#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 6.33 0.23 1.61 0.01 -1.26 -5.01 113.70 115.61 1x1m s SER 2 Ca 0.00 -1.46 -0.30 0.00 1.31 0.00 0.00 55.95 55.50 1x1m s SER 2 Cb 0.00 -2.38 -0.15 0.00 0.21 0.00 0.00 66.02 63.70 1x1m s SER 2 CO 0.00 -1.23 1.08 -1.20 0.41 0.00 0.00 173.24 172.31 1x1m n SER 3 N 6.92 1.32 -0.46 2.44 7.64 -1.26 -4.59 113.62 125.64 1x1m n SER 3 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1x1m n SER 3 Cb 0.46 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1x1m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1m n GLY 4 N 1.65 -1.34 0.08 0.23 0.00 -1.26 -5.03 105.19 99.52 1x1m n GLY 4 Ca 0.12 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1x1m n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x1m h SER 5 N 0.00 0.00 -3.88 1.61 0.87 -2.01 -3.47 113.55 106.67 1x1m h SER 5 Ca 0.00 -0.30 -0.47 0.00 -1.23 0.00 0.00 61.79 59.78 1x1m h SER 5 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1x1m h SER 5 CO 0.00 1.03 0.36 -0.55 -0.53 0.00 0.00 176.83 177.14 1x1m s SER 6 N -6.19 7.28 0.63 6.23 0.15 -1.26 -5.03 113.70 115.51 1x1m s SER 6 Ca -0.19 1.88 -0.16 0.00 0.70 0.00 0.00 55.95 58.19 1x1m s SER 6 Cb 0.03 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1x1m s SER 6 CO 0.39 -0.11 1.12 -0.83 1.20 0.00 0.00 173.24 175.01 1x1m s GLY 7 N -1.56 2.30 -0.38 9.45 0.00 -1.26 -4.94 107.32 110.93 1x1m s GLY 7 Ca 0.50 0.65 -0.29 0.00 0.00 0.00 0.00 44.72 45.58 1x1m s GLY 7 CO 0.25 1.00 1.48 1.06 0.00 0.00 0.00 173.10 176.89 1x1m s MET 8 N -3.87 3.58 0.56 2.90 1.00 -1.26 -5.00 119.30 117.22 1x1m s MET 8 Ca 0.69 1.09 -0.15 0.00 0.00 0.00 0.00 55.69 57.32 1x1m s MET 8 Cb -0.22 -4.04 -0.06 0.00 0.00 0.00 0.00 34.83 30.51 1x1m s MET 8 CO 0.38 -1.55 1.01 -1.12 0.00 0.00 0.00 175.02 173.73 1x1m s SER 9 N 4.19 6.37 -0.21 3.03 0.01 -1.26 -5.05 113.70 120.78 1x1m s SER 9 Ca 0.64 1.57 -0.11 0.00 1.31 0.00 0.00 55.95 59.37 1x1m s SER 9 Cb -0.16 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1x1m s SER 9 CO 0.32 -0.76 0.17 -0.76 0.41 0.00 0.00 173.24 172.61 1x1m s LEU 10 N -4.44 4.17 0.00 2.44 1.02 -1.26 -5.05 118.68 115.56 1x1m s LEU 10 Ca 0.59 0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.96 1x1m s LEU 10 Cb -0.11 -2.14 -0.00 0.00 0.02 0.00 0.00 46.19 43.96 1x1m s LEU 10 CO 0.38 0.11 0.21 -1.20 0.02 0.00 0.00 176.35 175.87 1x1m n SER 11 N 3.91 -0.56 -0.03 2.29 7.64 -1.26 -5.10 113.62 120.50 1x1m n SER 11 Ca -0.15 -2.08 -0.08 0.00 1.01 0.00 0.00 58.87 57.57 1x1m n SER 11 Cb 0.52 1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 64.83 1x1m n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x1m n ASP 12 N -2.07 1.27 -4.65 6.43 8.00 -1.26 -4.97 116.55 119.29 1x1m n ASP 12 Ca 0.02 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 1x1m n ASP 12 Cb 0.32 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.35 1.57 -0.06 1.24 -0.11 -1.26 -4.98 118.94 112.99 1x1m s TRP 13 Ca -0.15 -0.10 0.03 0.00 1.22 0.00 0.00 56.10 57.10 1x1m s TRP 13 Cb 0.04 -4.09 0.01 0.00 -1.50 0.00 0.00 33.47 27.93 1x1m s TRP 13 CO 0.21 -4.69 -0.12 -3.38 -4.62 0.00 0.00 176.95 164.34 1x1m s HIS 14 N 4.63 1.41 0.21 5.86 -3.43 -1.26 -3.95 115.29 118.76 1x1m s HIS 14 Ca 0.83 -0.48 0.10 0.00 -0.80 0.00 0.00 55.06 54.70 1x1m s HIS 14 Cb -0.37 -1.02 -0.05 0.00 -1.43 0.00 0.00 32.58 29.71 1x1m s HIS 14 CO 0.36 -0.23 -0.18 -1.17 -2.00 0.00 0.00 174.74 171.51 1x1m s LEU 15 N 0.50 2.52 0.27 5.38 2.96 -0.85 -4.37 118.68 125.09 1x1m s LEU 15 Ca -0.11 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.78 1x1m s LEU 15 Cb -0.14 -0.91 -0.06 0.00 0.50 0.00 0.00 46.19 45.58 1x1m s LEU 15 CO 0.03 -0.03 0.54 0.00 -1.32 0.00 0.00 176.35 175.57 1x1m s ALA 16 N -2.39 3.62 -0.07 5.97 0.00 -1.12 -1.76 121.76 126.01 1x1m s ALA 16 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1x1m s ALA 16 Cb -0.04 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1x1m s ALA 16 CO 0.10 0.32 -0.01 0.08 0.00 0.00 0.00 175.76 176.25 1x1m s VAL 17 N -2.00 0.42 0.24 0.00 1.01 0.21 -3.12 120.40 117.15 1x1m s VAL 17 Ca 0.44 0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.60 1x1m s VAL 17 Cb -0.11 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1x1m s VAL 17 CO 0.28 0.25 -0.15 -0.54 0.00 0.00 0.00 175.10 174.94 1x1m s LYS 18 N 1.75 1.82 -0.44 2.72 -0.14 -0.13 -1.23 119.74 124.09 1x1m s LYS 18 Ca 0.02 -1.56 -0.10 0.00 -1.36 0.00 0.00 55.97 52.98 1x1m s LYS 18 Cb -0.13 -1.93 0.09 0.00 -1.68 0.00 0.00 37.83 34.18 1x1m s LYS 18 CO -0.04 0.37 0.29 -1.17 -0.76 0.00 0.00 175.35 174.04 1x1m s LEU 19 N -3.22 5.33 0.40 3.17 2.96 -1.26 -0.27 118.68 125.79 1x1m s LEU 19 Ca 0.27 -1.60 0.09 0.00 -0.22 0.00 0.00 54.13 52.67 1x1m s LEU 19 Cb -0.07 -2.01 0.87 0.00 0.50 0.00 0.00 46.19 45.48 1x1m s LEU 19 CO 0.15 -0.59 1.98 0.00 -1.32 0.00 0.00 176.35 176.57 1x1m h ALA 20 N 8.44 1.82 0.00 5.97 0.00 -1.00 -0.22 119.26 134.28 1x1m h ALA 20 Ca -0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1x1m h ALA 20 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x1m h ALA 20 CO 0.79 0.07 -0.37 -0.44 0.00 0.00 0.00 179.25 179.31 1x1m h ASP 21 N 0.59 0.00 -3.04 0.00 3.32 -1.93 -3.37 116.42 112.00 1x1m h ASP 21 Ca 0.28 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.73 1x1m h ASP 21 Cb 0.32 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.48 1x1m h ASP 21 CO -0.09 0.37 -0.79 -1.10 -1.72 0.00 0.00 179.24 175.91 1x1m s GLN 22 N -4.15 1.04 0.00 3.56 -0.21 -0.10 -4.96 119.66 114.84 1x1m s GLN 22 Ca -0.03 -1.84 0.14 0.00 0.02 0.00 0.00 55.36 53.66 1x1m s GLN 22 Cb 0.14 -1.93 0.66 0.00 1.00 0.00 0.00 33.01 32.89 1x1m s GLN 22 CO 0.72 -1.21 1.43 -0.35 -2.12 0.00 0.00 175.29 173.76 1x1m n PRO 23 N 3.57 0.09 -0.03 2.91 -0.04 -1.14 -2.37 135.00 137.98 1x1m n PRO 23 Ca 0.13 0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.73 1x1m n PRO 23 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.41 0.57 -4.61 1.53 4.77 -1.26 -4.96 117.00 111.63 1x1m n LEU 24 Ca 0.05 0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1x1m n LEU 24 Cb 0.15 0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.64 1x1m n LEU 24 CO 0.12 0.36 0.50 0.00 -1.33 0.00 0.00 177.39 177.05 1x1m n ALA 25 N -2.57 -1.26 -1.13 -1.18 0.00 -1.00 -5.00 120.51 108.37 1x1m n ALA 25 Ca -0.20 -0.58 -0.29 0.00 0.00 0.00 0.00 53.44 52.37 1x1m n ALA 25 Cb 1.03 -2.11 0.20 0.00 0.00 0.00 0.00 19.45 18.57 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 -4.41 -0.21 0.22 0.00 0.04 -1.26 -4.91 135.00 124.47 1x1m s PRO 26 Ca 0.65 0.30 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 1x1m s PRO 26 Cb -0.23 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1x1m s PRO 26 CO 0.60 -3.11 0.40 0.21 0.04 0.00 0.00 177.00 175.14 1x1m s LYS 27 N -5.11 3.51 0.02 4.56 2.20 -1.26 -4.72 119.74 118.93 1x1m s LYS 27 Ca 0.67 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.97 1x1m s LYS 27 Cb -0.16 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 1x1m s LYS 27 CO 0.57 0.38 -0.16 0.45 -0.36 0.00 0.00 175.35 176.23 1x1m s SER 28 N -3.30 1.95 -0.14 1.43 0.15 -0.37 -4.98 113.70 108.45 1x1m s SER 28 Ca 0.38 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 1x1m s SER 28 Cb -0.11 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.00 1x1m s SER 28 CO 0.30 0.13 0.01 -0.63 1.20 0.00 0.00 173.24 174.24 1x1m s ILE 29 N -0.65 4.32 0.05 6.45 -1.09 -1.26 0.65 121.20 129.67 1x1m s ILE 29 Ca 0.05 -0.22 0.09 0.00 -2.23 0.00 0.00 60.65 58.34 1x1m s ILE 29 Cb -0.07 -2.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 1x1m s ILE 29 CO 0.01 0.53 -0.26 -0.22 -1.23 0.00 0.00 174.94 173.77 1x1m s LEU 30 N -0.13 2.21 -0.32 2.97 2.96 -0.72 -4.99 118.68 120.66 1x1m s LEU 30 Ca 0.05 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1x1m s LEU 30 Cb -0.13 -1.29 0.09 0.00 0.50 0.00 0.00 46.19 45.36 1x1m s LEU 30 CO 0.02 0.25 0.03 -1.10 -1.32 0.00 0.00 176.35 174.23 1x1m s GLN 31 N -1.33 1.48 0.56 1.98 -0.21 -1.26 -2.01 119.66 118.86 1x1m s GLN 31 Ca 0.12 -1.62 -0.18 0.00 0.02 0.00 0.00 55.36 53.69 1x1m s GLN 31 Cb -0.10 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 30.91 1x1m s GLN 31 CO 0.03 -0.87 1.10 -0.48 -2.12 0.00 0.00 175.29 172.94 1x1m s LEU 32 N 1.07 3.68 0.76 2.90 0.05 -1.25 -5.02 118.68 120.87 1x1m s LEU 32 Ca 0.07 2.04 -0.11 0.00 0.05 0.00 0.00 54.13 56.18 1x1m s LEU 32 Cb -0.19 -4.56 0.05 0.00 -2.05 0.00 0.00 46.19 39.44 1x1m s LEU 32 CO -0.10 -1.18 1.09 -2.16 -0.55 0.00 0.00 176.35 173.45 1x1m s PRO 33 N -3.51 2.30 1.14 1.48 0.04 -1.26 -4.81 135.00 130.38 1x1m s PRO 33 Ca 0.69 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1x1m s PRO 33 Cb -0.21 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 32.61 1x1m s PRO 33 CO 0.29 -1.61 0.28 -0.85 0.04 0.00 0.00 177.00 175.14 1x1m n GLU 34 N -3.43 -2.31 -3.94 4.56 0.28 -1.26 -5.05 120.64 109.49 1x1m n GLU 34 Ca 0.09 -0.67 -0.08 0.00 -0.16 0.00 0.00 57.16 56.34 1x1m n GLU 34 Cb 0.53 -1.69 -0.08 0.00 1.43 0.00 0.00 31.44 31.63 1x1m n GLU 34 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1x1m s THR 35 N -2.18 0.17 0.44 3.84 -1.32 -1.26 -5.02 115.64 110.31 1x1m s THR 35 Ca 0.52 -1.41 0.32 0.00 -1.21 0.00 0.00 61.69 59.92 1x1m s THR 35 Cb -0.11 -1.41 0.50 0.00 -1.51 0.00 0.00 72.50 69.97 1x1m s THR 35 CO 0.55 -0.77 1.59 1.05 -2.21 0.00 0.00 174.62 174.82 1x1m h GLU 36 N 2.89 0.02 0.00 7.08 9.09 -1.99 -3.40 114.58 128.27 1x1m h GLU 36 Ca -0.34 -0.00 -0.44 0.00 0.05 0.00 0.00 59.36 58.63 1x1m h GLU 36 Cb 1.18 -0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1x1m h GLU 36 CO 0.60 0.01 -0.09 1.28 0.05 0.00 0.00 179.01 180.86 1x1m n LEU 37 N -4.75 0.00 -4.81 3.06 7.99 -1.26 -5.10 117.00 112.13 1x1m n LEU 37 Ca 0.40 -2.28 -0.31 0.00 -0.01 0.00 0.00 56.01 53.81 1x1m n LEU 37 Cb 1.54 -0.33 0.07 0.00 -0.11 0.00 0.00 43.42 44.59 1x1m n LEU 37 CO 0.18 -0.67 0.71 -0.83 -1.51 0.00 0.00 177.39 175.27 1x1m s GLY 38 N -4.29 1.66 0.23 -0.72 0.00 -1.26 -4.96 107.32 97.97 1x1m s GLY 38 Ca 0.51 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.26 1x1m s GLY 38 CO 0.32 0.40 1.63 1.05 0.00 0.00 0.00 173.10 176.50 1x1m h GLU 39 N -0.87 0.66 -1.29 2.90 9.09 -1.99 -3.08 114.58 120.00 1x1m h GLU 39 Ca -0.44 -0.28 0.45 0.00 0.05 0.00 0.00 59.36 59.13 1x1m h GLU 39 Cb 1.23 -0.02 -0.13 0.00 -1.65 0.00 0.00 28.75 28.18 1x1m h GLU 39 CO 0.56 0.87 0.83 2.48 0.05 0.00 0.00 179.01 183.81 1x1m n TYR 40 N -4.09 0.64 -3.66 2.06 4.11 -1.26 -4.12 117.16 110.84 1x1m n TYR 40 Ca -0.01 0.64 -0.06 0.00 -0.00 0.00 0.00 57.90 58.48 1x1m n TYR 40 Cb 0.45 -1.07 -0.07 0.00 -0.00 0.00 0.00 39.34 38.65 1x1m n TYR 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1x1m s SER 41 N -4.28 -0.68 -0.05 9.48 0.01 -1.16 -5.05 113.70 111.97 1x1m s SER 41 Ca -0.07 1.25 -0.03 0.00 1.31 0.00 0.00 55.95 58.41 1x1m s SER 41 Cb 0.29 1.62 -0.01 0.00 0.21 0.00 0.00 66.02 68.13 1x1m s SER 41 CO 0.76 -0.22 -0.07 0.18 0.41 0.00 0.00 173.24 174.30 1x1m n LEU 42 N 5.15 0.61 -4.06 2.44 4.77 -1.26 -4.39 117.00 120.26 1x1m n LEU 42 Ca -0.13 0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1x1m n LEU 42 Cb 0.51 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1x1m n LEU 42 CO -0.01 -0.48 -0.19 0.61 -1.33 0.00 0.00 177.39 175.99 1x1m n GLY 43 N 1.67 -0.76 0.00 -0.72 0.00 -1.26 -4.68 105.19 99.45 1x1m n GLY 43 Ca -0.03 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.11 0.03 3.77 -0.02 0.00 -1.26 -4.82 105.19 100.78 1x1m n GLY 44 Ca -0.14 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1x1m n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1m s TYR 45 N -0.67 2.55 -0.14 1.61 2.02 -1.26 -4.86 117.35 116.61 1x1m s TYR 45 Ca 0.00 1.23 -0.17 0.00 -0.37 0.00 0.00 57.07 57.75 1x1m s TYR 45 Cb 0.00 -3.95 -0.04 0.00 -0.40 0.00 0.00 41.96 37.56 1x1m s TYR 45 CO 0.00 -2.90 0.45 -1.12 -1.57 0.00 0.00 175.55 170.41 1x1m s SER 46 N -0.34 6.62 0.18 2.29 0.01 -1.26 -2.91 113.70 118.29 1x1m s SER 46 Ca 0.56 0.73 -0.09 0.00 1.31 0.00 0.00 55.95 58.47 1x1m s SER 46 Cb -0.45 -2.27 0.26 0.00 0.21 0.00 0.00 66.02 63.77 1x1m s SER 46 CO 0.59 -0.01 1.11 -0.38 0.41 0.00 0.00 173.24 174.96 1x1m n ILE 47 N 3.79 -0.33 -0.27 1.44 2.08 -1.00 0.15 119.36 125.22 1x1m n ILE 47 Ca -0.08 1.65 0.06 0.00 0.56 0.00 0.00 62.75 64.94 1x1m n ILE 47 Cb 0.51 -2.23 0.16 0.00 -0.75 0.00 0.00 39.64 37.33 1x1m n ILE 47 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1x1m h SER 48 N 0.00 -0.45 -0.20 4.38 0.87 -1.82 -1.02 113.55 115.31 1x1m h SER 48 Ca 0.30 0.22 0.03 0.00 -1.23 0.00 0.00 61.79 61.11 1x1m h SER 48 Cb 0.48 0.39 -0.07 0.00 -0.44 0.00 0.00 62.40 62.76 1x1m h SER 48 CO -0.72 -0.22 -0.54 0.15 -0.53 0.00 0.00 176.83 174.97 1x1m h PHE 49 N 0.07 -1.61 -0.16 2.24 3.57 0.10 -2.17 116.94 118.99 1x1m h PHE 49 Ca 0.43 0.07 0.05 0.00 3.53 0.00 0.00 57.97 62.04 1x1m h PHE 49 Cb 0.76 0.73 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 1x1m h PHE 49 CO -0.48 -0.52 -0.25 -0.07 -2.23 0.00 0.00 178.31 174.76 1x1m h LEU 50 N -0.52 -0.79 -1.12 0.59 3.38 -1.21 0.10 115.31 115.74 1x1m h LEU 50 Ca 0.04 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.33 1x1m h LEU 50 Cb 0.64 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1x1m h LEU 50 CO -0.47 -0.30 0.96 0.11 0.09 0.00 0.00 178.44 178.83 1x1m h LYS 51 N -0.31 0.00 0.00 1.13 1.57 -0.70 0.37 116.57 118.64 1x1m h LYS 51 Ca 0.11 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1x1m h LYS 51 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1x1m h LYS 51 CO -0.33 0.00 -0.58 1.96 -0.57 0.00 0.00 179.45 179.93 1x1m h GLN 52 N 0.00 0.00 -0.03 3.15 4.20 -0.40 -3.05 115.11 118.97 1x1m h GLN 52 Ca 0.30 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.04 1x1m h GLN 52 Cb 2.22 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.97 1x1m h GLN 52 CO -0.00 0.93 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.91 1x1m h LEU 53 N -1.00 -0.32 -0.51 1.46 4.07 0.04 -1.09 115.31 117.96 1x1m h LEU 53 Ca -0.15 0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.88 1x1m h LEU 53 Cb 1.08 0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 1x1m h LEU 53 CO -0.09 -0.15 0.31 0.40 -1.08 0.00 0.00 178.44 177.83 1x1m h ILE 54 N -0.17 1.06 -0.42 1.22 5.03 -1.29 -1.82 117.51 121.13 1x1m h ILE 54 Ca 0.05 -0.21 0.04 0.00 -0.12 0.00 0.00 64.86 64.62 1x1m h ILE 54 Cb 0.24 0.39 -0.02 0.00 -3.03 0.00 0.00 36.82 34.39 1x1m h ILE 54 CO -0.13 0.11 0.28 0.00 -0.68 0.00 0.00 178.15 177.73 1x1m h ALA 55 N 1.22 1.87 0.00 1.87 0.00 -1.35 0.51 119.26 123.37 1x1m h ALA 55 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x1m h ALA 55 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x1m h ALA 55 CO -0.09 0.08 0.00 0.78 0.00 0.00 0.00 179.25 180.02 1x1m h GLY 56 N 0.42 0.00 0.07 0.00 0.00 -0.32 -2.77 103.07 100.47 1x1m h GLY 56 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.12 1x1m h GLY 56 CO -0.04 0.00 -2.40 0.28 0.00 0.00 0.00 176.54 174.38 1x1m n LYS 57 N -2.96 0.67 0.00 4.80 4.76 -0.12 -4.20 118.16 121.10 1x1m n LYS 57 Ca 0.00 0.11 0.09 0.00 -2.87 0.00 0.00 58.31 55.64 1x1m n LYS 57 Cb 0.26 -1.54 0.52 0.00 -1.84 0.00 0.00 35.03 32.43 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 -3.12 0.00 -0.32 -0.35 4.77 -0.02 -4.08 117.00 113.89 1x1m n LEU 58 Ca -0.40 0.00 0.27 0.00 -0.03 0.00 0.00 56.01 55.84 1x1m n LEU 58 Cb 1.05 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 42.58 1x1m n LEU 58 CO 0.33 0.00 0.80 0.00 -1.33 0.00 0.00 177.39 177.18 1x1m n GLN 59 N -0.89 -0.02 -0.27 3.23 10.64 -1.05 0.83 117.38 129.85 1x1m n GLN 59 Ca 0.13 0.78 0.01 0.00 -1.83 0.00 0.00 57.00 56.09 1x1m n GLN 59 Cb 0.06 -1.57 0.08 0.00 -0.86 0.00 0.00 30.24 27.95 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 -0.03 0.00 2.61 -0.00 -1.91 -3.27 114.58 111.98 1x1m h GLU 60 Ca 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.83 1x1m h GLU 60 Cb 1.88 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 30.62 1x1m h GLU 60 CO -0.26 -0.02 -1.35 0.43 -0.00 0.00 0.00 179.01 177.82 1x1m n SER 61 N -5.50 3.65 -4.61 3.06 7.64 0.24 -4.96 113.62 113.15 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 0.39 0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.12 4.27 -0.02 0.44 1.01 0.12 -4.92 120.40 119.18 1x1m s VAL 62 Ca -0.05 1.36 -0.25 0.00 0.00 0.00 0.00 61.98 63.04 1x1m s VAL 62 Cb 0.02 -4.51 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 1x1m s VAL 62 CO 0.18 -0.82 1.22 1.55 0.00 0.00 0.00 175.10 177.23 1x1m h PRO 63 N 8.98 -0.07 -3.88 2.72 0.13 -1.86 -3.28 132.00 134.75 1x1m h PRO 63 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1x1m h PRO 63 Cb 1.06 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.03 1x1m h PRO 63 CO 1.09 0.40 -0.57 -0.51 -0.23 0.00 0.00 178.00 178.18 1x1m s ASP 64 N -5.60 0.22 0.51 1.44 1.11 -1.26 -4.99 116.67 108.10 1x1m s ASP 64 Ca -0.15 -0.58 0.30 0.00 0.18 0.00 0.00 52.55 52.30 1x1m s ASP 64 Cb 0.02 0.20 1.25 0.00 1.07 0.00 0.00 42.92 45.46 1x1m s ASP 64 CO 0.64 -0.48 1.95 1.55 1.18 0.00 0.00 175.17 180.01 1x1m h PRO 65 N 3.79 0.00 0.00 8.23 0.13 -1.88 -2.80 132.00 139.47 1x1m h PRO 65 Ca -0.33 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.67 1x1m h PRO 65 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1x1m h PRO 65 CO 0.50 0.10 -1.01 0.93 -0.23 0.00 0.00 178.00 178.29 1x1m h GLU 66 N 0.00 0.00 -0.78 0.86 5.08 -1.96 -3.28 114.58 114.50 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 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1x1m h GLU 66 CO 0.01 0.37 0.00 1.28 -1.00 0.00 0.00 179.01 179.67 1x1m n LEU 67 N -3.02 2.90 -4.19 1.33 4.77 -1.06 -4.88 117.00 112.85 1x1m n LEU 67 Ca -0.04 -1.47 -0.17 0.00 -0.03 0.00 0.00 56.01 54.31 1x1m n LEU 67 Cb 0.78 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1x1m n LEU 67 CO 0.42 0.41 -0.01 0.27 -1.33 0.00 0.00 177.39 177.15 1x1m s ILE 68 N -1.73 0.00 0.20 -0.08 -5.25 -1.23 -2.55 121.20 110.56 1x1m s ILE 68 Ca 0.23 -1.82 0.05 0.00 -0.99 0.00 0.00 60.65 58.11 1x1m s ILE 68 Cb 0.17 -2.55 -0.02 0.00 2.95 0.00 0.00 42.46 43.01 1x1m s ILE 68 CO 0.07 0.00 0.16 0.47 -1.79 0.00 0.00 174.94 173.86 1x1m n ASP 69 N -1.35 -0.31 -3.86 4.36 8.00 0.38 -4.81 116.55 118.97 1x1m n ASP 69 Ca 0.04 -2.33 -0.18 0.00 0.71 0.00 0.00 54.79 53.03 1x1m n ASP 69 Cb 0.62 0.99 -0.16 0.00 -0.02 0.00 0.00 41.12 42.55 1x1m n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1x1m s LEU 70 N 0.00 1.27 -0.08 0.64 2.96 -1.26 -2.57 118.68 119.63 1x1m s LEU 70 Ca 0.23 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1x1m s LEU 70 Cb 0.01 -0.33 -0.00 0.00 0.50 0.00 0.00 46.19 46.37 1x1m s LEU 70 CO 0.16 -0.07 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.27 1x1m s ILE 71 N 0.94 1.89 -0.06 6.68 -1.09 0.19 -1.85 121.20 127.90 1x1m s ILE 71 Ca -0.11 -0.93 -0.02 0.00 -2.23 0.00 0.00 60.65 57.35 1x1m s ILE 71 Cb -0.14 -1.63 0.04 0.00 -1.58 0.00 0.00 42.46 39.14 1x1m s ILE 71 CO -0.01 0.52 0.12 -0.47 -1.23 0.00 0.00 174.94 173.88 1x1m s TYR 72 N 0.27 -0.12 -0.94 3.97 6.14 0.77 0.84 117.35 128.28 1x1m s TYR 72 Ca -0.15 0.41 -0.00 0.00 0.64 0.00 0.00 57.07 57.97 1x1m s TYR 72 Cb -0.17 -0.12 0.00 0.00 0.42 0.00 0.00 41.96 42.10 1x1m s TYR 72 CO 0.07 -0.15 0.06 0.00 0.64 0.00 0.00 175.55 176.16 1x1m n GLY 74 N -1.04 -0.00 3.59 0.00 0.00 -1.26 -5.01 105.19 101.46 1x1m n GLY 74 Ca -0.12 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.73 0.91 0.70 1.61 1.70 -1.11 -5.17 118.95 112.86 1x1m s ARG 75 Ca 0.05 0.69 -0.13 0.00 -0.47 0.00 0.00 55.73 55.87 1x1m s ARG 75 Cb -0.02 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.81 1x1m s ARG 75 CO 0.07 -0.19 1.09 0.21 -1.08 0.00 0.00 175.30 175.40 1x1m s LYS 76 N -0.25 2.67 -0.15 3.89 2.20 -1.26 -0.17 119.74 126.68 1x1m s LYS 76 Ca -0.04 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.81 1x1m s LYS 76 Cb -0.03 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 1x1m s LYS 76 CO 0.04 -1.33 -0.19 -0.51 -0.36 0.00 0.00 175.35 173.00 1x1m s LEU 77 N -5.32 2.29 0.80 5.43 1.43 -0.77 -4.82 118.68 117.71 1x1m s LEU 77 Ca 0.63 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1x1m s LEU 77 Cb -0.18 -1.50 0.07 0.00 0.03 0.00 0.00 46.19 44.62 1x1m s LEU 77 CO 0.48 0.09 1.10 -0.54 0.23 0.00 0.00 176.35 177.71 1x1m s LYS 78 N 0.79 2.02 -0.12 1.70 -0.14 -1.26 -4.75 119.74 117.98 1x1m s LYS 78 Ca -0.07 0.59 0.05 0.00 -1.36 0.00 0.00 55.97 55.19 1x1m s LYS 78 Cb -0.16 -1.92 0.35 0.00 -1.68 0.00 0.00 37.83 34.43 1x1m s LYS 78 CO -0.01 -1.65 1.10 -0.40 -0.76 0.00 0.00 175.35 173.64 1x1m n ASP 79 N -3.44 3.12 0.00 2.83 5.75 -1.26 -3.50 116.55 120.04 1x1m n ASP 79 Ca 0.07 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1x1m n ASP 79 Cb 0.57 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1x1m n ASP 79 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x1m n ASP 80 N 0.19 1.69 -4.68 -1.12 9.92 -1.26 -4.64 116.55 116.65 1x1m n ASP 80 Ca 0.14 -1.76 -0.25 0.00 -0.53 0.00 0.00 54.79 52.39 1x1m n ASP 80 Cb 0.72 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.12 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1x1m s GLN 81 N -0.76 2.13 0.41 -1.24 -1.52 -1.23 -5.04 119.66 112.40 1x1m s GLN 81 Ca 0.00 -1.89 0.07 0.00 -1.95 0.00 0.00 55.36 51.59 1x1m s GLN 81 Cb 0.00 -1.89 -0.08 0.00 -0.22 0.00 0.00 33.01 30.83 1x1m s GLN 81 CO 0.00 -0.04 0.01 0.95 -0.25 0.00 0.00 175.29 175.96 1x1m s THR 82 N -2.61 2.00 0.25 -0.19 -4.23 -1.26 -2.37 115.64 107.23 1x1m s THR 82 Ca 0.38 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1x1m s THR 82 Cb 0.04 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.12 1x1m s THR 82 CO 0.21 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 176.06 1x1m h LEU 83 N 1.77 0.84 -0.26 4.79 -0.00 -1.86 -1.85 115.31 118.72 1x1m h LEU 83 Ca -0.44 0.03 -0.21 0.00 -0.00 0.00 0.00 57.88 57.26 1x1m h LEU 83 Cb 1.24 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1x1m h LEU 83 CO 0.81 0.51 -0.78 -0.78 -0.00 0.00 0.00 178.44 178.20 1x1m h ASP 84 N 0.96 0.70 -0.63 -0.43 3.58 -1.88 0.21 116.42 118.93 1x1m h ASP 84 Ca 0.40 -0.47 0.12 0.00 0.42 0.00 0.00 57.03 57.50 1x1m h ASP 84 Cb 0.25 -0.21 -0.09 0.00 1.72 0.00 0.00 39.33 41.01 1x1m h ASP 84 CO -0.20 1.24 0.17 0.15 -2.88 0.00 0.00 179.24 177.72 1x1m h PHE 85 N 0.39 0.28 0.04 0.28 3.04 -1.74 -2.07 116.94 117.16 1x1m h PHE 85 Ca -0.05 0.04 -0.27 0.00 3.98 0.00 0.00 57.97 61.67 1x1m h PHE 85 Cb 1.39 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.84 1x1m h PHE 85 CO 0.07 0.00 -1.40 1.88 -2.02 0.00 0.00 178.31 176.84 1x1m h TYR 86 N 0.31 0.17 0.00 0.41 0.05 -1.49 -3.48 116.97 112.94 1x1m h TYR 86 Ca 0.33 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1x1m h TYR 86 Cb 0.49 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1x1m h TYR 86 CO -0.22 1.15 0.00 0.41 -1.05 0.00 0.00 178.16 178.44 1x1m n GLY 87 N 1.53 1.29 3.76 3.88 0.00 -0.27 -5.08 105.19 110.29 1x1m n GLY 87 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1x1m n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1m s ILE 88 N -2.00 2.70 0.18 -0.61 1.01 0.58 -4.98 121.20 118.08 1x1m s ILE 88 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1x1m s ILE 88 Cb 0.00 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1x1m s ILE 88 CO 0.00 -0.02 -0.08 -1.10 0.00 0.00 0.00 174.94 173.75 1x1m s GLN 89 N -2.84 1.16 0.00 2.79 -0.21 -1.26 -4.69 119.66 114.61 1x1m s GLN 89 Ca 0.68 -1.53 0.10 0.00 0.02 0.00 0.00 55.36 54.64 1x1m s GLN 89 Cb -0.33 -0.66 0.62 0.00 1.00 0.00 0.00 33.01 33.65 1x1m s GLN 89 CO 0.39 0.03 1.06 -0.35 -2.12 0.00 0.00 175.29 174.30 1x1m n PRO 90 N -0.27 0.49 -0.20 2.91 -0.04 -1.26 -2.25 135.00 134.37 1x1m n PRO 90 Ca -0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1x1m n PRO 90 Cb 0.62 -1.34 0.11 0.00 -0.04 0.00 0.00 33.50 32.85 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 3.81 2.37 0.55 0.00 -1.26 -4.32 105.19 106.32 1x1m n GLY 91 Ca 0.08 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1m n SER 92 N -1.07 1.85 -3.93 1.61 2.88 -0.95 -5.00 113.62 109.01 1x1m n SER 92 Ca 0.12 -2.10 -0.18 0.00 -1.33 0.00 0.00 58.87 55.37 1x1m n SER 92 Cb 0.66 -0.10 -0.15 0.00 -0.75 0.00 0.00 64.21 63.87 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x1m s THR 93 N -1.55 0.51 -0.12 2.46 2.01 -1.26 -2.81 115.64 114.88 1x1m s THR 93 Ca 0.25 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1x1m s THR 93 Cb -0.02 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1x1m s THR 93 CO 0.16 0.18 -0.12 0.68 -0.69 0.00 0.00 174.62 174.83 1x1m s VAL 94 N 0.43 3.19 -0.26 3.82 -7.23 -1.18 -4.66 120.40 114.51 1x1m s VAL 94 Ca -0.05 -0.63 -0.17 0.00 -1.81 0.00 0.00 61.98 59.32 1x1m s VAL 94 Cb -0.09 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1x1m s VAL 94 CO -0.00 0.53 0.47 -1.00 -0.31 0.00 0.00 175.10 174.80 1x1m s HIS 95 N 0.12 3.27 -0.01 2.82 3.76 0.25 -0.96 115.29 124.54 1x1m s HIS 95 Ca -0.06 0.59 -0.26 0.00 -0.15 0.00 0.00 55.06 55.19 1x1m s HIS 95 Cb -0.15 -2.67 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1x1m s HIS 95 CO 0.04 -0.24 0.80 0.08 -0.85 0.00 0.00 174.74 174.57 1x1m s VAL 96 N 2.15 4.90 -0.18 -0.90 1.01 0.63 0.56 120.40 128.56 1x1m s VAL 96 Ca 0.20 1.67 0.01 0.00 0.00 0.00 0.00 61.98 63.86 1x1m s VAL 96 Cb -0.16 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1x1m s VAL 96 CO 0.09 0.26 -0.16 -0.22 0.00 0.00 0.00 175.10 175.08 1x1m s LEU 97 N 0.58 2.17 0.05 3.92 0.20 -1.06 -0.38 118.68 124.16 1x1m s LEU 97 Ca 0.42 -0.72 -0.20 0.00 0.69 0.00 0.00 54.13 54.31 1x1m s LEU 97 Cb -0.20 -1.36 -0.06 0.00 -0.43 0.00 0.00 46.19 44.14 1x1m s LEU 97 CO 0.22 -0.06 0.60 0.00 -0.29 0.00 0.00 176.35 176.82 1x1m s ARG 98 N 1.34 4.27 -0.83 1.98 1.70 -1.26 0.14 118.95 126.29 1x1m s ARG 98 Ca 0.02 0.77 -0.25 0.00 -0.47 0.00 0.00 55.73 55.81 1x1m s ARG 98 Cb -0.14 -3.28 -0.04 0.00 -0.57 0.00 0.00 34.95 30.92 1x1m s ARG 98 CO -0.11 0.54 1.93 0.15 -1.08 0.00 0.00 175.30 176.73 1x1m s LYS 99 N -0.79 2.57 -0.54 3.89 1.02 -1.06 -4.91 119.74 119.94 1x1m s LYS 99 Ca 0.30 -0.08 -0.27 0.00 0.02 0.00 0.00 55.97 55.94 1x1m s LYS 99 Cb -0.19 -4.90 -0.01 0.00 -0.52 0.00 0.00 37.83 32.21 1x1m s LYS 99 CO 0.19 -3.22 1.65 -1.12 -0.92 0.00 0.00 175.35 171.93 1x1m s SER 100 N 8.04 5.76 -0.16 2.83 0.01 -1.26 -4.85 113.70 124.08 1x1m s SER 100 Ca 0.69 0.50 -0.19 0.00 1.31 0.00 0.00 55.95 58.26 1x1m s SER 100 Cb -0.08 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.45 1x1m s SER 100 CO 0.04 -1.96 0.32 4.11 0.41 0.00 0.00 173.24 176.16 1x1m h TRP 101 N 12.84 0.00 -3.42 2.43 0.09 -1.98 -3.50 115.95 122.42 1x1m h TRP 101 Ca -0.28 0.00 -0.18 0.00 0.09 0.00 0.00 58.89 58.52 1x1m h TRP 101 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 30.33 1x1m h TRP 101 CO 1.02 0.90 -0.06 0.45 0.09 0.00 0.00 178.44 180.84 1x1m n SER 102 N -4.57 -1.14 -4.22 0.11 2.88 -1.26 -5.11 113.62 100.31 1x1m n SER 102 Ca -0.17 -2.41 -0.42 0.00 -1.33 0.00 0.00 58.87 54.55 1x1m n SER 102 Cb 0.46 2.08 -0.05 0.00 -0.75 0.00 0.00 64.21 65.95 1x1m n SER 102 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1m s GLY 103 N -2.64 2.71 0.00 0.46 0.00 -1.26 -4.88 107.32 101.71 1x1m s GLY 103 Ca 0.21 -3.42 0.15 0.00 0.00 0.00 0.00 44.72 41.66 1x1m s GLY 103 CO 0.15 1.20 1.31 -1.55 0.00 0.00 0.00 173.10 174.21 1x1m n PRO 104 N 3.48 0.49 -1.67 2.90 -0.04 -1.26 -4.86 135.00 134.03 1x1m n PRO 104 Ca 0.13 0.00 -0.65 0.00 -0.04 0.00 0.00 63.50 62.94 1x1m n PRO 104 Cb 0.42 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1x1m n PRO 104 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x1m n SER 105 N -0.98 1.06 -0.28 3.54 3.41 -1.26 -4.78 113.62 114.33 1x1m n SER 105 Ca 0.11 1.15 0.05 0.00 -0.26 0.00 0.00 58.87 59.92 1x1m n SER 105 Cb 0.05 -0.86 0.15 0.00 -0.26 0.00 0.00 64.21 63.29 1x1m n SER 105 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1x1m h SER 106 N 4.65 -0.57 0.00 4.04 0.87 -2.05 -3.56 113.55 116.93 1x1m h SER 106 Ca -0.43 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1x1m h SER 106 Cb 1.33 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 1x1m h SER 106 CO 0.92 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.58