#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m s SER 2 N 0.00 0.23 -0.11 1.61 1.04 -1.26 -5.09 113.70 110.12 1x1m s SER 2 Ca 0.00 -1.20 -0.09 0.00 0.48 0.00 0.00 55.95 55.14 1x1m s SER 2 Cb 0.00 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1x1m s SER 2 CO 0.00 -0.79 -0.20 -0.24 0.98 0.00 0.00 173.24 173.00 1x1m n SER 3 N -0.16 1.31 -0.26 7.02 2.88 -1.26 -4.66 113.62 118.50 1x1m n SER 3 Ca -0.04 0.21 -0.07 0.00 -1.33 0.00 0.00 58.87 57.64 1x1m n SER 3 Cb 0.64 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1x1m n SER 3 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x1m h GLY 4 N -0.55 -1.49 -7.78 0.46 0.00 -2.09 -3.18 103.07 88.44 1x1m h GLY 4 Ca -0.20 0.92 -0.77 0.00 0.00 0.00 0.00 47.33 47.27 1x1m h GLY 4 CO -0.12 -0.33 0.03 -0.56 0.00 0.00 0.00 176.54 175.55 1x1m s SER 5 N -4.59 6.52 0.00 0.19 0.01 -1.26 -5.05 113.70 109.53 1x1m s SER 5 Ca -0.08 -2.74 -0.10 0.00 1.31 0.00 0.00 55.95 54.34 1x1m s SER 5 Cb 0.07 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 1x1m s SER 5 CO 0.40 -0.53 0.32 -0.94 0.41 0.00 0.00 173.24 172.91 1x1m s SER 6 N 1.89 6.61 -0.57 2.44 1.04 -1.20 -4.81 113.70 119.09 1x1m s SER 6 Ca 0.18 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.31 1x1m s SER 6 Cb -0.12 -2.16 0.15 0.00 0.10 0.00 0.00 66.02 63.99 1x1m s SER 6 CO -0.08 0.28 0.38 -0.83 0.98 0.00 0.00 173.24 173.97 1x1m s GLY 7 N -1.42 2.38 -0.10 7.32 0.00 -1.26 -5.07 107.32 109.17 1x1m s GLY 7 Ca 0.26 -3.08 -0.30 0.00 0.00 0.00 0.00 44.72 41.60 1x1m s GLY 7 CO 0.14 1.08 1.06 1.06 0.00 0.00 0.00 173.10 176.44 1x1m s MET 8 N 0.24 4.39 0.20 2.90 1.00 -1.26 -5.04 119.30 121.73 1x1m s MET 8 Ca 0.15 1.46 0.11 0.00 0.00 0.00 0.00 55.69 57.41 1x1m s MET 8 Cb -0.21 -3.56 -0.04 0.00 0.00 0.00 0.00 34.83 31.02 1x1m s MET 8 CO -0.04 -0.37 -0.22 0.45 0.00 0.00 0.00 175.02 174.84 1x1m s SER 9 N 1.21 3.26 0.74 3.03 0.15 -1.26 -5.15 113.70 115.68 1x1m s SER 9 Ca 0.50 -0.90 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 1x1m s SER 9 Cb -0.20 -0.24 0.08 0.00 -1.71 0.00 0.00 66.02 63.96 1x1m s SER 9 CO 0.18 0.06 1.07 -0.76 1.20 0.00 0.00 173.24 174.99 1x1m s LEU 10 N -2.83 2.77 0.00 3.45 2.01 -1.26 -5.08 118.68 117.74 1x1m s LEU 10 Ca 0.21 0.44 -0.14 0.00 0.01 0.00 0.00 54.13 54.65 1x1m s LEU 10 Cb -0.07 -3.00 0.21 0.00 0.01 0.00 0.00 46.19 43.35 1x1m s LEU 10 CO 0.10 -1.76 0.77 -0.24 1.01 0.00 0.00 176.35 176.23 1x1m n SER 11 N -3.05 -1.74 -0.11 2.29 2.88 -1.26 -5.02 113.62 107.61 1x1m n SER 11 Ca 0.09 -0.97 -0.23 0.00 -1.33 0.00 0.00 58.87 56.42 1x1m n SER 11 Cb 0.60 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 63.24 1x1m n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x1m n ASP 12 N -4.30 1.98 -4.72 -3.46 8.00 -1.26 -4.93 116.55 107.86 1x1m n ASP 12 Ca 0.11 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.36 1x1m n ASP 12 Cb 0.41 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1x1m n ASP 12 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1x1m s TRP 13 N -2.50 3.02 0.17 1.24 -0.11 -1.26 -5.01 118.94 114.50 1x1m s TRP 13 Ca -0.33 0.61 0.07 0.00 1.22 0.00 0.00 56.10 57.67 1x1m s TRP 13 Cb 0.10 -3.93 -0.04 0.00 -1.50 0.00 0.00 33.47 28.10 1x1m s TRP 13 CO 0.59 -3.44 -0.14 -3.38 -4.62 0.00 0.00 176.95 165.96 1x1m s HIS 14 N 1.24 1.59 0.08 5.86 -3.43 -1.26 -3.91 115.29 115.45 1x1m s HIS 14 Ca 0.70 -0.59 -0.12 0.00 -0.80 0.00 0.00 55.06 54.26 1x1m s HIS 14 Cb -0.43 -0.77 0.01 0.00 -1.43 0.00 0.00 32.58 29.96 1x1m s HIS 14 CO 0.31 0.27 0.27 -1.17 -2.00 0.00 0.00 174.74 172.42 1x1m s LEU 15 N -3.04 1.04 0.12 5.38 2.96 -0.86 -4.44 118.68 119.84 1x1m s LEU 15 Ca 0.18 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1x1m s LEU 15 Cb -0.02 1.30 -0.06 0.00 0.50 0.00 0.00 46.19 47.92 1x1m s LEU 15 CO 0.05 -0.71 0.37 0.00 -1.32 0.00 0.00 176.35 174.74 1x1m s ALA 16 N -3.37 3.79 -0.03 5.97 0.00 -1.14 -1.87 121.76 125.12 1x1m s ALA 16 Ca 0.01 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1x1m s ALA 16 Cb 0.02 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 1x1m s ALA 16 CO -0.08 0.66 -0.13 0.08 0.00 0.00 0.00 175.76 176.28 1x1m s VAL 17 N -1.60 1.09 -0.01 0.00 1.01 -0.13 -2.82 120.40 117.93 1x1m s VAL 17 Ca 0.39 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1x1m s VAL 17 Cb -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1x1m s VAL 17 CO 0.23 0.32 0.03 -0.54 0.00 0.00 0.00 175.10 175.13 1x1m s LYS 18 N -0.00 0.01 -0.37 2.72 -0.14 -0.81 -2.30 119.74 118.85 1x1m s LYS 18 Ca -0.01 0.08 -0.23 0.00 -1.36 0.00 0.00 55.97 54.44 1x1m s LYS 18 Cb -0.09 -0.06 0.01 0.00 -1.68 0.00 0.00 37.83 36.01 1x1m s LYS 18 CO 0.01 -0.05 0.80 -1.17 -0.76 0.00 0.00 175.35 174.18 1x1m s LEU 19 N 0.32 4.12 0.59 3.17 2.96 -1.26 -2.01 118.68 126.57 1x1m s LEU 19 Ca -0.03 0.37 0.34 0.00 -0.22 0.00 0.00 54.13 54.60 1x1m s LEU 19 Cb -0.04 -3.05 1.83 0.00 0.50 0.00 0.00 46.19 45.43 1x1m s LEU 19 CO -0.01 -0.75 2.19 0.00 -1.32 0.00 0.00 176.35 176.46 1x1m h ALA 20 N 8.49 1.19 0.05 5.97 0.00 -1.64 -1.84 119.26 131.48 1x1m h ALA 20 Ca -0.25 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1x1m h ALA 20 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1x1m h ALA 20 CO 0.92 0.05 -1.06 0.22 0.00 0.00 0.00 179.25 179.38 1x1m h ASP 21 N 0.00 0.22 -3.60 0.00 1.82 -1.91 -3.40 116.42 109.54 1x1m h ASP 21 Ca -0.00 -0.22 -0.62 0.00 -0.39 0.00 0.00 57.03 55.81 1x1m h ASP 21 Cb 0.19 -0.07 -0.40 0.00 0.68 0.00 0.00 39.33 39.73 1x1m h ASP 21 CO 0.01 1.13 -0.71 -1.10 -1.61 0.00 0.00 179.24 176.95 1x1m s GLN 22 N -2.81 1.50 0.00 0.28 -0.21 -0.69 -4.94 119.66 112.79 1x1m s GLN 22 Ca -0.02 -2.24 0.15 0.00 0.02 0.00 0.00 55.36 53.27 1x1m s GLN 22 Cb 0.09 -2.58 0.69 0.00 1.00 0.00 0.00 33.01 32.21 1x1m s GLN 22 CO 0.85 -1.17 1.42 -0.35 -2.12 0.00 0.00 175.29 173.92 1x1m n PRO 23 N 3.31 0.14 -0.07 2.91 -0.04 -1.22 -2.43 135.00 137.59 1x1m n PRO 23 Ca 0.10 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1x1m n PRO 23 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1x1m n PRO 23 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x1m n LEU 24 N -1.36 0.39 -4.56 1.53 4.77 -1.26 -4.97 117.00 111.54 1x1m n LEU 24 Ca 0.06 0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.81 1x1m n LEU 24 Cb 0.13 0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1x1m n LEU 24 CO 0.12 0.47 0.36 0.00 -1.33 0.00 0.00 177.39 177.02 1x1m n ALA 25 N -2.69 -0.41 -1.77 -1.18 0.00 -1.02 -4.93 120.51 108.50 1x1m n ALA 25 Ca -0.28 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 52.73 1x1m n ALA 25 Cb 1.12 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1x1m n ALA 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x1m s PRO 26 N -2.69 3.79 0.68 0.00 0.04 -1.26 -4.91 135.00 130.64 1x1m s PRO 26 Ca 0.73 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 63.42 1x1m s PRO 26 Cb -0.40 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.71 1x1m s PRO 26 CO 0.50 -0.53 1.09 0.21 0.04 0.00 0.00 177.00 178.32 1x1m s LYS 27 N -2.65 2.76 -0.01 4.56 2.20 -1.26 -4.91 119.74 120.44 1x1m s LYS 27 Ca 0.63 1.28 0.04 0.00 -0.36 0.00 0.00 55.97 57.56 1x1m s LYS 27 Cb -0.29 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.07 1x1m s LYS 27 CO 0.35 -1.26 -0.14 0.45 -0.36 0.00 0.00 175.35 174.39 1x1m s SER 28 N -2.88 1.65 -0.22 1.43 0.15 -0.97 -4.98 113.70 107.88 1x1m s SER 28 Ca 0.65 -0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.89 1x1m s SER 28 Cb -0.19 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 1x1m s SER 28 CO 0.45 0.17 0.34 -0.63 1.20 0.00 0.00 173.24 174.77 1x1m s ILE 29 N -0.35 5.23 -0.11 6.45 -1.09 -1.26 -0.96 121.20 129.10 1x1m s ILE 29 Ca 0.05 0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 59.02 1x1m s ILE 29 Cb -0.06 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1x1m s ILE 29 CO -0.00 0.25 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.69 1x1m s LEU 30 N 1.42 3.26 -0.30 2.97 2.96 -0.78 -4.99 118.68 123.22 1x1m s LEU 30 Ca 0.16 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1x1m s LEU 30 Cb -0.15 -1.75 0.08 0.00 0.50 0.00 0.00 46.19 44.88 1x1m s LEU 30 CO 0.08 0.27 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.26 1x1m s GLN 31 N -0.25 1.69 0.51 1.98 -0.21 -1.26 -2.04 119.66 120.07 1x1m s GLN 31 Ca 0.04 -1.52 -0.20 0.00 0.02 0.00 0.00 55.36 53.71 1x1m s GLN 31 Cb -0.13 -2.92 -0.07 0.00 1.00 0.00 0.00 33.01 30.89 1x1m s GLN 31 CO 0.02 -0.77 1.07 -0.48 -2.12 0.00 0.00 175.29 173.01 1x1m s LEU 32 N 1.09 3.81 0.97 2.90 0.05 -1.25 -4.73 118.68 121.51 1x1m s LEU 32 Ca 0.02 2.01 -0.12 0.00 0.05 0.00 0.00 54.13 56.09 1x1m s LEU 32 Cb -0.19 -4.57 0.17 0.00 -2.05 0.00 0.00 46.19 39.55 1x1m s LEU 32 CO -0.08 -0.94 1.09 -2.16 -0.55 0.00 0.00 176.35 173.71 1x1m s PRO 33 N -3.26 0.67 0.41 1.48 0.04 -1.26 -4.33 135.00 128.75 1x1m s PRO 33 Ca 0.69 0.62 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1x1m s PRO 33 Cb -0.19 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1x1m s PRO 33 CO 0.23 -2.59 1.06 -1.83 0.04 0.00 0.00 177.00 173.90 1x1m s GLU 34 N -4.95 4.09 0.24 4.56 1.03 -1.26 -5.01 118.70 117.40 1x1m s GLU 34 Ca 0.65 1.52 0.05 0.00 0.03 0.00 0.00 54.97 57.21 1x1m s GLU 34 Cb -0.18 -2.47 -0.03 0.00 -0.80 0.00 0.00 34.13 30.64 1x1m s GLU 34 CO 0.57 -0.21 0.35 -0.08 -1.33 0.00 0.00 175.26 174.57 1x1m s THR 35 N -1.69 5.17 0.51 1.83 -1.32 -1.21 -4.96 115.64 113.97 1x1m s THR 35 Ca 0.59 -1.02 0.42 0.00 -1.21 0.00 0.00 61.69 60.47 1x1m s THR 35 Cb -0.22 -3.82 0.63 0.00 -1.51 0.00 0.00 72.50 67.59 1x1m s THR 35 CO 0.27 -0.33 1.61 1.05 -2.21 0.00 0.00 174.62 175.02 1x1m h GLU 36 N 1.18 0.02 0.00 7.08 4.11 -2.00 -2.42 114.58 122.55 1x1m h GLU 36 Ca -0.52 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.91 1x1m h GLU 36 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1x1m h GLU 36 CO 0.61 0.02 0.00 1.28 0.07 0.00 0.00 179.01 180.98 1x1m n LEU 37 N -4.25 1.38 0.00 3.06 7.99 -1.26 -5.11 117.00 118.81 1x1m n LEU 37 Ca 0.40 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 1x1m n LEU 37 Cb 1.73 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 44.79 1x1m n LEU 37 CO 0.35 -0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 1x1m n GLY 38 N 2.09 -0.92 0.00 -0.72 0.00 -0.91 -5.03 105.19 99.70 1x1m n GLY 38 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1x1m n GLY 38 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x1m n GLU 39 N 0.00 2.60 0.23 1.61 0.00 -1.26 -3.33 120.64 120.48 1x1m n GLU 39 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.25 1x1m n GLU 39 Cb 0.00 -0.83 0.49 0.00 0.00 0.00 0.00 31.44 31.10 1x1m n GLU 39 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.13 177.23 1x1m h TYR 40 N 0.00 0.00 -0.98 -1.84 -0.00 -2.01 -3.40 116.97 108.73 1x1m h TYR 40 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 58.73 58.92 1x1m h TYR 40 Cb 0.60 0.00 -0.29 0.00 0.00 0.00 0.00 36.73 37.04 1x1m h TYR 40 CO 0.00 0.00 0.54 0.45 -0.00 0.00 0.00 178.16 179.15 1x1m s SER 41 N -3.72 -0.25 -0.03 0.10 0.15 -1.26 -5.10 113.70 103.59 1x1m s SER 41 Ca -0.02 0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 1x1m s SER 41 Cb 0.05 1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 65.53 1x1m s SER 41 CO 0.16 -0.06 -0.05 0.18 1.20 0.00 0.00 173.24 174.68 1x1m n LEU 42 N 3.81 0.33 -3.96 3.45 4.77 -1.26 -4.52 117.00 119.63 1x1m n LEU 42 Ca -0.14 0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 1x1m n LEU 42 Cb 0.56 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1x1m n LEU 42 CO 0.01 -0.48 -0.13 0.61 -1.33 0.00 0.00 177.39 176.07 1x1m n GLY 43 N 1.62 -0.66 0.00 -0.72 0.00 -1.26 -4.58 105.19 99.59 1x1m n GLY 43 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1x1m n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1m n GLY 44 N -1.78 0.07 3.66 -0.02 0.00 -1.26 -4.83 105.19 101.04 1x1m n GLY 44 Ca -0.10 -0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 1x1m n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1m n TYR 45 N -0.59 2.13 -3.01 1.61 4.01 -1.26 -4.80 117.16 115.24 1x1m n TYR 45 Ca 0.00 0.40 -0.40 0.00 -0.16 0.00 0.00 57.90 57.74 1x1m n TYR 45 Cb 0.00 -2.47 -0.05 0.00 -0.31 0.00 0.00 39.34 36.50 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1x1m s SER 46 N 0.51 7.17 0.24 7.72 0.01 -1.26 -1.97 113.70 126.11 1x1m s SER 46 Ca 0.73 1.40 -0.09 0.00 1.31 0.00 0.00 55.95 59.30 1x1m s SER 46 Cb -0.69 -2.45 0.37 0.00 0.21 0.00 0.00 66.02 63.46 1x1m s SER 46 CO 0.45 0.02 1.39 -0.38 0.41 0.00 0.00 173.24 175.13 1x1m n ILE 47 N 2.82 -0.39 -0.29 1.44 2.08 -0.27 0.77 119.36 125.50 1x1m n ILE 47 Ca -0.03 2.05 0.07 0.00 0.56 0.00 0.00 62.75 65.39 1x1m n ILE 47 Cb 0.50 -2.80 0.17 0.00 -0.75 0.00 0.00 39.64 36.76 1x1m n ILE 47 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1x1m h SER 48 N 0.00 -0.54 -0.66 4.38 0.02 -1.81 -1.05 113.55 113.89 1x1m h SER 48 Ca 0.40 0.24 0.06 0.00 -0.84 0.00 0.00 61.79 61.65 1x1m h SER 48 Cb 0.62 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 63.52 1x1m h SER 48 CO -0.91 -0.26 -0.50 0.15 -1.14 0.00 0.00 176.83 174.18 1x1m h PHE 49 N 0.04 -1.57 -0.40 3.45 3.57 -0.03 -1.10 116.94 120.90 1x1m h PHE 49 Ca 0.46 0.10 0.07 0.00 3.53 0.00 0.00 57.97 62.12 1x1m h PHE 49 Cb 0.81 0.77 -0.09 0.00 2.79 0.00 0.00 35.95 40.23 1x1m h PHE 49 CO -0.53 -0.36 -0.45 -0.07 -2.23 0.00 0.00 178.31 174.67 1x1m h LEU 50 N -0.13 -1.49 -1.02 0.59 3.38 -1.26 0.41 115.31 115.78 1x1m h LEU 50 Ca 0.11 0.22 0.29 0.00 0.09 0.00 0.00 57.88 58.59 1x1m h LEU 50 Cb 0.41 0.64 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1x1m h LEU 50 CO -0.69 -0.38 1.22 0.11 0.09 0.00 0.00 178.44 178.79 1x1m h LYS 51 N -0.35 0.00 0.04 1.13 6.56 -1.05 0.92 116.57 123.82 1x1m h LYS 51 Ca 0.13 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.56 1x1m h LYS 51 Cb 0.59 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 1x1m h LYS 51 CO -0.57 0.00 -0.84 1.96 -2.06 0.00 0.00 179.45 177.94 1x1m h GLN 52 N 0.00 0.08 -0.25 3.15 4.20 0.05 -2.92 115.11 119.42 1x1m h GLN 52 Ca 0.48 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 59.07 1x1m h GLN 52 Cb 2.91 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 30.72 1x1m h GLN 52 CO -0.01 1.06 0.14 -0.07 -0.67 0.00 0.00 178.83 179.29 1x1m h LEU 53 N -0.79 0.23 -0.59 1.46 4.07 0.12 -1.86 115.31 117.95 1x1m h LEU 53 Ca -0.21 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.70 1x1m h LEU 53 Cb 1.33 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 1x1m h LEU 53 CO -0.05 0.17 0.15 0.40 -1.08 0.00 0.00 178.44 178.02 1x1m h ILE 54 N 0.29 1.25 0.00 1.22 5.03 -1.22 -2.12 117.51 121.97 1x1m h ILE 54 Ca 0.10 -0.90 0.00 0.00 -0.12 0.00 0.00 64.86 63.94 1x1m h ILE 54 Cb -0.00 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1x1m h ILE 54 CO -0.05 0.33 0.00 0.00 -0.68 0.00 0.00 178.15 177.76 1x1m h ALA 55 N 1.03 1.00 0.00 1.87 0.00 -1.28 0.38 119.26 122.27 1x1m h ALA 55 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1x1m h ALA 55 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x1m h ALA 55 CO 0.00 0.00 -0.98 0.78 0.00 0.00 0.00 179.25 179.05 1x1m h GLY 56 N 0.51 0.00 0.70 0.00 0.00 -0.66 -3.19 103.07 100.43 1x1m h GLY 56 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1x1m h GLY 56 CO 0.00 0.00 -1.87 0.28 0.00 0.00 0.00 176.54 174.95 1x1m n LYS 57 N -2.98 0.65 -1.01 4.80 4.76 -0.59 -4.09 118.16 119.70 1x1m n LYS 57 Ca -0.04 0.20 -0.09 0.00 -2.87 0.00 0.00 58.31 55.51 1x1m n LYS 57 Cb 0.75 -1.72 0.26 0.00 -1.84 0.00 0.00 35.03 32.49 1x1m n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x1m n LEU 58 N -2.94 6.01 0.18 -0.35 4.77 0.02 -4.53 117.00 120.17 1x1m n LEU 58 Ca -0.20 -3.14 0.08 0.00 -0.03 0.00 0.00 56.01 52.72 1x1m n LEU 58 Cb 1.06 -0.75 0.45 0.00 -2.33 0.00 0.00 43.42 41.84 1x1m n LEU 58 CO 0.44 0.82 0.84 1.56 -1.33 0.00 0.00 177.39 179.73 1x1m h GLN 59 N 2.21 0.00 -0.10 3.23 1.08 -1.70 0.87 115.11 120.70 1x1m h GLN 59 Ca 0.32 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.37 1x1m h GLN 59 Cb 2.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.78 1x1m h GLN 59 CO 0.77 0.00 -0.59 1.05 -0.95 0.00 0.00 178.83 179.11 1x1m h GLU 60 N 0.00 0.34 0.00 1.46 4.11 -1.91 -3.40 114.58 115.19 1x1m h GLU 60 Ca 0.00 -0.23 -0.04 0.00 0.07 0.00 0.00 59.36 59.17 1x1m h GLU 60 Cb 0.50 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1x1m h GLU 60 CO 0.00 0.83 -1.13 0.43 0.07 0.00 0.00 179.01 179.21 1x1m n SER 61 N -3.90 0.71 -4.64 3.06 7.64 0.82 -4.99 113.62 112.31 1x1m n SER 61 Ca -0.03 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1x1m n SER 61 Cb 0.61 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1x1m n SER 61 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x1m s VAL 62 N -2.04 3.57 -0.02 0.44 1.01 0.27 -4.91 120.40 118.71 1x1m s VAL 62 Ca -0.03 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 1x1m s VAL 62 Cb 0.01 -3.54 -0.19 0.00 0.00 0.00 0.00 36.38 32.66 1x1m s VAL 62 CO 0.04 -0.18 1.22 1.55 0.00 0.00 0.00 175.10 177.73 1x1m h PRO 63 N 10.70 -0.06 -3.23 2.72 0.13 -1.86 -3.38 132.00 137.02 1x1m h PRO 63 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 1x1m h PRO 63 Cb 1.17 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1x1m h PRO 63 CO 0.98 0.40 -0.33 -0.51 -0.23 0.00 0.00 178.00 178.31 1x1m s ASP 64 N -5.61 -0.11 0.54 1.44 1.11 -1.26 -5.04 116.67 107.74 1x1m s ASP 64 Ca -0.15 -0.07 0.32 0.00 0.18 0.00 0.00 52.55 52.83 1x1m s ASP 64 Cb 0.02 0.29 1.35 0.00 1.07 0.00 0.00 42.92 45.64 1x1m s ASP 64 CO 0.64 -0.47 1.98 1.55 1.18 0.00 0.00 175.17 180.05 1x1m h PRO 65 N 3.81 0.00 0.00 8.23 0.13 -1.89 -2.90 132.00 139.38 1x1m h PRO 65 Ca -0.30 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.57 1x1m h PRO 65 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1x1m h PRO 65 CO 0.42 0.04 -1.57 0.93 -0.23 0.00 0.00 178.00 177.59 1x1m h GLU 66 N 0.00 0.00 -0.40 0.86 5.08 -1.96 -3.31 114.58 114.84 1x1m h GLU 66 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x1m h GLU 66 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1x1m h GLU 66 CO 0.01 0.51 0.00 1.28 -1.00 0.00 0.00 179.01 179.81 1x1m n LEU 67 N -3.06 1.48 -4.28 1.33 4.77 -1.10 -4.85 117.00 111.30 1x1m n LEU 67 Ca -0.14 -0.75 -0.15 0.00 -0.03 0.00 0.00 56.01 54.95 1x1m n LEU 67 Cb 1.00 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1x1m n LEU 67 CO 0.45 0.30 -0.28 0.27 -1.33 0.00 0.00 177.39 176.80 1x1m s ILE 68 N -1.66 0.57 0.22 -0.08 -5.25 -1.19 -2.27 121.20 111.54 1x1m s ILE 68 Ca 0.15 -1.99 0.01 0.00 -0.99 0.00 0.00 60.65 57.82 1x1m s ILE 68 Cb 0.09 -2.43 -0.05 0.00 2.95 0.00 0.00 42.46 43.02 1x1m s ILE 68 CO 0.08 -0.19 0.07 -1.81 -1.79 0.00 0.00 174.94 171.30 1x1m s ASP 69 N -3.25 1.02 -0.08 4.36 1.01 -0.77 -4.88 116.67 114.08 1x1m s ASP 69 Ca 0.32 -1.31 0.02 0.00 0.71 0.00 0.00 52.55 52.30 1x1m s ASP 69 Cb 0.07 0.18 -0.02 0.00 1.01 0.00 0.00 42.92 44.16 1x1m s ASP 69 CO 0.10 -0.69 -0.14 -0.22 0.21 0.00 0.00 175.17 174.42 1x1m s LEU 70 N -3.23 2.72 -0.11 1.23 2.96 -1.26 -2.09 118.68 118.90 1x1m s LEU 70 Ca 0.33 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1x1m s LEU 70 Cb 0.07 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1x1m s LEU 70 CO 0.10 0.29 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.55 1x1m s ILE 71 N -0.37 2.08 -0.01 6.68 -1.09 0.28 -2.10 121.20 126.67 1x1m s ILE 71 Ca 0.04 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1x1m s ILE 71 Cb -0.12 -1.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.96 1x1m s ILE 71 CO 0.02 0.56 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.80 1x1m s TYR 72 N 0.46 0.26 -1.81 3.97 6.14 0.57 -0.52 117.35 126.42 1x1m s TYR 72 Ca -0.16 -0.02 0.00 0.00 0.64 0.00 0.00 57.07 57.53 1x1m s TYR 72 Cb -0.17 -0.25 0.00 0.00 0.42 0.00 0.00 41.96 41.95 1x1m s TYR 72 CO 0.06 -0.05 0.00 0.00 0.64 0.00 0.00 175.55 176.20 1x1m n GLY 74 N -0.92 0.53 3.35 0.00 0.00 -1.26 -5.02 105.19 101.86 1x1m n GLY 74 Ca -0.23 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1x1m n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x1m s ARG 75 N -3.15 0.51 0.81 1.61 1.70 -0.40 -5.16 118.95 114.88 1x1m s ARG 75 Ca 0.00 0.70 -0.11 0.00 -0.47 0.00 0.00 55.73 55.86 1x1m s ARG 75 Cb 0.00 0.19 0.08 0.00 -0.57 0.00 0.00 34.95 34.65 1x1m s ARG 75 CO 0.00 -0.09 1.11 0.21 -1.08 0.00 0.00 175.30 175.45 1x1m s LYS 76 N 0.59 1.91 -0.13 3.89 2.20 -1.26 -0.32 119.74 126.62 1x1m s LYS 76 Ca -0.03 1.31 0.03 0.00 -0.36 0.00 0.00 55.97 56.92 1x1m s LYS 76 Cb -0.05 -1.85 0.01 0.00 -1.51 0.00 0.00 37.83 34.43 1x1m s LYS 76 CO -0.04 -1.92 -0.21 -0.51 -0.36 0.00 0.00 175.35 172.31 1x1m s LEU 77 N -6.05 2.16 0.89 5.43 1.43 -0.89 -4.81 118.68 116.84 1x1m s LEU 77 Ca 0.63 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1x1m s LEU 77 Cb -0.19 -1.45 0.13 0.00 0.03 0.00 0.00 46.19 44.70 1x1m s LEU 77 CO 0.56 0.10 1.12 -0.54 0.23 0.00 0.00 176.35 177.81 1x1m s LYS 78 N 0.68 1.24 0.00 1.70 1.02 -1.26 -4.73 119.74 118.39 1x1m s LYS 78 Ca -0.10 1.31 0.30 0.00 0.02 0.00 0.00 55.97 57.50 1x1m s LYS 78 Cb -0.16 -1.77 1.49 0.00 -0.52 0.00 0.00 37.83 36.86 1x1m s LYS 78 CO 0.01 -2.40 2.00 -0.40 -0.92 0.00 0.00 175.35 173.65 1x1m n ASP 79 N -4.05 0.35 -1.12 2.83 5.75 -1.26 -3.10 116.55 115.94 1x1m n ASP 79 Ca 0.10 -0.74 0.12 0.00 -0.01 0.00 0.00 54.79 54.26 1x1m n ASP 79 Cb 0.53 -0.08 0.20 0.00 -1.03 0.00 0.00 41.12 40.74 1x1m n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1x1m n ASP 80 N -0.90 3.38 -4.87 -1.12 -0.08 -1.26 -4.35 116.55 107.35 1x1m n ASP 80 Ca 0.18 -1.99 -0.21 0.00 -1.51 0.00 0.00 54.79 51.26 1x1m n ASP 80 Cb 0.22 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.45 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1x1m s GLN 81 N -1.59 2.54 0.31 -0.67 -1.52 -1.18 -5.00 119.66 112.55 1x1m s GLN 81 Ca 0.37 -1.52 0.05 0.00 -1.95 0.00 0.00 55.36 52.31 1x1m s GLN 81 Cb 0.22 -2.37 -0.06 0.00 -0.22 0.00 0.00 33.01 30.58 1x1m s GLN 81 CO 0.32 -0.15 0.00 0.95 -0.25 0.00 0.00 175.29 176.16 1x1m s THR 82 N -2.45 1.46 0.20 -0.19 -4.23 -1.26 -1.12 115.64 108.04 1x1m s THR 82 Ca 0.47 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 1x1m s THR 82 Cb -0.03 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.29 1x1m s THR 82 CO 0.27 -0.14 1.69 -0.07 -0.54 0.00 0.00 174.62 175.84 1x1m h LEU 83 N 2.16 -0.10 -0.31 4.79 -0.00 -1.71 -1.77 115.31 118.36 1x1m h LEU 83 Ca -0.41 0.12 -0.07 0.00 -0.00 0.00 0.00 57.88 57.52 1x1m h LEU 83 Cb 1.24 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 42.07 1x1m h LEU 83 CO 0.70 -0.03 -0.06 -0.78 -0.00 0.00 0.00 178.44 178.26 1x1m h ASP 84 N 0.19 0.60 -0.98 -0.43 3.58 -1.88 0.11 116.42 117.61 1x1m h ASP 84 Ca 0.28 -0.36 0.32 0.00 0.42 0.00 0.00 57.03 57.70 1x1m h ASP 84 Cb 0.42 -0.16 -0.18 0.00 1.72 0.00 0.00 39.33 41.13 1x1m h ASP 84 CO -0.41 0.82 0.27 0.15 -2.88 0.00 0.00 179.24 177.19 1x1m h PHE 85 N 0.38 0.37 0.00 0.28 3.04 -1.71 0.38 116.94 119.68 1x1m h PHE 85 Ca 0.08 0.06 -0.20 0.00 3.98 0.00 0.00 57.97 61.88 1x1m h PHE 85 Cb 0.55 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.02 1x1m h PHE 85 CO 0.05 -0.41 -1.75 0.66 -2.02 0.00 0.00 178.31 174.83 1x1m n TYR 86 N -5.35 0.62 -0.97 0.41 4.01 -1.10 -4.97 117.16 109.81 1x1m n TYR 86 Ca 0.29 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 1x1m n TYR 86 Cb 0.96 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1x1m n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x1m n GLY 87 N 1.47 1.05 3.71 2.72 0.00 0.13 -5.02 105.19 109.25 1x1m n GLY 87 Ca -0.15 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1x1m n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x1m n ILE 88 N -2.59 0.08 -3.54 -0.61 5.41 -0.44 -4.99 119.36 112.68 1x1m n ILE 88 Ca 0.00 -0.01 -0.31 0.00 1.00 0.00 0.00 62.75 63.43 1x1m n ILE 88 Cb 0.22 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.12 1x1m n ILE 88 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1x1m s GLN 89 N 1.49 3.67 0.00 0.38 -1.52 -1.26 -4.84 119.66 117.58 1x1m s GLN 89 Ca 0.77 0.02 0.11 0.00 -1.95 0.00 0.00 55.36 54.31 1x1m s GLN 89 Cb -0.51 -2.75 0.64 0.00 -0.22 0.00 0.00 33.01 30.17 1x1m s GLN 89 CO 0.34 0.37 1.08 -0.35 -0.25 0.00 0.00 175.29 176.48 1x1m n PRO 90 N -0.21 0.49 -0.02 2.91 -0.04 -1.26 -2.05 135.00 134.82 1x1m n PRO 90 Ca -0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1x1m n PRO 90 Cb 0.52 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 1x1m n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1m n GLY 91 N -0.02 2.44 4.00 0.55 0.00 -1.26 -4.23 105.19 106.67 1x1m n GLY 91 Ca 0.08 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1x1m n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1m s SER 92 N -0.89 5.17 -0.01 1.61 0.01 -0.87 -4.93 113.70 113.79 1x1m s SER 92 Ca 0.03 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.00 1x1m s SER 92 Cb 0.02 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1x1m s SER 92 CO 0.02 -1.21 -0.20 -0.89 0.41 0.00 0.00 173.24 171.37 1x1m s THR 93 N -2.70 1.59 -0.05 1.44 2.01 -1.26 -2.87 115.64 113.80 1x1m s THR 93 Ca 0.59 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1x1m s THR 93 Cb -0.08 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1x1m s THR 93 CO 0.38 0.45 -0.17 0.68 -0.69 0.00 0.00 174.62 175.27 1x1m s VAL 94 N -0.48 2.86 -0.12 3.82 -7.23 -1.13 -4.69 120.40 113.43 1x1m s VAL 94 Ca 0.08 -0.80 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1x1m s VAL 94 Cb -0.08 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1x1m s VAL 94 CO -0.01 0.59 0.01 -1.00 -0.31 0.00 0.00 175.10 174.38 1x1m s HIS 95 N -0.63 3.17 -0.08 2.82 3.76 0.33 -1.93 115.29 122.73 1x1m s HIS 95 Ca 0.10 0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 54.96 1x1m s HIS 95 Cb -0.11 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.63 1x1m s HIS 95 CO 0.01 0.29 0.28 0.08 -0.85 0.00 0.00 174.74 174.55 1x1m s VAL 96 N -0.32 5.27 -0.12 -0.90 1.01 -0.85 0.10 120.40 124.59 1x1m s VAL 96 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1x1m s VAL 96 Cb -0.12 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1x1m s VAL 96 CO 0.02 0.56 -0.10 -0.22 0.00 0.00 0.00 175.10 175.36 1x1m s LEU 97 N -0.77 1.38 0.21 3.92 1.98 -0.89 -1.65 118.68 122.86 1x1m s LEU 97 Ca 0.19 -0.36 -0.30 0.00 -2.89 0.00 0.00 54.13 50.77 1x1m s LEU 97 Cb -0.14 -0.95 -0.09 0.00 0.66 0.00 0.00 46.19 45.67 1x1m s LEU 97 CO 0.08 -0.09 1.36 -0.13 -1.89 0.00 0.00 176.35 175.68 1x1m s ARG 98 N 1.55 4.35 0.05 1.98 0.52 -1.26 -1.85 118.95 124.28 1x1m s ARG 98 Ca 0.03 2.13 -0.31 0.00 -0.52 0.00 0.00 55.73 57.06 1x1m s ARG 98 Cb -0.13 -3.17 -0.18 0.00 0.52 0.00 0.00 34.95 31.99 1x1m s ARG 98 CO -0.08 -0.32 1.45 0.87 0.02 0.00 0.00 175.30 177.24 1x1m h LYS 99 N 5.39 -0.88 -6.69 3.54 1.57 -1.79 -3.47 116.57 114.24 1x1m h LYS 99 Ca -0.45 0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 57.85 1x1m h LYS 99 Cb 1.21 0.20 -0.14 0.00 0.08 0.00 0.00 32.23 33.58 1x1m h LYS 99 CO 0.78 -0.56 -0.88 0.45 -0.57 0.00 0.00 179.45 178.67 1x1m n SER 100 N -5.44 -1.26 -3.95 0.86 2.88 -1.26 -4.95 113.62 100.50 1x1m n SER 100 Ca -0.13 -1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 56.27 1x1m n SER 100 Cb 0.38 -2.70 -0.09 0.00 -0.75 0.00 0.00 64.21 61.05 1x1m n SER 100 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1x1m s TRP 101 N -3.76 0.25 0.00 0.66 -0.00 -1.26 -5.08 118.94 109.75 1x1m s TRP 101 Ca 0.29 -0.60 0.00 0.00 -0.00 0.00 0.00 56.10 55.79 1x1m s TRP 101 Cb -0.16 -0.18 0.00 0.00 -0.00 0.00 0.00 33.47 33.13 1x1m s TRP 101 CO 0.92 -0.37 0.50 0.43 -0.00 0.00 0.00 176.95 178.43 1x1m n SER 102 N 0.65 0.00 0.00 5.86 7.64 -1.26 -4.95 113.62 121.55 1x1m n SER 102 Ca -0.18 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1x1m n SER 102 Cb 0.59 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1x1m n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1m n GLY 103 N -0.92 -0.75 0.00 0.23 0.00 -1.26 -4.78 105.19 97.72 1x1m n GLY 103 Ca 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 44.89 1x1m n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x1m n PRO 104 N 1.14 0.25 -1.20 1.61 -0.04 -1.26 -4.87 135.00 130.63 1x1m n PRO 104 Ca 0.00 0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 1x1m n PRO 104 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1x1m n PRO 104 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x1m n SER 105 N -1.25 -3.75 -2.22 3.54 7.64 -1.26 -4.90 113.62 111.42 1x1m n SER 105 Ca 0.08 0.54 -0.27 0.00 1.01 0.00 0.00 58.87 60.22 1x1m n SER 105 Cb 0.11 -0.89 0.03 0.00 -1.01 0.00 0.00 64.21 62.44 1x1m n SER 105 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x1m n SER 106 N 2.26 5.50 0.00 6.43 2.88 -1.26 -5.23 113.62 124.20 1x1m n SER 106 Ca 0.06 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.85 1x1m n SER 106 Cb 0.50 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1x1m n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42