#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 0.26 -3.31 1.61 7.64 -1.26 -5.06 113.62 113.49 2dia n SER 2 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2dia n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2dia n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dia s SER 3 N -4.91 -1.18 0.00 6.43 0.01 -1.26 -5.04 113.70 107.74 2dia s SER 3 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2dia s SER 3 Cb 0.00 2.11 0.00 0.00 0.21 0.00 0.00 66.02 68.34 2dia s SER 3 CO 0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2dia n GLY 4 N 5.43 -1.10 3.80 3.44 0.00 -1.26 -5.00 105.19 110.50 2dia n GLY 4 Ca -0.04 0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2dia n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dia s SER 5 N 0.00 6.37 -1.51 1.61 1.04 -1.26 -4.42 113.70 115.53 2dia s SER 5 Ca 0.00 0.43 -0.19 0.00 0.48 0.00 0.00 55.95 56.67 2dia s SER 5 Cb 0.00 -2.11 0.19 0.00 0.10 0.00 0.00 66.02 64.20 2dia s SER 5 CO 0.00 0.27 0.48 -1.54 0.98 0.00 0.00 173.24 173.43 2dia n SER 6 N 2.76 -1.50 -3.65 7.02 3.41 -1.26 -4.85 113.62 115.55 2dia n SER 6 Ca -0.17 -0.98 -0.29 0.00 -0.26 0.00 0.00 58.87 57.16 2dia n SER 6 Cb 0.53 -1.31 -0.13 0.00 -0.26 0.00 0.00 64.21 63.04 2dia n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dia s GLY 7 N -2.83 1.35 0.54 5.00 0.00 -1.26 -5.12 107.32 105.00 2dia s GLY 7 Ca 0.67 -2.23 -0.20 0.00 0.00 0.00 0.00 44.72 42.97 2dia s GLY 7 CO 0.82 1.70 1.13 2.56 0.00 0.00 0.00 173.10 179.31 2dia s PRO 8 N 0.78 3.37 0.35 2.90 0.04 -1.26 -4.63 135.00 136.55 2dia s PRO 8 Ca 0.16 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 2dia s PRO 8 Cb -0.23 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.18 2dia s PRO 8 CO -0.04 -0.84 1.41 0.34 0.04 0.00 0.00 177.00 177.91 2dia n PHE 9 N -1.28 2.67 -3.46 0.56 -0.00 -1.26 -4.37 117.46 110.33 2dia n PHE 9 Ca 0.12 0.48 0.01 0.00 -0.00 0.00 0.00 57.45 58.05 2dia n PHE 9 Cb 0.51 -2.49 -0.03 0.00 -0.00 0.00 0.00 39.48 37.47 2dia n PHE 9 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2dia s ASP 10 N -0.16 -1.23 0.41 -2.13 1.01 -0.60 -4.92 116.67 109.05 2dia s ASP 10 Ca 0.55 1.30 0.20 0.00 0.71 0.00 0.00 52.55 55.31 2dia s ASP 10 Cb -0.52 2.24 0.88 0.00 1.01 0.00 0.00 42.92 46.53 2dia s ASP 10 CO 0.62 -0.24 1.83 1.55 0.21 0.00 0.00 175.17 179.15 2dia h PRO 11 N 8.00 0.00 -0.04 8.23 0.13 -1.83 -2.91 132.00 143.59 2dia h PRO 11 Ca -0.20 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.85 2dia h PRO 11 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2dia h PRO 11 CO 0.16 0.30 -0.33 0.77 -0.23 0.00 0.00 178.00 178.67 2dia h SER 12 N 0.00 0.07 0.52 1.44 0.02 -1.96 -2.00 113.55 111.64 2dia h SER 12 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2dia h SER 12 Cb 0.72 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2dia h SER 12 CO 0.04 0.40 0.00 0.29 -1.14 0.00 0.00 176.83 176.42 2dia n LYS 13 N -4.12 0.11 -2.85 3.45 4.76 -1.10 -4.66 118.16 113.75 2dia n LYS 13 Ca -0.02 0.39 -0.41 0.00 -2.87 0.00 0.00 58.31 55.40 2dia n LYS 13 Cb 0.39 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 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 -3.21 4.92 -0.10 -0.18 1.01 -0.75 -4.40 120.40 117.69 2dia s VAL 14 Ca 0.04 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.82 2dia s VAL 14 Cb 0.08 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2dia s VAL 14 CO 0.30 0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.70 2dia s VAL 15 N 1.28 2.95 0.01 2.92 1.01 -1.02 -4.71 120.40 122.84 2dia s VAL 15 Ca 0.44 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2dia s VAL 15 Cb -0.19 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2dia s VAL 15 CO 0.21 0.55 -0.14 0.00 0.00 0.00 0.00 175.10 175.72 2dia s ALA 16 N -0.05 1.16 0.29 5.51 0.00 -1.26 -0.15 121.76 127.26 2dia s ALA 16 Ca -0.03 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 2dia s ALA 16 Cb -0.14 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2dia s ALA 16 CO 0.04 0.26 0.67 -1.54 0.00 0.00 0.00 175.76 175.19 2dia s SER 17 N -0.69 -0.14 0.00 0.00 1.04 -1.03 -5.00 113.70 107.89 2dia s SER 17 Ca 0.04 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2dia s SER 17 Cb -0.06 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2dia s SER 17 CO 0.00 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2dia n GLY 18 N -0.46 3.27 0.21 7.32 0.00 -1.26 -1.34 105.19 112.92 2dia n GLY 18 Ca -0.04 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 0.00 1.61 0.13 -1.89 -2.97 132.00 128.88 2dia h PRO 19 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2dia h PRO 19 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dia h PRO 19 CO 0.00 0.30 -0.20 0.78 -0.23 0.00 0.00 178.00 178.65 2dia h GLY 20 N 1.64 0.00 1.04 1.56 0.00 -1.63 0.14 103.07 105.82 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 0.04 0.00 -0.14 1.04 0.00 0.00 0.00 176.54 177.47 2dia n LEU 21 N -4.14 0.43 -0.08 3.11 4.77 -1.12 -3.81 117.00 116.16 2dia n LEU 21 Ca -0.02 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2dia n LEU 21 Cb 0.27 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2dia n LEU 21 CO 0.35 0.08 -1.00 -0.62 -1.33 0.00 0.00 177.39 174.88 2dia n GLU 22 N -1.08 1.14 -3.61 3.23 1.02 -0.54 -4.83 120.64 115.98 2dia n GLU 22 Ca 0.12 0.04 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2dia n GLU 22 Cb 0.29 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.33 -0.25 0.22 -0.32 -3.43 0.37 -4.64 115.29 104.91 2dia s HIS 23 Ca -0.15 0.05 -0.07 0.00 -0.80 0.00 0.00 55.06 54.09 2dia s HIS 23 Cb 0.05 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.76 2dia s HIS 23 CO 0.48 -0.65 0.31 0.20 -2.00 0.00 0.00 174.74 173.07 2dia s GLY 24 N -2.68 0.95 -0.05 -1.38 0.00 -1.19 -3.90 107.32 99.06 2dia s GLY 24 Ca 0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 2dia s GLY 24 CO -0.04 -1.00 0.12 1.25 0.00 0.00 0.00 173.10 173.43 2dia s LYS 25 N -4.08 0.07 -0.32 2.90 2.20 -1.26 -1.32 119.74 117.93 2dia s LYS 25 Ca 0.30 0.30 -0.36 0.00 -0.36 0.00 0.00 55.97 55.85 2dia s LYS 25 Cb 0.03 -0.15 -0.12 0.00 -1.51 0.00 0.00 37.83 36.08 2dia s LYS 25 CO 0.10 -0.14 2.10 0.28 -0.36 0.00 0.00 175.35 177.32 2dia n VAL 26 N 4.01 0.24 0.00 4.02 0.31 -0.98 0.27 118.33 126.20 2dia n VAL 26 Ca -0.24 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2dia n VAL 26 Cb 0.53 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 6.04 2.79 2.66 2.92 0.00 0.10 -4.50 105.19 115.21 2dia n GLY 27 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 2dia n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dia n GLU 28 N -0.43 -2.10 -3.96 1.61 -0.58 0.14 -4.86 120.64 110.46 2dia n GLU 28 Ca 0.00 -1.36 -0.29 0.00 -0.42 0.00 0.00 57.16 55.10 2dia n GLU 28 Cb 0.00 -1.15 -0.17 0.00 -0.57 0.00 0.00 31.44 29.55 2dia n GLU 28 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dia s ALA 29 N -3.30 1.61 -0.56 0.62 0.00 -1.26 -3.99 121.76 114.88 2dia s ALA 29 Ca 0.53 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 51.46 2dia s ALA 29 Cb -0.04 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2dia s ALA 29 CO 0.40 -0.45 1.66 0.20 0.00 0.00 0.00 175.76 177.57 2dia s GLY 30 N 1.59 0.58 0.02 0.00 0.00 -0.04 -4.82 107.32 104.65 2dia s GLY 30 Ca 0.04 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 2dia s GLY 30 CO -0.09 3.13 1.60 1.08 0.00 0.00 0.00 173.10 178.81 2dia s LEU 31 N 7.45 4.34 -0.02 0.66 1.43 -1.26 -3.42 118.68 127.86 2dia s LEU 31 Ca 0.62 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 2dia s LEU 31 Cb -0.13 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2dia s LEU 31 CO 0.24 -0.86 0.02 -0.76 0.23 0.00 0.00 176.35 175.22 2dia s LEU 32 N 2.94 1.13 -0.12 1.79 1.43 -0.33 -2.73 118.68 122.79 2dia s LEU 32 Ca 0.72 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2dia s LEU 32 Cb -0.36 -0.09 0.01 0.00 0.03 0.00 0.00 46.19 45.78 2dia s LEU 32 CO 0.30 -0.12 -0.20 -0.55 0.23 0.00 0.00 176.35 176.02 2dia s SER 33 N 1.01 2.85 -0.22 2.29 0.15 -0.45 -0.97 113.70 118.36 2dia s SER 33 Ca -0.09 -0.53 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 2dia s SER 33 Cb -0.12 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 2dia s SER 33 CO -0.03 0.06 0.05 -0.69 1.20 0.00 0.00 173.24 173.84 2dia s VAL 34 N 0.82 4.34 -0.38 4.45 1.01 -0.65 -2.45 120.40 127.54 2dia s VAL 34 Ca -0.08 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 2dia s VAL 34 Cb -0.16 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2dia s VAL 34 CO -0.01 0.38 0.22 -0.62 0.00 0.00 0.00 175.10 175.07 2dia s ASP 35 N 1.22 5.76 -0.26 3.32 2.15 0.79 -1.67 116.67 127.98 2dia s ASP 35 Ca 0.04 -1.04 -0.09 0.00 0.43 0.00 0.00 52.55 51.90 2dia s ASP 35 Cb -0.14 -2.03 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 2dia s ASP 35 CO 0.03 -0.41 0.12 0.00 -0.17 0.00 0.00 175.17 174.74 2dia n SER 37 N 4.98 0.85 -0.20 0.00 3.41 -1.26 -4.78 113.62 116.61 2dia n SER 37 Ca -0.15 0.13 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 2dia n SER 37 Cb 0.51 -0.37 0.15 0.00 -0.26 0.00 0.00 64.21 64.25 2dia n SER 37 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dia n GLU 38 N -3.31 1.33 0.00 4.33 1.02 -1.26 -4.69 120.64 118.06 2dia n GLU 38 Ca -0.03 -2.72 0.05 0.00 -0.02 0.00 0.00 57.16 54.44 2dia n GLU 38 Cb 0.12 -1.51 0.24 0.00 -0.02 0.00 0.00 31.44 30.27 2dia n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dia n ALA 39 N -1.34 1.57 -0.74 0.62 0.00 -1.26 -4.26 120.51 115.10 2dia n ALA 39 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2dia n ALA 39 Cb 0.65 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2dia n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dia n GLY 40 N -0.44 0.41 0.00 0.00 0.00 -1.26 -1.56 105.19 102.33 2dia n GLY 40 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.41 0.00 1.61 -0.04 -1.26 -4.92 135.00 129.99 2dia n PRO 41 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dia n PRO 41 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 2.45 2.37 3.68 0.55 0.00 -1.26 -4.77 105.19 108.20 2dia n GLY 42 Ca 0.00 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.70 3.26 0.02 4.61 0.00 -1.26 -4.72 121.76 120.98 2dia s ALA 43 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 2dia s ALA 43 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 2dia s ALA 43 CO 0.00 0.64 0.40 -1.17 0.00 0.00 0.00 175.76 175.63 2dia s LEU 44 N -1.55 4.44 -0.21 0.00 2.96 -1.26 -1.40 118.68 121.66 2dia s LEU 44 Ca 0.19 0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 54.91 2dia s LEU 44 Cb -0.11 -2.69 0.08 0.00 0.50 0.00 0.00 46.19 43.96 2dia s LEU 44 CO 0.10 0.28 0.48 -0.83 -1.32 0.00 0.00 176.35 175.06 2dia s GLY 45 N -1.27 -0.42 0.06 7.98 0.00 -0.94 -5.02 107.32 107.71 2dia s GLY 45 Ca 0.26 1.74 0.05 0.00 0.00 0.00 0.00 44.72 46.78 2dia s GLY 45 CO 0.14 2.11 -0.06 -2.27 0.00 0.00 0.00 173.10 173.02 2dia s LEU 46 N 1.88 3.20 -0.20 0.66 2.96 -1.26 -1.13 118.68 124.78 2dia s LEU 46 Ca -0.07 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2dia s LEU 46 Cb -0.09 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.74 2dia s LEU 46 CO -0.15 0.22 0.02 -0.70 -1.32 0.00 0.00 176.35 174.42 2dia s GLU 47 N -1.92 0.82 -0.13 1.98 2.12 0.20 -4.98 118.70 116.78 2dia s GLU 47 Ca 0.21 -0.53 -0.17 0.00 0.36 0.00 0.00 54.97 54.84 2dia s GLU 47 Cb -0.11 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 2dia s GLU 47 CO 0.12 -0.64 0.42 0.00 -0.54 0.00 0.00 175.26 174.63 2dia s ALA 48 N 1.78 3.51 -0.12 6.30 0.00 -1.26 -2.05 121.76 129.91 2dia s ALA 48 Ca -0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 2dia s ALA 48 Cb -0.17 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.40 2dia s ALA 48 CO -0.08 0.01 0.32 0.08 0.00 0.00 0.00 175.76 176.10 2dia s VAL 49 N 0.61 -0.01 0.34 0.00 1.01 -1.18 -2.72 120.40 118.45 2dia s VAL 49 Ca 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 2dia s VAL 49 Cb -0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2dia s VAL 49 CO 0.08 0.01 0.60 -0.55 0.00 0.00 0.00 175.10 175.24 2dia s SER 50 N 0.39 6.40 0.55 3.32 0.15 -0.68 0.69 113.70 124.51 2dia s SER 50 Ca -0.02 0.72 0.39 0.00 0.70 0.00 0.00 55.95 57.74 2dia s SER 50 Cb -0.04 -2.15 1.57 0.00 -1.71 0.00 0.00 66.02 63.70 2dia s SER 50 CO -0.02 -0.28 1.75 -2.24 1.20 0.00 0.00 173.24 173.65 2dia h ASP 51 N 1.26 0.00 -0.75 5.45 3.04 -1.74 1.25 116.42 124.93 2dia h ASP 51 Ca -0.48 0.00 -0.36 0.00 -3.24 0.00 0.00 57.03 52.95 2dia h ASP 51 Cb 1.20 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 39.27 2dia h ASP 51 CO 0.64 0.00 0.46 -0.24 -2.04 0.00 0.00 179.24 178.07 2dia n SER 52 N -4.10 3.72 -3.46 4.15 2.88 -1.26 -4.91 113.62 110.64 2dia n SER 52 Ca 0.29 -3.21 -0.22 0.00 -1.33 0.00 0.00 58.87 54.40 2dia n SER 52 Cb 1.38 -0.75 0.05 0.00 -0.75 0.00 0.00 64.21 64.14 2dia n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dia n GLY 53 N -0.66 -1.10 3.12 0.46 0.00 0.43 -4.98 105.19 102.46 2dia n GLY 53 Ca 0.44 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.65 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 -3.37 2.56 -0.17 2.61 2.01 -1.20 -4.82 115.64 113.26 2dia s THR 54 Ca 0.40 -1.51 -0.29 0.00 0.31 0.00 0.00 61.69 60.60 2dia s THR 54 Cb -0.10 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 2dia s THR 54 CO 0.81 -0.06 1.42 -0.54 -0.69 0.00 0.00 174.62 175.55 2dia s LYS 55 N 1.18 4.08 0.15 4.92 1.02 -1.26 -1.69 119.74 128.13 2dia s LYS 55 Ca -0.07 1.70 -0.08 0.00 0.02 0.00 0.00 55.97 57.54 2dia s LYS 55 Cb -0.20 -3.88 -0.06 0.00 -0.52 0.00 0.00 37.83 33.17 2dia s LYS 55 CO -0.03 -0.92 0.44 0.00 -0.92 0.00 0.00 175.35 173.92 2dia s ALA 56 N 4.09 3.69 -0.19 5.17 0.00 -1.10 -4.92 121.76 128.50 2dia s ALA 56 Ca 0.62 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2dia s ALA 56 Cb -0.24 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2dia s ALA 56 CO 0.22 0.58 2.02 -2.00 0.00 0.00 0.00 175.76 176.57 2dia s GLU 57 N -2.42 3.44 0.15 0.00 2.12 -1.15 -4.66 118.70 116.18 2dia s GLU 57 Ca 0.40 1.98 0.08 0.00 0.36 0.00 0.00 54.97 57.79 2dia s GLU 57 Cb -0.13 -4.26 -0.04 0.00 0.26 0.00 0.00 34.13 29.97 2dia s GLU 57 CO 0.21 -1.75 -0.11 0.08 -0.54 0.00 0.00 175.26 173.16 2dia s VAL 58 N 6.94 3.19 -0.18 3.70 1.01 -1.26 -0.61 120.40 133.19 2dia s VAL 58 Ca 0.91 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 2dia s VAL 58 Cb -0.32 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.58 2dia s VAL 58 CO 0.35 -0.02 0.43 -0.55 0.00 0.00 0.00 175.10 175.31 2dia s SER 59 N -2.58 -0.53 -0.06 3.32 0.15 -0.72 -5.01 113.70 108.27 2dia s SER 59 Ca 0.23 0.93 0.03 0.00 0.70 0.00 0.00 55.95 57.84 2dia s SER 59 Cb -0.10 0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 2dia s SER 59 CO 0.14 -0.19 -0.14 -0.63 1.20 0.00 0.00 173.24 173.63 2dia s ILE 60 N 1.16 3.10 0.02 6.45 1.01 -1.26 -1.98 121.20 129.69 2dia s ILE 60 Ca -0.08 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2dia s ILE 60 Cb -0.07 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2dia s ILE 60 CO -0.10 0.59 -0.09 -1.58 0.00 0.00 0.00 174.94 173.75 2dia s GLN 61 N -0.65 0.67 0.23 2.79 2.00 -0.83 -4.96 119.66 118.92 2dia s GLN 61 Ca 0.10 -0.50 0.06 0.00 -2.00 0.00 0.00 55.36 53.02 2dia s GLN 61 Cb -0.11 -0.61 -0.04 0.00 0.80 0.00 0.00 33.01 33.05 2dia s GLN 61 CO 0.01 0.15 0.20 1.21 -0.50 0.00 0.00 175.29 176.36 2dia s ASN 62 N -0.74 5.60 0.31 6.67 3.84 -1.26 -0.10 114.94 129.26 2dia s ASN 62 Ca -0.00 -0.19 0.06 0.00 0.21 0.00 0.00 52.86 52.93 2dia s ASN 62 Cb -0.06 -1.46 -0.02 0.00 -0.55 0.00 0.00 41.25 39.16 2dia s ASN 62 CO 0.00 -0.02 0.21 0.59 -2.79 0.00 0.00 177.10 175.10 2dia n ASN 63 N -1.01 -0.07 -0.30 -4.21 3.02 -0.96 -4.90 115.26 106.83 2dia n ASN 63 Ca -0.08 -2.91 0.13 0.00 -0.03 0.00 0.00 54.58 51.69 2dia n ASN 63 Cb 0.57 1.29 0.36 0.00 -0.61 0.00 0.00 39.78 41.39 2dia n ASN 63 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dia n LYS 64 N -0.63 0.97 -0.74 3.52 4.01 -1.26 -3.80 118.16 120.22 2dia n LYS 64 Ca 0.03 -0.60 0.06 0.00 -0.51 0.00 0.00 58.31 57.29 2dia n LYS 64 Cb 0.53 -1.49 0.35 0.00 -0.51 0.00 0.00 35.03 33.91 2dia n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2dia n ASP 65 N -0.49 4.97 0.00 4.39 -0.08 -1.26 -4.88 116.55 119.19 2dia n ASP 65 Ca 0.13 -2.74 0.00 0.00 -1.51 0.00 0.00 54.79 50.67 2dia n ASP 65 Cb 0.36 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.18 2dia n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dia n GLY 66 N 0.63 0.16 3.95 0.27 0.00 -1.25 -4.82 105.19 104.12 2dia n GLY 66 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.37 3.88 0.03 2.61 -4.23 -1.26 -3.27 115.64 112.03 2dia s THR 67 Ca 0.00 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2dia s THR 67 Cb 0.00 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 2dia s THR 67 CO 0.00 -0.16 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.47 2dia s TYR 68 N -2.22 1.23 -0.53 3.99 1.51 -0.67 -2.28 117.35 118.39 2dia s TYR 68 Ca 0.44 -0.32 -0.11 0.00 -1.01 0.00 0.00 57.07 56.07 2dia s TYR 68 Cb -0.08 -0.75 0.13 0.00 -0.11 0.00 0.00 41.96 41.15 2dia s TYR 68 CO 0.30 0.02 0.42 0.00 -1.11 0.00 0.00 175.55 175.18 2dia s ALA 69 N -0.72 3.52 -0.12 3.71 0.00 0.85 -1.64 121.76 127.36 2dia s ALA 69 Ca 0.03 -2.64 -0.11 0.00 0.00 0.00 0.00 51.96 49.23 2dia s ALA 69 Cb -0.07 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2dia s ALA 69 CO 0.01 -1.97 0.23 0.08 0.00 0.00 0.00 175.76 174.10 2dia s VAL 70 N 1.24 5.35 0.01 0.00 1.01 -0.15 -1.97 120.40 125.89 2dia s VAL 70 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2dia s VAL 70 Cb -0.25 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2dia s VAL 70 CO -0.01 0.52 -0.02 -0.89 0.00 0.00 0.00 175.10 174.71 2dia s THR 71 N -0.41 0.08 -0.04 3.92 2.01 -0.84 -1.18 115.64 119.17 2dia s THR 71 Ca 0.16 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2dia s THR 71 Cb -0.13 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.26 2dia s THR 71 CO 0.05 -0.22 -0.01 -0.72 -0.69 0.00 0.00 174.62 173.03 2dia s TYR 72 N -0.66 0.50 -0.45 4.92 -0.85 -1.22 -1.75 117.35 117.84 2dia s TYR 72 Ca -0.07 -0.08 -0.08 0.00 -0.52 0.00 0.00 57.07 56.32 2dia s TYR 72 Cb -0.05 -0.57 0.11 0.00 0.38 0.00 0.00 41.96 41.84 2dia s TYR 72 CO -0.00 -0.19 0.29 0.08 -1.52 0.00 0.00 175.55 174.21 2dia s VAL 73 N 1.23 3.97 0.09 -3.49 1.01 0.22 -0.87 120.40 122.57 2dia s VAL 73 Ca -0.07 -1.80 -0.31 0.00 0.00 0.00 0.00 61.98 59.81 2dia s VAL 73 Cb -0.13 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 2dia s VAL 73 CO -0.02 -0.71 1.38 -2.16 0.00 0.00 0.00 175.10 173.59 2dia s PRO 74 N 1.31 4.32 -0.07 2.72 0.04 -1.26 -2.95 135.00 139.12 2dia s PRO 74 Ca 0.06 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 2dia s PRO 74 Cb -0.25 -3.32 -0.29 0.00 0.04 0.00 0.00 34.50 30.68 2dia s PRO 74 CO -0.01 -0.45 0.65 -0.07 0.04 0.00 0.00 177.00 177.16 2dia h LEU 75 N 7.07 0.51 -8.64 -3.56 3.38 -1.92 0.30 115.31 112.45 2dia h LEU 75 Ca -0.41 -0.90 -0.69 0.00 0.09 0.00 0.00 57.88 55.96 2dia h LEU 75 Cb 1.20 -0.17 -0.29 0.00 0.09 0.00 0.00 40.66 41.50 2dia h LEU 75 CO 0.87 1.68 -0.86 0.28 0.09 0.00 0.00 178.44 180.50 2dia s THR 76 N -2.52 2.31 0.71 0.22 -1.32 -1.26 -4.68 115.64 109.09 2dia s THR 76 Ca -0.17 -1.00 -0.14 0.00 -1.21 0.00 0.00 61.69 59.17 2dia s THR 76 Cb 0.04 -1.84 0.03 0.00 -1.51 0.00 0.00 72.50 69.22 2dia s THR 76 CO 0.82 0.58 1.14 0.00 -2.21 0.00 0.00 174.62 174.95 2dia s ALA 77 N -0.47 2.27 0.00 11.08 0.00 -1.26 -4.91 121.76 128.48 2dia s ALA 77 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2dia s ALA 77 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2dia s ALA 77 CO 0.01 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.58 2dia n GLY 78 N -0.22 0.98 3.66 0.00 0.00 -1.05 -5.00 105.19 103.56 2dia n GLY 78 Ca 0.11 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.32 4.24 0.34 1.61 -1.94 -1.26 -1.83 119.30 119.15 2dia s MET 79 Ca 0.00 1.46 0.07 0.00 -1.71 0.00 0.00 55.69 55.51 2dia s MET 79 Cb 0.00 -3.69 -0.01 0.00 2.01 0.00 0.00 34.83 33.14 2dia s MET 79 CO 0.00 -0.67 0.45 0.71 -0.01 0.00 0.00 175.02 175.51 2dia s TYR 80 N 3.32 3.07 -0.36 -0.03 1.51 -1.15 -1.94 117.35 121.78 2dia s TYR 80 Ca 0.48 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 2dia s TYR 80 Cb -0.17 -1.99 0.11 0.00 -0.11 0.00 0.00 41.96 39.80 2dia s TYR 80 CO 0.09 -0.00 0.13 0.99 -1.11 0.00 0.00 175.55 175.65 2dia s THR 81 N -2.20 1.39 -0.19 -0.71 2.01 0.22 -2.68 115.64 113.48 2dia s THR 81 Ca 0.45 -1.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.17 2dia s THR 81 Cb -0.09 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.40 2dia s THR 81 CO 0.31 -0.72 1.05 -0.76 -0.69 0.00 0.00 174.62 173.80 2dia s LEU 82 N 1.05 4.15 -0.29 4.42 1.43 -0.97 -3.13 118.68 125.34 2dia s LEU 82 Ca 0.12 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 2dia s LEU 82 Cb -0.20 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.56 2dia s LEU 82 CO -0.14 -0.61 -0.01 -0.89 0.23 0.00 0.00 176.35 174.93 2dia s THR 83 N 2.87 1.98 -0.15 5.49 2.01 -0.87 -0.97 115.64 125.99 2dia s THR 83 Ca 0.46 -1.84 -0.05 0.00 0.31 0.00 0.00 61.69 60.57 2dia s THR 83 Cb -0.16 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2dia s THR 83 CO 0.10 -0.35 0.02 -0.32 -0.69 0.00 0.00 174.62 173.38 2dia s MET 84 N 1.12 3.67 -0.12 4.92 0.00 -1.26 -0.63 119.30 127.00 2dia s MET 84 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 55.69 55.29 2dia s MET 84 Cb -0.19 -3.03 0.03 0.00 0.00 0.00 0.00 34.83 31.64 2dia s MET 84 CO -0.08 0.36 -0.05 0.15 0.00 0.00 0.00 175.02 175.39 2dia s LYS 85 N 0.09 1.30 -0.33 4.11 1.02 -0.28 -3.06 119.74 122.58 2dia s LYS 85 Ca 0.03 -0.25 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 2dia s LYS 85 Cb -0.13 -1.58 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 2dia s LYS 85 CO 0.02 -0.32 0.13 -0.47 -0.92 0.00 0.00 175.35 173.78 2dia s TYR 86 N 1.75 3.20 -0.85 3.18 6.14 0.22 -2.21 117.35 128.78 2dia s TYR 86 Ca 0.04 -1.00 -0.02 0.00 0.64 0.00 0.00 57.07 56.72 2dia s TYR 86 Cb -0.13 -2.33 0.00 0.00 0.42 0.00 0.00 41.96 39.92 2dia s TYR 86 CO -0.08 -0.61 0.33 0.41 0.64 0.00 0.00 175.55 176.24 2dia n GLY 87 N 4.91 0.02 2.98 8.97 0.00 -0.49 -2.38 105.19 119.20 2dia n GLY 87 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.17 0.86 3.35 -0.02 0.00 -1.26 -4.93 105.19 102.02 2dia n GLY 88 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.10 2.06 0.60 1.61 2.02 -1.00 -5.08 118.70 118.80 2dia s GLU 89 Ca 0.00 -0.96 -0.17 0.00 0.02 0.00 0.00 54.97 53.87 2dia s GLU 89 Cb 0.00 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 2dia s GLU 89 CO 0.00 0.55 1.09 -0.51 0.02 0.00 0.00 175.26 176.41 2dia s LEU 90 N -0.87 3.54 0.30 1.80 1.43 -1.26 0.73 118.68 124.35 2dia s LEU 90 Ca 0.11 1.95 0.03 0.00 -1.03 0.00 0.00 54.13 55.20 2dia s LEU 90 Cb -0.10 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 2dia s LEU 90 CO 0.01 -1.29 0.45 0.68 0.23 0.00 0.00 176.35 176.42 2dia s VAL 91 N -2.24 5.01 -2.00 -1.59 -7.23 -1.17 -4.71 120.40 106.47 2dia s VAL 91 Ca 0.67 -0.78 0.10 0.00 -1.81 0.00 0.00 61.98 60.15 2dia s VAL 91 Cb -0.19 -3.79 0.28 0.00 0.56 0.00 0.00 36.38 33.24 2dia s VAL 91 CO 0.35 -0.39 1.03 -0.81 -0.31 0.00 0.00 175.10 174.97 2dia n PRO 92 N -1.60 0.49 -0.05 4.82 -0.04 -1.26 -1.84 135.00 135.51 2dia n PRO 92 Ca -0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.44 2dia n PRO 92 Cb 0.57 -1.32 0.07 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.82 0.07 -3.68 0.54 8.25 -1.26 -5.03 115.22 113.29 2dia n HIS 93 Ca 0.07 -0.68 -0.14 0.00 -0.26 0.00 0.00 57.72 56.72 2dia n HIS 93 Cb 0.03 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.70 -0.28 0.58 4.41 0.40 -0.77 -4.11 117.98 116.52 2dia s PHE 94 Ca 0.14 0.36 -0.18 0.00 -0.60 0.00 0.00 56.93 56.65 2dia s PHE 94 Cb 0.11 0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.80 2dia s PHE 94 CO 0.02 -0.51 1.12 -1.25 0.70 0.00 0.00 175.22 175.31 2dia s PRO 95 N -1.87 3.16 -0.16 0.24 0.04 -1.26 -4.38 135.00 130.78 2dia s PRO 95 Ca -0.09 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.43 2dia s PRO 95 Cb -0.02 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.60 2dia s PRO 95 CO 0.02 -0.99 0.15 0.00 0.04 0.00 0.00 177.00 176.22 2dia s ALA 96 N -1.98 0.02 0.76 8.56 0.00 -0.14 -4.97 121.76 124.01 2dia s ALA 96 Ca 0.71 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 2dia s ALA 96 Cb -0.23 -1.08 0.05 0.00 0.00 0.00 0.00 23.12 21.86 2dia s ALA 96 CO 0.32 -1.02 1.08 -0.98 0.00 0.00 0.00 175.76 175.16 2dia s ARG 97 N 2.24 2.41 -0.24 0.00 3.03 -1.26 -2.29 118.95 122.85 2dia s ARG 97 Ca 0.04 0.91 -0.04 0.00 2.03 0.00 0.00 55.73 58.68 2dia s ARG 97 Cb -0.15 -1.93 0.13 0.00 -1.03 0.00 0.00 34.95 31.97 2dia s ARG 97 CO -0.09 -1.46 0.41 0.08 -1.13 0.00 0.00 175.30 173.11 2dia s VAL 98 N -3.03 -0.65 -0.12 4.99 1.01 -1.09 -4.89 120.40 116.60 2dia s VAL 98 Ca 0.60 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2dia s VAL 98 Cb -0.15 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2dia s VAL 98 CO 0.55 -0.06 1.85 -0.75 0.00 0.00 0.00 175.10 176.69 2dia s LYS 99 N 2.59 3.80 -0.15 2.72 2.20 -1.26 -2.92 119.74 126.72 2dia s LYS 99 Ca 0.10 2.08 -0.08 0.00 -0.36 0.00 0.00 55.97 57.71 2dia s LYS 99 Cb -0.15 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 2dia s LYS 99 CO -0.15 -1.31 0.13 0.08 -0.36 0.00 0.00 175.35 173.73 2dia s VAL 100 N 5.51 5.39 0.18 4.02 1.01 -0.76 -3.20 120.40 132.54 2dia s VAL 100 Ca 0.83 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.99 2dia s VAL 100 Cb -0.33 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2dia s VAL 100 CO 0.34 0.56 0.34 -1.61 0.00 0.00 0.00 175.10 174.73 2dia s GLU 101 N -0.52 3.48 0.57 2.72 0.41 -0.44 -2.52 118.70 122.40 2dia s GLU 101 Ca 0.12 -0.47 -0.19 0.00 -0.41 0.00 0.00 54.97 54.02 2dia s GLU 101 Cb -0.12 -2.90 -0.05 0.00 -1.78 0.00 0.00 34.13 29.29 2dia s GLU 101 CO 0.02 0.45 1.13 -1.25 -0.49 0.00 0.00 175.26 175.12 2dia s PRO 102 N -3.32 3.25 -0.26 0.39 0.04 -1.26 -2.32 135.00 131.51 2dia s PRO 102 Ca 0.36 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2dia s PRO 102 Cb -0.11 -1.99 0.24 0.00 0.04 0.00 0.00 34.50 32.68 2dia s PRO 102 CO 0.29 -0.93 1.78 0.00 0.04 0.00 0.00 177.00 178.19 2dia n ALA 103 N -1.52 4.61 -1.67 8.56 0.00 -1.26 -4.79 120.51 124.44 2dia n ALA 103 Ca 0.11 -1.47 -0.46 0.00 0.00 0.00 0.00 53.44 51.62 2dia n ALA 103 Cb 0.51 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2dia n ALA 103 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2dia n VAL 104 N 0.15 0.09 -3.67 0.00 0.24 -1.26 -4.95 118.33 108.93 2dia n VAL 104 Ca 0.28 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.34 62.51 2dia n VAL 104 Cb 0.75 -1.60 -0.02 0.00 -1.47 0.00 0.00 33.84 31.51 2dia n VAL 104 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2dia s ASP 105 N 1.42 -0.25 -0.52 -1.34 -4.77 -1.26 -5.12 116.67 104.82 2dia s ASP 105 Ca 0.81 -0.27 -0.02 0.00 -3.30 0.00 0.00 52.55 49.76 2dia s ASP 105 Cb -0.68 0.47 0.14 0.00 -1.09 0.00 0.00 42.92 41.76 2dia s ASP 105 CO 0.40 -0.84 0.32 -0.89 0.70 0.00 0.00 175.17 174.86 2dia s THR 106 N -3.28 3.44 0.82 2.11 2.01 -1.26 -5.09 115.64 114.39 2dia s THR 106 Ca 0.10 -2.57 -0.14 0.00 0.31 0.00 0.00 61.69 59.38 2dia s THR 106 Cb -0.01 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2dia s THR 106 CO -0.02 -0.79 0.66 -0.24 -0.69 0.00 0.00 174.62 173.54 2dia n SER 107 N 3.97 -0.93 -0.09 3.53 2.88 -1.26 -4.96 113.62 116.76 2dia n SER 107 Ca 0.03 0.50 -0.23 0.00 -1.33 0.00 0.00 58.87 57.84 2dia n SER 107 Cb 0.39 -1.29 -0.12 0.00 -0.75 0.00 0.00 64.21 62.44 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 -1.39 1.97 0.00 -3.46 3.41 -1.26 -5.02 113.62 107.87 2dia n SER 108 Ca 0.10 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2dia n SER 108 Cb 0.51 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 1.65 -0.39 3.56 5.00 0.00 -1.26 -5.08 105.19 108.66 2dia n GLY 109 Ca -0.39 0.67 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 2.55 0.11 1.61 0.04 -1.26 -4.93 135.00 133.12 2dia s PRO 110 Ca 0.00 -0.32 0.08 0.00 0.04 0.00 0.00 61.00 60.81 2dia s PRO 110 Cb 0.00 -5.07 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 2dia s PRO 110 CO 0.00 -3.40 -0.21 -1.12 0.04 0.00 0.00 177.00 172.31 2dia s SER 111 N 7.98 2.61 -1.57 6.66 0.01 -1.26 -4.77 113.70 123.36 2dia s SER 111 Ca 0.70 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 2dia s SER 111 Cb -0.06 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.05 2dia s SER 111 CO -0.00 0.07 0.17 -1.20 0.41 0.00 0.00 173.24 172.68 2dia n SER 112 N 1.04 0.28 0.00 2.44 7.64 -1.26 -5.28 113.62 118.48 2dia n SER 112 Ca -0.19 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2dia n SER 112 Cb 0.54 -1.87 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 2dia n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64