#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 0.66 -0.20 0.03 3.01 -0.29 -2.15 119.74 120.81 2nuu s LYS 2 Ca 0.00 -0.95 -0.04 0.00 -1.01 0.00 0.00 55.97 53.97 2nuu s LYS 2 Cb 0.00 -0.37 -0.02 0.00 -1.01 0.00 0.00 37.83 36.44 2nuu s LYS 2 CO 0.00 0.06 -0.03 -1.17 0.51 0.00 0.00 175.35 174.71 2nuu s LEU 3 N -2.01 3.06 -0.31 3.17 2.96 -0.22 -1.20 118.68 124.13 2nuu s LEU 3 Ca -0.03 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2nuu s LEU 3 Cb -0.06 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.92 2nuu s LEU 3 CO -0.00 0.04 0.03 -0.69 -1.32 0.00 0.00 176.35 174.41 2nuu s VAL 4 N 1.11 3.02 -0.22 1.68 1.01 -0.63 -1.54 120.40 124.83 2nuu s VAL 4 Ca 0.02 -1.48 -0.10 0.00 0.00 0.00 0.00 61.98 60.41 2nuu s VAL 4 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2nuu s VAL 4 CO 0.00 -0.19 0.15 -0.89 0.00 0.00 0.00 175.10 174.17 2nuu s THR 5 N 1.23 5.37 -0.17 3.92 2.01 0.16 -2.25 115.64 125.92 2nuu s THR 5 Ca -0.03 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2nuu s THR 5 Cb -0.20 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2nuu s THR 5 CO -0.02 0.38 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.44 2nuu s VAL 6 N 0.77 1.83 -0.34 3.82 1.01 0.18 -0.21 120.40 127.47 2nuu s VAL 6 Ca 0.08 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2nuu s VAL 6 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2nuu s VAL 6 CO 0.02 0.49 0.22 -0.63 0.00 0.00 0.00 175.10 175.20 2nuu s ILE 7 N 1.38 5.04 0.30 2.22 1.01 -0.45 -0.35 121.20 130.35 2nuu s ILE 7 Ca 0.05 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2nuu s ILE 7 Cb -0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2nuu s ILE 7 CO -0.12 -0.04 0.11 0.27 0.00 0.00 0.00 174.94 175.16 2nuu s ILE 8 N 1.68 0.59 0.20 2.92 -4.36 0.37 -1.95 121.20 120.65 2nuu s ILE 8 Ca 0.05 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.14 2nuu s ILE 8 Cb -0.18 -2.60 -0.08 0.00 1.25 0.00 0.00 42.46 40.86 2nuu s ILE 8 CO 0.09 0.00 1.19 -0.54 0.24 0.00 0.00 174.94 175.92 2nuu s LYS 9 N -3.92 4.51 0.22 0.37 1.02 -1.26 -0.54 119.74 120.15 2nuu s LYS 9 Ca 0.36 1.87 -0.11 0.00 0.02 0.00 0.00 55.97 58.11 2nuu s LYS 9 Cb 0.07 -3.23 0.31 0.00 -0.52 0.00 0.00 37.83 34.46 2nuu s LYS 9 CO 0.15 -0.06 1.64 -1.35 -0.92 0.00 0.00 175.35 174.81 2nuu h PRO 10 N 5.05 0.06 0.00 -1.68 0.11 -1.89 0.58 132.00 134.23 2nuu h PRO 10 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2nuu h PRO 10 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2nuu h PRO 10 CO 0.73 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.84 2nuu h PHE 11 N 0.07 0.00 -0.00 0.65 -0.00 -1.98 -2.35 116.94 113.33 2nuu h PHE 11 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.31 2nuu h PHE 11 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.51 2nuu h PHE 11 CO -0.44 0.00 -0.04 1.63 -0.00 0.00 0.00 178.31 179.46 2nuu n LYS 12 N -2.86 1.02 -0.11 6.09 4.76 0.19 -4.19 118.16 123.07 2nuu n LYS 12 Ca -0.02 -0.32 -0.08 0.00 -2.87 0.00 0.00 58.31 55.03 2nuu n LYS 12 Cb 0.12 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 0.77 0.34 -1.18 -0.35 6.46 -1.50 -2.11 115.31 117.75 2nuu h LEU 13 Ca 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 2nuu h LEU 13 Cb 0.26 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2nuu h LEU 13 CO 0.00 0.25 -0.15 -0.08 -0.62 0.00 0.00 178.44 177.84 2nuu h GLU 14 N 0.43 0.39 -0.34 1.25 4.57 -1.83 0.80 114.58 119.85 2nuu h GLU 14 Ca 0.14 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 2nuu h GLU 14 Cb 0.00 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2nuu h GLU 14 CO -0.07 0.54 -0.30 -0.44 -1.18 0.00 0.00 179.01 177.56 2nuu h ASP 15 N 0.36 0.74 -0.14 1.04 3.45 -1.75 -0.72 116.42 119.40 2nuu h ASP 15 Ca 0.07 -0.29 -0.23 0.00 0.43 0.00 0.00 57.03 57.01 2nuu h ASP 15 Cb 0.48 -0.21 0.01 0.00 -0.56 0.00 0.00 39.33 39.06 2nuu h ASP 15 CO 0.03 0.99 -0.81 0.58 -1.57 0.00 0.00 179.24 178.46 2nuu h VAL 16 N 0.61 1.28 -0.46 -1.35 2.07 -0.98 -0.78 116.25 116.64 2nuu h VAL 16 Ca 0.07 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.54 2nuu h VAL 16 Cb 0.81 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2nuu h VAL 16 CO 0.07 0.63 0.09 -0.09 0.02 0.00 0.00 177.57 178.29 2nuu h ARG 17 N 0.52 0.75 -0.43 1.57 2.43 -0.74 0.91 114.38 119.39 2nuu h ARG 17 Ca -0.06 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 2nuu h ARG 17 Cb 1.44 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 2nuu h ARG 17 CO 0.17 0.76 0.05 0.93 -1.51 0.00 0.00 179.97 180.37 2nuu h GLU 18 N 0.62 0.72 -0.68 0.20 5.08 -1.14 -2.71 114.58 116.68 2nuu h GLU 18 Ca 0.14 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2nuu h GLU 18 Cb 0.36 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2nuu h GLU 18 CO 0.01 0.76 0.34 0.00 -1.00 0.00 0.00 179.01 179.12 2nuu h ALA 19 N 0.93 0.88 -0.70 3.43 0.00 -0.90 -2.58 119.26 120.31 2nuu h ALA 19 Ca 0.13 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2nuu h ALA 19 Cb 0.40 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2nuu h ALA 19 CO 0.01 0.44 0.46 -0.07 0.00 0.00 0.00 179.25 180.09 2nuu h LEU 20 N 0.95 0.68 -0.79 0.00 4.07 -0.64 -2.32 115.31 117.25 2nuu h LEU 20 Ca 0.24 -0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.25 2nuu h LEU 20 Cb 0.11 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.64 2nuu h LEU 20 CO -0.03 0.45 0.48 0.28 -1.08 0.00 0.00 178.44 178.54 2nuu h SER 21 N 0.78 0.75 -1.02 -0.43 0.02 -1.14 -1.93 113.55 110.58 2nuu h SER 21 Ca 0.29 0.02 0.25 0.00 -0.84 0.00 0.00 61.79 61.51 2nuu h SER 21 Cb 0.16 -0.14 -0.10 0.00 0.14 0.00 0.00 62.40 62.47 2nuu h SER 21 CO -0.09 0.48 0.64 0.28 -1.14 0.00 0.00 176.83 177.00 2nuu h SER 22 N 0.88 0.55 -0.63 3.07 0.02 -1.38 0.12 113.55 116.18 2nuu h SER 22 Ca 0.35 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2nuu h SER 22 Cb 0.17 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2nuu h SER 22 CO -0.17 0.12 0.00 2.30 -1.14 0.00 0.00 176.83 177.94 2nuu n ILE 23 N -4.71 2.06 -0.88 3.27 -5.35 -1.02 -4.94 119.36 107.79 2nuu n ILE 23 Ca 0.25 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 2nuu n ILE 23 Cb 0.79 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.01 0.48 3.30 3.28 0.00 0.42 -5.04 105.19 108.63 2nuu n GLY 24 Ca 0.26 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 4.74 -0.17 -0.61 1.01 -0.76 -4.89 121.20 118.51 2nuu s ILE 25 Ca 0.00 -1.42 0.14 0.00 0.00 0.00 0.00 60.65 59.37 2nuu s ILE 25 Cb 0.00 -3.96 -0.24 0.00 0.01 0.00 0.00 42.46 38.27 2nuu s ILE 25 CO 0.00 -0.68 0.16 0.00 0.00 0.00 0.00 174.94 174.42 2nuu n GLN 26 N 5.07 0.68 -3.50 2.79 1.13 -1.26 -3.31 117.38 118.98 2nuu n GLN 26 Ca -0.11 0.07 -0.37 0.00 -1.94 0.00 0.00 57.00 54.65 2nuu n GLN 26 Cb 0.42 -1.58 -0.06 0.00 0.11 0.00 0.00 30.24 29.13 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 -5.54 2.33 0.06 1.08 0.00 -1.26 -5.06 107.32 98.93 2nuu s GLY 27 Ca -0.12 -0.34 -0.26 0.00 0.00 0.00 0.00 44.72 44.00 2nuu s GLY 27 CO 0.80 0.37 0.74 0.48 0.00 0.00 0.00 173.10 175.49 2nuu s LEU 28 N -0.06 -0.49 -0.11 0.66 2.34 -1.26 -4.79 118.68 114.97 2nuu s LEU 28 Ca 0.21 0.11 0.03 0.00 0.06 0.00 0.00 54.13 54.53 2nuu s LEU 28 Cb -0.14 2.34 -0.00 0.00 -0.56 0.00 0.00 46.19 47.82 2nuu s LEU 28 CO 0.08 -0.76 -0.22 -0.89 -1.06 0.00 0.00 176.35 173.50 2nuu s THR 29 N -3.06 2.24 -0.08 5.48 2.01 -0.36 -5.00 115.64 116.88 2nuu s THR 29 Ca 0.01 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2nuu s THR 29 Cb -0.01 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 2nuu s THR 29 CO -0.08 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 2nuu s VAL 30 N 0.40 2.90 0.02 3.82 1.01 -1.26 0.18 120.40 127.47 2nuu s VAL 30 Ca -0.16 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.13 2nuu s VAL 30 Cb -0.17 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2nuu s VAL 30 CO 0.07 0.57 -0.22 -0.89 0.00 0.00 0.00 175.10 174.63 2nuu s THR 31 N -0.31 1.72 -0.36 3.92 2.01 0.08 -5.01 115.64 117.69 2nuu s THR 31 Ca 0.02 -1.11 -0.16 0.00 0.31 0.00 0.00 61.69 60.75 2nuu s THR 31 Cb -0.13 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 2nuu s THR 31 CO 0.03 0.32 0.41 -0.70 -0.69 0.00 0.00 174.62 173.99 2nuu s GLU 32 N -0.93 3.51 0.50 4.92 2.12 -1.26 -1.24 118.70 126.31 2nuu s GLU 32 Ca 0.08 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.04 2nuu s GLU 32 Cb -0.09 -3.83 -0.02 0.00 0.26 0.00 0.00 34.13 30.46 2nuu s GLU 32 CO 0.01 -0.61 0.04 0.14 -0.54 0.00 0.00 175.26 174.30 2nuu s VAL 33 N 2.14 1.33 -0.10 3.70 -7.23 -0.85 -4.99 120.40 114.40 2nuu s VAL 33 Ca 0.14 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 2nuu s VAL 33 Cb -0.16 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.51 2nuu s VAL 33 CO 0.12 0.00 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.20 2nuu s LYS 34 N -3.89 2.37 0.23 4.82 1.02 -1.26 -1.93 119.74 121.09 2nuu s LYS 34 Ca 0.12 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.58 2nuu s LYS 34 Cb 0.02 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 2nuu s LYS 34 CO 0.07 0.02 -0.18 0.20 -0.92 0.00 0.00 175.35 174.54 2nuu s GLY 35 N 0.74 1.64 0.04 -3.33 0.00 0.65 -4.85 107.32 102.20 2nuu s GLY 35 Ca -0.12 -1.73 -0.00 0.00 0.00 0.00 0.00 44.72 42.87 2nuu s GLY 35 CO 0.02 -1.82 -0.04 -0.12 0.00 0.00 0.00 173.10 171.15 2nuu s PHE 36 N -2.59 0.43 -0.03 1.90 5.36 -1.26 -0.72 117.98 121.06 2nuu s PHE 36 Ca 0.25 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 2nuu s PHE 36 Cb -0.04 -0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.34 2nuu s PHE 36 CO 0.10 -0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.03 2nuu n GLY 37 N 0.97 -0.56 0.29 13.12 0.00 -1.26 -4.95 105.19 112.80 2nuu n GLY 37 Ca -0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 0.89 -5.94 1.61 3.08 -2.00 -3.35 114.38 108.67 2nuu h ARG 38 Ca 0.00 -0.05 -0.60 0.00 0.07 0.00 0.00 59.98 59.39 2nuu h ARG 38 Cb 0.00 -0.20 -0.10 0.00 0.08 0.00 0.00 29.97 29.75 2nuu h ARG 38 CO 0.00 0.59 0.49 -1.14 -1.07 0.00 0.00 179.97 178.83 2nuu s GLN 39 N -6.10 3.78 -0.10 0.04 0.74 -1.26 -4.95 119.66 111.81 2nuu s GLN 39 Ca -0.13 0.42 0.04 0.00 0.05 0.00 0.00 55.36 55.75 2nuu s GLN 39 Cb 0.16 -3.81 -0.24 0.00 1.10 0.00 0.00 33.01 30.22 2nuu s GLN 39 CO 0.78 -0.91 0.46 1.63 -0.55 0.00 0.00 175.29 176.69 2nuu n LYS 40 N 6.62 0.69 0.00 1.67 5.02 -1.26 -4.75 118.16 126.14 2nuu n LYS 40 Ca 0.05 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2nuu n LYS 40 Cb 0.48 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.79 -2.43 2.44 0.72 0.00 -1.26 -4.48 105.19 101.96 2nuu n GLY 41 Ca -0.26 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 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 0.01 -1.49 -2.71 1.61 8.25 -1.26 -4.43 115.22 115.20 2nuu n HIS 42 Ca 0.00 0.48 -0.36 0.00 -0.26 0.00 0.00 57.72 57.58 2nuu n HIS 42 Cb 0.00 -1.32 -0.06 0.00 1.12 0.00 0.00 29.99 29.73 2nuu n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nuu s ALA 43 N -1.21 3.13 0.09 -1.41 0.00 -1.26 -4.59 121.76 116.51 2nuu s ALA 43 Ca 0.44 0.55 0.08 0.00 0.00 0.00 0.00 51.96 53.04 2nuu s ALA 43 Cb -0.48 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2nuu s ALA 43 CO 0.46 0.04 -0.18 -1.21 0.00 0.00 0.00 175.76 174.87 2nuu s GLU 44 N -2.45 1.86 -0.12 0.00 2.02 0.11 -4.98 118.70 115.14 2nuu s GLU 44 Ca 0.55 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2nuu s GLU 44 Cb -0.18 -2.13 0.02 0.00 0.10 0.00 0.00 34.13 31.95 2nuu s GLU 44 CO 0.23 0.50 -0.10 -1.17 0.02 0.00 0.00 175.26 174.73 2nuu s LEU 45 N -1.92 1.38 -0.26 1.80 2.96 -1.26 -0.96 118.68 120.42 2nuu s LEU 45 Ca 0.17 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2nuu s LEU 45 Cb -0.11 -0.96 0.07 0.00 0.50 0.00 0.00 46.19 45.70 2nuu s LEU 45 CO 0.08 -0.09 0.00 -0.31 -1.32 0.00 0.00 176.35 174.72 2nuu s TYR 46 N 1.56 2.24 0.00 5.38 2.02 -0.74 -5.02 117.35 122.79 2nuu s TYR 46 Ca 0.04 -1.79 0.00 0.00 -0.37 0.00 0.00 57.07 54.95 2nuu s TYR 46 Cb -0.13 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 2nuu s TYR 46 CO -0.08 -0.80 0.00 0.54 -1.57 0.00 0.00 175.55 173.64 2nuu n ARG 47 N 4.71 0.00 0.03 -0.62 1.74 -1.26 0.19 116.66 121.44 2nuu n ARG 47 Ca -0.08 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.14 2nuu n ARG 47 Cb 0.44 0.00 0.44 0.00 -1.02 0.00 0.00 32.46 32.31 2nuu n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nuu n GLY 48 N 0.00 -1.48 3.74 -0.13 0.00 -1.26 -4.86 105.19 101.20 2nuu n GLY 48 Ca 0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2nuu n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nuu s ALA 49 N -3.04 3.32 -0.19 4.61 0.00 0.13 -5.05 121.76 121.53 2nuu s ALA 49 Ca 0.12 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2nuu s ALA 49 Cb 0.17 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 20.22 2nuu s ALA 49 CO 0.61 0.03 -0.11 -2.00 0.00 0.00 0.00 175.76 174.29 2nuu s GLU 50 N -0.04 2.05 -0.58 0.00 2.12 -1.26 -1.79 118.70 119.20 2nuu s GLU 50 Ca 0.42 -0.82 -0.07 0.00 0.36 0.00 0.00 54.97 54.86 2nuu s GLU 50 Cb -0.22 -2.39 0.15 0.00 0.26 0.00 0.00 34.13 31.93 2nuu s GLU 50 CO 0.26 -0.41 0.44 0.71 -0.54 0.00 0.00 175.26 175.71 2nuu s TYR 51 N 1.40 3.50 0.16 5.30 2.02 -0.14 -4.93 117.35 124.66 2nuu s TYR 51 Ca -0.01 -2.23 -0.06 0.00 -0.37 0.00 0.00 57.07 54.41 2nuu s TYR 51 Cb -0.16 -3.43 0.01 0.00 -0.40 0.00 0.00 41.96 37.98 2nuu s TYR 51 CO -0.08 -0.94 1.42 0.66 -1.57 0.00 0.00 175.55 175.04 2nuu h SER 52 N 7.82 0.68 -3.37 2.29 4.64 -1.91 0.35 113.55 124.06 2nuu h SER 52 Ca -0.08 -0.41 -0.58 0.00 -0.47 0.00 0.00 61.79 60.25 2nuu h SER 52 Cb 1.02 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.84 2nuu h SER 52 CO 0.78 1.16 -0.04 -0.69 -0.87 0.00 0.00 176.83 177.17 2nuu s VAL 53 N -3.81 5.12 -0.08 0.95 1.01 -1.26 -4.23 120.40 118.10 2nuu s VAL 53 Ca -0.08 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.74 2nuu s VAL 53 Cb 0.10 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2nuu s VAL 53 CO 0.86 0.26 0.57 0.20 0.00 0.00 0.00 175.10 176.99 2nuu s ASN 54 N 0.82 -0.54 0.96 3.32 0.01 -1.26 -4.97 114.94 113.28 2nuu s ASN 54 Ca 0.28 0.66 -0.15 0.00 -0.71 0.00 0.00 52.86 52.95 2nuu s ASN 54 Cb -0.16 0.63 0.17 0.00 0.41 0.00 0.00 41.25 42.30 2nuu s ASN 54 CO 0.12 -0.49 1.22 -0.36 -1.51 0.00 0.00 177.10 176.08 2nuu s PHE 55 N -0.91 1.91 -0.05 2.20 0.08 -1.26 -4.53 117.98 115.41 2nuu s PHE 55 Ca -0.09 0.55 0.04 0.00 0.12 0.00 0.00 56.93 57.55 2nuu s PHE 55 Cb -0.02 -3.74 -0.02 0.00 -0.57 0.00 0.00 43.02 38.67 2nuu s PHE 55 CO 0.07 -2.60 -0.17 -0.51 -0.10 0.00 0.00 175.22 171.91 2nuu s LEU 56 N -6.02 2.57 0.31 -0.37 2.01 0.10 -4.86 118.68 112.43 2nuu s LEU 56 Ca 0.69 -0.27 -0.29 0.00 0.01 0.00 0.00 54.13 54.26 2nuu s LEU 56 Cb -0.09 -1.51 -0.11 0.00 0.01 0.00 0.00 46.19 44.50 2nuu s LEU 56 CO 0.53 0.32 1.48 -2.16 1.01 0.00 0.00 176.35 177.53 2nuu s PRO 57 N -0.60 4.19 0.10 1.29 0.04 -1.26 -0.25 135.00 138.50 2nuu s PRO 57 Ca 0.09 2.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.54 2nuu s PRO 57 Cb -0.11 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2nuu s PRO 57 CO 0.01 -0.49 0.10 0.15 0.04 0.00 0.00 177.00 176.81 2nuu s LYS 58 N -1.13 0.85 -0.12 4.56 -0.14 -0.81 -4.57 119.74 118.37 2nuu s LYS 58 Ca 0.57 -1.22 0.03 0.00 -1.36 0.00 0.00 55.97 53.99 2nuu s LYS 58 Cb -0.45 0.28 0.01 0.00 -1.68 0.00 0.00 37.83 35.99 2nuu s LYS 58 CO 0.52 -0.24 -0.21 0.08 -0.76 0.00 0.00 175.35 174.73 2nuu s VAL 59 N -3.95 1.95 -0.20 3.17 1.01 0.30 -2.02 120.40 120.66 2nuu s VAL 59 Ca 0.13 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2nuu s VAL 59 Cb 0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2nuu s VAL 59 CO -0.05 0.53 0.05 -0.75 0.00 0.00 0.00 175.10 174.88 2nuu s LYS 60 N 0.71 3.79 -0.15 2.72 2.20 -0.37 -0.48 119.74 128.15 2nuu s LYS 60 Ca -0.10 -0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2nuu s LYS 60 Cb -0.16 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2nuu s LYS 60 CO 0.01 0.08 -0.06 0.42 -0.36 0.00 0.00 175.35 175.44 2nuu s ILE 61 N 0.88 3.62 -0.24 5.43 1.01 0.53 -0.74 121.20 131.69 2nuu s ILE 61 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2nuu s ILE 61 Cb -0.14 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.78 2nuu s ILE 61 CO 0.02 0.50 -0.08 -1.81 0.00 0.00 0.00 174.94 173.57 2nuu s ASP 62 N 0.44 4.18 -0.04 3.58 1.01 0.13 -0.64 116.67 125.32 2nuu s ASP 62 Ca -0.05 -0.82 -0.00 0.00 0.71 0.00 0.00 52.55 52.38 2nuu s ASP 62 Cb -0.15 -1.64 0.03 0.00 1.01 0.00 0.00 42.92 42.17 2nuu s ASP 62 CO 0.03 -0.11 0.00 0.54 0.21 0.00 0.00 175.17 175.85 2nuu s VAL 63 N 1.33 0.23 0.14 -1.27 0.11 -0.96 -1.23 120.40 118.76 2nuu s VAL 63 Ca 0.01 0.12 -0.25 0.00 -2.93 0.00 0.00 61.98 58.93 2nuu s VAL 63 Cb -0.16 -0.36 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 2nuu s VAL 63 CO -0.05 0.19 0.76 0.00 -3.33 0.00 0.00 175.10 172.67 2nuu s ALA 64 N 1.42 3.45 0.14 1.54 0.00 -1.26 -1.60 121.76 125.45 2nuu s ALA 64 Ca -0.04 0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 2nuu s ALA 64 Cb -0.13 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2nuu s ALA 64 CO -0.03 0.27 0.16 0.96 0.00 0.00 0.00 175.76 177.12 2nuu s ILE 65 N -0.99 0.10 0.53 0.00 -4.36 -0.34 -4.99 121.20 111.14 2nuu s ILE 65 Ca 0.36 -1.62 -0.19 0.00 -0.26 0.00 0.00 60.65 58.94 2nuu s ILE 65 Cb -0.23 -1.86 -0.07 0.00 1.25 0.00 0.00 42.46 41.56 2nuu s ILE 65 CO 0.25 -0.45 1.06 0.00 0.24 0.00 0.00 174.94 176.04 2nuu s ALA 66 N -3.99 2.81 0.14 2.27 0.00 -1.26 -1.13 121.76 120.60 2nuu s ALA 66 Ca 0.18 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 2nuu s ALA 66 Cb 0.06 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2nuu s ALA 66 CO -0.01 -0.52 1.74 -0.44 0.00 0.00 0.00 175.76 176.53 2nuu h ASP 67 N 1.17 0.06 0.00 0.00 3.32 -1.95 -2.37 116.42 116.65 2nuu h ASP 67 Ca -0.49 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2nuu h ASP 67 Cb 1.23 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2nuu h ASP 67 CO 0.58 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 177.27 2nuu n ASP 68 N -5.06 0.00 -0.62 6.45 3.85 -1.26 -2.17 116.55 117.74 2nuu n ASP 68 Ca -0.00 -0.35 0.08 0.00 -0.71 0.00 0.00 54.79 53.80 2nuu n ASP 68 Cb 0.11 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 39.95 2nuu n ASP 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2nuu n GLN 69 N -0.97 1.17 0.16 0.11 6.02 -0.89 -4.76 117.38 118.22 2nuu n GLN 69 Ca 0.07 -1.43 -0.14 0.00 -0.01 0.00 0.00 57.00 55.49 2nuu n GLN 69 Cb 0.03 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 29.92 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 3.01 -1.20 -0.91 1.08 6.46 -1.53 -1.98 115.31 120.23 2nuu h LEU 70 Ca 0.00 0.11 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 2nuu h LEU 70 Cb 0.64 0.42 -0.06 0.00 -0.73 0.00 0.00 40.66 40.94 2nuu h LEU 70 CO 0.00 -0.49 0.59 0.44 -0.62 0.00 0.00 178.44 178.36 2nuu h ASP 71 N -0.71 0.96 -0.43 1.25 3.32 -1.85 -0.95 116.42 118.01 2nuu h ASP 71 Ca -0.03 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.05 2nuu h ASP 71 Cb 0.66 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2nuu h ASP 71 CO -0.14 0.65 0.24 -0.08 -1.72 0.00 0.00 179.24 178.18 2nuu h GLU 72 N 1.12 0.47 -0.19 3.56 4.81 -1.85 -1.81 114.58 120.70 2nuu h GLU 72 Ca 0.38 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 2nuu h GLU 72 Cb 0.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2nuu h GLU 72 CO -0.14 0.31 -0.02 0.28 -0.73 0.00 0.00 179.01 178.72 2nuu h VAL 73 N 0.49 1.27 -0.56 0.32 2.07 -0.93 -2.21 116.25 116.69 2nuu h VAL 73 Ca 0.18 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.83 2nuu h VAL 73 Cb 0.04 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2nuu h VAL 73 CO -0.10 0.28 0.37 0.40 0.02 0.00 0.00 177.57 178.55 2nuu h ILE 74 N 0.08 1.00 0.05 4.57 2.04 -1.04 -2.00 117.51 122.21 2nuu h ILE 74 Ca 0.05 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2nuu h ILE 74 Cb 0.43 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2nuu h ILE 74 CO 0.01 0.10 -0.03 -0.78 0.00 0.00 0.00 178.15 177.46 2nuu h ASP 75 N 0.55 -0.06 -0.04 1.72 3.58 -1.18 -3.01 116.42 117.98 2nuu h ASP 75 Ca 0.24 -0.58 -0.10 0.00 0.42 0.00 0.00 57.03 57.01 2nuu h ASP 75 Cb 0.25 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2nuu h ASP 75 CO -0.07 0.61 -0.28 -0.29 -2.88 0.00 0.00 179.24 176.33 2nuu h ILE 76 N -0.79 1.27 -0.23 2.25 2.10 -1.31 -2.67 117.51 118.14 2nuu h ILE 76 Ca -0.01 -1.33 -0.21 0.00 1.08 0.00 0.00 64.86 64.40 2nuu h ILE 76 Cb 0.64 1.40 0.01 0.00 -1.09 0.00 0.00 36.82 37.77 2nuu h ILE 76 CO 0.01 0.42 -0.66 0.58 -1.08 0.00 0.00 178.15 177.42 2nuu h VAL 77 N 0.42 1.27 -0.03 2.19 2.07 -1.51 -2.03 116.25 118.63 2nuu h VAL 77 Ca 0.06 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 65.74 2nuu h VAL 77 Cb 0.71 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2nuu h VAL 77 CO 0.05 0.60 -0.03 0.28 0.02 0.00 0.00 177.57 178.49 2nuu h SER 78 N 0.61 -0.09 -0.22 0.57 0.02 -1.44 0.21 113.55 113.22 2nuu h SER 78 Ca -0.02 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2nuu h SER 78 Cb 1.28 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2nuu h SER 78 CO 0.14 -0.04 -0.13 0.11 -1.14 0.00 0.00 176.83 175.77 2nuu h LYS 79 N -0.04 0.62 -0.04 3.45 1.57 -1.51 -2.43 116.57 118.19 2nuu h LYS 79 Ca 0.02 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 2nuu h LYS 79 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2nuu h LYS 79 CO -0.05 0.73 -0.76 0.00 -0.57 0.00 0.00 179.45 178.80 2nuu h ALA 80 N 1.30 0.63 -0.00 3.86 0.00 -1.00 -3.22 119.26 120.83 2nuu h ALA 80 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2nuu h ALA 80 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2nuu h ALA 80 CO 0.03 0.81 -0.36 0.00 0.00 0.00 0.00 179.25 179.74 2nuu n ALA 81 N -2.48 3.25 -2.22 0.00 0.00 0.71 -4.51 120.51 115.26 2nuu n ALA 81 Ca -0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 2nuu n ALA 81 Cb 0.72 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.83 3.03 0.00 0.00 5.04 -0.92 -4.88 117.35 116.79 2nuu s TYR 82 Ca 0.16 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 2nuu s TYR 82 Cb 0.18 -3.65 0.00 0.00 0.35 0.00 0.00 41.96 38.84 2nuu s TYR 82 CO 0.62 -2.35 0.00 0.25 -1.34 0.00 0.00 175.55 172.73 2nuu n THR 83 N 4.35 0.00 0.00 4.34 -2.24 -1.26 -5.03 114.28 114.44 2nuu n THR 83 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2nuu n THR 83 Cb 0.43 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 2.11 2.98 3.85 3.38 0.00 -1.26 -5.04 105.19 111.20 2nuu n GLY 84 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.13 3.94 0.31 1.61 1.02 -1.26 -5.01 119.74 120.22 2nuu s LYS 85 Ca 0.00 0.87 -0.28 0.00 0.02 0.00 0.00 55.97 56.58 2nuu s LYS 85 Cb 0.00 -2.19 -0.13 0.00 -0.52 0.00 0.00 37.83 34.98 2nuu s LYS 85 CO 0.00 -0.20 1.13 -0.89 -0.92 0.00 0.00 175.35 174.47 2nuu n ILE 86 N -1.41 1.97 -0.21 2.17 -0.00 -1.26 -3.23 119.36 117.39 2nuu n ILE 86 Ca 0.06 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.32 2nuu n ILE 86 Cb 0.54 -1.23 0.00 0.00 -0.00 0.00 0.00 39.64 38.95 2nuu n ILE 86 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2nuu n GLY 87 N 1.07 0.81 0.41 7.39 0.00 -1.26 -4.85 105.19 108.77 2nuu n GLY 87 Ca 0.08 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 -5.00 1.61 5.19 -1.90 -3.41 116.42 113.10 2nuu h ASP 88 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2nuu h ASP 88 Cb 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 2nuu h ASP 88 CO 0.00 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.81 2nuu n GLY 89 N -1.61 -0.73 3.15 2.75 0.00 -1.25 -3.99 105.19 103.51 2nuu n GLY 89 Ca 0.16 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.17 0.81 -0.20 1.61 -2.85 -0.82 -4.97 119.74 113.15 2nuu s LYS 90 Ca 0.00 -1.25 -0.03 0.00 -1.00 0.00 0.00 55.97 53.69 2nuu s LYS 90 Cb 0.00 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 36.02 2nuu s LYS 90 CO 0.00 -0.22 -0.07 0.42 0.10 0.00 0.00 175.35 175.58 2nuu s ILE 91 N -3.96 3.22 -0.13 3.79 1.01 -1.26 -1.35 121.20 122.53 2nuu s ILE 91 Ca 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2nuu s ILE 91 Cb 0.07 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2nuu s ILE 91 CO -0.05 0.45 -0.08 -0.36 0.00 0.00 0.00 174.94 174.91 2nuu s PHE 92 N 1.22 2.93 -0.12 3.97 0.08 0.71 -4.97 117.98 121.80 2nuu s PHE 92 Ca 0.02 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.76 2nuu s PHE 92 Cb -0.14 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 2nuu s PHE 92 CO -0.02 -0.01 -0.18 0.08 -0.10 0.00 0.00 175.22 174.99 2nuu s VAL 93 N 0.09 1.71 0.29 -0.44 1.01 -1.26 -0.67 120.40 121.13 2nuu s VAL 93 Ca -0.03 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.27 2nuu s VAL 93 Cb -0.14 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 2nuu s VAL 93 CO 0.03 0.48 -0.08 0.00 0.00 0.00 0.00 175.10 175.54 2nuu s ALA 94 N 0.99 2.46 -0.12 5.51 0.00 -0.59 -4.98 121.76 125.02 2nuu s ALA 94 Ca -0.05 -1.92 -0.19 0.00 0.00 0.00 0.00 51.96 49.80 2nuu s ALA 94 Cb -0.15 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2nuu s ALA 94 CO -0.03 -0.02 0.50 -2.00 0.00 0.00 0.00 175.76 174.22 2nuu s GLU 95 N -3.69 4.33 -0.21 0.00 2.56 -1.26 -1.05 118.70 119.38 2nuu s GLU 95 Ca 0.30 0.48 -0.12 0.00 0.00 0.00 0.00 54.97 55.63 2nuu s GLU 95 Cb 0.03 -3.45 -0.05 0.00 2.00 0.00 0.00 34.13 32.66 2nuu s GLU 95 CO 0.13 0.11 0.21 -0.51 -0.56 0.00 0.00 175.26 174.64 2nuu s LEU 96 N 0.76 4.17 0.04 2.70 1.43 -0.91 -4.86 118.68 122.01 2nuu s LEU 96 Ca 0.27 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2nuu s LEU 96 Cb -0.15 -2.21 -0.26 0.00 0.03 0.00 0.00 46.19 43.60 2nuu s LEU 96 CO 0.11 0.09 1.00 1.56 0.23 0.00 0.00 176.35 179.34 2nuu h GLN 97 N 7.09 0.17 -2.55 1.70 4.20 -1.98 -3.39 115.11 120.36 2nuu h GLN 97 Ca -0.39 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 57.97 2nuu h GLN 97 Cb 1.16 0.11 -0.17 0.00 0.30 0.00 0.00 27.48 28.88 2nuu h GLN 97 CO 0.71 1.04 0.09 0.50 -0.67 0.00 0.00 178.83 180.51 2nuu s ARG 98 N -2.65 1.05 -0.05 1.46 3.52 -1.26 -5.02 118.95 116.00 2nuu s ARG 98 Ca -0.05 -0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 2nuu s ARG 98 Cb 0.08 0.49 0.02 0.00 -1.56 0.00 0.00 34.95 33.98 2nuu s ARG 98 CO 0.85 -0.37 0.13 0.08 -0.81 0.00 0.00 175.30 175.18 2nuu s VAL 99 N -2.11 -0.02 -0.04 7.11 1.01 -1.26 -5.01 120.40 120.08 2nuu s VAL 99 Ca -0.07 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2nuu s VAL 99 Cb -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.19 2nuu s VAL 99 CO 0.01 0.03 -0.05 -0.63 0.00 0.00 0.00 175.10 174.47 2nuu s ILE 100 N 0.53 0.53 -0.40 2.22 1.09 -1.26 -0.59 121.20 123.32 2nuu s ILE 100 Ca -0.04 -0.13 -0.29 0.00 -1.10 0.00 0.00 60.65 59.09 2nuu s ILE 100 Cb -0.05 -0.56 0.02 0.00 -1.06 0.00 0.00 42.46 40.81 2nuu s ILE 100 CO -0.02 0.22 1.11 -0.60 -0.10 0.00 0.00 174.94 175.55 2nuu s ARG 101 N 0.87 3.89 0.24 2.79 3.52 -0.64 -4.92 118.95 124.71 2nuu s ARG 101 Ca -0.12 0.81 -0.05 0.00 -0.13 0.00 0.00 55.73 56.25 2nuu s ARG 101 Cb -0.14 -3.82 0.39 0.00 -1.56 0.00 0.00 34.95 29.81 2nuu s ARG 101 CO 0.00 -1.15 1.79 0.82 -0.81 0.00 0.00 175.30 175.96 2nuu h ILE 102 N 5.99 0.86 0.00 4.11 2.04 -1.94 0.78 117.51 129.35 2nuu h ILE 102 Ca -0.22 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2nuu h ILE 102 Cb 1.06 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2nuu h ILE 102 CO 1.08 0.13 -0.14 -0.09 0.00 0.00 0.00 178.15 179.12 2nuu h ARG 103 N 0.69 0.00 0.00 2.37 2.43 -1.98 -3.34 114.38 114.55 2nuu h ARG 103 Ca 0.39 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2nuu h ARG 103 Cb 0.40 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2nuu h ARG 103 CO -0.27 0.14 -1.01 0.25 -1.51 0.00 0.00 179.97 177.57 2nuu n THR 104 N -4.19 0.00 -0.60 0.20 -2.24 -1.07 -5.00 114.28 101.38 2nuu n THR 104 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2nuu n THR 104 Cb 0.22 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.78 3.75 3.38 0.00 0.24 -5.03 105.19 110.90 2nuu n GLY 105 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.40 2.96 0.11 1.61 2.02 -1.24 -4.78 118.70 118.98 2nuu s GLU 106 Ca 0.00 2.11 0.10 0.00 0.02 0.00 0.00 54.97 57.20 2nuu s GLU 106 Cb 0.00 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 2nuu s GLU 106 CO 0.00 -1.29 -0.24 0.00 0.02 0.00 0.00 175.26 173.75 2nuu s ALA 107 N -1.38 2.11 0.00 5.21 0.00 -1.26 -1.62 121.76 124.82 2nuu s ALA 107 Ca 0.75 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2nuu s ALA 107 Cb -0.38 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2nuu s ALA 107 CO 0.43 0.46 0.00 -0.25 0.00 0.00 0.00 175.76 176.40 2nuu n ASP 108 N 1.08 0.00 -0.16 0.00 8.00 0.24 -2.87 116.55 122.84 2nuu n ASP 108 Ca -0.19 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.52 2nuu n ASP 108 Cb 0.53 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 42.22 2nuu n ASP 108 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2nuu h GLU 109 N 0.00 0.24 -0.00 -1.24 4.81 -1.97 0.63 114.58 117.04 2nuu h GLU 109 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2nuu h GLU 109 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2nuu h GLU 109 CO 0.00 0.16 -0.16 0.00 -0.73 0.00 0.00 179.01 178.28 2nuu n ALA 110 N -2.59 2.84 0.54 2.92 0.00 -1.14 -3.72 120.51 119.37 2nuu n ALA 110 Ca 0.16 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2nuu n ALA 110 Cb 0.70 -1.30 0.23 0.00 0.00 0.00 0.00 19.45 19.08 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 3.49 0.73 -0.02 0.00 0.00 -0.98 -3.45 119.26 119.04 2nuu h ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nuu h ALA 111 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2nuu h ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53