#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h50 s GLN 2 N 0.00 0.45 0.01 1.61 0.74 -1.26 -5.31 119.66 115.90 3h50 s GLN 2 Ca 0.00 0.55 -0.05 0.00 0.05 0.00 0.00 55.36 55.91 3h50 s GLN 2 Cb 0.00 -0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.04 3h50 s GLN 2 CO 0.00 -0.81 0.08 -0.47 -0.55 0.00 0.00 175.29 173.55 3h50 s TYR 3 N 2.67 0.10 -0.15 1.67 5.04 -1.26 -5.16 117.35 120.26 3h50 s TYR 3 Ca 0.14 -0.24 -0.21 0.00 -2.44 0.00 0.00 57.07 54.31 3h50 s TYR 3 Cb -0.14 -0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.14 3h50 s TYR 3 CO -0.23 -0.25 0.55 0.00 -1.34 0.00 0.00 175.55 174.29 3h50 s ALA 4 N -1.34 -1.37 -0.35 3.97 0.00 -1.26 -5.12 121.76 116.28 3h50 s ALA 4 Ca -0.14 1.36 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 3h50 s ALA 4 Cb -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 3h50 s ALA 4 CO 0.01 -0.28 0.44 0.99 0.00 0.00 0.00 175.76 176.91 3h50 s THR 5 N -0.20 5.09 0.13 0.00 2.01 -1.26 -5.05 115.64 116.36 3h50 s THR 5 Ca -0.04 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 3h50 s THR 5 Cb -0.03 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 3h50 s THR 5 CO 0.03 -0.16 1.36 -0.76 -0.69 0.00 0.00 174.62 174.40 3h50 s LEU 6 N 2.20 4.38 0.38 4.42 1.02 -1.26 -4.91 118.68 124.91 3h50 s LEU 6 Ca 0.15 2.32 0.19 0.00 0.02 0.00 0.00 54.13 56.81 3h50 s LEU 6 Cb -0.16 -3.59 0.71 0.00 0.02 0.00 0.00 46.19 43.17 3h50 s LEU 6 CO 0.12 -0.62 1.75 -0.33 0.02 0.00 0.00 176.35 177.30 3h50 h GLU 7 N 6.52 0.00 -6.16 1.70 5.08 -2.02 -3.47 114.58 116.23 3h50 h GLU 7 Ca -0.43 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.50 3h50 h GLU 7 Cb 1.21 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.49 3h50 h GLU 7 CO 0.84 0.37 -0.81 1.28 -1.00 0.00 0.00 179.01 179.69 3h50 n LEU 8 N -3.57 -2.93 -0.39 1.33 4.77 -1.26 -4.88 117.00 110.08 3h50 n LEU 8 Ca -0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3h50 n LEU 8 Cb 0.49 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.96 3h50 n LEU 8 CO 0.37 0.43 0.24 -0.46 -1.33 0.00 0.00 177.39 176.63 3h50 n ASN 9 N -2.99 0.00 -4.53 -1.43 0.23 -1.26 -4.98 115.26 100.30 3h50 n ASN 9 Ca -0.20 -1.59 -0.34 0.00 -0.53 0.00 0.00 54.58 51.92 3h50 n ASN 9 Cb 0.63 -0.12 -0.12 0.00 -2.08 0.00 0.00 39.78 38.10 3h50 n ASN 9 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 3h50 s ASN 10 N -0.59 4.67 0.20 0.53 0.01 -1.26 -5.01 114.94 113.49 3h50 s ASN 10 Ca 0.00 -0.09 -0.10 0.00 -0.71 0.00 0.00 52.86 51.96 3h50 s ASN 10 Cb 0.00 -1.49 0.24 0.00 0.41 0.00 0.00 41.25 40.40 3h50 s ASN 10 CO 0.00 0.26 1.77 0.00 -1.51 0.00 0.00 177.10 177.63 3h50 h ALA 11 N 6.01 0.79 -1.84 0.60 0.00 -1.89 -1.97 119.26 120.96 3h50 h ALA 11 Ca -0.39 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3h50 h ALA 11 Cb 1.19 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.73 3h50 h ALA 11 CO 0.57 -0.09 -0.01 0.12 0.00 0.00 0.00 179.25 179.84 3h50 s PHE 12 N -6.10 -1.14 -0.09 0.00 5.36 -1.26 -2.87 117.98 111.89 3h50 s PHE 12 Ca -0.13 2.06 -0.03 0.00 -0.96 0.00 0.00 56.93 57.87 3h50 s PHE 12 Cb 0.16 0.68 0.04 0.00 -0.34 0.00 0.00 43.02 43.56 3h50 s PHE 12 CO 0.75 -0.56 0.09 0.21 -1.46 0.00 0.00 175.22 174.24 3h50 s LYS 13 N 2.40 -0.02 0.15 10.12 2.20 -0.47 -5.00 119.74 129.12 3h50 s LYS 13 Ca -0.07 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 3h50 s LYS 13 Cb -0.09 -0.89 -0.08 0.00 -1.51 0.00 0.00 37.83 35.27 3h50 s LYS 13 CO -0.19 -0.44 1.23 0.08 -0.36 0.00 0.00 175.35 175.68 3h50 s VAL 14 N 2.18 3.59 0.00 4.02 1.01 -1.26 -0.92 120.40 129.02 3h50 s VAL 14 Ca 0.04 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3h50 s VAL 14 Cb -0.13 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3h50 s VAL 14 CO -0.05 0.17 0.00 0.18 0.00 0.00 0.00 175.10 175.39 3h50 n LEU 15 N 2.96 0.00 -5.00 3.92 4.77 0.08 -4.93 117.00 118.79 3h50 n LEU 15 Ca 0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 3h50 n LEU 15 Cb 0.44 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 3h50 n LEU 15 CO 0.56 0.00 0.40 0.72 -1.33 0.00 0.00 177.39 177.74 3h50 s PHE 16 N 3.50 1.94 0.15 -1.77 -0.12 -1.25 -4.68 117.98 115.75 3h50 s PHE 16 Ca 0.00 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 56.57 3h50 s PHE 16 Cb 0.00 -2.62 -0.04 0.00 -0.63 0.00 0.00 43.02 39.73 3h50 s PHE 16 CO 0.00 -1.20 -0.16 -1.12 -0.05 0.00 0.00 175.22 172.69 3h50 s SER 17 N -4.60 2.36 -0.12 1.98 0.01 -1.26 -1.28 113.70 110.78 3h50 s SER 17 Ca 0.62 -0.86 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 3h50 s SER 17 Cb -0.07 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.11 3h50 s SER 17 CO 0.40 -0.10 0.24 -0.22 0.41 0.00 0.00 173.24 173.96 3h50 s LEU 18 N -2.67 -0.25 -1.38 2.44 2.96 -0.08 -4.98 118.68 114.73 3h50 s LEU 18 Ca 0.14 0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.54 3h50 s LEU 18 Cb -0.05 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.24 3h50 s LEU 18 CO 0.05 -0.24 0.44 0.54 -1.32 0.00 0.00 176.35 175.82 3h50 n ARG 19 N 5.34 -2.83 -1.81 1.98 1.74 -1.26 -1.92 116.66 117.91 3h50 n ARG 19 Ca -0.06 0.38 -0.09 0.00 -0.77 0.00 0.00 57.85 57.32 3h50 n ARG 19 Cb 0.50 -4.36 -0.02 0.00 -1.02 0.00 0.00 32.46 27.56 3h50 n ARG 19 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3h50 n GLN 20 N -4.41 -0.68 -4.99 5.56 3.00 -1.26 -5.03 117.38 109.57 3h50 n GLN 20 Ca -0.28 0.58 -0.27 0.00 -0.01 0.00 0.00 57.00 57.02 3h50 n GLN 20 Cb 0.67 -4.54 -0.16 0.00 0.00 0.00 0.00 30.24 26.22 3h50 n GLN 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3h50 s VAL 21 N -2.40 1.63 -0.04 5.09 1.01 -0.81 -3.85 120.40 121.03 3h50 s VAL 21 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3h50 s VAL 21 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3h50 s VAL 21 CO 0.00 0.46 -0.12 -1.58 0.00 0.00 0.00 175.10 173.86 3h50 s GLN 22 N -0.20 1.40 -0.01 2.72 0.74 -0.35 -0.90 119.66 123.06 3h50 s GLN 22 Ca 0.01 -0.43 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 3h50 s GLN 22 Cb -0.11 -1.23 -0.04 0.00 1.10 0.00 0.00 33.01 32.73 3h50 s GLN 22 CO 0.01 0.14 0.15 0.00 -0.55 0.00 0.00 175.29 175.05 3h50 s ALA 23 N 0.25 3.86 -0.03 1.58 0.00 -0.41 -0.10 121.76 126.90 3h50 s ALA 23 Ca -0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 3h50 s ALA 23 Cb -0.11 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3h50 s ALA 23 CO 0.02 0.73 0.18 0.00 0.00 0.00 0.00 175.76 176.69 3h50 s ALA 24 N -1.29 -0.43 0.69 0.00 0.00 -0.07 -0.74 121.76 119.91 3h50 s ALA 24 Ca 0.26 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 3h50 s ALA 24 Cb -0.12 -0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.04 3h50 s ALA 24 CO 0.17 -0.16 0.84 -1.91 0.00 0.00 0.00 175.76 174.70 3h50 n GLU 25 N 2.09 -0.01 0.00 0.00 2.13 -0.10 -0.59 120.64 124.16 3h50 n GLU 25 Ca -0.18 -2.25 0.00 0.00 0.66 0.00 0.00 57.16 55.38 3h50 n GLU 25 Cb 0.57 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3h50 n GLU 25 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3h50 n VAL 27 N -2.63 0.00 -4.02 6.31 0.31 -0.74 -1.37 118.33 116.19 3h50 n VAL 27 Ca 0.14 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.12 3h50 n VAL 27 Cb 0.49 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.31 3h50 n VAL 27 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3h50 s ILE 28 N 0.00 4.39 0.64 2.52 1.01 -0.54 -3.98 121.20 125.25 3h50 s ILE 28 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 3h50 s ILE 28 Cb 0.00 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 3h50 s ILE 28 CO 0.00 0.42 1.09 0.00 0.00 0.00 0.00 174.94 176.46 3h50 s ALA 29 N 0.82 2.55 0.30 9.38 0.00 -1.26 -1.35 121.76 132.19 3h50 s ALA 29 Ca 0.02 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 3h50 s ALA 29 Cb -0.14 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 3h50 s ALA 29 CO 0.02 -1.14 1.18 -2.30 0.00 0.00 0.00 175.76 173.51 3h50 n PRO 30 N -2.35 1.72 -0.95 0.00 -0.02 -1.26 -1.82 135.00 130.32 3h50 n PRO 30 Ca 0.10 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3h50 n PRO 30 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3h50 n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h50 n GLY 31 N 1.22 0.67 3.80 -1.23 0.00 -1.24 -5.02 105.19 103.40 3h50 n GLY 31 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3h50 n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h50 s ASP 32 N -2.51 4.68 0.02 1.61 1.01 -0.75 -4.97 116.67 115.76 3h50 s ASP 32 Ca 0.00 -0.96 -0.10 0.00 0.71 0.00 0.00 52.55 52.21 3h50 s ASP 32 Cb 0.00 -0.48 0.01 0.00 1.01 0.00 0.00 42.92 43.45 3h50 s ASP 32 CO 0.00 -0.61 0.20 0.00 0.21 0.00 0.00 175.17 174.97 3h50 s ARG 33 N -4.01 0.63 0.14 8.23 1.70 -1.26 -1.17 118.95 123.21 3h50 s ARG 33 Ca 0.44 -0.50 0.10 0.00 -0.47 0.00 0.00 55.73 55.29 3h50 s ARG 33 Cb 0.01 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 3h50 s ARG 33 CO 0.25 -0.17 -0.23 -1.21 -1.08 0.00 0.00 175.30 172.86 3h50 s GLU 34 N -2.05 1.31 3.08 3.89 0.41 -0.14 -4.99 118.70 120.19 3h50 s GLU 34 Ca -0.09 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 3h50 s GLU 34 Cb -0.03 -1.60 0.00 0.00 -1.78 0.00 0.00 34.13 30.71 3h50 s GLU 34 CO -0.01 0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 3h50 n GLY 35 N 0.71 0.16 0.00 -1.39 0.00 -1.26 -1.12 105.19 102.28 3h50 n GLY 35 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3h50 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h50 n GLY 36 N 0.00 -0.88 0.07 -0.02 0.00 -0.80 -4.86 105.19 98.71 3h50 n GLY 36 Ca 0.00 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.88 3h50 n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h50 n PRO 37 N -0.67 0.08 -0.11 1.61 -0.04 -1.26 -2.03 135.00 132.59 3h50 n PRO 37 Ca 0.00 0.42 0.04 0.00 -0.04 0.00 0.00 63.50 63.92 3h50 n PRO 37 Cb 0.00 -1.69 0.09 0.00 -0.04 0.00 0.00 33.50 31.86 3h50 n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3h50 n ASP 38 N -1.86 2.51 -4.52 3.54 8.00 -1.26 -4.84 116.55 118.13 3h50 n ASP 38 Ca 0.01 -2.32 -0.43 0.00 0.71 0.00 0.00 54.79 52.77 3h50 n ASP 38 Cb 0.13 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 40.96 3h50 n ASP 38 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3h50 s ASN 39 N -1.45 6.32 0.05 -2.24 2.47 -0.86 -4.99 114.94 114.23 3h50 s ASN 39 Ca 0.16 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 53.11 3h50 s ASN 39 Cb 0.12 -2.32 -0.03 0.00 -1.45 0.00 0.00 41.25 37.58 3h50 s ASN 39 CO 0.06 -0.78 -0.09 -0.13 -3.72 0.00 0.00 177.10 172.44 3h50 s ARG 40 N 2.80 0.59 -0.36 0.43 0.52 -1.26 -0.83 118.95 120.83 3h50 s ARG 40 Ca 0.22 -0.83 -0.10 0.00 -0.52 0.00 0.00 55.73 54.51 3h50 s ARG 40 Cb -0.14 -0.36 0.03 0.00 0.52 0.00 0.00 34.95 35.00 3h50 s ARG 40 CO 0.19 0.06 0.17 -1.01 0.02 0.00 0.00 175.30 174.73 3h50 s HIS 41 N -1.54 3.24 0.37 -0.53 3.76 -1.26 -2.49 115.29 116.84 3h50 s HIS 41 Ca -0.07 -1.09 0.17 0.00 -0.15 0.00 0.00 55.06 53.92 3h50 s HIS 41 Cb -0.09 -2.39 0.96 0.00 1.11 0.00 0.00 32.58 32.17 3h50 s HIS 41 CO 0.00 -0.67 1.91 0.07 -0.85 0.00 0.00 174.74 175.21 3h50 h ARG 42 N 8.37 0.00 0.00 1.40 0.11 0.17 -0.76 114.38 123.66 3h50 h ARG 42 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 3h50 h ARG 42 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 3h50 h ARG 42 CO 0.65 0.27 -0.02 0.41 0.10 0.00 0.00 179.97 181.37 3h50 n GLY 43 N -0.55 1.17 2.88 0.08 0.00 0.36 -4.22 105.19 104.90 3h50 n GLY 43 Ca -0.02 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3h50 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h50 s ALA 44 N -0.80 0.57 0.52 4.61 0.00 -1.09 -4.17 121.76 121.41 3h50 s ALA 44 Ca 0.03 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 3h50 s ALA 44 Cb 0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 3h50 s ALA 44 CO 0.00 -0.02 1.04 -0.51 0.00 0.00 0.00 175.76 176.28 3h50 s ASP 45 N 0.91 6.18 -0.15 0.00 1.01 -0.24 -3.59 116.67 120.79 3h50 s ASP 45 Ca -0.11 1.88 -0.00 0.00 0.71 0.00 0.00 52.55 55.03 3h50 s ASP 45 Cb -0.14 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.27 3h50 s ASP 45 CO -0.00 -0.89 -0.06 -1.58 0.21 0.00 0.00 175.17 172.84 3h50 s GLN 46 N -3.51 1.49 -0.40 8.23 0.74 0.36 -1.75 119.66 124.81 3h50 s GLN 46 Ca 0.66 -0.42 -0.19 0.00 0.05 0.00 0.00 55.36 55.46 3h50 s GLN 46 Cb -0.16 -1.86 0.01 0.00 1.10 0.00 0.00 33.01 32.11 3h50 s GLN 46 CO 0.25 -0.37 0.54 -1.58 -0.55 0.00 0.00 175.29 173.59 3h50 s TRP 47 N 1.66 3.14 -0.22 1.67 0.52 0.25 -0.61 118.94 125.35 3h50 s TRP 47 Ca 0.02 -0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.06 3h50 s TRP 47 Cb -0.14 -3.07 -0.03 0.00 -1.15 0.00 0.00 33.47 29.08 3h50 s TRP 47 CO -0.08 -0.69 0.04 -1.17 0.02 0.00 0.00 176.95 175.07 3h50 s LEU 48 N 2.49 3.43 -0.12 2.99 0.20 0.32 -0.69 118.68 127.30 3h50 s LEU 48 Ca 0.19 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 54.88 3h50 s LEU 48 Cb -0.15 -1.89 0.00 0.00 -0.43 0.00 0.00 46.19 43.72 3h50 s LEU 48 CO 0.15 0.04 -0.23 0.12 -0.29 0.00 0.00 176.35 176.14 3h50 s PHE 49 N 1.15 2.61 -0.37 5.38 5.36 -0.06 -0.49 117.98 131.57 3h50 s PHE 49 Ca 0.04 -1.19 -0.21 0.00 -0.96 0.00 0.00 56.93 54.60 3h50 s PHE 49 Cb -0.14 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.78 3h50 s PHE 49 CO 0.03 -0.51 0.68 0.08 -1.46 0.00 0.00 175.22 174.03 3h50 s VAL 50 N 0.57 4.83 0.03 3.12 1.01 -0.30 -1.44 120.40 128.22 3h50 s VAL 50 Ca -0.13 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 3h50 s VAL 50 Cb -0.17 -4.13 -0.30 0.00 0.00 0.00 0.00 36.38 31.78 3h50 s VAL 50 CO 0.04 -0.39 0.96 0.58 0.00 0.00 0.00 175.10 176.29 3h50 h VAL 51 N 5.73 1.27 -2.44 2.92 2.07 -1.16 -0.67 116.25 123.96 3h50 h VAL 51 Ca -0.26 -2.82 0.10 0.00 0.82 0.00 0.00 66.70 64.54 3h50 h VAL 51 Cb 1.10 2.89 -0.13 0.00 -1.52 0.00 0.00 31.29 33.63 3h50 h VAL 51 CO 0.87 0.84 0.43 -0.62 0.02 0.00 0.00 177.57 179.11 3h50 s ASP 52 N -7.22 -0.36 0.00 0.57 2.15 -1.19 -4.69 116.67 105.93 3h50 s ASP 52 Ca -0.08 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.80 3h50 s ASP 52 Cb 0.06 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 3h50 s ASP 52 CO 0.89 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 175.74 3h50 n GLY 53 N -0.32 -2.60 2.95 2.66 0.00 -1.26 -1.38 105.19 105.24 3h50 n GLY 53 Ca -0.10 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 3h50 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h50 s ALA 54 N -1.38 0.47 0.00 4.61 0.00 -1.26 -3.73 121.76 120.47 3h50 s ALA 54 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3h50 s ALA 54 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3h50 s ALA 54 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3h50 n GLY 55 N 3.11 2.72 2.94 0.00 0.00 -0.69 -2.24 105.19 111.03 3h50 n GLY 55 Ca -0.15 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3h50 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h50 s GLU 56 N 0.27 0.10 -0.08 1.61 2.56 0.22 -0.38 118.70 123.01 3h50 s GLU 56 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 54.97 55.23 3h50 s GLU 56 Cb 0.00 -0.10 -0.04 0.00 2.00 0.00 0.00 34.13 35.99 3h50 s GLU 56 CO 0.00 -0.11 0.06 0.00 -0.56 0.00 0.00 175.26 174.64 3h50 s ALA 57 N 0.79 3.52 -0.16 6.30 0.00 -0.30 -0.46 121.76 131.44 3h50 s ALA 57 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3h50 s ALA 57 Cb -0.08 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.41 3h50 s ALA 57 CO -0.04 0.62 -0.20 0.42 0.00 0.00 0.00 175.76 176.56 3h50 s ILE 58 N -0.99 2.03 -0.22 0.00 1.01 0.49 -1.67 121.20 121.85 3h50 s ILE 58 Ca 0.16 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 3h50 s ILE 58 Cb -0.12 -1.82 0.06 0.00 0.01 0.00 0.00 42.46 40.59 3h50 s ILE 58 CO 0.05 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.80 3h50 s VAL 59 N 1.15 1.30 -1.49 2.92 1.01 0.11 -0.90 120.40 124.48 3h50 s VAL 59 Ca 0.01 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3h50 s VAL 59 Cb -0.14 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.68 3h50 s VAL 59 CO -0.09 -0.08 0.40 0.47 0.00 0.00 0.00 175.10 175.79 3h50 n ASP 60 N 4.77 -0.56 0.00 3.32 8.00 -0.56 -1.36 116.55 130.16 3h50 n ASP 60 Ca -0.12 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3h50 n ASP 60 Cb 0.45 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 3h50 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h50 n GLY 61 N -2.00 2.46 3.73 0.44 0.00 -1.26 -5.00 105.19 103.57 3h50 n GLY 61 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3h50 n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h50 s HIS 62 N -3.14 3.63 -0.07 1.61 3.76 -0.46 -5.07 115.29 115.54 3h50 s HIS 62 Ca 0.00 1.26 -0.01 0.00 -0.15 0.00 0.00 55.06 56.16 3h50 s HIS 62 Cb 0.00 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.91 3h50 s HIS 62 CO 0.00 0.18 -0.01 0.95 -0.85 0.00 0.00 174.74 175.01 3h50 s THR 63 N 0.42 4.19 -0.08 1.30 -4.23 -1.26 -0.72 115.64 115.26 3h50 s THR 63 Ca 0.36 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.50 3h50 s THR 63 Cb -0.18 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 70.94 3h50 s THR 63 CO 0.18 0.58 0.17 -1.58 -0.54 0.00 0.00 174.62 173.43 3h50 s GLN 64 N -0.95 0.08 0.32 3.99 2.00 -0.67 -5.00 119.66 119.42 3h50 s GLN 64 Ca 0.14 0.51 -0.29 0.00 -2.00 0.00 0.00 55.36 53.72 3h50 s GLN 64 Cb -0.11 -0.20 -0.11 0.00 0.80 0.00 0.00 33.01 33.39 3h50 s GLN 64 CO 0.03 -0.24 1.48 0.00 -0.50 0.00 0.00 175.29 176.06 3h50 s ALA 65 N 1.81 3.62 -0.04 1.58 0.00 -1.26 -1.15 121.76 126.32 3h50 s ALA 65 Ca -0.03 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.47 3h50 s ALA 65 Cb -0.12 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3h50 s ALA 65 CO -0.06 -0.92 -0.16 -0.51 0.00 0.00 0.00 175.76 174.10 3h50 s LEU 66 N -1.30 2.65 0.30 0.00 1.43 0.49 -4.91 118.68 117.33 3h50 s LEU 66 Ca 0.56 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 53.34 3h50 s LEU 66 Cb -0.45 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3h50 s LEU 66 CO 0.54 0.34 0.49 0.00 0.23 0.00 0.00 176.35 177.95 3h50 s GLN 67 N -0.76 1.75 0.21 1.70 -2.07 -1.26 -1.70 119.66 117.53 3h50 s GLN 67 Ca 0.12 -1.49 -0.32 0.00 -1.82 0.00 0.00 55.36 51.84 3h50 s GLN 67 Cb -0.11 0.47 -0.12 0.00 -1.09 0.00 0.00 33.01 32.16 3h50 s GLN 67 CO 0.01 -0.73 1.67 0.00 -1.32 0.00 0.00 175.29 174.92 3h50 n ALA 68 N -0.46 2.49 0.00 2.60 0.00 -1.24 -1.16 120.51 122.74 3h50 n ALA 68 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3h50 n ALA 68 Cb 0.62 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3h50 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h50 n GLY 69 N 3.57 0.87 3.71 0.00 0.00 -0.26 -5.02 105.19 108.06 3h50 n GLY 69 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3h50 n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h50 s SER 70 N -1.77 6.67 -0.11 1.61 0.01 -0.31 -4.83 113.70 114.99 3h50 s SER 70 Ca 0.00 2.48 0.03 0.00 1.31 0.00 0.00 55.95 59.77 3h50 s SER 70 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.65 3h50 s SER 70 CO 0.00 -0.78 -0.19 -0.22 0.41 0.00 0.00 173.24 172.47 3h50 s LEU 71 N 1.43 1.90 -0.12 2.44 2.96 -1.26 -1.14 118.68 124.89 3h50 s LEU 71 Ca 0.69 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 3h50 s LEU 71 Cb -0.40 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3h50 s LEU 71 CO 0.31 0.07 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.59 3h50 s ILE 72 N 0.71 2.48 -0.59 6.68 1.01 0.35 -4.98 121.20 126.86 3h50 s ILE 72 Ca -0.12 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 3h50 s ILE 72 Cb -0.16 -2.00 0.14 0.00 0.01 0.00 0.00 42.46 40.45 3h50 s ILE 72 CO 0.02 0.54 0.58 0.00 0.00 0.00 0.00 174.94 176.08 3h50 s ALA 73 N 0.39 3.66 -0.65 9.38 0.00 -1.26 -0.52 121.76 132.75 3h50 s ALA 73 Ca -0.15 -2.59 -0.23 0.00 0.00 0.00 0.00 51.96 49.00 3h50 s ALA 73 Cb -0.17 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.66 3h50 s ALA 73 CO 0.07 -2.12 0.98 0.42 0.00 0.00 0.00 175.76 175.10 3h50 s ILE 74 N 1.63 4.30 0.48 0.00 1.01 0.22 -4.95 121.20 123.88 3h50 s ILE 74 Ca 0.07 -0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 3h50 s ILE 74 Cb -0.26 -4.68 -0.07 0.00 0.01 0.00 0.00 42.46 37.45 3h50 s ILE 74 CO 0.02 -1.45 1.35 -0.70 0.00 0.00 0.00 174.94 174.16 3h50 s GLU 75 N 4.14 3.56 0.13 2.79 2.12 -1.26 -0.49 118.70 129.69 3h50 s GLU 75 Ca 0.23 2.24 -0.34 0.00 0.36 0.00 0.00 54.97 57.46 3h50 s GLU 75 Cb -0.16 -2.51 -0.16 0.00 0.26 0.00 0.00 34.13 31.56 3h50 s GLU 75 CO 0.11 -0.86 1.20 2.89 -0.54 0.00 0.00 175.26 178.06 3h50 n ARG 76 N -0.45 1.05 0.00 4.30 1.85 -1.24 -1.30 116.66 120.87 3h50 n ARG 76 Ca 0.07 0.38 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 3h50 n ARG 76 Cb 0.44 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 3h50 n ARG 76 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3h50 n GLY 77 N 2.15 1.72 3.72 2.89 0.00 -0.29 -4.96 105.19 110.41 3h50 n GLY 77 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3h50 n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h50 s GLN 78 N -0.63 4.51 0.21 1.61 -0.21 -0.42 -4.89 119.66 119.84 3h50 s GLN 78 Ca 0.00 1.15 -0.30 0.00 0.02 0.00 0.00 55.36 56.22 3h50 s GLN 78 Cb 0.00 -3.43 -0.09 0.00 1.00 0.00 0.00 33.01 30.48 3h50 s GLN 78 CO 0.00 0.06 1.39 0.00 -2.12 0.00 0.00 175.29 174.62 3h50 s ALA 79 N 0.70 3.59 -0.05 6.09 0.00 -1.26 -4.48 121.76 126.35 3h50 s ALA 79 Ca 0.44 1.22 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 3h50 s ALA 79 Cb -0.20 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.41 3h50 s ALA 79 CO 0.23 -0.65 0.16 -3.38 0.00 0.00 0.00 175.76 172.13 3h50 s HIS 80 N 0.25 -0.15 -0.02 0.00 -3.43 -0.01 -1.49 115.29 110.43 3h50 s HIS 80 Ca 0.60 0.36 0.02 0.00 -0.80 0.00 0.00 55.06 55.23 3h50 s HIS 80 Cb -0.39 0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.81 3h50 s HIS 80 CO 0.39 -0.11 -0.06 -2.00 -2.00 0.00 0.00 174.74 170.95 3h50 s GLU 81 N -0.11 0.69 -0.19 -0.38 2.12 -0.08 -1.90 118.70 118.85 3h50 s GLU 81 Ca -0.02 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.11 3h50 s GLU 81 Cb -0.02 -0.67 0.03 0.00 0.26 0.00 0.00 34.13 33.73 3h50 s GLU 81 CO 0.00 0.08 -0.16 0.42 -0.54 0.00 0.00 175.26 175.06 3h50 s ILE 82 N 0.21 1.94 -0.10 -3.70 -1.09 -0.28 -0.38 121.20 117.80 3h50 s ILE 82 Ca -0.03 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 3h50 s ILE 82 Cb -0.07 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.93 3h50 s ILE 82 CO -0.00 0.38 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.87 3h50 s ARG 83 N 1.30 3.05 -0.30 2.79 0.52 0.39 -0.97 118.95 125.73 3h50 s ARG 83 Ca 0.02 -0.60 -0.26 0.00 -0.52 0.00 0.00 55.73 54.37 3h50 s ARG 83 Cb -0.15 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.70 3h50 s ARG 83 CO -0.11 0.47 0.89 1.21 0.02 0.00 0.00 175.30 177.78 3h50 s ASN 84 N -0.28 6.79 0.00 0.23 3.84 -0.32 -0.61 114.94 124.59 3h50 s ASN 84 Ca 0.03 0.87 0.14 0.00 0.21 0.00 0.00 52.86 54.11 3h50 s ASN 84 Cb -0.13 -2.46 0.07 0.00 -0.55 0.00 0.00 41.25 38.19 3h50 s ASN 84 CO 0.03 -0.68 0.88 0.35 -2.79 0.00 0.00 177.10 174.88 3h50 n THR 85 N 5.58 0.00 -2.67 -5.21 -2.24 -0.95 -3.62 114.28 105.17 3h50 n THR 85 Ca 0.07 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3h50 n THR 85 Cb 0.48 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 3h50 n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h50 n GLY 86 N 0.86 1.84 0.48 3.38 0.00 -1.19 -4.96 105.19 105.61 3h50 n GLY 86 Ca 0.07 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 44.07 3h50 n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h50 n ASP 87 N -2.17 2.64 -4.25 1.61 5.75 -1.26 -4.30 116.55 114.57 3h50 n ASP 87 Ca 0.00 -3.28 -0.14 0.00 -0.01 0.00 0.00 54.79 51.36 3h50 n ASP 87 Cb 0.00 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.49 3h50 n ASP 87 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3h50 s THR 88 N -2.97 0.88 0.51 2.12 -4.23 -1.26 -4.89 115.64 105.80 3h50 s THR 88 Ca 0.37 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.64 3h50 s THR 88 Cb 0.32 -2.06 -0.06 0.00 1.34 0.00 0.00 72.50 72.05 3h50 s THR 88 CO 0.03 -0.55 1.37 -2.84 -0.54 0.00 0.00 174.62 172.08 3h50 s PRO 89 N -3.85 3.34 -0.42 3.99 0.02 -1.26 -4.37 135.00 132.44 3h50 s PRO 89 Ca 0.22 2.26 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 3h50 s PRO 89 Cb 0.05 -2.39 0.03 0.00 0.02 0.00 0.00 34.50 32.21 3h50 s PRO 89 CO 0.03 -1.04 0.34 -1.17 -0.33 0.00 0.00 177.00 174.83 3h50 s LEU 90 N -3.25 5.10 -0.26 -5.54 2.96 -0.46 -4.12 118.68 113.12 3h50 s LEU 90 Ca 0.68 -0.89 -0.10 0.00 -0.22 0.00 0.00 54.13 53.59 3h50 s LEU 90 Cb -0.41 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 3h50 s LEU 90 CO 0.50 -0.50 0.16 -0.54 -1.32 0.00 0.00 176.35 174.65 3h50 s LYS 91 N 1.78 3.95 0.07 1.98 1.02 -0.48 -1.46 119.74 126.60 3h50 s LYS 91 Ca 0.06 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 55.78 3h50 s LYS 91 Cb -0.19 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 3h50 s LYS 91 CO 0.10 -0.09 -0.15 0.95 -0.92 0.00 0.00 175.35 175.25 3h50 s THR 92 N 1.47 1.16 0.05 2.17 -4.23 -1.26 -0.58 115.64 114.42 3h50 s THR 92 Ca 0.07 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 3h50 s THR 92 Cb -0.15 -1.11 -0.03 0.00 1.34 0.00 0.00 72.50 72.55 3h50 s THR 92 CO 0.08 -0.20 -0.22 0.54 -0.54 0.00 0.00 174.62 174.27 3h50 s VAL 93 N -1.24 2.47 -0.03 2.29 0.11 -0.52 -4.59 120.40 118.89 3h50 s VAL 93 Ca -0.01 -1.32 0.02 0.00 -2.93 0.00 0.00 61.98 57.74 3h50 s VAL 93 Cb -0.10 -2.01 0.01 0.00 -1.53 0.00 0.00 36.38 32.75 3h50 s VAL 93 CO 0.02 0.33 -0.06 0.20 -3.33 0.00 0.00 175.10 172.26 3h50 s ASN 94 N -1.39 0.93 -0.19 3.54 0.01 0.24 -0.88 114.94 117.19 3h50 s ASN 94 Ca 0.13 -0.14 0.01 0.00 -0.71 0.00 0.00 52.86 52.16 3h50 s ASN 94 Cb -0.10 -0.30 0.03 0.00 0.41 0.00 0.00 41.25 41.29 3h50 s ASN 94 CO 0.04 0.02 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.11 3h50 s PHE 95 N 0.38 2.86 -0.18 2.20 0.08 0.13 -0.89 117.98 122.57 3h50 s PHE 95 Ca -0.05 -1.74 -0.08 0.00 0.12 0.00 0.00 56.93 55.18 3h50 s PHE 95 Cb -0.09 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3h50 s PHE 95 CO 0.00 -0.81 0.09 0.71 -0.10 0.00 0.00 175.22 175.10 3h50 s TYR 96 N 1.27 3.33 -0.15 0.36 1.51 0.85 -0.58 117.35 123.93 3h50 s TYR 96 Ca 0.03 0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 56.24 3h50 s TYR 96 Cb -0.14 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.69 3h50 s TYR 96 CO -0.11 0.27 0.10 -1.58 -1.11 0.00 0.00 175.55 173.11 3h50 s HIS 97 N 0.16 0.12 1.26 2.71 2.46 -0.72 -1.21 115.29 120.08 3h50 s HIS 97 Ca 0.06 -0.14 -0.21 0.00 0.47 0.00 0.00 55.06 55.24 3h50 s HIS 97 Cb -0.12 -0.61 0.32 0.00 -0.13 0.00 0.00 32.58 32.04 3h50 s HIS 97 CO -0.00 -0.46 0.85 -0.35 -2.47 0.00 0.00 174.74 172.31 3h50 n PRO 98 N 5.29 -4.09 -1.84 2.88 -0.04 -1.26 -1.08 135.00 134.86 3h50 n PRO 98 Ca -0.06 -1.41 -0.37 0.00 -0.04 0.00 0.00 63.50 61.63 3h50 n PRO 98 Cb 0.49 -1.64 0.06 0.00 -0.04 0.00 0.00 33.50 32.37 3h50 n PRO 98 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3h50 s PRO 99 N -5.00 2.72 -0.00 0.54 0.02 -1.25 -4.63 135.00 127.40 3h50 s PRO 99 Ca 0.62 1.99 0.07 0.00 0.02 0.00 0.00 61.00 63.70 3h50 s PRO 99 Cb -0.09 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 3h50 s PRO 99 CO 0.50 -1.45 0.25 0.00 -0.33 0.00 0.00 177.00 175.98 3h50 n ALA 100 N -1.76 2.70 -2.85 -1.55 0.00 -1.26 -4.61 120.51 111.17 3h50 n ALA 100 Ca 0.15 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 3h50 n ALA 100 Cb 0.48 -0.25 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 3h50 n ALA 100 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h50 s TYR 101 N -1.96 0.44 0.33 0.00 2.02 -1.26 -0.89 117.35 116.03 3h50 s TYR 101 Ca 0.01 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3h50 s TYR 101 Cb 0.05 -0.28 0.07 0.00 -0.40 0.00 0.00 41.96 41.41 3h50 s TYR 101 CO 0.29 -0.07 0.46 -0.40 -1.57 0.00 0.00 175.55 174.26 3h50 n ASP 102 N 2.15 0.38 0.11 2.29 5.68 0.32 -4.77 116.55 122.71 3h50 n ASP 102 Ca -0.19 -1.38 0.12 0.00 -0.50 0.00 0.00 54.79 52.85 3h50 n ASP 102 Cb 0.56 -0.32 0.46 0.00 -1.14 0.00 0.00 41.12 40.69 3h50 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h50 n ALA 103 N -3.09 1.92 1.59 2.12 0.00 -1.26 -1.86 120.51 119.93 3h50 n ALA 103 Ca -0.07 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3h50 n ALA 103 Cb 0.24 -1.42 0.57 0.00 0.00 0.00 0.00 19.45 18.84 3h50 n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h50 n GLN 104 N -2.20 1.46 -1.21 0.00 6.02 -1.26 -4.94 117.38 115.25 3h50 n GLN 104 Ca 0.04 -0.67 -0.07 0.00 -0.01 0.00 0.00 57.00 56.28 3h50 n GLN 104 Cb 0.31 -1.43 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 3h50 n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h50 n GLY 105 N 1.07 0.93 3.88 1.08 0.00 -0.78 -5.04 105.19 106.33 3h50 n GLY 105 Ca 0.18 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 3h50 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h50 s GLU 106 N -2.57 3.72 0.27 1.61 0.41 -1.26 -4.84 118.70 116.05 3h50 s GLU 106 Ca 0.00 0.11 -0.30 0.00 -0.41 0.00 0.00 54.97 54.36 3h50 s GLU 106 Cb 0.00 -2.90 -0.11 0.00 -1.78 0.00 0.00 34.13 29.33 3h50 s GLU 106 CO 0.00 0.50 1.61 -2.14 -0.49 0.00 0.00 175.26 174.74 3h50 s PRO 107 N -2.26 4.13 0.94 0.39 0.02 -1.26 -0.52 135.00 136.43 3h50 s PRO 107 Ca 0.37 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.84 3h50 s PRO 107 Cb -0.13 -3.04 0.15 0.00 0.02 0.00 0.00 34.50 31.50 3h50 s PRO 107 CO 0.20 -0.65 1.09 -0.51 -0.33 0.00 0.00 177.00 176.81 3h50 s LEU 108 N -0.08 2.00 0.29 -5.54 1.43 -0.07 -4.76 118.68 111.94 3h50 s LEU 108 Ca 0.66 1.40 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 3h50 s LEU 108 Cb -0.48 -3.73 0.72 0.00 0.03 0.00 0.00 46.19 42.74 3h50 s LEU 108 CO 0.44 -2.87 1.68 -0.65 0.23 0.00 0.00 176.35 175.19 3h50 h PRO 109 N -1.71 0.34 0.00 1.29 0.11 -1.94 0.22 132.00 130.31 3h50 h PRO 109 Ca -0.51 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3h50 h PRO 109 Cb 1.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3h50 h PRO 109 CO 0.55 0.22 -0.18 0.00 -0.21 0.00 0.00 178.00 178.38 3h50 h ALA 110 N 1.72 1.59 -0.00 -0.75 0.00 -1.87 -2.41 119.26 117.53 3h50 h ALA 110 Ca 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3h50 h ALA 110 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h50 h ALA 110 CO -0.56 0.23 -0.20 0.41 0.00 0.00 0.00 179.25 179.13 3h50 n GLY 111 N -0.92 -1.40 3.86 0.00 0.00 0.01 -0.48 105.19 106.26 3h50 n GLY 111 Ca -0.02 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3h50 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h50 s GLU 112 N -3.00 3.52 0.00 1.61 2.02 -0.88 -4.38 118.70 117.58 3h50 s GLU 112 Ca 0.13 0.79 0.17 0.00 0.02 0.00 0.00 54.97 56.08 3h50 s GLU 112 Cb 0.18 -2.07 1.04 0.00 0.10 0.00 0.00 34.13 33.39 3h50 s GLU 112 CO 0.60 -0.64 1.44 0.41 0.02 0.00 0.00 175.26 177.09