#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 1.57 -0.42 1.61 0.01 -1.26 -5.09 113.70 110.12 1x1m s SER 2 Ca 0.00 -0.47 -0.28 0.00 1.31 0.00 0.00 55.95 56.51 1x1m s SER 2 Cb 0.00 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 1x1m s SER 2 CO 0.00 0.00 1.90 -0.55 0.41 0.00 0.00 173.24 175.00 1x1m s SER 3 N -1.22 5.56 0.00 2.44 0.15 -1.26 -4.15 113.70 115.22 1x1m s SER 3 Ca 0.00 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1x1m s SER 3 Cb -0.08 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1x1m s SER 3 CO 0.01 -2.02 0.00 0.61 1.20 0.00 0.00 173.24 173.04 1x1m n GLY 4 N 5.57 -0.84 3.49 9.45 0.00 -1.26 -5.15 105.19 116.45 1x1m n GLY 4 Ca 0.24 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1x1m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1m s SER 5 N -0.04 -0.52 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.06 1x1m s SER 5 Ca 0.00 0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.54 1x1m s SER 5 Cb 0.00 0.49 0.15 0.00 0.10 0.00 0.00 66.02 66.77 1x1m s SER 5 CO 0.00 -0.70 0.97 -0.55 0.98 0.00 0.00 173.24 173.94 1x1m s SER 6 N -2.01 -0.55 -0.31 7.02 0.15 -1.26 -5.11 113.70 111.63 1x1m s SER 6 Ca -0.02 0.83 -0.03 0.00 0.70 0.00 0.00 55.95 57.43 1x1m s SER 6 Cb -0.01 1.40 0.11 0.00 -1.71 0.00 0.00 66.02 65.81 1x1m s SER 6 CO -0.03 -0.12 0.15 -0.83 1.20 0.00 0.00 173.24 173.60 1x1m s GLY 7 N 1.77 0.63 -0.05 9.45 0.00 -1.26 -5.11 107.32 112.76 1x1m s GLY 7 Ca -0.07 -1.34 -0.02 0.00 0.00 0.00 0.00 44.72 43.30 1x1m s GLY 7 CO -0.16 2.04 0.08 1.06 0.00 0.00 0.00 173.10 176.13 1x1m s MET 8 N 1.78 -0.01 0.22 2.90 1.00 -1.26 -5.15 119.30 118.79 1x1m s MET 8 Ca 0.11 0.34 0.03 0.00 0.00 0.00 0.00 55.69 56.17 1x1m s MET 8 Cb -0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 34.83 34.33 1x1m s MET 8 CO -0.26 -0.23 0.10 -1.13 0.00 0.00 0.00 175.02 173.49 1x1m n SER 9 N 4.67 0.84 -4.41 3.03 3.41 -1.26 -5.12 113.62 114.78 1x1m n SER 9 Ca -0.17 -2.24 -0.43 0.00 -0.26 0.00 0.00 58.87 55.77 1x1m n SER 9 Cb 0.50 0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 65.01 1x1m n SER 9 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1x1m s LEU 10 N 0.00 5.23 0.29 1.04 2.34 -1.26 -5.07 118.68 121.25 1x1m s LEU 10 Ca 0.14 -1.11 0.00 0.00 0.06 0.00 0.00 54.13 53.22 1x1m s LEU 10 Cb 0.01 -2.13 -0.04 0.00 -0.56 0.00 0.00 46.19 43.47 1x1m s LEU 10 CO 0.10 -0.51 0.48 -0.55 -1.06 0.00 0.00 176.35 174.80 1x1m s SER 11 N 2.01 6.34 -0.21 1.48 0.15 -1.26 -5.04 113.70 117.16 1x1m s SER 11 Ca 0.04 0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.90 1x1m s SER 11 Cb -0.21 -2.01 -0.17 0.00 -1.71 0.00 0.00 66.02 61.91 1x1m s SER 11 CO 0.08 -0.18 0.14 0.47 1.20 0.00 0.00 173.24 174.94 1x1m n ASP 12 N -1.33 1.86 -4.67 5.45 8.00 -1.26 -4.86 116.55 119.74 1x1m n ASP 12 Ca -0.05 0.43 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 1x1m n ASP 12 Cb 0.55 -0.95 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.37 3.42 0.13 1.24 -0.11 -1.26 -5.04 118.94 114.94 1x1m s TRP 13 Ca -0.29 1.33 0.07 0.00 1.22 0.00 0.00 56.10 58.44 1x1m s TRP 13 Cb 0.06 -3.08 -0.04 0.00 -1.50 0.00 0.00 33.47 28.92 1x1m s TRP 13 CO 0.56 -0.28 -0.17 -3.38 -4.62 0.00 0.00 176.95 169.06 1x1m s HIS 14 N 2.31 1.59 0.03 5.86 -3.43 -1.26 -4.11 115.29 116.27 1x1m s HIS 14 Ca 0.40 -0.49 -0.04 0.00 -0.80 0.00 0.00 55.06 54.14 1x1m s HIS 14 Cb -0.17 -0.83 -0.01 0.00 -1.43 0.00 0.00 32.58 30.14 1x1m s HIS 14 CO 0.12 0.21 0.05 -1.17 -2.00 0.00 0.00 174.74 171.95 1x1m s LEU 15 N -2.34 1.96 0.18 5.38 2.96 -0.92 -4.30 118.68 121.60 1x1m s LEU 15 Ca 0.09 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 1x1m s LEU 15 Cb -0.07 0.42 -0.06 0.00 0.50 0.00 0.00 46.19 46.98 1x1m s LEU 15 CO 0.04 -0.42 0.46 0.00 -1.32 0.00 0.00 176.35 175.11 1x1m s ALA 16 N -2.13 3.68 -0.04 5.97 0.00 -1.13 -1.33 121.76 126.77 1x1m s ALA 16 Ca -0.09 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1x1m s ALA 16 Cb -0.04 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1x1m s ALA 16 CO -0.03 0.59 -0.10 0.08 0.00 0.00 0.00 175.76 176.30 1x1m s VAL 17 N -1.72 0.93 0.03 0.00 1.01 0.17 -2.85 120.40 117.97 1x1m s VAL 17 Ca 0.44 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1x1m s VAL 17 Cb -0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1x1m s VAL 17 CO 0.23 0.30 -0.09 -0.54 0.00 0.00 0.00 175.10 174.99 1x1m s LYS 18 N 0.46 0.61 -0.20 2.72 -0.14 -0.69 -2.00 119.74 120.50 1x1m s LYS 18 Ca -0.09 -0.60 -0.15 0.00 -1.36 0.00 0.00 55.97 53.78 1x1m s LYS 18 Cb -0.12 -0.51 -0.04 0.00 -1.68 0.00 0.00 37.83 35.47 1x1m s LYS 18 CO 0.02 0.12 0.37 -1.17 -0.76 0.00 0.00 175.35 173.92 1x1m s LEU 19 N -1.04 4.17 0.32 3.17 2.96 -1.26 -0.90 118.68 126.10 1x1m s LEU 19 Ca -0.03 0.49 0.26 0.00 -0.22 0.00 0.00 54.13 54.63 1x1m s LEU 19 Cb -0.07 -2.47 0.82 0.00 0.50 0.00 0.00 46.19 44.98 1x1m s LEU 19 CO 0.00 -0.04 1.75 0.00 -1.32 0.00 0.00 176.35 176.75 1x1m h ALA 20 N 7.26 1.00 0.00 5.97 0.00 -1.33 -3.09 119.26 129.07 1x1m h ALA 20 Ca -0.37 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 1x1m h ALA 20 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1x1m h ALA 20 CO 0.72 0.00 -1.42 0.22 0.00 0.00 0.00 179.25 178.77 1x1m h ASP 21 N 0.00 0.00 -3.02 0.00 3.58 -1.93 -3.42 116.42 111.63 1x1m h ASP 21 Ca 0.00 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.85 1x1m h ASP 21 Cb 0.68 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.33 1x1m h ASP 21 CO 0.00 0.62 -0.78 -1.10 -2.88 0.00 0.00 179.24 175.09 1x1m s GLN 22 N -2.89 1.30 0.00 0.28 -0.21 -1.17 -4.95 119.66 112.02 1x1m s GLN 22 Ca -0.03 -2.18 0.15 0.00 0.02 0.00 0.00 55.36 53.32 1x1m s GLN 22 Cb 0.09 -2.16 0.71 0.00 1.00 0.00 0.00 33.01 32.64 1x1m s GLN 22 CO 0.81 -1.25 1.42 -0.35 -2.12 0.00 0.00 175.29 173.80 1x1m n PRO 23 N 3.15 0.15 -0.03 2.91 -0.04 -1.24 -2.28 135.00 137.62 1x1m n PRO 23 Ca 0.16 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.79 1x1m n PRO 23 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.34 0.29 -4.67 1.53 4.77 -1.26 -4.97 117.00 111.35 1x1m n LEU 24 Ca 0.06 0.13 -0.38 0.00 -0.03 0.00 0.00 56.01 55.79 1x1m n LEU 24 Cb 0.13 0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1x1m n LEU 24 CO 0.12 0.26 0.74 0.00 -1.33 0.00 0.00 177.39 177.18 1x1m n ALA 25 N -2.51 0.73 -1.87 -1.18 0.00 -0.97 -4.94 120.51 109.78 1x1m n ALA 25 Ca -0.18 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1x1m n ALA 25 Cb 0.91 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 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 -3.00 4.43 0.77 0.00 0.04 -1.26 -4.92 135.00 131.07 1x1m s PRO 26 Ca 0.78 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.73 1x1m s PRO 26 Cb -0.40 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.05 1x1m s PRO 26 CO 0.45 -0.12 1.21 0.21 0.04 0.00 0.00 177.00 178.79 1x1m s LYS 27 N -1.01 1.87 -0.04 4.56 2.20 -1.26 -4.96 119.74 121.09 1x1m s LYS 27 Ca 0.51 1.78 0.03 0.00 -0.36 0.00 0.00 55.97 57.93 1x1m s LYS 27 Cb -0.37 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 1x1m s LYS 27 CO 0.44 -2.04 -0.12 -1.12 -0.36 0.00 0.00 175.35 172.15 1x1m s SER 28 N -2.07 1.61 -0.10 1.43 0.01 -0.85 -4.98 113.70 108.75 1x1m s SER 28 Ca 0.74 -0.26 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1x1m s SER 28 Cb -0.29 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 1x1m s SER 28 CO 0.48 0.08 0.48 -0.63 0.41 0.00 0.00 173.24 174.06 1x1m s ILE 29 N 0.27 5.15 -0.09 1.44 -1.09 -1.26 -0.65 121.20 124.96 1x1m s ILE 29 Ca -0.06 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1x1m s ILE 29 Cb -0.11 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1x1m s ILE 29 CO 0.02 0.35 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.77 1x1m s LEU 30 N 0.42 3.00 -0.41 2.97 2.96 -0.44 -4.99 118.68 122.19 1x1m s LEU 30 Ca 0.26 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1x1m s LEU 30 Cb -0.15 -1.66 0.11 0.00 0.50 0.00 0.00 46.19 44.98 1x1m s LEU 30 CO 0.11 0.28 0.17 -1.10 -1.32 0.00 0.00 176.35 174.49 1x1m s GLN 31 N -0.34 1.84 0.55 1.98 -0.21 -1.26 -2.17 119.66 120.06 1x1m s GLN 31 Ca 0.04 -1.98 -0.18 0.00 0.02 0.00 0.00 55.36 53.26 1x1m s GLN 31 Cb -0.13 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.40 1x1m s GLN 31 CO 0.02 -1.03 1.07 -0.48 -2.12 0.00 0.00 175.29 172.75 1x1m s LEU 32 N 0.80 3.66 -0.21 2.90 0.05 -1.26 -4.96 118.68 119.66 1x1m s LEU 32 Ca 0.11 1.94 -0.29 0.00 0.05 0.00 0.00 54.13 55.94 1x1m s LEU 32 Cb -0.21 -4.55 -0.03 0.00 -2.05 0.00 0.00 46.19 39.35 1x1m s LEU 32 CO -0.05 -1.08 1.60 -2.16 -0.55 0.00 0.00 176.35 174.11 1x1m s PRO 33 N -3.64 3.83 1.02 1.48 0.04 -1.26 -4.84 135.00 131.63 1x1m s PRO 33 Ca 0.67 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 63.19 1x1m s PRO 33 Cb -0.18 -4.02 -0.08 0.00 0.04 0.00 0.00 34.50 30.25 1x1m s PRO 33 CO 0.29 -1.25 -0.71 -1.91 0.04 0.00 0.00 177.00 173.46 1x1m n GLU 34 N 7.60 -0.40 -4.34 4.56 2.13 -1.26 -5.00 120.64 123.92 1x1m n GLU 34 Ca 0.19 -0.11 -0.26 0.00 0.66 0.00 0.00 57.16 57.64 1x1m n GLU 34 Cb 0.45 -1.29 -0.13 0.00 0.27 0.00 0.00 31.44 30.75 1x1m n GLU 34 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1x1m s THR 35 N -2.11 1.94 0.51 6.31 -1.32 -1.26 -5.00 115.64 114.70 1x1m s THR 35 Ca 0.45 -1.62 0.40 0.00 -1.21 0.00 0.00 61.69 59.71 1x1m s THR 35 Cb -0.07 -1.74 0.61 0.00 -1.51 0.00 0.00 72.50 69.80 1x1m s THR 35 CO 0.71 0.01 1.65 1.05 -2.21 0.00 0.00 174.62 175.83 1x1m h GLU 36 N 4.02 0.04 -7.14 7.08 4.11 -2.05 -3.40 114.58 117.24 1x1m h GLU 36 Ca -0.48 -0.00 -0.42 0.00 0.07 0.00 0.00 59.36 58.53 1x1m h GLU 36 Cb 1.18 -0.01 0.21 0.00 0.50 0.00 0.00 28.75 30.62 1x1m h GLU 36 CO 0.39 0.03 -0.02 -0.51 0.07 0.00 0.00 179.01 178.97 1x1m s LEU 37 N -8.53 0.15 0.00 3.06 2.01 -1.26 -5.03 118.68 109.07 1x1m s LEU 37 Ca -0.06 1.18 0.00 0.00 0.01 0.00 0.00 54.13 55.27 1x1m s LEU 37 Cb 0.27 -2.92 0.00 0.00 0.01 0.00 0.00 46.19 43.55 1x1m s LEU 37 CO 0.85 -4.56 0.00 0.61 1.01 0.00 0.00 176.35 174.26 1x1m n GLY 38 N 0.75 -3.22 0.02 -3.19 0.00 -1.26 -4.98 105.19 93.31 1x1m n GLY 38 Ca 0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 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 2.27 -0.92 1.61 0.00 -1.26 -4.78 120.64 117.56 1x1m n GLU 39 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 57.16 56.78 1x1m n GLU 39 Cb 0.00 -1.16 0.07 0.00 0.00 0.00 0.00 31.44 30.35 1x1m n GLU 39 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1x1m n TYR 40 N -2.11 -2.35 -1.12 -1.84 4.11 -1.26 -4.40 117.16 108.21 1x1m n TYR 40 Ca -0.08 0.35 -0.42 0.00 -0.00 0.00 0.00 57.90 57.75 1x1m n TYR 40 Cb 0.57 -1.47 -0.11 0.00 -0.00 0.00 0.00 39.34 38.33 1x1m n TYR 40 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1x1m n SER 41 N 2.05 0.44 -0.26 9.48 3.41 -1.26 -4.69 113.62 122.79 1x1m n SER 41 Ca -0.01 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 1x1m n SER 41 Cb 0.66 -0.74 0.26 0.00 -0.26 0.00 0.00 64.21 64.13 1x1m n SER 41 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x1m n LEU 42 N 7.27 -0.03 -3.53 1.04 4.77 -1.26 -4.78 117.00 120.47 1x1m n LEU 42 Ca 0.49 1.28 -0.23 0.00 -0.03 0.00 0.00 56.01 57.52 1x1m n LEU 42 Cb -0.01 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1x1m n LEU 42 CO 0.74 -1.32 -0.22 0.61 -1.33 0.00 0.00 177.39 175.87 1x1m n GLY 43 N -1.35 -0.91 0.00 -0.72 0.00 -1.26 -4.62 105.19 96.33 1x1m n GLY 43 Ca 0.19 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -1.26 0.32 3.65 -0.02 0.00 -1.26 -4.92 105.19 101.70 1x1m n GLY 44 Ca -0.25 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 1.32 -4.04 1.61 4.02 -1.26 -4.85 117.16 113.96 1x1m n TYR 45 Ca 0.00 0.45 -0.36 0.00 -0.01 0.00 0.00 57.90 57.99 1x1m n TYR 45 Cb 0.00 -2.22 -0.08 0.00 -0.02 0.00 0.00 39.34 37.02 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x1m s SER 46 N -1.08 5.85 0.26 7.72 1.04 -1.26 -2.64 113.70 123.59 1x1m s SER 46 Ca 0.73 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.34 1x1m s SER 46 Cb -0.44 -1.88 0.46 0.00 0.10 0.00 0.00 66.02 64.26 1x1m s SER 46 CO 0.49 0.32 1.60 0.40 0.98 0.00 0.00 173.24 177.02 1x1m h ILE 47 N 4.34 0.18 -0.99 -1.02 1.08 -1.76 0.46 117.51 119.80 1x1m h ILE 47 Ca -0.47 -0.01 0.17 0.00 -0.39 0.00 0.00 64.86 64.16 1x1m h ILE 47 Cb 1.20 0.14 -0.17 0.00 -3.07 0.00 0.00 36.82 34.92 1x1m h ILE 47 CO 0.62 0.01 -0.32 -0.24 -0.69 0.00 0.00 178.15 177.53 1x1m n SER 48 N -5.49 -0.50 0.03 1.72 2.88 -1.26 -0.72 113.62 110.28 1x1m n SER 48 Ca 0.15 1.71 -0.15 0.00 -1.33 0.00 0.00 58.87 59.24 1x1m n SER 48 Cb 0.50 -0.45 -0.10 0.00 -0.75 0.00 0.00 64.21 63.41 1x1m n SER 48 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1x1m h PHE 49 N 0.00 -1.57 -0.42 0.66 3.57 -1.28 -2.55 116.94 115.35 1x1m h PHE 49 Ca 0.41 0.05 0.06 0.00 3.53 0.00 0.00 57.97 62.02 1x1m h PHE 49 Cb 0.65 0.69 -0.09 0.00 2.79 0.00 0.00 35.95 40.00 1x1m h PHE 49 CO -0.81 -0.55 -0.50 -0.07 -2.23 0.00 0.00 178.31 174.14 1x1m h LEU 50 N -0.63 -1.69 -1.08 0.59 3.38 -0.95 0.57 115.31 115.50 1x1m h LEU 50 Ca 0.02 0.24 0.23 0.00 0.09 0.00 0.00 57.88 58.45 1x1m h LEU 50 Cb 0.69 0.71 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 1x1m h LEU 50 CO -0.38 -0.39 1.06 0.11 0.09 0.00 0.00 178.44 178.93 1x1m h LYS 51 N -0.36 0.00 0.00 1.13 1.57 -0.95 0.52 116.57 118.48 1x1m h LYS 51 Ca 0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1x1m h LYS 51 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1x1m h LYS 51 CO -0.60 0.00 -0.60 1.96 -0.57 0.00 0.00 179.45 179.65 1x1m h GLN 52 N 0.00 0.00 0.39 3.15 4.20 0.36 -3.04 115.11 120.17 1x1m h GLN 52 Ca 0.37 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.07 1x1m h GLN 52 Cb 2.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 30.24 1x1m h GLN 52 CO -0.00 1.00 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.70 1x1m h LEU 53 N -0.99 -1.06 -0.33 1.46 4.07 0.63 -0.29 115.31 118.80 1x1m h LEU 53 Ca -0.16 0.09 0.05 0.00 0.08 0.00 0.00 57.88 57.94 1x1m h LEU 53 Cb 1.15 0.36 -0.04 0.00 1.08 0.00 0.00 40.66 43.20 1x1m h LEU 53 CO -0.10 -0.54 0.06 0.40 -1.08 0.00 0.00 178.44 177.18 1x1m h ILE 54 N -0.80 0.83 -0.27 1.22 5.03 -1.43 -0.75 117.51 121.33 1x1m h ILE 54 Ca -0.03 -0.06 0.08 0.00 -0.12 0.00 0.00 64.86 64.73 1x1m h ILE 54 Cb 0.72 0.64 -0.01 0.00 -3.03 0.00 0.00 36.82 35.14 1x1m h ILE 54 CO -0.07 0.03 0.20 0.00 -0.68 0.00 0.00 178.15 177.64 1x1m h ALA 55 N 1.25 2.21 0.00 1.87 0.00 -1.38 0.26 119.26 123.48 1x1m h ALA 55 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1x1m h ALA 55 Cb 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x1m h ALA 55 CO -0.21 -0.34 -0.28 0.78 0.00 0.00 0.00 179.25 179.20 1x1m h GLY 56 N 0.00 0.00 0.23 0.00 0.00 0.48 -2.86 103.07 100.93 1x1m h GLY 56 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.08 1x1m h GLY 56 CO -0.00 0.00 -2.26 0.28 0.00 0.00 0.00 176.54 174.56 1x1m n LYS 57 N -3.40 0.69 0.00 4.80 4.76 0.06 -4.13 118.16 120.93 1x1m n LYS 57 Ca 0.00 0.21 0.08 0.00 -2.87 0.00 0.00 58.31 55.74 1x1m n LYS 57 Cb 0.48 -1.60 0.49 0.00 -1.84 0.00 0.00 35.03 32.56 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 -3.43 0.00 -0.27 -0.35 4.77 0.71 -3.96 117.00 114.46 1x1m n LEU 58 Ca -0.41 0.02 0.23 0.00 -0.03 0.00 0.00 56.01 55.83 1x1m n LEU 58 Cb 1.00 -0.02 0.39 0.00 -2.33 0.00 0.00 43.42 42.46 1x1m n LEU 58 CO 0.31 -0.01 0.71 0.00 -1.33 0.00 0.00 177.39 177.07 1x1m n GLN 59 N -1.02 -0.02 -0.29 3.23 10.64 -1.08 0.88 117.38 129.71 1x1m n GLN 59 Ca 0.12 0.75 0.00 0.00 -1.83 0.00 0.00 57.00 56.04 1x1m n GLN 59 Cb 0.06 -1.45 0.07 0.00 -0.86 0.00 0.00 30.24 28.06 1x1m n GLN 59 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1x1m h GLU 60 N 0.00 -0.04 0.00 2.61 4.11 -1.91 -3.22 114.58 116.14 1x1m h GLU 60 Ca 0.52 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.80 1x1m h GLU 60 Cb 1.63 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 1x1m h GLU 60 CO -0.29 -0.02 -1.54 0.43 0.07 0.00 0.00 179.01 177.65 1x1m n SER 61 N -5.50 3.14 -4.64 3.06 7.64 0.25 -4.96 113.62 112.62 1x1m n SER 61 Ca 0.10 -0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.53 1x1m n SER 61 Cb 0.40 0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 63.97 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 -2.19 4.41 -0.02 0.44 1.01 0.10 -4.94 120.40 119.21 1x1m s VAL 62 Ca -0.07 1.61 -0.25 0.00 0.00 0.00 0.00 61.98 63.27 1x1m s VAL 62 Cb 0.03 -4.35 -0.20 0.00 0.00 0.00 0.00 36.38 31.86 1x1m s VAL 62 CO 0.29 -0.49 1.23 1.55 0.00 0.00 0.00 175.10 177.68 1x1m h PRO 63 N 8.40 -0.06 -3.35 2.72 0.13 -1.87 -3.31 132.00 134.67 1x1m h PRO 63 Ca -0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.83 1x1m h PRO 63 Cb 1.07 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 1x1m h PRO 63 CO 1.03 0.40 -0.22 -0.51 -0.23 0.00 0.00 178.00 178.48 1x1m s ASP 64 N -5.61 -0.13 0.54 1.44 1.01 -1.26 -5.01 116.67 107.66 1x1m s ASP 64 Ca -0.15 -0.25 0.33 0.00 0.71 0.00 0.00 52.55 53.19 1x1m s ASP 64 Cb 0.02 0.38 1.37 0.00 1.01 0.00 0.00 42.92 45.70 1x1m s ASP 64 CO 0.64 -0.68 1.99 1.55 0.21 0.00 0.00 175.17 178.88 1x1m h PRO 65 N 2.99 0.00 0.00 8.23 0.13 -1.88 -2.83 132.00 138.64 1x1m h PRO 65 Ca -0.32 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.59 1x1m h PRO 65 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x1m h PRO 65 CO 0.47 0.03 -1.29 0.93 -0.23 0.00 0.00 178.00 177.91 1x1m h GLU 66 N 0.00 0.00 -0.15 0.86 5.08 -1.96 -3.28 114.58 115.13 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 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x1m h GLU 66 CO 0.00 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 1x1m n LEU 67 N -3.10 0.91 -3.99 1.33 4.77 -1.07 -4.83 117.00 111.02 1x1m n LEU 67 Ca -0.08 -0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 55.37 1x1m n LEU 67 Cb 0.92 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.81 1x1m n LEU 67 CO 0.44 0.22 -0.32 0.27 -1.33 0.00 0.00 177.39 176.67 1x1m s ILE 68 N -1.80 0.14 0.45 -0.08 -5.25 -1.20 -1.35 121.20 112.11 1x1m s ILE 68 Ca 0.16 -1.15 0.05 0.00 -0.99 0.00 0.00 60.65 58.72 1x1m s ILE 68 Cb 0.08 -0.69 -0.04 0.00 2.95 0.00 0.00 42.46 44.76 1x1m s ILE 68 CO 0.12 -0.63 0.08 1.51 -1.79 0.00 0.00 174.94 174.23 1x1m s ASP 69 N -1.93 4.15 -0.11 4.36 1.47 -0.57 -4.88 116.67 119.16 1x1m s ASP 69 Ca -0.08 -1.37 0.00 0.00 1.18 0.00 0.00 52.55 52.28 1x1m s ASP 69 Cb -0.04 -0.07 -0.02 0.00 -0.34 0.00 0.00 42.92 42.45 1x1m s ASP 69 CO -0.04 -0.65 -0.13 -0.22 0.68 0.00 0.00 175.17 174.81 1x1m s LEU 70 N -3.86 2.76 -0.12 2.11 2.96 -1.26 -1.80 118.68 119.48 1x1m s LEU 70 Ca 0.28 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1x1m s LEU 70 Cb 0.05 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1x1m s LEU 70 CO 0.15 0.20 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.54 1x1m s ILE 71 N 0.12 1.91 -0.01 6.68 -1.09 0.41 -1.14 121.20 128.07 1x1m s ILE 71 Ca -0.06 -0.90 -0.03 0.00 -2.23 0.00 0.00 60.65 57.42 1x1m s ILE 71 Cb -0.15 -1.68 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1x1m s ILE 71 CO 0.05 0.52 0.07 -0.47 -1.23 0.00 0.00 174.94 173.88 1x1m s TYR 72 N 0.66 0.02 -1.30 3.97 6.14 -0.56 -0.92 117.35 125.36 1x1m s TYR 72 Ca -0.12 -0.04 -0.07 0.00 0.64 0.00 0.00 57.07 57.48 1x1m s TYR 72 Cb -0.16 -0.04 0.05 0.00 0.42 0.00 0.00 41.96 42.23 1x1m s TYR 72 CO 0.02 -0.14 0.45 0.00 0.64 0.00 0.00 175.55 176.52 1x1m n GLY 74 N -1.19 -0.26 3.64 0.00 0.00 -1.26 -4.99 105.19 101.13 1x1m n GLY 74 Ca -0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.17 0.70 0.67 1.61 1.70 0.66 -5.15 118.95 113.97 1x1m s ARG 75 Ca 0.14 1.22 -0.17 0.00 -0.47 0.00 0.00 55.73 56.44 1x1m s ARG 75 Cb -0.06 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 1x1m s ARG 75 CO 0.17 -0.15 0.91 1.17 -1.08 0.00 0.00 175.30 176.32 1x1m n LYS 76 N 4.31 0.65 -3.85 3.89 4.81 -1.26 -1.50 118.16 125.22 1x1m n LYS 76 Ca -0.20 0.27 -0.36 0.00 -0.87 0.00 0.00 58.31 57.15 1x1m n LYS 76 Cb 0.59 -2.14 -0.13 0.00 0.02 0.00 0.00 35.03 33.36 1x1m n LYS 76 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x1m s LEU 77 N -2.24 3.94 0.96 3.14 1.43 -0.29 -4.80 118.68 120.81 1x1m s LEU 77 Ca 0.74 -1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1x1m s LEU 77 Cb -0.38 -1.77 0.17 0.00 0.03 0.00 0.00 46.19 44.24 1x1m s LEU 77 CO 0.49 -0.26 1.10 -0.54 0.23 0.00 0.00 176.35 177.38 1x1m s LYS 78 N 1.34 0.69 0.00 1.70 1.02 -1.26 -4.68 119.74 118.55 1x1m s LYS 78 Ca -0.03 1.22 0.24 0.00 0.02 0.00 0.00 55.97 57.42 1x1m s LYS 78 Cb -0.19 -1.71 1.04 0.00 -0.52 0.00 0.00 37.83 36.45 1x1m s LYS 78 CO 0.00 -2.75 1.72 -0.40 -0.92 0.00 0.00 175.35 173.00 1x1m n ASP 79 N -4.28 1.10 -0.50 2.83 5.75 -1.26 -3.36 116.55 116.82 1x1m n ASP 79 Ca 0.09 -1.51 0.10 0.00 -0.01 0.00 0.00 54.79 53.46 1x1m n ASP 79 Cb 0.53 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 -0.09 2.02 -4.31 -1.12 2.03 -1.26 -4.40 116.55 109.42 1x1m n ASP 80 Ca 0.17 -1.51 -0.17 0.00 0.52 0.00 0.00 54.79 53.80 1x1m n ASP 80 Cb 0.26 0.44 0.07 0.00 -0.72 0.00 0.00 41.12 41.17 1x1m n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x1m n GLN 81 N 0.07 0.45 -4.18 -0.67 1.13 -1.21 -5.03 117.38 107.94 1x1m n GLN 81 Ca 0.09 -2.46 -0.11 0.00 -1.94 0.00 0.00 57.00 52.59 1x1m n GLN 81 Cb 0.45 -0.32 -0.10 0.00 0.11 0.00 0.00 30.24 30.38 1x1m n GLN 81 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1x1m s THR 82 N -2.15 0.32 0.30 5.09 -4.23 -1.26 -3.19 115.64 110.53 1x1m s THR 82 Ca 0.52 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1x1m s THR 82 Cb -0.04 -2.02 0.30 0.00 1.34 0.00 0.00 72.50 72.08 1x1m s THR 82 CO 0.33 -0.52 1.78 -0.07 -0.54 0.00 0.00 174.62 175.61 1x1m h LEU 83 N 2.83 0.79 0.02 4.79 -0.00 -1.83 -1.82 115.31 120.09 1x1m h LEU 83 Ca -0.36 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1x1m h LEU 83 Cb 1.20 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1x1m h LEU 83 CO 0.61 0.29 -0.01 -0.78 -0.00 0.00 0.00 178.44 178.55 1x1m h ASP 84 N 0.78 -0.02 -1.35 -0.43 1.82 -1.87 0.37 116.42 115.72 1x1m h ASP 84 Ca 0.57 -0.56 0.42 0.00 -0.39 0.00 0.00 57.03 57.07 1x1m h ASP 84 Cb 0.87 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.78 1x1m h ASP 84 CO -0.37 0.56 0.90 0.15 -1.61 0.00 0.00 179.24 178.87 1x1m h PHE 85 N -0.61 0.44 0.00 0.28 3.04 -1.74 0.46 116.94 118.81 1x1m h PHE 85 Ca -0.00 0.02 -0.30 0.00 3.98 0.00 0.00 57.97 61.67 1x1m h PHE 85 Cb 0.58 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.92 1x1m h PHE 85 CO 0.13 -0.13 -2.18 0.66 -2.02 0.00 0.00 178.31 174.76 1x1m n TYR 86 N -4.56 0.21 -0.19 0.41 4.01 -0.98 -4.96 117.16 111.09 1x1m n TYR 86 Ca 0.36 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1x1m n TYR 86 Cb 1.42 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 1.64 0.90 3.57 2.72 0.00 0.16 -5.05 105.19 109.12 1x1m n GLY 87 Ca -0.26 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.19 2.85 -4.22 -0.61 5.41 0.93 -4.95 119.36 116.58 1x1m n ILE 88 Ca 0.00 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.12 1x1m n ILE 88 Cb 0.00 -1.00 -0.10 0.00 -0.71 0.00 0.00 39.64 37.83 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 -2.30 0.99 0.00 0.38 -0.21 -1.26 -4.75 119.66 112.50 1x1m s GLN 89 Ca 0.70 -1.43 0.11 0.00 0.02 0.00 0.00 55.36 54.75 1x1m s GLN 89 Cb -0.48 -0.34 0.64 0.00 1.00 0.00 0.00 33.01 33.83 1x1m s GLN 89 CO 0.52 -0.03 1.08 -0.35 -2.12 0.00 0.00 175.29 174.40 1x1m n PRO 90 N -0.15 0.48 0.00 2.91 -0.04 -1.26 -2.02 135.00 134.92 1x1m n PRO 90 Ca -0.10 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 1x1m n PRO 90 Cb 0.61 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.03 -0.46 3.97 0.55 0.00 -1.26 -4.17 105.19 103.79 1x1m n GLY 91 Ca 0.08 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.72 4.51 -0.06 1.61 0.01 -0.86 -4.91 113.70 113.29 1x1m s SER 92 Ca 0.04 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.26 1x1m s SER 92 Cb 0.03 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1x1m s SER 92 CO 0.09 -1.75 -0.10 -0.89 0.41 0.00 0.00 173.24 171.00 1x1m s THR 93 N -3.16 0.95 -0.10 1.44 2.01 -1.26 -2.86 115.64 112.66 1x1m s THR 93 Ca 0.64 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 1x1m s THR 93 Cb -0.07 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1x1m s THR 93 CO 0.44 0.31 0.01 0.68 -0.69 0.00 0.00 174.62 175.37 1x1m s VAL 94 N 0.67 4.39 0.03 3.82 -7.23 -1.13 -4.83 120.40 116.13 1x1m s VAL 94 Ca -0.13 -0.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.77 1x1m s VAL 94 Cb -0.15 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1x1m s VAL 94 CO 0.03 0.58 0.28 -1.00 -0.31 0.00 0.00 175.10 174.68 1x1m s HIS 95 N -0.64 3.56 0.06 2.82 3.76 -0.10 -1.71 115.29 123.04 1x1m s HIS 95 Ca 0.11 0.55 0.02 0.00 -0.15 0.00 0.00 55.06 55.59 1x1m s HIS 95 Cb -0.12 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 1x1m s HIS 95 CO 0.02 0.58 0.08 0.08 -0.85 0.00 0.00 174.74 174.66 1x1m s VAL 96 N -1.37 4.59 -0.05 -0.90 1.01 -0.08 -0.45 120.40 123.17 1x1m s VAL 96 Ca 0.30 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1x1m s VAL 96 Cb -0.13 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1x1m s VAL 96 CO 0.18 0.18 -0.21 -0.22 0.00 0.00 0.00 175.10 175.04 1x1m s LEU 97 N -2.24 1.99 -0.54 3.92 1.98 -0.74 -0.85 118.68 122.19 1x1m s LEU 97 Ca 0.28 -0.42 -0.18 0.00 -2.89 0.00 0.00 54.13 50.92 1x1m s LEU 97 Cb -0.12 -1.14 0.09 0.00 0.66 0.00 0.00 46.19 45.69 1x1m s LEU 97 CO 0.20 0.20 0.60 -0.13 -1.89 0.00 0.00 176.35 175.33 1x1m s ARG 98 N -0.10 3.04 0.92 1.98 1.81 -1.26 -1.51 118.95 123.82 1x1m s ARG 98 Ca -0.02 -1.31 -0.14 0.00 -1.72 0.00 0.00 55.73 52.53 1x1m s ARG 98 Cb -0.12 -4.22 -0.02 0.00 -0.45 0.00 0.00 34.95 30.15 1x1m s ARG 98 CO 0.02 -1.35 0.17 1.63 -0.68 0.00 0.00 175.30 175.09 1x1m n LYS 99 N 5.90 -0.13 -0.06 3.54 5.02 -0.46 -4.96 118.16 127.01 1x1m n LYS 99 Ca -0.10 -0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.10 1x1m n LYS 99 Cb 0.43 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1x1m n LYS 99 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x1m n SER 100 N -0.10 2.89 -4.08 4.39 7.64 -1.26 -4.97 113.62 118.13 1x1m n SER 100 Ca 0.05 -0.05 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1x1m n SER 100 Cb 0.53 0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.58 1x1m n SER 100 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1x1m s TRP 101 N -2.25 1.53 0.00 1.43 -0.00 -1.26 -5.07 118.94 113.32 1x1m s TRP 101 Ca -0.15 -0.48 0.00 0.00 -0.00 0.00 0.00 56.10 55.47 1x1m s TRP 101 Cb 0.04 -1.07 0.00 0.00 -0.00 0.00 0.00 33.47 32.44 1x1m s TRP 101 CO 0.32 -0.20 0.69 0.43 -0.00 0.00 0.00 176.95 178.19 1x1m n SER 102 N 3.39 0.00 -0.69 5.86 7.64 -1.26 -4.94 113.62 123.62 1x1m n SER 102 Ca -0.20 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1x1m n SER 102 Cb 0.53 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.97 0.12 3.77 0.23 0.00 -1.26 -5.06 105.19 102.01 1x1m n GLY 103 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1x1m n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1m s PRO 104 N -1.30 2.20 -0.04 1.61 0.04 -1.26 -5.04 135.00 131.21 1x1m s PRO 104 Ca 0.00 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 1x1m s PRO 104 Cb 0.00 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1x1m s PRO 104 CO 0.00 -1.68 0.32 -1.54 0.04 0.00 0.00 177.00 174.14 1x1m s SER 105 N -3.39 6.66 0.48 6.66 1.04 -1.26 -5.10 113.70 118.79 1x1m s SER 105 Ca 0.61 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.91 1x1m s SER 105 Cb -0.17 -2.18 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1x1m s SER 105 CO 0.56 0.35 0.55 -0.44 0.98 0.00 0.00 173.24 175.23 1x1m s SER 106 N -1.11 5.17 0.00 7.02 0.01 -1.26 -5.35 113.70 118.18 1x1m s SER 106 Ca 0.21 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1x1m s SER 106 Cb -0.15 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1x1m s SER 106 CO 0.11 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.42