#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgs n PRO 11 N 0.00 0.12 -3.81 0.00 -0.04 -1.26 -4.70 135.00 125.31 3kgs n PRO 11 Ca 0.00 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 3kgs n PRO 11 Cb 0.00 -1.65 -0.17 0.00 -0.04 0.00 0.00 33.50 31.63 3kgs n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kgs s LEU 12 N -3.74 0.65 -0.01 1.53 2.96 -1.26 0.20 118.68 119.01 3kgs s LEU 12 Ca 0.11 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3kgs s LEU 12 Cb 0.15 -0.40 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 3kgs s LEU 12 CO 0.52 -0.18 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.91 3kgs s MET 13 N 1.84 1.10 -0.10 1.98 -2.45 -0.01 -4.44 119.30 117.22 3kgs s MET 13 Ca 0.03 -0.50 0.03 0.00 -1.25 0.00 0.00 55.69 53.99 3kgs s MET 13 Cb -0.12 -1.07 0.01 0.00 1.25 0.00 0.00 34.83 34.90 3kgs s MET 13 CO -0.04 0.29 -0.19 0.08 1.05 0.00 0.00 175.02 176.21 3kgs s VAL 14 N -0.35 1.70 -0.06 10.11 1.01 -1.00 -0.90 120.40 130.91 3kgs s VAL 14 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3kgs s VAL 14 Cb -0.05 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3kgs s VAL 14 CO -0.00 0.48 -0.20 -0.75 0.00 0.00 0.00 175.10 174.63 3kgs s LYS 15 N 0.64 2.61 -0.07 2.72 2.20 0.84 -0.66 119.74 128.02 3kgs s LYS 15 Ca -0.13 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.69 3kgs s LYS 15 Cb -0.16 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.88 3kgs s LYS 15 CO 0.04 0.46 -0.12 0.08 -0.36 0.00 0.00 175.35 175.44 3kgs s VAL 16 N -0.32 1.12 0.09 4.02 1.01 0.22 -0.10 120.40 126.45 3kgs s VAL 16 Ca 0.02 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.64 3kgs s VAL 16 Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3kgs s VAL 16 CO 0.02 0.35 -0.27 -0.76 0.00 0.00 0.00 175.10 174.45 3kgs s LEU 17 N 0.75 2.26 -0.36 3.92 1.43 0.01 -0.96 118.68 125.73 3kgs s LEU 17 Ca -0.13 -0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 3kgs s LEU 17 Cb -0.16 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.82 3kgs s LEU 17 CO 0.03 0.21 0.22 -0.62 0.23 0.00 0.00 176.35 176.42 3kgs s ASP 18 N -1.72 5.85 0.00 2.29 -1.08 0.49 -0.79 116.67 121.71 3kgs s ASP 18 Ca 0.13 -0.70 0.29 0.00 -0.52 0.00 0.00 52.55 51.75 3kgs s ASP 18 Cb -0.10 -2.08 1.33 0.00 -1.46 0.00 0.00 42.92 40.61 3kgs s ASP 18 CO 0.04 -0.31 1.94 0.00 0.52 0.00 0.00 175.17 177.37 3kgs n ALA 19 N 5.06 2.57 0.01 3.66 0.00 0.16 -1.13 120.51 130.83 3kgs n ALA 19 Ca -0.12 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 3kgs n ALA 19 Cb 0.48 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 3kgs n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kgs h VAL 20 N 0.11 1.09 0.00 0.00 2.07 -1.94 -3.39 116.25 114.19 3kgs h VAL 20 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3kgs h VAL 20 Cb 0.37 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3kgs h VAL 20 CO 0.00 0.71 -1.18 0.54 0.02 0.00 0.00 177.57 177.65 3kgs n ARG 21 N -3.94 0.24 -3.17 1.57 1.74 -1.22 -4.99 116.66 106.87 3kgs n ARG 21 Ca -0.24 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.66 3kgs n ARG 21 Cb 0.89 -1.54 0.07 0.00 -1.02 0.00 0.00 32.46 30.87 3kgs n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kgs n GLY 22 N 1.40 -0.68 3.31 -0.13 0.00 -0.29 -5.04 105.19 103.78 3kgs n GLY 22 Ca 0.02 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 3kgs n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kgs s SER 23 N -3.73 -0.00 0.61 1.61 1.04 -1.08 -5.01 113.70 107.15 3kgs s SER 23 Ca 0.24 -0.68 -0.19 0.00 0.48 0.00 0.00 55.95 55.80 3kgs s SER 23 Cb -0.03 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3kgs s SER 23 CO 0.66 -0.85 1.25 -0.81 0.98 0.00 0.00 173.24 174.47 3kgs n PRO 24 N -0.18 1.24 -3.22 4.02 -0.04 -1.26 -0.38 135.00 135.18 3kgs n PRO 24 Ca -0.11 0.47 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 3kgs n PRO 24 Cb 0.63 -2.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.55 3kgs n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgs s ALA 25 N -1.38 3.40 0.14 0.55 0.00 -0.13 -4.57 121.76 119.77 3kgs s ALA 25 Ca 0.78 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 3kgs s ALA 25 Cb -0.40 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3kgs s ALA 25 CO 0.44 -1.82 0.45 -1.50 0.00 0.00 0.00 175.76 173.33 3kgs s ILE 26 N 2.43 5.04 -1.70 0.00 -1.16 -1.26 -4.34 121.20 120.20 3kgs s ILE 26 Ca 0.15 0.42 -0.02 0.00 -0.51 0.00 0.00 60.65 60.69 3kgs s ILE 26 Cb -0.18 -3.65 0.00 0.00 0.61 0.00 0.00 42.46 39.24 3kgs s ILE 26 CO 0.13 0.14 0.22 0.59 -2.81 0.00 0.00 174.94 173.22 3kgs n ASN 27 N 0.46 -6.00 -4.66 4.50 3.02 -0.53 -4.93 115.26 107.12 3kgs n ASN 27 Ca -0.04 -0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 3kgs n ASN 27 Cb 0.52 -4.94 -0.05 0.00 -0.61 0.00 0.00 39.78 34.70 3kgs n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kgs s VAL 28 N -3.09 4.94 0.28 2.41 1.01 -1.26 -4.73 120.40 119.96 3kgs s VAL 28 Ca 0.11 1.43 -0.20 0.00 0.00 0.00 0.00 61.98 63.32 3kgs s VAL 28 Cb -0.05 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3kgs s VAL 28 CO 0.14 0.06 0.79 0.00 0.00 0.00 0.00 175.10 176.08 3kgs s ALA 29 N 2.09 3.32 0.02 5.51 0.00 -1.26 -1.11 121.76 130.34 3kgs s ALA 29 Ca 0.34 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 3kgs s ALA 29 Cb -0.16 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.08 3kgs s ALA 29 CO 0.11 0.28 0.33 0.00 0.00 0.00 0.00 175.76 176.48 3kgs s MET 30 N -2.35 0.78 -0.04 0.00 0.23 -0.18 -0.47 119.30 117.27 3kgs s MET 30 Ca 0.49 -0.38 0.04 0.00 -1.03 0.00 0.00 55.69 54.81 3kgs s MET 30 Cb -0.15 0.34 -0.00 0.00 -1.53 0.00 0.00 34.83 33.50 3kgs s MET 30 CO 0.20 -0.24 -0.16 -1.01 -2.03 0.00 0.00 175.02 171.78 3kgs s HIS 31 N -2.14 1.58 -0.11 3.16 3.76 -0.61 -1.88 115.29 119.06 3kgs s HIS 31 Ca -0.08 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 3kgs s HIS 31 Cb -0.02 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 3kgs s HIS 31 CO -0.01 -0.16 -0.05 0.08 -0.85 0.00 0.00 174.74 173.75 3kgs s VAL 32 N 0.08 3.82 0.15 -0.90 1.01 0.25 -0.42 120.40 124.38 3kgs s VAL 32 Ca -0.04 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3kgs s VAL 32 Cb -0.11 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3kgs s VAL 32 CO 0.02 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.13 3kgs s PHE 33 N -0.27 1.77 -0.04 5.22 0.40 0.47 -0.21 117.98 125.31 3kgs s PHE 33 Ca 0.04 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 3kgs s PHE 33 Cb -0.13 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.49 3kgs s PHE 33 CO 0.02 0.28 -0.19 0.50 0.70 0.00 0.00 175.22 176.54 3kgs s ARG 34 N -2.57 1.93 -0.04 0.44 3.52 0.21 -0.76 118.95 121.67 3kgs s ARG 34 Ca 0.13 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.75 3kgs s ARG 34 Cb -0.07 -1.68 -0.05 0.00 -1.56 0.00 0.00 34.95 31.60 3kgs s ARG 34 CO 0.06 0.29 1.47 0.21 -0.81 0.00 0.00 175.30 176.51 3kgs s LYS 35 N -0.05 4.24 0.77 5.12 2.20 0.11 -1.34 119.74 130.78 3kgs s LYS 35 Ca -0.03 2.00 -0.10 0.00 -0.36 0.00 0.00 55.97 57.48 3kgs s LYS 35 Cb -0.12 -3.73 0.07 0.00 -1.51 0.00 0.00 37.83 32.54 3kgs s LYS 35 CO 0.02 -0.69 1.11 0.00 -0.36 0.00 0.00 175.35 175.44 3kgs s ALA 36 N 3.11 2.85 0.29 3.13 0.00 0.17 -4.68 121.76 126.63 3kgs s ALA 36 Ca 0.66 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.90 3kgs s ALA 36 Cb -0.31 -2.82 0.65 0.00 0.00 0.00 0.00 23.12 20.64 3kgs s ALA 36 CO 0.26 -1.53 1.81 0.00 0.00 0.00 0.00 175.76 176.30 3kgs h ALA 37 N -0.88 1.60 -0.05 0.00 0.00 -1.95 -0.34 119.26 117.65 3kgs h ALA 37 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kgs h ALA 37 Cb 1.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kgs h ALA 37 CO 0.64 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 3kgs n ASP 38 N -4.68 0.87 -0.40 0.00 5.75 -1.26 -4.88 116.55 111.94 3kgs n ASP 38 Ca 0.21 -2.04 -0.05 0.00 -0.01 0.00 0.00 54.79 52.90 3kgs n ASP 38 Cb 0.46 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 3kgs n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kgs n ASP 39 N -0.13 -4.58 -4.94 -1.12 8.00 -0.14 -5.02 116.55 108.62 3kgs n ASP 39 Ca 0.02 0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.41 3kgs n ASP 39 Cb 0.20 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.12 38.74 3kgs n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kgs s THR 40 N -1.88 5.18 -0.42 -3.53 -4.23 -1.26 -4.82 115.64 104.69 3kgs s THR 40 Ca 0.00 -0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 59.68 3kgs s THR 40 Cb 0.00 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.04 3kgs s THR 40 CO 0.00 -0.37 0.89 0.26 -0.54 0.00 0.00 174.62 174.86 3kgs s TRP 41 N -2.07 3.00 -0.10 3.99 0.52 -1.26 -0.66 118.94 122.36 3kgs s TRP 41 Ca 0.38 0.50 -0.09 0.00 0.02 0.00 0.00 56.10 56.91 3kgs s TRP 41 Cb -0.10 -3.77 -0.04 0.00 -1.15 0.00 0.00 33.47 28.41 3kgs s TRP 41 CO 0.32 -0.96 0.20 -1.21 0.02 0.00 0.00 176.95 175.32 3kgs s GLU 42 N 3.54 3.59 0.17 4.98 2.02 -0.45 -4.90 118.70 127.65 3kgs s GLU 42 Ca 0.36 -0.00 -0.34 0.00 0.02 0.00 0.00 54.97 55.01 3kgs s GLU 42 Cb -0.11 -3.21 -0.14 0.00 0.10 0.00 0.00 34.13 30.77 3kgs s GLU 42 CO 0.22 0.73 1.47 -2.30 0.02 0.00 0.00 175.26 175.40 3kgs n PRO 43 N 2.02 1.89 -0.02 0.39 -0.02 -1.26 -0.62 135.00 137.39 3kgs n PRO 43 Ca -0.18 0.68 -0.03 0.00 -2.02 0.00 0.00 63.50 61.94 3kgs n PRO 43 Cb 0.54 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3kgs n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kgs n PHE 44 N 2.75 0.00 -3.58 6.00 7.35 0.70 -4.74 117.46 125.94 3kgs n PHE 44 Ca 0.16 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.76 3kgs n PHE 44 Cb 0.28 -0.11 -0.02 0.00 0.35 0.00 0.00 39.48 39.97 3kgs n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kgs s ALA 45 N -2.06 -1.65 0.19 3.13 0.00 -0.83 -5.00 121.76 115.53 3kgs s ALA 45 Ca -0.04 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 3kgs s ALA 45 Cb 0.02 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.82 3kgs s ALA 45 CO 0.06 -0.83 0.53 -1.54 0.00 0.00 0.00 175.76 173.97 3kgs s SER 46 N -2.71 -0.30 0.00 0.00 1.04 -1.26 0.87 113.70 111.34 3kgs s SER 46 Ca 0.06 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3kgs s SER 46 Cb -0.02 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3kgs s SER 46 CO -0.06 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.74 3kgs n GLY 47 N -0.34 -1.28 3.20 7.32 0.00 -0.79 -4.97 105.19 108.34 3kgs n GLY 47 Ca -0.11 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 3kgs n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgs s LYS 48 N -1.30 1.18 0.49 1.61 1.02 -1.26 -1.01 119.74 120.46 3kgs s LYS 48 Ca 0.00 -0.83 -0.22 0.00 0.02 0.00 0.00 55.97 54.93 3kgs s LYS 48 Cb 0.00 -1.24 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 3kgs s LYS 48 CO 0.00 0.31 1.22 0.95 -0.92 0.00 0.00 175.35 176.91 3kgs s THR 49 N -0.79 2.82 0.38 2.17 -4.23 -0.26 -4.70 115.64 111.03 3kgs s THR 49 Ca 0.05 0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 61.12 3kgs s THR 49 Cb -0.08 -3.31 0.09 0.00 1.34 0.00 0.00 72.50 70.54 3kgs s THR 49 CO 0.01 -0.01 0.52 -1.54 -0.54 0.00 0.00 174.62 173.06 3kgs n SER 50 N -0.68 0.15 0.33 3.99 3.41 0.14 -1.45 113.62 119.51 3kgs n SER 50 Ca 0.08 -1.25 0.21 0.00 -0.26 0.00 0.00 58.87 57.65 3kgs n SER 50 Cb 0.47 -0.38 1.14 0.00 -0.26 0.00 0.00 64.21 65.18 3kgs n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kgs h GLU 51 N 0.00 0.00 -0.02 4.33 5.08 -1.94 0.27 114.58 122.31 3kgs h GLU 51 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3kgs h GLU 51 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kgs h GLU 51 CO 0.13 0.00 -0.01 0.43 -1.00 0.00 0.00 179.01 178.56 3kgs n SER 52 N -3.26 1.66 -0.09 1.42 7.64 -1.26 -4.81 113.62 114.92 3kgs n SER 52 Ca -0.03 -1.54 -0.01 0.00 1.01 0.00 0.00 58.87 58.29 3kgs n SER 52 Cb 0.09 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 3kgs n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgs n GLY 53 N 1.20 0.50 3.64 0.23 0.00 0.09 -4.77 105.19 106.08 3kgs n GLY 53 Ca 0.18 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 3kgs n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgs s GLU 54 N -1.17 2.55 -0.22 1.61 2.02 -1.26 -0.61 118.70 121.61 3kgs s GLU 54 Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3kgs s GLU 54 Cb 0.00 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.76 3kgs s GLU 54 CO 0.00 0.58 -0.07 -1.17 0.02 0.00 0.00 175.26 174.62 3kgs s LEU 55 N -1.83 2.50 0.33 1.80 2.96 0.17 -0.68 118.68 123.93 3kgs s LEU 55 Ca 0.21 -1.10 0.08 0.00 -0.22 0.00 0.00 54.13 53.10 3kgs s LEU 55 Cb -0.11 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 3kgs s LEU 55 CO 0.12 -0.21 0.26 -1.00 -1.32 0.00 0.00 176.35 174.20 3kgs s HIS 56 N 1.39 2.88 -0.15 5.38 3.76 -1.26 -2.38 115.29 124.90 3kgs s HIS 56 Ca -0.05 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3kgs s HIS 56 Cb -0.18 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.76 3kgs s HIS 56 CO -0.07 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 3kgs n GLY 57 N -1.32 0.51 0.29 -2.22 0.00 -1.26 -4.92 105.19 96.27 3kgs n GLY 57 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.56 3kgs n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kgs h LEU 58 N 0.00 0.44 0.00 0.99 3.38 -1.86 -3.47 115.31 114.79 3kgs h LEU 58 Ca -0.03 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3kgs h LEU 58 Cb 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kgs h LEU 58 CO 0.04 0.41 -0.01 1.07 0.09 0.00 0.00 178.44 180.05 3kgs n THR 59 N -4.39 0.00 -4.38 0.22 5.66 -1.26 -4.81 114.28 105.33 3kgs n THR 59 Ca 0.02 -1.02 -0.19 0.00 -3.05 0.00 0.00 64.05 59.80 3kgs n THR 59 Cb 0.15 0.71 -0.10 0.00 -1.55 0.00 0.00 70.33 69.54 3kgs n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kgs s THR 60 N -2.60 1.55 0.26 1.09 -4.23 -1.26 -4.63 115.64 105.82 3kgs s THR 60 Ca 0.17 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 3kgs s THR 60 Cb -0.02 -2.26 0.23 0.00 1.34 0.00 0.00 72.50 71.79 3kgs s THR 60 CO 0.12 -0.43 1.74 -0.33 -0.54 0.00 0.00 174.62 175.18 3kgs h GLU 61 N 2.43 0.49 -0.20 3.99 5.08 -1.98 -0.77 114.58 123.62 3kgs h GLU 61 Ca -0.39 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 57.75 3kgs h GLU 61 Cb 1.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3kgs h GLU 61 CO 0.65 0.33 -0.64 1.49 -1.00 0.00 0.00 179.01 179.84 3kgs h GLU 62 N 0.51 0.73 -0.01 2.33 4.81 -2.03 -3.23 114.58 117.69 3kgs h GLU 62 Ca 0.45 -0.52 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 3kgs h GLU 62 Cb 0.68 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3kgs h GLU 62 CO -0.40 1.14 -0.81 1.49 -0.73 0.00 0.00 179.01 179.70 3kgs h GLU 63 N 0.54 0.16 -3.73 1.92 4.81 -1.89 -3.38 114.58 113.01 3kgs h GLU 63 Ca -0.01 -0.16 -0.72 0.00 -0.13 0.00 0.00 59.36 58.34 3kgs h GLU 63 Cb 1.24 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 3kgs h GLU 63 CO 0.13 0.89 2.97 0.34 -0.73 0.00 0.00 179.01 182.60 3kgs n PHE 64 N -3.69 3.25 -1.63 0.92 7.35 -0.33 -4.95 117.46 118.39 3kgs n PHE 64 Ca -0.03 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.42 3kgs n PHE 64 Cb 0.76 -2.40 0.15 0.00 0.35 0.00 0.00 39.48 38.34 3kgs n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3kgs s VAL 65 N 2.35 1.95 0.34 -2.13 -7.23 -1.26 -4.95 120.40 109.47 3kgs s VAL 65 Ca 0.48 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.39 3kgs s VAL 65 Cb 0.14 -2.81 -0.13 0.00 0.56 0.00 0.00 36.38 34.14 3kgs s VAL 65 CO -0.07 0.00 0.98 -0.62 -0.31 0.00 0.00 175.10 175.08 3kgs n GLU 66 N -3.81 1.32 0.00 4.82 1.02 -1.26 -4.84 120.64 117.89 3kgs n GLU 66 Ca 0.09 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3kgs n GLU 66 Cb 0.60 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3kgs n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgs n GLY 67 N 1.24 -0.38 3.65 0.62 0.00 -1.09 -5.00 105.19 104.23 3kgs n GLY 67 Ca 0.09 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 3kgs n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgs s ILE 68 N -2.00 5.28 0.10 -0.61 1.01 -1.26 -0.39 121.20 123.33 3kgs s ILE 68 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.13 3kgs s ILE 68 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3kgs s ILE 68 CO 0.00 0.29 -0.19 -0.31 0.00 0.00 0.00 174.94 174.73 3kgs s TYR 69 N 1.32 2.52 -0.07 3.97 1.51 0.10 -0.72 117.35 125.99 3kgs s TYR 69 Ca 0.12 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3kgs s TYR 69 Cb -0.14 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 3kgs s TYR 69 CO 0.07 0.35 -0.11 0.21 -1.11 0.00 0.00 175.55 174.95 3kgs s LYS 70 N -1.98 1.64 -0.22 -0.62 2.20 0.06 -0.93 119.74 119.89 3kgs s LYS 70 Ca 0.17 -0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.35 3kgs s LYS 70 Cb -0.10 -1.39 -0.01 0.00 -1.51 0.00 0.00 37.83 34.82 3kgs s LYS 70 CO 0.09 0.00 -0.03 0.08 -0.36 0.00 0.00 175.35 175.13 3kgs s VAL 71 N 0.74 3.56 -0.33 4.02 1.01 0.52 -0.39 120.40 129.53 3kgs s VAL 71 Ca -0.13 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3kgs s VAL 71 Cb -0.16 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.63 3kgs s VAL 71 CO 0.03 0.42 0.10 -1.61 0.00 0.00 0.00 175.10 174.03 3kgs s GLU 72 N 1.40 2.80 -0.24 2.72 2.02 0.44 -1.08 118.70 126.75 3kgs s GLU 72 Ca 0.05 -1.06 -0.13 0.00 0.02 0.00 0.00 54.97 53.85 3kgs s GLU 72 Cb -0.14 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 3kgs s GLU 72 CO -0.01 -0.59 0.28 0.42 0.02 0.00 0.00 175.26 175.38 3kgs s ILE 73 N 1.44 5.27 -1.38 -1.63 1.01 0.93 -1.57 121.20 125.27 3kgs s ILE 73 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.92 3kgs s ILE 73 Cb -0.19 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.71 3kgs s ILE 73 CO 0.03 0.27 2.04 -0.67 0.00 0.00 0.00 174.94 176.61 3kgs n ASP 74 N 4.61 4.19 0.14 3.58 2.03 0.38 -1.50 116.55 129.97 3kgs n ASP 74 Ca -0.11 -2.86 -0.01 0.00 0.52 0.00 0.00 54.79 52.32 3kgs n ASP 74 Cb 0.51 -1.67 0.19 0.00 -0.72 0.00 0.00 41.12 39.43 3kgs n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3kgs h THR 75 N 4.61 1.41 -0.44 5.18 1.35 -1.85 -3.20 112.91 119.96 3kgs h THR 75 Ca 0.52 -1.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3kgs h THR 75 Cb 0.73 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 69.17 3kgs h THR 75 CO 1.73 0.56 0.27 0.50 -0.25 0.00 0.00 175.52 178.33 3kgs h LYS 76 N 0.03 0.59 -0.66 4.72 3.64 -1.73 -1.96 116.57 121.19 3kgs h LYS 76 Ca -0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3kgs h LYS 76 Cb 1.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 3kgs h LYS 76 CO 0.08 0.42 0.24 0.77 -2.27 0.00 0.00 179.45 178.69 3kgs h SER 77 N 0.58 0.91 0.13 4.20 0.02 -1.86 -0.19 113.55 117.35 3kgs h SER 77 Ca 0.16 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3kgs h SER 77 Cb -0.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3kgs h SER 77 CO -0.03 0.83 -0.25 0.22 -1.14 0.00 0.00 176.83 176.46 3kgs h TYR 78 N 0.97 -0.68 -0.41 3.45 3.20 -1.47 -1.49 116.97 120.55 3kgs h TYR 78 Ca 0.22 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 3kgs h TYR 78 Cb 0.23 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3kgs h TYR 78 CO 0.02 -0.36 -0.01 -1.49 -1.64 0.00 0.00 178.16 174.68 3kgs h TRP 79 N -0.47 0.79 -0.59 -3.82 4.06 -1.13 -2.99 115.95 111.80 3kgs h TRP 79 Ca 0.03 -0.14 0.05 0.00 2.06 0.00 0.00 58.89 60.89 3kgs h TRP 79 Cb 0.49 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.39 3kgs h TRP 79 CO -0.23 0.81 0.31 0.87 -3.56 0.00 0.00 178.44 176.64 3kgs h LYS 80 N 0.55 0.58 0.00 0.49 1.79 -0.54 0.30 116.57 119.73 3kgs h LYS 80 Ca 0.11 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3kgs h LYS 80 Cb 0.50 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3kgs h LYS 80 CO 0.02 0.38 -0.02 0.00 -1.08 0.00 0.00 179.45 178.76 3kgs h ALA 81 N 1.32 1.14 -0.61 3.86 0.00 -1.13 -1.26 119.26 122.58 3kgs h ALA 81 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kgs h ALA 81 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kgs h ALA 81 CO -0.17 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.38 3kgs n LEU 82 N -3.31 3.36 0.00 0.00 4.77 -0.06 -4.94 117.00 116.82 3kgs n LEU 82 Ca -0.02 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 3kgs n LEU 82 Cb 0.13 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3kgs n LEU 82 CO 0.24 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3kgs n GLY 83 N 1.50 0.74 3.71 -0.72 0.00 -0.47 -5.05 105.19 104.90 3kgs n GLY 83 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3kgs n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgs s ILE 84 N -2.93 4.97 -0.58 -0.61 1.01 -0.28 -4.95 121.20 117.82 3kgs s ILE 84 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 3kgs s ILE 84 Cb 0.00 -3.21 0.09 0.00 0.01 0.00 0.00 42.46 39.36 3kgs s ILE 84 CO 0.00 0.51 0.70 -0.44 0.00 0.00 0.00 174.94 175.72 3kgs s SER 85 N -0.12 6.19 0.77 3.58 0.01 -1.26 -2.21 113.70 120.66 3kgs s SER 85 Ca 0.08 -1.30 -0.09 0.00 1.31 0.00 0.00 55.95 55.95 3kgs s SER 85 Cb -0.12 -2.31 0.09 0.00 0.21 0.00 0.00 66.02 63.90 3kgs s SER 85 CO 0.01 -1.09 1.09 -2.16 0.41 0.00 0.00 173.24 171.50 3kgs s PRO 86 N 2.76 1.86 -0.06 12.44 0.04 -1.26 -5.01 135.00 145.76 3kgs s PRO 86 Ca 0.13 -0.29 -0.22 0.00 0.04 0.00 0.00 61.00 60.66 3kgs s PRO 86 Cb -0.23 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.05 3kgs s PRO 86 CO 0.08 -1.51 0.88 0.35 0.04 0.00 0.00 177.00 176.83 3kgs h PHE 87 N -0.84 -0.13 -3.77 0.56 3.57 -1.17 -3.47 116.94 111.69 3kgs h PHE 87 Ca -0.44 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.57 3kgs h PHE 87 Cb 1.30 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 3kgs h PHE 87 CO 0.04 0.39 0.23 -1.01 -2.23 0.00 0.00 178.31 175.73 3kgs s HIS 88 N -3.27 3.60 0.20 0.41 3.76 -1.26 -4.96 115.29 113.76 3kgs s HIS 88 Ca -0.14 1.56 -0.02 0.00 -0.15 0.00 0.00 55.06 56.31 3kgs s HIS 88 Cb 0.00 -2.76 0.13 0.00 1.11 0.00 0.00 32.58 31.06 3kgs s HIS 88 CO 0.52 0.21 1.51 0.93 -0.85 0.00 0.00 174.74 177.06 3kgs h GLU 89 N 3.03 0.50 -2.72 1.40 4.39 -1.97 -3.37 114.58 115.83 3kgs h GLU 89 Ca -0.48 -0.33 0.10 0.00 0.34 0.00 0.00 59.36 59.00 3kgs h GLU 89 Cb 1.19 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 3kgs h GLU 89 CO 0.65 0.93 0.37 -3.38 -1.16 0.00 0.00 179.01 176.42 3kgs s HIS 90 N -3.94 -0.08 -0.17 4.33 -3.43 -1.26 -3.47 115.29 107.26 3kgs s HIS 90 Ca -0.07 -0.37 -0.03 0.00 -0.80 0.00 0.00 55.06 53.79 3kgs s HIS 90 Cb 0.11 0.71 -0.02 0.00 -1.43 0.00 0.00 32.58 31.95 3kgs s HIS 90 CO 0.83 -1.13 -0.05 0.00 -2.00 0.00 0.00 174.74 172.39 3kgs s ALA 91 N -3.18 2.89 0.01 -1.38 0.00 -0.56 -4.89 121.76 114.64 3kgs s ALA 91 Ca 0.14 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.19 3kgs s ALA 91 Cb -0.04 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 3kgs s ALA 91 CO 0.06 -0.00 -0.10 -1.21 0.00 0.00 0.00 175.76 174.51 3kgs s GLU 92 N 0.75 2.45 -0.19 0.00 2.02 -1.26 -0.05 118.70 122.41 3kgs s GLU 92 Ca -0.02 -0.78 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 3kgs s GLU 92 Cb -0.15 -2.43 0.05 0.00 0.10 0.00 0.00 34.13 31.71 3kgs s GLU 92 CO 0.02 0.59 -0.05 0.08 0.02 0.00 0.00 175.26 175.92 3kgs s VAL 93 N -0.96 1.21 -0.16 2.63 1.01 -0.25 -4.97 120.40 118.91 3kgs s VAL 93 Ca 0.16 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3kgs s VAL 93 Cb -0.11 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 3kgs s VAL 93 CO 0.07 0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.35 3kgs s VAL 94 N 1.57 2.78 -0.02 2.92 1.01 -1.26 -0.36 120.40 127.04 3kgs s VAL 94 Ca -0.02 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3kgs s VAL 94 Cb -0.17 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.07 3kgs s VAL 94 CO -0.07 0.50 0.46 0.72 0.00 0.00 0.00 175.10 176.71 3kgs s PHE 95 N 0.90 -0.37 -0.06 5.22 -0.71 -0.11 -4.98 117.98 117.87 3kgs s PHE 95 Ca -0.03 0.58 -0.27 0.00 -1.04 0.00 0.00 56.93 56.17 3kgs s PHE 95 Cb -0.15 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.86 3kgs s PHE 95 CO -0.01 -0.49 0.85 0.99 -1.34 0.00 0.00 175.22 175.22 3kgs s THR 96 N -1.42 4.94 0.01 -4.49 2.01 -1.26 0.03 115.64 115.46 3kgs s THR 96 Ca -0.12 1.76 0.05 0.00 0.31 0.00 0.00 61.69 63.69 3kgs s THR 96 Cb -0.03 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 3kgs s THR 96 CO 0.06 0.17 -0.14 0.00 -0.69 0.00 0.00 174.62 174.01 3kgs s ALA 97 N 1.15 2.73 -1.76 7.40 0.00 0.48 -4.78 121.76 126.98 3kgs s ALA 97 Ca 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3kgs s ALA 97 Cb -0.19 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3kgs s ALA 97 CO 0.21 0.58 0.00 0.09 0.00 0.00 0.00 175.76 176.65 3kgs n ASN 98 N 1.69 -5.17 -0.36 0.00 3.02 -1.26 -2.68 115.26 110.49 3kgs n ASN 98 Ca -0.16 0.28 0.08 0.00 -0.03 0.00 0.00 54.58 54.74 3kgs n ASN 98 Cb 0.52 -4.25 0.25 0.00 -0.61 0.00 0.00 39.78 35.70 3kgs n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3kgs h ASP 99 N 0.00 0.92 -0.60 6.41 3.58 -1.93 -2.42 116.42 122.38 3kgs h ASP 99 Ca -0.39 0.05 -0.33 0.00 0.42 0.00 0.00 57.03 56.79 3kgs h ASP 99 Cb 1.22 -0.13 -0.19 0.00 1.72 0.00 0.00 39.33 41.94 3kgs h ASP 99 CO 0.52 0.47 0.15 -1.20 -2.88 0.00 0.00 179.24 176.30 3kgs n SER 100 N -4.63 3.24 0.00 2.28 7.64 -1.26 -5.04 113.62 115.85 3kgs n SER 100 Ca 0.19 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.33 3kgs n SER 100 Cb 0.38 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3kgs n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgs n GLY 101 N -1.10 1.58 3.75 0.23 0.00 -0.91 -5.01 105.19 103.72 3kgs n GLY 101 Ca 0.43 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 3kgs n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kgs s PRO 102 N -2.02 4.19 0.20 1.61 0.02 -1.26 -4.35 135.00 133.39 3kgs s PRO 102 Ca 0.00 2.45 0.05 0.00 0.02 0.00 0.00 61.00 63.52 3kgs s PRO 102 Cb 0.00 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 3kgs s PRO 102 CO 0.00 -0.54 -0.09 1.03 -0.33 0.00 0.00 177.00 177.07 3kgs s ARG 103 N -0.31 1.27 -0.12 5.54 1.81 -1.26 -4.90 118.95 120.98 3kgs s ARG 103 Ca 0.62 -1.59 -0.02 0.00 -1.72 0.00 0.00 55.73 53.03 3kgs s ARG 103 Cb -0.45 -0.83 -0.03 0.00 -0.45 0.00 0.00 34.95 33.19 3kgs s ARG 103 CO 0.44 0.06 -0.05 -0.98 -0.68 0.00 0.00 175.30 174.09 3kgs s ARG 104 N -3.74 3.34 -0.16 3.54 1.04 -0.26 -4.85 118.95 117.85 3kgs s ARG 104 Ca 0.23 -0.54 -0.01 0.00 -1.04 0.00 0.00 55.73 54.37 3kgs s ARG 104 Cb 0.02 -2.78 -0.01 0.00 -2.04 0.00 0.00 34.95 30.14 3kgs s ARG 104 CO 0.06 0.38 -0.12 0.71 -0.04 0.00 0.00 175.30 176.29 3kgs s TYR 105 N -0.04 2.83 -0.23 5.89 1.51 0.13 -1.54 117.35 125.91 3kgs s TYR 105 Ca 0.01 -0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 55.13 3kgs s TYR 105 Cb -0.13 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 3kgs s TYR 105 CO 0.03 -0.41 -0.06 0.99 -1.11 0.00 0.00 175.55 174.98 3kgs s THR 106 N 0.82 3.10 -0.29 -0.71 2.01 -0.45 -0.83 115.64 119.29 3kgs s THR 106 Ca -0.04 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 3kgs s THR 106 Cb -0.15 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3kgs s THR 106 CO 0.00 0.35 0.19 -0.63 -0.69 0.00 0.00 174.62 173.85 3kgs s ILE 107 N 1.41 5.23 -0.20 1.82 -1.09 -0.08 -0.92 121.20 127.38 3kgs s ILE 107 Ca 0.04 0.09 -0.07 0.00 -2.23 0.00 0.00 60.65 58.48 3kgs s ILE 107 Cb -0.15 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 3kgs s ILE 107 CO -0.05 0.22 0.04 0.00 -1.23 0.00 0.00 174.94 173.92 3kgs s ALA 108 N 1.74 3.24 -0.13 9.38 0.00 0.09 -0.11 121.76 135.98 3kgs s ALA 108 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3kgs s ALA 108 Cb -0.16 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3kgs s ALA 108 CO 0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 175.76 175.70 3kgs s ALA 109 N 0.73 2.51 -0.21 0.00 0.00 0.86 -1.21 121.76 124.43 3kgs s ALA 109 Ca 0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 3kgs s ALA 109 Cb -0.14 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 3kgs s ALA 109 CO 0.02 0.19 -0.07 -1.17 0.00 0.00 0.00 175.76 174.73 3kgs s LEU 110 N 0.46 2.77 -0.13 0.00 2.96 -0.09 -0.81 118.68 123.84 3kgs s LEU 110 Ca -0.11 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3kgs s LEU 110 Cb -0.16 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3kgs s LEU 110 CO 0.05 -0.01 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.24 3kgs s LEU 111 N 1.43 3.10 0.15 -0.68 1.43 0.03 -1.55 118.68 122.59 3kgs s LEU 111 Ca 0.05 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3kgs s LEU 111 Cb -0.14 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3kgs s LEU 111 CO -0.05 0.20 -0.12 -0.44 0.23 0.00 0.00 176.35 176.17 3kgs s SER 112 N 0.16 1.99 0.36 2.29 0.01 0.97 -0.67 113.70 118.82 3kgs s SER 112 Ca -0.03 -0.94 0.10 0.00 1.31 0.00 0.00 55.95 56.38 3kgs s SER 112 Cb -0.14 -0.05 0.85 0.00 0.21 0.00 0.00 66.02 66.89 3kgs s SER 112 CO 0.03 -0.24 1.87 -0.65 0.41 0.00 0.00 173.24 174.66 3kgs h PRO 113 N 3.00 0.63 -0.12 12.44 0.11 -1.99 -2.74 132.00 143.33 3kgs h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kgs h PRO 113 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kgs h PRO 113 CO 0.59 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.45 3kgs n TYR 114 N -4.56 0.35 -3.62 0.65 4.02 -1.26 -0.56 117.16 112.18 3kgs n TYR 114 Ca 0.17 -0.84 -0.14 0.00 -0.01 0.00 0.00 57.90 57.08 3kgs n TYR 114 Cb 0.49 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.57 3kgs n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3kgs s SER 115 N -2.12 -0.71 0.04 7.72 0.15 -1.04 -4.93 113.70 112.80 3kgs s SER 115 Ca 0.30 1.30 -0.00 0.00 0.70 0.00 0.00 55.95 58.25 3kgs s SER 115 Cb 0.24 1.29 -0.03 0.00 -1.71 0.00 0.00 66.02 65.82 3kgs s SER 115 CO 0.06 -0.29 -0.04 -0.72 1.20 0.00 0.00 173.24 173.45 3kgs s TYR 116 N 0.14 0.43 0.02 3.44 1.13 -1.26 -0.02 117.35 121.23 3kgs s TYR 116 Ca -0.02 -0.76 0.08 0.00 -1.41 0.00 0.00 57.07 54.97 3kgs s TYR 116 Cb -0.04 -0.30 -0.02 0.00 -1.10 0.00 0.00 41.96 40.49 3kgs s TYR 116 CO 0.02 -0.25 -0.25 -1.12 -2.51 0.00 0.00 175.55 171.44 3kgs s SER 117 N -2.13 3.00 0.05 -0.18 0.01 -0.59 -4.99 113.70 108.87 3kgs s SER 117 Ca -0.05 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 56.75 3kgs s SER 117 Cb -0.02 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 3kgs s SER 117 CO -0.05 0.27 -0.20 0.28 0.41 0.00 0.00 173.24 173.95 3kgs s THR 118 N -0.72 1.62 -0.00 1.44 -1.32 -1.26 -0.91 115.64 114.48 3kgs s THR 118 Ca 0.10 -1.24 -0.03 0.00 -1.21 0.00 0.00 61.69 59.31 3kgs s THR 118 Cb -0.10 -1.43 -0.00 0.00 -1.51 0.00 0.00 72.50 69.46 3kgs s THR 118 CO 0.01 0.14 0.06 -0.89 -2.21 0.00 0.00 174.62 171.73 3kgs s THR 119 N -0.87 0.06 -0.08 5.08 2.01 -0.35 -4.99 115.64 116.50 3kgs s THR 119 Ca 0.07 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.61 3kgs s THR 119 Cb -0.09 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 3kgs s THR 119 CO 0.02 -0.28 -0.23 0.00 -0.69 0.00 0.00 174.62 173.45 3kgs s ALA 120 N -0.87 2.23 -0.26 7.40 0.00 -1.26 -0.73 121.76 128.26 3kgs s ALA 120 Ca -0.10 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 3kgs s ALA 120 Cb -0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 3kgs s ALA 120 CO 0.00 0.35 0.03 0.08 0.00 0.00 0.00 175.76 176.22 3kgs s VAL 121 N 0.08 3.75 -0.19 0.00 1.01 -0.10 -4.99 120.40 119.96 3kgs s VAL 121 Ca -0.11 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 3kgs s VAL 121 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3kgs s VAL 121 CO 0.06 0.23 -0.13 -0.69 0.00 0.00 0.00 175.10 174.57 3kgs s VAL 122 N 1.49 2.71 0.25 2.92 1.01 -1.26 -1.35 120.40 126.17 3kgs s VAL 122 Ca 0.04 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3kgs s VAL 122 Cb -0.16 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3kgs s VAL 122 CO 0.00 0.49 -0.07 0.42 0.00 0.00 0.00 175.10 175.94 3kgs s THR 123 N 1.28 1.55 -2.38 3.92 -4.23 -0.59 -4.97 115.64 110.23 3kgs s THR 123 Ca 0.04 -2.13 0.29 0.00 -1.18 0.00 0.00 61.69 58.71 3kgs s THR 123 Cb -0.14 -2.32 0.64 0.00 1.34 0.00 0.00 72.50 72.02 3kgs s THR 123 CO -0.07 -0.38 1.87 0.59 -0.54 0.00 0.00 174.62 176.08