#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 -0.34 -2.89 1.61 4.64 -2.08 -3.43 113.55 111.07 1x1m h SER 2 Ca 0.00 0.14 -0.46 0.00 -0.47 0.00 0.00 61.79 61.00 1x1m h SER 2 Cb 0.00 0.26 0.10 0.00 -0.31 0.00 0.00 62.40 62.46 1x1m h SER 2 CO 0.00 -0.12 0.21 -0.55 -0.87 0.00 0.00 176.83 175.49 1x1m s SER 3 N -5.23 4.09 -0.01 4.97 0.15 -1.26 -4.76 113.70 111.64 1x1m s SER 3 Ca -0.14 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.44 1x1m s SER 3 Cb 0.16 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1x1m s SER 3 CO 0.72 -2.05 0.00 0.61 1.20 0.00 0.00 173.24 173.72 1x1m n GLY 4 N -3.09 -0.13 3.01 9.45 0.00 -1.26 -4.93 105.19 108.23 1x1m n GLY 4 Ca 0.14 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.69 4.66 0.15 1.61 0.15 -1.26 -4.96 113.70 113.35 1x1m s SER 5 Ca -0.00 -2.63 -0.22 0.00 0.70 0.00 0.00 55.95 53.80 1x1m s SER 5 Cb 0.00 -1.68 0.06 0.00 -1.71 0.00 0.00 66.02 62.69 1x1m s SER 5 CO 0.02 -0.32 0.56 -0.55 1.20 0.00 0.00 173.24 174.15 1x1m s SER 6 N 0.40 -0.49 -0.01 5.45 0.15 -1.26 -5.18 113.70 112.76 1x1m s SER 6 Ca 0.14 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 1x1m s SER 6 Cb -0.23 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x1m s SER 6 CO -0.03 -0.95 0.03 -0.83 1.20 0.00 0.00 173.24 172.65 1x1m s GLY 7 N -2.76 -0.02 -0.16 9.45 0.00 -1.26 -5.14 107.32 107.42 1x1m s GLY 7 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 44.72 44.77 1x1m s GLY 7 CO -0.12 0.06 -0.04 1.06 0.00 0.00 0.00 173.10 174.05 1x1m s MET 8 N -0.01 3.61 0.53 2.90 1.00 -1.26 -5.11 119.30 120.95 1x1m s MET 8 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 55.69 55.19 1x1m s MET 8 Cb -0.00 -2.91 0.05 0.00 0.00 0.00 0.00 34.83 31.97 1x1m s MET 8 CO 0.00 0.17 0.40 -1.13 0.00 0.00 0.00 175.02 174.46 1x1m n SER 9 N 3.72 2.70 -4.69 3.03 3.41 -1.26 -5.15 113.62 115.38 1x1m n SER 9 Ca -0.17 -2.82 -0.24 0.00 -0.26 0.00 0.00 58.87 55.37 1x1m n SER 9 Cb 0.52 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1x1m n SER 9 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x1m s LEU 10 N 0.00 3.13 0.37 1.04 1.02 -1.26 -5.15 118.68 117.83 1x1m s LEU 10 Ca 0.30 -0.90 -0.12 0.00 0.02 0.00 0.00 54.13 53.43 1x1m s LEU 10 Cb -0.02 -1.54 0.04 0.00 0.02 0.00 0.00 46.19 44.68 1x1m s LEU 10 CO 0.19 -0.30 0.69 -0.44 0.02 0.00 0.00 176.35 176.51 1x1m s SER 11 N -3.80 0.27 0.05 2.29 0.01 -1.26 -5.01 113.70 106.24 1x1m s SER 11 Ca 0.37 -1.23 -0.00 0.00 1.31 0.00 0.00 55.95 56.40 1x1m s SER 11 Cb -0.01 0.79 -0.00 0.00 0.21 0.00 0.00 66.02 67.02 1x1m s SER 11 CO 0.21 -1.56 -0.00 -0.67 0.41 0.00 0.00 173.24 171.62 1x1m n ASP 12 N -1.38 0.62 -4.69 2.44 -0.08 -1.26 -5.02 116.55 107.18 1x1m n ASP 12 Ca -0.05 0.08 -0.42 0.00 -1.51 0.00 0.00 54.79 52.88 1x1m n ASP 12 Cb 0.60 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.84 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 -1.56 2.12 0.15 -0.67 -0.11 -1.26 -4.99 118.94 112.62 1x1m s TRP 13 Ca -0.00 0.02 0.05 0.00 1.22 0.00 0.00 56.10 57.38 1x1m s TRP 13 Cb 0.00 -4.13 -0.04 0.00 -1.50 0.00 0.00 33.47 27.80 1x1m s TRP 13 CO 0.01 -4.69 -0.11 -3.38 -4.62 0.00 0.00 176.95 164.16 1x1m s HIS 14 N 2.90 1.33 0.04 5.86 -3.43 -1.26 -4.11 115.29 116.62 1x1m s HIS 14 Ca 0.80 -0.70 -0.04 0.00 -0.80 0.00 0.00 55.06 54.31 1x1m s HIS 14 Cb -0.44 -0.67 -0.02 0.00 -1.43 0.00 0.00 32.58 30.02 1x1m s HIS 14 CO 0.36 0.12 0.07 -1.17 -2.00 0.00 0.00 174.74 172.12 1x1m s LEU 15 N -3.07 1.94 0.07 5.38 2.96 -0.90 -2.57 118.68 122.49 1x1m s LEU 15 Ca 0.16 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1x1m s LEU 15 Cb 0.01 0.52 -0.04 0.00 0.50 0.00 0.00 46.19 47.18 1x1m s LEU 15 CO 0.02 -0.53 0.14 0.00 -1.32 0.00 0.00 176.35 174.66 1x1m s ALA 16 N -2.90 3.77 0.00 5.97 0.00 -0.88 -1.32 121.76 126.41 1x1m s ALA 16 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1x1m s ALA 16 Cb 0.01 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1x1m s ALA 16 CO -0.06 0.78 -0.01 0.08 0.00 0.00 0.00 175.76 176.55 1x1m s VAL 17 N -1.45 0.06 -0.05 0.00 1.01 -0.82 -2.76 120.40 116.39 1x1m s VAL 17 Ca 0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1x1m s VAL 17 Cb -0.13 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1x1m s VAL 17 CO 0.25 -0.09 -0.00 -0.54 0.00 0.00 0.00 175.10 174.72 1x1m s LYS 18 N -0.29 0.46 -0.35 2.72 -0.14 -0.02 -1.56 119.74 120.56 1x1m s LYS 18 Ca -0.03 0.09 -0.28 0.00 -1.36 0.00 0.00 55.97 54.39 1x1m s LYS 18 Cb -0.02 -0.72 -0.02 0.00 -1.68 0.00 0.00 37.83 35.39 1x1m s LYS 18 CO -0.00 -0.21 1.79 -1.17 -0.76 0.00 0.00 175.35 175.00 1x1m s LEU 19 N 1.47 3.50 0.34 3.17 2.96 -1.26 -2.36 118.68 126.49 1x1m s LEU 19 Ca -0.03 1.23 0.07 0.00 -0.22 0.00 0.00 54.13 55.18 1x1m s LEU 19 Cb -0.13 -3.46 0.75 0.00 0.50 0.00 0.00 46.19 43.86 1x1m s LEU 19 CO -0.03 -1.73 1.86 0.00 -1.32 0.00 0.00 176.35 175.13 1x1m h ALA 20 N 12.90 1.75 0.00 5.97 0.00 -1.78 0.21 119.26 138.31 1x1m h ALA 20 Ca -0.33 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1x1m h ALA 20 Cb 1.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1x1m h ALA 20 CO 1.04 0.01 -0.22 -0.44 0.00 0.00 0.00 179.25 179.64 1x1m h ASP 21 N 0.77 0.00 -2.91 0.00 3.32 -1.89 -3.36 116.42 112.34 1x1m h ASP 21 Ca 0.46 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.90 1x1m h ASP 21 Cb 0.65 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.80 1x1m h ASP 21 CO -0.22 0.22 -0.80 -1.10 -1.72 0.00 0.00 179.24 175.62 1x1m s GLN 22 N -3.79 1.27 0.00 3.56 -0.21 0.73 -4.95 119.66 116.27 1x1m s GLN 22 Ca -0.00 -2.19 0.15 0.00 0.02 0.00 0.00 55.36 53.34 1x1m s GLN 22 Cb 0.11 -2.08 0.78 0.00 1.00 0.00 0.00 33.01 32.82 1x1m s GLN 22 CO 0.63 -1.27 1.40 -0.35 -2.12 0.00 0.00 175.29 173.58 1x1m n PRO 23 N 3.10 0.25 -0.07 2.91 -0.04 -1.12 -2.31 135.00 137.72 1x1m n PRO 23 Ca 0.18 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 1x1m n PRO 23 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.24 0.00 -4.43 1.53 4.77 -1.26 -5.00 117.00 111.37 1x1m n LEU 24 Ca 0.08 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 1x1m n LEU 24 Cb 0.11 0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1x1m n LEU 24 CO 0.11 0.33 -0.06 0.00 -1.33 0.00 0.00 177.39 176.44 1x1m n ALA 25 N -2.56 -1.87 -2.20 -1.18 0.00 -0.98 -4.88 120.51 106.85 1x1m n ALA 25 Ca -0.23 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1x1m n ALA 25 Cb 0.95 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.66 4.31 0.26 0.00 0.04 -1.26 -4.91 135.00 130.78 1x1m s PRO 26 Ca 0.63 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.43 1x1m s PRO 26 Cb -0.34 -3.36 -0.15 0.00 0.04 0.00 0.00 34.50 30.68 1x1m s PRO 26 CO 0.60 -0.47 0.72 1.17 0.04 0.00 0.00 177.00 179.06 1x1m n LYS 27 N 4.40 0.61 -3.84 4.56 4.81 -1.26 -4.94 118.16 122.51 1x1m n LYS 27 Ca 0.12 0.22 -0.36 0.00 -0.87 0.00 0.00 58.31 57.41 1x1m n LYS 27 Cb 0.43 -1.39 -0.13 0.00 0.02 0.00 0.00 35.03 33.96 1x1m n LYS 27 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x1m s SER 28 N -0.81 5.09 -0.03 3.14 0.15 -0.60 -4.97 113.70 115.67 1x1m s SER 28 Ca 0.62 -1.31 -0.30 0.00 0.70 0.00 0.00 55.95 55.66 1x1m s SER 28 Cb -0.80 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1x1m s SER 28 CO 0.58 -0.32 1.02 -0.63 1.20 0.00 0.00 173.24 175.09 1x1m s ILE 29 N 1.30 4.74 0.10 6.45 -1.09 -1.26 -1.94 121.20 129.50 1x1m s ILE 29 Ca -0.02 1.98 0.05 0.00 -2.23 0.00 0.00 60.65 60.43 1x1m s ILE 29 Cb -0.20 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 1x1m s ILE 29 CO 0.00 0.10 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.59 1x1m s LEU 30 N 1.36 3.42 -0.29 2.97 2.96 -0.43 -4.99 118.68 123.68 1x1m s LEU 30 Ca 0.52 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1x1m s LEU 30 Cb -0.21 -2.15 0.09 0.00 0.50 0.00 0.00 46.19 44.42 1x1m s LEU 30 CO 0.25 0.16 0.07 -1.10 -1.32 0.00 0.00 176.35 174.41 1x1m s GLN 31 N -2.38 0.87 0.57 1.98 -0.21 -1.26 -2.11 119.66 117.11 1x1m s GLN 31 Ca 0.26 -1.03 -0.18 0.00 0.02 0.00 0.00 55.36 54.43 1x1m s GLN 31 Cb -0.11 -2.18 -0.05 0.00 1.00 0.00 0.00 33.01 31.67 1x1m s GLN 31 CO 0.18 -0.89 1.09 -0.48 -2.12 0.00 0.00 175.29 173.07 1x1m s LEU 32 N 1.57 3.63 -0.43 2.90 0.05 -1.26 -4.94 118.68 120.20 1x1m s LEU 32 Ca 0.06 2.00 -0.28 0.00 0.05 0.00 0.00 54.13 55.97 1x1m s LEU 32 Cb -0.18 -4.56 -0.01 0.00 -2.05 0.00 0.00 46.19 39.39 1x1m s LEU 32 CO -0.19 -1.20 1.75 -2.16 -0.55 0.00 0.00 176.35 174.00 1x1m s PRO 33 N -3.63 3.15 0.60 1.48 0.04 -1.26 -4.88 135.00 130.49 1x1m s PRO 33 Ca 0.68 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.72 1x1m s PRO 33 Cb -0.20 -4.23 0.14 0.00 0.04 0.00 0.00 34.50 30.25 1x1m s PRO 33 CO 0.31 -2.08 0.31 -0.85 0.04 0.00 0.00 177.00 174.72 1x1m n GLU 34 N 8.61 -1.85 -3.51 4.56 0.28 -1.26 -5.02 120.64 122.45 1x1m n GLU 34 Ca 0.21 -0.52 -0.19 0.00 -0.16 0.00 0.00 57.16 56.50 1x1m n GLU 34 Cb 0.49 -0.82 -0.01 0.00 1.43 0.00 0.00 31.44 32.52 1x1m n GLU 34 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1x1m s THR 35 N -1.38 3.61 -0.12 3.84 -4.23 -1.26 -5.04 115.64 111.05 1x1m s THR 35 Ca 0.24 -1.14 0.19 0.00 -1.18 0.00 0.00 61.69 59.79 1x1m s THR 35 Cb -0.04 -3.24 -0.22 0.00 1.34 0.00 0.00 72.50 70.33 1x1m s THR 35 CO 0.20 -0.12 0.51 -0.62 -0.54 0.00 0.00 174.62 174.05 1x1m n GLU 36 N -1.58 0.65 -0.21 3.99 1.02 -1.26 -4.07 120.64 119.18 1x1m n GLU 36 Ca 0.01 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.20 1x1m n GLU 36 Cb 0.59 -1.63 0.13 0.00 -0.02 0.00 0.00 31.44 30.50 1x1m n GLU 36 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1m n LEU 37 N -2.63 1.96 -0.10 -4.62 7.99 -1.26 -4.94 117.00 113.39 1x1m n LEU 37 Ca -0.14 -0.99 0.00 0.00 -0.01 0.00 0.00 56.01 54.88 1x1m n LEU 37 Cb 0.82 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1x1m n LEU 37 CO 0.44 0.36 0.00 0.61 -1.51 0.00 0.00 177.39 177.29 1x1m n GLY 38 N 0.58 0.35 3.60 -0.72 0.00 -1.26 -4.96 105.19 102.79 1x1m n GLY 38 Ca 0.09 -1.11 -0.61 0.00 0.00 0.00 0.00 46.02 44.39 1x1m n GLY 38 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x1m n GLU 39 N 2.42 0.21 -2.92 1.61 2.13 -1.26 -4.86 120.64 117.97 1x1m n GLU 39 Ca 0.00 0.08 -0.08 0.00 0.66 0.00 0.00 57.16 57.81 1x1m n GLU 39 Cb 0.00 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.08 1x1m n GLU 39 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1x1m n TYR 40 N 2.68 -0.77 -1.55 4.31 0.18 -1.26 -5.05 117.16 115.70 1x1m n TYR 40 Ca 0.24 -1.29 -0.13 0.00 1.88 0.00 0.00 57.90 58.60 1x1m n TYR 40 Cb 0.05 0.24 -0.09 0.00 -0.38 0.00 0.00 39.34 39.16 1x1m n TYR 40 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1x1m n SER 41 N -2.03 1.36 0.00 9.48 3.41 -1.26 -4.81 113.62 119.77 1x1m n SER 41 Ca 0.02 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1x1m n SER 41 Cb 0.30 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 1x1m n SER 41 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x1m n LEU 42 N 18.13 0.00 -3.98 1.04 4.77 -1.26 -4.75 117.00 130.96 1x1m n LEU 42 Ca 0.45 0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 56.67 1x1m n LEU 42 Cb 0.43 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1x1m n LEU 42 CO 0.59 -0.23 -0.12 0.61 -1.33 0.00 0.00 177.39 176.91 1x1m n GLY 43 N -0.95 -0.60 0.00 -0.72 0.00 -1.26 -4.59 105.19 97.07 1x1m n GLY 43 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.76 0.02 3.69 -0.02 0.00 -1.26 -4.90 105.19 100.96 1x1m n GLY 44 Ca -0.08 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.39 2.32 -3.58 1.61 4.01 -1.26 -4.88 117.16 115.00 1x1m n TYR 45 Ca 0.00 0.43 -0.36 0.00 -0.16 0.00 0.00 57.90 57.81 1x1m n TYR 45 Cb 0.00 -2.47 -0.07 0.00 -0.31 0.00 0.00 39.34 36.49 1x1m n TYR 45 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1x1m s SER 46 N 0.18 6.45 0.17 7.72 0.01 -1.26 -2.64 113.70 124.33 1x1m s SER 46 Ca 0.64 0.53 -0.11 0.00 1.31 0.00 0.00 55.95 58.32 1x1m s SER 46 Cb -0.60 -2.17 0.21 0.00 0.21 0.00 0.00 66.02 63.66 1x1m s SER 46 CO 0.53 0.15 1.13 -0.38 0.41 0.00 0.00 173.24 175.07 1x1m n ILE 47 N 3.26 -0.37 -0.36 1.44 2.08 -0.94 0.83 119.36 125.30 1x1m n ILE 47 Ca -0.13 1.69 0.03 0.00 0.56 0.00 0.00 62.75 64.90 1x1m n ILE 47 Cb 0.52 -2.25 0.10 0.00 -0.75 0.00 0.00 39.64 37.26 1x1m n ILE 47 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1x1m n SER 48 N -5.09 -0.46 -0.13 4.38 3.41 -1.26 -1.00 113.62 113.47 1x1m n SER 48 Ca 0.08 1.68 -0.07 0.00 -0.26 0.00 0.00 58.87 60.30 1x1m n SER 48 Cb 0.30 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1x1m n SER 48 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1x1m h PHE 49 N 0.00 -1.03 -0.45 7.33 3.57 0.02 -1.20 116.94 125.19 1x1m h PHE 49 Ca 0.42 0.06 0.09 0.00 3.53 0.00 0.00 57.97 62.07 1x1m h PHE 49 Cb 0.66 0.49 -0.09 0.00 2.79 0.00 0.00 35.95 39.80 1x1m h PHE 49 CO -0.79 -0.26 -0.20 -0.07 -2.23 0.00 0.00 178.31 174.76 1x1m h LEU 50 N -0.15 -0.70 -1.11 0.59 3.38 -1.13 0.45 115.31 116.63 1x1m h LEU 50 Ca 0.06 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1x1m h LEU 50 Cb 0.31 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1x1m h LEU 50 CO -0.41 -0.23 0.63 0.11 0.09 0.00 0.00 178.44 178.62 1x1m h LYS 51 N -0.11 0.00 0.00 1.13 1.57 -0.49 0.64 116.57 119.31 1x1m h LYS 51 Ca 0.21 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.79 1x1m h LYS 51 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1x1m h LYS 51 CO -0.52 0.00 -1.21 1.04 -0.57 0.00 0.00 179.45 178.19 1x1m n GLN 52 N -2.72 0.55 -0.23 3.15 6.02 0.15 -3.25 117.38 121.05 1x1m n GLN 52 Ca -0.01 0.55 0.02 0.00 -0.01 0.00 0.00 57.00 57.55 1x1m n GLN 52 Cb 0.66 -1.72 0.14 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.00 0.29 0.35 1.08 4.07 -0.33 0.15 115.31 119.92 1x1m h LEU 53 Ca -0.31 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 1x1m h LEU 53 Cb 1.19 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1x1m h LEU 53 CO -0.19 0.15 -0.17 0.40 -1.08 0.00 0.00 178.44 177.56 1x1m h ILE 54 N 0.46 0.65 -0.22 1.22 5.03 -1.37 -2.27 117.51 121.01 1x1m h ILE 54 Ca 0.35 -0.46 0.06 0.00 -0.12 0.00 0.00 64.86 64.69 1x1m h ILE 54 Cb 0.45 0.88 -0.01 0.00 -3.03 0.00 0.00 36.82 35.11 1x1m h ILE 54 CO -0.33 0.09 0.23 0.00 -0.68 0.00 0.00 178.15 177.46 1x1m h ALA 55 N -0.20 1.91 0.00 1.87 0.00 -1.45 0.36 119.26 121.76 1x1m h ALA 55 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x1m h ALA 55 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x1m h ALA 55 CO 0.08 -0.34 -0.21 0.78 0.00 0.00 0.00 179.25 179.56 1x1m h GLY 56 N 0.00 0.00 0.02 0.00 0.00 -0.46 -3.00 103.07 99.64 1x1m h GLY 56 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.06 1x1m h GLY 56 CO -0.00 0.00 -2.40 0.28 0.00 0.00 0.00 176.54 174.42 1x1m n LYS 57 N -2.74 0.68 -1.15 4.80 4.76 0.56 -4.34 118.16 120.73 1x1m n LYS 57 Ca 0.04 0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 1x1m n LYS 57 Cb 0.50 -1.52 0.24 0.00 -1.84 0.00 0.00 35.03 32.40 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 -2.86 6.48 0.26 -0.35 4.77 0.96 -4.59 117.00 121.69 1x1m n LEU 58 Ca -0.35 -3.45 0.09 0.00 -0.03 0.00 0.00 56.01 52.27 1x1m n LEU 58 Cb 1.13 -0.80 0.49 0.00 -2.33 0.00 0.00 43.42 41.91 1x1m n LEU 58 CO 0.40 0.95 0.97 1.56 -1.33 0.00 0.00 177.39 179.93 1x1m h GLN 59 N 1.74 0.00 -0.27 3.23 4.20 -1.65 0.48 115.11 122.85 1x1m h GLN 59 Ca 0.48 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.11 1x1m h GLN 59 Cb 2.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.42 1x1m h GLN 59 CO 0.95 0.00 -0.16 1.05 -0.67 0.00 0.00 178.83 180.01 1x1m h GLU 60 N 0.00 0.46 0.00 1.46 4.11 -1.89 -3.36 114.58 115.37 1x1m h GLU 60 Ca 0.00 -0.14 -0.14 0.00 0.07 0.00 0.00 59.36 59.15 1x1m h GLU 60 Cb 0.87 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1x1m h GLU 60 CO 0.00 0.61 -1.51 0.45 0.07 0.00 0.00 179.01 178.63 1x1m n SER 61 N -4.19 2.72 -4.63 3.06 2.88 0.13 -4.97 113.62 108.62 1x1m n SER 61 Ca 0.00 -0.01 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1x1m n SER 61 Cb 0.34 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.56 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 -2.18 4.98 -0.02 2.46 1.01 0.89 -4.97 120.40 122.57 1x1m s VAL 62 Ca -0.12 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 1x1m s VAL 62 Cb 0.04 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.28 1x1m s VAL 62 CO 0.20 0.03 1.22 1.55 0.00 0.00 0.00 175.10 178.10 1x1m h PRO 63 N 7.85 -0.07 -3.08 2.72 0.13 -1.86 -3.34 132.00 134.36 1x1m h PRO 63 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1x1m h PRO 63 Cb 1.12 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.07 1x1m h PRO 63 CO 0.78 0.40 -0.27 -0.51 -0.23 0.00 0.00 178.00 178.17 1x1m s ASP 64 N -5.60 -0.18 0.50 1.44 1.11 -1.26 -5.00 116.67 107.68 1x1m s ASP 64 Ca -0.15 0.03 0.29 0.00 0.18 0.00 0.00 52.55 52.90 1x1m s ASP 64 Cb 0.02 0.32 1.21 0.00 1.07 0.00 0.00 42.92 45.53 1x1m s ASP 64 CO 0.64 -0.48 1.94 1.55 1.18 0.00 0.00 175.17 179.99 1x1m h PRO 65 N 3.73 0.00 0.12 8.23 0.13 -1.88 -2.97 132.00 139.36 1x1m h PRO 65 Ca -0.30 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.55 1x1m h PRO 65 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x1m h PRO 65 CO 0.41 0.12 -1.31 0.93 -0.23 0.00 0.00 178.00 177.92 1x1m h GLU 66 N 0.00 0.26 -0.18 0.86 5.08 -1.96 -3.22 114.58 115.42 1x1m h GLU 66 Ca -0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1x1m h GLU 66 Cb 0.58 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1x1m h GLU 66 CO 0.02 1.19 0.00 1.28 -1.00 0.00 0.00 179.01 180.49 1x1m n LEU 67 N -3.51 0.61 -4.09 1.33 4.77 -1.13 -4.82 117.00 110.16 1x1m n LEU 67 Ca -0.10 -0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 55.50 1x1m n LEU 67 Cb 1.03 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.91 1x1m n LEU 67 CO 0.53 0.14 -0.33 0.27 -1.33 0.00 0.00 177.39 176.67 1x1m s ILE 68 N -1.81 0.19 0.42 -0.08 -5.25 -1.19 -1.31 121.20 112.17 1x1m s ILE 68 Ca 0.06 -1.80 0.03 0.00 -0.99 0.00 0.00 60.65 57.95 1x1m s ILE 68 Cb 0.03 -1.63 -0.03 0.00 2.95 0.00 0.00 42.46 43.78 1x1m s ILE 68 CO 0.04 -0.86 0.07 -1.81 -1.79 0.00 0.00 174.94 170.59 1x1m s ASP 69 N -2.95 3.15 -0.05 4.36 1.01 0.72 -4.86 116.67 118.06 1x1m s ASP 69 Ca 0.11 -1.58 0.05 0.00 0.71 0.00 0.00 52.55 51.84 1x1m s ASP 69 Cb 0.08 0.30 -0.02 0.00 1.01 0.00 0.00 42.92 44.28 1x1m s ASP 69 CO -0.07 -0.80 -0.19 -0.22 0.21 0.00 0.00 175.17 174.10 1x1m s LEU 70 N -3.66 2.43 -0.11 1.23 2.96 -1.26 -2.14 118.68 118.13 1x1m s LEU 70 Ca 0.23 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1x1m s LEU 70 Cb 0.04 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1x1m s LEU 70 CO 0.12 0.31 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.65 1x1m s ILE 71 N -0.52 1.64 0.00 6.68 -1.09 0.22 -0.97 121.20 127.16 1x1m s ILE 71 Ca 0.07 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1x1m s ILE 71 Cb -0.11 -1.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.29 1x1m s ILE 71 CO 0.01 0.47 0.02 -0.47 -1.23 0.00 0.00 174.94 173.74 1x1m s TYR 72 N 0.81 0.12 -1.11 3.97 5.04 0.52 -0.11 117.35 126.59 1x1m s TYR 72 Ca -0.10 -0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1x1m s TYR 72 Cb -0.16 -0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.06 1x1m s TYR 72 CO 0.01 -0.15 0.00 0.00 -1.34 0.00 0.00 175.55 174.07 1x1m n GLY 74 N -0.78 0.31 3.24 0.00 0.00 -1.26 -5.02 105.19 101.69 1x1m n GLY 74 Ca -0.15 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.95 0.43 0.31 1.61 1.70 0.13 -5.15 118.95 114.04 1x1m s ARG 75 Ca 0.00 0.44 -0.29 0.00 -0.47 0.00 0.00 55.73 55.41 1x1m s ARG 75 Cb 0.00 0.21 -0.10 0.00 -0.57 0.00 0.00 34.95 34.49 1x1m s ARG 75 CO 0.00 -0.06 1.25 0.21 -1.08 0.00 0.00 175.30 175.62 1x1m s LYS 76 N 0.08 4.44 -0.20 3.89 2.36 -1.26 -0.35 119.74 128.68 1x1m s LYS 76 Ca -0.01 2.10 -0.09 0.00 -2.55 0.00 0.00 55.97 55.42 1x1m s LYS 76 Cb -0.03 -3.11 -0.05 0.00 -1.05 0.00 0.00 37.83 33.60 1x1m s LYS 76 CO 0.01 -0.08 0.11 -0.51 1.55 0.00 0.00 175.35 176.43 1x1m s LEU 77 N -1.64 4.05 0.45 5.43 1.43 -0.14 -4.89 118.68 123.37 1x1m s LEU 77 Ca 0.48 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1x1m s LEU 77 Cb -0.37 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1x1m s LEU 77 CO 0.49 0.15 0.70 -0.54 0.23 0.00 0.00 176.35 177.39 1x1m s LYS 78 N 0.53 3.35 0.00 1.70 -0.14 -1.26 -4.52 119.74 119.40 1x1m s LYS 78 Ca 0.06 -0.13 0.22 0.00 -1.36 0.00 0.00 55.97 54.76 1x1m s LYS 78 Cb -0.12 -2.49 1.22 0.00 -1.68 0.00 0.00 37.83 34.76 1x1m s LYS 78 CO 0.00 -0.17 1.69 -3.47 -0.76 0.00 0.00 175.35 172.64 1x1m n ASP 79 N -2.12 0.00 -0.86 2.83 2.03 -1.26 -2.26 116.55 114.91 1x1m n ASP 79 Ca -0.00 -0.44 0.12 0.00 0.52 0.00 0.00 54.79 54.98 1x1m n ASP 79 Cb 0.56 -0.11 0.27 0.00 -0.72 0.00 0.00 41.12 41.13 1x1m n ASP 79 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1x1m n ASP 80 N -1.11 2.62 -4.67 1.67 9.92 -1.26 -4.53 116.55 119.19 1x1m n ASP 80 Ca 0.14 -1.86 -0.25 0.00 -0.53 0.00 0.00 54.79 52.30 1x1m n ASP 80 Cb 0.11 -0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.39 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1x1m s GLN 81 N -1.74 2.42 0.12 -1.24 -1.52 -0.96 -5.05 119.66 111.70 1x1m s GLN 81 Ca 0.35 -1.22 0.09 0.00 -1.95 0.00 0.00 55.36 52.62 1x1m s GLN 81 Cb 0.20 -2.30 -0.04 0.00 -0.22 0.00 0.00 33.01 30.65 1x1m s GLN 81 CO 0.30 0.41 -0.21 0.95 -0.25 0.00 0.00 175.29 176.49 1x1m s THR 82 N -2.01 1.82 0.26 -0.19 -4.23 -1.26 -2.23 115.64 107.81 1x1m s THR 82 Ca 0.30 -1.67 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1x1m s THR 82 Cb -0.08 -1.69 0.31 0.00 1.34 0.00 0.00 72.50 72.38 1x1m s THR 82 CO 0.20 -0.10 1.25 0.18 -0.54 0.00 0.00 174.62 175.60 1x1m n LEU 83 N 0.86 0.04 -0.04 4.79 7.99 -1.08 0.15 117.00 129.70 1x1m n LEU 83 Ca -0.18 1.34 -0.13 0.00 -0.01 0.00 0.00 56.01 57.03 1x1m n LEU 83 Cb 0.54 -0.55 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 1x1m n LEU 83 CO 0.24 -1.40 0.64 0.44 -1.51 0.00 0.00 177.39 175.79 1x1m h ASP 84 N 0.00 0.26 -0.92 -1.43 5.19 -1.87 0.19 116.42 117.84 1x1m h ASP 84 Ca 0.55 -0.45 0.18 0.00 -0.62 0.00 0.00 57.03 56.70 1x1m h ASP 84 Cb 1.28 -0.07 -0.17 0.00 0.18 0.00 0.00 39.33 40.54 1x1m h ASP 84 CO -0.70 0.65 -0.23 0.15 -3.12 0.00 0.00 179.24 176.00 1x1m h PHE 85 N -0.13 -0.48 0.00 4.55 3.04 0.96 0.33 116.94 125.20 1x1m h PHE 85 Ca 0.02 0.08 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 1x1m h PHE 85 Cb 0.57 0.36 -0.03 0.00 2.56 0.00 0.00 35.95 39.41 1x1m h PHE 85 CO 0.08 -0.39 -1.08 1.88 -2.02 0.00 0.00 178.31 176.77 1x1m h TYR 86 N 0.00 0.00 -0.06 0.41 0.05 -1.46 -3.48 116.97 112.42 1x1m h TYR 86 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 1x1m h TYR 86 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1x1m h TYR 86 CO -0.71 0.64 0.00 0.41 -1.05 0.00 0.00 178.16 177.45 1x1m n GLY 87 N 1.35 0.95 3.71 3.88 0.00 0.12 -5.02 105.19 110.18 1x1m n GLY 87 Ca -0.05 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.06 2.77 0.16 -0.61 1.01 0.06 -4.99 121.20 117.54 1x1m s ILE 88 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1x1m s ILE 88 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1x1m s ILE 88 CO 0.00 0.04 0.25 -1.10 0.00 0.00 0.00 174.94 174.12 1x1m s GLN 89 N 1.29 3.29 -0.72 2.79 -1.52 -1.26 -4.82 119.66 118.71 1x1m s GLN 89 Ca 0.70 -0.69 -0.26 0.00 -1.95 0.00 0.00 55.36 53.16 1x1m s GLN 89 Cb -0.42 -2.87 -0.03 0.00 -0.22 0.00 0.00 33.01 29.47 1x1m s GLN 89 CO 0.31 0.51 1.89 -1.25 -0.25 0.00 0.00 175.29 176.50 1x1m s PRO 90 N -3.25 2.60 0.00 2.91 0.04 -1.26 -2.62 135.00 133.42 1x1m s PRO 90 Ca 0.33 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1x1m s PRO 90 Cb -0.11 -4.63 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1x1m s PRO 90 CO 0.27 -2.96 0.00 0.41 0.04 0.00 0.00 177.00 174.76 1x1m n GLY 91 N 6.11 1.27 3.02 0.56 0.00 -1.06 -4.85 105.19 110.23 1x1m n GLY 91 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1m n SER 92 N 0.00 -3.01 -3.95 1.61 3.41 -1.08 -4.22 113.62 106.39 1x1m n SER 92 Ca 0.00 -0.39 -0.26 0.00 -0.26 0.00 0.00 58.87 57.96 1x1m n SER 92 Cb 0.00 -0.77 -0.17 0.00 -0.26 0.00 0.00 64.21 63.01 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x1m s THR 93 N -2.07 1.07 0.12 6.66 2.01 -1.26 -2.08 115.64 120.09 1x1m s THR 93 Ca 0.36 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1x1m s THR 93 Cb -0.06 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1x1m s THR 93 CO 0.34 0.36 -0.11 0.68 -0.69 0.00 0.00 174.62 175.20 1x1m s VAL 94 N 1.34 3.27 -0.07 3.82 -7.23 -1.11 -4.74 120.40 115.67 1x1m s VAL 94 Ca -0.02 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1x1m s VAL 94 Cb -0.14 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1x1m s VAL 94 CO -0.04 0.08 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.77 1x1m s HIS 95 N -1.27 2.96 -0.19 2.82 3.76 0.85 -0.84 115.29 123.38 1x1m s HIS 95 Ca 0.21 0.04 -0.08 0.00 -0.15 0.00 0.00 55.06 55.08 1x1m s HIS 95 Cb -0.11 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 1x1m s HIS 95 CO 0.13 0.34 0.09 0.08 -0.85 0.00 0.00 174.74 174.54 1x1m s VAL 96 N -0.81 5.04 -0.18 -0.90 1.01 -1.00 0.69 120.40 124.25 1x1m s VAL 96 Ca 0.12 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1x1m s VAL 96 Cb -0.11 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.01 1x1m s VAL 96 CO 0.01 0.46 -0.17 -0.22 0.00 0.00 0.00 175.10 175.19 1x1m s LEU 97 N 0.33 2.18 0.31 3.92 1.98 -0.91 -2.21 118.68 124.28 1x1m s LEU 97 Ca 0.05 -0.72 -0.27 0.00 -2.89 0.00 0.00 54.13 50.31 1x1m s LEU 97 Cb -0.12 -1.39 -0.10 0.00 0.66 0.00 0.00 46.19 45.25 1x1m s LEU 97 CO -0.01 -0.05 0.97 0.00 -1.89 0.00 0.00 176.35 175.37 1x1m s ARG 98 N 1.33 4.59 0.38 1.98 1.70 -1.26 -0.20 118.95 127.47 1x1m s ARG 98 Ca 0.03 1.42 -0.27 0.00 -0.47 0.00 0.00 55.73 56.44 1x1m s ARG 98 Cb -0.14 -2.89 -0.09 0.00 -0.57 0.00 0.00 34.95 31.26 1x1m s ARG 98 CO -0.11 0.26 1.31 0.15 -1.08 0.00 0.00 175.30 175.83 1x1m s LYS 99 N -1.90 4.10 -0.15 3.89 1.02 -0.43 -4.88 119.74 121.40 1x1m s LYS 99 Ca 0.49 2.19 -0.20 0.00 0.02 0.00 0.00 55.97 58.47 1x1m s LYS 99 Cb -0.22 -2.86 -0.17 0.00 -0.52 0.00 0.00 37.83 34.06 1x1m s LYS 99 CO 0.27 -0.39 0.41 1.03 -0.92 0.00 0.00 175.35 175.75 1x1m h SER 100 N 2.91 0.00 -4.18 2.83 0.87 -1.95 -3.47 113.55 110.56 1x1m h SER 100 Ca -0.49 -0.61 -0.48 0.00 -1.23 0.00 0.00 61.79 58.98 1x1m h SER 100 Cb 1.24 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.23 1x1m h SER 100 CO 0.64 0.99 0.38 0.86 -0.53 0.00 0.00 176.83 179.16 1x1m s TRP 101 N -2.12 3.27 1.06 2.24 -0.00 -1.26 -5.02 118.94 117.11 1x1m s TRP 101 Ca -0.17 1.49 -0.20 0.00 -0.00 0.00 0.00 56.10 57.22 1x1m s TRP 101 Cb 0.00 -2.88 -0.01 0.00 -0.00 0.00 0.00 33.47 30.59 1x1m s TRP 101 CO 0.49 -0.62 -0.44 0.43 -0.00 0.00 0.00 176.95 176.81 1x1m n SER 102 N -1.65 -2.79 -4.47 5.86 7.64 -1.26 -4.99 113.62 111.96 1x1m n SER 102 Ca 0.07 -0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 1x1m n SER 102 Cb 0.54 -0.85 -0.13 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.57 1.52 0.36 0.23 0.00 -1.26 -5.02 107.32 101.59 1x1m s GLY 103 Ca 0.49 -0.98 0.15 0.00 0.00 0.00 0.00 44.72 44.39 1x1m s GLY 103 CO 0.68 -0.75 1.77 -0.56 0.00 0.00 0.00 173.10 174.24 1x1m h PRO 104 N 5.41 0.00 -5.45 2.90 0.13 -1.97 -3.44 132.00 129.59 1x1m h PRO 104 Ca -0.45 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 1x1m h PRO 104 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1x1m h PRO 104 CO 0.50 0.41 1.57 0.45 -0.23 0.00 0.00 178.00 180.70 1x1m n SER 105 N -3.81 0.55 -3.97 1.44 2.88 -1.26 -4.85 113.62 104.61 1x1m n SER 105 Ca -0.01 0.38 -0.31 0.00 -1.33 0.00 0.00 58.87 57.60 1x1m n SER 105 Cb 0.47 -0.93 -0.13 0.00 -0.75 0.00 0.00 64.21 62.88 1x1m n SER 105 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x1m s SER 106 N 7.77 4.66 0.00 -3.46 0.01 -1.26 -5.15 113.70 116.26 1x1m s SER 106 Ca 1.28 -3.25 0.00 0.00 1.31 0.00 0.00 55.95 55.29 1x1m s SER 106 Cb -1.33 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 63.21 1x1m s SER 106 CO 0.56 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.61