#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfd n LYS 2 N 0.00 1.37 -3.51 -1.24 5.02 0.37 -4.88 118.16 115.29 1sfd n LYS 2 Ca 0.00 -0.94 -0.14 0.00 -2.02 0.00 0.00 58.31 55.21 1sfd n LYS 2 Cb 0.00 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1sfd n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sfd s ALA 3 N -1.28 -1.49 0.18 7.82 0.00 -1.24 -1.28 121.76 124.46 1sfd s ALA 3 Ca 0.12 0.66 0.11 0.00 0.00 0.00 0.00 51.96 52.85 1sfd s ALA 3 Cb 0.10 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1sfd s ALA 3 CO 0.23 -0.59 -0.24 0.95 0.00 0.00 0.00 175.76 176.11 1sfd s THR 4 N -2.78 2.25 -0.41 0.00 -4.23 0.32 -4.93 115.64 105.86 1sfd s THR 4 Ca -0.04 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 1sfd s THR 4 Cb -0.00 -2.05 0.10 0.00 1.34 0.00 0.00 72.50 71.89 1sfd s THR 4 CO -0.04 -0.10 0.21 -0.63 -0.54 0.00 0.00 174.62 173.52 1sfd s ILE 5 N -1.59 3.63 0.35 2.99 1.01 -1.26 -1.36 121.20 124.97 1sfd s ILE 5 Ca 0.18 -1.76 0.12 0.00 0.00 0.00 0.00 60.65 59.20 1sfd s ILE 5 Cb -0.08 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 39.10 1sfd s ILE 5 CO 0.09 -0.58 1.78 1.55 0.00 0.00 0.00 174.94 177.77 1sfd h PRO 6 N 8.19 0.01 -3.09 2.79 0.13 -1.97 -3.45 132.00 134.62 1sfd h PRO 6 Ca -0.18 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.83 1sfd h PRO 6 Cb 1.06 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.99 1sfd h PRO 6 CO 0.72 0.43 -0.31 0.45 -0.23 0.00 0.00 178.00 179.06 1sfd s SER 7 N -6.91 -0.18 0.00 1.44 0.15 -1.26 -5.02 113.70 101.91 1sfd s SER 7 Ca -0.02 0.11 0.28 0.00 0.70 0.00 0.00 55.95 57.01 1sfd s SER 7 Cb 0.14 0.34 1.02 0.00 -1.71 0.00 0.00 66.02 65.80 1sfd s SER 7 CO 0.74 -0.40 1.76 -0.62 1.20 0.00 0.00 173.24 175.92 1sfd n GLU 8 N 1.48 0.11 -4.29 5.44 -0.58 -1.26 -4.88 120.64 116.66 1sfd n GLU 8 Ca -0.21 -0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.21 1sfd n GLU 8 Cb 0.56 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.83 1sfd n GLU 8 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1sfd s SER 9 N -2.91 4.07 0.87 1.62 0.01 -1.26 -4.62 113.70 111.48 1sfd s SER 9 Ca 0.16 -0.55 -0.12 0.00 1.31 0.00 0.00 55.95 56.75 1sfd s SER 9 Cb 0.19 -0.64 0.11 0.00 0.21 0.00 0.00 66.02 65.89 1sfd s SER 9 CO 0.57 0.15 1.11 -2.16 0.41 0.00 0.00 173.24 173.32 1sfd s PRO 10 N -2.39 1.52 0.21 12.44 0.04 -1.26 -4.88 135.00 140.67 1sfd s PRO 10 Ca 0.21 0.58 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1sfd s PRO 10 Cb -0.10 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1sfd s PRO 10 CO 0.12 -2.00 0.07 -0.59 0.04 0.00 0.00 177.00 174.64 1sfd s PHE 11 N -3.12 1.32 0.09 0.56 -0.71 0.17 -4.92 117.98 111.36 1sfd s PHE 11 Ca 0.62 -1.16 -0.31 0.00 -1.04 0.00 0.00 56.93 55.05 1sfd s PHE 11 Cb -0.16 -0.75 -0.07 0.00 -1.21 0.00 0.00 43.02 40.83 1sfd s PHE 11 CO 0.55 -0.35 1.39 0.00 -1.34 0.00 0.00 175.22 175.47 1sfd s ALA 12 N -3.81 3.58 0.52 1.99 0.00 -1.26 -0.57 121.76 122.21 1sfd s ALA 12 Ca 0.32 1.06 0.24 0.00 0.00 0.00 0.00 51.96 53.58 1sfd s ALA 12 Cb 0.07 -3.55 1.49 0.00 0.00 0.00 0.00 23.12 21.13 1sfd s ALA 12 CO 0.09 -0.68 2.15 0.00 0.00 0.00 0.00 175.76 177.32 1sfd h ALA 13 N 7.06 1.60 -0.03 0.00 0.00 -1.38 -1.05 119.26 125.46 1sfd h ALA 13 Ca -0.41 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1sfd h ALA 13 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sfd h ALA 13 CO 0.87 0.07 0.06 0.00 0.00 0.00 0.00 179.25 180.25 1sfd h ALA 14 N 1.94 1.34 -0.00 0.00 0.00 -1.91 -1.77 119.26 118.86 1sfd h ALA 14 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sfd h ALA 14 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sfd h ALA 14 CO 0.01 -0.07 -0.01 0.39 0.00 0.00 0.00 179.25 179.56 1sfd n GLU 15 N -3.45 0.19 -1.69 0.00 1.02 -0.40 -4.93 120.64 111.38 1sfd n GLU 15 Ca -0.02 -0.01 -0.44 0.00 -0.02 0.00 0.00 57.16 56.67 1sfd n GLU 15 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 1sfd n GLU 15 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sfd n VAL 16 N -1.40 0.75 -2.34 2.62 0.31 -0.67 -4.90 118.33 112.70 1sfd n VAL 16 Ca 0.10 -0.19 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 1sfd n VAL 16 Cb 0.30 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.59 1sfd n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sfd s ALA 17 N 0.18 3.11 0.20 3.52 0.00 -1.26 -4.97 121.76 122.54 1sfd s ALA 17 Ca 0.69 0.90 -0.32 0.00 0.00 0.00 0.00 51.96 53.23 1sfd s ALA 17 Cb -0.61 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.01 1sfd s ALA 17 CO 0.46 -0.48 1.53 -0.25 0.00 0.00 0.00 175.76 177.03 1sfd n ASP 18 N -0.05 3.11 0.00 0.00 8.00 -1.26 -1.40 116.55 124.95 1sfd n ASP 18 Ca 0.05 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.66 1sfd n ASP 18 Cb 0.47 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 1sfd n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sfd n GLY 19 N 2.92 1.58 3.76 0.44 0.00 -1.26 -5.03 105.19 107.60 1sfd n GLY 19 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1sfd n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfd s ALA 20 N -3.05 3.52 0.09 4.61 0.00 -0.49 -4.97 121.76 121.47 1sfd s ALA 20 Ca 0.00 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.91 1sfd s ALA 20 Cb 0.00 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 1sfd s ALA 20 CO 0.00 -0.64 1.36 0.42 0.00 0.00 0.00 175.76 176.90 1sfd s ILE 21 N -0.82 3.49 0.02 0.00 1.01 -1.26 -4.98 121.20 118.65 1sfd s ILE 21 Ca 0.51 1.04 0.05 0.00 0.00 0.00 0.00 60.65 62.25 1sfd s ILE 21 Cb -0.40 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1sfd s ILE 21 CO 0.50 0.07 -0.14 -0.69 0.00 0.00 0.00 174.94 174.67 1sfd s VAL 22 N 1.31 1.11 -0.24 2.92 1.01 -1.26 -1.07 120.40 124.18 1sfd s VAL 22 Ca 0.64 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1sfd s VAL 22 Cb -0.35 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1sfd s VAL 22 CO 0.29 0.12 -0.09 -0.69 0.00 0.00 0.00 175.10 174.73 1sfd s VAL 23 N -0.65 2.64 0.45 2.92 1.01 -0.17 -4.94 120.40 121.65 1sfd s VAL 23 Ca 0.03 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1sfd s VAL 23 Cb -0.07 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 1sfd s VAL 23 CO 0.01 0.23 0.94 -1.81 0.00 0.00 0.00 175.10 174.47 1sfd s ASP 24 N 1.29 6.83 -0.13 3.32 1.01 -1.26 -1.08 116.67 126.65 1sfd s ASP 24 Ca -0.00 1.62 0.02 0.00 0.71 0.00 0.00 52.55 54.89 1sfd s ASP 24 Cb -0.16 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.26 1sfd s ASP 24 CO -0.06 -0.41 -0.19 -0.63 0.21 0.00 0.00 175.17 174.09 1sfd s ILE 25 N -2.30 1.80 -0.09 0.77 1.01 0.04 -0.30 121.20 122.14 1sfd s ILE 25 Ca 0.60 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 1sfd s ILE 25 Cb -0.09 -1.62 0.09 0.00 0.01 0.00 0.00 42.46 40.85 1sfd s ILE 25 CO 0.19 0.50 0.79 0.00 0.00 0.00 0.00 174.94 176.42 1sfd s ALA 26 N 0.97 -1.83 -1.51 9.38 0.00 -0.70 -0.83 121.76 127.24 1sfd s ALA 26 Ca -0.05 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 1sfd s ALA 26 Cb -0.15 -0.25 0.08 0.00 0.00 0.00 0.00 23.12 22.79 1sfd s ALA 26 CO -0.03 -0.35 1.01 1.63 0.00 0.00 0.00 175.76 178.02 1sfd n LYS 27 N 0.84 -5.86 -2.15 0.00 5.02 -1.26 -1.65 118.16 113.11 1sfd n LYS 27 Ca -0.16 0.63 -0.16 0.00 -2.02 0.00 0.00 58.31 56.60 1sfd n LYS 27 Cb 0.57 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 30.03 1sfd n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sfd n MET 28 N -4.73 -1.22 -3.87 1.97 2.81 -1.26 -4.99 117.12 105.83 1sfd n MET 28 Ca 0.03 0.81 -0.11 0.00 -1.81 0.00 0.00 57.70 56.62 1sfd n MET 28 Cb 0.53 -5.15 -0.11 0.00 -0.71 0.00 0.00 33.22 27.78 1sfd n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1sfd s LYS 29 N -4.53 0.35 -0.16 0.03 1.02 -0.66 -4.78 119.74 111.01 1sfd s LYS 29 Ca 0.00 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 1sfd s LYS 29 Cb 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1sfd s LYS 29 CO 0.00 -0.07 1.13 0.71 -0.92 0.00 0.00 175.35 176.20 1sfd s TYR 30 N -0.88 3.18 -0.61 3.18 2.02 -1.26 -1.73 117.35 121.25 1sfd s TYR 30 Ca -0.10 1.30 0.26 0.00 -0.37 0.00 0.00 57.07 58.15 1sfd s TYR 30 Cb -0.06 -3.36 0.76 0.00 -0.40 0.00 0.00 41.96 38.91 1sfd s TYR 30 CO 0.01 -0.98 1.75 0.93 -1.57 0.00 0.00 175.55 175.68 1sfd h GLU 31 N 7.64 0.00 -2.96 -0.62 5.08 -0.98 -3.11 114.58 119.63 1sfd h GLU 31 Ca -0.26 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.49 1sfd h GLU 31 Cb 1.10 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.94 1sfd h GLU 31 CO 0.94 0.00 -0.65 0.99 -1.00 0.00 0.00 179.01 179.29 1sfd s THR 32 N -3.17 2.38 -0.82 1.13 2.01 -1.26 -4.97 115.64 110.93 1sfd s THR 32 Ca 0.09 -3.91 0.24 0.00 0.31 0.00 0.00 61.69 58.42 1sfd s THR 32 Cb 0.10 -2.57 0.22 0.00 0.01 0.00 0.00 72.50 70.27 1sfd s THR 32 CO 0.58 -1.04 1.73 -0.81 -0.69 0.00 0.00 174.62 174.40 1sfd n PRO 33 N 2.21 0.11 -3.78 4.92 -0.04 -1.18 -4.24 135.00 133.00 1sfd n PRO 33 Ca 0.21 0.20 -0.29 0.00 -0.04 0.00 0.00 63.50 63.58 1sfd n PRO 33 Cb 0.37 -1.65 -0.15 0.00 -0.04 0.00 0.00 33.50 32.02 1sfd n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1sfd s GLU 34 N -3.09 0.87 -0.13 0.54 2.12 -1.26 -0.55 118.70 117.20 1sfd s GLU 34 Ca 0.09 -0.92 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 1sfd s GLU 34 Cb 0.13 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 1sfd s GLU 34 CO 0.45 -0.83 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.12 1sfd s LEU 35 N 1.62 3.22 -0.30 2.70 2.96 -0.83 -5.01 118.68 123.05 1sfd s LEU 35 Ca 0.04 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1sfd s LEU 35 Cb -0.18 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1sfd s LEU 35 CO -0.17 0.22 0.05 -1.00 -1.32 0.00 0.00 176.35 174.14 1sfd s HIS 36 N 0.04 3.16 0.46 5.38 3.76 -1.26 -0.46 115.29 126.36 1sfd s HIS 36 Ca -0.00 -1.24 0.03 0.00 -0.15 0.00 0.00 55.06 53.69 1sfd s HIS 36 Cb -0.13 -2.21 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 1sfd s HIS 36 CO 0.03 -0.65 0.09 0.14 -0.85 0.00 0.00 174.74 173.50 1sfd s VAL 37 N 1.43 0.73 0.24 -0.90 -7.23 0.09 -4.99 120.40 109.77 1sfd s VAL 37 Ca 0.01 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 1sfd s VAL 37 Cb -0.18 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1sfd s VAL 37 CO 0.01 0.00 0.05 -0.54 -0.31 0.00 0.00 175.10 174.31 1sfd s LYS 38 N -3.75 2.49 0.16 4.82 1.02 -1.26 -1.15 119.74 122.06 1sfd s LYS 38 Ca 0.15 -1.25 -0.34 0.00 0.02 0.00 0.00 55.97 54.56 1sfd s LYS 38 Cb 0.01 -2.31 -0.15 0.00 -0.52 0.00 0.00 37.83 34.86 1sfd s LYS 38 CO 0.10 0.40 1.37 0.28 -0.92 0.00 0.00 175.35 176.57 1sfd n VAL 39 N -0.78 0.45 -0.10 3.17 0.31 -1.26 -1.24 118.33 118.88 1sfd n VAL 39 Ca -0.08 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1sfd n VAL 39 Cb 0.58 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1sfd n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sfd n GLY 40 N 2.52 1.13 3.78 2.92 0.00 0.54 -5.01 105.19 111.06 1sfd n GLY 40 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1sfd n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sfd s ASP 41 N -2.88 7.08 -0.08 1.61 1.01 -0.37 -4.77 116.67 118.27 1sfd s ASP 41 Ca 0.00 1.94 -0.12 0.00 0.71 0.00 0.00 52.55 55.08 1sfd s ASP 41 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1sfd s ASP 41 CO 0.00 -0.26 0.28 -0.89 0.21 0.00 0.00 175.17 174.52 1sfd s THR 42 N -1.63 5.27 -0.08 -1.27 2.01 -1.26 -1.34 115.64 117.34 1sfd s THR 42 Ca 0.53 0.54 0.03 0.00 0.31 0.00 0.00 61.69 63.11 1sfd s THR 42 Cb -0.20 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1sfd s THR 42 CO 0.26 0.56 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.87 1sfd s VAL 43 N -0.75 2.67 -0.18 3.82 1.01 0.10 -4.26 120.40 122.81 1sfd s VAL 43 Ca 0.19 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1sfd s VAL 43 Cb -0.14 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1sfd s VAL 43 CO 0.08 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.67 1sfd s THR 44 N -0.17 2.30 0.12 3.92 2.01 -0.23 -1.15 115.64 122.44 1sfd s THR 44 Ca -0.02 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 60.88 1sfd s THR 44 Cb -0.14 -1.97 -0.07 0.00 0.01 0.00 0.00 72.50 70.33 1sfd s THR 44 CO 0.03 0.52 0.72 0.26 -0.69 0.00 0.00 174.62 175.47 1sfd s TRP 45 N 1.20 3.86 -0.12 4.92 0.51 0.10 -1.00 118.94 128.41 1sfd s TRP 45 Ca 0.02 1.51 -0.00 0.00 -2.12 0.00 0.00 56.10 55.52 1sfd s TRP 45 Cb -0.14 -2.70 0.02 0.00 -0.81 0.00 0.00 33.47 29.84 1sfd s TRP 45 CO -0.09 0.50 -0.10 0.42 -0.51 0.00 0.00 176.95 177.17 1sfd s ILE 46 N -0.98 1.23 -0.31 2.03 1.01 -0.24 -1.20 121.20 122.74 1sfd s ILE 46 Ca 0.34 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 1sfd s ILE 46 Cb -0.22 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1sfd s ILE 46 CO 0.24 0.40 1.09 0.21 0.00 0.00 0.00 174.94 176.88 1sfd s ASN 47 N 1.58 6.92 0.00 3.58 2.47 -0.39 -0.78 114.94 128.32 1sfd s ASN 47 Ca 0.04 1.09 0.25 0.00 0.42 0.00 0.00 52.86 54.66 1sfd s ASN 47 Cb -0.13 -2.54 0.51 0.00 -1.45 0.00 0.00 41.25 37.64 1sfd s ASN 47 CO -0.09 -0.88 1.43 0.54 -3.72 0.00 0.00 177.10 174.38 1sfd n ARG 48 N 6.87 1.87 -4.46 0.43 5.12 -0.01 -0.14 116.66 126.35 1sfd n ARG 48 Ca 0.12 -1.39 -0.22 0.00 -1.93 0.00 0.00 57.85 54.43 1sfd n ARG 48 Cb 0.47 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 30.19 1sfd n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1sfd s GLU 49 N -2.09 1.63 0.24 5.56 -1.05 -1.24 -4.79 118.70 116.96 1sfd s GLU 49 Ca 0.30 -1.86 -0.04 0.00 -0.15 0.00 0.00 54.97 53.22 1sfd s GLU 49 Cb 0.20 -1.13 0.25 0.00 -0.44 0.00 0.00 34.13 33.01 1sfd s GLU 49 CO 0.36 -0.04 1.73 0.00 0.95 0.00 0.00 175.26 178.26 1sfd h ALA 50 N 2.17 1.03 -2.47 -0.84 0.00 -1.96 -3.25 119.26 113.93 1sfd h ALA 50 Ca -0.41 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 53.69 1sfd h ALA 50 Cb 1.24 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 18.86 1sfd h ALA 50 CO 0.70 0.61 1.08 -0.12 0.00 0.00 0.00 179.25 181.51 1sfd n MET 51 N -4.20 2.72 -2.21 0.00 0.00 -1.26 -4.48 117.12 107.69 1sfd n MET 51 Ca 0.03 0.99 -0.34 0.00 0.00 0.00 0.00 57.70 58.38 1sfd n MET 51 Cb 0.31 -2.87 0.00 0.00 0.00 0.00 0.00 33.22 30.66 1sfd n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1sfd s PRO 52 N 2.53 3.35 0.20 2.12 0.02 -1.26 -4.78 135.00 137.17 1sfd s PRO 52 Ca 0.82 1.49 -0.06 0.00 0.02 0.00 0.00 61.00 63.27 1sfd s PRO 52 Cb -0.51 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 1sfd s PRO 52 CO 0.37 -0.83 0.24 -1.01 -0.33 0.00 0.00 177.00 175.45 1sfd s HIS 53 N -1.97 0.76 0.10 6.54 3.76 -0.88 -4.96 115.29 118.63 1sfd s HIS 53 Ca 0.70 -1.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 1sfd s HIS 53 Cb -0.21 -0.25 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 1sfd s HIS 53 CO 0.29 -0.73 0.10 0.27 -0.85 0.00 0.00 174.74 173.81 1sfd n ASN 54 N -0.27 -0.26 -4.27 1.40 6.94 -1.26 -0.57 115.26 116.97 1sfd n ASN 54 Ca -0.02 -1.62 -0.28 0.00 -0.02 0.00 0.00 54.58 52.64 1sfd n ASN 54 Cb 0.64 0.57 -0.15 0.00 -2.36 0.00 0.00 39.78 38.47 1sfd n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1sfd s VAL 55 N -2.44 1.85 -0.10 3.53 -7.23 -1.26 -4.40 120.40 110.35 1sfd s VAL 55 Ca 0.11 -1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 1sfd s VAL 55 Cb 0.00 -1.56 0.05 0.00 0.56 0.00 0.00 36.38 35.43 1sfd s VAL 55 CO 0.08 0.42 0.14 -2.28 -0.31 0.00 0.00 175.10 173.14 1sfd s HIS 56 N -0.65 -0.09 -0.20 2.82 5.04 0.75 -0.39 115.29 122.56 1sfd s HIS 56 Ca 0.09 0.37 -0.05 0.00 -1.54 0.00 0.00 55.06 53.93 1sfd s HIS 56 Cb -0.09 -0.38 -0.02 0.00 0.04 0.00 0.00 32.58 32.13 1sfd s HIS 56 CO 0.00 -0.32 -0.00 -0.06 -2.34 0.00 0.00 174.74 172.02 1sfd s PHE 57 N 2.25 3.04 0.88 3.88 0.40 -0.02 -0.89 117.98 127.52 1sfd s PHE 57 Ca 0.04 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1sfd s PHE 57 Cb -0.13 -2.08 0.12 0.00 0.51 0.00 0.00 43.02 41.44 1sfd s PHE 57 CO -0.06 -0.23 1.10 0.14 0.70 0.00 0.00 175.22 176.86 1sfd s VAL 58 N 0.98 2.67 0.26 -0.44 -7.23 -1.26 -0.77 120.40 114.60 1sfd s VAL 58 Ca 0.01 0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 60.10 1sfd s VAL 58 Cb -0.14 -2.80 -0.14 0.00 0.56 0.00 0.00 36.38 33.86 1sfd s VAL 58 CO 0.02 -0.28 1.30 0.00 -0.31 0.00 0.00 175.10 175.82 1sfd n ALA 59 N -3.77 0.71 0.00 1.32 0.00 -1.26 -2.05 120.51 115.47 1sfd n ALA 59 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1sfd n ALA 59 Cb 0.56 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1sfd n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfd n GLY 60 N 1.74 3.21 0.07 0.00 0.00 -0.05 -4.88 105.19 105.28 1sfd n GLY 60 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1sfd n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sfd h VAL 61 N 0.00 1.44 -0.21 1.61 2.07 -1.69 -3.30 116.25 116.17 1sfd h VAL 61 Ca 0.00 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1sfd h VAL 61 Cb 0.00 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1sfd h VAL 61 CO 0.00 0.40 0.00 0.18 0.02 0.00 0.00 177.57 178.17 1sfd n LEU 62 N -4.77 3.02 0.00 2.57 4.77 -1.26 -4.88 117.00 116.45 1sfd n LEU 62 Ca -0.09 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 1sfd n LEU 62 Cb 0.33 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1sfd n LEU 62 CO 0.32 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1sfd n GLY 63 N 1.40 -0.13 0.19 -0.72 0.00 -1.24 -0.48 105.19 104.21 1sfd n GLY 63 Ca 0.17 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 1sfd n GLY 63 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sfd h GLU 64 N 4.46 -0.23 -7.02 1.61 4.81 -1.96 -0.10 114.58 116.15 1sfd h GLU 64 Ca 0.00 0.02 -0.49 0.00 -0.13 0.00 0.00 59.36 58.75 1sfd h GLU 64 Cb 0.00 0.05 0.04 0.00 0.63 0.00 0.00 28.75 29.48 1sfd h GLU 64 CO 0.00 -0.15 0.43 0.00 -0.73 0.00 0.00 179.01 178.56 1sfd s ALA 65 N -6.14 2.94 0.79 2.92 0.00 -1.26 -1.99 121.76 119.02 1sfd s ALA 65 Ca -0.14 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 1sfd s ALA 65 Cb 0.08 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1sfd s ALA 65 CO 0.66 -0.47 1.16 0.00 0.00 0.00 0.00 175.76 177.11 1sfd s ALA 66 N -1.70 1.98 -0.33 0.00 0.00 -1.26 -4.17 121.76 116.28 1sfd s ALA 66 Ca 0.64 0.65 0.02 0.00 0.00 0.00 0.00 51.96 53.27 1sfd s ALA 66 Cb -0.23 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.56 1sfd s ALA 66 CO 0.28 -2.06 0.03 -1.17 0.00 0.00 0.00 175.76 172.84 1sfd s LEU 67 N -5.69 4.41 -0.54 0.00 2.96 0.05 -4.91 118.68 114.96 1sfd s LEU 67 Ca 0.69 -1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 52.60 1sfd s LEU 67 Cb -0.24 -1.65 0.13 0.00 0.50 0.00 0.00 46.19 44.93 1sfd s LEU 67 CO 0.50 -0.34 0.51 -0.75 -1.32 0.00 0.00 176.35 174.95 1sfd s LYS 68 N 1.03 3.00 0.78 1.98 2.20 -1.26 -0.84 119.74 126.63 1sfd s LYS 68 Ca 0.03 -1.72 -0.11 0.00 -0.36 0.00 0.00 55.97 53.82 1sfd s LYS 68 Cb -0.20 -4.30 0.06 0.00 -1.51 0.00 0.00 37.83 31.88 1sfd s LYS 68 CO -0.06 -1.33 1.11 0.20 -0.36 0.00 0.00 175.35 174.91 1sfd s GLY 69 N 3.58 1.76 0.62 5.54 0.00 0.47 -4.98 107.32 114.32 1sfd s GLY 69 Ca 0.03 0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.96 1sfd s GLY 69 CO 0.03 0.73 1.12 2.56 0.00 0.00 0.00 173.10 177.54 1sfd s PRO 70 N -4.73 2.97 0.28 2.90 0.04 -1.26 -4.66 135.00 130.53 1sfd s PRO 70 Ca 0.63 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1sfd s PRO 70 Cb -0.19 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 1sfd s PRO 70 CO 0.54 -1.13 1.57 -0.12 0.04 0.00 0.00 177.00 177.91 1sfd n MET 71 N -2.08 2.59 -4.01 4.56 0.00 -1.26 -4.60 117.12 112.32 1sfd n MET 71 Ca 0.11 0.92 -0.34 0.00 -0.00 0.00 0.00 57.70 58.39 1sfd n MET 71 Cb 0.52 -2.69 -0.15 0.00 0.00 0.00 0.00 33.22 30.90 1sfd n MET 71 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1sfd s MET 72 N -0.34 2.78 0.96 2.12 -1.94 0.27 -4.82 119.30 118.33 1sfd s MET 72 Ca 0.66 -1.00 -0.16 0.00 -1.71 0.00 0.00 55.69 53.48 1sfd s MET 72 Cb -0.53 -2.89 0.19 0.00 2.01 0.00 0.00 34.83 33.61 1sfd s MET 72 CO 0.47 -0.39 1.28 0.15 -0.01 0.00 0.00 175.02 176.53 1sfd s LYS 73 N 1.29 0.68 0.25 2.03 1.02 -1.26 -2.08 119.74 121.66 1sfd s LYS 73 Ca -0.00 -0.30 -0.31 0.00 0.02 0.00 0.00 55.97 55.38 1sfd s LYS 73 Cb -0.16 -1.84 -0.13 0.00 -0.52 0.00 0.00 37.83 35.17 1sfd s LYS 73 CO -0.06 -2.41 1.38 1.17 -0.92 0.00 0.00 175.35 174.51 1sfd n LYS 74 N -3.79 2.02 -2.49 1.68 4.81 -1.23 -1.65 118.16 117.51 1sfd n LYS 74 Ca 0.14 0.72 -0.19 0.00 -0.87 0.00 0.00 58.31 58.10 1sfd n LYS 74 Cb 0.60 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1sfd n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sfd n GLU 75 N 1.80 -2.17 -4.17 1.64 -0.58 0.80 -5.00 120.64 112.96 1sfd n GLU 75 Ca 0.11 0.90 -0.29 0.00 -0.42 0.00 0.00 57.16 57.46 1sfd n GLU 75 Cb 0.32 -5.49 -0.08 0.00 -0.57 0.00 0.00 31.44 25.61 1sfd n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1sfd s GLN 76 N -5.09 2.39 0.13 3.49 -0.21 -0.66 -1.01 119.66 118.69 1sfd s GLN 76 Ca 0.06 -0.96 0.05 0.00 0.02 0.00 0.00 55.36 54.53 1sfd s GLN 76 Cb -0.03 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 1sfd s GLN 76 CO 0.07 0.51 -0.11 0.00 -2.12 0.00 0.00 175.29 173.64 1sfd s ALA 77 N -1.39 1.36 -0.17 6.09 0.00 0.27 -1.26 121.76 126.65 1sfd s ALA 77 Ca 0.25 -1.36 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1sfd s ALA 77 Cb -0.11 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1sfd s ALA 77 CO 0.17 -0.04 0.44 -0.47 0.00 0.00 0.00 175.76 175.86 1sfd s TYR 78 N -2.82 -0.55 0.11 0.00 5.04 -0.34 -0.66 117.35 118.13 1sfd s TYR 78 Ca 0.12 1.26 0.10 0.00 -2.44 0.00 0.00 57.07 56.11 1sfd s TYR 78 Cb -0.01 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.49 1sfd s TYR 78 CO 0.01 -0.29 -0.24 -1.12 -1.34 0.00 0.00 175.55 172.57 1sfd s SER 79 N 0.75 3.49 0.01 4.32 0.01 -1.26 -0.72 113.70 120.30 1sfd s SER 79 Ca -0.04 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 1sfd s SER 79 Cb -0.05 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 1sfd s SER 79 CO -0.06 0.19 0.00 -0.76 0.41 0.00 0.00 173.24 173.03 1sfd s LEU 80 N -1.95 2.07 -0.17 2.44 1.43 -0.30 -4.36 118.68 117.83 1sfd s LEU 80 Ca 0.15 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1sfd s LEU 80 Cb -0.10 0.14 -0.01 0.00 0.03 0.00 0.00 46.19 46.25 1sfd s LEU 80 CO 0.07 -0.20 -0.10 -0.89 0.23 0.00 0.00 176.35 175.45 1sfd s THR 81 N -0.92 3.06 -0.19 5.49 2.01 -0.47 -0.72 115.64 123.91 1sfd s THR 81 Ca -0.10 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1sfd s THR 81 Cb -0.06 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1sfd s THR 81 CO -0.00 0.49 0.46 -0.36 -0.69 0.00 0.00 174.62 174.51 1sfd s PHE 82 N 0.91 3.39 -0.48 4.92 0.40 -0.45 -0.52 117.98 126.14 1sfd s PHE 82 Ca -0.02 0.71 0.04 0.00 -0.60 0.00 0.00 56.93 57.06 1sfd s PHE 82 Cb -0.15 -2.59 0.05 0.00 0.51 0.00 0.00 43.02 40.85 1sfd s PHE 82 CO -0.00 -0.02 0.73 0.25 0.70 0.00 0.00 175.22 176.88 1sfd n THR 83 N 4.33 0.22 -3.82 0.64 -2.24 -0.40 -0.34 114.28 112.67 1sfd n THR 83 Ca -0.07 -0.61 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 1sfd n THR 83 Cb 0.51 0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 69.57 1sfd n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sfd s GLU 84 N -0.49 0.13 0.49 -0.78 2.12 -1.19 -4.73 118.70 114.25 1sfd s GLU 84 Ca 0.06 0.19 -0.23 0.00 0.36 0.00 0.00 54.97 55.35 1sfd s GLU 84 Cb 0.04 0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 1sfd s GLU 84 CO 0.05 -0.04 1.32 0.00 -0.54 0.00 0.00 175.26 176.06 1sfd s ALA 85 N 0.20 2.98 0.00 6.30 0.00 -1.26 -4.84 121.76 125.14 1sfd s ALA 85 Ca -0.01 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1sfd s ALA 85 Cb -0.02 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1sfd s ALA 85 CO -0.01 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1sfd n GLY 86 N 0.63 -1.16 3.29 0.00 0.00 -0.44 -4.98 105.19 102.54 1sfd n GLY 86 Ca 0.08 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 1sfd n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sfd s THR 87 N -1.83 2.60 -0.24 2.61 2.01 -1.26 -0.37 115.64 119.16 1sfd s THR 87 Ca 0.00 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1sfd s THR 87 Cb 0.00 -2.07 0.06 0.00 0.01 0.00 0.00 72.50 70.50 1sfd s THR 87 CO 0.00 0.53 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.09 1sfd s TYR 88 N 0.50 2.63 0.31 4.92 2.02 0.03 -4.99 117.35 122.78 1sfd s TYR 88 Ca -0.11 -1.93 -0.16 0.00 -0.37 0.00 0.00 57.07 54.50 1sfd s TYR 88 Cb -0.16 -1.70 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 1sfd s TYR 88 CO 0.05 -0.81 0.74 -0.51 -1.57 0.00 0.00 175.55 173.44 1sfd s ASP 89 N 1.31 6.81 0.16 2.29 1.01 -1.26 -1.07 116.67 125.93 1sfd s ASP 89 Ca -0.06 1.30 -0.08 0.00 0.71 0.00 0.00 52.55 54.43 1sfd s ASP 89 Cb -0.19 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1sfd s ASP 89 CO -0.06 -0.17 0.25 -0.72 0.21 0.00 0.00 175.17 174.67 1sfd s TYR 90 N -1.92 0.49 0.29 4.23 1.13 -0.21 -4.61 117.35 116.74 1sfd s TYR 90 Ca 0.53 -0.85 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 1sfd s TYR 90 Cb -0.11 -0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 1sfd s TYR 90 CO 0.18 -0.69 0.32 -3.38 -2.51 0.00 0.00 175.55 169.47 1sfd s HIS 91 N -3.99 1.25 -0.23 -3.49 -3.43 -0.07 -1.49 115.29 103.85 1sfd s HIS 91 Ca 0.19 -1.38 -0.13 0.00 -0.80 0.00 0.00 55.06 52.93 1sfd s HIS 91 Cb 0.04 -0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 30.76 1sfd s HIS 91 CO 0.01 -0.91 0.30 0.00 -2.00 0.00 0.00 174.74 172.14 1sfd h THR 93 N 5.09 1.03 -0.20 0.00 2.02 -1.91 -2.19 112.91 116.75 1sfd h THR 93 Ca -0.36 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 1sfd h THR 93 Cb 1.17 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1sfd h THR 93 CO 0.68 0.18 -0.38 -0.26 0.37 0.00 0.00 175.52 176.11 1sfd h PHE 94 N 1.00 0.52 -2.56 3.16 -1.00 -1.93 -3.38 116.94 112.74 1sfd h PHE 94 Ca 0.40 -0.14 -0.60 0.00 2.81 0.00 0.00 57.97 60.45 1sfd h PHE 94 Cb 0.22 -0.11 -0.40 0.00 3.61 0.00 0.00 35.95 39.27 1sfd h PHE 94 CO -0.03 0.76 -0.84 0.72 -1.61 0.00 0.00 178.31 177.32 1sfd n HIS 95 N -4.04 0.70 0.27 -0.55 8.25 -0.87 -5.01 115.22 113.98 1sfd n HIS 95 Ca -0.01 -3.70 0.15 0.00 -0.26 0.00 0.00 57.72 53.90 1sfd n HIS 95 Cb 0.48 -0.11 0.72 0.00 1.12 0.00 0.00 29.99 32.20 1sfd n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1sfd h PRO 96 N 5.35 0.00 0.00 -0.41 0.11 -1.63 0.73 132.00 136.16 1sfd h PRO 96 Ca 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1sfd h PRO 96 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sfd h PRO 96 CO 0.51 0.00 -0.01 0.27 -0.21 0.00 0.00 178.00 178.57 1sfd h PHE 97 N 0.00 0.00 -3.07 0.65 -5.15 -1.95 -3.42 116.94 104.00 1sfd h PHE 97 Ca 0.00 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.20 1sfd h PHE 97 Cb 0.15 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.28 1sfd h PHE 97 CO 0.00 0.01 0.94 -1.64 -2.00 0.00 0.00 178.31 175.62 1sfd s MET 98 N -3.84 4.03 0.03 6.09 -1.94 0.25 -5.01 119.30 118.91 1sfd s MET 98 Ca -0.01 1.38 0.04 0.00 -1.71 0.00 0.00 55.69 55.39 1sfd s MET 98 Cb 0.10 -3.83 -0.02 0.00 2.01 0.00 0.00 34.83 33.09 1sfd s MET 98 CO 0.50 -0.96 -0.12 1.03 -0.01 0.00 0.00 175.02 175.45 1sfd s ARG 99 N 3.91 0.86 0.30 2.03 0.52 -1.26 -2.30 118.95 123.00 1sfd s ARG 99 Ca 0.55 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 55.03 1sfd s ARG 99 Cb -0.18 -0.84 -0.00 0.00 0.52 0.00 0.00 34.95 34.45 1sfd s ARG 99 CO 0.19 0.21 0.45 0.20 0.02 0.00 0.00 175.30 176.38 1sfd s GLY 100 N -0.98 1.14 0.05 -3.53 0.00 -0.56 -4.71 107.32 98.73 1sfd s GLY 100 Ca 0.01 -1.30 -0.15 0.00 0.00 0.00 0.00 44.72 43.28 1sfd s GLY 100 CO 0.01 -0.89 0.33 -1.59 0.00 0.00 0.00 173.10 170.95 1sfd s LYS 101 N -3.44 0.84 -0.18 2.90 -2.85 0.28 -1.04 119.74 116.26 1sfd s LYS 101 Ca 0.28 -0.49 -0.00 0.00 -1.00 0.00 0.00 55.97 54.76 1sfd s LYS 101 Cb 0.00 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1sfd s LYS 101 CO 0.16 -0.28 -0.14 0.08 0.10 0.00 0.00 175.35 175.27 1sfd s VAL 102 N -2.59 2.68 -0.26 1.79 1.01 -0.23 -1.96 120.40 120.84 1sfd s VAL 102 Ca -0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1sfd s VAL 102 Cb -0.01 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1sfd s VAL 102 CO -0.03 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1sfd s VAL 103 N 1.07 4.65 -0.19 2.92 1.01 0.39 -0.79 120.40 129.47 1sfd s VAL 103 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1sfd s VAL 103 Cb -0.14 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 1sfd s VAL 103 CO -0.04 0.30 -0.11 -0.69 0.00 0.00 0.00 175.10 174.56 1sfd s VAL 104 N 1.66 2.89 -1.37 2.92 1.01 0.51 -0.73 120.40 127.30 1sfd s VAL 104 Ca 0.07 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.49 1sfd s VAL 104 Cb -0.15 -2.27 0.09 0.00 0.00 0.00 0.00 36.38 34.04 1sfd s VAL 104 CO 0.06 0.48 0.85 -0.62 0.00 0.00 0.00 175.10 175.87