#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dia n SER 2 N 0.00 -3.78 -3.75 1.61 2.88 -1.26 -3.20 113.62 106.13 2dia n SER 2 Ca 0.00 -0.29 -0.25 0.00 -1.33 0.00 0.00 58.87 57.00 2dia n SER 2 Cb 0.00 -2.87 0.04 0.00 -0.75 0.00 0.00 64.21 60.63 2dia n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dia n SER 3 N -1.14 -3.54 -3.71 -3.46 2.88 -1.26 -4.95 113.62 98.45 2dia n SER 3 Ca -0.03 -0.74 -0.28 0.00 -1.33 0.00 0.00 58.87 56.49 2dia n SER 3 Cb 0.54 -4.25 -0.11 0.00 -0.75 0.00 0.00 64.21 59.65 2dia n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dia n GLY 4 N -1.65 3.77 3.35 0.46 0.00 -1.19 -5.10 105.19 104.81 2dia n GLY 4 Ca -0.11 -2.35 -0.29 0.00 0.00 0.00 0.00 46.02 43.26 2dia n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dia n SER 5 N 1.91 -2.35 0.00 1.61 7.64 -1.26 -4.26 113.62 116.92 2dia n SER 5 Ca 0.23 -0.26 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 2dia n SER 5 Cb 0.39 -1.09 -0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2dia n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dia n SER 6 N -3.73 0.24 -4.74 6.43 2.88 -1.26 -5.04 113.62 108.40 2dia n SER 6 Ca 0.03 0.03 -0.40 0.00 -1.33 0.00 0.00 58.87 57.20 2dia n SER 6 Cb 0.57 -0.08 0.02 0.00 -0.75 0.00 0.00 64.21 63.97 2dia n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dia n GLY 7 N 3.00 0.80 3.77 0.46 0.00 -1.26 -4.97 105.19 106.99 2dia n GLY 7 Ca -0.02 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2dia n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dia s PRO 8 N -2.52 2.46 0.01 1.61 0.04 -1.26 -4.67 135.00 130.66 2dia s PRO 8 Ca 0.64 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 2dia s PRO 8 Cb -0.45 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2dia s PRO 8 CO 0.55 -1.50 0.73 0.12 0.04 0.00 0.00 177.00 176.94 2dia s PHE 9 N -2.69 3.69 -0.26 0.56 2.19 -1.26 -3.91 117.98 116.30 2dia s PHE 9 Ca 0.63 1.39 -0.03 0.00 0.33 0.00 0.00 56.93 59.25 2dia s PHE 9 Cb -0.18 -2.79 0.15 0.00 -1.31 0.00 0.00 43.02 38.88 2dia s PHE 9 CO 0.51 0.23 0.46 -0.51 1.83 0.00 0.00 175.22 177.74 2dia s ASP 10 N 0.16 -0.35 0.34 6.13 1.01 -0.10 -4.96 116.67 118.90 2dia s ASP 10 Ca 0.38 0.55 0.26 0.00 0.71 0.00 0.00 52.55 54.45 2dia s ASP 10 Cb -0.19 1.50 1.10 0.00 1.01 0.00 0.00 42.92 46.34 2dia s ASP 10 CO 0.21 -0.28 1.79 1.55 0.21 0.00 0.00 175.17 178.65 2dia h PRO 11 N 8.12 0.00 0.00 8.23 0.13 -1.84 -2.76 132.00 143.87 2dia h PRO 11 Ca -0.20 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.81 2dia h PRO 11 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2dia h PRO 11 CO 0.25 0.00 -0.56 1.03 -0.23 0.00 0.00 178.00 178.49 2dia h SER 12 N 0.00 0.00 0.22 1.44 0.87 -1.94 -2.77 113.55 111.37 2dia h SER 12 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dia h SER 12 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2dia h SER 12 CO 0.00 0.56 0.00 0.29 -0.53 0.00 0.00 176.83 177.15 2dia n LYS 13 N -3.63 0.41 -2.84 2.24 4.76 -1.04 -4.69 118.16 113.37 2dia n LYS 13 Ca -0.01 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 2dia n LYS 13 Cb 0.61 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.27 2dia n LYS 13 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dia s VAL 14 N -2.34 4.81 -0.29 -0.18 1.01 -1.04 -4.54 120.40 117.82 2dia s VAL 14 Ca 0.23 1.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.80 2dia s VAL 14 Cb 0.13 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2dia s VAL 14 CO 0.27 -0.07 0.15 -0.69 0.00 0.00 0.00 175.10 174.75 2dia s VAL 15 N 2.75 4.74 -0.13 2.92 1.01 -1.17 -4.76 120.40 125.77 2dia s VAL 15 Ca 0.38 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2dia s VAL 15 Cb -0.16 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 2dia s VAL 15 CO 0.08 0.16 -0.18 0.00 0.00 0.00 0.00 175.10 175.17 2dia s ALA 16 N 1.65 2.41 0.25 5.51 0.00 -1.26 -1.31 121.76 129.02 2dia s ALA 16 Ca 0.06 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 2dia s ALA 16 Cb -0.16 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 2dia s ALA 16 CO 0.07 0.17 0.47 -1.54 0.00 0.00 0.00 175.76 174.93 2dia s SER 17 N 0.49 -0.04 0.00 0.00 1.04 -1.02 -4.99 113.70 109.18 2dia s SER 17 Ca -0.12 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2dia s SER 17 Cb -0.16 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2dia s SER 17 CO 0.05 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2dia n GLY 18 N -0.39 3.39 0.17 7.32 0.00 -1.26 -1.70 105.19 112.72 2dia n GLY 18 Ca -0.01 -1.65 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 2dia n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dia h PRO 19 N 0.00 0.08 0.00 1.61 0.13 -1.90 -2.98 132.00 128.94 2dia h PRO 19 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2dia h PRO 19 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dia h PRO 19 CO 0.00 0.54 -0.03 0.78 -0.23 0.00 0.00 178.00 179.06 2dia h GLY 20 N 1.41 0.00 0.52 1.56 0.00 -1.64 0.15 103.07 105.07 2dia h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dia h GLY 20 CO 0.07 0.00 -0.17 1.04 0.00 0.00 0.00 176.54 177.48 2dia n LEU 21 N -3.97 0.77 -0.08 3.11 4.77 -1.12 -3.98 117.00 116.50 2dia n LEU 21 Ca -0.03 -0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 2dia n LEU 21 Cb 0.12 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2dia n LEU 21 CO 0.30 0.14 -1.00 -0.62 -1.33 0.00 0.00 177.39 174.88 2dia n GLU 22 N -0.75 0.69 -3.57 3.23 1.02 0.08 -4.84 120.64 116.50 2dia n GLU 22 Ca 0.14 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 2dia n GLU 22 Cb 0.31 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 2dia n GLU 22 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2dia s HIS 23 N -2.32 -0.34 0.21 -0.32 -3.43 0.30 -4.54 115.29 104.86 2dia s HIS 23 Ca -0.19 0.11 -0.09 0.00 -0.80 0.00 0.00 55.06 54.09 2dia s HIS 23 Cb 0.05 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.77 2dia s HIS 23 CO 0.39 -0.77 0.35 0.20 -2.00 0.00 0.00 174.74 172.91 2dia s GLY 24 N -2.70 0.73 -0.03 -1.38 0.00 -1.21 -3.98 107.32 98.74 2dia s GLY 24 Ca 0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 2dia s GLY 24 CO -0.06 -0.86 0.08 1.25 0.00 0.00 0.00 173.10 173.51 2dia s LYS 25 N -4.04 0.07 -0.25 2.90 2.20 -1.26 -1.00 119.74 118.37 2dia s LYS 25 Ca 0.25 0.16 -0.36 0.00 -0.36 0.00 0.00 55.97 55.66 2dia s LYS 25 Cb 0.02 -0.03 -0.12 0.00 -1.51 0.00 0.00 37.83 36.19 2dia s LYS 25 CO 0.07 -0.06 2.00 0.28 -0.36 0.00 0.00 175.35 177.29 2dia n VAL 26 N 3.39 0.34 0.00 4.02 0.31 -0.93 -0.14 118.33 125.32 2dia n VAL 26 Ca -0.17 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2dia n VAL 26 Cb 0.57 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2dia n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dia n GLY 27 N 5.34 3.01 3.55 2.92 0.00 0.73 -4.49 105.19 116.25 2dia n GLY 27 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 2dia n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dia s GLU 28 N -0.03 -1.65 -0.18 1.61 0.41 0.80 -4.84 118.70 114.83 2dia s GLU 28 Ca 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 2dia s GLU 28 Cb 0.00 -1.55 0.04 0.00 -1.78 0.00 0.00 34.13 30.83 2dia s GLU 28 CO 0.00 -3.98 -0.10 0.00 -0.49 0.00 0.00 175.26 170.69 2dia s ALA 29 N -2.95 1.82 -0.54 5.21 0.00 -1.26 -3.96 121.76 120.08 2dia s ALA 29 Ca 0.72 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.38 2dia s ALA 29 Cb -0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2dia s ALA 29 CO 0.56 -0.70 1.75 0.20 0.00 0.00 0.00 175.76 177.57 2dia s GLY 30 N 1.48 0.47 -0.01 0.00 0.00 0.48 -4.80 107.32 104.94 2dia s GLY 30 Ca 0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.96 2dia s GLY 30 CO -0.09 3.26 1.68 1.08 0.00 0.00 0.00 173.10 179.03 2dia s LEU 31 N 7.98 4.35 -0.03 0.66 1.43 -1.26 -3.29 118.68 128.51 2dia s LEU 31 Ca 0.67 2.35 0.02 0.00 -1.03 0.00 0.00 54.13 56.14 2dia s LEU 31 Cb -0.14 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2dia s LEU 31 CO 0.24 -0.92 -0.07 -0.76 0.23 0.00 0.00 176.35 175.07 2dia s LEU 32 N 3.65 1.61 -0.07 1.79 1.43 0.69 -2.75 118.68 125.03 2dia s LEU 32 Ca 0.75 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2dia s LEU 32 Cb -0.36 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2dia s LEU 32 CO 0.32 0.01 -0.17 -0.55 0.23 0.00 0.00 176.35 176.19 2dia s SER 33 N 0.49 2.22 -0.22 2.29 0.15 -0.69 -0.68 113.70 117.26 2dia s SER 33 Ca -0.07 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2dia s SER 33 Cb -0.11 -0.89 0.03 0.00 -1.71 0.00 0.00 66.02 63.34 2dia s SER 33 CO 0.01 0.10 -0.12 -0.69 1.20 0.00 0.00 173.24 173.74 2dia s VAL 34 N 0.38 2.48 -0.46 4.45 1.01 -0.73 -2.45 120.40 125.08 2dia s VAL 34 Ca -0.12 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 2dia s VAL 34 Cb -0.15 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.05 2dia s VAL 34 CO 0.04 0.30 0.58 -0.62 0.00 0.00 0.00 175.10 175.40 2dia s ASP 35 N 1.28 6.25 -0.30 3.32 2.15 -0.43 -1.44 116.67 127.50 2dia s ASP 35 Ca 0.01 -0.67 -0.11 0.00 0.43 0.00 0.00 52.55 52.21 2dia s ASP 35 Cb -0.16 -2.28 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 2dia s ASP 35 CO -0.08 -0.77 0.18 0.00 -0.17 0.00 0.00 175.17 174.34 2dia n SER 37 N 5.04 0.00 -1.00 0.00 7.64 -1.26 -4.75 113.62 119.29 2dia n SER 37 Ca -0.14 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.84 2dia n SER 37 Cb 0.51 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.92 2dia n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dia n GLU 38 N -2.31 2.52 0.33 1.43 1.02 -1.26 -4.49 120.64 117.88 2dia n GLU 38 Ca 0.00 -2.24 0.16 0.00 -0.02 0.00 0.00 57.16 55.06 2dia n GLU 38 Cb 0.00 -1.43 0.83 0.00 -0.02 0.00 0.00 31.44 30.82 2dia n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dia h ALA 39 N 3.46 1.35 -0.26 0.62 0.00 -1.81 -3.38 119.26 119.23 2dia h ALA 39 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dia h ALA 39 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2dia h ALA 39 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2dia n GLY 40 N -1.22 -0.69 1.28 0.00 0.00 -1.25 -0.93 105.19 102.38 2dia n GLY 40 Ca -0.02 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 2dia n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dia n PRO 41 N 0.00 -1.81 0.00 1.61 -0.04 -1.26 -4.93 135.00 128.57 2dia n PRO 41 Ca 0.00 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 2dia n PRO 41 Cb 0.00 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 2dia n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dia n GLY 42 N -0.20 2.59 3.71 0.55 0.00 -1.26 -4.77 105.19 105.81 2dia n GLY 42 Ca 0.06 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 2dia n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dia s ALA 43 N -2.94 3.36 0.20 4.61 0.00 -1.26 -4.74 121.76 120.99 2dia s ALA 43 Ca 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2dia s ALA 43 Cb 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 2dia s ALA 43 CO 0.00 0.64 0.50 -1.17 0.00 0.00 0.00 175.76 175.73 2dia s LEU 44 N -1.44 4.21 -0.24 0.00 2.96 -1.26 -1.23 118.68 121.68 2dia s LEU 44 Ca 0.19 0.84 -0.27 0.00 -0.22 0.00 0.00 54.13 54.67 2dia s LEU 44 Cb -0.12 -3.53 0.13 0.00 0.50 0.00 0.00 46.19 43.17 2dia s LEU 44 CO 0.09 -0.02 1.04 -0.83 -1.32 0.00 0.00 176.35 175.31 2dia s GLY 45 N -2.31 -0.16 0.18 7.98 0.00 -0.99 -5.01 107.32 107.00 2dia s GLY 45 Ca 0.45 2.50 0.07 0.00 0.00 0.00 0.00 44.72 47.74 2dia s GLY 45 CO 0.22 1.55 -0.15 -2.27 0.00 0.00 0.00 173.10 172.45 2dia s LEU 46 N -0.26 2.50 -0.17 0.66 2.96 -1.26 -0.97 118.68 122.14 2dia s LEU 46 Ca 0.02 -0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 52.95 2dia s LEU 46 Cb -0.03 -0.68 0.06 0.00 0.50 0.00 0.00 46.19 46.03 2dia s LEU 46 CO -0.04 -0.13 0.06 -0.70 -1.32 0.00 0.00 176.35 174.22 2dia s GLU 47 N -3.25 0.32 -0.28 1.98 2.56 0.13 -4.98 118.70 115.17 2dia s GLU 47 Ca 0.18 -0.18 -0.14 0.00 0.00 0.00 0.00 54.97 54.84 2dia s GLU 47 Cb -0.03 -1.82 -0.04 0.00 2.00 0.00 0.00 34.13 34.25 2dia s GLU 47 CO 0.06 -0.62 0.31 0.00 -0.56 0.00 0.00 175.26 174.45 2dia s ALA 48 N 2.02 3.54 -0.07 6.30 0.00 -1.26 -1.69 121.76 130.60 2dia s ALA 48 Ca 0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 2dia s ALA 48 Cb -0.16 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.33 2dia s ALA 48 CO -0.08 -0.69 0.21 0.08 0.00 0.00 0.00 175.76 175.28 2dia s VAL 49 N 1.95 0.01 0.36 0.00 1.01 -1.20 -0.36 120.40 122.17 2dia s VAL 49 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2dia s VAL 49 Cb -0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2dia s VAL 49 CO 0.11 -0.03 0.52 -0.94 0.00 0.00 0.00 175.10 174.76 2dia s SER 50 N 0.00 5.95 0.60 3.32 1.04 -1.24 -0.00 113.70 123.37 2dia s SER 50 Ca -0.01 -0.06 0.29 0.00 0.48 0.00 0.00 55.95 56.65 2dia s SER 50 Cb -0.02 -1.33 1.63 0.00 0.10 0.00 0.00 66.02 66.41 2dia s SER 50 CO 0.00 -0.49 2.04 -0.78 0.98 0.00 0.00 173.24 175.00 2dia h ASP 51 N 0.78 0.00 1.65 7.02 3.58 -1.91 0.41 116.42 127.95 2dia h ASP 51 Ca -0.46 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2dia h ASP 51 Cb 1.25 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 2dia h ASP 51 CO 0.54 0.00 -0.06 0.28 -2.88 0.00 0.00 179.24 177.12 2dia h SER 52 N 0.00 0.00 -0.63 2.28 0.02 -1.93 -3.47 113.55 109.82 2dia h SER 52 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2dia h SER 52 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2dia h SER 52 CO -0.00 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 2dia n GLY 53 N 0.79 0.72 3.00 -3.77 0.00 0.15 -5.08 105.19 101.00 2dia n GLY 53 Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2dia n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dia s THR 54 N -2.11 2.12 0.02 2.61 2.01 -1.26 -4.91 115.64 114.12 2dia s THR 54 Ca 0.00 -2.13 -0.33 0.00 0.31 0.00 0.00 61.69 59.54 2dia s THR 54 Cb 0.00 -2.51 -0.12 0.00 0.01 0.00 0.00 72.50 69.88 2dia s THR 54 CO 0.00 -0.50 1.81 0.29 -0.69 0.00 0.00 174.62 175.53 2dia n LYS 55 N 4.34 2.37 -2.35 4.92 5.02 -1.26 -3.61 118.16 127.59 2dia n LYS 55 Ca 0.00 0.87 -0.27 0.00 -2.02 0.00 0.00 58.31 56.89 2dia n LYS 55 Cb 0.42 -2.72 0.03 0.00 -0.02 0.00 0.00 35.03 32.75 2dia n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dia s ALA 56 N 3.12 3.27 -0.35 7.82 0.00 0.51 -4.98 121.76 131.15 2dia s ALA 56 Ca 0.87 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 2dia s ALA 56 Cb -0.62 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2dia s ALA 56 CO 0.45 -0.83 1.23 -2.00 0.00 0.00 0.00 175.76 174.61 2dia s GLU 57 N -5.02 3.88 0.12 0.00 2.12 -1.25 -4.66 118.70 113.89 2dia s GLU 57 Ca 0.54 1.05 0.10 0.00 0.36 0.00 0.00 54.97 57.02 2dia s GLU 57 Cb -0.11 -3.87 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 2dia s GLU 57 CO 0.46 -1.17 -0.24 0.08 -0.54 0.00 0.00 175.26 173.85 2dia s VAL 58 N 4.34 2.47 -0.09 3.70 1.01 -1.26 -1.82 120.40 128.76 2dia s VAL 58 Ca 0.53 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 2dia s VAL 58 Cb -0.13 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2dia s VAL 58 CO 0.24 0.10 0.32 -0.55 0.00 0.00 0.00 175.10 175.21 2dia s SER 59 N -2.06 -0.29 -0.02 3.32 0.15 -0.93 -5.01 113.70 108.86 2dia s SER 59 Ca 0.15 0.46 0.07 0.00 0.70 0.00 0.00 55.95 57.33 2dia s SER 59 Cb -0.10 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2dia s SER 59 CO 0.07 -0.23 -0.23 -0.63 1.20 0.00 0.00 173.24 173.42 2dia s ILE 60 N -0.34 1.84 -0.11 6.45 1.01 -1.26 -2.23 121.20 126.56 2dia s ILE 60 Ca -0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 2dia s ILE 60 Cb -0.03 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.93 2dia s ILE 60 CO 0.02 0.52 -0.06 -1.58 0.00 0.00 0.00 174.94 173.83 2dia s GLN 61 N -0.50 1.39 0.38 2.79 2.00 -0.89 -4.94 119.66 119.89 2dia s GLN 61 Ca 0.08 -0.21 -0.19 0.00 -2.00 0.00 0.00 55.36 53.04 2dia s GLN 61 Cb -0.09 -1.51 -0.10 0.00 0.80 0.00 0.00 33.01 32.11 2dia s GLN 61 CO -0.00 -0.27 0.86 -0.80 -0.50 0.00 0.00 175.29 174.57 2dia s ASN 62 N 1.75 6.90 0.30 6.67 -0.87 -1.26 -0.47 114.94 127.96 2dia s ASN 62 Ca 0.05 1.53 0.03 0.00 -1.57 0.00 0.00 52.86 52.91 2dia s ASN 62 Cb -0.13 -2.48 -0.06 0.00 -0.02 0.00 0.00 41.25 38.57 2dia s ASN 62 CO -0.08 -0.27 0.06 0.20 -2.57 0.00 0.00 177.10 174.45 2dia s ASN 63 N -2.16 2.02 0.00 -1.22 0.01 -0.95 -4.95 114.94 107.69 2dia s ASN 63 Ca 0.58 -1.37 0.30 0.00 -0.71 0.00 0.00 52.86 51.65 2dia s ASN 63 Cb -0.10 -0.01 1.42 0.00 0.41 0.00 0.00 41.25 42.97 2dia s ASN 63 CO 0.16 -0.63 1.98 1.17 -1.51 0.00 0.00 177.10 178.26 2dia n LYS 64 N -0.61 0.57 -0.08 -0.60 4.81 -1.26 -3.07 118.16 117.91 2dia n LYS 64 Ca -0.02 -0.10 0.12 0.00 -0.87 0.00 0.00 58.31 57.44 2dia n LYS 64 Cb 0.66 -1.50 0.33 0.00 0.02 0.00 0.00 35.03 34.54 2dia n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dia n ASP 65 N -1.13 2.23 0.00 3.14 8.00 -1.26 -4.91 116.55 122.62 2dia n ASP 65 Ca 0.15 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.87 2dia n ASP 65 Cb 0.25 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2dia n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dia n GLY 66 N 1.26 0.62 3.95 0.44 0.00 -1.18 -4.88 105.19 105.41 2dia n GLY 66 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 2dia n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dia s THR 67 N -2.47 4.14 -0.04 2.61 -4.23 -1.26 -2.77 115.64 111.62 2dia s THR 67 Ca 0.00 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 2dia s THR 67 Cb 0.00 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.42 2dia s THR 67 CO 0.00 -0.19 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.43 2dia s TYR 68 N -2.17 1.52 -0.70 3.99 1.51 -0.52 -2.24 117.35 118.74 2dia s TYR 68 Ca 0.42 -0.45 -0.16 0.00 -1.01 0.00 0.00 57.07 55.87 2dia s TYR 68 Cb -0.09 -1.05 0.17 0.00 -0.11 0.00 0.00 41.96 40.89 2dia s TYR 68 CO 0.30 -0.18 0.68 0.00 -1.11 0.00 0.00 175.55 175.24 2dia s ALA 69 N 0.19 3.81 -0.08 3.71 0.00 0.38 -1.78 121.76 127.99 2dia s ALA 69 Ca -0.06 -2.88 -0.10 0.00 0.00 0.00 0.00 51.96 48.92 2dia s ALA 69 Cb -0.12 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2dia s ALA 69 CO 0.02 -2.22 0.23 0.08 0.00 0.00 0.00 175.76 173.87 2dia s VAL 70 N 1.11 5.34 -0.00 0.00 1.01 0.15 -2.10 120.40 125.91 2dia s VAL 70 Ca 0.12 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 2dia s VAL 70 Cb -0.19 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2dia s VAL 70 CO -0.03 0.59 0.13 -0.89 0.00 0.00 0.00 175.10 174.90 2dia s THR 71 N -0.95 0.07 -0.01 3.92 2.01 -0.95 -0.22 115.64 119.51 2dia s THR 71 Ca 0.18 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2dia s THR 71 Cb -0.14 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 71.99 2dia s THR 71 CO 0.07 -0.34 -0.02 -0.72 -0.69 0.00 0.00 174.62 172.92 2dia s TYR 72 N -1.20 0.24 -0.37 4.92 -0.85 -1.21 -2.19 117.35 116.70 2dia s TYR 72 Ca -0.13 -0.02 -0.01 0.00 -0.52 0.00 0.00 57.07 56.39 2dia s TYR 72 Cb -0.07 -0.22 0.10 0.00 0.38 0.00 0.00 41.96 42.14 2dia s TYR 72 CO 0.01 -0.04 0.13 0.08 -1.52 0.00 0.00 175.55 174.21 2dia s VAL 73 N 0.28 3.00 -0.07 -3.49 1.01 -0.75 -0.39 120.40 120.00 2dia s VAL 73 Ca -0.03 -1.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.67 2dia s VAL 73 Cb -0.05 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 2dia s VAL 73 CO -0.01 -0.56 1.50 -2.16 0.00 0.00 0.00 175.10 173.88 2dia s PRO 74 N 1.11 4.22 0.16 2.72 0.04 -1.25 -3.75 135.00 138.25 2dia s PRO 74 Ca 0.06 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.12 2dia s PRO 74 Cb -0.21 -3.83 -0.00 0.00 0.04 0.00 0.00 34.50 30.50 2dia s PRO 74 CO -0.04 -0.75 1.38 -0.07 0.04 0.00 0.00 177.00 177.55 2dia h LEU 75 N 9.63 0.33 -8.57 -3.56 3.38 -1.94 0.21 115.31 114.78 2dia h LEU 75 Ca -0.36 -0.26 -0.52 0.00 0.09 0.00 0.00 57.88 56.84 2dia h LEU 75 Cb 1.16 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.58 2dia h LEU 75 CO 0.95 1.05 -0.81 0.28 0.09 0.00 0.00 178.44 179.99 2dia s THR 76 N -3.28 1.52 0.38 0.22 -1.32 -1.26 -4.70 115.64 107.19 2dia s THR 76 Ca -0.04 -1.41 -0.24 0.00 -1.21 0.00 0.00 61.69 58.80 2dia s THR 76 Cb 0.10 -1.39 -0.10 0.00 -1.51 0.00 0.00 72.50 69.60 2dia s THR 76 CO 0.83 -0.06 0.95 0.00 -2.21 0.00 0.00 174.62 174.13 2dia s ALA 77 N -1.12 3.12 0.00 11.08 0.00 -1.26 -4.80 121.76 128.78 2dia s ALA 77 Ca 0.04 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2dia s ALA 77 Cb -0.10 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2dia s ALA 77 CO 0.03 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2dia n GLY 78 N -0.03 0.22 3.59 0.00 0.00 -1.03 -5.00 105.19 102.94 2dia n GLY 78 Ca 0.05 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2dia n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dia s MET 79 N -2.00 3.80 0.35 1.61 -1.94 -1.26 -1.09 119.30 118.78 2dia s MET 79 Ca 0.00 0.37 0.05 0.00 -1.71 0.00 0.00 55.69 54.39 2dia s MET 79 Cb 0.00 -3.79 -0.01 0.00 2.01 0.00 0.00 34.83 33.04 2dia s MET 79 CO 0.00 -0.79 0.50 0.71 -0.01 0.00 0.00 175.02 175.43 2dia s TYR 80 N 3.03 3.17 -0.35 -0.03 2.02 -0.94 -3.14 117.35 121.12 2dia s TYR 80 Ca 0.31 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 2dia s TYR 80 Cb -0.13 -2.02 0.11 0.00 -0.40 0.00 0.00 41.96 39.51 2dia s TYR 80 CO 0.16 -0.04 0.11 0.99 -1.57 0.00 0.00 175.55 175.19 2dia s THR 81 N -2.24 1.48 -0.22 -0.71 2.01 0.99 -2.30 115.64 114.65 2dia s THR 81 Ca 0.45 -1.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.19 2dia s THR 81 Cb -0.10 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2dia s THR 81 CO 0.32 -0.69 1.07 -0.76 -0.69 0.00 0.00 174.62 173.87 2dia s LEU 82 N 1.10 4.10 -0.27 4.42 1.43 -0.97 -3.20 118.68 125.29 2dia s LEU 82 Ca 0.12 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 2dia s LEU 82 Cb -0.19 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.55 2dia s LEU 82 CO -0.15 -0.69 -0.07 -0.89 0.23 0.00 0.00 176.35 174.78 2dia s THR 83 N 3.26 2.08 0.00 5.49 2.01 -0.68 -0.70 115.64 127.10 2dia s THR 83 Ca 0.46 -1.70 0.01 0.00 0.31 0.00 0.00 61.69 60.77 2dia s THR 83 Cb -0.16 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2dia s THR 83 CO 0.08 -0.15 0.01 -0.32 -0.69 0.00 0.00 174.62 173.55 2dia s MET 84 N 1.11 2.82 -0.06 4.92 0.00 -1.26 0.20 119.30 127.03 2dia s MET 84 Ca -0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 55.69 55.02 2dia s MET 84 Cb -0.20 -2.69 0.04 0.00 0.00 0.00 0.00 34.83 31.98 2dia s MET 84 CO -0.06 0.62 0.11 0.15 0.00 0.00 0.00 175.02 175.84 2dia s LYS 85 N -1.62 0.02 -0.29 4.11 1.02 -0.15 -3.57 119.74 119.26 2dia s LYS 85 Ca 0.20 0.39 -0.02 0.00 0.02 0.00 0.00 55.97 56.56 2dia s LYS 85 Cb -0.12 -0.28 0.04 0.00 -0.52 0.00 0.00 37.83 36.96 2dia s LYS 85 CO 0.11 -0.24 -0.01 -0.47 -0.92 0.00 0.00 175.35 173.82 2dia s TYR 86 N 1.66 3.22 -0.89 3.18 6.14 0.33 -2.34 117.35 128.66 2dia s TYR 86 Ca -0.03 -1.79 0.00 0.00 0.64 0.00 0.00 57.07 55.89 2dia s TYR 86 Cb -0.12 -2.10 0.00 0.00 0.42 0.00 0.00 41.96 40.16 2dia s TYR 86 CO -0.05 -0.78 0.00 0.41 0.64 0.00 0.00 175.55 175.77 2dia n GLY 87 N 4.64 0.47 1.81 8.97 0.00 -0.36 -2.46 105.19 118.26 2dia n GLY 87 Ca -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2dia n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dia n GLY 88 N -1.37 0.75 3.20 -0.02 0.00 -1.26 -4.89 105.19 101.60 2dia n GLY 88 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2dia n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dia s GLU 89 N -0.28 2.32 0.57 1.61 2.02 -1.03 -5.10 118.70 118.83 2dia s GLU 89 Ca 0.00 -0.78 -0.20 0.00 0.02 0.00 0.00 54.97 54.01 2dia s GLU 89 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 2dia s GLU 89 CO 0.00 0.29 1.26 -0.51 0.02 0.00 0.00 175.26 176.32 2dia s LEU 90 N 0.02 3.74 0.37 1.80 1.43 -1.26 -0.51 118.68 124.26 2dia s LEU 90 Ca -0.06 2.53 0.01 0.00 -1.03 0.00 0.00 54.13 55.57 2dia s LEU 90 Cb -0.14 -4.47 -0.03 0.00 0.03 0.00 0.00 46.19 41.59 2dia s LEU 90 CO 0.04 -1.59 0.57 0.68 0.23 0.00 0.00 176.35 176.28 2dia s VAL 91 N -1.46 4.84 -2.00 -1.59 -7.23 -1.23 -4.81 120.40 106.91 2dia s VAL 91 Ca 0.75 -0.48 0.09 0.00 -1.81 0.00 0.00 61.98 60.54 2dia s VAL 91 Cb -0.34 -3.77 0.26 0.00 0.56 0.00 0.00 36.38 33.09 2dia s VAL 91 CO 0.39 -0.51 1.00 -0.81 -0.31 0.00 0.00 175.10 174.86 2dia n PRO 92 N -1.85 0.49 -0.06 4.82 -0.04 -1.26 -1.90 135.00 135.20 2dia n PRO 92 Ca -0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2dia n PRO 92 Cb 0.57 -1.30 0.09 0.00 -0.04 0.00 0.00 33.50 32.82 2dia n PRO 92 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dia n HIS 93 N -0.80 0.00 -3.60 0.54 8.25 -1.26 -5.03 115.22 113.32 2dia n HIS 93 Ca 0.07 -0.82 -0.15 0.00 -0.26 0.00 0.00 57.72 56.56 2dia n HIS 93 Cb 0.03 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 2dia n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2dia s PHE 94 N -2.23 -0.44 0.66 4.41 0.40 -0.80 -4.22 117.98 115.77 2dia s PHE 94 Ca 0.21 0.62 -0.15 0.00 -0.60 0.00 0.00 56.93 57.01 2dia s PHE 94 Cb 0.19 0.30 0.00 0.00 0.51 0.00 0.00 43.02 44.02 2dia s PHE 94 CO 0.02 -0.58 1.11 -1.25 0.70 0.00 0.00 175.22 175.22 2dia s PRO 95 N -1.83 2.79 -0.22 0.24 0.04 -1.26 -4.38 135.00 130.39 2dia s PRO 95 Ca -0.09 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 2dia s PRO 95 Cb -0.01 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.68 2dia s PRO 95 CO 0.03 -1.25 0.24 0.00 0.04 0.00 0.00 177.00 176.06 2dia s ALA 96 N -2.35 -0.35 0.75 8.56 0.00 0.12 -4.97 121.76 123.52 2dia s ALA 96 Ca 0.67 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 2dia s ALA 96 Cb -0.20 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.55 2dia s ALA 96 CO 0.42 -1.28 1.08 -0.98 0.00 0.00 0.00 175.76 175.00 2dia s ARG 97 N 2.35 2.46 -0.14 0.00 3.03 -1.26 -2.30 118.95 123.09 2dia s ARG 97 Ca 0.08 0.92 -0.07 0.00 2.03 0.00 0.00 55.73 58.69 2dia s ARG 97 Cb -0.16 -1.94 0.06 0.00 -1.03 0.00 0.00 34.95 31.88 2dia s ARG 97 CO -0.15 -1.43 0.33 0.08 -1.13 0.00 0.00 175.30 173.00 2dia s VAL 98 N -3.03 -0.08 -0.37 4.99 1.01 -0.97 -4.91 120.40 117.04 2dia s VAL 98 Ca 0.60 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 2dia s VAL 98 Cb -0.15 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.73 2dia s VAL 98 CO 0.55 0.05 1.27 -0.75 0.00 0.00 0.00 175.10 176.23 2dia s LYS 99 N 1.46 3.80 -0.10 2.72 2.20 -1.26 -2.21 119.74 126.34 2dia s LYS 99 Ca -0.08 1.01 -0.07 0.00 -0.36 0.00 0.00 55.97 56.46 2dia s LYS 99 Cb -0.10 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 2dia s LYS 99 CO -0.11 -1.27 0.16 0.08 -0.36 0.00 0.00 175.35 173.85 2dia s VAL 100 N 4.60 5.48 0.20 4.02 1.01 -0.25 -3.30 120.40 132.17 2dia s VAL 100 Ca 0.55 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.78 2dia s VAL 100 Cb -0.13 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2dia s VAL 100 CO 0.27 0.59 0.25 -1.61 0.00 0.00 0.00 175.10 174.60 2dia s GLU 101 N -1.11 3.21 0.62 2.72 0.41 -0.17 -2.46 118.70 121.92 2dia s GLU 101 Ca 0.16 -0.80 -0.16 0.00 -0.41 0.00 0.00 54.97 53.76 2dia s GLU 101 Cb -0.12 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.42 2dia s GLU 101 CO 0.06 0.46 1.12 -1.25 -0.49 0.00 0.00 175.26 175.15 2dia s PRO 102 N -3.55 2.97 -0.34 0.39 0.04 -1.26 -2.19 135.00 131.07 2dia s PRO 102 Ca 0.33 1.46 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 2dia s PRO 102 Cb -0.10 -1.97 0.28 0.00 0.04 0.00 0.00 34.50 32.75 2dia s PRO 102 CO 0.27 -1.12 1.89 0.00 0.04 0.00 0.00 177.00 178.07 2dia n ALA 103 N -2.07 5.01 -2.12 8.56 0.00 -1.26 -4.51 120.51 124.12 2dia n ALA 103 Ca 0.11 -1.83 -0.35 0.00 0.00 0.00 0.00 53.44 51.37 2dia n ALA 103 Cb 0.52 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.61 2dia n ALA 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dia n VAL 104 N 0.02 3.13 -2.17 0.00 0.31 -1.26 -4.69 118.33 113.68 2dia n VAL 104 Ca 0.34 -4.52 -0.26 0.00 -0.01 0.00 0.00 64.34 59.89 2dia n VAL 104 Cb 0.73 -1.25 0.02 0.00 -0.91 0.00 0.00 33.84 32.43 2dia n VAL 104 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2dia n ASP 105 N -0.52 5.02 -3.79 4.52 9.92 -1.26 -4.98 116.55 125.45 2dia n ASP 105 Ca 0.48 -3.74 -0.25 0.00 -0.53 0.00 0.00 54.79 50.75 2dia n ASP 105 Cb 0.40 -0.43 -0.17 0.00 -0.64 0.00 0.00 41.12 40.28 2dia n ASP 105 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2dia s THR 106 N -4.99 0.55 -0.24 -3.53 2.01 -1.26 -5.02 115.64 103.16 2dia s THR 106 Ca 0.50 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.24 2dia s THR 106 Cb 0.41 -0.76 -0.10 0.00 0.01 0.00 0.00 72.50 72.06 2dia s THR 106 CO -0.06 0.17 -0.33 -0.24 -0.69 0.00 0.00 174.62 173.47 2dia n SER 107 N 5.08 1.82 -4.33 3.53 2.88 -1.26 -4.93 113.62 116.41 2dia n SER 107 Ca -0.09 0.31 -0.55 0.00 -1.33 0.00 0.00 58.87 57.22 2dia n SER 107 Cb 0.49 -0.75 -0.11 0.00 -0.75 0.00 0.00 64.21 63.09 2dia n SER 107 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dia n SER 108 N -4.19 0.94 -4.31 -3.46 3.41 -1.26 -4.77 113.62 99.98 2dia n SER 108 Ca -0.45 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.27 2dia n SER 108 Cb 0.80 -0.98 -0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2dia n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dia n GLY 109 N 7.15 -2.65 3.77 5.00 0.00 -1.26 -4.86 105.19 112.34 2dia n GLY 109 Ca 0.54 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 2dia n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dia s PRO 110 N -1.02 4.47 0.25 1.61 0.04 -1.26 -5.05 135.00 134.03 2dia s PRO 110 Ca 0.60 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.80 2dia s PRO 110 Cb -0.65 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2dia s PRO 110 CO 0.62 -0.03 -0.07 -1.12 0.04 0.00 0.00 177.00 176.43 2dia s SER 111 N -0.63 4.23 -0.25 6.66 0.01 -1.26 -5.07 113.70 117.38 2dia s SER 111 Ca 0.47 -0.73 -0.29 0.00 1.31 0.00 0.00 55.95 56.71 2dia s SER 111 Cb -0.37 -0.68 -0.02 0.00 0.21 0.00 0.00 66.02 65.16 2dia s SER 111 CO 0.48 0.03 1.68 -0.94 0.41 0.00 0.00 173.24 174.90 2dia s SER 112 N -3.47 6.22 0.00 2.44 1.04 -1.26 -5.32 113.70 113.35 2dia s SER 112 Ca 0.30 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2dia s SER 112 Cb -0.06 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2dia s SER 112 CO 0.18 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.60