#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m h SER 2 N 0.00 -0.00 -0.84 1.61 4.64 -2.13 -3.46 113.55 113.37 1x1m h SER 2 Ca 0.00 -0.84 0.13 0.00 -0.47 0.00 0.00 61.79 60.61 1x1m h SER 2 Cb 0.00 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 61.88 1x1m h SER 2 CO 0.00 0.84 -0.15 -0.55 -0.87 0.00 0.00 176.83 176.10 1x1m s SER 3 N -6.05 -1.12 0.00 4.97 0.15 -1.26 -5.16 113.70 105.23 1x1m s SER 3 Ca -0.18 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1x1m s SER 3 Cb -0.02 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1x1m s SER 3 CO 0.68 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1x1m n GLY 4 N 5.44 1.19 3.21 9.45 0.00 -1.26 -5.18 105.19 118.03 1x1m n GLY 4 Ca -0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 2.00 0.05 0.32 1.61 1.04 -1.26 -5.18 113.70 112.28 1x1m s SER 5 Ca 0.00 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1x1m s SER 5 Cb 0.00 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 1x1m s SER 5 CO 0.00 -0.67 0.06 -0.44 0.98 0.00 0.00 173.24 173.17 1x1m s SER 6 N -2.54 2.24 0.00 7.02 0.01 -1.26 -5.13 113.70 114.04 1x1m s SER 6 Ca 0.01 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.89 1x1m s SER 6 Cb 0.02 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1x1m s SER 6 CO -0.08 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1x1m n GLY 7 N -0.66 0.97 2.89 3.44 0.00 -1.26 -5.03 105.19 105.54 1x1m n GLY 7 Ca -0.02 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 1x1m n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x1m s MET 8 N -1.92 1.51 0.35 1.61 1.00 -1.26 -5.11 119.30 115.49 1x1m s MET 8 Ca 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 55.69 53.49 1x1m s MET 8 Cb 0.00 -2.91 -0.09 0.00 0.00 0.00 0.00 34.83 31.84 1x1m s MET 8 CO 0.00 -1.05 0.77 0.45 0.00 0.00 0.00 175.02 175.19 1x1m s SER 9 N 0.47 6.74 -0.03 3.03 0.15 -1.26 -5.01 113.70 117.79 1x1m s SER 9 Ca 0.14 1.30 -0.20 0.00 0.70 0.00 0.00 55.95 57.89 1x1m s SER 9 Cb -0.22 -2.38 -0.32 0.00 -1.71 0.00 0.00 66.02 61.38 1x1m s SER 9 CO -0.06 -0.27 0.91 -0.07 1.20 0.00 0.00 173.24 174.95 1x1m h LEU 10 N 1.99 0.56 1.58 3.45 4.07 -2.00 -3.46 115.31 121.50 1x1m h LEU 10 Ca -0.48 -0.95 -0.08 0.00 0.08 0.00 0.00 57.88 56.46 1x1m h LEU 10 Cb 1.18 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1x1m h LEU 10 CO 0.65 1.47 -0.08 -1.20 -1.08 0.00 0.00 178.44 178.20 1x1m n SER 11 N -4.03 -1.43 -0.40 -0.43 7.64 -1.26 -4.69 113.62 109.02 1x1m n SER 11 Ca -0.15 0.25 0.34 0.00 1.01 0.00 0.00 58.87 60.32 1x1m n SER 11 Cb 0.89 -1.49 0.57 0.00 -1.01 0.00 0.00 64.21 63.16 1x1m n SER 11 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x1m n ASP 12 N -0.50 0.16 -4.64 6.43 2.03 -1.26 -3.91 116.55 114.86 1x1m n ASP 12 Ca -0.04 1.11 -0.41 0.00 0.52 0.00 0.00 54.79 55.97 1x1m n ASP 12 Cb 0.33 -0.55 -0.06 0.00 -0.72 0.00 0.00 41.12 40.13 1x1m n ASP 12 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1x1m s TRP 13 N -4.91 3.32 0.06 -0.67 -0.11 -1.26 -5.05 118.94 110.32 1x1m s TRP 13 Ca -0.06 0.96 0.05 0.00 1.22 0.00 0.00 56.10 58.27 1x1m s TRP 13 Cb 0.25 -2.89 -0.03 0.00 -1.50 0.00 0.00 33.47 29.30 1x1m s TRP 13 CO 0.68 -0.30 -0.15 -3.38 -4.62 0.00 0.00 176.95 169.18 1x1m s HIS 14 N 2.41 1.28 0.03 5.86 -3.43 -1.25 -4.20 115.29 115.99 1x1m s HIS 14 Ca 0.30 -0.42 -0.00 0.00 -0.80 0.00 0.00 55.06 54.14 1x1m s HIS 14 Cb -0.16 -0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 30.23 1x1m s HIS 14 CO 0.09 0.06 -0.03 -1.17 -2.00 0.00 0.00 174.74 171.69 1x1m s LEU 15 N -1.52 2.33 -0.11 5.38 2.96 -0.57 -2.35 118.68 124.79 1x1m s LEU 15 Ca 0.00 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.15 1x1m s LEU 15 Cb -0.09 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 1x1m s LEU 15 CO 0.02 -0.42 0.14 0.00 -1.32 0.00 0.00 176.35 174.77 1x1m s ALA 16 N -2.43 3.87 -0.13 5.97 0.00 -0.78 0.21 121.76 128.47 1x1m s ALA 16 Ca -0.07 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1x1m s ALA 16 Cb -0.03 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1x1m s ALA 16 CO -0.05 0.62 -0.20 0.08 0.00 0.00 0.00 175.76 176.22 1x1m s VAL 17 N -1.04 1.90 -0.03 0.00 1.01 0.24 -1.81 120.40 120.68 1x1m s VAL 17 Ca 0.15 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1x1m s VAL 17 Cb -0.12 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1x1m s VAL 17 CO 0.05 0.52 -0.25 -0.54 0.00 0.00 0.00 175.10 174.87 1x1m s LYS 18 N 0.85 2.20 -0.59 2.72 -0.14 0.21 -0.46 119.74 124.53 1x1m s LYS 18 Ca -0.07 -0.91 -0.21 0.00 -1.36 0.00 0.00 55.97 53.42 1x1m s LYS 18 Cb -0.15 -2.04 0.07 0.00 -1.68 0.00 0.00 37.83 34.03 1x1m s LYS 18 CO -0.02 0.50 0.81 -1.17 -0.76 0.00 0.00 175.35 174.71 1x1m s LEU 19 N -0.47 4.74 0.32 3.17 2.96 -1.26 -1.25 118.68 126.88 1x1m s LEU 19 Ca 0.06 -0.98 0.07 0.00 -0.22 0.00 0.00 54.13 53.06 1x1m s LEU 19 Cb -0.11 -2.46 0.78 0.00 0.50 0.00 0.00 46.19 44.90 1x1m s LEU 19 CO 0.00 -1.19 1.78 0.00 -1.32 0.00 0.00 176.35 175.63 1x1m h ALA 20 N 9.29 1.74 -0.79 5.97 0.00 -1.78 0.14 119.26 133.82 1x1m h ALA 20 Ca -0.28 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1x1m h ALA 20 Cb 1.08 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1x1m h ALA 20 CO 1.09 -0.10 0.52 0.22 0.00 0.00 0.00 179.25 180.98 1x1m h ASP 21 N 0.73 0.79 -4.12 0.00 1.82 -1.91 -3.33 116.42 110.39 1x1m h ASP 21 Ca 0.57 -0.00 -0.65 0.00 -0.39 0.00 0.00 57.03 56.56 1x1m h ASP 21 Cb 0.93 -0.17 -0.40 0.00 0.68 0.00 0.00 39.33 40.37 1x1m h ASP 21 CO -0.36 0.52 -0.65 -1.10 -1.61 0.00 0.00 179.24 176.04 1x1m s GLN 22 N -5.79 1.82 0.00 0.28 -0.21 0.48 -4.94 119.66 111.31 1x1m s GLN 22 Ca -0.11 -2.35 0.14 0.00 0.02 0.00 0.00 55.36 53.07 1x1m s GLN 22 Cb 0.19 -3.30 0.65 0.00 1.00 0.00 0.00 33.01 31.55 1x1m s GLN 22 CO 0.78 -1.05 1.44 -0.35 -2.12 0.00 0.00 175.29 173.99 1x1m n PRO 23 N 3.54 0.06 -0.10 2.91 -0.04 -1.24 -2.69 135.00 137.44 1x1m n PRO 23 Ca 0.05 0.22 -0.14 0.00 -0.04 0.00 0.00 63.50 63.59 1x1m n PRO 23 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.44 1.40 -4.37 1.53 4.77 -1.26 -4.99 117.00 112.64 1x1m n LEU 24 Ca 0.04 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 1x1m n LEU 24 Cb 0.15 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1x1m n LEU 24 CO 0.13 0.69 -0.23 0.00 -1.33 0.00 0.00 177.39 176.65 1x1m n ALA 25 N -2.96 -2.09 -1.14 -1.18 0.00 -1.09 -4.95 120.51 107.09 1x1m n ALA 25 Ca -0.37 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 1x1m n ALA 25 Cb 1.08 -1.67 0.19 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.00 -0.04 0.39 0.00 0.04 -1.26 -4.90 135.00 127.23 1x1m s PRO 26 Ca 0.62 0.36 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 1x1m s PRO 26 Cb -0.41 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1x1m s PRO 26 CO 0.61 -3.01 0.80 0.21 0.04 0.00 0.00 177.00 175.65 1x1m s LYS 27 N -5.06 3.94 -0.27 4.56 2.20 -1.26 -4.73 119.74 119.12 1x1m s LYS 27 Ca 0.67 0.68 0.01 0.00 -0.36 0.00 0.00 55.97 56.97 1x1m s LYS 27 Cb -0.17 -2.35 0.07 0.00 -1.51 0.00 0.00 37.83 33.87 1x1m s LYS 27 CO 0.57 0.02 -0.02 -1.54 -0.36 0.00 0.00 175.35 174.02 1x1m s SER 28 N -2.67 4.08 -0.19 1.43 1.04 0.39 -4.93 113.70 112.85 1x1m s SER 28 Ca 0.55 -1.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.25 1x1m s SER 28 Cb -0.10 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.77 1x1m s SER 28 CO 0.23 -0.28 1.09 -0.63 0.98 0.00 0.00 173.24 174.64 1x1m s ILE 29 N 1.31 4.59 -0.07 -1.02 -1.09 -1.26 0.82 121.20 124.48 1x1m s ILE 29 Ca -0.01 1.91 -0.03 0.00 -2.23 0.00 0.00 60.65 60.29 1x1m s ILE 29 Cb -0.19 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1x1m s ILE 29 CO -0.09 -0.14 0.07 -0.22 -1.23 0.00 0.00 174.94 173.33 1x1m s LEU 30 N 3.07 3.92 -0.39 2.97 2.96 0.13 -4.94 118.68 126.40 1x1m s LEU 30 Ca 0.47 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 1x1m s LEU 30 Cb -0.17 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.58 1x1m s LEU 30 CO 0.10 0.35 0.13 -1.10 -1.32 0.00 0.00 176.35 174.51 1x1m s GLN 31 N -1.22 1.51 0.66 1.98 -0.21 -1.26 -1.51 119.66 119.61 1x1m s GLN 31 Ca 0.17 -2.00 -0.17 0.00 0.02 0.00 0.00 55.36 53.38 1x1m s GLN 31 Cb -0.12 -3.03 -0.00 0.00 1.00 0.00 0.00 33.01 30.86 1x1m s GLN 31 CO 0.07 -1.01 1.22 -0.48 -2.12 0.00 0.00 175.29 172.97 1x1m s LEU 32 N 0.61 3.51 0.89 2.90 0.05 -1.26 -5.00 118.68 120.38 1x1m s LEU 32 Ca 0.13 2.42 -0.11 0.00 0.05 0.00 0.00 54.13 56.61 1x1m s LEU 32 Cb -0.21 -4.60 0.12 0.00 -2.05 0.00 0.00 46.19 39.45 1x1m s LEU 32 CO -0.07 -1.92 1.09 -2.16 -0.55 0.00 0.00 176.35 172.74 1x1m s PRO 33 N -3.58 1.32 0.75 1.48 0.04 -1.26 -4.86 135.00 128.90 1x1m s PRO 33 Ca 0.77 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1x1m s PRO 33 Cb -0.31 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1x1m s PRO 33 CO 0.39 -2.20 1.08 -1.21 0.04 0.00 0.00 177.00 175.10 1x1m s GLU 34 N -4.93 2.46 0.04 4.56 8.01 -1.26 -5.08 118.70 122.50 1x1m s GLU 34 Ca 0.63 0.84 0.04 0.00 0.01 0.00 0.00 54.97 56.50 1x1m s GLU 34 Cb -0.18 -1.94 -0.02 0.00 -4.31 0.00 0.00 34.13 27.68 1x1m s GLU 34 CO 0.57 -1.41 -0.13 -0.08 0.01 0.00 0.00 175.26 174.23 1x1m s THR 35 N -3.07 0.98 0.30 3.63 -1.32 -1.26 -5.03 115.64 109.87 1x1m s THR 35 Ca 0.60 -0.97 0.04 0.00 -1.21 0.00 0.00 61.69 60.15 1x1m s THR 35 Cb -0.15 -0.91 0.30 0.00 -1.51 0.00 0.00 72.50 70.23 1x1m s THR 35 CO 0.55 -0.05 1.84 1.05 -2.21 0.00 0.00 174.62 175.81 1x1m h GLU 36 N 4.93 0.87 -0.94 7.08 4.11 -2.06 -2.37 114.58 126.20 1x1m h GLU 36 Ca -0.37 -0.05 0.15 0.00 0.07 0.00 0.00 59.36 59.16 1x1m h GLU 36 Cb 1.18 -0.20 -0.16 0.00 0.50 0.00 0.00 28.75 30.08 1x1m h GLU 36 CO 0.44 0.58 -0.36 -0.07 0.07 0.00 0.00 179.01 179.67 1x1m h LEU 37 N 0.90 -1.32 0.00 3.06 -0.00 -2.01 -3.47 115.31 112.47 1x1m h LEU 37 Ca 0.49 0.30 0.00 0.00 -0.00 0.00 0.00 57.88 58.66 1x1m h LEU 37 Cb 0.57 0.71 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1x1m h LEU 37 CO -0.25 -0.30 0.00 0.61 -0.00 0.00 0.00 178.44 178.50 1x1m n GLY 38 N -1.49 -0.03 0.12 0.83 0.00 -0.90 -4.96 105.19 98.77 1x1m n GLY 38 Ca 0.10 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 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 0.70 -0.98 1.61 -0.00 -1.26 -4.49 120.64 116.21 1x1m n GLU 39 Ca 0.00 0.20 -0.36 0.00 -0.00 0.00 0.00 57.16 57.01 1x1m n GLU 39 Cb 0.00 -1.64 0.04 0.00 -0.00 0.00 0.00 31.44 29.84 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 -3.28 -4.88 -0.94 -1.84 4.11 -1.26 -4.29 117.16 104.78 1x1m n TYR 40 Ca -0.34 0.01 -0.33 0.00 -0.00 0.00 0.00 57.90 57.24 1x1m n TYR 40 Cb 1.04 -1.40 -0.09 0.00 -0.00 0.00 0.00 39.34 38.89 1x1m n TYR 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1x1m n SER 41 N 3.43 0.32 -0.19 9.48 2.88 -1.26 -4.76 113.62 123.52 1x1m n SER 41 Ca -0.02 0.25 -0.05 0.00 -1.33 0.00 0.00 58.87 57.72 1x1m n SER 41 Cb 0.56 -0.61 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 1x1m n SER 41 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1m n LEU 42 N 6.27 -0.47 -3.64 2.46 4.77 -1.26 -4.84 117.00 120.28 1x1m n LEU 42 Ca 0.41 1.29 -0.29 0.00 -0.03 0.00 0.00 56.01 57.39 1x1m n LEU 42 Cb 0.00 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1x1m n LEU 42 CO 0.62 -0.89 -0.23 0.61 -1.33 0.00 0.00 177.39 176.16 1x1m n GLY 43 N -1.11 -0.75 0.00 -0.72 0.00 -1.26 -4.71 105.19 96.64 1x1m n GLY 43 Ca 0.01 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.06 0.19 3.58 -0.02 0.00 -1.26 -4.84 105.19 101.77 1x1m n GLY 44 Ca -0.21 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 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 1.16 -3.16 1.61 4.01 -1.26 -4.73 117.16 114.79 1x1m n TYR 45 Ca 0.00 0.72 -0.39 0.00 -0.16 0.00 0.00 57.90 58.06 1x1m n TYR 45 Cb 0.00 -2.24 -0.06 0.00 -0.31 0.00 0.00 39.34 36.74 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1x1m s SER 46 N -0.48 6.74 0.28 7.72 1.04 -1.26 -2.68 113.70 125.05 1x1m s SER 46 Ca 0.62 0.89 0.08 0.00 0.48 0.00 0.00 55.95 58.02 1x1m s SER 46 Cb -0.74 -2.34 0.85 0.00 0.10 0.00 0.00 66.02 63.88 1x1m s SER 46 CO 0.58 -0.16 1.32 -0.38 0.98 0.00 0.00 173.24 175.58 1x1m n ILE 47 N 4.23 -0.35 -0.21 -1.02 2.08 -1.19 0.13 119.36 123.03 1x1m n ILE 47 Ca -0.03 1.79 0.01 0.00 0.56 0.00 0.00 62.75 65.08 1x1m n ILE 47 Cb 0.51 -2.73 0.11 0.00 -0.75 0.00 0.00 39.64 36.78 1x1m n ILE 47 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1x1m h SER 48 N 0.00 -0.26 -0.12 4.38 4.64 -1.80 -2.47 113.55 117.92 1x1m h SER 48 Ca 0.59 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 62.08 1x1m h SER 48 Cb 1.40 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.73 1x1m h SER 48 CO -0.73 -0.11 -0.23 0.15 -0.87 0.00 0.00 176.83 175.04 1x1m h PHE 49 N 0.13 -0.71 -0.60 4.77 3.57 0.64 -2.61 116.94 122.13 1x1m h PHE 49 Ca 0.33 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.92 1x1m h PHE 49 Cb 0.54 0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.51 1x1m h PHE 49 CO -0.36 -0.22 -0.53 -0.07 -2.23 0.00 0.00 178.31 174.90 1x1m h LEU 50 N -0.21 -1.83 -1.60 0.59 3.38 -1.50 0.54 115.31 114.67 1x1m h LEU 50 Ca 0.02 0.26 0.47 0.00 0.09 0.00 0.00 57.88 58.72 1x1m h LEU 50 Cb 0.27 0.78 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 1x1m h LEU 50 CO -0.22 -0.31 1.15 0.29 0.09 0.00 0.00 178.44 179.44 1x1m n LYS 51 N -5.12 -0.00 0.03 1.13 5.02 -0.99 0.24 118.16 118.47 1x1m n LYS 51 Ca -0.01 0.90 -0.19 0.00 -2.02 0.00 0.00 58.31 56.98 1x1m n LYS 51 Cb 0.28 -2.05 -0.14 0.00 -0.02 0.00 0.00 35.03 33.10 1x1m n LYS 51 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1x1m h GLN 52 N 0.00 0.30 0.15 1.97 4.20 0.29 -2.80 115.11 119.22 1x1m h GLN 52 Ca 0.77 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1x1m h GLN 52 Cb 3.07 0.17 0.00 0.00 0.30 0.00 0.00 27.48 31.02 1x1m h GLN 52 CO -0.03 1.20 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.19 1x1m h LEU 53 N -0.35 -0.17 0.48 1.46 4.07 0.34 -1.80 115.31 119.35 1x1m h LEU 53 Ca -0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 1x1m h LEU 53 Cb 1.54 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.31 1x1m h LEU 53 CO 0.14 -0.03 -0.35 0.40 -1.08 0.00 0.00 178.44 177.51 1x1m h ILE 54 N -0.30 0.28 -1.01 1.22 5.03 -1.29 -1.05 117.51 120.38 1x1m h ILE 54 Ca -0.02 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 64.96 1x1m h ILE 54 Cb 0.24 0.28 -0.10 0.00 -3.03 0.00 0.00 36.82 34.20 1x1m h ILE 54 CO 0.03 0.00 0.64 0.00 -0.68 0.00 0.00 178.15 178.14 1x1m h ALA 55 N -0.42 2.03 -0.05 1.87 0.00 -1.50 0.47 119.26 121.67 1x1m h ALA 55 Ca -0.05 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1x1m h ALA 55 Cb 0.69 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x1m h ALA 55 CO 0.01 -0.43 -0.60 0.78 0.00 0.00 0.00 179.25 179.01 1x1m h GLY 56 N 0.50 0.18 1.79 0.00 0.00 -0.75 -1.94 103.07 102.85 1x1m h GLY 56 Ca 0.59 -0.22 -0.23 0.00 0.00 0.00 0.00 47.33 47.47 1x1m h GLY 56 CO -0.34 0.19 -1.14 0.50 0.00 0.00 0.00 176.54 175.75 1x1m h LYS 57 N 0.12 0.01 -0.74 4.80 1.79 0.81 -3.27 116.57 120.08 1x1m h LYS 57 Ca -0.01 -0.01 -0.28 0.00 -2.18 0.00 0.00 60.65 58.17 1x1m h LYS 57 Cb 1.09 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.58 1x1m h LYS 57 CO 0.09 0.91 0.32 1.28 -1.08 0.00 0.00 179.45 180.97 1x1m n LEU 58 N -3.30 5.94 0.27 2.94 4.77 0.13 -4.59 117.00 123.16 1x1m n LEU 58 Ca -0.03 -3.37 0.11 0.00 -0.03 0.00 0.00 56.01 52.68 1x1m n LEU 58 Cb 0.96 -0.75 0.58 0.00 -2.33 0.00 0.00 43.42 41.89 1x1m n LEU 58 CO 0.47 0.91 1.00 1.56 -1.33 0.00 0.00 177.39 180.00 1x1m h GLN 59 N 2.02 0.00 -0.86 3.23 4.20 -1.41 0.44 115.11 122.74 1x1m h GLN 59 Ca 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 1x1m h GLN 59 Cb 2.36 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 30.10 1x1m h GLN 59 CO 0.77 0.00 0.42 1.05 -0.67 0.00 0.00 178.83 180.40 1x1m h GLU 60 N 0.00 1.23 0.00 1.46 4.11 -1.87 -3.36 114.58 116.15 1x1m h GLU 60 Ca 0.00 -0.18 -0.13 0.00 0.07 0.00 0.00 59.36 59.13 1x1m h GLU 60 Cb 0.75 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1x1m h GLU 60 CO 0.00 0.94 -1.46 0.43 0.07 0.00 0.00 179.01 178.99 1x1m n SER 61 N -4.31 2.47 -4.65 3.06 7.64 0.29 -4.98 113.62 113.14 1x1m n SER 61 Ca 0.09 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.55 1x1m n SER 61 Cb 0.14 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 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 -2.16 3.87 -0.02 0.44 1.01 0.13 -4.92 120.40 118.74 1x1m s VAL 62 Ca -0.11 1.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.65 1x1m s VAL 62 Cb 0.03 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.51 1x1m s VAL 62 CO 0.17 -0.14 1.22 1.55 0.00 0.00 0.00 175.10 177.91 1x1m h PRO 63 N 9.23 -0.07 -2.93 2.72 0.13 -1.86 -3.38 132.00 135.84 1x1m h PRO 63 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 1x1m h PRO 63 Cb 1.14 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 1x1m h PRO 63 CO 0.97 0.39 -0.18 -0.51 -0.23 0.00 0.00 178.00 178.44 1x1m s ASP 64 N -5.60 -0.26 0.45 1.44 1.01 -1.26 -5.04 116.67 107.42 1x1m s ASP 64 Ca -0.15 0.12 0.30 0.00 0.71 0.00 0.00 52.55 53.53 1x1m s ASP 64 Cb 0.02 0.36 1.26 0.00 1.01 0.00 0.00 42.92 45.57 1x1m s ASP 64 CO 0.64 -0.52 1.89 1.55 0.21 0.00 0.00 175.17 178.94 1x1m h PRO 65 N 3.53 0.00 0.01 8.23 0.13 -1.90 -2.85 132.00 139.15 1x1m h PRO 65 Ca -0.30 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.41 0.00 -1.52 0.93 -0.23 0.00 0.00 178.00 177.59 1x1m h GLU 66 N 0.00 0.03 -0.94 0.86 5.08 -1.96 -3.32 114.58 114.33 1x1m h GLU 66 Ca 0.00 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1x1m h GLU 66 Cb 0.44 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 1x1m h GLU 66 CO 0.00 0.70 0.23 1.28 -1.00 0.00 0.00 179.01 180.22 1x1m n LEU 67 N -3.17 4.38 -4.18 1.33 4.77 -1.08 -4.87 117.00 114.17 1x1m n LEU 67 Ca -0.13 -2.28 -0.13 0.00 -0.03 0.00 0.00 56.01 53.45 1x1m n LEU 67 Cb 1.02 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 1x1m n LEU 67 CO 0.46 0.67 -0.16 0.27 -1.33 0.00 0.00 177.39 177.30 1x1m s ILE 68 N -1.68 0.00 0.22 -0.08 -5.25 -1.23 -1.11 121.20 112.07 1x1m s ILE 68 Ca 0.27 -1.91 -0.02 0.00 -0.99 0.00 0.00 60.65 58.00 1x1m s ILE 68 Cb 0.22 -2.47 -0.03 0.00 2.95 0.00 0.00 42.46 43.13 1x1m s ILE 68 CO 0.06 0.00 0.19 -1.81 -1.79 0.00 0.00 174.94 171.59 1x1m s ASP 69 N -3.17 0.25 -0.09 4.36 1.01 -0.72 -4.76 116.67 113.55 1x1m s ASP 69 Ca 0.37 -1.36 0.03 0.00 0.71 0.00 0.00 52.55 52.29 1x1m s ASP 69 Cb 0.05 0.43 -0.01 0.00 1.01 0.00 0.00 42.92 44.40 1x1m s ASP 69 CO 0.14 -0.91 -0.18 -0.22 0.21 0.00 0.00 175.17 174.21 1x1m s LEU 70 N -3.16 2.46 -0.10 1.23 2.96 -1.26 -3.00 118.68 117.82 1x1m s LEU 70 Ca 0.37 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1x1m s LEU 70 Cb 0.06 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.24 1x1m s LEU 70 CO 0.13 0.22 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.55 1x1m s ILE 71 N 0.02 1.79 -0.04 6.68 -1.09 0.45 -1.76 121.20 127.26 1x1m s ILE 71 Ca -0.06 -0.86 -0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1x1m s ILE 71 Cb -0.15 -1.57 0.01 0.00 -1.58 0.00 0.00 42.46 39.17 1x1m s ILE 71 CO 0.05 0.50 0.10 -0.47 -1.23 0.00 0.00 174.94 173.89 1x1m s TYR 72 N 0.51 -0.10 -1.46 3.97 6.14 0.23 -0.72 117.35 125.92 1x1m s TYR 72 Ca -0.16 0.24 -0.10 0.00 0.64 0.00 0.00 57.07 57.69 1x1m s TYR 72 Cb -0.17 0.03 0.05 0.00 0.42 0.00 0.00 41.96 42.29 1x1m s TYR 72 CO 0.06 -0.07 0.84 0.00 0.64 0.00 0.00 175.55 177.02 1x1m n GLY 74 N -1.61 -0.36 3.55 0.00 0.00 -1.26 -4.98 105.19 100.53 1x1m n GLY 74 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.13 0.70 0.49 1.61 1.70 -0.13 -5.16 118.95 113.04 1x1m s ARG 75 Ca 0.10 1.01 -0.21 0.00 -0.47 0.00 0.00 55.73 56.15 1x1m s ARG 75 Cb -0.04 0.24 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 1x1m s ARG 75 CO 0.12 -0.12 1.15 0.21 -1.08 0.00 0.00 175.30 175.58 1x1m s LYS 76 N 0.95 3.59 -0.17 3.89 2.20 -1.26 -0.60 119.74 128.33 1x1m s LYS 76 Ca -0.05 1.72 -0.03 0.00 -0.36 0.00 0.00 55.97 57.25 1x1m s LYS 76 Cb -0.05 -2.24 -0.02 0.00 -1.51 0.00 0.00 37.83 34.01 1x1m s LYS 76 CO -0.09 -0.68 -0.05 -0.51 -0.36 0.00 0.00 175.35 173.66 1x1m s LEU 77 N -3.35 3.05 1.31 5.43 1.43 -0.72 -4.87 118.68 120.96 1x1m s LEU 77 Ca 0.67 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 1x1m s LEU 77 Cb -0.27 -1.74 0.33 0.00 0.03 0.00 0.00 46.19 44.54 1x1m s LEU 77 CO 0.32 0.11 0.98 -1.59 0.23 0.00 0.00 176.35 176.39 1x1m s LYS 78 N 0.69 -2.04 -0.09 1.70 -2.85 -1.26 -4.65 119.74 111.25 1x1m s LYS 78 Ca -0.03 0.44 0.19 0.00 -1.00 0.00 0.00 55.97 55.57 1x1m s LYS 78 Cb -0.15 -1.46 0.69 0.00 -2.06 0.00 0.00 37.83 34.86 1x1m s LYS 78 CO 0.02 -4.36 1.60 -0.25 0.10 0.00 0.00 175.35 172.46 1x1m n ASP 79 N -5.31 4.56 -0.00 0.03 8.00 -1.26 -4.10 116.55 118.47 1x1m n ASP 79 Ca 0.08 -2.37 0.02 0.00 0.71 0.00 0.00 54.79 53.22 1x1m n ASP 79 Cb 0.57 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1x1m n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x1m n ASP 80 N 1.15 0.20 -3.93 -2.24 2.03 -1.26 -4.29 116.55 108.21 1x1m n ASP 80 Ca 0.25 -0.60 -0.21 0.00 0.52 0.00 0.00 54.79 54.75 1x1m n ASP 80 Cb 0.83 0.99 0.12 0.00 -0.72 0.00 0.00 41.12 42.35 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 -1.08 -0.37 -4.36 -0.67 1.13 -1.26 -4.97 117.38 105.80 1x1m n GLN 81 Ca 0.01 -2.07 -0.18 0.00 -1.94 0.00 0.00 57.00 52.81 1x1m n GLN 81 Cb 0.06 -0.75 -0.10 0.00 0.11 0.00 0.00 30.24 29.55 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 -2.84 1.33 0.35 5.09 -4.23 -1.26 -3.16 115.64 110.92 1x1m s THR 82 Ca 0.58 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1x1m s THR 82 Cb -0.03 -2.31 0.30 0.00 1.34 0.00 0.00 72.50 71.81 1x1m s THR 82 CO 0.39 -0.38 1.91 -0.07 -0.54 0.00 0.00 174.62 175.93 1x1m h LEU 83 N 2.44 0.71 0.05 4.79 -0.00 -1.80 -2.51 115.31 118.99 1x1m h LEU 83 Ca -0.39 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1x1m h LEU 83 Cb 1.22 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1x1m h LEU 83 CO 0.65 0.42 -0.02 -0.78 -0.00 0.00 0.00 178.44 178.70 1x1m h ASP 84 N 0.79 -0.06 -0.70 -0.43 3.58 -1.88 0.23 116.42 117.95 1x1m h ASP 84 Ca 0.39 -0.49 0.09 0.00 0.42 0.00 0.00 57.03 57.44 1x1m h ASP 84 Cb 0.46 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.42 1x1m h ASP 84 CO -0.16 0.48 -0.33 0.33 -2.88 0.00 0.00 179.24 176.68 1x1m n PHE 85 N -4.86 -0.12 0.09 0.28 7.35 -0.95 0.16 117.46 119.41 1x1m n PHE 85 Ca -0.09 0.87 -0.06 0.00 -0.76 0.00 0.00 57.45 57.41 1x1m n PHE 85 Cb 0.28 -0.67 -0.01 0.00 0.35 0.00 0.00 39.48 39.42 1x1m n PHE 85 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1x1m h TYR 86 N 0.00 0.10 -0.13 -5.13 0.05 -1.63 -3.48 116.97 106.75 1x1m h TYR 86 Ca 0.19 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.91 1x1m h TYR 86 Cb 0.36 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1x1m h TYR 86 CO -0.66 0.90 0.00 0.41 -1.05 0.00 0.00 178.16 177.76 1x1m n GLY 87 N 0.92 1.16 3.73 3.88 0.00 0.43 -5.07 105.19 110.24 1x1m n GLY 87 Ca -0.02 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.13 4.70 0.19 -0.61 1.01 0.74 -4.99 121.20 120.10 1x1m s ILE 88 Ca 0.00 1.90 0.08 0.00 0.00 0.00 0.00 60.65 62.63 1x1m s ILE 88 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1x1m s ILE 88 CO 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 174.94 175.18 1x1m s GLN 89 N 0.31 2.25 -1.19 2.79 0.00 -1.26 -4.68 119.66 117.87 1x1m s GLN 89 Ca 0.45 -1.20 -0.23 0.00 -0.00 0.00 0.00 55.36 54.38 1x1m s GLN 89 Cb -0.21 -2.26 -0.09 0.00 0.00 0.00 0.00 33.01 30.45 1x1m s GLN 89 CO 0.27 0.44 1.94 -0.35 0.00 0.00 0.00 175.29 177.58 1x1m n PRO 90 N -0.13 1.60 0.00 9.60 -0.04 -1.26 -2.73 135.00 142.04 1x1m n PRO 90 Ca -0.10 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1x1m n PRO 90 Cb 0.56 -3.74 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 5.78 0.12 1.79 0.55 0.00 -0.99 -4.55 105.19 107.88 1x1m n GLY 91 Ca 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 1x1m n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1m n SER 92 N 0.00 -2.32 -3.84 1.61 7.64 -1.10 -4.55 113.62 111.06 1x1m n SER 92 Ca 0.00 -0.68 -0.26 0.00 1.01 0.00 0.00 58.87 58.95 1x1m n SER 92 Cb 0.00 -0.53 -0.17 0.00 -1.01 0.00 0.00 64.21 62.50 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x1m s THR 93 N -1.84 0.77 -0.03 0.44 2.01 -1.26 -1.87 115.64 113.86 1x1m s THR 93 Ca 0.37 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 1x1m s THR 93 Cb -0.05 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1x1m s THR 93 CO 0.29 0.25 0.16 0.68 -0.69 0.00 0.00 174.62 175.31 1x1m s VAL 94 N 1.80 5.35 0.01 3.82 -7.23 -0.75 -4.83 120.40 118.56 1x1m s VAL 94 Ca 0.04 -0.11 -0.01 0.00 -1.81 0.00 0.00 61.98 60.08 1x1m s VAL 94 Cb -0.13 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1x1m s VAL 94 CO -0.07 0.40 0.14 -1.00 -0.31 0.00 0.00 175.10 174.26 1x1m s HIS 95 N -1.24 3.43 -0.09 2.82 3.76 0.10 -0.62 115.29 123.46 1x1m s HIS 95 Ca 0.24 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.44 1x1m s HIS 95 Cb -0.12 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1x1m s HIS 95 CO 0.15 0.60 -0.12 0.08 -0.85 0.00 0.00 174.74 174.60 1x1m s VAL 96 N -1.31 3.23 -0.12 -0.90 1.01 -0.38 -0.41 120.40 121.52 1x1m s VAL 96 Ca 0.27 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1x1m s VAL 96 Cb -0.12 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1x1m s VAL 96 CO 0.18 0.56 -0.10 -0.22 0.00 0.00 0.00 175.10 175.53 1x1m s LEU 97 N -0.31 1.38 -0.07 3.92 1.98 -1.16 -2.19 118.68 122.21 1x1m s LEU 97 Ca 0.03 -0.35 -0.30 0.00 -2.89 0.00 0.00 54.13 50.62 1x1m s LEU 97 Cb -0.13 -0.93 -0.04 0.00 0.66 0.00 0.00 46.19 45.75 1x1m s LEU 97 CO 0.03 -0.08 1.49 -0.13 -1.89 0.00 0.00 176.35 175.77 1x1m s ARG 98 N 1.51 4.21 0.80 1.98 3.00 -1.26 -1.76 118.95 127.43 1x1m s ARG 98 Ca 0.02 2.00 -0.15 0.00 0.00 0.00 0.00 55.73 57.60 1x1m s ARG 98 Cb -0.13 -3.84 -0.03 0.00 0.00 0.00 0.00 34.95 30.95 1x1m s ARG 98 CO -0.07 -0.76 0.36 1.63 0.00 0.00 0.00 175.30 176.46 1x1m n LYS 99 N 6.63 0.10 -0.79 3.54 5.02 -0.27 -4.78 118.16 127.61 1x1m n LYS 99 Ca 0.15 0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.45 1x1m n LYS 99 Cb 0.43 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 1x1m n LYS 99 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x1m n SER 100 N -0.13 5.29 -0.15 4.39 2.88 -1.26 -4.69 113.62 119.95 1x1m n SER 100 Ca 0.08 -2.45 -0.04 0.00 -1.33 0.00 0.00 58.87 55.13 1x1m n SER 100 Cb 0.51 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 1x1m n SER 100 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1x1m n TRP 101 N 2.07 -0.15 -3.93 0.66 -0.00 -1.26 -4.87 117.44 109.96 1x1m n TRP 101 Ca 0.25 0.43 0.01 0.00 -0.00 0.00 0.00 57.50 58.19 1x1m n TRP 101 Cb 0.74 -0.48 0.01 0.00 -0.00 0.00 0.00 31.31 31.58 1x1m n TRP 101 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1x1m s SER 102 N -3.99 -0.00 -0.53 5.87 0.01 -1.26 -5.11 113.70 108.68 1x1m s SER 102 Ca -0.04 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1x1m s SER 102 Cb 0.04 0.24 0.14 0.00 0.21 0.00 0.00 66.02 66.64 1x1m s SER 102 CO 0.21 -0.48 0.28 -0.83 0.41 0.00 0.00 173.24 172.84 1x1m s GLY 103 N -3.63 2.39 0.00 3.44 0.00 -1.26 -4.93 107.32 103.33 1x1m s GLY 103 Ca 0.26 -3.24 0.12 0.00 0.00 0.00 0.00 44.72 41.86 1x1m s GLY 103 CO 0.01 1.10 1.15 -1.55 0.00 0.00 0.00 173.10 173.80 1x1m n PRO 104 N 3.04 0.49 -0.08 2.90 -0.04 -1.26 -2.96 135.00 137.09 1x1m n PRO 104 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1x1m n PRO 104 Cb 0.33 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 1x1m n PRO 104 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x1m h SER 105 N 0.00 0.08 -3.63 3.54 0.87 -2.08 -3.44 113.55 108.88 1x1m h SER 105 Ca 0.00 -0.65 -0.61 0.00 -1.23 0.00 0.00 61.79 59.29 1x1m h SER 105 Cb 0.00 -0.03 -0.38 0.00 -0.44 0.00 0.00 62.40 61.55 1x1m h SER 105 CO 0.00 1.47 -0.78 -0.55 -0.53 0.00 0.00 176.83 176.43 1x1m s SER 106 N -6.80 3.91 0.00 6.23 0.15 -1.16 -5.34 113.70 110.69 1x1m s SER 106 Ca -0.26 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.16 1x1m s SER 106 Cb 0.04 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1x1m s SER 106 CO 0.64 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.45