#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2byf n SER 2 N 0.00 -1.05 0.01 6.43 2.88 -1.26 -5.04 113.62 115.59 2byf n SER 2 Ca 0.00 -0.77 0.11 0.00 -1.33 0.00 0.00 58.87 56.88 2byf n SER 2 Cb 0.00 0.53 0.11 0.00 -0.75 0.00 0.00 64.21 64.10 2byf n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2byf n GLU 3 N 2.29 0.11 -3.05 -1.46 -0.58 -1.26 -4.83 120.64 111.86 2byf n GLU 3 Ca 0.08 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.49 2byf n GLU 3 Cb 0.68 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.95 2byf n GLU 3 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2byf s GLU 4 N -3.07 4.14 -0.19 3.49 1.03 -1.26 -5.07 118.70 117.77 2byf s GLU 4 Ca 0.08 0.84 0.01 0.00 0.03 0.00 0.00 54.97 55.93 2byf s GLU 4 Cb 0.16 -2.51 0.03 0.00 -0.80 0.00 0.00 34.13 31.01 2byf s GLU 4 CO 0.76 0.18 -0.15 -1.83 -1.33 0.00 0.00 175.26 172.89 2byf s GLU 5 N -2.74 2.55 -0.02 -4.83 -1.05 -1.26 -5.10 118.70 106.25 2byf s GLU 5 Ca 0.53 -0.87 0.07 0.00 -0.15 0.00 0.00 54.97 54.55 2byf s GLU 5 Cb -0.12 -2.50 -0.02 0.00 -0.44 0.00 0.00 34.13 31.05 2byf s GLU 5 CO 0.18 -0.32 -0.22 -1.54 0.95 0.00 0.00 175.26 174.31 2byf s SER 6 N 1.32 2.59 0.06 0.83 1.04 -1.26 -0.61 113.70 117.65 2byf s SER 6 Ca 0.01 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2byf s SER 6 Cb -0.15 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 2byf s SER 6 CO -0.10 0.27 0.03 0.72 0.98 0.00 0.00 173.24 175.13 2byf s PHE 7 N -0.49 3.09 0.04 5.02 -0.71 0.20 -4.74 117.98 120.39 2byf s PHE 7 Ca 0.08 0.05 -0.30 0.00 -1.04 0.00 0.00 56.93 55.72 2byf s PHE 7 Cb -0.09 -1.61 -0.04 0.00 -1.21 0.00 0.00 43.02 40.07 2byf s PHE 7 CO -0.01 0.49 0.99 -0.06 -1.34 0.00 0.00 175.22 175.29 2byf s PHE 8 N -1.27 3.70 0.02 3.49 0.08 -1.26 -1.34 117.98 121.40 2byf s PHE 8 Ca 0.25 1.71 0.08 0.00 0.12 0.00 0.00 56.93 59.09 2byf s PHE 8 Cb -0.12 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2byf s PHE 8 CO 0.17 -0.02 -0.23 0.08 -0.10 0.00 0.00 175.22 175.13 2byf s VAL 9 N 0.64 1.81 -0.35 -0.44 1.01 0.64 -4.94 120.40 118.77 2byf s VAL 9 Ca 0.51 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2byf s VAL 9 Cb -0.22 -1.54 0.06 0.00 0.00 0.00 0.00 36.38 34.68 2byf s VAL 9 CO 0.29 0.37 0.11 -1.10 0.00 0.00 0.00 175.10 174.77 2byf s GLN 10 N -0.91 2.42 -0.02 2.72 -0.21 -1.26 -0.28 119.66 122.12 2byf s GLN 10 Ca 0.09 -1.39 0.07 0.00 0.02 0.00 0.00 55.36 54.15 2byf s GLN 10 Cb -0.09 -3.44 -0.02 0.00 1.00 0.00 0.00 33.01 30.46 2byf s GLN 10 CO 0.01 -0.78 -0.23 0.14 -2.12 0.00 0.00 175.29 172.31 2byf s VAL 11 N 1.30 1.78 -0.24 1.09 -7.23 0.68 -1.84 120.40 115.94 2byf s VAL 11 Ca 0.00 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 2byf s VAL 11 Cb -0.21 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 2byf s VAL 11 CO -0.00 0.50 0.62 -1.00 -0.31 0.00 0.00 175.10 174.91 2byf s HIS 12 N -0.50 3.31 0.46 2.82 3.76 0.04 0.08 115.29 125.27 2byf s HIS 12 Ca 0.08 0.84 0.07 0.00 -0.15 0.00 0.00 55.06 55.90 2byf s HIS 12 Cb -0.09 -2.82 0.01 0.00 1.11 0.00 0.00 32.58 30.79 2byf s HIS 12 CO -0.01 -0.28 0.44 0.16 -0.85 0.00 0.00 174.74 174.21 2byf s ASP 13 N 1.39 4.99 -0.28 1.40 -4.77 -1.26 -1.48 116.67 116.67 2byf s ASP 13 Ca 0.26 -0.85 -0.01 0.00 -3.30 0.00 0.00 52.55 48.66 2byf s ASP 13 Cb -0.16 -0.27 0.20 0.00 -1.09 0.00 0.00 42.92 41.61 2byf s ASP 13 CO 0.09 -0.83 1.97 0.52 0.70 0.00 0.00 175.17 177.61 2byf n VAL 14 N -1.69 2.63 -4.29 2.11 0.31 -1.26 -4.86 118.33 111.28 2byf n VAL 14 Ca 0.04 -1.47 -0.28 0.00 -0.01 0.00 0.00 64.34 62.62 2byf n VAL 14 Cb 0.62 -1.31 -0.10 0.00 -0.91 0.00 0.00 33.84 32.14 2byf n VAL 14 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2byf s SER 15 N 0.35 4.09 0.02 4.52 0.01 -1.26 -4.74 113.70 116.69 2byf s SER 15 Ca 0.27 -0.55 0.23 0.00 1.31 0.00 0.00 55.95 57.21 2byf s SER 15 Cb 0.21 -0.65 0.12 0.00 0.21 0.00 0.00 66.02 65.91 2byf s SER 15 CO -0.00 0.15 1.11 -0.81 0.41 0.00 0.00 173.24 174.10 2byf n PRO 16 N 0.48 0.12 0.19 12.44 -0.04 -1.26 -4.00 135.00 142.92 2byf n PRO 16 Ca -0.13 -0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.39 2byf n PRO 16 Cb 0.54 -1.54 0.28 0.00 -0.04 0.00 0.00 33.50 32.74 2byf n PRO 16 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2byf h GLU 17 N 0.00 0.00 -1.86 0.54 4.39 -1.96 -3.39 114.58 112.30 2byf h GLU 17 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2byf h GLU 17 Cb 0.59 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.94 2byf h GLU 17 CO 0.00 0.35 -0.62 -1.14 -1.16 0.00 0.00 179.01 176.44 2byf s GLN 18 N -3.41 0.51 0.19 2.33 2.00 -1.26 -5.03 119.66 114.99 2byf s GLN 18 Ca 0.02 -0.36 -0.12 0.00 -2.00 0.00 0.00 55.36 52.90 2byf s GLN 18 Cb 0.09 -0.53 0.16 0.00 0.80 0.00 0.00 33.01 33.54 2byf s GLN 18 CO 0.69 -1.11 1.81 -1.35 -0.50 0.00 0.00 175.29 174.83 2byf h PRO 19 N 7.67 0.62 -4.32 1.67 0.11 -1.77 -3.31 132.00 132.66 2byf h PRO 19 Ca -0.03 -0.04 -0.72 0.00 0.11 0.00 0.00 66.00 65.32 2byf h PRO 19 Cb 1.09 -0.14 -0.30 0.00 0.11 0.00 0.00 31.00 31.76 2byf h PRO 19 CO 0.25 0.41 -0.41 -1.17 -0.21 0.00 0.00 178.00 176.86 2byf s LEU 20 N -10.23 5.62 -0.44 2.35 2.96 -1.26 -4.20 118.68 113.48 2byf s LEU 20 Ca -0.13 -1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 51.59 2byf s LEU 20 Cb 0.14 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.85 2byf s LEU 20 CO 0.75 -0.67 1.47 -0.89 -1.32 0.00 0.00 176.35 175.69 2byf s THR 21 N 1.34 3.81 -0.23 3.68 2.01 0.11 -4.86 115.64 121.50 2byf s THR 21 Ca 0.06 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 62.71 2byf s THR 21 Cb -0.26 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 2byf s THR 21 CO -0.01 -0.80 0.37 -0.69 -0.69 0.00 0.00 174.62 172.80 2byf s VAL 22 N 5.85 5.20 0.37 3.82 1.01 -1.26 -0.23 120.40 135.16 2byf s VAL 22 Ca 0.62 0.62 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2byf s VAL 22 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2byf s VAL 22 CO 0.31 0.22 0.11 0.27 0.00 0.00 0.00 175.10 176.01 2byf s ILE 23 N 1.61 0.71 -0.34 2.22 -4.36 0.61 -5.00 121.20 116.65 2byf s ILE 23 Ca 0.17 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.55 2byf s ILE 23 Cb -0.15 -2.49 0.11 0.00 1.25 0.00 0.00 42.46 41.18 2byf s ILE 23 CO 0.08 0.00 0.14 -0.75 0.24 0.00 0.00 174.94 174.65 2byf s LYS 24 N -3.78 0.83 0.21 0.37 2.20 -1.26 -0.26 119.74 118.04 2byf s LYS 24 Ca 0.29 -1.30 0.04 0.00 -0.36 0.00 0.00 55.97 54.64 2byf s LYS 24 Cb 0.05 -2.01 -0.03 0.00 -1.51 0.00 0.00 37.83 34.32 2byf s LYS 24 CO 0.15 -1.04 0.31 0.00 -0.36 0.00 0.00 175.35 174.40 2byf s ALA 25 N 1.29 3.89 0.42 3.13 0.00 -0.45 -4.78 121.76 125.26 2byf s ALA 25 Ca 0.12 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.63 2byf s ALA 25 Cb -0.19 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 2byf s ALA 25 CO -0.18 0.34 1.42 -2.14 0.00 0.00 0.00 175.76 175.21 2byf s PRO 26 N -3.70 3.89 0.00 0.00 0.02 -1.26 0.59 135.00 134.54 2byf s PRO 26 Ca 0.34 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.81 2byf s PRO 26 Cb -0.10 -2.79 0.16 0.00 0.02 0.00 0.00 34.50 31.79 2byf s PRO 26 CO 0.28 -0.65 0.76 0.54 -0.33 0.00 0.00 177.00 177.59 2byf n ARG 27 N 0.10 0.07 -0.02 5.54 1.74 0.22 0.25 116.66 124.56 2byf n ARG 27 Ca 0.03 0.11 0.04 0.00 -0.77 0.00 0.00 57.85 57.26 2byf n ARG 27 Cb 0.41 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 2byf n ARG 27 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2byf n VAL 28 N -1.12 0.17 -1.68 1.55 3.14 -1.26 -4.75 118.33 114.38 2byf n VAL 28 Ca 0.02 -0.35 -0.46 0.00 -2.96 0.00 0.00 64.34 60.59 2byf n VAL 28 Cb 0.01 0.02 -0.04 0.00 -1.06 0.00 0.00 33.84 32.78 2byf n VAL 28 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2byf n SER 29 N -2.07 3.34 -1.55 6.55 3.41 0.14 -4.94 113.62 118.50 2byf n SER 29 Ca -0.06 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2byf n SER 29 Cb 0.46 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 2byf n SER 29 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2byf n THR 30 N 3.91 0.00 0.03 6.66 -2.24 -1.26 -3.75 114.28 117.62 2byf n THR 30 Ca 0.18 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.85 2byf n THR 30 Cb 0.30 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.23 2byf n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2byf h ALA 31 N -0.49 0.02 -0.18 6.98 0.00 -1.84 -0.84 119.26 122.91 2byf h ALA 31 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2byf h ALA 31 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2byf h ALA 31 CO 0.00 -0.50 0.08 0.37 0.00 0.00 0.00 179.25 179.20 2byf h GLN 32 N -0.01 0.24 0.11 0.00 -0.00 -1.29 0.46 115.11 114.62 2byf h GLN 32 Ca 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2byf h GLN 32 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.46 2byf h GLN 32 CO -0.04 0.19 -0.05 -0.44 0.00 0.00 0.00 178.83 178.50 2byf h ASP 33 N 0.24 -0.12 0.36 -0.69 3.32 -1.67 -2.35 116.42 115.51 2byf h ASP 33 Ca 0.06 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 2byf h ASP 33 Cb 0.04 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2byf h ASP 33 CO -0.01 0.47 -0.24 1.62 -1.72 0.00 0.00 179.24 179.37 2byf h VAL 34 N -0.81 0.97 0.37 -1.35 3.04 -0.94 0.78 116.25 118.30 2byf h VAL 34 Ca -0.01 -0.87 -0.00 0.00 -1.01 0.00 0.00 66.70 64.80 2byf h VAL 34 Cb 0.57 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 2byf h VAL 34 CO 0.02 0.23 -0.35 0.40 -1.01 0.00 0.00 177.57 176.87 2byf h ILE 35 N 0.00 0.29 -0.14 3.17 1.08 -0.04 -0.98 117.51 120.90 2byf h ILE 35 Ca -0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 2byf h ILE 35 Cb 0.48 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2byf h ILE 35 CO 0.03 0.00 -0.44 -0.61 -0.69 0.00 0.00 178.15 176.44 2byf h GLN 36 N -0.73 0.32 -0.54 2.37 4.15 -0.81 -0.34 115.11 119.54 2byf h GLN 36 Ca -0.03 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 2byf h GLN 36 Cb 0.66 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 2byf h GLN 36 CO -0.05 0.71 0.24 0.37 -1.93 0.00 0.00 178.83 178.17 2byf h GLN 37 N 0.27 0.76 -0.31 1.69 4.15 -0.81 0.16 115.11 121.02 2byf h GLN 37 Ca 0.02 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.20 2byf h GLN 37 Cb 0.89 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2byf h GLN 37 CO 0.07 0.61 -0.37 1.15 -1.93 0.00 0.00 178.83 178.36 2byf h THR 38 N 0.76 1.29 -0.72 2.39 2.02 -0.45 -2.22 112.91 115.99 2byf h THR 38 Ca 0.19 -1.53 0.11 0.00 0.77 0.00 0.00 66.41 65.94 2byf h THR 38 Cb 0.12 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.90 2byf h THR 38 CO -0.02 0.50 0.33 -0.07 0.37 0.00 0.00 175.52 176.63 2byf h LEU 39 N 0.59 0.39 -1.12 2.58 4.07 0.07 -0.06 115.31 121.83 2byf h LEU 39 Ca 0.05 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 2byf h LEU 39 Cb 0.90 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 2byf h LEU 39 CO 0.08 0.21 0.12 0.00 -1.08 0.00 0.00 178.44 177.77 2byf n LYS 41 N -4.29 0.11 -0.14 0.00 4.81 -0.71 -3.78 118.16 114.16 2byf n LYS 41 Ca 0.03 0.08 0.07 0.00 -0.87 0.00 0.00 58.31 57.62 2byf n LYS 41 Cb 0.21 -1.61 0.14 0.00 0.02 0.00 0.00 35.03 33.78 2byf n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2byf n ALA 42 N -1.62 2.35 1.24 3.14 0.00 -0.12 -4.48 120.51 121.02 2byf n ALA 42 Ca 0.06 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.40 2byf n ALA 42 Cb 0.38 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2byf n ALA 42 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2byf n LYS 43 N -0.88 0.67 0.00 0.00 -0.00 -0.44 -2.79 118.16 114.72 2byf n LYS 43 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2byf n LYS 43 Cb 0.59 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 34.57 2byf n LYS 43 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 2byf n TYR 44 N -0.39 0.00 0.06 5.58 0.18 -1.26 -4.45 117.16 116.88 2byf n TYR 44 Ca 0.00 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.76 2byf n TYR 44 Cb 0.03 0.07 -0.01 0.00 -0.38 0.00 0.00 39.34 39.05 2byf n TYR 44 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2byf h SER 45 N 0.00 -0.13 -0.33 9.48 0.87 -1.75 -2.21 113.55 119.48 2byf h SER 45 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2byf h SER 45 Cb 0.47 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2byf h SER 45 CO 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 2byf n TYR 46 N -2.43 1.08 -3.51 2.24 9.36 -1.26 -4.72 117.16 117.91 2byf n TYR 46 Ca -0.02 -0.38 -0.18 0.00 3.32 0.00 0.00 57.90 60.63 2byf n TYR 46 Cb 0.06 -0.29 0.07 0.00 -0.63 0.00 0.00 39.34 38.55 2byf n TYR 46 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2byf n SER 47 N 0.39 -1.97 -3.70 2.98 7.64 -0.83 -4.89 113.62 113.23 2byf n SER 47 Ca 0.15 -0.69 -0.42 0.00 1.01 0.00 0.00 58.87 58.93 2byf n SER 47 Cb 0.72 -4.79 -0.00 0.00 -1.01 0.00 0.00 64.21 59.13 2byf n SER 47 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2byf n ILE 48 N -4.14 3.70 0.78 0.44 2.08 -1.12 -4.34 119.36 116.77 2byf n ILE 48 Ca -0.28 -3.18 0.08 0.00 0.56 0.00 0.00 62.75 59.93 2byf n ILE 48 Cb 0.67 -2.57 -0.03 0.00 -0.75 0.00 0.00 39.64 36.96 2byf n ILE 48 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2byf n LEU 49 N 5.43 1.41 0.16 1.39 4.32 -1.26 -4.34 117.00 124.11 2byf n LEU 49 Ca 0.53 -0.68 0.05 0.00 -0.02 0.00 0.00 56.01 55.90 2byf n LEU 49 Cb 0.37 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.30 2byf n LEU 49 CO 0.88 0.28 0.57 0.28 -1.22 0.00 0.00 177.39 178.19 2byf h SER 50 N 1.29 0.00 -3.61 -1.43 0.02 -1.96 -3.40 113.55 104.46 2byf h SER 50 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 2byf h SER 50 Cb 0.53 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.67 2byf h SER 50 CO 0.00 0.40 -0.74 0.21 -1.14 0.00 0.00 176.83 175.56 2byf s ASN 51 N -6.39 4.55 -0.10 3.07 3.84 -1.26 -4.94 114.94 113.72 2byf s ASN 51 Ca 0.03 -1.94 0.18 0.00 0.21 0.00 0.00 52.86 51.35 2byf s ASN 51 Cb 0.08 -1.46 0.69 0.00 -0.55 0.00 0.00 41.25 40.01 2byf s ASN 51 CO 0.72 -0.36 1.59 -0.81 -2.79 0.00 0.00 177.10 175.45 2byf n PRO 52 N 4.40 3.55 -3.85 0.43 -0.04 -1.26 -4.91 135.00 133.32 2byf n PRO 52 Ca 0.00 -2.82 -0.27 0.00 -0.04 0.00 0.00 63.50 60.37 2byf n PRO 52 Cb 0.42 -1.82 -0.17 0.00 -0.04 0.00 0.00 33.50 31.89 2byf n PRO 52 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2byf s ASN 53 N -0.97 2.50 0.00 3.54 6.03 -1.26 -4.99 114.94 119.78 2byf s ASN 53 Ca 0.49 -0.52 0.06 0.00 -1.03 0.00 0.00 52.86 51.86 2byf s ASN 53 Cb 0.31 -0.77 0.36 0.00 -3.03 0.00 0.00 41.25 38.12 2byf s ASN 53 CO 0.25 -0.19 1.23 -0.81 -2.03 0.00 0.00 177.10 175.54 2byf n PRO 54 N 4.96 1.00 0.00 3.55 -0.04 -1.26 -3.75 135.00 139.47 2byf n PRO 54 Ca -0.11 -0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.45 2byf n PRO 54 Cb 0.48 -1.09 0.55 0.00 -0.04 0.00 0.00 33.50 33.40 2byf n PRO 54 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2byf n SER 55 N -0.59 0.00 -0.39 3.54 3.41 -1.26 -1.47 113.62 116.86 2byf n SER 55 Ca 0.05 -0.24 0.07 0.00 -0.26 0.00 0.00 58.87 58.48 2byf n SER 55 Cb 0.02 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 63.81 2byf n SER 55 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2byf n ASP 56 N -1.18 1.67 -4.81 4.04 8.00 -1.25 -4.96 116.55 118.07 2byf n ASP 56 Ca 0.12 -1.34 -0.33 0.00 0.71 0.00 0.00 54.79 53.95 2byf n ASP 56 Cb 0.13 0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 2byf n ASP 56 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2byf s TYR 57 N -1.56 3.33 0.06 1.24 1.51 -0.54 -0.07 117.35 121.32 2byf s TYR 57 Ca 0.13 0.23 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 2byf s TYR 57 Cb 0.11 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2byf s TYR 57 CO 0.30 0.57 -0.08 0.14 -1.11 0.00 0.00 175.55 175.37 2byf s VAL 58 N -1.23 0.64 0.03 0.71 -7.23 0.47 -4.53 120.40 109.26 2byf s VAL 58 Ca 0.24 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2byf s VAL 58 Cb -0.12 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 2byf s VAL 58 CO 0.15 -0.46 0.09 -0.22 -0.31 0.00 0.00 175.10 174.35 2byf s LEU 59 N -1.89 3.89 -0.23 1.32 2.96 -1.26 -1.25 118.68 122.23 2byf s LEU 59 Ca -0.05 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 2byf s LEU 59 Cb -0.07 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 2byf s LEU 59 CO -0.00 0.23 0.11 -0.76 -1.32 0.00 0.00 176.35 174.61 2byf s LEU 60 N -1.99 3.83 -1.01 -0.68 2.01 0.05 -1.03 118.68 119.85 2byf s LEU 60 Ca 0.26 0.01 -0.18 0.00 0.01 0.00 0.00 54.13 54.23 2byf s LEU 60 Cb -0.12 -2.01 0.14 0.00 0.01 0.00 0.00 46.19 44.20 2byf s LEU 60 CO 0.17 0.06 1.24 -1.83 1.01 0.00 0.00 176.35 177.00 2byf s GLU 61 N 1.04 3.73 -0.16 1.70 -1.05 0.13 -0.86 118.70 123.22 2byf s GLU 61 Ca 0.05 -1.94 -0.24 0.00 -0.15 0.00 0.00 54.97 52.70 2byf s GLU 61 Cb -0.14 -4.99 -0.02 0.00 -0.44 0.00 0.00 34.13 28.54 2byf s GLU 61 CO 0.04 -1.81 0.76 -2.00 0.95 0.00 0.00 175.26 173.20 2byf s GLU 62 N 2.57 4.30 -0.24 -4.83 2.12 -0.93 -1.75 118.70 119.93 2byf s GLU 62 Ca 0.36 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.60 2byf s GLU 62 Cb -0.04 -3.56 0.04 0.00 0.26 0.00 0.00 34.13 30.83 2byf s GLU 62 CO -0.07 -0.25 -0.11 0.54 -0.54 0.00 0.00 175.26 174.83 2byf s VAL 63 N 1.90 2.42 -0.45 3.70 0.11 0.75 0.03 120.40 128.86 2byf s VAL 63 Ca 0.36 -1.28 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 2byf s VAL 63 Cb -0.17 -2.27 0.02 0.00 -1.53 0.00 0.00 36.38 32.43 2byf s VAL 63 CO 0.13 0.16 1.26 -0.69 -3.33 0.00 0.00 175.10 172.63 2byf s VAL 64 N 1.22 4.07 -0.82 2.04 1.01 -1.16 -0.51 120.40 126.25 2byf s VAL 64 Ca -0.03 1.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 2byf s VAL 64 Cb -0.17 -4.43 0.20 0.00 0.00 0.00 0.00 36.38 31.98 2byf s VAL 64 CO -0.06 -0.90 0.78 -1.59 0.00 0.00 0.00 175.10 173.33 2byf s LYS 65 N 4.67 3.56 0.44 2.72 -2.85 0.08 -2.37 119.74 125.98 2byf s LYS 65 Ca 0.54 -2.33 0.08 0.00 -1.00 0.00 0.00 55.97 53.25 2byf s LYS 65 Cb -0.10 -4.47 0.00 0.00 -2.06 0.00 0.00 37.83 31.21 2byf s LYS 65 CO 0.32 -1.34 0.47 0.16 0.10 0.00 0.00 175.35 175.05 2byf s ASP 66 N 2.41 5.20 -0.12 0.03 -4.77 -1.26 -2.69 116.67 115.46 2byf s ASP 66 Ca 0.18 -0.70 -0.04 0.00 -3.30 0.00 0.00 52.55 48.70 2byf s ASP 66 Cb -0.11 -0.46 0.06 0.00 -1.09 0.00 0.00 42.92 41.32 2byf s ASP 66 CO -0.08 -0.77 0.20 0.28 0.70 0.00 0.00 175.17 175.50 2byf s THR 67 N -2.47 -0.31 -1.34 2.11 -1.32 -1.26 -4.96 115.64 106.08 2byf s THR 67 Ca 0.50 0.23 0.26 0.00 -1.21 0.00 0.00 61.69 61.47 2byf s THR 67 Cb -0.05 -0.42 0.17 0.00 -1.51 0.00 0.00 72.50 70.69 2byf s THR 67 CO 0.30 0.06 1.57 0.41 -2.21 0.00 0.00 174.62 174.74 2byf n THR 68 N 5.33 0.00 -0.08 5.08 -1.04 -1.26 -4.28 114.28 118.03 2byf n THR 68 Ca -0.05 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 61.81 2byf n THR 68 Cb 0.50 0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 69.17 2byf n THR 68 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2byf n ASN 69 N -1.14 1.86 -4.55 8.00 4.13 -1.26 -4.78 115.26 117.52 2byf n ASN 69 Ca 0.09 0.31 -0.43 0.00 1.68 0.00 0.00 54.58 56.24 2byf n ASN 69 Cb 0.33 -0.71 -0.01 0.00 -1.54 0.00 0.00 39.78 37.86 2byf n ASN 69 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2byf s LYS 70 N -2.79 3.90 -0.01 3.52 -0.14 -1.26 -4.79 119.74 118.17 2byf s LYS 70 Ca -0.27 -1.90 0.01 0.00 -1.36 0.00 0.00 55.97 52.44 2byf s LYS 70 Cb 0.05 -5.39 0.04 0.00 -1.68 0.00 0.00 37.83 30.85 2byf s LYS 70 CO 0.40 -2.14 0.68 1.63 -0.76 0.00 0.00 175.35 175.16 2byf n LYS 71 N 7.93 1.17 0.27 1.68 4.76 -1.26 -3.10 118.16 129.61 2byf n LYS 71 Ca 0.42 -0.15 0.18 0.00 -2.87 0.00 0.00 58.31 55.89 2byf n LYS 71 Cb 0.47 -1.41 0.86 0.00 -1.84 0.00 0.00 35.03 33.11 2byf n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2byf h THR 72 N 0.20 0.00 -3.92 -0.18 1.03 -1.94 -3.42 112.91 104.68 2byf h THR 72 Ca 0.00 -0.24 -0.31 0.00 -0.01 0.00 0.00 66.41 65.85 2byf h THR 72 Cb 0.44 1.17 -0.20 0.00 -1.07 0.00 0.00 68.15 68.48 2byf h THR 72 CO 0.02 0.00 -0.74 0.28 -0.01 0.00 0.00 175.52 175.07 2byf s THR 73 N -3.80 0.73 0.65 0.00 -1.32 -1.18 -5.16 115.64 105.56 2byf s THR 73 Ca -0.01 -1.25 -0.10 0.00 -1.21 0.00 0.00 61.69 59.12 2byf s THR 73 Cb 0.10 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 2byf s THR 73 CO 0.45 -0.39 1.02 0.42 -2.21 0.00 0.00 174.62 173.90 2byf s THR 74 N -1.61 3.83 0.10 5.08 -4.23 -1.26 -4.83 115.64 112.70 2byf s THR 74 Ca -0.05 0.41 -0.33 0.00 -1.18 0.00 0.00 61.69 60.54 2byf s THR 74 Cb -0.08 -3.56 -0.12 0.00 1.34 0.00 0.00 72.50 70.07 2byf s THR 74 CO 0.00 -0.69 1.74 -2.65 -0.54 0.00 0.00 174.62 172.48 2byf n PRO 75 N -2.81 2.41 -3.63 3.99 -0.02 -1.26 -4.77 135.00 128.91 2byf n PRO 75 Ca 0.06 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 62.02 2byf n PRO 75 Cb 0.57 -2.71 -0.09 0.00 -0.02 0.00 0.00 33.50 31.24 2byf n PRO 75 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2byf s LYS 76 N 2.23 2.33 -0.57 -0.52 1.02 -1.09 -4.95 119.74 118.18 2byf s LYS 76 Ca 0.83 -1.80 -0.27 0.00 0.02 0.00 0.00 55.97 54.75 2byf s LYS 76 Cb -0.61 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 32.89 2byf s LYS 76 CO 0.40 -1.16 1.58 -1.54 -0.92 0.00 0.00 175.35 173.72 2byf s SER 77 N 2.37 5.83 -0.65 2.83 1.04 -1.26 -0.74 113.70 123.12 2byf s SER 77 Ca 0.07 0.32 -0.24 0.00 0.48 0.00 0.00 55.95 56.58 2byf s SER 77 Cb -0.25 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.39 2byf s SER 77 CO -0.02 -1.94 1.01 -0.44 0.98 0.00 0.00 173.24 172.83 2byf s SER 78 N 5.71 6.20 -0.14 7.02 0.01 0.33 -4.89 113.70 127.94 2byf s SER 78 Ca 0.58 -0.80 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 2byf s SER 78 Cb -0.12 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2byf s SER 78 CO 0.23 -1.47 0.39 -1.58 0.41 0.00 0.00 173.24 171.22 2byf s GLN 79 N 4.31 4.30 0.07 12.44 0.74 -1.26 -0.17 119.66 140.08 2byf s GLN 79 Ca 0.26 0.28 0.07 0.00 0.05 0.00 0.00 55.36 56.02 2byf s GLN 79 Cb -0.15 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 2byf s GLN 79 CO 0.12 0.19 -0.20 0.50 -0.55 0.00 0.00 175.29 175.36 2byf s ARG 80 N 0.58 1.19 -0.05 1.67 3.52 -0.72 -4.93 118.95 120.21 2byf s ARG 80 Ca 0.21 -1.01 -0.04 0.00 -0.13 0.00 0.00 55.73 54.77 2byf s ARG 80 Cb -0.14 -1.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.86 2byf s ARG 80 CO 0.07 0.33 0.13 0.08 -0.81 0.00 0.00 175.30 175.10 2byf s VAL 81 N -0.98 5.19 0.32 7.11 1.01 -1.26 0.17 120.40 131.96 2byf s VAL 81 Ca 0.06 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2byf s VAL 81 Cb -0.09 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2byf s VAL 81 CO 0.03 0.46 0.47 -0.76 0.00 0.00 0.00 175.10 175.30 2byf s LEU 82 N -1.47 4.05 0.81 3.92 1.43 -0.20 -4.85 118.68 122.36 2byf s LEU 82 Ca 0.21 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 2byf s LEU 82 Cb -0.12 -2.89 0.13 0.00 0.03 0.00 0.00 46.19 43.33 2byf s LEU 82 CO 0.11 -0.34 1.13 -0.76 0.23 0.00 0.00 176.35 176.72 2byf s LEU 83 N -4.18 2.80 0.22 1.79 1.43 -1.26 -4.63 118.68 114.85 2byf s LEU 83 Ca 0.41 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.65 2byf s LEU 83 Cb -0.09 -2.57 0.31 0.00 0.03 0.00 0.00 46.19 43.86 2byf s LEU 83 CO 0.32 -2.09 1.78 0.44 0.23 0.00 0.00 176.35 177.03 2byf h ASP 84 N -0.99 0.45 -1.75 2.29 3.32 -1.98 -2.82 116.42 114.95 2byf h ASP 84 Ca -0.43 0.06 -0.58 0.00 0.02 0.00 0.00 57.03 56.10 2byf h ASP 84 Cb 1.28 -0.02 -0.42 0.00 0.22 0.00 0.00 39.33 40.39 2byf h ASP 84 CO 0.48 0.27 -0.73 0.00 -1.72 0.00 0.00 179.24 177.53 2byf n GLN 85 N -4.86 3.21 0.00 3.56 6.02 -1.26 -0.89 117.38 123.16 2byf n GLN 85 Ca 0.10 -4.54 0.11 0.00 -0.01 0.00 0.00 57.00 52.66 2byf n GLN 85 Cb 0.25 -2.19 0.61 0.00 1.02 0.00 0.00 30.24 29.93 2byf n GLN 85 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2byf n GLU 86 N -0.37 0.43 -2.19 -1.09 -0.58 -1.07 -4.89 120.64 110.88 2byf n GLU 86 Ca 0.35 0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 57.12 2byf n GLU 86 Cb 0.58 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.94 2byf n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2byf h VAL 88 N 3.32 1.12 -0.28 0.00 -1.51 -1.77 0.28 116.25 117.40 2byf h VAL 88 Ca -0.20 -2.01 -0.17 0.00 -1.23 0.00 0.00 66.70 63.10 2byf h VAL 88 Cb 0.44 2.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2byf h VAL 88 CO 0.00 0.52 -0.50 0.15 -1.23 0.00 0.00 177.57 176.51 2byf h PHE 89 N 0.00 0.96 -0.13 5.19 3.04 -1.86 0.20 116.94 124.34 2byf h PHE 89 Ca -0.01 -0.33 -0.01 0.00 3.98 0.00 0.00 57.97 61.61 2byf h PHE 89 Cb 1.13 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 2byf h PHE 89 CO 0.00 1.12 0.05 0.37 -2.02 0.00 0.00 178.31 177.83 2byf h GLN 90 N 0.61 0.20 -0.24 1.11 -0.00 -1.77 0.40 115.11 115.43 2byf h GLN 90 Ca 0.02 -0.04 0.05 0.00 -0.00 0.00 0.00 58.65 58.68 2byf h GLN 90 Cb 1.08 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 28.48 2byf h GLN 90 CO 0.11 0.32 -0.09 0.00 0.00 0.00 0.00 178.83 179.17 2byf h ALA 91 N 0.87 0.11 -0.56 3.38 0.00 -0.32 0.83 119.26 123.58 2byf h ALA 91 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2byf h ALA 91 Cb 0.20 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2byf h ALA 91 CO -0.00 -0.50 0.15 0.37 0.00 0.00 0.00 179.25 179.26 2byf h GLN 92 N -0.05 0.85 0.00 0.00 4.15 -0.44 0.14 115.11 119.75 2byf h GLN 92 Ca 0.12 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2byf h GLN 92 Cb 0.23 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2byf h GLN 92 CO -0.27 0.76 0.00 -1.13 -1.93 0.00 0.00 178.83 176.26 2byf n SER 93 N -4.28 0.06 -0.83 -0.69 3.41 0.12 -2.39 113.62 109.02 2byf n SER 93 Ca 0.04 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 2byf n SER 93 Cb 0.22 -0.52 0.08 0.00 -0.26 0.00 0.00 64.21 63.73 2byf n SER 93 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2byf n LYS 94 N -1.56 1.95 -1.76 4.33 4.81 0.33 -4.96 118.16 121.30 2byf n LYS 94 Ca 0.05 -1.72 -0.31 0.00 -0.87 0.00 0.00 58.31 55.46 2byf n LYS 94 Cb 0.27 -1.41 0.03 0.00 0.02 0.00 0.00 35.03 33.93 2byf n LYS 94 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2byf s TRP 95 N -1.85 3.16 -0.14 5.64 0.51 -0.35 -4.98 118.94 120.93 2byf s TRP 95 Ca 0.25 1.43 0.16 0.00 -2.12 0.00 0.00 56.10 55.82 2byf s TRP 95 Cb 0.18 -2.89 0.42 0.00 -0.81 0.00 0.00 33.47 30.37 2byf s TRP 95 CO 0.29 -1.10 1.20 1.63 -0.51 0.00 0.00 176.95 178.47 2byf n LYS 96 N -2.74 1.04 0.00 4.98 4.01 -1.26 -5.05 118.16 119.13 2byf n LYS 96 Ca 0.08 -2.85 0.00 0.00 -0.51 0.00 0.00 58.31 55.03 2byf n LYS 96 Cb 0.53 -1.06 0.00 0.00 -0.51 0.00 0.00 35.03 33.99 2byf n LYS 96 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2byf n GLY 97 N -0.56 1.44 3.01 0.72 0.00 -1.26 -4.79 105.19 103.75 2byf n GLY 97 Ca 0.14 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2byf n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2byf s ALA 98 N -1.00 2.62 0.00 4.61 0.00 -1.00 -4.85 121.76 122.15 2byf s ALA 98 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.85 2byf s ALA 98 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2byf s ALA 98 CO 0.00 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.70 2byf n GLY 99 N 4.39 5.11 3.31 0.00 0.00 -1.25 -3.01 105.19 113.73 2byf n GLY 99 Ca -0.04 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 2byf n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2byf s LYS 100 N 2.10 0.47 -0.24 1.61 1.02 0.10 -4.85 119.74 119.95 2byf s LYS 100 Ca 0.00 0.65 -0.28 0.00 0.02 0.00 0.00 55.97 56.36 2byf s LYS 100 Cb 0.00 0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.49 2byf s LYS 100 CO 0.00 -0.09 0.99 -0.06 -0.92 0.00 0.00 175.35 175.28 2byf s PHE 101 N 0.54 3.31 -0.23 3.18 0.40 -0.77 -2.20 117.98 122.22 2byf s PHE 101 Ca -0.03 1.36 -0.05 0.00 -0.60 0.00 0.00 56.93 57.61 2byf s PHE 101 Cb -0.04 -3.27 -0.01 0.00 0.51 0.00 0.00 43.02 40.21 2byf s PHE 101 CO -0.03 -0.49 -0.01 0.42 0.70 0.00 0.00 175.22 175.80 2byf s ILE 102 N 3.16 3.64 0.06 0.64 1.01 -0.04 -0.78 121.20 128.90 2byf s ILE 102 Ca 0.42 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.36 2byf s ILE 102 Cb -0.15 -2.67 -0.06 0.00 0.01 0.00 0.00 42.46 39.59 2byf s ILE 102 CO 0.07 0.40 1.34 -0.76 0.00 0.00 0.00 174.94 175.99 2byf s LEU 103 N 1.50 4.35 0.00 2.97 1.02 -0.55 -0.77 118.68 127.20 2byf s LEU 103 Ca 0.06 2.17 0.02 0.00 0.02 0.00 0.00 54.13 56.40 2byf s LEU 103 Cb -0.14 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.48 2byf s LEU 103 CO -0.01 -0.62 0.32 1.17 0.02 0.00 0.00 176.35 177.23 2byf n LYS 104 N 4.37 0.46 -4.17 1.70 4.81 -0.38 -4.86 118.16 120.08 2byf n LYS 104 Ca 0.11 -2.44 -0.30 0.00 -0.87 0.00 0.00 58.31 54.81 2byf n LYS 104 Cb 0.44 2.18 -0.09 0.00 0.02 0.00 0.00 35.03 37.58 2byf n LYS 104 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2byf s LEU 105 N 0.00 3.33 0.06 3.14 1.43 -1.26 -0.39 118.68 124.99 2byf s LEU 105 Ca 0.27 -0.23 0.25 0.00 -1.03 0.00 0.00 54.13 53.39 2byf s LEU 105 Cb 0.00 -2.07 0.56 0.00 0.03 0.00 0.00 46.19 44.71 2byf s LEU 105 CO 0.19 0.18 1.47 2.29 0.23 0.00 0.00 176.35 180.72 2byf n LYS 106 N 0.66 0.14 0.00 1.70 2.85 0.89 -0.20 118.16 124.20 2byf n LYS 106 Ca -0.12 0.05 0.15 0.00 -1.05 0.00 0.00 58.31 57.34 2byf n LYS 106 Cb 0.52 -1.60 0.75 0.00 -0.65 0.00 0.00 35.03 34.05 2byf n LYS 106 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2byf n GLU 107 N -1.80 0.41 -0.08 -1.58 -0.00 -1.24 -3.70 120.64 112.65 2byf n GLU 107 Ca 0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 57.16 57.04 2byf n GLU 107 Cb 0.38 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.27 2byf n GLU 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2byf n GLN 108 N -1.29 0.36 -2.71 3.44 6.02 -0.93 -4.81 117.38 117.45 2byf n GLN 108 Ca 0.14 0.16 -0.42 0.00 -0.01 0.00 0.00 57.00 56.87 2byf n GLN 108 Cb 0.24 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 2byf n GLN 108 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2byf s VAL 109 N -2.34 4.26 -0.32 5.09 1.01 0.71 -4.76 120.40 124.04 2byf s VAL 109 Ca -0.24 -1.09 0.14 0.00 0.00 0.00 0.00 61.98 60.79 2byf s VAL 109 Cb 0.09 -4.94 0.47 0.00 0.00 0.00 0.00 36.38 31.99 2byf s VAL 109 CO 0.30 -1.76 1.09 0.00 0.00 0.00 0.00 175.10 174.73 2byf n GLN 110 N 7.91 2.38 0.00 2.72 10.64 -1.25 -4.47 117.38 135.30 2byf n GLN 110 Ca 0.29 -3.80 0.00 0.00 -1.83 0.00 0.00 57.00 51.65 2byf n GLN 110 Cb 0.50 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 2byf n GLN 110 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2byf n ALA 111 N -0.46 0.00 -1.34 2.61 0.00 -1.26 -4.83 120.51 115.23 2byf n ALA 111 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.84 2byf n ALA 111 Cb 0.82 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 2byf n ALA 111 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2byf n SER 112 N 0.00 -7.80 -0.03 0.00 3.41 -1.26 -4.49 113.62 103.45 2byf n SER 112 Ca 0.00 0.73 0.01 0.00 -0.26 0.00 0.00 58.87 59.36 2byf n SER 112 Cb 0.00 -4.21 -0.09 0.00 -0.26 0.00 0.00 64.21 59.65 2byf n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2byf n ARG 113 N -3.98 1.10 0.14 4.33 3.00 -1.26 -4.52 116.66 115.47 2byf n ARG 113 Ca -0.01 -0.07 -0.01 0.00 -0.01 0.00 0.00 57.85 57.75 2byf n ARG 113 Cb 0.66 -1.29 0.21 0.00 0.00 0.00 0.00 32.46 32.03 2byf n ARG 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2byf h GLU 114 N 0.00 0.03 -6.19 5.56 3.07 -2.01 -3.43 114.58 111.61 2byf h GLU 114 Ca -0.13 -0.02 -0.56 0.00 -0.50 0.00 0.00 59.36 58.15 2byf h GLU 114 Cb 1.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2byf h GLU 114 CO 0.01 0.58 1.31 0.34 -1.40 0.00 0.00 179.01 179.85 2byf s ASP 115 N -6.87 6.02 0.00 1.42 2.15 -1.26 -5.29 116.67 112.84 2byf s ASP 115 Ca -0.02 2.08 0.28 0.00 0.43 0.00 0.00 52.55 55.32 2byf s ASP 115 Cb 0.13 -2.52 1.08 0.00 -0.30 0.00 0.00 42.92 41.30 2byf s ASP 115 CO 0.76 -1.48 1.76 0.29 -0.17 0.00 0.00 175.17 176.33