#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m s SER 2 N 0.00 0.46 0.80 1.61 1.04 -1.26 -5.17 113.70 111.18 1x1m s SER 2 Ca 0.00 -1.29 -0.12 0.00 0.48 0.00 0.00 55.95 55.03 1x1m s SER 2 Cb 0.00 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.78 1x1m s SER 2 CO 0.00 -1.16 1.17 -0.55 0.98 0.00 0.00 173.24 173.67 1x1m s SER 3 N -3.15 4.53 -0.22 7.02 0.15 -1.26 -5.06 113.70 115.70 1x1m s SER 3 Ca 0.29 0.76 -0.02 0.00 0.70 0.00 0.00 55.95 57.68 1x1m s SER 3 Cb 0.01 -1.26 0.01 0.00 -1.71 0.00 0.00 66.02 63.07 1x1m s SER 3 CO 0.15 -1.88 -0.07 -0.83 1.20 0.00 0.00 173.24 171.81 1x1m s GLY 4 N -4.57 1.58 0.40 9.45 0.00 -1.26 -5.09 107.32 107.83 1x1m s GLY 4 Ca 0.62 -1.29 -0.27 0.00 0.00 0.00 0.00 44.72 43.78 1x1m s GLY 4 CO 0.49 0.44 1.46 -0.45 0.00 0.00 0.00 173.10 175.04 1x1m s SER 5 N 1.39 6.18 -0.55 1.64 0.15 -1.26 -4.94 113.70 116.31 1x1m s SER 5 Ca 0.04 3.00 -0.22 0.00 0.70 0.00 0.00 55.95 59.47 1x1m s SER 5 Cb -0.15 -2.66 0.06 0.00 -1.71 0.00 0.00 66.02 61.55 1x1m s SER 5 CO -0.05 -0.98 0.80 -0.44 1.20 0.00 0.00 173.24 173.77 1x1m s SER 6 N -0.28 6.26 0.00 5.45 0.01 -1.26 -4.05 113.70 119.84 1x1m s SER 6 Ca 0.56 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1x1m s SER 6 Cb -0.45 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1x1m s SER 6 CO 0.61 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1x1m n GLY 7 N 5.18 2.96 3.62 3.44 0.00 -1.26 -5.06 105.19 114.07 1x1m n GLY 7 Ca -0.03 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1x1m n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x1m s MET 8 N 0.00 3.98 0.64 1.61 -2.45 -1.26 -5.05 119.30 116.78 1x1m s MET 8 Ca 0.00 0.68 -0.06 0.00 -1.25 0.00 0.00 55.69 55.06 1x1m s MET 8 Cb 0.00 -3.73 0.04 0.00 1.25 0.00 0.00 34.83 32.39 1x1m s MET 8 CO 0.00 -0.72 0.95 0.45 1.05 0.00 0.00 175.02 176.75 1x1m s SER 9 N 1.62 5.16 -0.00 1.11 0.15 -1.26 -4.63 113.70 115.85 1x1m s SER 9 Ca 0.35 0.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.47 1x1m s SER 9 Cb -0.14 -1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1x1m s SER 9 CO 0.13 -1.34 -0.08 0.18 1.20 0.00 0.00 173.24 173.33 1x1m n LEU 10 N -2.73 0.84 -4.67 3.45 7.99 -1.26 -5.10 117.00 115.51 1x1m n LEU 10 Ca 0.07 0.12 -0.30 0.00 -0.01 0.00 0.00 56.01 55.89 1x1m n LEU 10 Cb 0.59 -0.36 -0.10 0.00 -0.11 0.00 0.00 43.42 43.44 1x1m n LEU 10 CO 0.52 -0.55 -0.28 -0.94 -1.51 0.00 0.00 177.39 174.63 1x1m s SER 11 N -5.42 3.95 -0.20 -1.43 1.04 -1.26 -5.00 113.70 105.38 1x1m s SER 11 Ca -0.06 -1.48 -0.08 0.00 0.48 0.00 0.00 55.95 54.81 1x1m s SER 11 Cb 0.01 -0.04 -0.09 0.00 0.10 0.00 0.00 66.02 66.00 1x1m s SER 11 CO 0.09 -0.61 -0.24 -0.67 0.98 0.00 0.00 173.24 172.79 1x1m n ASP 12 N -1.08 1.61 -4.70 7.02 2.03 -1.26 -4.96 116.55 115.21 1x1m n ASP 12 Ca -0.10 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 54.97 1x1m n ASP 12 Cb 0.67 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.50 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 -2.37 2.93 0.02 -0.67 -0.11 -1.26 -5.02 118.94 112.46 1x1m s TRP 13 Ca -0.28 0.80 0.04 0.00 1.22 0.00 0.00 56.10 57.88 1x1m s TRP 13 Cb 0.10 -3.70 -0.01 0.00 -1.50 0.00 0.00 33.47 28.35 1x1m s TRP 13 CO 0.37 -2.59 -0.11 -3.38 -4.62 0.00 0.00 176.95 166.61 1x1m s HIS 14 N 2.01 1.00 0.11 5.86 -3.43 -1.26 -4.03 115.29 115.55 1x1m s HIS 14 Ca 0.65 -0.28 0.04 0.00 -0.80 0.00 0.00 55.06 54.68 1x1m s HIS 14 Cb -0.34 -0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 30.16 1x1m s HIS 14 CO 0.28 -0.00 -0.10 -1.17 -2.00 0.00 0.00 174.74 171.75 1x1m s LEU 15 N -0.74 2.44 0.16 5.38 2.96 0.10 -3.03 118.68 125.95 1x1m s LEU 15 Ca 0.01 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1x1m s LEU 15 Cb -0.06 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 1x1m s LEU 15 CO 0.00 -0.28 0.27 0.00 -1.32 0.00 0.00 176.35 175.03 1x1m s ALA 16 N -2.65 3.92 -0.01 5.97 0.00 -0.91 0.60 121.76 128.68 1x1m s ALA 16 Ca 0.08 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 1x1m s ALA 16 Cb -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1x1m s ALA 16 CO 0.00 0.51 0.01 0.08 0.00 0.00 0.00 175.76 176.37 1x1m s VAL 17 N -1.76 -0.01 -0.00 0.00 1.01 -0.27 -2.98 120.40 116.39 1x1m s VAL 17 Ca 0.34 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1x1m s VAL 17 Cb -0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 36.38 36.24 1x1m s VAL 17 CO 0.28 0.01 -0.05 -0.54 0.00 0.00 0.00 175.10 174.80 1x1m s LYS 18 N 0.11 0.37 -0.44 2.72 -0.14 0.23 -2.13 119.74 120.46 1x1m s LYS 18 Ca -0.01 -0.19 -0.23 0.00 -1.36 0.00 0.00 55.97 54.19 1x1m s LYS 18 Cb -0.01 -0.35 0.02 0.00 -1.68 0.00 0.00 37.83 35.81 1x1m s LYS 18 CO -0.00 0.09 0.78 -1.17 -0.76 0.00 0.00 175.35 174.29 1x1m s LEU 19 N -0.17 4.24 0.48 3.17 2.96 -1.26 -2.13 118.68 125.98 1x1m s LEU 19 Ca 0.01 -0.05 0.13 0.00 -0.22 0.00 0.00 54.13 54.00 1x1m s LEU 19 Cb -0.02 -2.96 1.14 0.00 0.50 0.00 0.00 46.19 44.85 1x1m s LEU 19 CO -0.00 -0.88 2.12 0.00 -1.32 0.00 0.00 176.35 176.27 1x1m h ALA 20 N 8.90 1.92 -0.45 5.97 0.00 -1.82 -1.60 119.26 132.19 1x1m h ALA 20 Ca -0.25 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1x1m h ALA 20 Cb 1.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1x1m h ALA 20 CO 0.95 0.07 -0.01 0.22 0.00 0.00 0.00 179.25 180.48 1x1m h ASP 21 N 0.18 0.71 -3.51 0.00 3.58 -1.92 -3.37 116.42 112.09 1x1m h ASP 21 Ca 0.06 -0.17 -0.61 0.00 0.42 0.00 0.00 57.03 56.73 1x1m h ASP 21 Cb 0.00 -0.19 -0.40 0.00 1.72 0.00 0.00 39.33 40.47 1x1m h ASP 21 CO -0.01 0.78 -0.73 -1.10 -2.88 0.00 0.00 179.24 175.30 1x1m s GLN 22 N -4.96 1.20 0.00 0.28 -0.21 -0.60 -4.96 119.66 110.42 1x1m s GLN 22 Ca -0.09 -1.76 0.15 0.00 0.02 0.00 0.00 55.36 53.68 1x1m s GLN 22 Cb 0.15 -2.45 0.80 0.00 1.00 0.00 0.00 33.01 32.50 1x1m s GLN 22 CO 0.80 -1.07 1.39 -0.35 -2.12 0.00 0.00 175.29 173.94 1x1m n PRO 23 N 4.01 0.28 -0.08 2.91 -0.04 -1.22 -2.36 135.00 138.50 1x1m n PRO 23 Ca 0.04 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1x1m n PRO 23 Cb 0.38 -1.50 -0.15 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 -1.21 0.00 -4.38 1.53 4.77 -1.26 -5.00 117.00 111.44 1x1m n LEU 24 Ca 0.08 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.71 1x1m n LEU 24 Cb 0.10 0.38 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1x1m n LEU 24 CO 0.11 0.38 -0.18 0.00 -1.33 0.00 0.00 177.39 176.36 1x1m n ALA 25 N -2.60 -2.39 -1.69 -1.18 0.00 -1.00 -4.93 120.51 106.73 1x1m n ALA 25 Ca -0.26 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.45 1x1m n ALA 25 Cb 1.00 -1.73 0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.84 3.18 0.40 0.00 0.04 -1.26 -4.92 135.00 129.59 1x1m s PRO 26 Ca 0.59 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 1x1m s PRO 26 Cb -0.30 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 1x1m s PRO 26 CO 0.64 -0.98 0.99 0.21 0.04 0.00 0.00 177.00 177.90 1x1m s LYS 27 N -3.54 4.26 -0.16 4.56 2.20 -1.26 -4.83 119.74 120.96 1x1m s LYS 27 Ca 0.71 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 1x1m s LYS 27 Cb -0.23 -2.44 0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1x1m s LYS 27 CO 0.32 -0.02 -0.10 -1.12 -0.36 0.00 0.00 175.35 174.07 1x1m s SER 28 N -1.83 2.89 -0.14 1.43 0.01 -0.91 -4.99 113.70 110.16 1x1m s SER 28 Ca 0.58 -0.64 -0.27 0.00 1.31 0.00 0.00 55.95 56.94 1x1m s SER 28 Cb -0.16 -1.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.97 1x1m s SER 28 CO 0.21 -0.13 0.89 -0.63 0.41 0.00 0.00 173.24 173.99 1x1m s ILE 29 N 1.53 4.85 -0.24 1.44 -1.09 -1.26 -1.12 121.20 125.31 1x1m s ILE 29 Ca 0.02 1.78 -0.08 0.00 -2.23 0.00 0.00 60.65 60.14 1x1m s ILE 29 Cb -0.14 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 1x1m s ILE 29 CO -0.09 0.03 0.08 -0.22 -1.23 0.00 0.00 174.94 173.51 1x1m s LEU 30 N 2.03 3.56 -0.48 2.97 2.96 0.20 -4.93 118.68 125.00 1x1m s LEU 30 Ca 0.42 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1x1m s LEU 30 Cb -0.17 -1.95 0.12 0.00 0.50 0.00 0.00 46.19 44.69 1x1m s LEU 30 CO 0.15 -0.00 0.33 -1.10 -1.32 0.00 0.00 176.35 174.40 1x1m s GLN 31 N 1.43 2.38 0.58 1.98 -0.21 -1.26 -0.72 119.66 123.84 1x1m s GLN 31 Ca 0.06 -1.87 -0.19 0.00 0.02 0.00 0.00 55.36 53.38 1x1m s GLN 31 Cb -0.15 -3.83 -0.04 0.00 1.00 0.00 0.00 33.01 29.99 1x1m s GLN 31 CO 0.04 -1.16 1.18 -0.48 -2.12 0.00 0.00 175.29 172.75 1x1m s LEU 32 N 1.15 3.67 -0.21 2.90 0.05 -1.26 -4.94 118.68 120.05 1x1m s LEU 32 Ca 0.08 2.30 -0.29 0.00 0.05 0.00 0.00 54.13 56.27 1x1m s LEU 32 Cb -0.24 -4.59 -0.03 0.00 -2.05 0.00 0.00 46.19 39.28 1x1m s LEU 32 CO -0.02 -1.49 1.60 -2.16 -0.55 0.00 0.00 176.35 173.72 1x1m s PRO 33 N -3.36 3.85 0.89 1.48 0.04 -1.26 -4.78 135.00 131.85 1x1m s PRO 33 Ca 0.75 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 63.34 1x1m s PRO 33 Cb -0.28 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.19 1x1m s PRO 33 CO 0.32 -1.23 -0.05 0.39 0.04 0.00 0.00 177.00 176.47 1x1m n GLU 34 N 7.57 -0.06 -4.80 4.56 1.02 -1.26 -4.99 120.64 122.67 1x1m n GLU 34 Ca 0.18 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 1x1m n GLU 34 Cb 0.45 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.26 1x1m n GLU 34 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1x1m s THR 35 N -2.14 2.83 0.58 2.62 -1.32 -1.26 -4.98 115.64 111.97 1x1m s THR 35 Ca 0.52 -1.01 0.37 0.00 -1.21 0.00 0.00 61.69 60.37 1x1m s THR 35 Cb -0.25 -2.14 0.55 0.00 -1.51 0.00 0.00 72.50 69.15 1x1m s THR 35 CO 0.71 0.45 1.41 -1.84 -2.21 0.00 0.00 174.62 173.15 1x1m n GLU 36 N 1.90 0.01 0.05 7.08 0.28 -1.26 -0.03 120.64 128.68 1x1m n GLU 36 Ca -0.16 1.05 -0.12 0.00 -0.16 0.00 0.00 57.16 57.77 1x1m n GLU 36 Cb 0.52 -2.52 -0.05 0.00 1.43 0.00 0.00 31.44 30.82 1x1m n GLU 36 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1x1m h LEU 37 N 0.00 -0.90 0.00 -1.84 -0.00 -2.02 -3.48 115.31 107.08 1x1m h LEU 37 Ca 0.70 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.70 1x1m h LEU 37 Cb 3.32 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 44.35 1x1m h LEU 37 CO -0.01 -0.36 0.00 0.61 -0.00 0.00 0.00 178.44 178.68 1x1m n GLY 38 N -1.40 -1.01 0.12 0.83 0.00 0.96 -4.97 105.19 99.72 1x1m n GLY 38 Ca -0.05 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.23 1x1m n GLY 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x1m h GLU 39 N 2.76 0.26 -6.01 1.61 4.11 -1.94 -3.39 114.58 111.99 1x1m h GLU 39 Ca 0.00 -0.44 -0.54 0.00 0.07 0.00 0.00 59.36 58.45 1x1m h GLU 39 Cb 0.00 0.16 0.24 0.00 0.50 0.00 0.00 28.75 29.66 1x1m h GLU 39 CO 0.00 1.11 -1.97 2.48 0.07 0.00 0.00 179.01 180.70 1x1m n TYR 40 N -3.45 -4.72 -0.90 2.06 4.11 -1.26 -4.37 117.16 108.62 1x1m n TYR 40 Ca -0.19 0.05 -0.42 0.00 -0.00 0.00 0.00 57.90 57.35 1x1m n TYR 40 Cb 1.05 -1.43 -0.09 0.00 -0.00 0.00 0.00 39.34 38.88 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 3.46 0.51 0.02 9.48 3.41 -1.26 -4.79 113.62 124.44 1x1m n SER 41 Ca -0.02 0.45 -0.12 0.00 -0.26 0.00 0.00 58.87 58.92 1x1m n SER 41 Cb 0.59 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 1x1m n SER 41 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1x1m h LEU 42 N 6.57 -1.33 -3.12 1.04 3.38 -1.89 -3.47 115.31 116.49 1x1m h LEU 42 Ca -0.07 0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 1x1m h LEU 42 Cb 1.00 0.51 0.01 0.00 0.09 0.00 0.00 40.66 42.27 1x1m h LEU 42 CO 0.79 -0.40 -0.88 0.61 0.09 0.00 0.00 178.44 178.66 1x1m n GLY 43 N -1.35 -0.62 0.00 0.83 0.00 -1.26 -4.75 105.19 98.04 1x1m n GLY 43 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 -0.61 0.30 3.51 -0.02 0.00 -1.26 -4.91 105.19 102.19 1x1m n GLY 44 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.54 -4.31 1.61 4.02 -1.26 -4.80 117.16 111.88 1x1m n TYR 45 Ca 0.00 0.31 -0.34 0.00 -0.01 0.00 0.00 57.90 57.86 1x1m n TYR 45 Cb 0.00 -1.90 -0.13 0.00 -0.02 0.00 0.00 39.34 37.29 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 -1.95 4.62 0.32 7.72 1.04 -1.26 -2.74 113.70 121.46 1x1m s SER 46 Ca 0.63 -0.21 0.15 0.00 0.48 0.00 0.00 55.95 57.00 1x1m s SER 46 Cb -0.26 -1.76 1.09 0.00 0.10 0.00 0.00 66.02 65.18 1x1m s SER 46 CO 0.61 0.12 1.42 -0.38 0.98 0.00 0.00 173.24 175.99 1x1m n ILE 47 N 3.87 -0.38 -0.20 -1.02 2.08 -1.07 0.10 119.36 122.74 1x1m n ILE 47 Ca -0.18 1.87 -0.07 0.00 0.56 0.00 0.00 62.75 64.94 1x1m n ILE 47 Cb 0.52 -2.96 -0.02 0.00 -0.75 0.00 0.00 39.64 36.44 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 -1.33 -0.32 4.38 0.87 -1.81 -1.53 113.55 113.82 1x1m h SER 48 Ca 0.71 0.24 0.04 0.00 -1.23 0.00 0.00 61.79 61.54 1x1m h SER 48 Cb 1.80 0.63 -0.06 0.00 -0.44 0.00 0.00 62.40 64.34 1x1m h SER 48 CO -0.73 -0.32 -0.37 0.15 -0.53 0.00 0.00 176.83 175.03 1x1m h PHE 49 N -0.20 -1.13 -0.52 2.24 3.57 -0.72 -1.86 116.94 118.32 1x1m h PHE 49 Ca 0.20 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.85 1x1m h PHE 49 Cb 0.56 0.54 -0.10 0.00 2.79 0.00 0.00 35.95 39.73 1x1m h PHE 49 CO -0.67 -0.31 -0.42 -0.07 -2.23 0.00 0.00 178.31 174.61 1x1m h LEU 50 N -0.23 -1.41 -1.01 0.59 3.38 -1.45 0.52 115.31 115.70 1x1m h LEU 50 Ca 0.05 0.23 0.29 0.00 0.09 0.00 0.00 57.88 58.55 1x1m h LEU 50 Cb 0.37 0.64 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1x1m h LEU 50 CO -0.42 -0.34 1.22 0.11 0.09 0.00 0.00 178.44 179.10 1x1m h LYS 51 N -0.25 0.00 0.11 1.13 1.57 -0.45 1.28 116.57 119.96 1x1m h LYS 51 Ca 0.17 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.67 1x1m h LYS 51 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1x1m h LYS 51 CO -0.65 0.00 -1.48 1.96 -0.57 0.00 0.00 179.45 178.72 1x1m h GLN 52 N 0.00 0.23 -0.52 3.15 4.20 0.23 -3.01 115.11 119.39 1x1m h GLN 52 Ca 0.48 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1x1m h GLN 52 Cb 2.92 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 30.81 1x1m h GLN 52 CO -0.01 1.19 0.32 -0.07 -0.67 0.00 0.00 178.83 179.59 1x1m h LEU 53 N -0.30 0.52 0.35 1.46 4.07 0.19 0.80 115.31 122.40 1x1m h LEU 53 Ca -0.32 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1x1m h LEU 53 Cb 1.77 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.40 1x1m h LEU 53 CO 0.04 0.37 -0.17 0.40 -1.08 0.00 0.00 178.44 178.00 1x1m h ILE 54 N 0.63 0.00 -1.11 1.22 5.03 -1.37 -2.39 117.51 119.52 1x1m h ILE 54 Ca 0.20 -0.25 0.32 0.00 -0.12 0.00 0.00 64.86 65.02 1x1m h ILE 54 Cb 0.00 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 33.74 1x1m h ILE 54 CO -0.08 0.00 0.79 0.00 -0.68 0.00 0.00 178.15 178.18 1x1m h ALA 55 N -1.54 3.00 0.00 1.87 0.00 -1.55 0.86 119.26 121.90 1x1m h ALA 55 Ca -0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1x1m h ALA 55 Cb 0.36 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1x1m h ALA 55 CO 0.08 -1.32 -0.44 0.78 0.00 0.00 0.00 179.25 178.35 1x1m h GLY 56 N 0.03 0.00 0.58 0.00 0.00 -0.80 -2.99 103.07 99.88 1x1m h GLY 56 Ca 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.73 1x1m h GLY 56 CO -0.03 0.00 -1.66 0.28 0.00 0.00 0.00 176.54 175.13 1x1m n LYS 57 N -3.34 0.64 -1.15 4.80 4.76 0.26 -4.12 118.16 120.01 1x1m n LYS 57 Ca 0.01 0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 1x1m n LYS 57 Cb 0.63 -1.69 0.19 0.00 -1.84 0.00 0.00 35.03 32.32 1x1m n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x1m n LEU 58 N -2.68 6.26 0.21 -0.35 4.77 0.10 -4.61 117.00 120.71 1x1m n LEU 58 Ca -0.11 -3.62 0.09 0.00 -0.03 0.00 0.00 56.01 52.34 1x1m n LEU 58 Cb 0.78 -0.80 0.48 0.00 -2.33 0.00 0.00 43.42 41.55 1x1m n LEU 58 CO 0.43 1.08 0.89 1.56 -1.33 0.00 0.00 177.39 180.02 1x1m h GLN 59 N 1.07 0.00 -0.09 3.23 4.20 -1.64 0.69 115.11 122.58 1x1m h GLN 59 Ca 0.55 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.13 1x1m h GLN 59 Cb 2.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.41 1x1m h GLN 59 CO 0.97 0.00 -0.53 1.05 -0.67 0.00 0.00 178.83 179.65 1x1m h GLU 60 N 0.00 0.24 0.00 1.46 4.11 -1.89 -3.39 114.58 115.11 1x1m h GLU 60 Ca 0.00 -0.14 -0.08 0.00 0.07 0.00 0.00 59.36 59.20 1x1m h GLU 60 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1x1m h GLU 60 CO 0.00 0.71 -1.28 0.45 0.07 0.00 0.00 179.01 178.96 1x1m n SER 61 N -3.93 1.00 -4.62 3.06 2.88 0.13 -4.98 113.62 107.15 1x1m n SER 61 Ca -0.02 0.04 -0.42 0.00 -1.33 0.00 0.00 58.87 57.14 1x1m n SER 61 Cb 0.57 -0.13 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1x1m n SER 61 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1m s VAL 62 N -2.09 4.69 -0.02 2.46 1.01 0.20 -4.95 120.40 121.69 1x1m s VAL 62 Ca -0.07 1.42 -0.25 0.00 0.00 0.00 0.00 61.98 63.08 1x1m s VAL 62 Cb 0.02 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 31.96 1x1m s VAL 62 CO 0.09 -0.33 1.22 1.55 0.00 0.00 0.00 175.10 177.64 1x1m h PRO 63 N 8.08 -0.06 -3.32 2.72 0.13 -1.83 -3.33 132.00 134.39 1x1m h PRO 63 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1x1m h PRO 63 Cb 1.08 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.03 1x1m h PRO 63 CO 0.94 0.41 -0.39 -0.51 -0.23 0.00 0.00 178.00 178.22 1x1m s ASP 64 N -5.61 -0.06 0.16 1.44 1.01 -1.26 -5.00 116.67 107.34 1x1m s ASP 64 Ca -0.15 -0.11 0.20 0.00 0.71 0.00 0.00 52.55 53.20 1x1m s ASP 64 Cb 0.02 0.26 0.83 0.00 1.01 0.00 0.00 42.92 45.04 1x1m s ASP 64 CO 0.64 -0.43 1.61 -0.81 0.21 0.00 0.00 175.17 176.39 1x1m n PRO 65 N 1.27 0.12 -0.04 8.23 -0.04 -1.26 -2.54 135.00 140.73 1x1m n PRO 65 Ca -0.22 0.36 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1x1m n PRO 65 Cb 0.56 -1.73 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.95 0.65 -0.26 0.54 1.02 -1.26 -3.99 120.64 115.39 1x1m n GLU 66 Ca 0.03 0.22 0.03 0.00 -0.02 0.00 0.00 57.16 57.42 1x1m n GLU 66 Cb 0.20 -1.72 0.14 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.98 2.27 -4.30 -4.62 4.77 -1.05 -4.87 117.00 106.21 1x1m n LEU 67 Ca -0.21 -1.15 -0.18 0.00 -0.03 0.00 0.00 56.01 54.43 1x1m n LEU 67 Cb 1.08 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1x1m n LEU 67 CO 0.44 0.39 -0.17 0.27 -1.33 0.00 0.00 177.39 176.99 1x1m s ILE 68 N -1.65 0.14 0.04 -0.08 -5.25 -1.21 -2.67 121.20 110.52 1x1m s ILE 68 Ca 0.20 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.86 1x1m s ILE 68 Cb 0.13 -2.49 -0.03 0.00 2.95 0.00 0.00 42.46 43.03 1x1m s ILE 68 CO 0.09 0.00 -0.04 -1.81 -1.79 0.00 0.00 174.94 171.39 1x1m s ASP 69 N -3.36 0.50 -0.20 4.36 1.01 -0.34 -4.87 116.67 113.76 1x1m s ASP 69 Ca 0.38 -0.73 -0.06 0.00 0.71 0.00 0.00 52.55 52.85 1x1m s ASP 69 Cb 0.04 0.13 -0.03 0.00 1.01 0.00 0.00 42.92 44.07 1x1m s ASP 69 CO 0.21 -0.41 0.02 -0.22 0.21 0.00 0.00 175.17 174.98 1x1m s LEU 70 N -2.13 3.39 -0.14 1.23 2.96 -1.26 -1.03 118.68 121.69 1x1m s LEU 70 Ca -0.05 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1x1m s LEU 70 Cb -0.02 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1x1m s LEU 70 CO -0.04 0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.33 1x1m s ILE 71 N 0.98 3.34 0.00 6.68 -1.09 0.12 -0.75 121.20 130.47 1x1m s ILE 71 Ca 0.02 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1x1m s ILE 71 Cb -0.14 -2.43 -0.00 0.00 -1.58 0.00 0.00 42.46 38.30 1x1m s ILE 71 CO 0.02 0.51 0.01 -0.47 -1.23 0.00 0.00 174.94 173.78 1x1m s TYR 72 N 0.40 0.05 -1.11 3.97 5.04 0.02 -0.37 117.35 125.35 1x1m s TYR 72 Ca -0.08 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 1x1m s TYR 72 Cb -0.15 -0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.11 1x1m s TYR 72 CO 0.04 -0.06 0.00 0.00 -1.34 0.00 0.00 175.55 174.19 1x1m n GLY 74 N -0.74 0.45 3.29 0.00 0.00 -1.26 -5.02 105.19 101.91 1x1m n GLY 74 Ca -0.15 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1x1m n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x1m s ARG 75 N -3.51 0.43 0.75 1.61 1.70 0.15 -5.15 118.95 114.93 1x1m s ARG 75 Ca 0.00 0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 55.86 1x1m s ARG 75 Cb 0.00 0.05 0.05 0.00 -0.57 0.00 0.00 34.95 34.48 1x1m s ARG 75 CO 0.00 -0.13 1.24 1.17 -1.08 0.00 0.00 175.30 176.50 1x1m n LYS 76 N 3.89 0.54 -3.99 3.89 4.81 -1.26 -0.80 118.16 125.24 1x1m n LYS 76 Ca -0.21 0.25 -0.34 0.00 -0.87 0.00 0.00 58.31 57.15 1x1m n LYS 76 Cb 0.56 -2.48 -0.15 0.00 0.02 0.00 0.00 35.03 32.98 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 -5.17 2.96 0.69 3.14 1.43 0.07 -4.81 118.68 116.99 1x1m s LEU 77 Ca 0.77 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1x1m s LEU 77 Cb -0.33 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1x1m s LEU 77 CO 0.47 -0.09 1.08 -0.54 0.23 0.00 0.00 176.35 177.50 1x1m s LYS 78 N 1.32 2.75 0.00 1.70 1.02 -1.26 -4.64 119.74 120.63 1x1m s LYS 78 Ca 0.01 1.18 0.31 0.00 0.02 0.00 0.00 55.97 57.50 1x1m s LYS 78 Cb -0.16 -1.96 1.67 0.00 -0.52 0.00 0.00 37.83 36.87 1x1m s LYS 78 CO -0.06 -1.26 2.12 -0.40 -0.92 0.00 0.00 175.35 174.83 1x1m n ASP 79 N -2.87 0.01 -0.75 2.83 5.68 -1.26 -2.86 116.55 117.34 1x1m n ASP 79 Ca 0.09 -0.49 0.13 0.00 -0.50 0.00 0.00 54.79 54.01 1x1m n ASP 79 Cb 0.53 -0.17 0.25 0.00 -1.14 0.00 0.00 41.12 40.59 1x1m n ASP 79 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1x1m n ASP 80 N -1.16 2.37 -4.91 -1.12 8.00 -1.26 -4.33 116.55 114.14 1x1m n ASP 80 Ca 0.18 -1.76 -0.25 0.00 0.71 0.00 0.00 54.79 53.66 1x1m n ASP 80 Cb 0.19 0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x1m s GLN 81 N -2.05 2.27 0.42 -1.24 -1.52 -1.14 -5.04 119.66 111.37 1x1m s GLN 81 Ca 0.31 -1.96 0.03 0.00 -1.95 0.00 0.00 55.36 51.79 1x1m s GLN 81 Cb 0.20 -2.15 -0.02 0.00 -0.22 0.00 0.00 33.01 30.82 1x1m s GLN 81 CO 0.34 -0.60 0.11 0.95 -0.25 0.00 0.00 175.29 175.84 1x1m s THR 82 N -2.74 0.69 0.06 -0.19 -4.23 -1.26 -2.61 115.64 105.36 1x1m s THR 82 Ca 0.37 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.61 1x1m s THR 82 Cb -0.02 -2.32 -0.17 0.00 1.34 0.00 0.00 72.50 71.32 1x1m s THR 82 CO 0.23 0.00 1.58 -0.07 -0.54 0.00 0.00 174.62 175.82 1x1m h LEU 83 N 1.72 -0.35 -0.61 4.79 -0.00 -1.82 -2.90 115.31 116.13 1x1m h LEU 83 Ca -0.37 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.43 1x1m h LEU 83 Cb 1.28 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 42.00 1x1m h LEU 83 CO 0.59 -0.17 0.26 -0.78 -0.00 0.00 0.00 178.44 178.34 1x1m h ASP 84 N -0.50 0.83 -1.07 -0.43 3.58 -1.88 0.25 116.42 117.21 1x1m h ASP 84 Ca -0.04 -0.16 0.29 0.00 0.42 0.00 0.00 57.03 57.54 1x1m h ASP 84 Cb 0.37 -0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.11 1x1m h ASP 84 CO 0.07 0.76 0.69 0.15 -2.88 0.00 0.00 179.24 178.03 1x1m h PHE 85 N 0.85 0.66 0.01 0.28 3.04 -1.93 -0.26 116.94 119.59 1x1m h PHE 85 Ca 0.21 0.02 -0.34 0.00 3.98 0.00 0.00 57.97 61.84 1x1m h PHE 85 Cb 0.18 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 1x1m h PHE 85 CO 0.01 0.02 -2.05 0.66 -2.02 0.00 0.00 178.31 174.93 1x1m n TYR 86 N -4.65 0.59 -0.12 0.41 4.01 -0.97 -4.95 117.16 111.46 1x1m n TYR 86 Ca 0.27 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 1x1m n TYR 86 Cb 0.95 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 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 1.73 0.70 3.89 2.72 0.00 0.78 -5.11 105.19 109.90 1x1m n GLY 87 Ca -0.27 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.49 5.29 0.20 -0.61 1.01 -0.54 -5.00 121.20 120.06 1x1m s ILE 88 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.85 1x1m s ILE 88 Cb 0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1x1m s ILE 88 CO 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 174.94 175.14 1x1m s GLN 89 N -1.88 1.29 -0.56 2.79 0.00 -1.26 -4.67 119.66 115.37 1x1m s GLN 89 Ca 0.29 -1.58 -0.27 0.00 -0.00 0.00 0.00 55.36 53.80 1x1m s GLN 89 Cb -0.13 -1.01 -0.02 0.00 0.00 0.00 0.00 33.01 31.85 1x1m s GLN 89 CO 0.18 0.14 1.83 -1.25 0.00 0.00 0.00 175.29 176.19 1x1m s PRO 90 N -3.68 2.79 0.00 9.60 0.04 -1.26 -2.85 135.00 139.63 1x1m s PRO 90 Ca 0.22 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1x1m s PRO 90 Cb 0.00 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1x1m s PRO 90 CO 0.06 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1x1m n GLY 91 N 5.63 0.99 3.52 0.56 0.00 -1.17 -4.92 105.19 109.79 1x1m n GLY 91 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.50 -0.06 1.61 0.01 -1.13 -4.62 113.70 110.01 1x1m s SER 92 Ca 0.00 0.77 0.02 0.00 1.31 0.00 0.00 55.95 58.05 1x1m s SER 92 Cb 0.00 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.15 1x1m s SER 92 CO 0.00 -4.39 -0.10 -0.89 0.41 0.00 0.00 173.24 168.27 1x1m s THR 93 N -2.79 0.95 0.20 1.44 2.01 -1.26 -2.15 115.64 114.05 1x1m s THR 93 Ca 0.70 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.39 1x1m s THR 93 Cb -0.12 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1x1m s THR 93 CO 0.57 0.32 0.14 0.68 -0.69 0.00 0.00 174.62 175.64 1x1m s VAL 94 N 0.76 4.40 -0.12 3.82 -7.23 -1.16 -4.76 120.40 116.11 1x1m s VAL 94 Ca -0.13 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1x1m s VAL 94 Cb -0.15 -3.29 0.01 0.00 0.56 0.00 0.00 36.38 33.51 1x1m s VAL 94 CO 0.02 -0.20 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.42 1x1m s HIS 95 N -1.89 2.37 0.35 2.82 3.76 0.50 -0.60 115.29 122.61 1x1m s HIS 95 Ca 0.31 -1.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.00 1x1m s HIS 95 Cb -0.09 -1.63 -0.07 0.00 1.11 0.00 0.00 32.58 31.89 1x1m s HIS 95 CO 0.23 -0.50 0.73 0.08 -0.85 0.00 0.00 174.74 174.43 1x1m s VAL 96 N 0.72 4.76 -0.10 -0.90 1.01 -0.90 0.10 120.40 125.10 1x1m s VAL 96 Ca -0.11 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1x1m s VAL 96 Cb -0.16 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1x1m s VAL 96 CO 0.02 -0.34 0.01 -0.22 0.00 0.00 0.00 175.10 174.57 1x1m s LEU 97 N -3.39 0.67 0.17 3.92 1.98 -0.20 -2.53 118.68 119.29 1x1m s LEU 97 Ca 0.52 -0.23 -0.30 0.00 -2.89 0.00 0.00 54.13 51.23 1x1m s LEU 97 Cb -0.10 -0.45 -0.08 0.00 0.66 0.00 0.00 46.19 46.21 1x1m s LEU 97 CO 0.25 -0.22 1.28 -0.13 -1.89 0.00 0.00 176.35 175.64 1x1m s ARG 98 N 1.96 4.41 -0.50 1.98 0.52 -1.26 -1.20 118.95 124.86 1x1m s ARG 98 Ca 0.04 1.98 -0.28 0.00 -0.52 0.00 0.00 55.73 56.95 1x1m s ARG 98 Cb -0.13 -3.23 0.01 0.00 0.52 0.00 0.00 34.95 32.11 1x1m s ARG 98 CO -0.06 -0.24 1.51 0.15 0.02 0.00 0.00 175.30 176.68 1x1m s LYS 99 N 0.19 3.31 -0.55 3.54 1.02 -1.09 -4.94 119.74 121.22 1x1m s LYS 99 Ca 0.57 0.72 -0.19 0.00 0.02 0.00 0.00 55.97 57.10 1x1m s LYS 99 Cb -0.35 -4.13 0.08 0.00 -0.52 0.00 0.00 37.83 32.91 1x1m s LYS 99 CO 0.35 -1.91 0.65 0.45 -0.92 0.00 0.00 175.35 173.97 1x1m s SER 100 N 4.88 6.20 -0.20 2.83 0.15 -1.26 -4.84 113.70 121.45 1x1m s SER 100 Ca 0.60 -1.19 0.08 0.00 0.70 0.00 0.00 55.95 56.14 1x1m s SER 100 Cb -0.13 -2.29 -0.18 0.00 -1.71 0.00 0.00 66.02 61.71 1x1m s SER 100 CO 0.28 -0.98 -0.08 -2.67 1.20 0.00 0.00 173.24 170.99 1x1m n TRP 101 N 6.19 0.00 -3.69 3.44 2.14 -1.26 -5.07 117.44 119.18 1x1m n TRP 101 Ca -0.08 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.41 1x1m n TRP 101 Cb 0.44 -0.86 0.01 0.00 -0.81 0.00 0.00 31.31 30.09 1x1m n TRP 101 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 1x1m n SER 102 N -2.91 -1.39 -3.96 -0.67 7.64 -1.26 -5.11 113.62 105.95 1x1m n SER 102 Ca -0.34 -2.21 -0.31 0.00 1.01 0.00 0.00 58.87 57.02 1x1m n SER 102 Cb 0.99 2.39 -0.11 0.00 -1.01 0.00 0.00 64.21 66.47 1x1m n SER 102 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1m s GLY 103 N -2.50 2.83 0.75 0.23 0.00 -1.26 -5.09 107.32 102.28 1x1m s GLY 103 Ca 0.15 -3.68 -0.12 0.00 0.00 0.00 0.00 44.72 41.07 1x1m s GLY 103 CO 0.11 1.09 1.10 2.56 0.00 0.00 0.00 173.10 177.95 1x1m s PRO 104 N -1.09 2.38 0.33 2.90 0.04 -1.26 -5.07 135.00 133.23 1x1m s PRO 104 Ca 0.23 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 1x1m s PRO 104 Cb -0.11 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1x1m s PRO 104 CO -0.11 -1.56 0.78 -1.54 0.04 0.00 0.00 177.00 174.61 1x1m s SER 105 N -3.20 -0.11 0.30 6.66 1.04 -1.26 -5.16 113.70 111.97 1x1m s SER 105 Ca 0.63 -0.89 -0.18 0.00 0.48 0.00 0.00 55.95 55.99 1x1m s SER 105 Cb -0.18 0.78 -0.09 0.00 0.10 0.00 0.00 66.02 66.63 1x1m s SER 105 CO 0.53 -1.50 0.77 -0.44 0.98 0.00 0.00 173.24 173.57 1x1m s SER 106 N -3.02 6.91 0.00 7.02 0.01 -1.26 -5.35 113.70 118.01 1x1m s SER 106 Ca 0.14 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.80 1x1m s SER 106 Cb -0.05 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1x1m s SER 106 CO 0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.21