#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 1.28 -0.20 0.03 -0.14 -0.80 -1.38 119.74 118.53 2nuu s LYS 2 Ca 0.00 -1.29 0.01 0.00 -1.36 0.00 0.00 55.97 53.33 2nuu s LYS 2 Cb 0.00 -1.62 0.05 0.00 -1.68 0.00 0.00 37.83 34.58 2nuu s LYS 2 CO 0.00 0.37 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.71 2nuu s LEU 3 N -2.11 2.29 -0.24 3.17 2.96 -0.55 -1.01 118.68 123.20 2nuu s LEU 3 Ca 0.11 -0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 53.02 2nuu s LEU 3 Cb -0.09 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 2nuu s LEU 3 CO 0.06 -0.17 0.08 -0.69 -1.32 0.00 0.00 176.35 174.31 2nuu s VAL 4 N 1.42 4.48 -0.12 1.68 1.01 -0.47 -1.98 120.40 126.41 2nuu s VAL 4 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2nuu s VAL 4 Cb -0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2nuu s VAL 4 CO -0.08 0.35 0.04 -0.89 0.00 0.00 0.00 175.10 174.52 2nuu s THR 5 N 1.44 4.61 -0.08 3.92 2.01 0.73 -2.03 115.64 126.24 2nuu s THR 5 Ca 0.06 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2nuu s THR 5 Cb -0.15 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.40 2nuu s THR 5 CO 0.04 0.57 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.83 2nuu s VAL 6 N -0.54 0.56 -0.24 3.82 1.01 0.51 -0.50 120.40 125.01 2nuu s VAL 6 Ca 0.10 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2nuu s VAL 6 Cb -0.12 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2nuu s VAL 6 CO 0.02 0.29 0.12 -0.63 0.00 0.00 0.00 175.10 174.90 2nuu s ILE 7 N 1.87 4.92 0.25 2.22 1.01 -0.97 -0.07 121.20 130.43 2nuu s ILE 7 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 2nuu s ILE 7 Cb -0.12 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2nuu s ILE 7 CO -0.06 0.34 0.24 0.27 0.00 0.00 0.00 174.94 175.73 2nuu s ILE 8 N 1.30 0.00 0.20 2.92 -4.36 0.01 -2.30 121.20 118.96 2nuu s ILE 8 Ca 0.06 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.26 2nuu s ILE 8 Cb -0.15 -2.48 -0.08 0.00 1.25 0.00 0.00 42.46 41.00 2nuu s ILE 8 CO 0.05 0.00 1.23 -0.54 0.24 0.00 0.00 174.94 175.93 2nuu s LYS 9 N -3.86 4.46 0.26 0.37 1.02 -1.25 -0.66 119.74 120.09 2nuu s LYS 9 Ca 0.37 1.94 -0.02 0.00 0.02 0.00 0.00 55.97 58.28 2nuu s LYS 9 Cb 0.04 -3.22 0.49 0.00 -0.52 0.00 0.00 37.83 34.62 2nuu s LYS 9 CO 0.16 -0.13 1.78 -1.35 -0.92 0.00 0.00 175.35 174.89 2nuu h PRO 10 N 5.18 0.67 0.00 -1.68 0.11 -1.89 -2.22 132.00 132.16 2nuu h PRO 10 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2nuu h PRO 10 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2nuu h PRO 10 CO 0.75 0.45 -0.07 0.27 -0.21 0.00 0.00 178.00 179.19 2nuu h PHE 11 N 0.69 0.00 -0.36 0.65 -0.00 -1.97 -2.98 116.94 112.96 2nuu h PHE 11 Ca 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 58.31 2nuu h PHE 11 Cb 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.44 2nuu h PHE 11 CO -0.08 0.07 0.13 1.63 -0.00 0.00 0.00 178.31 180.06 2nuu n LYS 12 N -3.33 2.42 -0.04 6.09 4.76 -0.83 -4.39 118.16 122.84 2nuu n LYS 12 Ca -0.01 -1.52 -0.13 0.00 -2.87 0.00 0.00 58.31 53.78 2nuu n LYS 12 Cb 0.24 -1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 31.56 2nuu n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2nuu h LEU 13 N 1.59 -0.02 -1.88 -0.35 7.12 -1.68 -3.23 115.31 116.86 2nuu h LEU 13 Ca 0.12 -0.74 0.02 0.00 0.13 0.00 0.00 57.88 57.41 2nuu h LEU 13 Cb 1.50 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.63 2nuu h LEU 13 CO 0.36 0.76 0.13 -0.08 -0.13 0.00 0.00 178.44 179.48 2nuu h GLU 14 N -0.82 0.16 -0.10 1.25 4.22 -1.86 -0.72 114.58 116.71 2nuu h GLU 14 Ca -0.00 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.33 2nuu h GLU 14 Cb 0.76 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2nuu h GLU 14 CO 0.00 0.10 -0.30 -0.44 -2.18 0.00 0.00 179.01 176.19 2nuu h ASP 15 N 0.16 0.44 -0.17 1.04 3.32 -1.86 -2.29 116.42 117.05 2nuu h ASP 15 Ca 0.08 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 2nuu h ASP 15 Cb 0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2nuu h ASP 15 CO -0.01 0.97 0.05 0.58 -1.72 0.00 0.00 179.24 179.11 2nuu h VAL 16 N -0.06 1.19 -0.70 -1.35 2.07 -1.50 0.39 116.25 116.29 2nuu h VAL 16 Ca -0.01 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 66.98 2nuu h VAL 16 Cb 0.93 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 2nuu h VAL 16 CO 0.07 0.19 0.46 -0.09 0.02 0.00 0.00 177.57 178.21 2nuu h ARG 17 N 0.10 0.67 0.00 1.57 2.43 -1.19 0.96 114.38 118.92 2nuu h ARG 17 Ca 0.06 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2nuu h ARG 17 Cb 0.24 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2nuu h ARG 17 CO -0.00 0.44 -0.36 0.93 -1.51 0.00 0.00 179.97 179.47 2nuu h GLU 18 N 0.69 0.00 -0.00 0.20 5.08 -1.05 -2.06 114.58 117.44 2nuu h GLU 18 Ca 0.31 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.46 2nuu h GLU 18 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2nuu h GLU 18 CO -0.10 0.36 -0.89 0.00 -1.00 0.00 0.00 179.01 177.37 2nuu h ALA 19 N 1.64 0.47 -0.04 3.43 0.00 0.76 -2.54 119.26 122.98 2nuu h ALA 19 Ca -0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 54.91 54.03 2nuu h ALA 19 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2nuu h ALA 19 CO 0.05 0.87 -0.70 -0.07 0.00 0.00 0.00 179.25 179.39 2nuu h LEU 20 N 0.16 0.23 -1.06 0.00 4.07 -0.84 -2.99 115.31 114.89 2nuu h LEU 20 Ca -0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 2nuu h LEU 20 Cb 1.52 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 43.18 2nuu h LEU 20 CO 0.14 0.86 -0.15 0.77 -1.08 0.00 0.00 178.44 178.98 2nuu h SER 21 N 0.13 0.00 -0.30 -0.43 4.64 -1.27 -0.10 113.55 116.23 2nuu h SER 21 Ca -0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 2nuu h SER 21 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2nuu h SER 21 CO 0.11 0.15 -0.17 0.28 -0.87 0.00 0.00 176.83 176.33 2nuu h SER 22 N 0.00 0.75 -0.52 4.97 0.02 -1.30 -3.01 113.55 114.46 2nuu h SER 22 Ca -0.00 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2nuu h SER 22 Cb 0.73 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2nuu h SER 22 CO 0.02 0.92 0.06 2.30 -1.14 0.00 0.00 176.83 178.99 2nuu n ILE 23 N -4.14 2.37 -1.03 3.27 -5.35 -1.14 -4.92 119.36 108.42 2nuu n ILE 23 Ca 0.01 -1.22 -0.01 0.00 -0.27 0.00 0.00 62.75 61.26 2nuu n ILE 23 Cb 0.39 -0.34 -0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 0.37 0.50 3.21 3.28 0.00 -1.14 -5.02 105.19 106.39 2nuu n GLY 24 Ca 0.26 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.98 4.36 -0.07 -0.61 1.01 -0.06 -4.85 121.20 119.00 2nuu s ILE 25 Ca 0.00 -2.18 0.20 0.00 0.00 0.00 0.00 60.65 58.67 2nuu s ILE 25 Cb 0.00 -3.83 -0.31 0.00 0.01 0.00 0.00 42.46 38.33 2nuu s ILE 25 CO 0.00 -0.85 0.46 0.00 0.00 0.00 0.00 174.94 174.55 2nuu n GLN 26 N 4.41 0.60 -2.99 2.79 1.13 -1.26 -3.13 117.38 118.94 2nuu n GLN 26 Ca -0.00 -0.18 -0.41 0.00 -1.94 0.00 0.00 57.00 54.47 2nuu n GLN 26 Cb 0.41 -1.47 -0.05 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 -4.24 2.18 -0.03 1.08 0.00 -1.26 -5.03 107.32 100.01 2nuu s GLY 27 Ca -0.07 -0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 2nuu s GLY 27 CO 0.83 1.47 0.91 0.48 0.00 0.00 0.00 173.10 176.79 2nuu s LEU 28 N 1.84 -0.37 -0.05 0.66 2.34 -1.26 -4.78 118.68 117.07 2nuu s LEU 28 Ca 0.35 0.07 0.06 0.00 0.06 0.00 0.00 54.13 54.67 2nuu s LEU 28 Cb -0.17 2.00 -0.01 0.00 -0.56 0.00 0.00 46.19 47.45 2nuu s LEU 28 CO 0.13 -0.57 -0.24 -0.89 -1.06 0.00 0.00 176.35 173.71 2nuu s THR 29 N -2.80 1.97 -0.02 5.48 2.01 -0.52 -5.01 115.64 116.76 2nuu s THR 29 Ca 0.04 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.07 2nuu s THR 29 Cb -0.01 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 2nuu s THR 29 CO -0.07 0.55 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.51 2nuu s VAL 30 N -0.26 1.64 -0.01 3.82 1.01 -1.26 -0.40 120.40 124.94 2nuu s VAL 30 Ca -0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2nuu s VAL 30 Cb -0.12 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2nuu s VAL 30 CO 0.02 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.56 2nuu s THR 31 N -0.44 1.07 -0.17 3.92 2.01 -0.02 -5.00 115.64 117.01 2nuu s THR 31 Ca 0.07 -0.57 -0.25 0.00 0.31 0.00 0.00 61.69 61.25 2nuu s THR 31 Cb -0.08 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2nuu s THR 31 CO -0.00 0.30 0.83 -0.70 -0.69 0.00 0.00 174.62 174.36 2nuu s GLU 32 N -0.26 4.29 0.32 4.92 2.12 -1.26 -1.35 118.70 127.48 2nuu s GLU 32 Ca 0.04 1.01 0.03 0.00 0.36 0.00 0.00 54.97 56.40 2nuu s GLU 32 Cb -0.06 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 2nuu s GLU 32 CO -0.00 -0.34 0.10 0.14 -0.54 0.00 0.00 175.26 174.62 2nuu s VAL 33 N 2.18 0.78 -0.06 3.70 -7.23 -0.94 -4.96 120.40 113.87 2nuu s VAL 33 Ca 0.38 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.60 2nuu s VAL 33 Cb -0.16 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.14 2nuu s VAL 33 CO 0.12 0.00 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.16 2nuu s LYS 34 N -3.90 2.34 0.22 4.82 1.02 -1.26 -1.29 119.74 121.69 2nuu s LYS 34 Ca 0.35 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.63 2nuu s LYS 34 Cb 0.07 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.39 2nuu s LYS 34 CO 0.15 0.27 -0.11 0.20 -0.92 0.00 0.00 175.35 174.94 2nuu s GLY 35 N 0.06 1.49 -0.03 -3.33 0.00 0.03 -4.91 107.32 100.62 2nuu s GLY 35 Ca -0.07 -1.70 -0.07 0.00 0.00 0.00 0.00 44.72 42.87 2nuu s GLY 35 CO 0.04 -1.75 0.16 -0.12 0.00 0.00 0.00 173.10 171.44 2nuu s PHE 36 N -3.05 -0.09 0.00 1.90 5.36 -1.26 -1.03 117.98 119.82 2nuu s PHE 36 Ca 0.24 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 2nuu s PHE 36 Cb 0.01 0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 2nuu s PHE 36 CO 0.07 -0.20 0.00 0.41 -1.46 0.00 0.00 175.22 174.05 2nuu n GLY 37 N 2.21 0.69 0.22 13.12 0.00 -1.26 -4.98 105.19 115.20 2nuu n GLY 37 Ca -0.18 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 0.56 -5.63 1.61 3.08 -2.00 -3.41 114.38 108.58 2nuu h ARG 38 Ca 0.00 -0.30 -0.62 0.00 0.07 0.00 0.00 59.98 59.13 2nuu h ARG 38 Cb 0.00 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 2nuu h ARG 38 CO 0.00 0.89 -0.37 -1.14 -1.07 0.00 0.00 179.97 178.27 2nuu s GLN 39 N -4.18 3.89 0.07 0.04 0.74 -1.26 -5.06 119.66 113.90 2nuu s GLN 39 Ca -0.07 0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.36 2nuu s GLN 39 Cb 0.12 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 2nuu s GLN 39 CO 0.83 0.54 0.02 -1.59 -0.55 0.00 0.00 175.29 174.53 2nuu s LYS 40 N -0.41 0.70 0.53 1.67 -2.85 -1.26 -4.76 119.74 113.36 2nuu s LYS 40 Ca 0.16 -1.21 -0.21 0.00 -1.00 0.00 0.00 55.97 53.71 2nuu s LYS 40 Cb -0.13 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.82 2nuu s LYS 40 CO 0.05 -0.16 1.27 0.20 0.10 0.00 0.00 175.35 176.82 2nuu s GLY 41 N -2.93 2.83 0.72 0.59 0.00 -0.78 -4.93 107.32 102.82 2nuu s GLY 41 Ca 0.09 1.16 -0.15 0.00 0.00 0.00 0.00 44.72 45.82 2nuu s GLY 41 CO -0.08 1.63 1.17 0.30 0.00 0.00 0.00 173.10 176.12 2nuu s HIS 42 N -1.43 2.20 0.48 1.90 3.76 -1.26 -3.41 115.29 117.53 2nuu s HIS 42 Ca 0.70 1.60 -0.23 0.00 -0.15 0.00 0.00 55.06 56.99 2nuu s HIS 42 Cb -0.35 -3.37 -0.09 0.00 1.11 0.00 0.00 32.58 29.88 2nuu s HIS 42 CO 0.41 -2.34 1.05 0.00 -0.85 0.00 0.00 174.74 173.01 2nuu n ALA 43 N -2.74 0.43 -2.74 -1.40 0.00 -1.24 -4.51 120.51 108.31 2nuu n ALA 43 Ca 0.12 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 2nuu n ALA 43 Cb 0.51 -2.13 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 2nuu n ALA 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2nuu s GLU 44 N -2.29 2.39 -0.07 0.00 2.02 0.42 -4.98 118.70 116.18 2nuu s GLU 44 Ca 0.67 -0.85 0.04 0.00 0.02 0.00 0.00 54.97 54.84 2nuu s GLU 44 Cb -0.50 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2nuu s GLU 44 CO 0.54 0.37 -0.19 -1.17 0.02 0.00 0.00 175.26 174.82 2nuu s LEU 45 N -0.16 1.93 -0.32 1.80 2.96 -1.26 -0.58 118.68 123.06 2nuu s LEU 45 Ca -0.03 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2nuu s LEU 45 Cb -0.13 -1.15 0.12 0.00 0.50 0.00 0.00 46.19 45.53 2nuu s LEU 45 CO 0.03 0.13 0.17 -0.31 -1.32 0.00 0.00 176.35 175.06 2nuu s TYR 46 N 0.30 0.43 0.00 5.38 2.02 0.16 -5.03 117.35 120.60 2nuu s TYR 46 Ca -0.12 -1.15 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 2nuu s TYR 46 Cb -0.15 -0.87 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 2nuu s TYR 46 CO 0.05 -0.84 0.00 0.54 -1.57 0.00 0.00 175.55 173.74 2nuu n ARG 47 N 4.74 0.00 0.10 -0.62 1.74 -1.26 -0.51 116.66 120.86 2nuu n ARG 47 Ca 0.02 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.93 2nuu n ARG 47 Cb 0.40 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.70 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 0.34 -4.30 -0.13 0.00 -2.03 -3.46 103.07 93.50 2nuu h GLY 48 Ca 0.00 -0.88 -0.53 0.00 0.00 0.00 0.00 47.33 45.92 2nuu h GLY 48 CO 0.00 0.77 0.73 0.00 0.00 0.00 0.00 176.54 178.04 2nuu s ALA 49 N -2.64 3.60 -0.11 3.60 0.00 0.34 -5.02 121.76 121.52 2nuu s ALA 49 Ca -0.05 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 2nuu s ALA 49 Cb 0.07 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2nuu s ALA 49 CO 0.89 -0.66 0.01 -1.83 0.00 0.00 0.00 175.76 174.17 2nuu s GLU 50 N -0.04 0.60 -0.44 0.00 -1.05 -1.26 -0.67 118.70 115.84 2nuu s GLU 50 Ca 0.60 -0.05 -0.02 0.00 -0.15 0.00 0.00 54.97 55.36 2nuu s GLU 50 Cb -0.40 -1.33 0.12 0.00 -0.44 0.00 0.00 34.13 32.08 2nuu s GLU 50 CO 0.39 -0.41 0.23 0.71 0.95 0.00 0.00 175.26 177.13 2nuu s TYR 51 N 1.95 3.56 0.44 4.83 2.02 0.26 -4.97 117.35 125.44 2nuu s TYR 51 Ca 0.03 -2.59 0.23 0.00 -0.37 0.00 0.00 57.07 54.37 2nuu s TYR 51 Cb -0.14 -3.16 1.34 0.00 -0.40 0.00 0.00 41.96 39.60 2nuu s TYR 51 CO -0.06 -0.94 2.06 0.66 -1.57 0.00 0.00 175.55 175.70 2nuu h SER 52 N 7.73 0.00 -3.55 2.29 4.64 -1.93 0.12 113.55 122.85 2nuu h SER 52 Ca -0.09 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.55 2nuu h SER 52 Cb 1.02 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.80 2nuu h SER 52 CO 0.68 0.13 -0.85 -0.69 -0.87 0.00 0.00 176.83 175.23 2nuu s VAL 53 N -4.38 2.34 0.23 0.95 1.01 -1.26 -3.66 120.40 115.63 2nuu s VAL 53 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2nuu s VAL 53 Cb 0.14 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2nuu s VAL 53 CO 0.62 0.56 0.08 0.20 0.00 0.00 0.00 175.10 176.55 2nuu s ASN 54 N 0.15 1.13 0.49 3.32 0.01 -1.22 -4.96 114.94 113.86 2nuu s ASN 54 Ca -0.12 -1.33 -0.08 0.00 -0.71 0.00 0.00 52.86 50.62 2nuu s ASN 54 Cb -0.16 0.16 -0.05 0.00 0.41 0.00 0.00 41.25 41.62 2nuu s ASN 54 CO 0.06 -0.70 0.83 -0.36 -1.51 0.00 0.00 177.10 175.42 2nuu s PHE 55 N -3.76 3.55 -0.08 2.20 0.08 -1.26 -1.86 117.98 116.85 2nuu s PHE 55 Ca 0.35 0.98 0.03 0.00 0.12 0.00 0.00 56.93 58.41 2nuu s PHE 55 Cb 0.07 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 2nuu s PHE 55 CO 0.11 -0.30 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.57 2nuu s LEU 56 N -4.55 1.90 0.20 -0.37 2.96 -0.20 -4.45 118.68 114.17 2nuu s LEU 56 Ca 0.50 -0.44 -0.32 0.00 -0.22 0.00 0.00 54.13 53.65 2nuu s LEU 56 Cb -0.10 -1.15 -0.12 0.00 0.50 0.00 0.00 46.19 45.32 2nuu s LEU 56 CO 0.42 0.11 1.72 -0.81 -1.32 0.00 0.00 176.35 176.48 2nuu n PRO 57 N 3.60 2.75 -4.30 0.98 -0.04 -1.26 -0.79 135.00 135.93 2nuu n PRO 57 Ca -0.20 0.99 -0.18 0.00 -0.04 0.00 0.00 63.50 64.07 2nuu n PRO 57 Cb 0.52 -2.84 -0.09 0.00 -0.04 0.00 0.00 33.50 31.06 2nuu n PRO 57 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2nuu s LYS 58 N 1.26 1.55 -0.06 0.54 -0.14 -0.41 -4.54 119.74 117.93 2nuu s LYS 58 Ca 0.76 -1.88 0.02 0.00 -1.36 0.00 0.00 55.97 53.51 2nuu s LYS 58 Cb -0.51 0.06 0.01 0.00 -1.68 0.00 0.00 37.83 35.71 2nuu s LYS 58 CO 0.33 -0.48 -0.11 0.08 -0.76 0.00 0.00 175.35 174.41 2nuu s VAL 59 N -3.68 1.05 -0.25 3.17 1.01 0.17 -2.21 120.40 119.66 2nuu s VAL 59 Ca 0.37 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 2nuu s VAL 59 Cb 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2nuu s VAL 59 CO 0.18 0.34 0.09 -0.75 0.00 0.00 0.00 175.10 174.96 2nuu s LYS 60 N 0.75 3.72 -0.14 2.72 2.20 -0.46 -0.81 119.74 127.72 2nuu s LYS 60 Ca -0.13 -0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2nuu s LYS 60 Cb -0.15 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2nuu s LYS 60 CO 0.03 -0.15 -0.01 0.42 -0.36 0.00 0.00 175.35 175.28 2nuu s ILE 61 N 1.54 4.19 -0.15 5.43 1.01 0.90 -0.84 121.20 133.28 2nuu s ILE 61 Ca 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2nuu s ILE 61 Cb -0.15 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.52 2nuu s ILE 61 CO 0.05 0.53 -0.20 -1.81 0.00 0.00 0.00 174.94 173.50 2nuu s ASP 62 N -0.06 3.04 -0.02 3.58 1.01 0.46 -0.36 116.67 124.31 2nuu s ASP 62 Ca 0.03 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2nuu s ASP 62 Cb -0.13 -1.41 0.03 0.00 1.01 0.00 0.00 42.92 42.42 2nuu s ASP 62 CO 0.02 0.04 0.02 0.54 0.21 0.00 0.00 175.17 176.00 2nuu s VAL 63 N 1.05 0.01 -0.20 -1.27 0.11 -0.86 -1.43 120.40 117.82 2nuu s VAL 63 Ca -0.02 0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 2nuu s VAL 63 Cb -0.14 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 2nuu s VAL 63 CO -0.07 0.11 0.35 0.00 -3.33 0.00 0.00 175.10 172.16 2nuu s ALA 64 N 1.06 3.57 0.12 1.54 0.00 -1.26 -1.37 121.76 125.41 2nuu s ALA 64 Ca -0.09 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2nuu s ALA 64 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 2nuu s ALA 64 CO -0.03 -0.21 0.08 0.44 0.00 0.00 0.00 175.76 176.05 2nuu n ILE 65 N 4.18 0.00 -3.77 0.00 -5.35 -0.18 -5.00 119.36 109.25 2nuu n ILE 65 Ca -0.10 -0.82 -0.22 0.00 -0.27 0.00 0.00 62.75 61.35 2nuu n ILE 65 Cb 0.51 0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 38.78 2nuu n ILE 65 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2nuu s ALA 66 N -2.44 3.89 0.18 -1.28 0.00 -1.26 -1.91 121.76 118.94 2nuu s ALA 66 Ca 0.12 -1.16 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 2nuu s ALA 66 Cb 0.01 -1.83 0.14 0.00 0.00 0.00 0.00 23.12 21.43 2nuu s ALA 66 CO 0.08 0.14 1.80 -0.44 0.00 0.00 0.00 175.76 177.35 2nuu h ASP 67 N 1.03 0.44 0.19 0.00 5.19 -1.93 -2.13 116.42 119.21 2nuu h ASP 67 Ca -0.51 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.88 2nuu h ASP 67 Cb 1.23 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 2nuu h ASP 67 CO 0.60 0.30 -0.19 -2.24 -3.12 0.00 0.00 179.24 174.59 2nuu h ASP 68 N 0.57 0.01 1.04 6.45 2.03 -2.03 -2.78 116.42 121.71 2nuu h ASP 68 Ca 0.23 -0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.44 2nuu h ASP 68 Cb 0.10 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 2nuu h ASP 68 CO -0.14 0.20 -0.41 1.56 -1.03 0.00 0.00 179.24 179.43 2nuu h GLN 69 N 0.01 0.00 -0.89 4.15 4.20 -1.80 -3.35 115.11 117.44 2nuu h GLN 69 Ca -0.00 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.94 2nuu h GLN 69 Cb 0.35 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.00 2nuu h GLN 69 CO 0.03 0.41 0.32 1.25 -0.67 0.00 0.00 178.83 180.16 2nuu h LEU 70 N 0.00 0.17 -0.30 1.46 6.46 -1.19 -1.23 115.31 120.68 2nuu h LEU 70 Ca -0.00 0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2nuu h LEU 70 Cb 1.04 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.15 2nuu h LEU 70 CO 0.05 -0.09 0.19 0.44 -0.62 0.00 0.00 178.44 178.41 2nuu h ASP 71 N 0.29 0.31 -0.04 1.25 5.19 -1.78 -2.71 116.42 118.94 2nuu h ASP 71 Ca 0.56 -0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.80 2nuu h ASP 71 Cb 1.12 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 40.57 2nuu h ASP 71 CO -0.60 0.23 -0.62 -0.08 -3.12 0.00 0.00 179.24 175.05 2nuu h GLU 72 N 0.38 0.50 -0.61 3.56 4.81 -1.67 -3.19 114.58 118.37 2nuu h GLU 72 Ca 0.11 -0.48 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 2nuu h GLU 72 Cb -0.02 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 2nuu h GLU 72 CO -0.04 1.11 0.33 0.28 -0.73 0.00 0.00 179.01 179.97 2nuu h VAL 73 N 0.06 0.97 -0.20 0.32 2.07 -1.26 0.65 116.25 118.85 2nuu h VAL 73 Ca -0.06 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2nuu h VAL 73 Cb 1.30 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2nuu h VAL 73 CO 0.12 0.11 0.10 0.40 0.02 0.00 0.00 177.57 178.32 2nuu h ILE 74 N 0.63 1.14 -0.41 4.57 2.04 -1.59 -1.91 117.51 121.97 2nuu h ILE 74 Ca 0.27 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2nuu h ILE 74 Cb 0.15 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2nuu h ILE 74 CO -0.17 0.13 -0.04 -0.78 0.00 0.00 0.00 178.15 177.30 2nuu h ASP 75 N 0.20 0.65 0.05 1.72 3.58 -1.46 -1.48 116.42 119.68 2nuu h ASP 75 Ca 0.07 -0.16 -0.23 0.00 0.42 0.00 0.00 57.03 57.13 2nuu h ASP 75 Cb 0.13 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.01 2nuu h ASP 75 CO -0.01 0.74 -0.88 -0.29 -2.88 0.00 0.00 179.24 175.92 2nuu h ILE 76 N 0.63 1.31 0.04 2.25 2.10 -0.77 -3.18 117.51 119.90 2nuu h ILE 76 Ca 0.12 -2.17 -0.23 0.00 1.08 0.00 0.00 64.86 63.67 2nuu h ILE 76 Cb 0.45 2.20 -0.00 0.00 -1.09 0.00 0.00 36.82 38.38 2nuu h ILE 76 CO 0.02 0.67 -1.02 0.58 -1.08 0.00 0.00 178.15 177.33 2nuu h VAL 77 N 0.40 1.49 -0.72 2.19 2.07 -1.34 -2.64 116.25 117.71 2nuu h VAL 77 Ca -0.08 -2.77 0.02 0.00 0.82 0.00 0.00 66.70 64.69 2nuu h VAL 77 Cb 1.51 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 33.87 2nuu h VAL 77 CO 0.17 0.81 0.46 -1.28 0.02 0.00 0.00 177.57 177.75 2nuu h SER 78 N 0.12 0.77 0.02 0.57 0.87 -1.34 -1.15 113.55 113.40 2nuu h SER 78 Ca -0.08 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 2nuu h SER 78 Cb 1.69 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2nuu h SER 78 CO 0.16 0.54 -0.16 0.11 -0.53 0.00 0.00 176.83 176.96 2nuu h LYS 79 N 0.91 0.07 -0.31 2.24 1.57 -1.63 -3.10 116.57 116.32 2nuu h LYS 79 Ca 0.28 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 2nuu h LYS 79 Cb -0.03 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2nuu h LYS 79 CO -0.09 0.99 0.21 0.00 -0.57 0.00 0.00 179.45 179.99 2nuu h ALA 80 N 0.09 2.09 -0.02 3.86 0.00 -1.44 -2.04 119.26 121.80 2nuu h ALA 80 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2nuu h ALA 80 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2nuu h ALA 80 CO 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 179.25 179.04 2nuu n ALA 81 N -2.55 2.66 -1.75 0.00 0.00 -0.44 -4.51 120.51 113.92 2nuu n ALA 81 Ca 0.04 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 2nuu n ALA 81 Cb 0.27 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.09 3.79 0.00 0.00 5.04 -0.77 -4.90 117.35 118.43 2nuu s TYR 82 Ca 0.29 1.81 0.00 0.00 -2.44 0.00 0.00 57.07 56.73 2nuu s TYR 82 Cb 0.20 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.39 2nuu s TYR 82 CO 0.35 -0.02 0.00 0.25 -1.34 0.00 0.00 175.55 174.80 2nuu n THR 83 N 1.32 0.00 0.00 4.34 -2.24 -1.26 -5.03 114.28 111.41 2nuu n THR 83 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2nuu n THR 83 Cb 0.46 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.27 3.07 3.67 3.38 0.00 -1.26 -5.05 105.19 109.26 2nuu n GLY 84 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 0.96 0.17 1.61 -0.14 -1.26 -4.97 119.74 116.11 2nuu s LYS 85 Ca 0.00 1.26 -0.30 0.00 -1.36 0.00 0.00 55.97 55.57 2nuu s LYS 85 Cb 0.00 -1.74 -0.08 0.00 -1.68 0.00 0.00 37.83 34.33 2nuu s LYS 85 CO 0.00 -2.57 1.24 0.42 -0.76 0.00 0.00 175.35 173.67 2nuu s ILE 86 N -2.71 3.52 0.00 2.17 1.01 -1.26 -3.49 121.20 120.44 2nuu s ILE 86 Ca 0.65 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2nuu s ILE 86 Cb -0.21 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2nuu s ILE 86 CO 0.59 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.31 2nuu n GLY 87 N 2.44 1.11 0.37 6.18 0.00 -1.26 -4.82 105.19 109.21 2nuu n GLY 87 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.01 -4.54 1.61 3.32 -1.93 -3.40 116.42 112.49 2nuu h ASP 88 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2nuu h ASP 88 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2nuu h ASP 88 CO 0.00 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 2nuu n GLY 89 N -1.40 1.24 3.13 2.75 0.00 -1.26 -3.77 105.19 105.89 2nuu n GLY 89 Ca 0.11 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 2nuu n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 90 N -1.15 0.72 -0.18 1.61 1.02 -0.97 -5.00 119.74 115.78 2nuu s LYS 90 Ca 0.00 -1.08 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 2nuu s LYS 90 Cb 0.00 -0.30 -0.00 0.00 -0.52 0.00 0.00 37.83 37.01 2nuu s LYS 90 CO 0.00 0.03 -0.11 0.42 -0.92 0.00 0.00 175.35 174.76 2nuu s ILE 91 N -2.55 2.95 -0.10 2.17 1.01 -1.26 -2.30 121.20 121.12 2nuu s ILE 91 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2nuu s ILE 91 Cb -0.02 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 2nuu s ILE 91 CO -0.02 0.49 -0.10 -0.36 0.00 0.00 0.00 174.94 174.95 2nuu s PHE 92 N 1.01 2.87 -0.04 3.97 0.08 0.35 -5.00 117.98 121.23 2nuu s PHE 92 Ca -0.01 -0.29 0.04 0.00 0.12 0.00 0.00 56.93 56.80 2nuu s PHE 92 Cb -0.15 -1.79 -0.00 0.00 -0.57 0.00 0.00 43.02 40.51 2nuu s PHE 92 CO -0.02 0.06 -0.16 0.08 -0.10 0.00 0.00 175.22 175.08 2nuu s VAL 93 N -0.19 1.36 0.00 -0.44 1.01 -1.26 -0.19 120.40 120.69 2nuu s VAL 93 Ca 0.01 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2nuu s VAL 93 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2nuu s VAL 93 CO 0.03 0.39 0.17 0.00 0.00 0.00 0.00 175.10 175.69 2nuu s ALA 94 N 0.01 -0.40 -0.00 5.51 0.00 -0.84 -5.03 121.76 121.02 2nuu s ALA 94 Ca -0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 2nuu s ALA 94 Cb -0.11 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2nuu s ALA 94 CO 0.02 -0.23 1.24 -2.00 0.00 0.00 0.00 175.76 174.79 2nuu s GLU 95 N -1.52 4.37 -0.17 0.00 2.56 -1.26 -1.47 118.70 121.20 2nuu s GLU 95 Ca -0.14 1.77 -0.08 0.00 0.00 0.00 0.00 54.97 56.53 2nuu s GLU 95 Cb -0.06 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.54 2nuu s GLU 95 CO 0.01 -0.40 0.10 -1.17 -0.56 0.00 0.00 175.26 173.24 2nuu s LEU 96 N 1.82 4.06 0.00 2.70 0.20 -0.48 -4.87 118.68 122.11 2nuu s LEU 96 Ca 0.59 0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.63 2nuu s LEU 96 Cb -0.28 -2.02 0.00 0.00 -0.43 0.00 0.00 46.19 43.46 2nuu s LEU 96 CO 0.25 0.24 0.00 1.67 -0.29 0.00 0.00 176.35 178.23 2nuu n GLN 97 N 3.08 0.00 -4.51 1.98 -0.06 -1.26 -4.07 117.38 112.54 2nuu n GLN 97 Ca -0.17 0.39 -0.21 0.00 -2.00 0.00 0.00 57.00 55.01 2nuu n GLN 97 Cb 0.53 -0.88 -0.15 0.00 -4.06 0.00 0.00 30.24 25.68 2nuu n GLN 97 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2nuu s ARG 98 N -0.86 1.00 -0.12 3.69 3.52 -1.26 -4.80 118.95 120.11 2nuu s ARG 98 Ca 0.00 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2nuu s ARG 98 Cb 0.00 -0.95 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 2nuu s ARG 98 CO 0.00 0.22 -0.22 0.08 -0.81 0.00 0.00 175.30 174.57 2nuu s VAL 99 N -0.15 2.15 -0.08 7.11 1.01 -1.26 -5.00 120.40 124.17 2nuu s VAL 99 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2nuu s VAL 99 Cb -0.06 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2nuu s VAL 99 CO -0.00 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.86 2nuu s ILE 100 N 0.61 1.42 -0.32 2.22 1.01 -1.26 -1.59 121.20 123.28 2nuu s ILE 100 Ca -0.12 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.67 2nuu s ILE 100 Cb -0.17 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2nuu s ILE 100 CO 0.03 0.42 0.73 -0.60 0.00 0.00 0.00 174.94 175.52 2nuu s ARG 101 N 0.63 3.88 0.20 2.79 3.52 -0.89 -4.96 118.95 124.12 2nuu s ARG 101 Ca -0.15 0.41 -0.11 0.00 -0.13 0.00 0.00 55.73 55.75 2nuu s ARG 101 Cb -0.16 -3.75 0.20 0.00 -1.56 0.00 0.00 34.95 29.67 2nuu s ARG 101 CO 0.04 -0.69 1.80 0.82 -0.81 0.00 0.00 175.30 176.46 2nuu h ILE 102 N 5.63 0.97 -0.56 4.11 2.04 -1.95 0.13 117.51 127.87 2nuu h ILE 102 Ca -0.25 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.49 2nuu h ILE 102 Cb 1.10 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 2nuu h ILE 102 CO 0.86 0.11 0.17 -0.09 0.00 0.00 0.00 178.15 179.21 2nuu h ARG 103 N 0.62 0.33 0.00 2.37 2.43 -2.00 -3.35 114.38 114.78 2nuu h ARG 103 Ca 0.27 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.26 2nuu h ARG 103 Cb 0.16 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2nuu h ARG 103 CO -0.17 0.22 -1.60 0.25 -1.51 0.00 0.00 179.97 177.16 2nuu n THR 104 N -5.04 0.60 0.00 0.20 -2.24 -1.20 -5.03 114.28 101.57 2nuu n THR 104 Ca 0.07 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2nuu n THR 104 Cb 0.26 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 2.59 0.76 3.62 3.38 0.00 0.46 -5.07 105.19 110.94 2nuu n GLY 105 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2nuu n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nuu n GLU 106 N -1.61 0.63 -4.08 1.61 1.02 -1.24 -4.71 120.64 112.26 2nuu n GLU 106 Ca 0.00 0.27 -0.23 0.00 -0.02 0.00 0.00 57.16 57.17 2nuu n GLU 106 Cb 0.00 -2.23 -0.06 0.00 -0.02 0.00 0.00 31.44 29.12 2nuu n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nuu s ALA 107 N -1.72 3.55 0.00 0.62 0.00 -1.26 -2.09 121.76 120.86 2nuu s ALA 107 Ca 0.75 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2nuu s ALA 107 Cb -0.36 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2nuu s ALA 107 CO 0.49 -0.04 0.00 -0.25 0.00 0.00 0.00 175.76 175.96 2nuu n ASP 108 N -1.19 0.00 -0.11 0.00 8.00 -0.62 -0.81 116.55 121.81 2nuu n ASP 108 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 2nuu n ASP 108 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 2nuu n ASP 108 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2nuu h GLU 109 N 0.00 0.57 0.00 -1.24 3.07 -1.96 -3.07 114.58 111.95 2nuu h GLU 109 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2nuu h GLU 109 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2nuu h GLU 109 CO 0.00 0.69 0.00 0.00 -1.40 0.00 0.00 179.01 178.30 2nuu n ALA 110 N -2.37 2.01 0.16 3.43 0.00 0.01 -3.53 120.51 120.22 2nuu n ALA 110 Ca -0.02 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2nuu n ALA 110 Cb 0.26 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.43 2nuu n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nuu h ALA 111 N 2.80 0.75 0.00 0.00 0.00 -1.28 -3.44 119.26 118.08 2nuu h ALA 111 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2nuu h ALA 111 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2nuu h ALA 111 CO 0.00 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.02