#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 3.26 -0.05 1.61 0.01 -1.26 -5.14 113.70 112.14 1x1m s SER 2 Ca 0.00 -0.67 0.02 0.00 1.31 0.00 0.00 55.95 56.61 1x1m s SER 2 Cb 0.00 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1x1m s SER 2 CO 0.00 0.22 -0.07 -0.55 0.41 0.00 0.00 173.24 173.25 1x1m s SER 3 N -1.67 1.19 0.00 2.44 0.15 -1.26 -5.15 113.70 109.41 1x1m s SER 3 Ca 0.13 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1x1m s SER 3 Cb -0.10 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1x1m s SER 3 CO 0.04 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1x1m n GLY 4 N 3.92 2.23 3.40 9.45 0.00 -1.26 -5.15 105.19 117.78 1x1m n GLY 4 Ca -0.24 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 1x1m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1m s SER 5 N -0.88 -0.50 -0.04 1.61 0.15 -1.26 -5.16 113.70 107.62 1x1m s SER 5 Ca 0.00 0.84 -0.00 0.00 0.70 0.00 0.00 55.95 57.49 1x1m s SER 5 Cb 0.00 0.87 0.03 0.00 -1.71 0.00 0.00 66.02 65.20 1x1m s SER 5 CO 0.00 -0.28 0.01 -0.44 1.20 0.00 0.00 173.24 173.72 1x1m s SER 6 N -0.19 0.73 -0.33 5.45 0.01 -1.26 -5.10 113.70 113.01 1x1m s SER 6 Ca -0.04 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 1x1m s SER 6 Cb -0.03 -0.26 0.19 0.00 0.21 0.00 0.00 66.02 66.13 1x1m s SER 6 CO 0.03 -0.13 0.91 -0.83 0.41 0.00 0.00 173.24 173.62 1x1m s GLY 7 N 1.31 -1.32 -0.05 3.44 0.00 -1.26 -5.05 107.32 104.40 1x1m s GLY 7 Ca -0.06 1.20 -0.23 0.00 0.00 0.00 0.00 44.72 45.63 1x1m s GLY 7 CO -0.02 4.06 0.98 -0.33 0.00 0.00 0.00 173.10 177.78 1x1m h MET 8 N 6.44 -0.14 -2.77 2.90 2.07 -2.10 -3.48 114.93 117.84 1x1m h MET 8 Ca -0.03 0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.66 1x1m h MET 8 Cb 1.20 0.03 -0.11 0.00 -1.87 0.00 0.00 31.60 30.86 1x1m h MET 8 CO -0.02 0.35 0.31 -1.12 1.07 0.00 0.00 176.91 177.50 1x1m s SER 9 N -5.58 -0.42 -0.07 1.22 0.01 -1.26 -5.17 113.70 102.42 1x1m s SER 9 Ca -0.14 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1x1m s SER 9 Cb 0.00 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.79 1x1m s SER 9 CO 0.55 -0.96 -0.24 -0.76 0.41 0.00 0.00 173.24 172.24 1x1m s LEU 10 N -2.74 2.07 0.00 2.44 1.02 -1.26 -5.14 118.68 115.07 1x1m s LEU 10 Ca 0.05 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.72 1x1m s LEU 10 Cb -0.02 -1.37 0.04 0.00 0.02 0.00 0.00 46.19 44.87 1x1m s LEU 10 CO -0.07 0.21 0.35 -1.54 0.02 0.00 0.00 176.35 175.33 1x1m n SER 11 N 3.14 1.69 0.00 2.29 3.41 -1.26 -5.06 113.62 117.82 1x1m n SER 11 Ca -0.18 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1x1m n SER 11 Cb 0.52 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1x1m n SER 11 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x1m n ASP 12 N -2.22 2.56 -4.67 4.04 -0.08 -1.26 -5.04 116.55 109.87 1x1m n ASP 12 Ca 0.04 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.90 1x1m n ASP 12 Cb 0.37 0.14 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 1x1m n ASP 12 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1x1m s TRP 13 N -1.57 2.29 0.21 -0.67 -0.11 -1.26 -5.00 118.94 112.84 1x1m s TRP 13 Ca 0.00 0.38 0.04 0.00 1.22 0.00 0.00 56.10 57.73 1x1m s TRP 13 Cb 0.00 -3.86 -0.05 0.00 -1.50 0.00 0.00 33.47 28.06 1x1m s TRP 13 CO 0.00 -3.50 -0.02 -3.38 -4.62 0.00 0.00 176.95 165.43 1x1m s HIS 14 N 3.35 1.50 0.11 5.86 -3.43 -1.26 -3.71 115.29 117.70 1x1m s HIS 14 Ca 0.71 -0.89 -0.10 0.00 -0.80 0.00 0.00 55.06 53.98 1x1m s HIS 14 Cb -0.34 -0.85 0.00 0.00 -1.43 0.00 0.00 32.58 29.96 1x1m s HIS 14 CO 0.29 -0.01 0.25 -1.17 -2.00 0.00 0.00 174.74 172.10 1x1m s LEU 15 N -3.28 1.12 0.10 5.38 2.96 0.04 -4.31 118.68 120.69 1x1m s LEU 15 Ca 0.26 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1x1m s LEU 15 Cb 0.05 1.24 -0.04 0.00 0.50 0.00 0.00 46.19 47.94 1x1m s LEU 15 CO 0.07 -0.79 0.20 0.00 -1.32 0.00 0.00 176.35 174.51 1x1m s ALA 16 N -3.87 3.87 -0.03 5.97 0.00 -1.10 -0.01 121.76 126.60 1x1m s ALA 16 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1x1m s ALA 16 Cb 0.04 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.48 1x1m s ALA 16 CO -0.09 0.69 -0.05 0.08 0.00 0.00 0.00 175.76 176.39 1x1m s VAL 17 N -1.59 0.51 -0.06 0.00 1.01 0.82 -2.88 120.40 118.20 1x1m s VAL 17 Ca 0.33 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1x1m s VAL 17 Cb -0.12 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1x1m s VAL 17 CO 0.27 0.20 -0.11 -0.54 0.00 0.00 0.00 175.10 174.91 1x1m s LYS 18 N 0.56 1.55 -0.45 2.72 -0.14 -0.31 -1.95 119.74 121.72 1x1m s LYS 18 Ca -0.07 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 53.89 1x1m s LYS 18 Cb -0.11 -1.31 0.02 0.00 -1.68 0.00 0.00 37.83 34.75 1x1m s LYS 18 CO 0.00 0.00 1.30 -1.17 -0.76 0.00 0.00 175.35 174.72 1x1m s LEU 19 N 0.73 3.59 0.36 3.17 2.96 -1.26 -2.58 118.68 125.65 1x1m s LEU 19 Ca -0.14 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 1x1m s LEU 19 Cb -0.15 -3.52 0.69 0.00 0.50 0.00 0.00 46.19 43.70 1x1m s LEU 19 CO 0.03 -1.38 1.97 0.00 -1.32 0.00 0.00 176.35 175.66 1x1m h ALA 20 N 10.12 1.53 -0.15 5.97 0.00 -1.89 -1.88 119.26 132.96 1x1m h ALA 20 Ca -0.26 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1x1m h ALA 20 Cb 1.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x1m h ALA 20 CO 1.11 0.38 -0.22 0.22 0.00 0.00 0.00 179.25 180.74 1x1m h ASP 21 N 0.64 0.25 -3.56 0.00 3.58 -1.90 -3.37 116.42 112.07 1x1m h ASP 21 Ca 0.16 -0.07 -0.61 0.00 0.42 0.00 0.00 57.03 56.93 1x1m h ASP 21 Cb 0.07 -0.07 -0.40 0.00 1.72 0.00 0.00 39.33 40.65 1x1m h ASP 21 CO -0.02 0.49 -0.73 -1.10 -2.88 0.00 0.00 179.24 175.00 1x1m s GLN 22 N -4.53 1.27 0.00 0.28 -0.21 -0.71 -4.95 119.66 110.81 1x1m s GLN 22 Ca -0.05 -1.88 0.15 0.00 0.02 0.00 0.00 55.36 53.59 1x1m s GLN 22 Cb 0.15 -2.47 0.72 0.00 1.00 0.00 0.00 33.01 32.41 1x1m s GLN 22 CO 0.75 -1.10 1.41 -0.35 -2.12 0.00 0.00 175.29 173.88 1x1m n PRO 23 N 3.82 0.18 -0.04 2.91 -0.04 -1.22 -2.31 135.00 138.31 1x1m n PRO 23 Ca 0.06 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 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 -1.32 0.35 -4.61 1.53 4.77 -1.26 -4.97 117.00 111.49 1x1m n LEU 24 Ca 0.06 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.82 1x1m n LEU 24 Cb 0.13 0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1x1m n LEU 24 CO 0.12 0.32 0.52 0.00 -1.33 0.00 0.00 177.39 177.02 1x1m n ALA 25 N -2.56 0.12 -1.77 -1.18 0.00 -0.98 -4.94 120.51 109.20 1x1m n ALA 25 Ca -0.20 0.05 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 1x1m n ALA 25 Cb 0.97 -2.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.56 3.46 0.43 0.00 0.04 -1.26 -4.86 135.00 130.24 1x1m s PRO 26 Ca 0.72 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 63.19 1x1m s PRO 26 Cb -0.44 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 1x1m s PRO 26 CO 0.50 -0.77 1.06 0.21 0.04 0.00 0.00 177.00 178.03 1x1m s LYS 27 N -3.14 4.03 0.16 4.56 2.36 -1.26 -4.84 119.74 121.61 1x1m s LYS 27 Ca 0.71 1.50 0.11 0.00 -2.55 0.00 0.00 55.97 55.73 1x1m s LYS 27 Cb -0.25 -2.42 -0.04 0.00 -1.05 0.00 0.00 37.83 34.07 1x1m s LYS 27 CO 0.29 -0.25 -0.24 0.45 1.55 0.00 0.00 175.35 177.14 1x1m s SER 28 N -1.65 3.21 -0.18 1.43 0.15 -0.82 -4.96 113.70 110.88 1x1m s SER 28 Ca 0.61 -0.81 -0.03 0.00 0.70 0.00 0.00 55.95 56.42 1x1m s SER 28 Cb -0.21 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 1x1m s SER 28 CO 0.26 0.11 -0.07 -0.63 1.20 0.00 0.00 173.24 174.12 1x1m s ILE 29 N -1.48 3.34 0.11 6.45 -1.09 -1.26 -0.13 121.20 127.14 1x1m s ILE 29 Ca 0.17 -0.53 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 1x1m s ILE 29 Cb -0.08 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1x1m s ILE 29 CO 0.08 0.46 0.13 -0.22 -1.23 0.00 0.00 174.94 174.16 1x1m s LEU 30 N 0.98 3.92 -0.33 2.97 2.96 0.98 -4.92 118.68 125.25 1x1m s LEU 30 Ca -0.00 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1x1m s LEU 30 Cb -0.15 -2.56 0.11 0.00 0.50 0.00 0.00 46.19 44.09 1x1m s LEU 30 CO -0.00 0.13 0.13 -1.10 -1.32 0.00 0.00 176.35 174.18 1x1m s GLN 31 N -2.71 0.78 0.59 1.98 -0.21 -1.26 -0.78 119.66 118.04 1x1m s GLN 31 Ca 0.31 -1.22 -0.18 0.00 0.02 0.00 0.00 55.36 54.29 1x1m s GLN 31 Cb -0.11 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1x1m s GLN 31 CO 0.24 -1.03 1.14 -0.48 -2.12 0.00 0.00 175.29 173.04 1x1m s LEU 32 N 1.40 3.63 1.07 2.90 0.05 -1.24 -5.03 118.68 121.45 1x1m s LEU 32 Ca 0.11 2.17 -0.14 0.00 0.05 0.00 0.00 54.13 56.32 1x1m s LEU 32 Cb -0.19 -4.58 0.22 0.00 -2.05 0.00 0.00 46.19 39.60 1x1m s LEU 32 CO -0.20 -1.41 1.10 -2.16 -0.55 0.00 0.00 176.35 173.12 1x1m s PRO 33 N -3.52 -0.13 0.63 1.48 0.04 -1.26 -4.80 135.00 127.45 1x1m s PRO 33 Ca 0.72 0.33 -0.13 0.00 0.04 0.00 0.00 61.00 61.95 1x1m s PRO 33 Cb -0.24 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1x1m s PRO 33 CO 0.32 -3.06 1.05 -2.00 0.04 0.00 0.00 177.00 173.35 1x1m s GLU 34 N -5.09 3.24 0.40 4.56 2.12 -1.26 -5.06 118.70 117.61 1x1m s GLU 34 Ca 0.67 1.02 0.07 0.00 0.36 0.00 0.00 54.97 57.10 1x1m s GLU 34 Cb -0.16 -2.03 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 1x1m s GLU 34 CO 0.57 -0.86 0.15 -0.08 -0.54 0.00 0.00 175.26 174.51 1x1m s THR 35 N -2.81 2.35 0.28 -1.70 -1.32 -1.25 -5.02 115.64 106.18 1x1m s THR 35 Ca 0.60 -1.74 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 1x1m s THR 35 Cb -0.14 -2.98 0.27 0.00 -1.51 0.00 0.00 72.50 68.14 1x1m s THR 35 CO 0.46 -0.03 1.74 1.05 -2.21 0.00 0.00 174.62 175.63 1x1m h GLU 36 N 1.48 0.55 0.00 7.08 4.11 -1.97 -3.00 114.58 122.83 1x1m h GLU 36 Ca -0.43 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1x1m h GLU 36 Cb 1.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1x1m h GLU 36 CO 0.70 0.37 0.00 1.28 0.07 0.00 0.00 179.01 181.43 1x1m n LEU 37 N -4.91 0.12 0.00 3.06 7.99 -1.26 -5.06 117.00 116.94 1x1m n LEU 37 Ca 0.21 0.80 0.00 0.00 -0.01 0.00 0.00 56.01 57.00 1x1m n LEU 37 Cb 0.55 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1x1m n LEU 37 CO 0.18 -0.39 0.00 0.61 -1.51 0.00 0.00 177.39 176.28 1x1m n GLY 38 N -0.33 -0.65 0.00 -0.72 0.00 -1.14 -5.01 105.19 97.34 1x1m n GLY 38 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 2.25 0.21 1.61 0.00 -1.26 -3.75 120.64 119.69 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 -1.01 0.47 0.00 0.00 0.00 0.00 31.44 30.89 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 -1.24 -1.84 -0.00 -2.02 -3.42 116.97 108.46 1x1m h TYR 40 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 58.73 58.89 1x1m h TYR 40 Cb 1.03 0.00 -0.27 0.00 0.00 0.00 0.00 36.73 37.49 1x1m h TYR 40 CO 0.00 0.00 0.80 -1.12 -0.00 0.00 0.00 178.16 177.84 1x1m s SER 41 N -3.67 -0.16 0.01 0.10 0.01 -1.26 -5.11 113.70 103.62 1x1m s SER 41 Ca -0.02 0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.42 1x1m s SER 41 Cb 0.05 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 1x1m s SER 41 CO 0.16 -0.13 -0.04 0.18 0.41 0.00 0.00 173.24 173.82 1x1m n LEU 42 N 0.80 0.55 -2.51 2.44 4.77 -1.26 -4.10 117.00 117.68 1x1m n LEU 42 Ca -0.05 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1x1m n LEU 42 Cb 0.58 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1x1m n LEU 42 CO 0.09 -0.55 -0.29 0.61 -1.33 0.00 0.00 177.39 175.92 1x1m n GLY 43 N 2.92 0.05 0.00 -0.72 0.00 -1.26 -4.64 105.19 101.55 1x1m n GLY 43 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.62 0.15 3.73 -0.02 0.00 -1.26 -4.94 105.19 103.47 1x1m n GLY 44 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.93 -0.07 1.61 2.02 -1.26 -4.86 117.35 117.72 1x1m s TYR 45 Ca 0.00 0.63 -0.22 0.00 -0.37 0.00 0.00 57.07 57.11 1x1m s TYR 45 Cb 0.00 -4.02 -0.04 0.00 -0.40 0.00 0.00 41.96 37.50 1x1m s TYR 45 CO 0.00 -3.65 0.64 -1.12 -1.57 0.00 0.00 175.55 169.84 1x1m s SER 46 N 0.89 6.91 0.30 2.29 0.01 -1.26 -1.74 113.70 121.11 1x1m s SER 46 Ca 0.68 1.10 0.11 0.00 1.31 0.00 0.00 55.95 59.15 1x1m s SER 46 Cb -0.46 -2.38 0.96 0.00 0.21 0.00 0.00 66.02 64.35 1x1m s SER 46 CO 0.37 -0.07 1.38 -0.38 0.41 0.00 0.00 173.24 174.96 1x1m n ILE 47 N 3.64 -0.37 -0.21 1.44 2.08 -0.92 0.22 119.36 125.24 1x1m n ILE 47 Ca -0.03 1.85 -0.06 0.00 0.56 0.00 0.00 62.75 65.07 1x1m n ILE 47 Cb 0.51 -2.86 -0.01 0.00 -0.75 0.00 0.00 39.64 36.53 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 -1.29 -0.54 4.38 0.87 -1.81 -1.93 113.55 113.23 1x1m h SER 48 Ca 0.65 0.24 0.05 0.00 -1.23 0.00 0.00 61.79 61.50 1x1m h SER 48 Cb 1.59 0.62 -0.07 0.00 -0.44 0.00 0.00 62.40 64.10 1x1m h SER 48 CO -0.74 -0.31 -0.35 0.15 -0.53 0.00 0.00 176.83 175.05 1x1m h PHE 49 N -0.17 -1.11 -0.37 2.24 3.57 -0.61 -1.02 116.94 119.46 1x1m h PHE 49 Ca 0.22 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.85 1x1m h PHE 49 Cb 0.56 0.56 -0.08 0.00 2.79 0.00 0.00 35.95 39.77 1x1m h PHE 49 CO -0.67 -0.23 -0.47 -0.07 -2.23 0.00 0.00 178.31 174.64 1x1m h LEU 50 N -0.03 -1.56 -0.98 0.59 3.38 -1.46 0.56 115.31 115.80 1x1m h LEU 50 Ca 0.09 0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.41 1x1m h LEU 50 Cb 0.26 0.66 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1x1m h LEU 50 CO -0.53 -0.39 0.91 0.11 0.09 0.00 0.00 178.44 178.63 1x1m h LYS 51 N -0.38 0.00 0.08 1.13 1.57 -0.64 0.70 116.57 119.04 1x1m h LYS 51 Ca 0.11 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.57 1x1m h LYS 51 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1x1m h LYS 51 CO -0.56 0.00 -1.77 1.04 -0.57 0.00 0.00 179.45 177.59 1x1m n GLN 52 N -3.02 0.70 0.36 3.15 6.02 0.18 -3.33 117.38 121.43 1x1m n GLN 52 Ca 0.10 0.36 -0.16 0.00 -0.01 0.00 0.00 57.00 57.29 1x1m n GLN 52 Cb 1.07 -1.72 -0.08 0.00 1.02 0.00 0.00 30.24 30.53 1x1m n GLN 52 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1x1m h LEU 53 N -0.29 -0.78 -0.24 1.08 4.07 0.15 -1.48 115.31 117.83 1x1m h LEU 53 Ca -0.41 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.60 1x1m h LEU 53 Cb 1.79 0.20 -0.05 0.00 1.08 0.00 0.00 40.66 43.69 1x1m h LEU 53 CO -0.02 -0.45 -0.06 0.40 -1.08 0.00 0.00 178.44 177.23 1x1m h ILE 54 N -1.09 0.76 -0.09 1.22 5.03 -1.24 -0.01 117.51 122.09 1x1m h ILE 54 Ca -0.09 -0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.67 1x1m h ILE 54 Cb 0.74 0.76 -0.00 0.00 -3.03 0.00 0.00 36.82 35.29 1x1m h ILE 54 CO 0.15 0.00 0.11 0.00 -0.68 0.00 0.00 178.15 177.73 1x1m h ALA 55 N 1.24 1.65 0.00 1.87 0.00 -1.57 0.30 119.26 122.75 1x1m h ALA 55 Ca 0.11 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1x1m h ALA 55 Cb 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1x1m h ALA 55 CO -0.24 -0.16 -0.55 0.78 0.00 0.00 0.00 179.25 179.08 1x1m h GLY 56 N 0.00 0.00 1.07 0.00 0.00 0.09 -3.04 103.07 101.19 1x1m h GLY 56 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.07 1x1m h GLY 56 CO -0.00 0.00 -1.65 0.50 0.00 0.00 0.00 176.54 175.39 1x1m h LYS 57 N 0.00 0.12 -0.86 4.80 1.79 -0.18 -3.33 116.57 118.91 1x1m h LYS 57 Ca -0.02 -0.21 -0.31 0.00 -2.18 0.00 0.00 60.65 57.93 1x1m h LYS 57 Cb 1.29 0.08 -0.18 0.00 -1.58 0.00 0.00 32.23 31.83 1x1m h LYS 57 CO 0.04 0.85 0.39 1.28 -1.08 0.00 0.00 179.45 180.93 1x1m n LEU 58 N -3.27 6.10 0.29 2.94 4.77 -0.34 -4.57 117.00 122.93 1x1m n LEU 58 Ca -0.18 -3.21 0.09 0.00 -0.03 0.00 0.00 56.01 52.69 1x1m n LEU 58 Cb 1.04 -0.77 0.49 0.00 -2.33 0.00 0.00 43.42 41.86 1x1m n LEU 58 CO 0.46 0.86 1.01 1.56 -1.33 0.00 0.00 177.39 179.95 1x1m h GLN 59 N 1.94 0.00 -0.45 3.23 1.08 -1.65 0.45 115.11 119.72 1x1m h GLN 59 Ca 0.38 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1x1m h GLN 59 Cb 2.44 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.84 1x1m h GLN 59 CO 0.83 0.00 0.06 1.05 -0.95 0.00 0.00 178.83 179.82 1x1m h GLU 60 N 0.00 0.70 0.00 1.46 -0.00 -1.89 -3.35 114.58 111.49 1x1m h GLU 60 Ca 0.00 -0.15 -0.13 0.00 -0.00 0.00 0.00 59.36 59.08 1x1m h GLU 60 Cb 0.99 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 29.61 1x1m h GLU 60 CO 0.00 0.67 -1.49 0.43 -0.00 0.00 0.00 179.01 178.62 1x1m n SER 61 N -4.27 3.00 -4.63 3.06 7.64 0.12 -4.96 113.62 113.58 1x1m n SER 61 Ca 0.03 -0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1x1m n SER 61 Cb 0.24 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.17 4.23 -0.02 0.44 1.01 0.89 -4.93 120.40 119.85 1x1m s VAL 62 Ca -0.12 1.40 -0.25 0.00 0.00 0.00 0.00 61.98 63.01 1x1m s VAL 62 Cb 0.03 -4.22 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 1x1m s VAL 62 CO 0.19 -0.47 1.23 1.55 0.00 0.00 0.00 175.10 177.60 1x1m h PRO 63 N 8.97 -0.05 -3.57 2.72 0.13 -1.87 -3.38 132.00 134.94 1x1m h PRO 63 Ca -0.25 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.71 1x1m h PRO 63 Cb 1.09 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 31.99 1x1m h PRO 63 CO 1.03 0.42 -0.58 -0.51 -0.23 0.00 0.00 178.00 178.13 1x1m s ASP 64 N -5.62 -0.01 0.08 1.44 1.11 -1.26 -5.03 116.67 107.39 1x1m s ASP 64 Ca -0.15 -0.05 0.17 0.00 0.18 0.00 0.00 52.55 52.70 1x1m s ASP 64 Cb 0.02 0.19 0.72 0.00 1.07 0.00 0.00 42.92 44.92 1x1m s ASP 64 CO 0.65 -0.19 1.53 -0.81 1.18 0.00 0.00 175.17 177.53 1x1m n PRO 65 N 2.27 0.06 -0.03 8.23 -0.04 -1.26 -2.60 135.00 141.62 1x1m n PRO 65 Ca -0.18 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1x1m n PRO 65 Cb 0.57 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 1x1m n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x1m n GLU 66 N -1.73 0.68 -0.19 0.54 1.02 -1.26 -4.02 120.64 115.67 1x1m n GLU 66 Ca 0.03 0.24 -0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1x1m n GLU 66 Cb 0.18 -1.72 0.06 0.00 -0.02 0.00 0.00 31.44 29.95 1x1m n GLU 66 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1m n LEU 67 N -3.14 2.44 -4.10 -4.62 4.77 -1.07 -4.81 117.00 106.47 1x1m n LEU 67 Ca -0.25 -1.24 -0.12 0.00 -0.03 0.00 0.00 56.01 54.37 1x1m n LEU 67 Cb 1.06 -0.54 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1x1m n LEU 67 CO 0.43 0.41 -0.40 0.27 -1.33 0.00 0.00 177.39 176.77 1x1m s ILE 68 N -1.12 0.60 0.16 -0.08 -5.25 -1.24 -0.05 121.20 114.21 1x1m s ILE 68 Ca 0.11 -1.40 0.07 0.00 -0.99 0.00 0.00 60.65 58.44 1x1m s ILE 68 Cb 0.08 -1.01 -0.04 0.00 2.95 0.00 0.00 42.46 44.44 1x1m s ILE 68 CO 0.03 -0.56 -0.14 -1.81 -1.79 0.00 0.00 174.94 170.66 1x1m s ASP 69 N -2.12 2.29 -0.18 4.36 1.11 0.14 -4.88 116.67 117.39 1x1m s ASP 69 Ca -0.02 -0.91 -0.07 0.00 0.18 0.00 0.00 52.55 51.73 1x1m s ASP 69 Cb -0.04 -0.10 -0.04 0.00 1.07 0.00 0.00 42.92 43.81 1x1m s ASP 69 CO -0.02 -0.15 0.04 -0.22 1.18 0.00 0.00 175.17 176.00 1x1m s LEU 70 N -2.86 3.71 -0.09 1.23 2.96 -1.26 -1.23 118.68 121.13 1x1m s LEU 70 Ca 0.16 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 1x1m s LEU 70 Cb -0.03 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1x1m s LEU 70 CO 0.05 0.17 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.40 1x1m s ILE 71 N 0.38 2.34 -0.03 6.68 -1.09 0.16 -1.10 121.20 128.54 1x1m s ILE 71 Ca 0.02 -0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 57.47 1x1m s ILE 71 Cb -0.13 -1.91 0.01 0.00 -1.58 0.00 0.00 42.46 38.85 1x1m s ILE 71 CO 0.01 0.56 0.10 -0.47 -1.23 0.00 0.00 174.94 173.90 1x1m s TYR 72 N 0.17 -0.09 -1.28 3.97 5.04 -0.33 -1.66 117.35 123.17 1x1m s TYR 72 Ca -0.12 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1x1m s TYR 72 Cb -0.16 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1x1m s TYR 72 CO 0.07 -0.07 0.00 0.00 -1.34 0.00 0.00 175.55 174.21 1x1m n GLY 74 N -0.71 0.76 2.83 0.00 0.00 -1.26 -5.02 105.19 101.79 1x1m n GLY 74 Ca -0.16 -0.82 -0.15 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 -2.51 0.02 0.51 1.61 1.70 0.15 -5.14 118.95 115.27 1x1m s ARG 75 Ca 0.00 0.30 -0.22 0.00 -0.47 0.00 0.00 55.73 55.33 1x1m s ARG 75 Cb 0.00 -0.24 -0.06 0.00 -0.57 0.00 0.00 34.95 34.08 1x1m s ARG 75 CO 0.00 -0.19 1.25 0.21 -1.08 0.00 0.00 175.30 175.50 1x1m s LYS 76 N 1.25 3.44 -0.19 3.89 2.36 -1.26 -1.19 119.74 128.04 1x1m s LYS 76 Ca -0.08 1.97 -0.04 0.00 -2.55 0.00 0.00 55.97 55.28 1x1m s LYS 76 Cb -0.12 -2.31 -0.02 0.00 -1.05 0.00 0.00 37.83 34.33 1x1m s LYS 76 CO -0.04 -0.87 -0.04 -0.51 1.55 0.00 0.00 175.35 175.44 1x1m s LEU 77 N -3.31 3.06 0.85 5.43 1.43 -0.26 -4.89 118.68 120.99 1x1m s LEU 77 Ca 0.68 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1x1m s LEU 77 Cb -0.34 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.22 1x1m s LEU 77 CO 0.40 0.06 1.10 -0.54 0.23 0.00 0.00 176.35 177.60 1x1m s LYS 78 N 0.99 1.65 0.00 1.70 -0.14 -1.26 -4.55 119.74 118.13 1x1m s LYS 78 Ca 0.01 0.65 0.30 0.00 -1.36 0.00 0.00 55.97 55.56 1x1m s LYS 78 Cb -0.15 -1.87 1.62 0.00 -1.68 0.00 0.00 37.83 35.75 1x1m s LYS 78 CO 0.01 -1.92 2.06 -0.40 -0.76 0.00 0.00 175.35 174.34 1x1m n ASP 79 N -3.64 0.44 0.01 2.83 5.75 -1.26 -3.15 116.55 117.54 1x1m n ASP 79 Ca 0.07 -1.17 0.11 0.00 -0.01 0.00 0.00 54.79 53.79 1x1m n ASP 79 Cb 0.56 -0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 -0.64 0.65 -4.83 -1.12 2.03 -1.26 -4.36 116.55 107.01 1x1m n ASP 80 Ca 0.22 -0.40 -0.22 0.00 0.52 0.00 0.00 54.79 54.91 1x1m n ASP 80 Cb 0.18 0.88 0.08 0.00 -0.72 0.00 0.00 41.12 41.54 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1x1m s GLN 81 N -3.15 2.02 0.27 -0.67 -1.52 -1.19 -4.99 119.66 110.44 1x1m s GLN 81 Ca 0.05 -1.25 0.02 0.00 -1.95 0.00 0.00 55.36 52.22 1x1m s GLN 81 Cb 0.15 -2.47 -0.05 0.00 -0.22 0.00 0.00 33.01 30.42 1x1m s GLN 81 CO 0.82 -1.13 0.10 0.95 -0.25 0.00 0.00 175.29 175.78 1x1m s THR 82 N -2.91 0.58 0.25 -0.19 -4.23 -1.26 -2.18 115.64 105.70 1x1m s THR 82 Ca 0.63 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1x1m s THR 82 Cb -0.06 -2.63 0.23 0.00 1.34 0.00 0.00 72.50 71.37 1x1m s THR 82 CO 0.41 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.23 1x1m h LEU 83 N 2.33 0.68 -0.21 4.79 -0.00 -1.67 -2.00 115.31 119.22 1x1m h LEU 83 Ca -0.38 0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.48 1x1m h LEU 83 Cb 1.25 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1x1m h LEU 83 CO 0.60 0.37 -0.15 -0.78 -0.00 0.00 0.00 178.44 178.48 1x1m h ASP 84 N 0.78 0.50 -1.02 -0.43 1.82 -1.89 0.39 116.42 116.57 1x1m h ASP 84 Ca 0.42 -0.44 0.27 0.00 -0.39 0.00 0.00 57.03 56.89 1x1m h ASP 84 Cb 0.42 -0.14 -0.12 0.00 0.68 0.00 0.00 39.33 40.17 1x1m h ASP 84 CO -0.27 0.84 0.62 0.15 -1.61 0.00 0.00 179.24 178.97 1x1m h PHE 85 N 0.17 0.91 0.00 0.28 3.04 -1.77 0.69 116.94 120.27 1x1m h PHE 85 Ca 0.04 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.86 1x1m h PHE 85 Cb 0.67 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1x1m h PHE 85 CO 0.07 0.01 -1.74 0.66 -2.02 0.00 0.00 178.31 175.29 1x1m n TYR 86 N -4.85 0.54 -1.57 0.41 4.01 -1.00 -4.96 117.16 109.74 1x1m n TYR 86 Ca 0.28 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 1x1m n TYR 86 Cb 0.84 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 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 1.43 0.57 3.71 2.72 0.00 0.12 -5.03 105.19 108.71 1x1m n GLY 87 Ca -0.13 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 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 2.06 0.12 -0.61 1.01 -0.42 -4.99 121.20 116.36 1x1m s ILE 88 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.78 1x1m s ILE 88 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1x1m s ILE 88 CO 0.00 -0.02 -0.26 -1.10 0.00 0.00 0.00 174.94 173.57 1x1m s GLN 89 N -3.94 1.39 0.00 2.79 -1.52 -1.26 -4.87 119.66 112.24 1x1m s GLN 89 Ca 0.76 -1.30 0.11 0.00 -1.95 0.00 0.00 55.36 52.98 1x1m s GLN 89 Cb -0.31 -1.82 0.67 0.00 -0.22 0.00 0.00 33.01 31.32 1x1m s GLN 89 CO 0.48 0.43 1.10 -0.35 -0.25 0.00 0.00 175.29 176.70 1x1m n PRO 90 N 1.01 0.49 -0.02 2.91 -0.04 -1.26 -2.02 135.00 136.06 1x1m n PRO 90 Ca -0.18 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1x1m n PRO 90 Cb 0.53 -1.36 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 0.93 4.00 0.55 0.00 -1.26 -4.00 105.19 105.38 1x1m n GLY 91 Ca 0.08 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.62 4.51 -0.06 1.61 0.01 -0.86 -4.92 113.70 113.37 1x1m s SER 92 Ca 0.04 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.91 1x1m s SER 92 Cb 0.03 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.25 1x1m s SER 92 CO 0.04 -1.74 -0.10 -0.89 0.41 0.00 0.00 173.24 170.96 1x1m s THR 93 N -3.05 0.93 0.29 1.44 2.01 -1.26 -2.70 115.64 113.29 1x1m s THR 93 Ca 0.65 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.37 1x1m s THR 93 Cb -0.06 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1x1m s THR 93 CO 0.43 0.31 0.14 0.68 -0.69 0.00 0.00 174.62 175.49 1x1m s VAL 94 N 0.74 3.71 0.06 3.82 -7.23 -1.14 -4.83 120.40 115.52 1x1m s VAL 94 Ca -0.14 -1.62 0.09 0.00 -1.81 0.00 0.00 61.98 58.50 1x1m s VAL 94 Cb -0.15 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.65 1x1m s VAL 94 CO 0.03 -0.30 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.28 1x1m s HIS 95 N -2.28 2.40 -0.19 2.82 3.76 -0.66 -1.16 115.29 119.97 1x1m s HIS 95 Ca 0.35 -0.35 -0.05 0.00 -0.15 0.00 0.00 55.06 54.85 1x1m s HIS 95 Cb -0.06 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.21 1x1m s HIS 95 CO 0.23 0.20 0.01 0.08 -0.85 0.00 0.00 174.74 174.41 1x1m s VAL 96 N -0.89 4.10 -0.17 -0.90 1.01 -1.06 -0.67 120.40 121.82 1x1m s VAL 96 Ca 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1x1m s VAL 96 Cb -0.10 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1x1m s VAL 96 CO 0.04 0.43 -0.13 -0.22 0.00 0.00 0.00 175.10 175.22 1x1m s LEU 97 N 0.86 2.58 -0.04 3.92 1.98 -0.37 -3.03 118.68 124.58 1x1m s LEU 97 Ca 0.01 -0.44 -0.30 0.00 -2.89 0.00 0.00 54.13 50.51 1x1m s LEU 97 Cb -0.14 -1.60 -0.03 0.00 0.66 0.00 0.00 46.19 45.08 1x1m s LEU 97 CO 0.02 0.07 1.03 -0.13 -1.89 0.00 0.00 176.35 175.45 1x1m s ARG 98 N 0.91 4.48 -0.56 1.98 0.52 -1.26 0.27 118.95 125.28 1x1m s ARG 98 Ca -0.03 1.46 -0.03 0.00 -0.52 0.00 0.00 55.73 56.61 1x1m s ARG 98 Cb -0.15 -3.49 0.14 0.00 0.52 0.00 0.00 34.95 31.97 1x1m s ARG 98 CO -0.01 -0.20 2.57 0.36 0.02 0.00 0.00 175.30 178.04 1x1m n LYS 99 N 4.42 2.49 -3.85 3.54 2.85 0.92 -4.89 118.16 123.65 1x1m n LYS 99 Ca 0.08 -2.66 -0.07 0.00 -1.05 0.00 0.00 58.31 54.60 1x1m n LYS 99 Cb 0.49 -2.18 -0.02 0.00 -0.65 0.00 0.00 35.03 32.67 1x1m n LYS 99 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1x1m s SER 100 N -0.04 -0.26 -0.01 -5.58 0.01 -1.26 -4.95 113.70 101.61 1x1m s SER 100 Ca 0.57 -0.60 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 1x1m s SER 100 Cb 0.40 0.71 -0.00 0.00 0.21 0.00 0.00 66.02 67.33 1x1m s SER 100 CO -0.28 -1.31 -0.01 -2.67 0.41 0.00 0.00 173.24 169.39 1x1m n TRP 101 N -0.45 0.00 0.00 2.43 2.14 -1.26 -4.97 117.44 115.34 1x1m n TRP 101 Ca -0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.52 1x1m n TRP 101 Cb 0.60 -0.03 0.00 0.00 -0.81 0.00 0.00 31.31 31.06 1x1m n TRP 101 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1x1m n SER 102 N -2.97 0.04 0.00 -0.67 2.88 -1.26 -5.10 113.62 106.54 1x1m n SER 102 Ca -0.02 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1x1m n SER 102 Cb 0.51 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1x1m n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1m n GLY 103 N 2.98 0.27 0.00 0.46 0.00 -1.26 -5.01 105.19 102.63 1x1m n GLY 103 Ca 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.41 -2.16 1.61 -0.04 -1.26 -4.77 135.00 128.80 1x1m n PRO 104 Ca 0.00 0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 1x1m n PRO 104 Cb 0.00 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 1x1m n PRO 104 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x1m s SER 105 N -2.15 3.58 0.16 3.54 0.01 -1.26 -5.10 113.70 112.48 1x1m s SER 105 Ca 0.21 0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.60 1x1m s SER 105 Cb 0.10 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 1x1m s SER 105 CO 0.19 -2.41 -0.01 -0.94 0.41 0.00 0.00 173.24 170.48 1x1m s SER 106 N -4.83 4.75 0.00 2.44 1.04 -1.26 -5.23 113.70 110.61 1x1m s SER 106 Ca 0.71 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1x1m s SER 106 Cb -0.05 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1x1m s SER 106 CO 0.50 0.11 0.21 0.61 0.98 0.00 0.00 173.24 175.65