#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuu s LYS 2 N 0.00 0.63 -0.16 0.03 -0.14 -0.60 -2.34 119.74 117.16 2nuu s LYS 2 Ca 0.00 -0.80 -0.02 0.00 -1.36 0.00 0.00 55.97 53.79 2nuu s LYS 2 Cb 0.00 -0.49 -0.02 0.00 -1.68 0.00 0.00 37.83 35.65 2nuu s LYS 2 CO 0.00 0.10 -0.07 -1.17 -0.76 0.00 0.00 175.35 173.45 2nuu s LEU 3 N -1.56 2.97 -0.26 3.17 2.96 0.62 -0.89 118.68 125.69 2nuu s LEU 3 Ca -0.07 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2nuu s LEU 3 Cb -0.10 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.91 2nuu s LEU 3 CO 0.01 0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.43 2nuu s VAL 4 N 0.63 2.97 -0.27 1.68 1.01 -0.67 -1.58 120.40 124.17 2nuu s VAL 4 Ca -0.04 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 2nuu s VAL 4 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2nuu s VAL 4 CO 0.03 0.14 0.10 -0.89 0.00 0.00 0.00 175.10 174.47 2nuu s THR 5 N 1.32 4.41 -0.24 3.92 2.01 -0.71 -1.61 115.64 124.74 2nuu s THR 5 Ca -0.01 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2nuu s THR 5 Cb -0.17 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.23 2nuu s THR 5 CO -0.03 0.25 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.41 2nuu s VAL 6 N 1.61 3.09 -0.35 3.82 1.01 0.15 -0.76 120.40 128.98 2nuu s VAL 6 Ca 0.06 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 2nuu s VAL 6 Cb -0.16 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 2nuu s VAL 6 CO 0.05 0.28 0.29 -0.63 0.00 0.00 0.00 175.10 175.09 2nuu s ILE 7 N 1.39 5.24 0.36 2.22 1.01 -0.58 -0.88 121.20 129.96 2nuu s ILE 7 Ca 0.03 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2nuu s ILE 7 Cb -0.16 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2nuu s ILE 7 CO -0.04 -0.06 0.12 0.27 0.00 0.00 0.00 174.94 175.23 2nuu s ILE 8 N 1.83 0.65 0.26 2.92 -4.36 -0.29 -2.16 121.20 120.05 2nuu s ILE 8 Ca 0.08 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 2nuu s ILE 8 Cb -0.17 -2.49 -0.09 0.00 1.25 0.00 0.00 42.46 40.96 2nuu s ILE 8 CO 0.11 0.00 1.07 -0.54 0.24 0.00 0.00 174.94 175.82 2nuu s LYS 9 N -3.78 4.67 0.26 0.37 1.02 -1.26 -1.11 119.74 119.91 2nuu s LYS 9 Ca 0.30 1.75 -0.02 0.00 0.02 0.00 0.00 55.97 58.02 2nuu s LYS 9 Cb 0.05 -3.21 0.46 0.00 -0.52 0.00 0.00 37.83 34.60 2nuu s LYS 9 CO 0.16 0.25 1.82 -1.35 -0.92 0.00 0.00 175.35 175.30 2nuu h PRO 10 N 4.01 0.84 0.00 -1.68 0.11 -1.89 -0.69 132.00 132.70 2nuu h PRO 10 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2nuu h PRO 10 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2nuu h PRO 10 CO 0.68 0.56 0.00 0.27 -0.21 0.00 0.00 178.00 179.29 2nuu h PHE 11 N 0.87 0.00 -0.20 0.65 -0.00 -1.97 -2.89 116.94 113.40 2nuu h PHE 11 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.41 2nuu h PHE 11 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.37 2nuu h PHE 11 CO -0.04 0.00 0.00 1.63 -0.00 0.00 0.00 178.31 179.90 2nuu n LYS 12 N -2.38 1.61 -0.00 6.09 5.02 -0.27 -4.16 118.16 124.07 2nuu n LYS 12 Ca 0.01 -0.94 -0.11 0.00 -2.02 0.00 0.00 58.31 55.25 2nuu n LYS 12 Cb 0.20 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 2nuu n LYS 12 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2nuu h LEU 13 N 1.70 0.10 -0.66 -0.35 6.46 -1.64 -2.42 115.31 118.49 2nuu h LEU 13 Ca 0.00 -0.07 0.11 0.00 -0.12 0.00 0.00 57.88 57.80 2nuu h LEU 13 Cb 0.38 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.20 2nuu h LEU 13 CO 0.00 0.15 0.25 -0.33 -0.62 0.00 0.00 178.44 177.89 2nuu h GLU 14 N 0.05 0.42 -0.37 1.25 3.07 -1.85 0.65 114.58 117.80 2nuu h GLU 14 Ca 0.03 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2nuu h GLU 14 Cb 0.07 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2nuu h GLU 14 CO -0.00 0.28 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.24 2nuu h ASP 15 N 0.43 0.70 -0.14 1.42 3.45 -1.79 -2.67 116.42 117.81 2nuu h ASP 15 Ca 0.34 -0.24 -0.22 0.00 0.43 0.00 0.00 57.03 57.35 2nuu h ASP 15 Cb 0.46 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 39.05 2nuu h ASP 15 CO -0.34 0.90 -0.76 0.58 -1.57 0.00 0.00 179.24 178.05 2nuu h VAL 16 N 0.62 1.28 -0.13 -1.35 2.07 -0.90 -2.69 116.25 115.16 2nuu h VAL 16 Ca 0.09 -1.97 0.03 0.00 0.82 0.00 0.00 66.70 65.68 2nuu h VAL 16 Cb 0.68 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2nuu h VAL 16 CO 0.05 0.62 -0.07 0.03 0.02 0.00 0.00 177.57 178.22 2nuu h ARG 17 N 0.49 -0.06 -0.28 1.57 3.08 -0.84 -0.85 114.38 117.49 2nuu h ARG 17 Ca -0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2nuu h ARG 17 Cb 1.40 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2nuu h ARG 17 CO 0.16 -0.04 0.06 0.93 -1.07 0.00 0.00 179.97 180.01 2nuu h GLU 18 N -0.06 0.45 -0.45 0.04 5.08 -1.55 -1.93 114.58 116.17 2nuu h GLU 18 Ca 0.07 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2nuu h GLU 18 Cb 0.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2nuu h GLU 18 CO -0.17 0.55 0.30 0.00 -1.00 0.00 0.00 179.01 178.69 2nuu h ALA 19 N 0.89 1.90 -0.05 3.43 0.00 -1.33 0.48 119.26 124.59 2nuu h ALA 19 Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2nuu h ALA 19 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2nuu h ALA 19 CO 0.00 0.02 -0.62 -0.07 0.00 0.00 0.00 179.25 178.58 2nuu h LEU 20 N 0.41 0.22 -0.42 0.00 4.07 -0.80 -2.95 115.31 115.84 2nuu h LEU 20 Ca 0.19 -0.13 -0.16 0.00 0.08 0.00 0.00 57.88 57.87 2nuu h LEU 20 Cb 0.25 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2nuu h LEU 20 CO -0.05 0.79 -0.37 0.28 -1.08 0.00 0.00 178.44 178.01 2nuu h SER 21 N 0.14 0.98 -1.21 -0.43 0.02 -0.20 0.88 113.55 113.74 2nuu h SER 21 Ca -0.01 -0.44 0.34 0.00 -0.84 0.00 0.00 61.79 60.84 2nuu h SER 21 Cb 1.13 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.32 2nuu h SER 21 CO 0.09 1.24 0.84 0.28 -1.14 0.00 0.00 176.83 178.14 2nuu h SER 22 N 0.76 0.14 -0.36 3.07 0.02 -0.90 0.30 113.55 116.58 2nuu h SER 22 Ca 0.06 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2nuu h SER 22 Cb 0.96 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2nuu h SER 22 CO 0.09 0.01 0.00 2.30 -1.14 0.00 0.00 176.83 178.09 2nuu n ILE 23 N -4.32 1.61 -2.54 3.27 -5.35 -1.17 -4.98 119.36 105.87 2nuu n ILE 23 Ca 0.28 -1.36 -0.02 0.00 -0.27 0.00 0.00 62.75 61.37 2nuu n ILE 23 Cb 1.21 0.16 0.01 0.00 -1.74 0.00 0.00 39.64 39.28 2nuu n ILE 23 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nuu n GLY 24 N 0.21 0.76 2.94 3.28 0.00 0.10 -5.05 105.19 107.44 2nuu n GLY 24 Ca 0.17 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 2nuu n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nuu s ILE 25 N -2.92 1.91 -0.20 -0.61 1.01 0.29 -4.94 121.20 115.74 2nuu s ILE 25 Ca 0.05 -2.10 0.16 0.00 0.00 0.00 0.00 60.65 58.75 2nuu s ILE 25 Cb -0.02 -2.42 -0.23 0.00 0.01 0.00 0.00 42.46 39.79 2nuu s ILE 25 CO 0.06 -0.62 0.04 0.00 0.00 0.00 0.00 174.94 174.42 2nuu n GLN 26 N 4.40 0.82 -2.83 2.79 1.13 -1.26 -3.36 117.38 119.07 2nuu n GLN 26 Ca 0.02 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 2nuu n GLN 26 Cb 0.42 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 2nuu n GLN 26 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2nuu s GLY 27 N -5.48 2.33 -0.05 1.08 0.00 -1.26 -5.04 107.32 98.91 2nuu s GLY 27 Ca -0.12 0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.51 2nuu s GLY 27 CO 0.77 1.68 0.82 0.48 0.00 0.00 0.00 173.10 176.85 2nuu s LEU 28 N 1.81 -0.49 -0.12 0.66 0.05 -1.26 -4.75 118.68 114.58 2nuu s LEU 28 Ca 0.43 0.35 0.00 0.00 0.05 0.00 0.00 54.13 54.96 2nuu s LEU 28 Cb -0.18 2.21 -0.02 0.00 -2.05 0.00 0.00 46.19 46.16 2nuu s LEU 28 CO 0.16 -0.58 -0.13 -0.89 -0.55 0.00 0.00 176.35 174.36 2nuu s THR 29 N -1.97 3.04 0.05 5.48 2.01 -0.18 -4.98 115.64 119.10 2nuu s THR 29 Ca -0.03 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.38 2nuu s THR 29 Cb -0.01 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2nuu s THR 29 CO -0.00 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.57 2nuu s VAL 30 N 0.26 2.69 0.01 3.82 1.01 -1.26 0.24 120.40 127.16 2nuu s VAL 30 Ca -0.09 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.65 2nuu s VAL 30 Cb -0.16 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2nuu s VAL 30 CO 0.05 0.32 -0.01 -0.89 0.00 0.00 0.00 175.10 174.57 2nuu s THR 31 N -0.92 0.08 -0.29 3.92 2.01 -0.24 -4.99 115.64 115.21 2nuu s THR 31 Ca 0.14 -0.24 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 2nuu s THR 31 Cb -0.10 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 72.29 2nuu s THR 31 CO 0.05 -0.10 0.78 -1.61 -0.69 0.00 0.00 174.62 173.05 2nuu s GLU 32 N -0.36 4.00 0.42 4.92 2.02 -1.26 -0.94 118.70 127.49 2nuu s GLU 32 Ca -0.03 0.63 0.04 0.00 0.02 0.00 0.00 54.97 55.63 2nuu s GLU 32 Cb -0.03 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 2nuu s GLU 32 CO -0.00 -0.64 0.04 0.14 0.02 0.00 0.00 175.26 174.82 2nuu s VAL 33 N 2.91 1.29 -0.04 2.63 -7.23 -0.82 -4.98 120.40 114.15 2nuu s VAL 33 Ca 0.32 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 2nuu s VAL 33 Cb -0.14 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2nuu s VAL 33 CO 0.12 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.14 2nuu s LYS 34 N -3.80 2.16 0.27 4.82 -0.14 -1.26 -1.48 119.74 120.30 2nuu s LYS 34 Ca 0.25 -0.82 0.09 0.00 -1.36 0.00 0.00 55.97 54.13 2nuu s LYS 34 Cb 0.06 -1.92 -0.05 0.00 -1.68 0.00 0.00 37.83 34.23 2nuu s LYS 34 CO 0.13 0.40 -0.14 0.20 -0.76 0.00 0.00 175.35 175.18 2nuu s GLY 35 N -0.26 1.77 -0.08 -3.33 0.00 0.11 -4.91 107.32 100.64 2nuu s GLY 35 Ca 0.01 -1.85 -0.26 0.00 0.00 0.00 0.00 44.72 42.62 2nuu s GLY 35 CO 0.02 -1.88 0.60 -0.12 0.00 0.00 0.00 173.10 171.72 2nuu s PHE 36 N -2.78 -0.57 0.00 1.90 5.36 -1.26 -0.88 117.98 119.74 2nuu s PHE 36 Ca 0.28 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 2nuu s PHE 36 Cb -0.01 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 2nuu s PHE 36 CO 0.12 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.77 2nuu n GLY 37 N 1.29 -0.58 0.33 13.12 0.00 -1.26 -4.94 105.19 113.14 2nuu n GLY 37 Ca -0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 2nuu n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nuu h ARG 38 N 0.00 1.09 -6.35 1.61 3.08 -2.01 -3.38 114.38 108.42 2nuu h ARG 38 Ca 0.00 -0.20 -0.54 0.00 0.07 0.00 0.00 59.98 59.31 2nuu h ARG 38 Cb 0.00 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 2nuu h ARG 38 CO 0.00 0.89 0.13 -1.14 -1.07 0.00 0.00 179.97 178.78 2nuu s GLN 39 N -5.47 4.47 -0.00 0.04 0.74 -1.26 -4.99 119.66 113.20 2nuu s GLN 39 Ca -0.12 1.03 0.00 0.00 0.05 0.00 0.00 55.36 56.32 2nuu s GLN 39 Cb 0.16 -3.31 -0.00 0.00 1.10 0.00 0.00 33.01 30.95 2nuu s GLN 39 CO 0.83 0.43 0.00 1.63 -0.55 0.00 0.00 175.29 177.63 2nuu n LYS 40 N 2.25 3.45 -0.00 1.67 5.02 -1.26 -4.67 118.16 124.63 2nuu n LYS 40 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2nuu n LYS 40 Cb 0.50 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 2nuu n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nuu n GLY 41 N 3.05 0.47 3.67 0.72 0.00 -1.26 -4.29 105.19 107.56 2nuu n GLY 41 Ca -0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2nuu n GLY 41 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nuu n HIS 42 N 2.14 0.99 -2.26 1.61 -0.00 -1.26 -4.52 115.22 111.91 2nuu n HIS 42 Ca 0.00 0.40 -0.36 0.00 -0.00 0.00 0.00 57.72 57.76 2nuu n HIS 42 Cb 0.00 -2.04 -0.01 0.00 -0.00 0.00 0.00 29.99 27.94 2nuu n HIS 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2nuu s ALA 43 N -2.42 2.88 0.00 -1.41 0.00 -1.26 -4.68 121.76 114.87 2nuu s ALA 43 Ca 0.69 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.61 2nuu s ALA 43 Cb -0.25 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2nuu s ALA 43 CO 0.55 -0.69 -0.18 -1.21 0.00 0.00 0.00 175.76 174.24 2nuu s GLU 44 N -2.90 2.23 -0.13 0.00 2.02 -0.25 -5.00 118.70 114.68 2nuu s GLU 44 Ca 0.67 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.80 2nuu s GLU 44 Cb -0.27 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2nuu s GLU 44 CO 0.32 0.57 -0.20 -1.17 0.02 0.00 0.00 175.26 174.80 2nuu s LEU 45 N -1.09 2.25 -0.33 1.80 0.20 -1.26 -1.28 118.68 118.97 2nuu s LEU 45 Ca 0.13 -0.53 -0.02 0.00 0.69 0.00 0.00 54.13 54.41 2nuu s LEU 45 Cb -0.10 -1.47 0.11 0.00 -0.43 0.00 0.00 46.19 44.30 2nuu s LEU 45 CO 0.03 0.12 0.16 -0.31 -0.29 0.00 0.00 176.35 176.06 2nuu s TYR 46 N 0.57 0.86 0.00 5.38 2.02 -0.58 -5.02 117.35 120.59 2nuu s TYR 46 Ca -0.12 -1.41 0.00 0.00 -0.37 0.00 0.00 57.07 55.18 2nuu s TYR 46 Cb -0.16 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 2nuu s TYR 46 CO 0.04 -0.84 0.00 0.54 -1.57 0.00 0.00 175.55 173.72 2nuu n ARG 47 N 4.67 0.00 0.14 -0.62 1.74 -1.26 0.48 116.66 121.80 2nuu n ARG 47 Ca 0.01 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.21 2nuu n ARG 47 Cb 0.40 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.89 2nuu n ARG 47 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2nuu h GLY 48 N 0.00 0.00 -3.37 -0.13 0.00 -2.03 -3.47 103.07 94.08 2nuu h GLY 48 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2nuu h GLY 48 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 176.54 177.01 2nuu s ALA 49 N -3.31 3.26 -0.23 3.60 0.00 0.18 -5.04 121.76 120.22 2nuu s ALA 49 Ca 0.02 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 2nuu s ALA 49 Cb 0.08 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.94 2nuu s ALA 49 CO 0.75 -0.28 0.02 -2.00 0.00 0.00 0.00 175.76 174.25 2nuu s GLU 50 N -1.94 1.01 -0.37 0.00 2.56 -1.26 -1.53 118.70 117.17 2nuu s GLU 50 Ca 0.51 -0.75 -0.08 0.00 0.00 0.00 0.00 54.97 54.65 2nuu s GLU 50 Cb -0.29 -2.28 0.05 0.00 2.00 0.00 0.00 34.13 33.61 2nuu s GLU 50 CO 0.37 -0.69 0.17 0.71 -0.56 0.00 0.00 175.26 175.26 2nuu s TYR 51 N 1.64 3.28 -0.01 5.30 2.02 -0.40 -4.96 117.35 124.21 2nuu s TYR 51 Ca -0.01 -1.34 0.11 0.00 -0.37 0.00 0.00 57.07 55.46 2nuu s TYR 51 Cb -0.18 -2.48 -0.12 0.00 -0.40 0.00 0.00 41.96 38.78 2nuu s TYR 51 CO -0.10 -0.74 1.21 0.77 -1.57 0.00 0.00 175.55 175.12 2nuu h SER 52 N 8.31 0.00 -3.62 2.29 0.02 -1.93 -0.64 113.55 117.98 2nuu h SER 52 Ca -0.23 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.03 2nuu h SER 52 Cb 1.09 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.38 2nuu h SER 52 CO 0.65 0.80 -0.56 -0.69 -1.14 0.00 0.00 176.83 175.89 2nuu s VAL 53 N -2.80 4.39 0.09 2.27 1.01 -1.26 -4.60 120.40 119.50 2nuu s VAL 53 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2nuu s VAL 53 Cb 0.09 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2nuu s VAL 53 CO 0.80 -0.05 -0.08 0.20 0.00 0.00 0.00 175.10 175.96 2nuu s ASN 54 N 1.55 1.24 0.51 3.32 0.01 -1.26 -5.05 114.94 115.26 2nuu s ASN 54 Ca 0.03 -0.83 0.04 0.00 -0.71 0.00 0.00 52.86 51.38 2nuu s ASN 54 Cb -0.18 0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.55 2nuu s ASN 54 CO 0.05 -0.32 0.71 -0.36 -1.51 0.00 0.00 177.10 175.67 2nuu s PHE 55 N -2.64 2.83 0.08 2.20 0.08 -1.26 -4.41 117.98 114.85 2nuu s PHE 55 Ca 0.05 -0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.03 2nuu s PHE 55 Cb -0.01 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2nuu s PHE 55 CO -0.01 -0.73 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.68 2nuu s LEU 56 N -4.62 2.59 0.33 -0.37 1.43 -0.06 -4.82 118.68 113.16 2nuu s LEU 56 Ca 0.57 -0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 2nuu s LEU 56 Cb -0.10 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 2nuu s LEU 56 CO 0.37 0.22 1.06 -2.84 0.23 0.00 0.00 176.35 175.39 2nuu s PRO 57 N -1.75 4.46 0.13 1.29 0.02 -1.26 0.08 135.00 137.97 2nuu s PRO 57 Ca 0.16 1.65 -0.01 0.00 0.02 0.00 0.00 61.00 62.81 2nuu s PRO 57 Cb -0.10 -2.92 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 2nuu s PRO 57 CO 0.07 0.09 0.05 0.15 -0.33 0.00 0.00 177.00 177.04 2nuu s LYS 58 N -1.87 0.91 -0.11 5.54 -0.14 -0.55 -4.45 119.74 119.08 2nuu s LYS 58 Ca 0.50 -1.43 0.02 0.00 -1.36 0.00 0.00 55.97 53.70 2nuu s LYS 58 Cb -0.27 0.24 -0.01 0.00 -1.68 0.00 0.00 37.83 36.11 2nuu s LYS 58 CO 0.34 -0.25 -0.18 0.08 -0.76 0.00 0.00 175.35 174.58 2nuu s VAL 59 N -4.04 2.67 -0.21 3.17 1.01 -0.27 -1.95 120.40 120.78 2nuu s VAL 59 Ca 0.23 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2nuu s VAL 59 Cb 0.07 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2nuu s VAL 59 CO 0.01 0.55 -0.04 -0.75 0.00 0.00 0.00 175.10 174.87 2nuu s LYS 60 N 0.18 3.44 -0.13 2.72 2.20 -0.12 -1.14 119.74 126.89 2nuu s LYS 60 Ca -0.10 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.87 2nuu s LYS 60 Cb -0.16 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 2nuu s LYS 60 CO 0.06 -0.12 -0.00 0.42 -0.36 0.00 0.00 175.35 175.35 2nuu s ILE 61 N 1.29 4.23 -0.19 5.43 1.01 -0.05 -1.08 121.20 131.84 2nuu s ILE 61 Ca 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 2nuu s ILE 61 Cb -0.14 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2nuu s ILE 61 CO -0.01 0.53 -0.17 -1.81 0.00 0.00 0.00 174.94 173.48 2nuu s ASP 62 N -0.11 3.39 -0.15 3.58 1.01 0.14 -0.68 116.67 123.85 2nuu s ASP 62 Ca 0.04 -0.59 -0.04 0.00 0.71 0.00 0.00 52.55 52.67 2nuu s ASP 62 Cb -0.13 -1.54 0.05 0.00 1.01 0.00 0.00 42.92 42.32 2nuu s ASP 62 CO 0.02 -0.00 0.06 0.54 0.21 0.00 0.00 175.17 176.00 2nuu s VAL 63 N 1.32 0.12 -0.12 -1.27 0.11 -0.63 -1.01 120.40 118.91 2nuu s VAL 63 Ca 0.05 -0.14 -0.28 0.00 -2.93 0.00 0.00 61.98 58.67 2nuu s VAL 63 Cb -0.13 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2nuu s VAL 63 CO -0.11 -0.14 0.94 0.00 -3.33 0.00 0.00 175.10 172.47 2nuu s ALA 64 N 2.05 3.43 0.34 1.54 0.00 -1.26 -1.68 121.76 126.19 2nuu s ALA 64 Ca 0.02 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.28 2nuu s ALA 64 Cb -0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2nuu s ALA 64 CO -0.07 -0.59 0.16 0.96 0.00 0.00 0.00 175.76 176.21 2nuu s ILE 65 N 1.99 0.43 0.20 0.00 -4.36 -0.07 -5.01 121.20 114.38 2nuu s ILE 65 Ca 0.45 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.65 2nuu s ILE 65 Cb -0.18 -2.48 -0.08 0.00 1.25 0.00 0.00 42.46 40.97 2nuu s ILE 65 CO 0.16 0.00 0.69 0.00 0.24 0.00 0.00 174.94 176.03 2nuu s ALA 66 N -3.46 3.45 0.24 2.27 0.00 -1.26 -1.56 121.76 121.44 2nuu s ALA 66 Ca 0.33 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 2nuu s ALA 66 Cb 0.04 -2.76 0.32 0.00 0.00 0.00 0.00 23.12 20.73 2nuu s ALA 66 CO 0.18 0.35 1.51 -0.25 0.00 0.00 0.00 175.76 177.55 2nuu n ASP 67 N 0.76 -0.52 0.01 0.00 8.00 -1.26 -1.96 116.55 121.57 2nuu n ASP 67 Ca -0.03 1.69 -0.04 0.00 0.71 0.00 0.00 54.79 57.12 2nuu n ASP 67 Cb 0.51 -0.44 0.18 0.00 -0.02 0.00 0.00 41.12 41.36 2nuu n ASP 67 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2nuu h ASP 68 N 0.00 0.51 0.32 -2.24 2.03 -2.03 -3.03 116.42 111.98 2nuu h ASP 68 Ca 0.39 -0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 2nuu h ASP 68 Cb 0.63 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 2nuu h ASP 68 CO -0.98 0.77 0.00 0.00 -1.03 0.00 0.00 179.24 178.00 2nuu n GLN 69 N -4.11 0.12 -0.15 4.15 6.02 -0.83 -3.90 117.38 118.68 2nuu n GLN 69 Ca -0.00 0.50 -0.13 0.00 -0.01 0.00 0.00 57.00 57.35 2nuu n GLN 69 Cb 0.42 -1.81 -0.09 0.00 1.02 0.00 0.00 30.24 29.78 2nuu n GLN 69 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2nuu h LEU 70 N 0.00 -1.80 -0.97 1.08 7.12 -1.56 0.11 115.31 119.29 2nuu h LEU 70 Ca 0.00 0.25 -0.03 0.00 0.13 0.00 0.00 57.88 58.23 2nuu h LEU 70 Cb 0.16 0.75 -0.04 0.00 -0.53 0.00 0.00 40.66 41.00 2nuu h LEU 70 CO 0.00 -0.39 0.38 0.44 -0.13 0.00 0.00 178.44 178.74 2nuu h ASP 71 N -0.36 1.01 -0.26 1.25 3.32 -1.84 -1.90 116.42 117.63 2nuu h ASP 71 Ca 0.09 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 2nuu h ASP 71 Cb 0.59 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2nuu h ASP 71 CO -0.62 0.84 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.49 2nuu h GLU 72 N 1.11 0.71 -0.08 3.56 4.81 -1.67 -2.43 114.58 120.58 2nuu h GLU 72 Ca 0.27 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2nuu h GLU 72 Cb 0.10 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2nuu h GLU 72 CO -0.04 0.85 -0.01 0.28 -0.73 0.00 0.00 179.01 179.36 2nuu h VAL 73 N 0.63 1.27 -0.47 0.32 2.07 -0.40 -2.11 116.25 117.57 2nuu h VAL 73 Ca 0.10 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2nuu h VAL 73 Cb 0.66 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 2nuu h VAL 73 CO 0.05 0.24 0.15 0.40 0.02 0.00 0.00 177.57 178.43 2nuu h ILE 74 N -0.16 0.82 0.01 4.57 2.04 -1.29 0.01 117.51 123.50 2nuu h ILE 74 Ca 0.02 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2nuu h ILE 74 Cb 0.37 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2nuu h ILE 74 CO 0.01 0.06 -0.00 -0.78 0.00 0.00 0.00 178.15 177.43 2nuu h ASP 75 N 0.32 -0.01 0.55 1.72 3.58 -1.40 -0.72 116.42 120.46 2nuu h ASP 75 Ca 0.23 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.50 2nuu h ASP 75 Cb 0.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2nuu h ASP 75 CO -0.25 0.07 -0.48 -0.29 -2.88 0.00 0.00 179.24 175.41 2nuu h ILE 76 N -0.08 1.29 0.06 2.25 2.10 -1.15 -2.63 117.51 119.34 2nuu h ILE 76 Ca -0.00 -1.69 -0.14 0.00 1.08 0.00 0.00 64.86 64.11 2nuu h ILE 76 Cb 0.08 1.93 0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2nuu h ILE 76 CO 0.00 0.47 -0.57 0.58 -1.08 0.00 0.00 178.15 177.56 2nuu h VAL 77 N 0.00 1.52 -0.37 2.19 2.07 -0.93 -2.29 116.25 118.44 2nuu h VAL 77 Ca -0.00 -2.26 0.07 0.00 0.82 0.00 0.00 66.70 65.33 2nuu h VAL 77 Cb 0.89 2.94 -0.06 0.00 -1.52 0.00 0.00 31.29 33.53 2nuu h VAL 77 CO 0.06 0.64 -0.04 0.28 0.02 0.00 0.00 177.57 178.53 2nuu h SER 78 N -0.36 -0.23 0.29 0.57 0.02 -1.14 -0.59 113.55 112.11 2nuu h SER 78 Ca -0.09 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2nuu h SER 78 Cb 1.36 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.08 2nuu h SER 78 CO 0.11 -0.08 -0.17 0.11 -1.14 0.00 0.00 176.83 175.66 2nuu h LYS 79 N 0.06 -0.43 0.00 3.45 1.57 -1.53 -1.02 116.57 118.67 2nuu h LYS 79 Ca 0.18 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2nuu h LYS 79 Cb 0.26 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2nuu h LYS 79 CO -0.33 -0.28 -0.28 0.00 -0.57 0.00 0.00 179.45 177.98 2nuu h ALA 80 N 0.26 1.21 0.00 3.86 0.00 -1.21 -3.03 119.26 120.34 2nuu h ALA 80 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2nuu h ALA 80 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2nuu h ALA 80 CO 0.03 0.35 -0.86 0.00 0.00 0.00 0.00 179.25 178.77 2nuu n ALA 81 N -2.34 3.52 -1.79 0.00 0.00 -0.25 -4.49 120.51 115.16 2nuu n ALA 81 Ca -0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 2nuu n ALA 81 Cb 0.38 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 2nuu n ALA 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2nuu s TYR 82 N -3.13 2.83 0.00 0.00 5.04 -0.39 -4.91 117.35 116.78 2nuu s TYR 82 Ca 0.06 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 2nuu s TYR 82 Cb 0.15 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.58 2nuu s TYR 82 CO 0.78 -2.63 0.00 0.25 -1.34 0.00 0.00 175.55 172.60 2nuu n THR 83 N 1.08 0.00 0.00 4.34 -2.24 -1.26 -5.04 114.28 111.16 2nuu n THR 83 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2nuu n THR 83 Cb 0.40 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2nuu n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nuu n GLY 84 N 0.32 3.28 3.87 3.38 0.00 -1.26 -5.05 105.19 109.73 2nuu n GLY 84 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2nuu n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 85 N -0.60 3.80 0.75 1.61 3.01 -1.26 -5.04 119.74 122.02 2nuu s LYS 85 Ca 0.00 0.53 -0.15 0.00 -1.01 0.00 0.00 55.97 55.34 2nuu s LYS 85 Cb 0.00 -2.36 0.05 0.00 -1.01 0.00 0.00 37.83 34.51 2nuu s LYS 85 CO 0.00 -0.07 1.22 0.96 0.51 0.00 0.00 175.35 177.98 2nuu s ILE 86 N -2.40 2.13 0.00 2.17 -4.36 -1.26 -3.29 121.20 114.19 2nuu s ILE 86 Ca 0.52 0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 2nuu s ILE 86 Cb -0.10 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.99 2nuu s ILE 86 CO 0.31 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.07 2nuu n GLY 87 N 0.52 0.76 0.38 6.27 0.00 -1.26 -4.90 105.19 106.96 2nuu n GLY 87 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.34 2nuu n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nuu h ASP 88 N 0.00 0.18 -0.91 1.61 3.32 -1.93 -3.40 116.42 115.29 2nuu h ASP 88 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2nuu h ASP 88 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2nuu h ASP 88 CO 0.00 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 2nuu n GLY 89 N -1.59 -0.85 3.27 2.75 0.00 -1.26 -4.10 105.19 103.40 2nuu n GLY 89 Ca 0.12 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 2nuu n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nuu s LYS 90 N 0.00 0.96 -0.16 1.61 -2.85 -0.92 -5.02 119.74 113.36 2nuu s LYS 90 Ca 0.00 -0.80 -0.02 0.00 -1.00 0.00 0.00 55.97 54.15 2nuu s LYS 90 Cb 0.00 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 2nuu s LYS 90 CO 0.00 -0.34 -0.09 0.42 0.10 0.00 0.00 175.35 175.43 2nuu s ILE 91 N -3.75 3.25 0.10 3.79 1.01 -1.26 -1.53 121.20 122.81 2nuu s ILE 91 Ca 0.03 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.18 2nuu s ILE 91 Cb 0.03 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2nuu s ILE 91 CO -0.11 0.49 -0.12 -0.36 0.00 0.00 0.00 174.94 174.84 2nuu s PHE 92 N 0.68 2.69 -0.04 3.97 0.08 0.06 -4.99 117.98 120.43 2nuu s PHE 92 Ca -0.05 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.83 2nuu s PHE 92 Cb -0.15 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 2nuu s PHE 92 CO 0.02 0.41 -0.06 0.08 -0.10 0.00 0.00 175.22 175.58 2nuu s VAL 93 N -1.18 0.60 0.05 -0.44 1.01 -1.26 -1.74 120.40 117.44 2nuu s VAL 93 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2nuu s VAL 93 Cb -0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2nuu s VAL 93 CO 0.12 0.23 -0.07 0.00 0.00 0.00 0.00 175.10 175.39 2nuu s ALA 94 N 0.76 0.60 0.11 5.51 0.00 -0.61 -4.99 121.76 123.14 2nuu s ALA 94 Ca -0.11 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 2nuu s ALA 94 Cb -0.14 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2nuu s ALA 94 CO 0.01 -0.08 0.84 -1.21 0.00 0.00 0.00 175.76 175.31 2nuu s GLU 95 N -2.03 4.60 -0.16 0.00 0.41 -1.26 -0.28 118.70 119.99 2nuu s GLU 95 Ca -0.06 1.23 -0.04 0.00 -0.41 0.00 0.00 54.97 55.69 2nuu s GLU 95 Cb -0.07 -3.34 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 2nuu s GLU 95 CO -0.01 0.35 -0.01 -0.51 -0.49 0.00 0.00 175.26 174.59 2nuu s LEU 96 N -0.40 3.41 0.17 1.80 1.43 -0.99 -4.86 118.68 119.25 2nuu s LEU 96 Ca 0.40 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 2nuu s LEU 96 Cb -0.22 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2nuu s LEU 96 CO 0.26 0.19 1.40 1.56 0.23 0.00 0.00 176.35 179.99 2nuu h GLN 97 N 6.57 0.14 -1.84 1.70 4.20 -1.97 -3.40 115.11 120.51 2nuu h GLN 97 Ca -0.34 -0.15 0.10 0.00 0.06 0.00 0.00 58.65 58.31 2nuu h GLN 97 Cb 1.18 0.04 -0.20 0.00 0.30 0.00 0.00 27.48 28.81 2nuu h GLN 97 CO 0.64 0.91 0.53 0.50 -0.67 0.00 0.00 178.83 180.74 2nuu s ARG 98 N -3.19 0.68 -0.06 1.46 3.52 -1.26 -5.01 118.95 115.08 2nuu s ARG 98 Ca -0.02 -0.03 -0.00 0.00 -0.13 0.00 0.00 55.73 55.55 2nuu s ARG 98 Cb 0.10 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 2nuu s ARG 98 CO 0.82 -0.25 -0.02 0.08 -0.81 0.00 0.00 175.30 175.11 2nuu s VAL 99 N -1.93 0.46 -0.08 7.11 1.01 -1.26 -4.96 120.40 120.75 2nuu s VAL 99 Ca 0.01 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2nuu s VAL 99 Cb -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.83 2nuu s VAL 99 CO -0.02 0.24 -0.16 -0.63 0.00 0.00 0.00 175.10 174.52 2nuu s ILE 100 N 1.45 1.48 -0.26 2.22 1.01 -1.26 0.77 121.20 126.61 2nuu s ILE 100 Ca -0.03 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 2nuu s ILE 100 Cb -0.13 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 2nuu s ILE 100 CO -0.03 0.43 0.84 -0.60 0.00 0.00 0.00 174.94 175.58 2nuu s ARG 101 N 0.61 4.13 0.17 2.79 3.52 -0.61 -4.96 118.95 124.60 2nuu s ARG 101 Ca -0.15 0.88 -0.14 0.00 -0.13 0.00 0.00 55.73 56.20 2nuu s ARG 101 Cb -0.16 -3.67 0.06 0.00 -1.56 0.00 0.00 34.95 29.62 2nuu s ARG 101 CO 0.05 -0.57 1.81 0.82 -0.81 0.00 0.00 175.30 176.60 2nuu h ILE 102 N 5.48 1.16 -1.00 4.11 2.04 -1.94 0.51 117.51 127.86 2nuu h ILE 102 Ca -0.23 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.34 2nuu h ILE 102 Cb 1.09 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2nuu h ILE 102 CO 0.89 0.16 0.65 -0.09 0.00 0.00 0.00 178.15 179.75 2nuu h ARG 103 N 0.72 1.20 0.00 2.37 2.43 -1.99 -3.34 114.38 115.77 2nuu h ARG 103 Ca 0.19 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2nuu h ARG 103 Cb -0.03 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 2nuu h ARG 103 CO -0.04 0.79 -1.40 0.25 -1.51 0.00 0.00 179.97 178.06 2nuu n THR 104 N -4.47 0.31 -0.48 0.20 -2.24 -1.20 -5.03 114.28 101.38 2nuu n THR 104 Ca 0.14 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2nuu n THR 104 Cb 0.13 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2nuu n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nuu n GLY 105 N 2.46 0.76 3.77 3.38 0.00 0.18 -5.05 105.19 110.69 2nuu n GLY 105 Ca -0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2nuu n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nuu s GLU 106 N -0.54 3.39 0.24 1.61 2.02 -1.24 -4.78 118.70 119.40 2nuu s GLU 106 Ca 0.00 1.65 0.10 0.00 0.02 0.00 0.00 54.97 56.73 2nuu s GLU 106 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 2nuu s GLU 106 CO 0.00 -0.82 -0.07 0.00 0.02 0.00 0.00 175.26 174.39 2nuu s ALA 107 N -1.73 3.02 0.00 5.21 0.00 -1.26 -1.58 121.76 125.42 2nuu s ALA 107 Ca 0.72 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2nuu s ALA 107 Cb -0.25 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2nuu s ALA 107 CO 0.28 0.34 0.00 -0.25 0.00 0.00 0.00 175.76 176.13 2nuu n ASP 108 N -0.52 0.00 -0.33 0.00 9.92 0.23 -1.80 116.55 124.05 2nuu n ASP 108 Ca -0.08 0.00 0.25 0.00 -0.53 0.00 0.00 54.79 54.43 2nuu n ASP 108 Cb 0.58 0.00 0.48 0.00 -0.64 0.00 0.00 41.12 41.54 2nuu n ASP 108 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2nuu h GLU 109 N 0.00 0.25 -0.09 -1.24 3.07 -1.97 0.52 114.58 115.12 2nuu h GLU 109 Ca 0.00 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.73 2nuu h GLU 109 Cb 0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2nuu h GLU 109 CO 0.00 0.16 -0.47 0.00 -1.40 0.00 0.00 179.01 177.31 2nuu h ALA 110 N 1.88 1.04 -0.07 3.43 0.00 -1.72 -3.25 119.26 120.58 2nuu h ALA 110 Ca 0.74 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2nuu h ALA 110 Cb 1.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2nuu h ALA 110 CO -0.64 0.63 -0.38 0.00 0.00 0.00 0.00 179.25 178.85 2nuu h ALA 111 N 1.34 1.24 0.00 0.00 0.00 -0.84 -3.46 119.26 117.53 2nuu h ALA 111 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2nuu h ALA 111 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2nuu h ALA 111 CO 0.07 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.14