#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 -0.41 0.23 1.61 0.15 -1.26 -5.13 113.70 108.89 1x1m s SER 2 Ca 0.00 0.77 -0.31 0.00 0.70 0.00 0.00 55.95 57.11 1x1m s SER 2 Cb 0.00 0.76 -0.14 0.00 -1.71 0.00 0.00 66.02 64.93 1x1m s SER 2 CO 0.00 -0.14 1.34 -1.54 1.20 0.00 0.00 173.24 174.10 1x1m n SER 3 N 3.15 2.43 0.00 5.45 3.41 -1.26 -4.97 113.62 121.84 1x1m n SER 3 Ca -0.15 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 1x1m n SER 3 Cb 0.57 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1x1m n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1m n GLY 4 N 2.02 0.73 3.54 5.00 0.00 -1.26 -4.94 105.19 110.28 1x1m n GLY 4 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1x1m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1m n SER 5 N 0.00 2.08 -4.61 1.61 7.64 -1.26 -4.92 113.62 114.16 1x1m n SER 5 Ca 0.00 -0.31 -0.36 0.00 1.01 0.00 0.00 58.87 59.21 1x1m n SER 5 Cb 0.00 -1.47 -0.10 0.00 -1.01 0.00 0.00 64.21 61.63 1x1m n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x1m s SER 6 N 11.25 5.80 0.00 6.43 1.04 -1.26 -4.77 113.70 132.19 1x1m s SER 6 Ca 1.05 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1x1m s SER 6 Cb -0.38 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1x1m s SER 6 CO 0.31 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.21 1x1m n GLY 7 N 4.26 1.92 3.66 7.32 0.00 -1.26 -5.03 105.19 116.06 1x1m n GLY 7 Ca -0.16 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1x1m n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x1m s MET 8 N 0.00 1.57 1.04 1.61 0.00 -1.26 -5.16 119.30 117.10 1x1m s MET 8 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 55.69 54.53 1x1m s MET 8 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 34.83 35.35 1x1m s MET 8 CO 0.00 -0.69 -0.51 -1.13 0.00 0.00 0.00 175.02 172.70 1x1m n SER 9 N -0.40 -3.02 -0.03 -1.18 3.41 -1.26 -4.98 113.62 106.16 1x1m n SER 9 Ca -0.06 0.03 -0.02 0.00 -0.26 0.00 0.00 58.87 58.56 1x1m n SER 9 Cb 0.61 -0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 1x1m n SER 9 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1x1m h LEU 10 N -1.53 0.00 -9.78 1.04 4.07 -2.02 -3.47 115.31 103.63 1x1m h LEU 10 Ca -0.46 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 56.97 1x1m h LEU 10 Cb 1.35 0.00 0.05 0.00 1.08 0.00 0.00 40.66 43.14 1x1m h LEU 10 CO 0.30 0.34 0.65 -0.94 -1.08 0.00 0.00 178.44 177.71 1x1m s SER 11 N -4.51 6.83 -0.20 -0.43 1.04 -1.26 -4.96 113.70 110.21 1x1m s SER 11 Ca -0.06 2.56 -0.21 0.00 0.48 0.00 0.00 55.95 58.72 1x1m s SER 11 Cb 0.01 -2.63 -0.19 0.00 0.10 0.00 0.00 66.02 63.31 1x1m s SER 11 CO 0.09 -0.53 0.22 0.44 0.98 0.00 0.00 173.24 174.44 1x1m h ASP 12 N 4.36 0.00 -2.36 7.02 5.19 -1.91 -3.47 116.42 125.26 1x1m h ASP 12 Ca -0.47 -0.51 -0.57 0.00 -0.62 0.00 0.00 57.03 54.87 1x1m h ASP 12 Cb 1.22 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.78 1x1m h ASP 12 CO 0.72 1.42 0.89 1.87 -3.12 0.00 0.00 179.24 181.02 1x1m n TRP 13 N -4.45 2.41 -4.25 4.55 -0.00 -1.26 -4.99 117.44 109.45 1x1m n TRP 13 Ca -0.30 0.17 -0.14 0.00 -0.00 0.00 0.00 57.50 57.23 1x1m n TRP 13 Cb 0.65 -2.60 -0.10 0.00 -0.00 0.00 0.00 31.31 29.26 1x1m n TRP 13 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 1x1m s HIS 14 N 1.32 1.27 0.06 5.87 -3.43 -1.26 -3.71 115.29 115.40 1x1m s HIS 14 Ca 0.79 -0.74 -0.13 0.00 -0.80 0.00 0.00 55.06 54.18 1x1m s HIS 14 Cb -0.63 -0.65 0.02 0.00 -1.43 0.00 0.00 32.58 29.89 1x1m s HIS 14 CO 0.37 0.09 0.29 -1.17 -2.00 0.00 0.00 174.74 172.32 1x1m s LEU 15 N -3.09 0.93 0.21 5.38 2.96 0.79 -3.56 118.68 122.31 1x1m s LEU 15 Ca 0.16 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1x1m s LEU 15 Cb 0.02 1.33 -0.04 0.00 0.50 0.00 0.00 46.19 48.00 1x1m s LEU 15 CO 0.01 -0.65 0.40 0.00 -1.32 0.00 0.00 176.35 174.79 1x1m s ALA 16 N -2.81 3.83 -0.02 5.97 0.00 -1.02 -0.87 121.76 126.83 1x1m s ALA 16 Ca -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1x1m s ALA 16 Cb 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1x1m s ALA 16 CO -0.05 0.39 -0.01 0.08 0.00 0.00 0.00 175.76 176.17 1x1m s VAL 17 N -1.91 0.19 -0.03 0.00 1.01 -0.97 -3.14 120.40 115.55 1x1m s VAL 17 Ca 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1x1m s VAL 17 Cb -0.11 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.07 1x1m s VAL 17 CO 0.29 0.11 0.05 -0.54 0.00 0.00 0.00 175.10 175.01 1x1m s LYS 18 N 0.53 -0.05 0.04 2.72 -0.14 -0.79 -2.48 119.74 119.57 1x1m s LYS 18 Ca -0.05 0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.55 1x1m s LYS 18 Cb -0.08 -0.37 -0.06 0.00 -1.68 0.00 0.00 37.83 35.64 1x1m s LYS 18 CO -0.01 -0.25 1.40 -1.17 -0.76 0.00 0.00 175.35 174.57 1x1m s LEU 19 N 1.61 4.34 0.25 3.17 2.96 -1.26 -3.29 118.68 126.46 1x1m s LEU 19 Ca -0.02 2.19 0.11 0.00 -0.22 0.00 0.00 54.13 56.18 1x1m s LEU 19 Cb -0.12 -3.57 0.26 0.00 0.50 0.00 0.00 46.19 43.25 1x1m s LEU 19 CO -0.03 -0.70 1.55 0.00 -1.32 0.00 0.00 176.35 175.85 1x1m h ALA 20 N 7.54 0.83 0.00 5.97 0.00 -1.89 -3.14 119.26 128.58 1x1m h ALA 20 Ca -0.39 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 53.72 1x1m h ALA 20 Cb 1.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1x1m h ALA 20 CO 0.89 0.84 -0.85 0.22 0.00 0.00 0.00 179.25 180.35 1x1m h ASP 21 N 0.00 0.13 -3.86 0.00 3.58 -1.91 -3.39 116.42 110.97 1x1m h ASP 21 Ca -0.01 -0.10 -0.63 0.00 0.42 0.00 0.00 57.03 56.71 1x1m h ASP 21 Cb 1.23 -0.04 -0.41 0.00 1.72 0.00 0.00 39.33 41.83 1x1m h ASP 21 CO 0.09 0.92 -0.66 -1.10 -2.88 0.00 0.00 179.24 175.60 1x1m s GLN 22 N -3.16 1.82 0.00 0.28 -0.21 -1.19 -4.93 119.66 112.27 1x1m s GLN 22 Ca -0.01 -2.55 0.15 0.00 0.02 0.00 0.00 55.36 52.97 1x1m s GLN 22 Cb 0.11 -2.99 0.76 0.00 1.00 0.00 0.00 33.01 31.88 1x1m s GLN 22 CO 0.81 -1.16 1.40 -0.35 -2.12 0.00 0.00 175.29 173.87 1x1m n PRO 23 N 3.04 0.22 -0.09 2.91 -0.04 -1.24 -2.39 135.00 137.42 1x1m n PRO 23 Ca 0.09 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1x1m n PRO 23 Cb 0.34 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.27 0.02 -4.50 1.53 4.77 -1.26 -4.99 117.00 111.29 1x1m n LEU 24 Ca 0.07 0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 1x1m n LEU 24 Cb 0.11 0.45 0.08 0.00 -2.33 0.00 0.00 43.42 41.73 1x1m n LEU 24 CO 0.11 0.45 0.17 0.00 -1.33 0.00 0.00 177.39 176.79 1x1m n ALA 25 N -2.70 -1.28 -1.20 -1.18 0.00 -1.00 -4.96 120.51 108.19 1x1m n ALA 25 Ca -0.30 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 1x1m n ALA 25 Cb 1.10 -1.92 0.15 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.98 1.03 0.37 0.00 0.04 -1.26 -4.89 135.00 127.31 1x1m s PRO 26 Ca 0.67 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 1x1m s PRO 26 Cb -0.34 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1x1m s PRO 26 CO 0.57 -2.38 0.70 0.21 0.04 0.00 0.00 177.00 176.14 1x1m s LYS 27 N -4.94 3.70 -0.17 4.56 2.20 -1.26 -4.77 119.74 119.04 1x1m s LYS 27 Ca 0.64 0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1x1m s LYS 27 Cb -0.18 -2.48 0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1x1m s LYS 27 CO 0.57 0.03 -0.07 -1.12 -0.36 0.00 0.00 175.35 174.40 1x1m s SER 28 N -3.29 2.98 -0.35 1.43 0.01 -1.04 -4.98 113.70 108.46 1x1m s SER 28 Ca 0.48 -0.72 -0.29 0.00 1.31 0.00 0.00 55.95 56.73 1x1m s SER 28 Cb -0.10 -1.01 0.02 0.00 0.21 0.00 0.00 66.02 65.13 1x1m s SER 28 CO 0.32 -0.17 1.16 -0.63 0.41 0.00 0.00 173.24 174.33 1x1m s ILE 29 N 1.56 4.33 -0.01 1.44 -1.09 -1.26 -2.30 121.20 123.87 1x1m s ILE 29 Ca 0.00 1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 59.90 1x1m s ILE 29 Cb -0.15 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.30 1x1m s ILE 29 CO -0.08 -0.61 0.10 -0.22 -1.23 0.00 0.00 174.94 172.90 1x1m s LEU 30 N 4.07 3.98 -0.33 2.97 2.96 -0.05 -4.95 118.68 127.33 1x1m s LEU 30 Ca 0.49 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1x1m s LEU 30 Cb -0.12 -2.33 0.11 0.00 0.50 0.00 0.00 46.19 44.35 1x1m s LEU 30 CO 0.22 0.27 0.11 -1.10 -1.32 0.00 0.00 176.35 174.53 1x1m s GLN 31 N -1.76 0.86 0.61 1.98 -0.21 -1.26 -0.15 119.66 119.74 1x1m s GLN 31 Ca 0.23 -1.28 -0.18 0.00 0.02 0.00 0.00 55.36 54.15 1x1m s GLN 31 Cb -0.12 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1x1m s GLN 31 CO 0.15 -1.01 1.22 -0.48 -2.12 0.00 0.00 175.29 173.05 1x1m s LEU 32 N 1.37 3.62 0.61 2.90 0.05 -1.24 -4.96 118.68 121.03 1x1m s LEU 32 Ca 0.11 2.43 -0.17 0.00 0.05 0.00 0.00 54.13 56.55 1x1m s LEU 32 Cb -0.18 -4.60 -0.02 0.00 -2.05 0.00 0.00 46.19 39.33 1x1m s LEU 32 CO -0.20 -1.72 1.12 -2.16 -0.55 0.00 0.00 176.35 172.84 1x1m s PRO 33 N -3.39 3.04 0.75 1.48 0.04 -1.26 -4.69 135.00 130.96 1x1m s PRO 33 Ca 0.78 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 1x1m s PRO 33 Cb -0.31 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1x1m s PRO 33 CO 0.35 -1.08 1.08 -1.83 0.04 0.00 0.00 177.00 175.56 1x1m s GLU 34 N -3.76 2.47 0.39 4.56 4.04 -1.26 -5.07 118.70 120.07 1x1m s GLU 34 Ca 0.69 0.95 0.08 0.00 0.04 0.00 0.00 54.97 56.73 1x1m s GLU 34 Cb -0.22 -1.94 -0.05 0.00 0.02 0.00 0.00 34.13 31.95 1x1m s GLU 34 CO 0.35 -1.43 0.18 -0.08 -1.84 0.00 0.00 175.26 172.45 1x1m s THR 35 N -3.01 2.55 0.31 1.83 -1.32 -1.26 -5.03 115.64 109.70 1x1m s THR 35 Ca 0.60 -1.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.46 1x1m s THR 35 Cb -0.15 -2.98 0.10 0.00 -1.51 0.00 0.00 72.50 67.96 1x1m s THR 35 CO 0.55 -0.06 1.79 1.05 -2.21 0.00 0.00 174.62 175.74 1x1m h GLU 36 N 1.43 0.41 -5.77 7.08 9.09 -2.04 -3.39 114.58 121.39 1x1m h GLU 36 Ca -0.43 -0.13 -0.34 0.00 0.05 0.00 0.00 59.36 58.51 1x1m h GLU 36 Cb 1.25 -0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 28.27 1x1m h GLU 36 CO 0.67 0.59 0.87 -0.51 0.05 0.00 0.00 179.01 180.68 1x1m s LEU 37 N -8.72 3.19 0.00 3.06 2.01 -1.26 -4.88 118.68 112.08 1x1m s LEU 37 Ca -0.06 -0.45 0.00 0.00 0.01 0.00 0.00 54.13 53.63 1x1m s LEU 37 Cb 0.14 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.79 1x1m s LEU 37 CO 0.77 -2.66 0.00 0.61 1.01 0.00 0.00 176.35 176.08 1x1m n GLY 38 N 6.60 0.56 0.00 -3.19 0.00 -1.26 -4.54 105.19 103.35 1x1m n GLY 38 Ca 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.44 -0.65 1.61 0.00 -1.26 -4.54 120.64 117.24 1x1m n GLU 39 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 1x1m n GLU 39 Cb 0.00 -0.88 0.12 0.00 0.00 0.00 0.00 31.44 30.67 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 -1.16 -1.88 -1.15 -1.84 4.11 -1.26 -4.51 117.16 109.48 1x1m n TYR 40 Ca 0.00 0.20 -0.51 0.00 -0.00 0.00 0.00 57.90 57.59 1x1m n TYR 40 Cb 0.01 -1.42 -0.09 0.00 -0.00 0.00 0.00 39.34 37.84 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 -0.11 0.73 -0.22 9.48 2.88 -1.26 -4.79 113.62 120.32 1x1m n SER 41 Ca 0.03 0.68 -0.09 0.00 -1.33 0.00 0.00 58.87 58.16 1x1m n SER 41 Cb 0.42 -0.73 -0.07 0.00 -0.75 0.00 0.00 64.21 63.08 1x1m n SER 41 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1x1m h LEU 42 N 6.40 -1.46 -3.64 2.46 3.38 -1.93 -3.46 115.31 117.06 1x1m h LEU 42 Ca -0.16 0.21 -0.46 0.00 0.09 0.00 0.00 57.88 57.56 1x1m h LEU 42 Cb 1.15 0.63 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1x1m h LEU 42 CO 0.87 -0.21 -1.00 0.61 0.09 0.00 0.00 178.44 178.79 1x1m n GLY 43 N -1.21 -1.28 0.00 0.83 0.00 -1.26 -4.65 105.19 97.62 1x1m n GLY 43 Ca -0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.69 0.14 3.58 -0.02 0.00 -1.26 -4.86 105.19 101.07 1x1m n GLY 44 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 0.40 -4.17 1.61 4.02 -1.26 -4.79 117.16 112.97 1x1m n TYR 45 Ca 0.00 0.43 -0.36 0.00 -0.01 0.00 0.00 57.90 57.96 1x1m n TYR 45 Cb 0.00 -2.08 -0.08 0.00 -0.02 0.00 0.00 39.34 37.16 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1x1m s SER 46 N -1.29 5.67 0.25 7.72 0.01 -1.26 -2.20 113.70 122.59 1x1m s SER 46 Ca 0.74 0.25 -0.07 0.00 1.31 0.00 0.00 55.95 58.19 1x1m s SER 46 Cb -0.41 -1.72 0.44 0.00 0.21 0.00 0.00 66.02 64.54 1x1m s SER 46 CO 0.49 0.37 1.63 0.40 0.41 0.00 0.00 173.24 176.54 1x1m h ILE 47 N 4.15 0.33 -0.98 1.44 1.08 -1.72 0.11 117.51 121.92 1x1m h ILE 47 Ca -0.51 -0.03 0.25 0.00 -0.39 0.00 0.00 64.86 64.17 1x1m h ILE 47 Cb 1.20 0.23 -0.18 0.00 -3.07 0.00 0.00 36.82 34.99 1x1m h ILE 47 CO 0.57 0.02 -0.05 -0.24 -0.69 0.00 0.00 178.15 177.75 1x1m n SER 48 N -5.35 -0.18 0.04 1.72 2.88 -1.26 -0.90 113.62 110.56 1x1m n SER 48 Ca 0.14 1.68 -0.10 0.00 -1.33 0.00 0.00 58.87 59.26 1x1m n SER 48 Cb 0.48 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 1x1m n SER 48 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1x1m h PHE 49 N 0.00 -0.94 -0.50 0.66 3.57 -1.36 -2.69 116.94 115.68 1x1m h PHE 49 Ca 0.56 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.17 1x1m h PHE 49 Cb 1.09 0.41 -0.10 0.00 2.79 0.00 0.00 35.95 40.14 1x1m h PHE 49 CO -0.57 -0.35 -0.44 -0.07 -2.23 0.00 0.00 178.31 174.65 1x1m h LEU 50 N -0.42 -1.49 -1.00 0.59 3.38 -1.10 0.54 115.31 115.82 1x1m h LEU 50 Ca 0.00 0.23 0.27 0.00 0.09 0.00 0.00 57.88 58.47 1x1m h LEU 50 Cb 0.44 0.66 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1x1m h LEU 50 CO -0.20 -0.35 1.17 0.11 0.09 0.00 0.00 178.44 179.26 1x1m h LYS 51 N -0.28 0.00 0.06 1.13 1.57 -1.07 0.93 116.57 118.91 1x1m h LYS 51 Ca 0.16 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.72 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 -0.64 0.00 -1.12 1.96 -0.57 0.00 0.00 179.45 179.08 1x1m h GLN 52 N 0.00 0.13 0.75 3.15 4.20 0.27 -3.03 115.11 120.58 1x1m h GLN 52 Ca 0.44 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1x1m h GLN 52 Cb 2.78 0.09 0.00 0.00 0.30 0.00 0.00 27.48 30.65 1x1m h GLN 52 CO -0.00 1.11 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.80 1x1m h LEU 53 N -0.61 -0.95 -0.02 1.46 4.07 0.13 -2.32 115.31 117.06 1x1m h LEU 53 Ca -0.26 0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.77 1x1m h LEU 53 Cb 1.50 0.26 -0.04 0.00 1.08 0.00 0.00 40.66 43.46 1x1m h LEU 53 CO -0.02 -0.64 -0.18 0.40 -1.08 0.00 0.00 178.44 176.92 1x1m h ILE 54 N -1.04 0.56 -1.31 1.22 5.03 -1.47 -1.02 117.51 119.49 1x1m h ILE 54 Ca -0.10 0.00 0.38 0.00 -0.12 0.00 0.00 64.86 65.02 1x1m h ILE 54 Cb 0.81 0.56 -0.08 0.00 -3.03 0.00 0.00 36.82 35.09 1x1m h ILE 54 CO 0.15 0.00 0.91 0.00 -0.68 0.00 0.00 178.15 178.52 1x1m h ALA 55 N 0.64 2.98 0.03 1.87 0.00 -1.53 0.71 119.26 123.97 1x1m h ALA 55 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1x1m h ALA 55 Cb 0.37 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1x1m h ALA 55 CO -0.18 -1.43 -1.23 0.78 0.00 0.00 0.00 179.25 177.19 1x1m h GLY 56 N 0.10 0.07 1.97 0.00 0.00 -0.63 -3.15 103.07 101.43 1x1m h GLY 56 Ca 0.68 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.67 1x1m h GLY 56 CO -0.15 0.16 -0.72 0.50 0.00 0.00 0.00 176.54 176.33 1x1m h LYS 57 N 0.02 0.03 -0.77 4.80 1.79 0.12 -3.06 116.57 119.48 1x1m h LYS 57 Ca -0.11 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.09 1x1m h LYS 57 Cb 1.87 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 32.38 1x1m h LYS 57 CO 0.13 0.74 0.31 1.28 -1.08 0.00 0.00 179.45 180.83 1x1m n LEU 58 N -3.69 6.20 0.32 2.94 4.77 0.20 -4.58 117.00 123.16 1x1m n LEU 58 Ca -0.01 -3.27 0.09 0.00 -0.03 0.00 0.00 56.01 52.79 1x1m n LEU 58 Cb 0.70 -0.76 0.49 0.00 -2.33 0.00 0.00 43.42 41.53 1x1m n LEU 58 CO 0.44 0.84 1.05 1.56 -1.33 0.00 0.00 177.39 179.95 1x1m h GLN 59 N 2.53 0.00 -0.68 3.23 1.08 -1.49 0.58 115.11 120.36 1x1m h GLN 59 Ca 0.31 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.46 1x1m h GLN 59 Cb 2.41 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.81 1x1m h GLN 59 CO 0.78 0.00 0.25 1.05 -0.95 0.00 0.00 178.83 179.97 1x1m h GLU 60 N 0.00 1.01 0.00 1.46 4.11 -1.88 -3.37 114.58 115.90 1x1m h GLU 60 Ca 0.00 -0.18 -0.09 0.00 0.07 0.00 0.00 59.36 59.17 1x1m h GLU 60 Cb 1.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1x1m h GLU 60 CO 0.00 0.83 -1.31 0.43 0.07 0.00 0.00 179.01 179.03 1x1m n SER 61 N -4.29 2.20 -4.63 3.06 7.64 0.13 -4.98 113.62 112.75 1x1m n SER 61 Ca 0.06 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.52 1x1m n SER 61 Cb 0.19 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.10 4.12 -0.02 0.44 1.01 0.16 -4.92 120.40 119.07 1x1m s VAL 62 Ca -0.07 1.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 1x1m s VAL 62 Cb 0.02 -4.13 -0.20 0.00 0.00 0.00 0.00 36.38 32.07 1x1m s VAL 62 CO 0.11 -0.47 1.23 1.55 0.00 0.00 0.00 175.10 177.52 1x1m h PRO 63 N 9.38 -0.06 -3.53 2.72 0.13 -1.85 -3.35 132.00 135.44 1x1m h PRO 63 Ca -0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1x1m h PRO 63 Cb 1.10 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.07 1x1m h PRO 63 CO 1.03 0.41 -0.40 -0.51 -0.23 0.00 0.00 178.00 178.30 1x1m s ASP 64 N -5.61 0.02 0.26 1.44 1.01 -1.26 -5.03 116.67 107.50 1x1m s ASP 64 Ca -0.15 -0.33 0.24 0.00 0.71 0.00 0.00 52.55 53.01 1x1m s ASP 64 Cb 0.02 0.28 0.99 0.00 1.01 0.00 0.00 42.92 45.22 1x1m s ASP 64 CO 0.64 -0.53 1.71 -0.81 0.21 0.00 0.00 175.17 176.39 1x1m n PRO 65 N 0.79 0.20 0.02 8.23 -0.04 -1.26 -2.41 135.00 140.53 1x1m n PRO 65 Ca -0.19 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 1x1m n PRO 65 Cb 0.58 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.25 0.63 -0.59 0.54 1.02 -1.26 -4.00 120.64 114.74 1x1m n GLU 66 Ca 0.02 0.10 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1x1m n GLU 66 Cb 0.23 -1.72 0.24 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.73 4.14 0.00 -4.62 4.77 -1.01 -4.90 117.00 112.65 1x1m n LEU 67 Ca -0.11 -2.11 -0.18 0.00 -0.03 0.00 0.00 56.01 53.58 1x1m n LEU 67 Cb 0.80 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1x1m n LEU 67 CO 0.43 0.53 -0.02 2.30 -1.33 0.00 0.00 177.39 179.30 1x1m n ILE 68 N 0.27 0.00 -3.83 -0.08 -6.64 -1.22 -3.25 119.36 104.61 1x1m n ILE 68 Ca 0.20 -2.26 -0.11 0.00 -1.77 0.00 0.00 62.75 58.81 1x1m n ILE 68 Cb 0.89 1.19 -0.08 0.00 -1.44 0.00 0.00 39.64 40.20 1x1m n ILE 68 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 1x1m s ASP 69 N -3.29 -0.01 -0.19 7.28 1.01 0.14 -4.75 116.67 116.87 1x1m s ASP 69 Ca 0.37 -0.29 -0.09 0.00 0.71 0.00 0.00 52.55 53.25 1x1m s ASP 69 Cb 0.01 0.29 -0.05 0.00 1.01 0.00 0.00 42.92 44.19 1x1m s ASP 69 CO 0.26 -0.54 0.10 -0.22 0.21 0.00 0.00 175.17 174.98 1x1m s LEU 70 N -1.97 4.01 -0.15 1.23 2.96 -1.26 -0.15 118.68 123.35 1x1m s LEU 70 Ca -0.07 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1x1m s LEU 70 Cb -0.02 -2.03 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 1x1m s LEU 70 CO -0.03 0.17 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.40 1x1m s ILE 71 N 0.38 2.76 -0.03 6.68 -1.09 0.19 -1.09 121.20 129.01 1x1m s ILE 71 Ca 0.05 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1x1m s ILE 71 Cb -0.12 -2.17 0.01 0.00 -1.58 0.00 0.00 42.46 38.60 1x1m s ILE 71 CO -0.01 0.51 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.67 1x1m s TYR 72 N 0.77 0.83 -1.58 3.97 5.04 0.35 -0.66 117.35 126.07 1x1m s TYR 72 Ca -0.06 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 1x1m s TYR 72 Cb -0.15 -0.61 0.00 0.00 0.35 0.00 0.00 41.96 41.54 1x1m s TYR 72 CO 0.01 -0.10 0.00 0.00 -1.34 0.00 0.00 175.55 174.11 1x1m n GLY 74 N -0.77 0.57 2.92 0.00 0.00 -1.26 -5.03 105.19 101.62 1x1m n GLY 74 Ca -0.20 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.16 0.08 0.73 1.61 1.70 0.59 -5.14 118.95 116.37 1x1m s ARG 75 Ca 0.00 0.30 -0.15 0.00 -0.47 0.00 0.00 55.73 55.41 1x1m s ARG 75 Cb 0.00 -0.13 0.04 0.00 -0.57 0.00 0.00 34.95 34.29 1x1m s ARG 75 CO 0.00 -0.13 1.21 0.21 -1.08 0.00 0.00 175.30 175.51 1x1m s LYS 76 N 0.90 2.14 -0.13 3.89 2.20 -1.26 -0.49 119.74 126.98 1x1m s LYS 76 Ca -0.07 1.79 -0.00 0.00 -0.36 0.00 0.00 55.97 57.33 1x1m s LYS 76 Cb -0.09 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.38 1x1m s LYS 76 CO -0.04 -1.84 -0.13 -0.51 -0.36 0.00 0.00 175.35 172.46 1x1m s LEU 77 N -5.12 2.69 0.56 5.43 1.43 -0.25 -4.81 118.68 118.60 1x1m s LEU 77 Ca 0.75 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1x1m s LEU 77 Cb -0.30 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1x1m s LEU 77 CO 0.45 0.16 0.96 -0.54 0.23 0.00 0.00 176.35 177.61 1x1m s LYS 78 N 0.37 3.66 0.00 1.70 1.02 -1.26 -4.64 119.74 120.58 1x1m s LYS 78 Ca -0.11 0.65 0.31 0.00 0.02 0.00 0.00 55.97 56.84 1x1m s LYS 78 Cb -0.16 -2.17 1.77 0.00 -0.52 0.00 0.00 37.83 36.75 1x1m s LYS 78 CO 0.06 -0.41 2.14 -0.40 -0.92 0.00 0.00 175.35 175.82 1x1m n ASP 79 N -2.36 0.00 -1.08 2.83 5.68 -1.26 -2.78 116.55 117.58 1x1m n ASP 79 Ca 0.05 -0.80 0.11 0.00 -0.50 0.00 0.00 54.79 53.66 1x1m n ASP 79 Cb 0.54 -0.06 0.19 0.00 -1.14 0.00 0.00 41.12 40.65 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 -1.06 3.33 -4.92 -1.12 8.00 -1.26 -4.44 116.55 115.08 1x1m n ASP 80 Ca 0.21 -1.97 -0.25 0.00 0.71 0.00 0.00 54.79 53.49 1x1m n ASP 80 Cb 0.13 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.53 2.29 0.17 -1.24 -1.52 -1.12 -5.04 119.66 111.67 1x1m s GLN 81 Ca 0.36 -1.91 0.01 0.00 -1.95 0.00 0.00 55.36 51.86 1x1m s GLN 81 Cb 0.21 -2.21 -0.04 0.00 -0.22 0.00 0.00 33.01 30.75 1x1m s GLN 81 CO 0.30 -0.60 0.03 0.95 -0.25 0.00 0.00 175.29 175.72 1x1m s THR 82 N -2.72 0.46 0.12 -0.19 -4.23 -1.26 -2.76 115.64 105.06 1x1m s THR 82 Ca 0.40 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 1x1m s THR 82 Cb -0.03 -2.14 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 1x1m s THR 82 CO 0.25 -0.43 1.63 -0.07 -0.54 0.00 0.00 174.62 175.46 1x1m h LEU 83 N 2.73 -0.78 -1.24 4.79 -0.00 -1.75 -1.68 115.31 117.37 1x1m h LEU 83 Ca -0.36 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1x1m h LEU 83 Cb 1.21 0.32 -0.03 0.00 -0.00 0.00 0.00 40.66 42.15 1x1m h LEU 83 CO 0.61 -0.33 0.44 -0.78 -0.00 0.00 0.00 178.44 178.38 1x1m h ASP 84 N -0.39 0.83 -0.46 -0.43 1.82 -1.86 0.29 116.42 116.23 1x1m h ASP 84 Ca 0.07 -0.04 0.09 0.00 -0.39 0.00 0.00 57.03 56.76 1x1m h ASP 84 Cb 0.49 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.20 1x1m h ASP 84 CO -0.24 0.63 -0.07 0.15 -1.61 0.00 0.00 179.24 178.10 1x1m h PHE 85 N 0.97 -0.17 0.00 0.28 3.04 -1.70 -1.93 116.94 117.43 1x1m h PHE 85 Ca 0.26 0.04 -0.20 0.00 3.98 0.00 0.00 57.97 62.05 1x1m h PHE 85 Cb -0.06 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 1x1m h PHE 85 CO 0.00 -0.17 -1.10 1.88 -2.02 0.00 0.00 178.31 176.91 1x1m h TYR 86 N 0.04 0.00 0.00 0.41 0.05 -1.11 -3.48 116.97 112.87 1x1m h TYR 86 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1x1m h TYR 86 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1x1m h TYR 86 CO -0.36 0.81 0.00 0.41 -1.05 0.00 0.00 178.16 177.97 1x1m n GLY 87 N 1.37 1.03 3.70 3.88 0.00 0.90 -5.08 105.19 111.01 1x1m n GLY 87 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1x1m n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x1m n ILE 88 N -1.91 4.21 -4.12 -0.61 5.41 -0.41 -4.95 119.36 116.98 1x1m n ILE 88 Ca 0.00 -0.44 -0.09 0.00 1.00 0.00 0.00 62.75 63.22 1x1m n ILE 88 Cb 0.00 -1.39 -0.10 0.00 -0.71 0.00 0.00 39.64 37.44 1x1m n ILE 88 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1x1m s GLN 89 N -3.45 0.69 -1.16 0.38 -0.21 -1.26 -4.66 119.66 109.97 1x1m s GLN 89 Ca 0.80 -1.19 -0.23 0.00 0.02 0.00 0.00 55.36 54.76 1x1m s GLN 89 Cb -0.36 -0.03 -0.08 0.00 1.00 0.00 0.00 33.01 33.53 1x1m s GLN 89 CO 0.43 -0.05 1.93 -1.25 -2.12 0.00 0.00 175.29 174.24 1x1m s PRO 90 N -3.52 2.50 0.00 2.91 0.04 -1.26 -2.76 135.00 132.91 1x1m s PRO 90 Ca 0.06 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 60.00 1x1m s PRO 90 Cb 0.04 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1x1m s PRO 90 CO -0.06 -3.93 0.00 0.41 0.04 0.00 0.00 177.00 173.46 1x1m n GLY 91 N 5.89 0.18 2.34 0.56 0.00 -1.23 -4.78 105.19 108.14 1x1m n GLY 91 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.40 -3.92 1.61 7.64 -1.11 -4.64 113.62 110.80 1x1m n SER 92 Ca 0.00 -0.83 -0.19 0.00 1.01 0.00 0.00 58.87 58.86 1x1m n SER 92 Cb 0.00 -0.69 -0.16 0.00 -1.01 0.00 0.00 64.21 62.35 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 -2.15 0.53 0.17 0.44 2.01 -1.26 -2.45 115.64 112.94 1x1m s THR 93 Ca 0.48 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.39 1x1m s THR 93 Cb -0.06 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1x1m s THR 93 CO 0.38 0.20 -0.07 0.68 -0.69 0.00 0.00 174.62 175.12 1x1m s VAL 94 N 0.59 3.35 -0.07 3.82 -7.23 -1.19 -4.69 120.40 115.00 1x1m s VAL 94 Ca -0.08 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 1x1m s VAL 94 Cb -0.11 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1x1m s VAL 94 CO 0.00 -0.09 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.47 1x1m s HIS 95 N -1.67 2.51 -0.12 2.82 3.76 0.16 -1.88 115.29 120.87 1x1m s HIS 95 Ca 0.25 -0.68 -0.19 0.00 -0.15 0.00 0.00 55.06 54.29 1x1m s HIS 95 Cb -0.09 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1x1m s HIS 95 CO 0.16 -0.19 0.51 0.08 -0.85 0.00 0.00 174.74 174.44 1x1m s VAL 96 N -0.14 5.16 -0.14 -0.90 1.01 -1.21 0.56 120.40 124.75 1x1m s VAL 96 Ca -0.04 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1x1m s VAL 96 Cb -0.14 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1x1m s VAL 96 CO 0.04 0.30 -0.15 -0.22 0.00 0.00 0.00 175.10 175.07 1x1m s LEU 97 N 0.78 2.52 -0.10 3.92 1.98 0.79 -3.18 118.68 125.39 1x1m s LEU 97 Ca 0.27 -0.44 -0.30 0.00 -2.89 0.00 0.00 54.13 50.78 1x1m s LEU 97 Cb -0.15 -1.57 -0.02 0.00 0.66 0.00 0.00 46.19 45.11 1x1m s LEU 97 CO 0.11 0.11 1.10 -0.13 -1.89 0.00 0.00 176.35 175.65 1x1m s ARG 98 N 0.66 4.37 0.20 1.98 1.81 -1.26 0.28 118.95 126.98 1x1m s ARG 98 Ca -0.08 1.51 -0.11 0.00 -1.72 0.00 0.00 55.73 55.34 1x1m s ARG 98 Cb -0.16 -3.57 0.25 0.00 -0.45 0.00 0.00 34.95 31.02 1x1m s ARG 98 CO 0.02 -0.43 1.73 0.87 -0.68 0.00 0.00 175.30 176.81 1x1m h LYS 99 N 7.35 0.31 -6.35 3.54 1.57 -1.84 -3.41 116.57 117.73 1x1m h LYS 99 Ca -0.31 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 57.84 1x1m h LYS 99 Cb 1.14 -0.07 0.03 0.00 0.08 0.00 0.00 32.23 33.41 1x1m h LYS 99 CO 0.89 0.21 0.94 0.45 -0.57 0.00 0.00 179.45 181.36 1x1m n SER 100 N -5.06 3.14 -4.74 0.86 2.88 -1.26 -4.93 113.62 104.51 1x1m n SER 100 Ca 0.07 1.03 -0.40 0.00 -1.33 0.00 0.00 58.87 58.24 1x1m n SER 100 Cb 0.27 -1.37 -0.05 0.00 -0.75 0.00 0.00 64.21 62.31 1x1m n SER 100 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1x1m s TRP 101 N 2.64 3.70 0.13 0.66 -0.00 -1.26 -4.96 118.94 119.84 1x1m s TRP 101 Ca 0.87 1.44 -0.23 0.00 -0.00 0.00 0.00 56.10 58.19 1x1m s TRP 101 Cb -0.73 -2.84 -0.03 0.00 -0.00 0.00 0.00 33.47 29.88 1x1m s TRP 101 CO 0.47 0.21 1.18 0.43 -0.00 0.00 0.00 176.95 179.25 1x1m n SER 102 N 3.08 -0.78 -1.19 5.86 7.64 -1.26 -4.89 113.62 122.08 1x1m n SER 102 Ca -0.02 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1x1m n SER 102 Cb 0.50 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1x1m n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1m n GLY 103 N -1.21 -0.32 3.55 0.23 0.00 -1.26 -4.95 105.19 101.23 1x1m n GLY 103 Ca 0.02 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1x1m n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1m s PRO 104 N -1.40 2.64 -1.17 1.61 0.04 -1.26 -4.90 135.00 130.56 1x1m s PRO 104 Ca 0.00 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 61.45 1x1m s PRO 104 Cb 0.00 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 1x1m s PRO 104 CO 0.00 -2.72 1.86 0.45 0.04 0.00 0.00 177.00 176.63 1x1m s SER 105 N 8.08 5.58 0.00 6.66 0.15 -1.26 -4.94 113.70 127.97 1x1m s SER 105 Ca 0.67 -1.73 -0.30 0.00 0.70 0.00 0.00 55.95 55.30 1x1m s SER 105 Cb -0.13 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1x1m s SER 105 CO 0.21 -2.47 0.99 -0.55 1.20 0.00 0.00 173.24 172.61 1x1m s SER 106 N 6.03 7.36 0.00 5.45 0.15 -1.26 -5.35 113.70 126.08 1x1m s SER 106 Ca 0.64 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.96 1x1m s SER 106 Cb -0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1x1m s SER 106 CO 0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.87