#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 0.94 -3.73 0.00 -0.04 -1.26 -4.77 135.00 126.14 3kgs n PRO 11 Ca 0.00 -0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.26 3kgs n PRO 11 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.09 0.64 0.00 1.53 2.96 -1.26 -0.50 118.68 119.96 3kgs s LEU 12 Ca 0.44 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 3kgs s LEU 12 Cb 0.22 0.04 -0.01 0.00 0.50 0.00 0.00 46.19 46.94 3kgs s LEU 12 CO 0.38 -0.18 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.87 3kgs s MET 13 N 1.51 0.39 -0.10 1.98 -2.45 0.24 -4.37 119.30 116.50 3kgs s MET 13 Ca -0.04 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.20 3kgs s MET 13 Cb -0.12 -0.34 -0.01 0.00 1.25 0.00 0.00 34.83 35.61 3kgs s MET 13 CO -0.04 0.09 -0.21 0.08 1.05 0.00 0.00 175.02 175.99 3kgs s VAL 14 N -0.27 2.32 -0.06 10.11 1.01 -0.87 -0.36 120.40 132.27 3kgs s VAL 14 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3kgs s VAL 14 Cb -0.03 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3kgs s VAL 14 CO -0.00 0.55 -0.24 -0.75 0.00 0.00 0.00 175.10 174.66 3kgs s LYS 15 N 0.21 2.57 -0.07 2.72 2.20 0.79 -0.45 119.74 127.71 3kgs s LYS 15 Ca -0.13 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.63 3kgs s LYS 15 Cb -0.16 -2.13 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 3kgs s LYS 15 CO 0.07 0.33 -0.15 0.08 -0.36 0.00 0.00 175.35 175.32 3kgs s VAL 16 N -0.05 1.32 0.13 4.02 1.01 0.25 -0.38 120.40 126.70 3kgs s VAL 16 Ca -0.06 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.42 3kgs s VAL 16 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3kgs s VAL 16 CO 0.05 0.39 -0.26 -0.76 0.00 0.00 0.00 175.10 174.52 3kgs s LEU 17 N 0.50 2.33 -0.33 3.92 1.43 0.10 -0.65 118.68 125.97 3kgs s LEU 17 Ca -0.13 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.16 3kgs s LEU 17 Cb -0.15 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 44.95 3kgs s LEU 17 CO 0.04 0.15 0.08 -0.62 0.23 0.00 0.00 176.35 176.24 3kgs s ASP 18 N -2.09 5.22 0.00 2.29 -1.08 0.59 -0.94 116.67 120.67 3kgs s ASP 18 Ca 0.13 -1.14 0.27 0.00 -0.52 0.00 0.00 52.55 51.29 3kgs s ASP 18 Cb -0.10 -1.84 1.15 0.00 -1.46 0.00 0.00 42.92 40.68 3kgs s ASP 18 CO 0.06 -0.31 1.86 0.00 0.52 0.00 0.00 175.17 177.30 3kgs n ALA 19 N 4.78 2.23 0.01 3.66 0.00 0.27 -0.88 120.51 130.58 3kgs n ALA 19 Ca -0.13 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 3kgs n ALA 19 Cb 0.45 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 0.00 0.98 0.00 0.00 2.07 -1.94 -3.39 116.25 113.96 3kgs h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3kgs h VAL 20 Cb 0.45 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3kgs h VAL 20 CO 0.00 0.72 -1.31 0.54 0.02 0.00 0.00 177.57 177.54 3kgs n ARG 21 N -3.87 0.31 -2.78 1.57 1.74 -1.22 -5.00 116.66 107.41 3kgs n ARG 21 Ca -0.26 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 56.67 3kgs n ARG 21 Cb 0.92 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 30.86 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 1.38 0.01 3.33 -0.13 0.00 -0.06 -5.04 105.19 104.67 3kgs n GLY 22 Ca 0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.72 0.06 0.51 1.61 1.04 -1.09 -4.99 113.70 107.11 3kgs s SER 23 Ca 0.00 -0.89 -0.23 0.00 0.48 0.00 0.00 55.95 55.32 3kgs s SER 23 Cb -0.00 0.43 -0.07 0.00 0.10 0.00 0.00 66.02 66.48 3kgs s SER 23 CO 0.39 -0.88 1.29 -0.81 0.98 0.00 0.00 173.24 174.21 3kgs n PRO 24 N -0.21 1.71 -3.07 4.02 -0.04 -1.26 -0.30 135.00 135.86 3kgs n PRO 24 Ca -0.07 0.62 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 3kgs n PRO 24 Cb 0.63 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 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 -1.28 3.32 0.09 0.55 0.00 0.18 -4.61 121.76 120.01 3kgs s ALA 25 Ca 0.68 -1.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 3kgs s ALA 25 Cb -0.45 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 3kgs s ALA 25 CO 0.52 -2.03 0.30 0.96 0.00 0.00 0.00 175.76 175.51 3kgs s ILE 26 N 2.98 5.27 -1.68 0.00 -4.36 -1.26 -4.30 121.20 117.84 3kgs s ILE 26 Ca 0.21 -0.10 -0.02 0.00 -0.26 0.00 0.00 60.65 60.48 3kgs s ILE 26 Cb -0.16 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 39.93 3kgs s ILE 26 CO 0.16 0.12 0.20 0.59 0.24 0.00 0.00 174.94 176.25 3kgs n ASN 27 N 0.31 -5.92 -4.65 4.36 5.03 -0.42 -4.93 115.26 109.05 3kgs n ASN 27 Ca -0.05 -0.11 -0.42 0.00 0.87 0.00 0.00 54.58 54.88 3kgs n ASN 27 Cb 0.52 -4.86 -0.03 0.00 -1.02 0.00 0.00 39.78 34.38 3kgs n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kgs s VAL 28 N -3.07 4.79 0.27 2.41 1.01 -1.26 -4.74 120.40 119.80 3kgs s VAL 28 Ca 0.10 1.75 -0.24 0.00 0.00 0.00 0.00 61.98 63.59 3kgs s VAL 28 Cb -0.04 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 3kgs s VAL 28 CO 0.12 -0.09 0.84 0.00 0.00 0.00 0.00 175.10 175.97 3kgs s ALA 29 N 2.85 3.32 0.02 5.51 0.00 -1.26 -1.14 121.76 131.05 3kgs s ALA 29 Ca 0.39 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.58 3kgs s ALA 29 Cb -0.15 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3kgs s ALA 29 CO 0.08 0.25 0.30 0.00 0.00 0.00 0.00 175.76 176.39 3kgs s MET 30 N -1.90 0.75 0.02 0.00 0.23 -0.39 -0.55 119.30 117.46 3kgs s MET 30 Ca 0.46 -0.38 0.08 0.00 -1.03 0.00 0.00 55.69 54.82 3kgs s MET 30 Cb -0.19 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 33.42 3kgs s MET 30 CO 0.23 -0.23 -0.24 -1.01 -2.03 0.00 0.00 175.02 171.75 3kgs s HIS 31 N -2.04 2.14 -0.12 3.16 3.76 -0.64 -2.01 115.29 119.52 3kgs s HIS 31 Ca -0.09 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.41 3kgs s HIS 31 Cb -0.03 -1.31 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 3kgs s HIS 31 CO -0.00 0.06 -0.05 0.08 -0.85 0.00 0.00 174.74 173.97 3kgs s VAL 32 N -0.72 3.78 0.13 -0.90 1.01 0.19 -0.31 120.40 123.59 3kgs s VAL 32 Ca 0.10 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.75 3kgs s VAL 32 Cb -0.09 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3kgs s VAL 32 CO 0.01 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.08 3kgs s PHE 33 N -0.12 1.87 -0.10 5.22 0.08 0.83 -0.93 117.98 124.84 3kgs s PHE 33 Ca 0.02 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.67 3kgs s PHE 33 Cb -0.13 -0.99 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 3kgs s PHE 33 CO 0.03 0.28 -0.20 0.50 -0.10 0.00 0.00 175.22 175.72 3kgs s ARG 34 N -2.27 3.01 0.05 0.44 3.52 0.75 -1.02 118.95 123.42 3kgs s ARG 34 Ca 0.11 -0.81 -0.31 0.00 -0.13 0.00 0.00 55.73 54.59 3kgs s ARG 34 Cb -0.08 -2.38 -0.07 0.00 -1.56 0.00 0.00 34.95 30.86 3kgs s ARG 34 CO 0.06 0.27 1.53 0.21 -0.81 0.00 0.00 175.30 176.55 3kgs s LYS 35 N 0.15 4.24 0.77 5.12 2.20 -0.07 -0.94 119.74 131.21 3kgs s LYS 35 Ca -0.11 2.16 -0.07 0.00 -0.36 0.00 0.00 55.97 57.59 3kgs s LYS 35 Cb -0.16 -3.55 0.12 0.00 -1.51 0.00 0.00 37.83 32.73 3kgs s LYS 35 CO 0.06 -0.64 1.08 0.00 -0.36 0.00 0.00 175.35 175.48 3kgs s ALA 36 N 2.39 3.13 0.26 3.13 0.00 0.08 -4.75 121.76 126.00 3kgs s ALA 36 Ca 0.69 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 3kgs s ALA 36 Cb -0.36 -2.44 0.30 0.00 0.00 0.00 0.00 23.12 20.63 3kgs s ALA 36 CO 0.30 -1.61 1.93 0.00 0.00 0.00 0.00 175.76 176.37 3kgs h ALA 37 N -0.81 1.30 0.00 0.00 0.00 -1.94 -0.77 119.26 117.03 3kgs h ALA 37 Ca -0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kgs h ALA 37 Cb 1.28 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kgs h ALA 37 CO 0.48 0.64 0.00 -0.40 0.00 0.00 0.00 179.25 179.97 3kgs n ASP 38 N -4.38 0.42 -3.23 0.00 5.68 -1.26 -4.87 116.55 108.91 3kgs n ASP 38 Ca 0.11 -1.89 -0.16 0.00 -0.50 0.00 0.00 54.79 52.34 3kgs n ASP 38 Cb 0.03 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 39.77 3kgs n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kgs n ASP 39 N -0.27 -1.57 -4.92 -1.12 3.85 -0.30 -5.00 116.55 107.23 3kgs n ASP 39 Ca 0.00 -0.15 -0.27 0.00 -0.71 0.00 0.00 54.79 53.66 3kgs n ASP 39 Cb 0.11 -1.42 0.03 0.00 -1.35 0.00 0.00 41.12 38.48 3kgs n ASP 39 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3kgs s THR 40 N -2.50 3.68 -0.26 2.12 -4.23 -1.26 -4.81 115.64 108.37 3kgs s THR 40 Ca 0.31 -0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.65 3kgs s THR 40 Cb -0.18 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 3kgs s THR 40 CO 0.37 -0.47 0.39 0.26 -0.54 0.00 0.00 174.62 174.64 3kgs s TRP 41 N -2.98 3.26 -0.40 3.99 0.52 -1.26 -0.74 118.94 121.33 3kgs s TRP 41 Ca 0.54 0.46 -0.16 0.00 0.02 0.00 0.00 56.10 56.96 3kgs s TRP 41 Cb -0.11 -2.58 0.01 0.00 -1.15 0.00 0.00 33.47 29.65 3kgs s TRP 41 CO 0.45 -0.21 0.35 -2.00 0.02 0.00 0.00 176.95 175.56 3kgs s GLU 42 N 2.02 3.12 0.37 4.98 2.12 -0.12 -4.91 118.70 126.29 3kgs s GLU 42 Ca 0.16 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 54.38 3kgs s GLU 42 Cb -0.16 -3.94 -0.11 0.00 0.26 0.00 0.00 34.13 30.19 3kgs s GLU 42 CO 0.10 -0.74 1.44 -1.25 -0.54 0.00 0.00 175.26 174.27 3kgs s PRO 43 N 1.88 4.12 0.00 4.30 0.04 -1.26 -0.18 135.00 143.90 3kgs s PRO 43 Ca 0.08 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3kgs s PRO 43 Cb -0.18 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.40 3kgs s PRO 43 CO 0.11 -0.49 0.00 1.97 0.04 0.00 0.00 177.00 178.64 3kgs n PHE 44 N 0.46 0.00 -3.61 0.56 -1.74 -0.11 -4.86 117.46 108.17 3kgs n PHE 44 Ca 0.01 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.79 3kgs n PHE 44 Cb 0.40 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.35 3kgs n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kgs s ALA 45 N 0.00 -1.04 0.21 1.98 0.00 -1.09 -5.02 121.76 116.80 3kgs s ALA 45 Ca 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 3kgs s ALA 45 Cb 0.00 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.82 3kgs s ALA 45 CO 0.00 -0.63 0.88 -1.54 0.00 0.00 0.00 175.76 174.47 3kgs s SER 46 N -2.64 -0.17 0.00 0.00 1.04 -1.26 0.57 113.70 111.23 3kgs s SER 46 Ca 0.01 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3kgs s SER 46 Cb 0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3kgs s SER 46 CO -0.10 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.62 3kgs n GLY 47 N -0.49 -1.49 3.12 7.32 0.00 -0.85 -4.98 105.19 107.81 3kgs n GLY 47 Ca -0.05 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 3kgs n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgs s LYS 48 N -1.23 0.67 0.40 1.61 -2.85 -1.26 -1.27 119.74 115.82 3kgs s LYS 48 Ca 0.00 -0.89 -0.26 0.00 -1.00 0.00 0.00 55.97 53.83 3kgs s LYS 48 Cb 0.00 -0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 35.18 3kgs s LYS 48 CO 0.00 0.10 1.25 0.95 0.10 0.00 0.00 175.35 177.74 3kgs s THR 49 N -1.52 2.84 0.78 3.79 -4.23 -0.30 -4.75 115.64 112.26 3kgs s THR 49 Ca -0.05 0.73 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 3kgs s THR 49 Cb -0.09 -3.42 0.19 0.00 1.34 0.00 0.00 72.50 70.52 3kgs s THR 49 CO 0.01 0.09 0.76 -1.54 -0.54 0.00 0.00 174.62 173.39 3kgs n SER 50 N 0.09 -1.36 0.16 3.99 3.41 0.14 -1.30 113.62 118.75 3kgs n SER 50 Ca 0.04 -1.02 0.12 0.00 -0.26 0.00 0.00 58.87 57.75 3kgs n SER 50 Cb 0.45 -0.67 0.56 0.00 -0.26 0.00 0.00 64.21 64.29 3kgs n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3kgs h GLU 51 N 0.00 0.00 -0.38 4.33 4.11 -1.94 -0.46 114.58 120.25 3kgs h GLU 51 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3kgs h GLU 51 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kgs h GLU 51 CO 0.18 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.13 3kgs n SER 52 N -2.31 2.68 -0.28 3.06 3.41 -1.26 -4.80 113.62 114.11 3kgs n SER 52 Ca 0.01 -1.91 -0.04 0.00 -0.26 0.00 0.00 58.87 56.67 3kgs n SER 52 Cb 0.16 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3kgs n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kgs n GLY 53 N 1.33 0.65 3.52 5.00 0.00 -0.18 -4.80 105.19 110.71 3kgs n GLY 53 Ca 0.18 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.74 2.35 -0.20 1.61 2.02 -1.26 -0.58 118.70 120.90 3kgs s GLU 54 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3kgs s GLU 54 Cb 0.00 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.92 3kgs s GLU 54 CO 0.00 0.58 -0.11 -1.17 0.02 0.00 0.00 175.26 174.58 3kgs s LEU 55 N -1.31 2.27 0.44 1.80 2.96 0.40 -0.69 118.68 124.56 3kgs s LEU 55 Ca 0.15 -0.87 0.07 0.00 -0.22 0.00 0.00 54.13 53.26 3kgs s LEU 55 Cb -0.11 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 3kgs s LEU 55 CO 0.05 -0.14 0.27 -1.00 -1.32 0.00 0.00 176.35 174.22 3kgs s HIS 56 N 1.39 2.42 -1.17 5.38 3.76 -1.26 -2.05 115.29 123.77 3kgs s HIS 56 Ca -0.01 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 3kgs s HIS 56 Cb -0.16 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3kgs s HIS 56 CO -0.08 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 3kgs n GLY 57 N -1.43 0.84 0.28 -2.22 0.00 -1.26 -4.91 105.19 96.49 3kgs n GLY 57 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 0.79 0.00 0.99 3.38 -1.87 -3.47 115.31 115.13 3kgs h LEU 58 Ca -0.25 -0.23 -0.29 0.00 0.09 0.00 0.00 57.88 57.20 3kgs h LEU 58 Cb 0.90 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 3kgs h LEU 58 CO 0.34 0.91 -0.17 1.07 0.09 0.00 0.00 178.44 180.68 3kgs n THR 59 N -4.17 0.00 -4.44 0.22 5.66 -1.26 -4.80 114.28 105.48 3kgs n THR 59 Ca 0.02 -1.78 -0.22 0.00 -3.05 0.00 0.00 64.05 59.02 3kgs n THR 59 Cb 0.36 1.07 -0.10 0.00 -1.55 0.00 0.00 70.33 70.11 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 -2.84 1.68 0.29 1.09 -4.23 -1.26 -4.49 115.64 105.87 3kgs s THR 60 Ca 0.29 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 3kgs s THR 60 Cb -0.01 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.64 3kgs s THR 60 CO 0.21 -0.28 1.85 -0.33 -0.54 0.00 0.00 174.62 175.53 3kgs h GLU 61 N 2.25 0.98 -0.01 3.99 4.39 -1.96 -0.86 114.58 123.36 3kgs h GLU 61 Ca -0.40 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.06 3kgs h GLU 61 Cb 1.24 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3kgs h GLU 61 CO 0.68 0.65 -0.80 1.05 -1.16 0.00 0.00 179.01 179.42 3kgs h GLU 62 N 1.01 0.16 0.12 2.33 9.09 -2.04 -3.27 114.58 121.97 3kgs h GLU 62 Ca 0.47 -0.15 -0.28 0.00 0.05 0.00 0.00 59.36 59.45 3kgs h GLU 62 Cb 0.43 0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3kgs h GLU 62 CO -0.23 0.87 -1.34 1.49 0.05 0.00 0.00 179.01 179.85 3kgs h GLU 63 N 0.09 0.25 -4.07 1.06 4.81 -1.90 -3.40 114.58 111.41 3kgs h GLU 63 Ca -0.03 -0.42 -0.70 0.00 -0.13 0.00 0.00 59.36 58.08 3kgs h GLU 63 Cb 1.40 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.91 3kgs h GLU 63 CO 0.12 1.16 3.00 0.34 -0.73 0.00 0.00 179.01 182.89 3kgs n PHE 64 N -3.49 3.22 -1.98 0.92 7.35 -0.35 -4.93 117.46 118.20 3kgs n PHE 64 Ca -0.11 -2.77 -0.28 0.00 -0.76 0.00 0.00 57.45 53.53 3kgs n PHE 64 Cb 1.03 -2.40 0.08 0.00 0.35 0.00 0.00 39.48 38.53 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 3.51 2.26 0.46 -2.13 -7.23 -1.26 -4.96 120.40 111.05 3kgs s VAL 65 Ca 0.49 -0.02 -0.24 0.00 -1.81 0.00 0.00 61.98 60.41 3kgs s VAL 65 Cb 0.14 -3.06 -0.09 0.00 0.56 0.00 0.00 36.38 33.93 3kgs s VAL 65 CO -0.05 -0.08 1.16 -0.62 -0.31 0.00 0.00 175.10 175.20 3kgs n GLU 66 N -3.17 1.60 -3.92 4.82 1.02 -1.26 -4.90 120.64 114.82 3kgs n GLU 66 Ca 0.08 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3kgs n GLU 66 Cb 0.60 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 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 0.98 -2.73 3.69 0.62 0.00 -1.23 -4.99 105.19 101.54 3kgs n GLY 67 Ca 0.09 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.06 5.33 0.16 -0.61 1.01 -1.26 -0.48 121.20 123.28 3kgs s ILE 68 Ca 0.00 0.35 0.10 0.00 0.00 0.00 0.00 60.65 61.10 3kgs s ILE 68 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3kgs s ILE 68 CO 0.00 0.36 -0.19 -0.31 0.00 0.00 0.00 174.94 174.80 3kgs s TYR 69 N 0.83 2.45 -0.06 3.97 1.51 0.10 -0.90 117.35 125.26 3kgs s TYR 69 Ca 0.11 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 3kgs s TYR 69 Cb -0.13 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.48 3kgs s TYR 69 CO 0.03 0.44 -0.08 0.21 -1.11 0.00 0.00 175.55 175.05 3kgs s LYS 70 N -2.45 1.22 -0.25 -0.62 2.20 -0.19 -0.76 119.74 118.88 3kgs s LYS 70 Ca 0.20 -0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.51 3kgs s LYS 70 Cb -0.09 -1.13 -0.02 0.00 -1.51 0.00 0.00 37.83 35.07 3kgs s LYS 70 CO 0.11 -0.07 0.07 0.08 -0.36 0.00 0.00 175.35 175.18 3kgs s VAL 71 N 0.94 4.28 -0.40 4.02 1.01 0.75 -0.12 120.40 130.88 3kgs s VAL 71 Ca -0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 3kgs s VAL 71 Cb -0.15 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.27 3kgs s VAL 71 CO 0.01 0.31 0.23 -0.70 0.00 0.00 0.00 175.10 174.94 3kgs s GLU 72 N 1.61 2.69 -0.26 2.72 2.12 0.57 -0.72 118.70 127.43 3kgs s GLU 72 Ca 0.06 -1.29 -0.15 0.00 0.36 0.00 0.00 54.97 53.95 3kgs s GLU 72 Cb -0.15 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 3kgs s GLU 72 CO 0.04 -0.83 0.36 0.42 -0.54 0.00 0.00 175.26 174.70 3kgs s ILE 73 N 1.47 5.19 -1.31 -3.70 1.01 0.63 -1.63 121.20 122.86 3kgs s ILE 73 Ca 0.02 0.56 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 3kgs s ILE 73 Cb -0.21 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.61 3kgs s ILE 73 CO 0.04 0.18 1.87 -0.67 0.00 0.00 0.00 174.94 176.36 3kgs n ASP 74 N 5.15 4.49 0.08 3.58 -0.08 0.29 -1.40 116.55 128.66 3kgs n ASP 74 Ca -0.09 -2.88 -0.06 0.00 -1.51 0.00 0.00 54.79 50.25 3kgs n ASP 74 Cb 0.51 -1.71 0.08 0.00 2.34 0.00 0.00 41.12 42.34 3kgs n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3kgs h THR 75 N 5.22 1.41 -0.18 5.18 1.35 -1.85 -3.19 112.91 120.84 3kgs h THR 75 Ca 0.46 -2.12 0.02 0.00 -0.55 0.00 0.00 66.41 64.22 3kgs h THR 75 Cb 0.82 2.10 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 3kgs h THR 75 CO 1.56 0.63 0.03 0.50 -0.25 0.00 0.00 175.52 177.98 3kgs h LYS 76 N 0.18 0.10 -0.51 4.72 3.64 -1.74 -1.32 116.57 121.65 3kgs h LYS 76 Ca -0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3kgs h LYS 76 Cb 1.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3kgs h LYS 76 CO 0.11 0.07 0.22 0.77 -2.27 0.00 0.00 179.45 178.34 3kgs h SER 77 N 0.10 0.65 0.30 4.20 0.02 -1.86 -0.00 113.55 116.97 3kgs h SER 77 Ca 0.08 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3kgs h SER 77 Cb 0.08 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3kgs h SER 77 CO -0.11 0.58 -0.15 0.22 -1.14 0.00 0.00 176.83 176.23 3kgs h TYR 78 N 0.72 -0.38 -0.82 3.45 3.20 -1.41 -1.35 116.97 120.38 3kgs h TYR 78 Ca 0.18 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3kgs h TYR 78 Cb 0.12 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3kgs h TYR 78 CO 0.01 -0.21 0.35 -1.49 -1.64 0.00 0.00 178.16 175.18 3kgs h TRP 79 N -0.45 1.23 -0.76 -3.82 4.06 -1.01 -2.46 115.95 112.74 3kgs h TRP 79 Ca -0.04 -0.08 0.06 0.00 2.06 0.00 0.00 58.89 60.88 3kgs h TRP 79 Cb 0.34 -0.37 -0.06 0.00 -1.00 0.00 0.00 29.16 28.07 3kgs h TRP 79 CO -0.05 0.91 0.45 0.87 -3.56 0.00 0.00 178.44 177.07 3kgs h LYS 80 N 1.19 0.81 0.00 0.49 1.57 -0.89 -1.70 116.57 118.04 3kgs h LYS 80 Ca 0.28 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3kgs h LYS 80 Cb 0.19 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kgs h LYS 80 CO -0.03 0.54 -0.13 0.00 -0.57 0.00 0.00 179.45 179.26 3kgs h ALA 81 N 1.37 1.39 -0.01 3.86 0.00 -0.77 -1.77 119.26 123.33 3kgs h ALA 81 Ca 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kgs h ALA 81 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kgs h ALA 81 CO -0.17 0.16 -0.17 1.28 0.00 0.00 0.00 179.25 180.36 3kgs n LEU 82 N -3.81 1.17 -1.12 0.00 4.77 -0.71 -4.95 117.00 112.35 3kgs n LEU 82 Ca -0.02 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.54 3kgs n LEU 82 Cb 0.23 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kgs n LEU 82 CO 0.31 0.21 -0.08 0.61 -1.33 0.00 0.00 177.39 177.11 3kgs n GLY 83 N 1.28 0.06 3.19 -0.72 0.00 -0.67 -5.03 105.19 103.31 3kgs n GLY 83 Ca 0.15 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.54 1.99 -0.18 -0.61 1.01 -0.77 -5.03 121.20 115.07 3kgs s ILE 84 Ca 0.04 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 3kgs s ILE 84 Cb -0.02 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3kgs s ILE 84 CO 0.05 0.54 1.54 -0.55 0.00 0.00 0.00 174.94 176.51 3kgs s SER 85 N 0.52 6.57 0.30 3.58 0.15 -1.26 -3.94 113.70 119.61 3kgs s SER 85 Ca -0.15 1.75 0.04 0.00 0.70 0.00 0.00 55.95 58.29 3kgs s SER 85 Cb -0.17 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 3kgs s SER 85 CO 0.05 -1.07 0.44 -2.16 1.20 0.00 0.00 173.24 171.70 3kgs s PRO 86 N 4.27 3.36 -0.17 5.44 0.04 -1.26 -4.81 135.00 141.86 3kgs s PRO 86 Ca 0.68 -0.70 -0.16 0.00 0.04 0.00 0.00 61.00 60.85 3kgs s PRO 86 Cb -0.26 -2.80 -0.13 0.00 0.04 0.00 0.00 34.50 31.35 3kgs s PRO 86 CO 0.26 0.25 0.14 0.35 0.04 0.00 0.00 177.00 178.04 3kgs h PHE 87 N 0.97 0.00 -3.92 0.56 3.57 -1.24 -3.48 116.94 113.39 3kgs h PHE 87 Ca -0.50 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.54 3kgs h PHE 87 Cb 1.23 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 3kgs h PHE 87 CO 0.46 0.80 0.29 -1.01 -2.23 0.00 0.00 178.31 176.62 3kgs s HIS 88 N -2.22 3.47 0.23 0.41 3.76 -1.26 -4.97 115.29 114.71 3kgs s HIS 88 Ca -0.20 1.59 -0.01 0.00 -0.15 0.00 0.00 55.06 56.30 3kgs s HIS 88 Cb 0.03 -2.81 0.24 0.00 1.11 0.00 0.00 32.58 31.14 3kgs s HIS 88 CO 0.42 0.05 1.60 0.93 -0.85 0.00 0.00 174.74 176.89 3kgs h GLU 89 N 2.47 0.52 0.00 1.40 4.39 -1.98 -3.37 114.58 118.01 3kgs h GLU 89 Ca -0.48 -0.27 0.22 0.00 0.34 0.00 0.00 59.36 59.17 3kgs h GLU 89 Cb 1.18 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.80 3kgs h GLU 89 CO 0.63 0.85 0.62 -2.39 -1.16 0.00 0.00 179.01 177.56 3kgs n HIS 90 N -4.02 -0.61 -4.68 4.33 1.44 -1.26 -3.62 115.22 106.80 3kgs n HIS 90 Ca -0.02 -0.69 -0.34 0.00 -2.01 0.00 0.00 57.72 54.66 3kgs n HIS 90 Cb 0.52 0.33 -0.12 0.00 0.12 0.00 0.00 29.99 30.84 3kgs n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kgs s ALA 91 N -1.79 2.88 -0.33 1.59 0.00 -0.49 -4.89 121.76 118.73 3kgs s ALA 91 Ca 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3kgs s ALA 91 Cb -0.01 -1.19 0.08 0.00 0.00 0.00 0.00 23.12 22.00 3kgs s ALA 91 CO 0.01 0.52 0.04 -1.21 0.00 0.00 0.00 175.76 175.12 3kgs s GLU 92 N -0.63 1.97 -0.40 0.00 2.02 -1.26 -0.27 118.70 120.13 3kgs s GLU 92 Ca 0.09 -1.62 -0.21 0.00 0.02 0.00 0.00 54.97 53.25 3kgs s GLU 92 Cb -0.11 -3.22 0.01 0.00 0.10 0.00 0.00 34.13 30.90 3kgs s GLU 92 CO 0.02 -0.82 0.68 0.08 0.02 0.00 0.00 175.26 175.23 3kgs s VAL 93 N 1.08 4.81 -0.17 2.63 1.01 0.10 -4.92 120.40 124.94 3kgs s VAL 93 Ca 0.03 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 3kgs s VAL 93 Cb -0.20 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 3kgs s VAL 93 CO -0.05 -0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 173.74 3kgs s VAL 94 N 2.88 2.70 -0.01 2.92 1.01 -1.26 -0.18 120.40 128.46 3kgs s VAL 94 Ca 0.25 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 3kgs s VAL 94 Cb -0.14 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3kgs s VAL 94 CO 0.18 0.50 0.35 0.72 0.00 0.00 0.00 175.10 176.85 3kgs s PHE 95 N 0.97 -0.23 -0.18 5.22 -0.71 0.06 -4.99 117.98 118.12 3kgs s PHE 95 Ca -0.02 0.34 -0.25 0.00 -1.04 0.00 0.00 56.93 55.96 3kgs s PHE 95 Cb -0.15 0.13 -0.01 0.00 -1.21 0.00 0.00 43.02 41.78 3kgs s PHE 95 CO -0.02 -0.42 0.83 0.99 -1.34 0.00 0.00 175.22 175.25 3kgs s THR 96 N -1.41 4.87 -0.05 -4.49 2.01 -1.26 0.02 115.64 115.34 3kgs s THR 96 Ca -0.13 1.62 -0.14 0.00 0.31 0.00 0.00 61.69 63.35 3kgs s THR 96 Cb -0.04 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 3kgs s THR 96 CO 0.04 0.01 0.37 0.00 -0.69 0.00 0.00 174.62 174.35 3kgs s ALA 97 N 2.26 3.68 -0.19 7.40 0.00 0.36 -4.51 121.76 130.76 3kgs s ALA 97 Ca 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3kgs s ALA 97 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.59 3kgs s ALA 97 CO 0.11 0.39 0.00 0.09 0.00 0.00 0.00 175.76 176.35 3kgs n ASN 98 N 2.29 -3.34 -0.15 0.00 3.02 -1.26 -3.50 115.26 112.32 3kgs n ASN 98 Ca -0.14 0.05 0.28 0.00 -0.03 0.00 0.00 54.58 54.74 3kgs n ASN 98 Cb 0.52 -1.00 0.72 0.00 -0.61 0.00 0.00 39.78 39.41 3kgs n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3kgs h ASP 99 N 0.00 0.00 0.02 6.41 2.03 -1.95 -2.12 116.42 120.81 3kgs h ASP 99 Ca -0.04 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.93 3kgs h ASP 99 Cb 0.16 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.62 3kgs h ASP 99 CO 0.05 0.00 -1.85 -1.20 -1.03 0.00 0.00 179.24 175.22 3kgs n SER 100 N -4.25 1.94 0.00 4.15 7.64 -1.26 -5.08 113.62 116.77 3kgs n SER 100 Ca 0.17 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.37 3kgs n SER 100 Cb 0.93 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 1.55 2.36 3.72 0.23 0.00 -0.80 -5.11 105.19 107.14 3kgs n GLY 101 Ca -0.40 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 1.97 4.34 0.16 1.61 0.02 -1.26 -4.31 135.00 137.52 3kgs s PRO 102 Ca 0.00 2.06 0.05 0.00 0.02 0.00 0.00 61.00 63.13 3kgs s PRO 102 Cb 0.00 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 3kgs s PRO 102 CO 0.00 -0.40 -0.11 1.03 -0.33 0.00 0.00 177.00 177.19 3kgs s ARG 103 N 0.87 1.10 -0.20 5.54 1.81 -1.26 -4.91 118.95 121.90 3kgs s ARG 103 Ca 0.63 -1.46 -0.16 0.00 -1.72 0.00 0.00 55.73 53.02 3kgs s ARG 103 Cb -0.36 -0.73 -0.04 0.00 -0.45 0.00 0.00 34.95 33.37 3kgs s ARG 103 CO 0.32 0.10 0.42 1.03 -0.68 0.00 0.00 175.30 176.49 3kgs s ARG 104 N -3.65 4.17 -0.14 3.54 0.52 -0.97 -4.77 118.95 117.65 3kgs s ARG 104 Ca 0.17 0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.63 3kgs s ARG 104 Cb 0.01 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 3kgs s ARG 104 CO 0.02 -0.07 -0.17 0.71 0.02 0.00 0.00 175.30 175.81 3kgs s TYR 105 N 1.40 2.73 -0.22 -0.53 1.51 0.35 -1.33 117.35 121.25 3kgs s TYR 105 Ca 0.20 -1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.21 3kgs s TYR 105 Cb -0.15 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 3kgs s TYR 105 CO 0.08 -0.44 -0.06 0.99 -1.11 0.00 0.00 175.55 175.02 3kgs s THR 106 N 0.64 3.14 -0.29 -0.71 2.01 -0.08 -0.59 115.64 119.76 3kgs s THR 106 Ca -0.09 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 3kgs s THR 106 Cb -0.16 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 3kgs s THR 106 CO 0.02 0.37 0.28 -0.63 -0.69 0.00 0.00 174.62 173.98 3kgs s ILE 107 N 1.43 5.24 -0.22 1.82 -1.09 0.51 -0.92 121.20 127.96 3kgs s ILE 107 Ca 0.04 0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.68 3kgs s ILE 107 Cb -0.15 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 3kgs s ILE 107 CO -0.04 0.15 0.02 0.00 -1.23 0.00 0.00 174.94 173.84 3kgs s ALA 108 N 1.91 3.05 -0.16 9.38 0.00 0.24 -0.15 121.76 136.02 3kgs s ALA 108 Ca 0.11 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 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 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 175.76 175.45 3kgs s ALA 109 N 1.30 2.71 -0.25 0.00 0.00 0.48 -0.96 121.76 125.05 3kgs s ALA 109 Ca 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3kgs s ALA 109 Cb -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3kgs s ALA 109 CO 0.02 0.02 -0.01 -1.17 0.00 0.00 0.00 175.76 174.62 3kgs s LEU 110 N 0.73 3.26 -0.16 0.00 2.96 -0.05 -0.73 118.68 124.69 3kgs s LEU 110 Ca -0.04 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 3kgs s LEU 110 Cb -0.15 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3kgs s LEU 110 CO 0.02 -0.09 0.01 -0.76 -1.32 0.00 0.00 176.35 174.20 3kgs s LEU 111 N 1.46 3.52 0.19 -0.68 1.43 -0.11 -1.68 118.68 122.80 3kgs s LEU 111 Ca 0.04 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3kgs s LEU 111 Cb -0.16 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3kgs s LEU 111 CO -0.02 0.18 -0.14 -0.44 0.23 0.00 0.00 176.35 176.17 3kgs s SER 112 N 0.30 2.46 0.33 2.29 0.01 0.74 -0.56 113.70 119.27 3kgs s SER 112 Ca -0.00 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.30 3kgs s SER 112 Cb -0.13 -0.12 0.70 0.00 0.21 0.00 0.00 66.02 66.68 3kgs s SER 112 CO 0.02 -0.19 1.88 -0.65 0.41 0.00 0.00 173.24 174.71 3kgs h PRO 113 N 2.63 0.80 -0.19 12.44 0.11 -1.99 -2.97 132.00 142.84 3kgs h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kgs h PRO 113 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3kgs h PRO 113 CO 0.62 0.53 0.00 0.66 -0.21 0.00 0.00 178.00 179.60 3kgs n TYR 114 N -4.55 0.30 -3.69 0.65 4.01 -1.26 -0.65 117.16 111.97 3kgs n TYR 114 Ca 0.16 -0.55 -0.14 0.00 -0.16 0.00 0.00 57.90 57.21 3kgs n TYR 114 Cb 0.37 -0.06 -0.09 0.00 -0.31 0.00 0.00 39.34 39.25 3kgs n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3kgs s SER 115 N -1.16 -0.55 0.02 7.72 0.15 -1.12 -4.95 113.70 113.81 3kgs s SER 115 Ca 0.16 1.01 -0.00 0.00 0.70 0.00 0.00 55.95 57.82 3kgs s SER 115 Cb 0.10 1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 65.42 3kgs s SER 115 CO 0.09 -0.22 -0.02 -0.72 1.20 0.00 0.00 173.24 173.56 3kgs s TYR 116 N 0.13 0.26 0.06 3.44 1.13 -1.26 -0.18 117.35 120.92 3kgs s TYR 116 Ca -0.01 -0.53 0.08 0.00 -1.41 0.00 0.00 57.07 55.19 3kgs s TYR 116 Cb -0.04 -0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 3kgs s TYR 116 CO 0.01 -0.20 -0.21 -1.54 -2.51 0.00 0.00 175.55 171.10 3kgs s SER 117 N -1.52 2.55 -0.04 -0.18 1.04 -0.68 -4.99 113.70 109.88 3kgs s SER 117 Ca -0.15 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.74 3kgs s SER 117 Cb -0.09 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3kgs s SER 117 CO -0.01 0.14 -0.13 0.28 0.98 0.00 0.00 173.24 174.50 3kgs s THR 118 N -0.90 1.10 0.01 2.02 -1.32 -1.26 -0.87 115.64 114.42 3kgs s THR 118 Ca 0.08 -0.53 0.04 0.00 -1.21 0.00 0.00 61.69 60.07 3kgs s THR 118 Cb -0.09 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3kgs s THR 118 CO 0.03 0.33 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.74 3kgs s THR 119 N 0.18 1.04 -0.11 5.08 2.01 -0.13 -4.98 115.64 118.72 3kgs s THR 119 Ca -0.05 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 3kgs s THR 119 Cb -0.11 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 3kgs s THR 119 CO 0.01 0.14 -0.06 0.00 -0.69 0.00 0.00 174.62 174.02 3kgs s ALA 120 N -0.58 2.94 -0.29 7.40 0.00 -1.26 -0.59 121.76 129.38 3kgs s ALA 120 Ca 0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 3kgs s ALA 120 Cb -0.06 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.72 3kgs s ALA 120 CO 0.00 0.39 0.03 0.08 0.00 0.00 0.00 175.76 176.26 3kgs s VAL 121 N -0.18 3.46 -0.21 0.00 1.01 -0.09 -4.99 120.40 119.39 3kgs s VAL 121 Ca 0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3kgs s VAL 121 Cb -0.13 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3kgs s VAL 121 CO 0.03 0.05 -0.09 -0.69 0.00 0.00 0.00 175.10 174.40 3kgs s VAL 122 N 1.40 2.91 0.13 2.92 1.01 -1.26 -0.90 120.40 126.61 3kgs s VAL 122 Ca 0.00 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.40 3kgs s VAL 122 Cb -0.18 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3kgs s VAL 122 CO -0.00 0.44 -0.26 0.42 0.00 0.00 0.00 175.10 175.69 3kgs s THR 123 N 1.41 2.23 0.00 3.92 -4.23 -0.44 -5.00 115.64 113.52 3kgs s THR 123 Ca 0.05 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3kgs s THR 123 Cb -0.14 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3kgs s THR 123 CO -0.06 0.06 0.15 -3.20 -0.54 0.00 0.00 174.62 171.02