36 Cb 1.06 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 30.68 1uf0 h ARG 36 CO 0.71 1.28 -0.53 -1.12 -1.51 0.00 0.00 179.97 178.79 1uf0 s SER 37 N -7.27 2.58 0.29 -3.80 0.01 -1.26 -5.01 113.70 99.23 1uf0 s SER 37 Ca -0.08 -1.62 0.08 0.00 1.31 0.00 0.00 55.95 55.64 1uf0 s SER 37 Cb 0.07 0.40 0.42 0.00 0.21 0.00 0.00 66.02 67.12 1uf0 s SER 37 CO 0.91 -0.88 1.66 0.15 0.41 0.00 0.00 173.24 175.49 1uf0 h PHE 38 N 1.89 0.18 -0.66 2.43 3.57 -1.91 -3.08 116.94 119.35 1uf0 h PHE 38 Ca -0.36 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1uf0 h PHE 38 Cb 1.27 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1uf0 h PHE 38 CO 1.30 0.62 0.37 1.49 -2.23 0.00 0.00 178.31 179.87 1uf0 h GLU 39 N 0.12 0.91 -0.28 1.11 4.22 -1.97 0.23 114.58 118.92 1uf0 h GLU 39 Ca 0.00 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.31 1uf0 h GLU 39 Cb 0.94 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1uf0 h GLU 39 CO 0.07 0.68 0.05 0.00 -2.18 0.00 0.00 179.01 177.64 1uf0 h ALA 40 N 1.18 1.57 0.24 2.92 0.00 -1.95 -0.24 119.26 122.98 1uf0 h ALA 40 Ca 0.23 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 1uf0 h ALA 40 Cb 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.72 1uf0 h ALA 40 CO -0.04 0.32 -1.50 1.25 0.00 0.00 0.00 179.25 179.29 1uf0 h LEU 41 N 0.41 0.79 -0.92 0.00 5.85 -1.40 -3.17 115.31 116.87 1uf0 h LEU 41 Ca 0.10 -0.88 -0.07 0.00 0.84 0.00 0.00 57.88 57.87 1uf0 h LEU 41 Cb 0.19 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1uf0 h LEU 41 CO -0.00 1.69 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.71 1uf0 h LEU 42 N 0.14 0.75 -0.56 2.25 3.38 -0.28 -0.67 115.31 120.32 1uf0 h LEU 42 Ca -0.26 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1uf0 h LEU 42 Cb 2.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 1uf0 h LEU 42 CO 0.26 0.83 0.13 0.00 0.09 0.00 0.00 178.44 179.74 1uf0 h ALA 43 N 1.26 0.74 -0.27 1.53 0.00 -1.14 -1.87 119.26 119.52 1uf0 h ALA 43 Ca 0.14 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1uf0 h ALA 43 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1uf0 h ALA 43 CO 0.02 0.46 -0.58 -0.44 0.00 0.00 0.00 179.25 178.71 1uf0 h ASP 44 N 0.81 0.95 -0.72 0.00 5.19 -1.48 -2.86 116.42 118.31 1uf0 h ASP 44 Ca 0.18 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1uf0 h ASP 44 Cb 0.36 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 1uf0 h ASP 44 CO 0.00 1.32 0.47 -0.07 -3.12 0.00 0.00 179.24 177.85 1uf0 h LEU 45 N 0.64 0.84 -1.37 1.55 3.38 -1.00 -1.87 115.31 117.48 1uf0 h LEU 45 Ca 0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1uf0 h LEU 45 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1uf0 h LEU 45 CO 0.13 0.62 -0.31 0.74 0.09 0.00 0.00 178.44 179.70 1uf0 h THR 46 N 0.98 1.19 0.00 0.22 2.02 -1.33 0.86 112.91 116.85 1uf0 h THR 46 Ca 0.26 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 1uf0 h THR 46 Cb -0.10 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1uf0 h THR 46 CO -0.06 0.31 -0.35 -0.09 0.37 0.00 0.00 175.52 175.70 1uf0 h ARG 47 N 0.00 0.00 0.00 6.66 2.43 -1.11 -3.17 114.38 119.19 1uf0 h ARG 47 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uf0 h ARG 47 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1uf0 h ARG 47 CO 0.04 0.35 -0.27 0.25 -1.51 0.00 0.00 179.97 178.83 1uf0 n THR 48 N -3.69 0.64 0.00 0.20 -2.24 -0.91 -4.86 114.28 103.42 1uf0 n THR 48 Ca -0.01 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1uf0 n THR 48 Cb 0.45 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 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 -3.22 0.00 -4.68 3.22 4.77 0.29 -4.58 117.00 112.80 1uf0 n LEU 49 Ca -0.04 0.98 -0.45 0.00 -0.03 0.00 0.00 56.01 56.48 1uf0 n LEU 49 Cb 0.14 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 1uf0 n LEU 49 CO 0.06 -0.48 1.39 -0.24 -1.33 0.00 0.00 177.39 176.78 1uf0 n SER 50 N -2.14 3.58 0.01 -1.43 2.88 -1.15 -4.79 113.62 110.58 1uf0 n SER 50 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1uf0 n SER 50 Cb 0.00 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.00 1uf0 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1uf0 n ASP 51 N 5.22 0.10 0.00 -3.46 2.03 -1.22 -4.52 116.55 114.70 1uf0 n ASP 51 Ca 0.19 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1uf0 n ASP 51 Cb 0.32 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -2.64 0.00 -0.09 1.67 2.85 -1.25 -4.85 115.26 110.95 1uf0 n ASN 52 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 1uf0 n ASN 52 Cb 0.00 0.02 -0.12 0.00 1.24 0.00 0.00 39.78 40.93 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1uf0 h VAL 53 N 0.00 1.21 0.21 3.44 2.07 -1.98 -3.22 116.25 117.99 1uf0 h VAL 53 Ca 0.00 -2.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.30 1uf0 h VAL 53 Cb 0.00 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1uf0 h VAL 53 CO 0.00 0.41 -0.10 0.78 0.02 0.00 0.00 177.57 178.68 1uf0 h ASN 54 N -1.00 -0.24 -2.66 0.57 -0.26 -1.93 -3.41 115.58 106.65 1uf0 h ASN 54 Ca -0.21 -0.24 -0.58 0.00 -0.56 0.00 0.00 56.30 54.71 1uf0 h ASN 54 Cb 1.17 0.06 -0.39 0.00 -1.06 0.00 0.00 38.32 38.10 1uf0 h ASN 54 CO -0.13 0.14 -0.84 -0.76 -1.06 0.00 0.00 177.43 174.78 1uf0 s LEU 55 N -9.44 1.01 0.29 1.61 1.43 -1.26 -4.95 118.68 107.37 1uf0 s LEU 55 Ca -0.14 -2.10 0.05 0.00 -1.03 0.00 0.00 54.13 50.91 1uf0 s LEU 55 Cb 0.02 -0.42 0.45 0.00 0.03 0.00 0.00 46.19 46.27 1uf0 s LEU 55 CO 0.57 -0.32 1.71 1.55 0.23 0.00 0.00 176.35 180.09 1uf0 h PRO 56 N 7.17 0.31 0.07 1.29 0.13 -1.80 -3.23 132.00 135.93 1uf0 h PRO 56 Ca 0.03 -0.13 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 1uf0 h PRO 56 Cb 0.97 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.10 1uf0 h PRO 56 CO 0.29 0.63 -0.52 0.37 -0.23 0.00 0.00 178.00 178.55 1uf0 h GLN 57 N 0.26 0.14 0.00 0.86 5.75 -1.94 -3.46 115.11 116.72 1uf0 h GLN 57 Ca 0.03 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 1uf0 h GLN 57 Cb 0.77 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1uf0 h GLN 57 CO 0.06 1.12 0.00 0.41 -2.65 0.00 0.00 178.83 177.76 1uf0 n GLY 58 N 1.63 0.82 3.50 2.39 0.00 -1.23 -5.07 105.19 107.24 1uf0 n GLY 58 Ca -0.14 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.89 3.82 0.00 1.61 0.11 -1.26 -4.27 120.40 118.51 1uf0 s VAL 59 Ca 0.00 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 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 0.51 0.00 0.54 -3.33 0.00 0.00 175.10 172.82 1uf0 n ARG 60 N 3.37 0.00 -3.82 1.54 5.12 -1.17 -4.90 116.66 116.81 1uf0 n ARG 60 Ca -0.18 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.38 1uf0 n ARG 60 Cb 0.53 -0.05 -0.13 0.00 -1.16 0.00 0.00 32.46 31.65 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1uf0 s THR 61 N -1.91 3.32 -0.26 0.55 2.01 -0.11 -5.00 115.64 114.24 1uf0 s THR 61 Ca 0.00 -1.51 -0.12 0.00 0.31 0.00 0.00 61.69 60.36 1uf0 s THR 61 Cb 0.00 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1uf0 s THR 61 CO 0.00 -0.31 0.24 -0.63 -0.69 0.00 0.00 174.62 173.23 1uf0 s ILE 62 N 1.27 5.28 0.48 1.82 1.01 -1.26 -0.54 121.20 129.26 1uf0 s ILE 62 Ca -0.00 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1uf0 s ILE 62 Cb -0.21 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.72 1uf0 s ILE 62 CO -0.01 0.25 0.66 -0.31 0.00 0.00 0.00 174.94 175.53 1uf0 s TYR 63 N 1.62 2.38 0.87 3.97 2.02 0.20 -0.15 117.35 128.27 1uf0 s TYR 63 Ca 0.10 -0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 56.20 1uf0 s TYR 63 Cb -0.15 -2.37 0.12 0.00 -0.40 0.00 0.00 41.96 39.16 1uf0 s TYR 63 CO 0.09 -0.69 1.22 0.95 -1.57 0.00 0.00 175.55 175.54 1uf0 s THR 64 N -2.49 1.99 0.34 -0.71 -4.23 -0.18 0.97 115.64 111.33 1uf0 s THR 64 Ca 0.57 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.19 1uf0 s THR 64 Cb -0.09 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.86 1uf0 s THR 64 CO 0.35 0.00 1.77 -0.29 -0.54 0.00 0.00 174.62 175.92 1uf0 h ILE 65 N -1.30 1.29 0.06 2.99 6.09 -1.78 -3.04 117.51 121.82 1uf0 h ILE 65 Ca -0.46 -1.39 -0.29 0.00 -1.37 0.00 0.00 64.86 61.35 1uf0 h ILE 65 Cb 1.30 1.69 -0.02 0.00 0.47 0.00 0.00 36.82 40.25 1uf0 h ILE 65 CO 0.57 0.41 -1.51 0.44 -3.07 0.00 0.00 178.15 174.99 1uf0 h ASP 66 N 0.09 0.20 -0.10 2.19 3.32 -1.93 -3.48 116.42 116.71 1uf0 h ASP 66 Ca 0.01 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1uf0 h ASP 66 Cb 0.73 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1uf0 h ASP 66 CO 0.05 1.26 0.00 0.61 -1.72 0.00 0.00 179.24 179.44 1uf0 n GLY 67 N 1.59 1.33 0.73 2.75 0.00 -1.15 -5.03 105.19 105.41 1uf0 n GLY 67 Ca -0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.05 0.86 -4.89 0.99 4.77 -1.26 -4.95 117.00 112.46 1uf0 n LEU 68 Ca 0.00 0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.79 1uf0 n LEU 68 Cb 0.09 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1uf0 n LEU 68 CO 0.00 -0.04 -0.17 -0.54 -1.33 0.00 0.00 177.39 175.31 1uf0 s LYS 69 N -2.20 3.39 -0.21 3.23 -0.14 -1.26 -4.98 119.74 117.56 1uf0 s LYS 69 Ca -0.12 -0.36 -0.03 0.00 -1.36 0.00 0.00 55.97 54.10 1uf0 s LYS 69 Cb 0.04 -3.06 -0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1uf0 s LYS 69 CO 0.15 0.66 -0.08 -1.59 -0.76 0.00 0.00 175.35 173.73 1uf0 s LYS 70 N -2.01 3.29 -0.13 1.68 -2.85 -1.26 -1.02 119.74 117.44 1uf0 s LYS 70 Ca 0.28 -0.67 -0.29 0.00 -1.00 0.00 0.00 55.97 54.28 1uf0 s LYS 70 Cb -0.13 -2.90 -0.04 0.00 -2.06 0.00 0.00 37.83 32.71 1uf0 s LYS 70 CO 0.20 -0.19 1.56 0.42 0.10 0.00 0.00 175.35 177.44 1uf0 s ILE 71 N 1.40 3.77 -0.10 3.79 -1.09 0.79 -4.85 121.20 124.92 1uf0 s ILE 71 Ca 0.05 0.91 0.06 0.00 -2.23 0.00 0.00 60.65 59.44 1uf0 s ILE 71 Cb -0.14 -3.65 -0.10 0.00 -1.58 0.00 0.00 42.46 36.98 1uf0 s ILE 71 CO -0.05 -0.16 -0.01 -0.24 -1.23 0.00 0.00 174.94 173.25 1uf0 n SER 72 N 7.47 2.80 -3.80 3.58 2.88 -1.26 -4.08 113.62 121.21 1uf0 n SER 72 Ca 0.17 -0.02 -0.23 0.00 -1.33 0.00 0.00 58.87 57.46 1uf0 n SER 72 Cb 0.44 0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 64.32 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 -2.49 2.36 -0.03 -3.46 7.64 -1.26 -4.89 113.62 111.49 1uf0 n SER 73 Ca -0.17 -2.72 -0.10 0.00 1.01 0.00 0.00 58.87 56.89 1uf0 n SER 73 Cb 0.78 0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 64.32 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 1.04 0.14 -3.43 4.77 -1.26 -4.06 117.00 114.19 1uf0 n LEU 74 Ca -0.12 0.36 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1uf0 n LEU 74 Cb 0.49 0.03 0.37 0.00 -2.33 0.00 0.00 43.42 41.99 1uf0 n LEU 74 CO 0.26 0.46 0.83 0.44 -1.33 0.00 0.00 177.39 178.05 1uf0 h ASP 75 N 0.01 0.16 -0.13 -1.43 3.32 -1.98 -2.41 116.42 113.96 1uf0 h ASP 75 Ca -0.32 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1uf0 h ASP 75 Cb 2.03 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.53 1uf0 h ASP 75 CO 0.07 0.39 0.07 1.56 -1.72 0.00 0.00 179.24 179.62 1uf0 h GLN 76 N 0.16 0.19 -7.23 3.56 4.20 -2.00 -3.43 115.11 110.56 1uf0 h GLN 76 Ca 0.03 -0.01 -0.53 0.00 0.06 0.00 0.00 58.65 58.20 1uf0 h GLN 76 Cb 0.48 -0.04 0.17 0.00 0.30 0.00 0.00 27.48 28.39 1uf0 h GLN 76 CO 0.03 0.15 0.31 -0.51 -0.67 0.00 0.00 178.83 178.15 1uf0 s LEU 77 N -9.17 3.09 0.17 1.46 1.43 -0.91 -5.05 118.68 109.69 1uf0 s LEU 77 Ca -0.06 2.21 0.06 0.00 -1.03 0.00 0.00 54.13 55.32 1uf0 s LEU 77 Cb 0.17 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 1uf0 s LEU 77 CO 0.70 -2.57 -0.13 -0.69 0.23 0.00 0.00 176.35 173.88 1uf0 s VAL 78 N -2.38 1.46 -0.65 -1.59 1.01 -1.26 -5.07 120.40 111.92 1uf0 s VAL 78 Ca 0.69 -2.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 1uf0 s VAL 78 Cb -0.25 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 1uf0 s VAL 78 CO 0.52 -0.61 1.67 -0.70 0.00 0.00 0.00 175.10 175.98 1uf0 s GLU 79 N -3.47 2.82 0.00 2.72 -6.30 -1.26 -3.97 118.70 109.24 1uf0 s GLU 79 Ca 0.18 0.35 0.00 0.00 -2.50 0.00 0.00 54.97 53.00 1uf0 s GLU 79 Cb -0.01 -4.32 0.00 0.00 0.00 0.00 0.00 34.13 29.81 1uf0 s GLU 79 CO 0.04 -2.53 0.00 0.41 0.02 0.00 0.00 175.26 173.20 1uf0 n GLY 80 N 5.59 0.59 2.72 -1.50 0.00 -0.58 -4.88 105.19 107.13 1uf0 n GLY 80 Ca 0.15 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1uf0 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uf0 n GLU 81 N -0.13 0.60 -4.16 1.61 -0.58 -1.22 -5.06 120.64 111.70 1uf0 n GLU 81 Ca 0.00 -2.17 -0.16 0.00 -0.42 0.00 0.00 57.16 54.41 1uf0 n GLU 81 Cb 0.05 2.15 -0.13 0.00 -0.57 0.00 0.00 31.44 32.94 1uf0 n GLU 81 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1uf0 s SER 82 N -2.72 0.84 -0.03 1.62 0.01 -1.26 -2.99 113.70 109.16 1uf0 s SER 82 Ca 0.22 -0.29 -0.13 0.00 1.31 0.00 0.00 55.95 57.06 1uf0 s SER 82 Cb -0.01 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.20 1uf0 s SER 82 CO 0.16 -0.03 0.28 -0.31 0.41 0.00 0.00 173.24 173.75 1uf0 s TYR 83 N -0.63 -0.18 -0.18 2.43 1.51 -0.02 -2.40 117.35 117.89 1uf0 s TYR 83 Ca -0.02 0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 56.33 1uf0 s TYR 83 Cb -0.05 0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.85 1uf0 s TYR 83 CO 0.00 -0.32 -0.04 0.08 -1.11 0.00 0.00 175.55 174.16 1uf0 s VAL 84 N -1.00 3.71 0.50 0.71 1.01 0.27 -1.02 120.40 124.59 1uf0 s VAL 84 Ca -0.11 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1uf0 s VAL 84 Cb -0.05 -2.64 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 1uf0 s VAL 84 CO 0.03 0.47 1.07 0.00 0.00 0.00 0.00 175.10 176.66 1uf0 s GLY 86 N -1.90 -0.26 -0.01 0.00 0.00 0.30 -3.69 107.32 101.77 1uf0 s GLY 86 Ca 0.69 0.79 -0.02 0.00 0.00 0.00 0.00 44.72 46.18 1uf0 s GLY 86 CO 0.22 0.60 -0.05 -1.26 0.00 0.00 0.00 173.10 172.61 1uf0 n SER 87 N 2.03 0.39 0.00 1.64 2.88 -1.26 -0.93 113.62 118.37 1uf0 n SER 87 Ca -0.17 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1uf0 n SER 87 Cb 0.57 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -2.88 0.00 -1.81 2.46 -0.00 -1.26 -4.61 119.36 111.26 1uf0 n ILE 88 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.35 1uf0 n ILE 88 Cb 0.07 -0.14 0.04 0.00 -0.00 0.00 0.00 39.64 39.61 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 1uf0 s GLU 89 N -1.24 3.14 0.42 6.28 -1.05 -1.26 -4.99 118.70 119.99 1uf0 s GLU 89 Ca 0.00 2.20 -0.06 0.00 -0.15 0.00 0.00 54.97 56.96 1uf0 s GLU 89 Cb 0.00 -2.24 0.09 0.00 -0.44 0.00 0.00 34.13 31.55 1uf0 s GLU 89 CO 0.00 -1.18 0.21 -2.30 0.95 0.00 0.00 175.26 172.94 1uf0 n PRO 90 N -1.06 -1.39 -3.42 -4.83 -0.02 -1.26 -4.93 135.00 118.10 1uf0 n PRO 90 Ca 0.11 -0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 60.81 1uf0 n PRO 90 Cb 0.45 -0.59 -0.10 0.00 -0.02 0.00 0.00 33.50 33.25 1uf0 n PRO 90 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1uf0 s PHE 91 N -1.18 3.21 -0.16 6.00 2.19 -1.26 -5.00 117.98 121.78 1uf0 s PHE 91 Ca 0.16 -0.25 -0.17 0.00 0.33 0.00 0.00 56.93 57.01 1uf0 s PHE 91 Cb -0.03 -2.67 -0.04 0.00 -1.31 0.00 0.00 43.02 38.97 1uf0 s PHE 91 CO 0.14 -0.51 0.42 0.15 1.83 0.00 0.00 175.22 177.25 1uf0 s LYS 92 N 1.92 4.26 -0.56 10.12 1.02 -1.26 -5.04 119.74 130.21 1uf0 s LYS 92 Ca 0.09 0.30 -0.23 0.00 0.02 0.00 0.00 55.97 56.15 1uf0 s LYS 92 Cb -0.17 -3.48 0.05 0.00 -0.52 0.00 0.00 37.83 33.71 1uf0 s LYS 92 CO 0.12 0.09 0.90 0.21 -0.92 0.00 0.00 175.35 175.74 1uf0 s LYS 93 N 0.90 3.27 0.34 1.68 2.20 -1.26 -4.82 119.74 122.05 1uf0 s LYS 93 Ca 0.22 -0.43 0.09 0.00 -0.36 0.00 0.00 55.97 55.49 1uf0 s LYS 93 Cb -0.15 -4.08 -0.06 0.00 -1.51 0.00 0.00 37.83 32.03 1uf0 s LYS 93 CO 0.08 -1.49 -0.08 -0.51 -0.36 0.00 0.00 175.35 172.99 1uf0 s LEU 94 N 3.77 2.78 -1.09 5.43 1.43 -1.26 -5.06 118.68 124.67 1uf0 s LEU 94 Ca 0.27 -1.16 -0.21 0.00 -1.03 0.00 0.00 54.13 52.00 1uf0 s LEU 94 Cb -0.14 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.09 1uf0 s LEU 94 CO 0.17 -0.21 1.49 -1.61 0.23 0.00 0.00 176.35 176.42 1uf0 s GLU 95 N -3.63 3.71 -0.12 1.70 2.02 -1.26 -4.77 118.70 116.35 1uf0 s GLU 95 Ca 0.33 -1.46 -0.07 0.00 0.02 0.00 0.00 54.97 53.80 1uf0 s GLU 95 Cb 0.02 -5.35 -0.02 0.00 0.10 0.00 0.00 34.13 28.88 1uf0 s GLU 95 CO 0.17 -2.16 -0.13 1.88 0.02 0.00 0.00 175.26 175.04 1uf0 h TYR 96 N 9.06 0.00 0.00 1.61 0.05 -1.95 -3.38 116.97 122.36 1uf0 h TYR 96 Ca 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.04 1uf0 h TYR 96 Cb 0.97 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1uf0 h TYR 96 CO 1.30 0.00 -0.01 1.79 -1.05 0.00 0.00 178.16 180.19 1uf0 h THR 97 N -0.88 0.55 -0.32 -2.88 1.35 -1.86 -2.51 112.91 106.35 1uf0 h THR 97 Ca 0.00 -0.02 0.06 0.00 -0.55 0.00 0.00 66.41 65.89 1uf0 h THR 97 Cb 0.37 1.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 1uf0 h THR 97 CO 0.00 0.00 0.01 0.50 -0.25 0.00 0.00 175.52 175.78 1uf0 h LYS 98 N 0.00 0.10 -0.80 4.72 3.64 -1.94 -1.29 116.57 121.00 1uf0 h LYS 98 Ca -0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1uf0 h LYS 98 Cb 0.01 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 1uf0 h LYS 98 CO 0.00 0.06 0.25 0.27 -2.27 0.00 0.00 179.45 177.76 1uf0 n ASN 99 N -5.16 4.48 -3.28 4.20 0.23 -0.96 -4.69 115.26 110.08 1uf0 n ASN 99 Ca 0.01 -3.06 -0.07 0.00 -0.53 0.00 0.00 54.58 50.93 1uf0 n ASN 99 Cb 0.16 -0.72 -0.04 0.00 -2.08 0.00 0.00 39.78 37.10 1uf0 n ASN 99 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1uf0 s VAL 100 N -2.66 -0.69 0.33 3.53 1.01 -0.49 -5.01 120.40 116.43 1uf0 s VAL 100 Ca 0.48 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1uf0 s VAL 100 Cb 0.38 -0.63 -0.12 0.00 0.00 0.00 0.00 36.38 36.01 1uf0 s VAL 100 CO 0.12 -0.26 1.41 -3.20 0.00 0.00 0.00 175.10 173.16 1uf0 n ASN 101 N 4.79 3.22 -2.70 3.32 5.15 -1.25 -4.55 115.26 123.24 1uf0 n ASN 101 Ca 0.07 1.20 -0.26 0.00 -0.60 0.00 0.00 54.58 54.98 1uf0 n ASN 101 Cb 0.51 -1.53 -0.09 0.00 -0.53 0.00 0.00 39.78 38.13 1uf0 n ASN 101 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1uf0 n PRO 102 N 0.97 2.94 -2.05 1.20 -0.04 -1.26 -4.42 135.00 132.32 1uf0 n PRO 102 Ca 0.05 -1.76 -0.23 0.00 -0.04 0.00 0.00 63.50 61.52 1uf0 n PRO 102 Cb 0.36 -2.40 0.02 0.00 -0.04 0.00 0.00 33.50 31.44 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 2.83 4.84 -0.03 3.54 5.15 -1.26 -4.66 115.26 125.67 1uf0 n ASN 103 Ca 0.60 -3.70 -0.04 0.00 -0.60 0.00 0.00 54.58 50.84 1uf0 n ASN 103 Cb 0.55 -0.35 -0.04 0.00 -0.53 0.00 0.00 39.78 39.42 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 -0.70 0.00 -1.33 1.20 4.27 -1.26 -4.46 117.44 115.16 1uf0 n TRP 104 Ca 0.43 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.84 1uf0 n TRP 104 Cb 0.96 -0.28 0.17 0.00 -1.36 0.00 0.00 31.31 30.79 1uf0 n TRP 104 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 1uf0 n SER 105 N -2.47 3.89 0.00 -0.67 7.64 -1.26 -4.44 113.62 116.31 1uf0 n SER 105 Ca -0.11 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1uf0 n SER 105 Cb 0.66 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1uf0 n SER 105 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1uf0 n VAL 106 N -1.11 0.00 -4.00 0.44 0.24 -1.26 -4.78 118.33 107.86 1uf0 n VAL 106 Ca 0.53 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.52 1uf0 n VAL 106 Cb 1.38 -0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 32.99 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1uf0 s ASN 107 N -4.41 4.62 -0.53 -1.34 2.47 -1.26 -4.97 114.94 109.51 1uf0 s ASN 107 Ca 0.00 -1.96 0.02 0.00 0.42 0.00 0.00 52.86 51.34 1uf0 s ASN 107 Cb 0.00 -1.53 0.44 0.00 -1.45 0.00 0.00 41.25 38.71 1uf0 s ASN 107 CO 0.00 -0.35 1.64 0.55 -3.72 0.00 0.00 177.10 175.22 1uf0 n VAL 108 N 4.35 3.11 -1.70 -5.21 3.14 -1.26 -4.59 118.33 116.16 1uf0 n VAL 108 Ca 0.00 -3.74 -0.05 0.00 -2.96 0.00 0.00 64.34 57.59 1uf0 n VAL 108 Cb 0.42 -1.17 0.15 0.00 -1.06 0.00 0.00 33.84 32.18 1uf0 n VAL 108 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1uf0 n LYS 109 N -0.76 2.25 -2.19 1.45 5.02 -1.26 -5.05 118.16 117.62 1uf0 n LYS 109 Ca 0.53 -3.55 -0.26 0.00 -2.02 0.00 0.00 58.31 53.01 1uf0 n LYS 109 Cb 0.73 -1.86 0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1uf0 n LYS 109 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1uf0 s THR 110 N -3.68 2.23 -0.28 -0.18 -4.23 -1.26 -5.11 115.64 103.13 1uf0 s THR 110 Ca 0.43 -0.26 -0.25 0.00 -1.18 0.00 0.00 61.69 60.43 1uf0 s THR 110 Cb 0.39 -2.97 0.14 0.00 1.34 0.00 0.00 72.50 71.40 1uf0 s THR 110 CO -0.03 0.00 1.12 -0.55 -0.54 0.00 0.00 174.62 174.63 1uf0 s SER 111 N -4.56 -0.35 1.93 3.99 0.15 -1.26 -5.11 113.70 108.48 1uf0 s SER 111 Ca 0.62 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1uf0 s SER 111 Cb -0.10 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1uf0 s SER 111 CO 0.45 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1uf0 n GLY 112 N 1.95 3.77 3.64 9.45 0.00 -1.26 -4.74 105.19 118.01 1uf0 n GLY 112 Ca -0.12 0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1uf0 n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uf0 n PRO 113 N 11.39 1.73 0.06 1.61 -0.02 -1.26 -4.90 135.00 143.61 1uf0 n PRO 113 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1uf0 n PRO 113 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1uf0 n PRO 113 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1uf0 n SER 114 N 1.43 0.16 -4.74 2.55 7.64 -1.26 -5.07 113.62 114.33 1uf0 n SER 114 Ca 0.09 0.21 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 1uf0 n SER 114 Cb 0.32 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 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 -5.20 7.36 0.00 6.43 0.15 -1.26 -5.17 113.70 116.01 1uf0 s SER 115 Ca 0.00 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1uf0 s SER 115 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1uf0 s SER 115 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90