#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5b h PHE 4 N 0.00 0.53 0.00 0.66 3.57 -1.99 -3.08 116.94 116.63 1n5b h PHE 4 Ca 0.00 -0.39 -0.09 0.00 3.53 0.00 0.00 57.97 61.02 1n5b h PHE 4 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1n5b h PHE 4 CO 0.00 1.68 -0.43 1.05 -2.23 0.00 0.00 178.31 178.38 1n5b h GLU 5 N -0.06 0.00 0.00 1.11 4.11 -2.01 -1.43 114.58 116.29 1n5b h GLU 5 Ca -0.37 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.03 1n5b h GLU 5 Cb 1.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 1n5b h GLU 5 CO 0.09 0.43 -0.17 0.37 0.07 0.00 0.00 179.01 179.81 1n5b h GLN 6 N 0.00 0.00 0.13 1.06 4.15 -2.01 -2.55 115.11 115.89 1n5b h GLN 6 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.16 1n5b h GLN 6 Cb 0.82 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.51 1n5b h GLN 6 CO 0.06 0.17 -1.28 0.00 -1.93 0.00 0.00 178.83 175.84 1n5b h ALA 7 N 1.83 0.09 0.00 3.38 0.00 -1.20 -3.16 119.26 120.20 1n5b h ALA 7 Ca -0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 54.91 53.89 1n5b h ALA 7 Cb 0.68 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1n5b h ALA 7 CO 0.02 0.71 -0.18 0.82 0.00 0.00 0.00 179.25 180.63 1n5b h ILE 8 N -0.28 1.06 0.04 0.00 1.08 -1.26 -1.45 117.51 116.69 1n5b h ILE 8 Ca -0.26 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 63.58 1n5b h ILE 8 Cb 1.76 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1n5b h ILE 8 CO 0.10 0.18 -0.02 0.71 -0.69 0.00 0.00 178.15 178.42 1n5b h THR 9 N 0.00 1.34 -0.96 -0.27 1.35 -1.57 -0.99 112.91 111.80 1n5b h THR 9 Ca -0.00 -1.39 0.02 0.00 -0.55 0.00 0.00 66.41 64.49 1n5b h THR 9 Cb 0.33 2.24 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 1n5b h THR 9 CO 0.02 0.34 0.64 -0.61 -0.25 0.00 0.00 175.52 175.66 1n5b h GLN 10 N -0.69 1.24 0.78 4.72 4.15 -1.49 0.13 115.11 123.94 1n5b h GLN 10 Ca -0.01 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1n5b h GLN 10 Cb 0.60 -0.28 0.01 0.00 0.21 0.00 0.00 27.48 28.02 1n5b h GLN 10 CO 0.01 0.82 -0.37 1.25 -1.93 0.00 0.00 178.83 178.61 1n5b h LEU 11 N 1.28 -0.88 -1.96 -2.39 5.85 -1.28 -0.84 115.31 115.09 1n5b h LEU 11 Ca 0.36 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.29 1n5b h LEU 11 Cb -0.10 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1n5b h LEU 11 CO -0.09 -0.60 0.46 -0.26 -0.34 0.00 0.00 178.44 177.60 1n5b h PHE 12 N -1.10 0.05 -0.23 1.25 -1.00 -1.00 -0.25 116.94 114.66 1n5b h PHE 12 Ca -0.11 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.55 1n5b h PHE 12 Cb 0.80 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.34 1n5b h PHE 12 CO 0.04 0.02 -0.33 1.96 -1.61 0.00 0.00 178.31 178.39 1n5b h GLN 13 N 0.04 0.63 0.00 1.51 4.20 -0.48 0.70 115.11 121.70 1n5b h GLN 13 Ca 0.31 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1n5b h GLN 13 Cb 1.16 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1n5b h GLN 13 CO -0.02 0.98 0.00 1.96 -0.67 0.00 0.00 178.83 181.08 1n5b h GLN 14 N 0.33 0.00 -0.07 1.46 4.20 0.36 -2.28 115.11 119.11 1n5b h GLN 14 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1n5b h GLN 14 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1n5b h GLN 14 CO 0.08 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.52 1n5b n LEU 15 N -2.35 2.55 -3.66 1.46 4.77 -0.30 -5.00 117.00 114.48 1n5b n LEU 15 Ca 0.03 -1.09 -0.22 0.00 -0.03 0.00 0.00 56.01 54.70 1n5b n LEU 15 Cb 0.29 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1n5b n LEU 15 CO 0.23 0.47 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.50 1n5b n SER 16 N 1.00 -2.23 -4.61 -1.43 7.64 0.12 -5.00 113.62 109.10 1n5b n SER 16 Ca 0.11 -0.84 -0.26 0.00 1.01 0.00 0.00 58.87 58.89 1n5b n SER 16 Cb 0.45 -4.06 -0.09 0.00 -1.01 0.00 0.00 64.21 59.50 1n5b n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n5b s LEU 17 N -6.53 3.11 -0.17 -3.43 1.43 0.20 -5.01 118.68 108.28 1n5b s LEU 17 Ca 0.11 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 1n5b s LEU 17 Cb -0.03 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1n5b s LEU 17 CO 0.81 0.09 1.35 -0.55 0.23 0.00 0.00 176.35 178.28 1n5b s SER 18 N -2.97 6.82 -0.23 2.29 0.15 -1.26 -4.66 113.70 113.85 1n5b s SER 18 Ca 0.26 1.71 -0.29 0.00 0.70 0.00 0.00 55.95 58.33 1n5b s SER 18 Cb -0.09 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1n5b s SER 18 CO 0.17 -0.87 1.41 -0.63 1.20 0.00 0.00 173.24 174.52 1n5b s ILE 19 N 3.83 4.00 1.03 6.45 1.01 -1.26 -5.00 121.20 131.26 1n5b s ILE 19 Ca 0.59 1.16 -0.16 0.00 0.00 0.00 0.00 60.65 62.24 1n5b s ILE 19 Cb -0.23 -3.94 0.11 0.00 0.01 0.00 0.00 42.46 38.41 1n5b s ILE 19 CO 0.19 -0.32 0.04 -2.65 0.00 0.00 0.00 174.94 172.21 1n5b n PRO 20 N 7.24 -1.83 -0.00 2.79 -0.02 -1.26 -4.96 135.00 136.96 1n5b n PRO 20 Ca 0.16 -0.53 0.08 0.00 -2.02 0.00 0.00 63.50 61.18 1n5b n PRO 20 Cb 0.45 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.35 1n5b n PRO 20 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1n5b n ASP 21 N -0.87 0.83 0.00 2.55 4.64 -1.26 -4.67 116.55 117.76 1n5b n ASP 21 Ca 0.03 -0.76 0.00 0.00 -1.38 0.00 0.00 54.79 52.68 1n5b n ASP 21 Cb 0.47 1.12 0.00 0.00 -1.04 0.00 0.00 41.12 41.66 1n5b n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1n5b n THR 22 N -1.50 0.00 -3.02 5.18 -2.24 -1.26 -5.10 114.28 106.34 1n5b n THR 22 Ca 0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1n5b n THR 22 Cb 0.29 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1n5b n THR 22 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1n5b n ILE 23 N -0.96 -8.16 -1.30 2.28 5.41 -1.26 -4.92 119.36 110.44 1n5b n ILE 23 Ca 0.00 0.92 -0.35 0.00 1.00 0.00 0.00 62.75 64.32 1n5b n ILE 23 Cb 0.09 -5.61 0.11 0.00 -0.71 0.00 0.00 39.64 33.53 1n5b n ILE 23 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1n5b s GLU 24 N -2.01 1.90 0.58 0.38 2.12 -1.26 -4.85 118.70 115.56 1n5b s GLU 24 Ca 0.16 1.86 0.28 0.00 0.36 0.00 0.00 54.97 57.64 1n5b s GLU 24 Cb -0.03 -1.79 1.52 0.00 0.26 0.00 0.00 34.13 34.08 1n5b s GLU 24 CO 0.66 -2.04 1.96 -1.35 -0.54 0.00 0.00 175.26 173.94 1n5b h PRO 25 N -0.47 0.00 -4.59 4.30 0.11 -1.95 -3.34 132.00 126.07 1n5b h PRO 25 Ca -0.48 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 1n5b h PRO 25 Cb 1.31 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 32.05 1n5b h PRO 25 CO 0.48 0.00 -0.81 0.08 -0.21 0.00 0.00 178.00 177.54 1n5b s VAL 26 N -4.66 1.66 0.14 3.15 1.01 -1.26 -4.31 120.40 116.13 1n5b s VAL 26 Ca -0.04 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 1n5b s VAL 26 Cb 0.16 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1n5b s VAL 26 CO 0.57 0.16 0.43 -0.63 0.00 0.00 0.00 175.10 175.63 1n5b s ILE 27 N 1.39 5.08 -0.08 2.22 -1.09 0.14 -4.87 121.20 123.99 1n5b s ILE 27 Ca -0.01 0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.74 1n5b s ILE 27 Cb -0.16 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 1n5b s ILE 27 CO -0.08 0.11 -0.20 -0.83 -1.23 0.00 0.00 174.94 172.71 1n5b s GLY 28 N -2.16 1.40 -0.03 6.18 0.00 -1.26 0.06 107.32 111.51 1n5b s GLY 28 Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1n5b s GLY 28 CO 0.21 -0.50 0.01 0.14 0.00 0.00 0.00 173.10 172.97 1n5b s VAL 29 N -0.04 0.14 -0.19 1.40 1.01 -0.22 -5.01 120.40 117.50 1n5b s VAL 29 Ca -0.06 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1n5b s VAL 29 Cb -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1n5b s VAL 29 CO 0.05 0.15 -0.07 -0.75 0.00 0.00 0.00 175.10 174.47 1n5b s LYS 30 N 1.17 3.39 -0.16 2.72 2.20 -1.26 -0.18 119.74 127.61 1n5b s LYS 30 Ca -0.08 -0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1n5b s LYS 30 Cb -0.13 -2.88 -0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1n5b s LYS 30 CO -0.02 -0.05 -0.13 0.08 -0.36 0.00 0.00 175.35 174.87 1n5b s VAL 31 N 1.06 2.87 0.00 4.02 1.01 -0.57 -4.97 120.40 123.82 1n5b s VAL 31 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1n5b s VAL 31 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1n5b s VAL 31 CO -0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1n5b n GLY 32 N 4.12 3.10 0.80 4.51 0.00 -1.26 -0.57 105.19 115.88 1n5b n GLY 32 Ca -0.19 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1n5b n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n5b n GLU 33 N 14.00 2.01 -3.71 1.61 -0.58 -1.26 -4.86 120.64 127.85 1n5b n GLU 33 Ca 0.00 -1.56 -0.37 0.00 -0.42 0.00 0.00 57.16 54.81 1n5b n GLU 33 Cb 0.00 -1.37 -0.12 0.00 -0.57 0.00 0.00 31.44 29.37 1n5b n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1n5b s PHE 34 N -1.50 3.13 -0.38 -0.32 0.40 0.27 -5.06 117.98 114.52 1n5b s PHE 34 Ca 0.31 -0.51 -0.24 0.00 -0.60 0.00 0.00 56.93 55.90 1n5b s PHE 34 Cb 0.17 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.42 1n5b s PHE 34 CO 0.23 -0.41 0.81 0.00 0.70 0.00 0.00 175.22 176.55 1n5b s ALA 35 N 1.61 3.40 -0.20 5.36 0.00 -1.26 -1.51 121.76 129.15 1n5b s ALA 35 Ca 0.05 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 1n5b s ALA 35 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1n5b s ALA 35 CO 0.05 -1.58 0.08 0.00 0.00 0.00 0.00 175.76 174.30 1n5b s HIS 37 N 0.69 3.46 -0.02 0.00 3.76 0.63 -1.06 115.29 122.75 1n5b s HIS 37 Ca 0.04 0.37 0.07 0.00 -0.15 0.00 0.00 55.06 55.39 1n5b s HIS 37 Cb -0.13 -2.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 1n5b s HIS 37 CO 0.02 0.46 -0.24 0.42 -0.85 0.00 0.00 174.74 174.55 1n5b s ILE 38 N -0.26 1.89 0.04 0.60 1.01 0.11 -1.10 121.20 123.50 1n5b s ILE 38 Ca 0.10 -1.02 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 1n5b s ILE 38 Cb -0.12 -1.57 0.09 0.00 0.01 0.00 0.00 42.46 40.87 1n5b s ILE 38 CO 0.01 0.53 0.78 0.28 0.00 0.00 0.00 174.94 176.54 1n5b s THR 39 N -0.50 0.00 -0.53 2.92 -1.32 -0.16 0.29 115.64 116.34 1n5b s THR 39 Ca 0.07 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.35 1n5b s THR 39 Cb -0.10 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 1n5b s THR 39 CO -0.00 0.00 0.73 -0.70 -2.21 0.00 0.00 174.62 172.44 1n5b s GLU 40 N -3.06 3.18 -0.25 7.08 2.12 -1.26 0.30 118.70 126.81 1n5b s GLU 40 Ca 0.02 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 54.56 1n5b s GLU 40 Cb -0.01 -4.10 0.13 0.00 0.26 0.00 0.00 34.13 30.41 1n5b s GLU 40 CO -0.08 -1.34 0.50 -1.58 -0.54 0.00 0.00 175.26 172.22 1n5b s HIS 41 N 3.07 -1.10 0.24 5.30 2.46 0.11 -4.37 115.29 120.99 1n5b s HIS 41 Ca 0.20 1.61 -0.04 0.00 0.47 0.00 0.00 55.06 57.29 1n5b s HIS 41 Cb -0.17 0.42 0.06 0.00 -0.13 0.00 0.00 32.58 32.75 1n5b s HIS 41 CO 0.14 -0.66 0.28 -0.35 -2.47 0.00 0.00 174.74 171.67 1n5b n PRO 42 N 5.41 -0.78 -1.65 2.88 -0.04 -1.26 -4.45 135.00 135.10 1n5b n PRO 42 Ca -0.07 -0.44 -0.44 0.00 -0.04 0.00 0.00 63.50 62.52 1n5b n PRO 42 Cb 0.50 -0.33 -0.01 0.00 -0.04 0.00 0.00 33.50 33.61 1n5b n PRO 42 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1n5b n VAL 43 N -2.67 1.78 -0.25 0.52 3.14 -1.26 -0.94 118.33 118.64 1n5b n VAL 43 Ca 0.04 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1n5b n VAL 43 Cb 0.13 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 1n5b n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1n5b n GLY 44 N 1.19 1.84 3.26 7.55 0.00 -1.26 -5.01 105.19 112.76 1n5b n GLY 44 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1n5b n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n5b s GLN 45 N -0.23 2.75 -0.43 1.61 -1.52 -0.12 0.13 119.66 121.86 1n5b s GLN 45 Ca 0.00 -0.89 -0.17 0.00 -1.95 0.00 0.00 55.36 52.35 1n5b s GLN 45 Cb 0.00 -2.23 0.02 0.00 -0.22 0.00 0.00 33.01 30.59 1n5b s GLN 45 CO 0.00 0.31 0.45 0.42 -0.25 0.00 0.00 175.29 176.22 1n5b s ILE 46 N 0.02 5.07 -0.17 1.08 -1.09 -0.72 0.08 121.20 125.46 1n5b s ILE 46 Ca -0.09 -0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 57.88 1n5b s ILE 46 Cb -0.15 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1n5b s ILE 46 CO 0.06 -0.46 0.14 -0.22 -1.23 0.00 0.00 174.94 173.23 1n5b s LEU 47 N 2.18 4.27 -0.04 2.97 2.96 0.15 -2.78 118.68 128.37 1n5b s LEU 47 Ca 0.12 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1n5b s LEU 47 Cb -0.17 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1n5b s LEU 47 CO 0.14 0.25 -0.15 -0.04 -1.32 0.00 0.00 176.35 175.23 1n5b s MET 48 N -0.08 1.64 0.12 1.98 -1.94 -0.87 -0.99 119.30 119.16 1n5b s MET 48 Ca 0.10 -0.53 -0.11 0.00 -1.71 0.00 0.00 55.69 53.44 1n5b s MET 48 Cb -0.11 -1.42 0.01 0.00 2.01 0.00 0.00 34.83 35.31 1n5b s MET 48 CO 0.00 0.19 0.29 -0.59 -0.01 0.00 0.00 175.02 174.90 1n5b s PHE 49 N 0.16 0.09 0.07 -0.03 -0.12 -0.26 -1.74 117.98 116.15 1n5b s PHE 49 Ca -0.05 -0.47 -0.12 0.00 -0.05 0.00 0.00 56.93 56.23 1n5b s PHE 49 Cb -0.12 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1n5b s PHE 49 CO 0.02 -0.65 0.28 -0.08 -0.05 0.00 0.00 175.22 174.75 1n5b s THR 50 N -3.87 0.10 -0.53 -4.49 -1.32 -0.65 -0.27 115.64 104.61 1n5b s THR 50 Ca 0.07 -0.81 -0.13 0.00 -1.21 0.00 0.00 61.69 59.61 1n5b s THR 50 Cb 0.03 -1.08 0.13 0.00 -1.51 0.00 0.00 72.50 70.08 1n5b s THR 50 CO -0.08 -0.45 0.46 -0.76 -2.21 0.00 0.00 174.62 171.58 1n5b s LEU 51 N -2.40 6.03 0.63 9.08 2.01 -1.26 -1.39 118.68 131.38 1n5b s LEU 51 Ca -0.01 -1.91 -0.12 0.00 0.01 0.00 0.00 54.13 52.10 1n5b s LEU 51 Cb 0.01 -2.13 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 1n5b s LEU 51 CO -0.07 -0.77 1.04 -2.16 1.01 0.00 0.00 176.35 175.39 1n5b s PRO 52 N 1.40 3.38 -0.23 1.29 0.04 -1.26 -4.97 135.00 134.65 1n5b s PRO 52 Ca 0.05 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 1n5b s PRO 52 Cb -0.27 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1n5b s PRO 52 CO 0.01 -0.74 0.30 -1.54 0.04 0.00 0.00 177.00 175.07 1n5b s SER 53 N -3.73 6.29 0.00 6.66 1.04 -1.26 -4.70 113.70 117.99 1n5b s SER 53 Ca 0.58 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1n5b s SER 53 Cb -0.12 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1n5b s SER 53 CO 0.49 -0.04 0.00 0.18 0.98 0.00 0.00 173.24 174.85 1n5b n LEU 54 N 4.53 0.00 -3.71 2.42 4.77 -1.26 -4.17 117.00 119.58 1n5b n LEU 54 Ca -0.11 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 1n5b n LEU 54 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1n5b n LEU 54 CO 0.38 -0.17 0.13 -1.81 -1.33 0.00 0.00 177.39 174.58 1n5b s ASP 55 N -0.70 -0.42 0.11 -1.43 1.11 -1.26 -4.96 116.67 109.11 1n5b s ASP 55 Ca 0.00 0.72 0.11 0.00 0.18 0.00 0.00 52.55 53.56 1n5b s ASP 55 Cb 0.00 0.76 0.52 0.00 1.07 0.00 0.00 42.92 45.27 1n5b s ASP 55 CO 0.00 -0.25 1.33 0.59 1.18 0.00 0.00 175.17 178.02 1n5b n ASN 56 N 2.38 0.21 0.17 0.27 5.03 -1.26 -2.63 115.26 119.43 1n5b n ASN 56 Ca -0.15 0.58 -0.13 0.00 0.87 0.00 0.00 54.58 55.75 1n5b n ASN 56 Cb 0.57 -0.62 -0.07 0.00 -1.02 0.00 0.00 39.78 38.64 1n5b n ASN 56 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 1n5b h ASN 57 N 0.00 -1.06 -2.84 6.41 -1.24 -2.04 -3.42 115.58 111.39 1n5b h ASN 57 Ca 0.00 0.09 -0.55 0.00 0.71 0.00 0.00 56.30 56.56 1n5b h ASN 57 Cb 0.09 0.37 0.07 0.00 0.73 0.00 0.00 38.32 39.58 1n5b h ASN 57 CO 0.00 -0.46 0.85 0.59 -1.29 0.00 0.00 177.43 177.12 1n5b n ASN 58 N -4.63 3.56 -4.92 1.15 3.02 -1.08 -5.00 115.26 107.36 1n5b n ASN 58 Ca -0.08 1.11 -0.27 0.00 -0.03 0.00 0.00 54.58 55.31 1n5b n ASN 58 Cb 0.32 -1.53 0.07 0.00 -0.61 0.00 0.00 39.78 38.03 1n5b n ASN 58 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1n5b s GLU 59 N 0.18 2.27 0.31 3.52 0.41 -1.26 -4.85 118.70 119.27 1n5b s GLU 59 Ca 0.70 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.21 1n5b s GLU 59 Cb -0.56 -2.10 0.52 0.00 -1.78 0.00 0.00 34.13 30.21 1n5b s GLU 59 CO 0.43 -1.26 1.94 1.57 -0.49 0.00 0.00 175.26 177.44 1n5b h LYS 60 N -0.69 1.00 -0.20 1.61 2.10 -1.96 -1.24 116.57 117.19 1n5b h LYS 60 Ca -0.45 -0.06 -0.13 0.00 -2.00 0.00 0.00 60.65 58.01 1n5b h LYS 60 Cb 1.31 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1n5b h LYS 60 CO 0.62 0.66 -0.43 0.93 -2.00 0.00 0.00 179.45 179.24 1n5b h GLU 61 N 1.03 0.48 -0.12 0.07 3.07 -1.98 -0.83 114.58 116.30 1n5b h GLU 61 Ca 0.35 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1n5b h GLU 61 Cb 0.08 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1n5b h GLU 61 CO -0.11 0.82 -0.02 1.15 -1.40 0.00 0.00 179.01 179.44 1n5b h THR 62 N 0.39 1.29 -0.67 1.13 2.02 -1.77 0.55 112.91 115.84 1n5b h THR 62 Ca 0.03 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1n5b h THR 62 Cb 0.91 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1n5b h THR 62 CO 0.08 0.27 0.27 -0.07 0.37 0.00 0.00 175.52 176.44 1n5b h LEU 63 N -0.09 0.93 -0.92 2.58 3.38 -1.18 -2.60 115.31 117.41 1n5b h LEU 63 Ca 0.03 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1n5b h LEU 63 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1n5b h LEU 63 CO 0.01 0.85 -0.42 -0.07 0.09 0.00 0.00 178.44 178.90 1n5b h LEU 64 N 0.96 0.00 -2.09 1.67 3.38 -1.09 -2.95 115.31 115.19 1n5b h LEU 64 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1n5b h LEU 64 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1n5b h LEU 64 CO -0.02 0.42 -0.07 0.28 0.09 0.00 0.00 178.44 179.14 1n5b h SER 65 N 0.00 0.00 0.80 -0.43 0.02 -0.48 -0.60 113.55 112.86 1n5b h SER 65 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n5b h SER 65 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1n5b h SER 65 CO 0.05 0.07 0.00 0.45 -1.14 0.00 0.00 176.83 176.26 1n5b h HIS 66 N 0.00 0.00 -0.26 3.45 3.86 -1.47 -3.14 115.15 117.59 1n5b h HIS 66 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1n5b h HIS 66 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1n5b h HIS 66 CO 0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 1n5b n ASN 67 N -2.87 2.66 -4.76 2.45 5.03 -0.23 -4.83 115.26 112.71 1n5b n ASN 67 Ca 0.00 -1.87 -0.38 0.00 0.87 0.00 0.00 54.58 53.20 1n5b n ASN 67 Cb 0.25 -0.16 0.03 0.00 -1.02 0.00 0.00 39.78 38.88 1n5b n ASN 67 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n5b s ILE 68 N -1.67 2.31 0.70 2.41 1.10 -1.19 -4.96 121.20 119.90 1n5b s ILE 68 Ca 0.35 0.24 -0.13 0.00 -0.51 0.00 0.00 60.65 60.60 1n5b s ILE 68 Cb 0.20 -3.12 0.02 0.00 0.15 0.00 0.00 42.46 39.71 1n5b s ILE 68 CO 0.29 -0.00 1.11 0.72 -2.11 0.00 0.00 174.94 174.95 1n5b s PHE 69 N -1.35 2.59 0.14 3.50 -0.12 -1.26 -5.05 117.98 116.43 1n5b s PHE 69 Ca 0.69 1.55 -0.02 0.00 -0.05 0.00 0.00 56.93 59.10 1n5b s PHE 69 Cb -0.38 -3.13 0.01 0.00 -0.63 0.00 0.00 43.02 38.89 1n5b s PHE 69 CO 0.45 -1.74 0.23 -1.13 -0.05 0.00 0.00 175.22 172.98 1n5b n SER 70 N -2.81 -0.66 0.27 1.98 3.41 -1.26 -5.04 113.62 109.51 1n5b n SER 70 Ca 0.10 -1.70 0.17 0.00 -0.26 0.00 0.00 58.87 57.17 1n5b n SER 70 Cb 0.52 1.17 0.63 0.00 -0.26 0.00 0.00 64.21 66.28 1n5b n SER 70 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1n5b h GLN 71 N 0.00 0.00 -5.20 4.33 4.20 -2.05 -3.41 115.11 112.98 1n5b h GLN 71 Ca -0.12 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.95 1n5b h GLN 71 Cb 0.47 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.10 1n5b h GLN 71 CO 0.15 0.00 -0.08 0.34 -0.67 0.00 0.00 178.83 178.57 1n5b s ASP 72 N -5.67 6.30 0.00 1.46 3.68 -1.26 -4.93 116.67 116.25 1n5b s ASP 72 Ca 0.02 -0.07 0.28 0.00 2.13 0.00 0.00 52.55 54.91 1n5b s ASP 72 Cb 0.09 -2.26 1.46 0.00 -1.45 0.00 0.00 42.92 40.76 1n5b s ASP 72 CO 0.55 -0.47 1.96 2.30 0.13 0.00 0.00 175.17 179.64 1n5b n ILE 73 N 5.41 0.09 1.05 4.11 -6.64 -1.26 -2.86 119.36 119.25 1n5b n ILE 73 Ca -0.05 0.02 0.12 0.00 -1.77 0.00 0.00 62.75 61.07 1n5b n ILE 73 Cb 0.49 -0.57 0.16 0.00 -1.44 0.00 0.00 39.64 38.28 1n5b n ILE 73 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 1n5b n LEU 74 N -1.21 2.81 -4.65 7.28 4.77 -1.26 -4.68 117.00 120.05 1n5b n LEU 74 Ca 0.15 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 1n5b n LEU 74 Cb 0.19 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1n5b n LEU 74 CO 0.20 0.47 1.62 -0.75 -1.33 0.00 0.00 177.39 177.60 1n5b s LYS 75 N -1.99 4.05 0.76 3.23 2.20 -1.14 -4.70 119.74 122.16 1n5b s LYS 75 Ca 0.30 2.55 -0.14 0.00 -0.36 0.00 0.00 55.97 58.32 1n5b s LYS 75 Cb 0.20 -4.18 0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1n5b s LYS 75 CO 0.30 -1.05 1.19 -1.25 -0.36 0.00 0.00 175.35 174.18 1n5b s PRO 76 N 4.62 1.97 -0.17 4.03 0.04 -1.26 -4.88 135.00 139.35 1n5b s PRO 76 Ca 0.89 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 63.55 1n5b s PRO 76 Cb -0.42 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1n5b s PRO 76 CO 0.41 -1.95 0.02 0.42 0.04 0.00 0.00 177.00 175.94 1n5b s ILE 77 N -2.16 4.42 -0.04 0.56 -1.09 0.16 -4.82 121.20 118.24 1n5b s ILE 77 Ca 0.72 -0.17 -0.19 0.00 -2.23 0.00 0.00 60.65 58.78 1n5b s ILE 77 Cb -0.27 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 1n5b s ILE 77 CO 0.48 0.48 0.53 -0.22 -1.23 0.00 0.00 174.94 174.99 1n5b s LEU 78 N 0.29 4.38 0.00 2.97 2.96 -1.26 -1.22 118.68 126.79 1n5b s LEU 78 Ca 0.01 1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1n5b s LEU 78 Cb -0.13 -2.81 0.01 0.00 0.50 0.00 0.00 46.19 43.76 1n5b s LEU 78 CO 0.01 0.10 0.48 -1.54 -1.32 0.00 0.00 176.35 174.08 1n5b n SER 79 N 2.91 -1.35 -4.09 3.68 3.41 0.06 -4.97 113.62 113.29 1n5b n SER 79 Ca -0.08 -2.76 -0.24 0.00 -0.26 0.00 0.00 58.87 55.53 1n5b n SER 79 Cb 0.51 2.48 -0.16 0.00 -0.26 0.00 0.00 64.21 66.79 1n5b n SER 79 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1n5b s TRP 80 N -3.02 1.50 -0.49 7.33 -0.11 -1.26 -0.80 118.94 122.08 1n5b s TRP 80 Ca 0.26 -0.43 -0.13 0.00 1.22 0.00 0.00 56.10 57.02 1n5b s TRP 80 Cb -0.01 -1.03 0.10 0.00 -1.50 0.00 0.00 33.47 31.04 1n5b s TRP 80 CO 0.19 -0.16 0.40 0.34 -4.62 0.00 0.00 176.95 173.10 1n5b s ASP 81 N 0.15 5.97 0.39 5.86 2.15 0.36 -4.90 116.67 126.65 1n5b s ASP 81 Ca -0.05 -1.66 0.28 0.00 0.43 0.00 0.00 52.55 51.56 1n5b s ASP 81 Cb -0.11 -2.12 1.17 0.00 -0.30 0.00 0.00 42.92 41.55 1n5b s ASP 81 CO 0.02 -0.72 1.84 1.05 -0.17 0.00 0.00 175.17 177.19 1n5b h GLU 82 N 8.67 0.00 0.11 4.34 4.11 -1.96 0.77 114.58 130.62 1n5b h GLU 82 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.16 1n5b h GLU 82 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1n5b h GLU 82 CO 0.91 0.00 -0.05 0.28 0.07 0.00 0.00 179.01 180.22 1n5b h VAL 83 N 0.00 1.11 0.00 -1.06 2.07 -1.95 -3.31 116.25 113.11 1n5b h VAL 83 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1n5b h VAL 83 Cb 0.42 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1n5b h VAL 83 CO 0.00 0.26 -0.71 1.23 0.02 0.00 0.00 177.57 178.36 1n5b h GLY 84 N -0.69 0.00 -2.14 2.17 0.00 -1.96 -3.48 103.07 96.97 1n5b h GLY 84 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1n5b h GLY 84 CO 0.02 0.00 -0.19 0.61 0.00 0.00 0.00 176.54 176.98 1n5b n GLY 85 N 1.32 0.45 3.37 4.60 0.00 0.26 -5.06 105.19 110.13 1n5b n GLY 85 Ca 0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1n5b n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n5b s HIS 86 N -2.96 0.28 0.53 1.61 -3.43 -1.03 -4.98 115.29 105.32 1n5b s HIS 86 Ca 0.14 -0.64 -0.17 0.00 -0.80 0.00 0.00 55.06 53.58 1n5b s HIS 86 Cb -0.06 0.03 -0.07 0.00 -1.43 0.00 0.00 32.58 31.05 1n5b s HIS 86 CO 0.17 -0.75 1.02 -1.25 -2.00 0.00 0.00 174.74 171.94 1n5b s PRO 87 N -3.94 3.71 -0.03 -0.38 0.04 -1.26 -0.49 135.00 132.65 1n5b s PRO 87 Ca 0.15 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.32 1n5b s PRO 87 Cb 0.03 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1n5b s PRO 87 CO -0.01 -0.48 0.01 0.08 0.04 0.00 0.00 177.00 176.64 1n5b s VAL 88 N -2.41 0.12 -0.16 -0.36 1.01 0.02 -4.22 120.40 114.39 1n5b s VAL 88 Ca 0.62 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.71 1n5b s VAL 88 Cb -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1n5b s VAL 88 CO 0.30 0.15 -0.02 -0.22 0.00 0.00 0.00 175.10 175.31 1n5b s LEU 89 N 1.23 3.35 0.04 3.92 2.96 -0.49 -0.76 118.68 128.94 1n5b s LEU 89 Ca -0.07 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 1n5b s LEU 89 Cb -0.13 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1n5b s LEU 89 CO -0.02 0.16 0.25 -1.66 -1.32 0.00 0.00 176.35 173.76 1n5b s TRP 90 N 0.41 -0.03 0.15 5.38 1.48 -0.36 -1.64 118.94 124.34 1n5b s TRP 90 Ca -0.02 -0.14 0.00 0.00 -1.06 0.00 0.00 56.10 54.88 1n5b s TRP 90 Cb -0.14 0.04 -0.04 0.00 -1.16 0.00 0.00 33.47 32.17 1n5b s TRP 90 CO 0.02 -0.47 0.03 0.54 -4.06 0.00 0.00 176.95 173.02 1n5b s ASN 91 N -2.07 0.75 -0.09 -2.66 2.20 -0.71 0.39 114.94 112.75 1n5b s ASN 91 Ca -0.05 -1.20 -0.25 0.00 -0.94 0.00 0.00 52.86 50.42 1n5b s ASN 91 Cb -0.01 0.21 0.06 0.00 -2.00 0.00 0.00 41.25 39.51 1n5b s ASN 91 CO -0.04 -0.66 0.59 -0.60 -2.94 0.00 0.00 177.10 173.45 1n5b s ARG 92 N -3.99 0.89 0.04 3.55 3.52 -1.26 -2.06 118.95 119.64 1n5b s ARG 92 Ca 0.24 0.32 -0.18 0.00 -0.13 0.00 0.00 55.73 55.98 1n5b s ARG 92 Cb 0.07 0.42 0.04 0.00 -1.56 0.00 0.00 34.95 33.91 1n5b s ARG 92 CO 0.03 -0.24 0.42 1.14 -0.81 0.00 0.00 175.30 175.84 1n5b s GLN 93 N -0.82 0.91 0.11 5.12 -2.07 -1.12 -4.82 119.66 116.97 1n5b s GLN 93 Ca -0.09 -0.32 -0.34 0.00 -1.82 0.00 0.00 55.36 52.80 1n5b s GLN 93 Cb -0.02 0.41 -0.13 0.00 -1.09 0.00 0.00 33.01 32.17 1n5b s GLN 93 CO 0.06 -0.31 1.67 -2.30 -1.32 0.00 0.00 175.29 173.09 1n5b n PRO 94 N 0.58 2.24 0.04 9.60 -0.02 -1.26 -1.76 135.00 144.42 1n5b n PRO 94 Ca -0.19 0.81 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 1n5b n PRO 94 Cb 0.59 -2.61 0.42 0.00 -0.02 0.00 0.00 33.50 31.89 1n5b n PRO 94 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n5b n LEU 95 N 4.26 0.24 -2.06 2.45 7.94 0.12 -2.94 117.00 127.01 1n5b n LEU 95 Ca 0.18 0.55 -0.25 0.00 -1.11 0.00 0.00 56.01 55.38 1n5b n LEU 95 Cb 0.30 -0.50 0.13 0.00 0.53 0.00 0.00 43.42 43.88 1n5b n LEU 95 CO 0.66 -0.27 1.15 -0.46 -1.11 0.00 0.00 177.39 177.35 1n5b n ASN 96 N -1.75 5.05 -0.14 1.96 0.23 -1.26 -4.24 115.26 115.11 1n5b n ASN 96 Ca 0.04 -3.72 0.00 0.00 -0.53 0.00 0.00 54.58 50.37 1n5b n ASN 96 Cb 0.24 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.13 1n5b n ASN 96 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1n5b n ASN 97 N -1.02 0.00 -4.75 0.53 5.15 -1.15 -5.14 115.26 108.88 1n5b n ASN 97 Ca 0.55 -1.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.20 1n5b n ASN 97 Cb 1.14 -0.00 0.08 0.00 -0.53 0.00 0.00 39.78 40.47 1n5b n ASN 97 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1n5b s LEU 98 N 0.00 3.24 0.35 1.20 1.43 -1.25 -5.02 118.68 118.64 1n5b s LEU 98 Ca 0.00 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.23 1n5b s LEU 98 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 1n5b s LEU 98 CO 0.00 -2.05 0.15 -1.81 0.23 0.00 0.00 176.35 172.87 1n5b s ASP 99 N -2.58 2.15 0.00 2.29 1.01 -1.26 -4.98 116.67 113.30 1n5b s ASP 99 Ca 0.68 -1.61 0.00 0.00 0.71 0.00 0.00 52.55 52.33 1n5b s ASP 99 Cb -0.23 0.41 0.00 0.00 1.01 0.00 0.00 42.92 44.12 1n5b s ASP 99 CO 0.47 -0.90 1.35 -0.46 0.21 0.00 0.00 175.17 175.84 1n5b n ASN 100 N -1.12 3.64 0.00 0.27 6.94 -1.26 -2.11 115.26 121.62 1n5b n ASN 100 Ca -0.02 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 1n5b n ASN 100 Cb 0.65 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1n5b n ASN 100 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1n5b n ASN 101 N 1.47 0.00 -0.05 0.53 6.94 -1.26 -5.02 115.26 117.86 1n5b n ASN 101 Ca 0.00 -0.18 -0.01 0.00 -0.02 0.00 0.00 54.58 54.37 1n5b n ASN 101 Cb 0.37 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1n5b n ASN 101 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1n5b h SER 102 N 0.00 0.00 -0.98 0.53 0.02 -1.80 -2.53 113.55 108.79 1n5b h SER 102 Ca 0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 1n5b h SER 102 Cb 0.13 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.58 1n5b h SER 102 CO 0.00 0.54 0.61 -0.07 -1.14 0.00 0.00 176.83 176.77 1n5b h LEU 103 N -0.99 0.75 0.14 5.07 3.38 -1.97 0.76 115.31 122.44 1n5b h LEU 103 Ca 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1n5b h LEU 103 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1n5b h LEU 103 CO 0.00 0.32 -0.07 0.22 0.09 0.00 0.00 178.44 179.00 1n5b h TYR 104 N 0.76 -0.17 -0.15 1.13 5.03 -1.90 -2.30 116.97 119.36 1n5b h TYR 104 Ca 0.53 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.85 1n5b h TYR 104 Cb 0.83 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 1n5b h TYR 104 CO -0.00 0.15 0.10 1.15 -1.32 0.00 0.00 178.16 178.24 1n5b h THR 105 N -0.51 1.01 -0.06 1.81 2.02 -0.84 -0.87 112.91 115.47 1n5b h THR 105 Ca -0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1n5b h THR 105 Cb 0.40 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1n5b h THR 105 CO 0.03 0.03 -0.02 -0.61 0.37 0.00 0.00 175.52 175.32 1n5b h GLN 106 N 0.15 0.11 -0.69 6.66 4.15 -0.77 -0.72 115.11 124.00 1n5b h GLN 106 Ca 0.06 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1n5b h GLN 106 Cb 0.06 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1n5b h GLN 106 CO -0.01 0.48 0.27 1.25 -1.93 0.00 0.00 178.83 178.89 1n5b h LEU 107 N -0.26 0.96 -1.02 -2.39 5.85 -1.04 -1.30 115.31 116.11 1n5b h LEU 107 Ca 0.01 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1n5b h LEU 107 Cb 0.44 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1n5b h LEU 107 CO 0.01 0.88 0.06 -0.08 -0.34 0.00 0.00 178.44 178.96 1n5b h GLU 108 N 0.99 0.76 -0.36 1.25 4.81 -1.12 -0.90 114.58 120.02 1n5b h GLU 108 Ca 0.23 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1n5b h GLU 108 Cb 0.22 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1n5b h GLU 108 CO -0.02 0.73 -0.42 0.52 -0.73 0.00 0.00 179.01 179.09 1n5b h MET 109 N 0.72 0.91 -0.01 1.92 2.86 -0.81 -1.22 114.93 119.30 1n5b h MET 109 Ca 0.15 -0.50 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1n5b h MET 109 Cb 0.36 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1n5b h MET 109 CO 0.01 1.15 0.00 1.25 1.06 0.00 0.00 176.91 180.38 1n5b h LEU 110 N 0.73 0.02 -0.53 1.22 5.85 -0.87 -1.30 115.31 120.43 1n5b h LEU 110 Ca 0.05 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1n5b h LEU 110 Cb 1.02 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1n5b h LEU 110 CO 0.10 0.22 0.23 0.58 -0.34 0.00 0.00 178.44 179.22 1n5b h VAL 111 N -0.18 1.21 -0.28 1.05 2.07 -1.17 -1.04 116.25 117.90 1n5b h VAL 111 Ca 0.00 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1n5b h VAL 111 Cb 0.21 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1n5b h VAL 111 CO -0.00 0.25 -0.03 1.56 0.02 0.00 0.00 177.57 179.37 1n5b h GLN 112 N 0.72 0.43 -0.49 1.57 4.20 -1.21 0.68 115.11 121.01 1n5b h GLN 112 Ca 0.18 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1n5b h GLN 112 Cb 0.18 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1n5b h GLN 112 CO -0.02 0.48 -0.15 0.78 -0.67 0.00 0.00 178.83 179.26 1n5b h GLY 113 N 0.78 1.03 1.38 3.46 0.00 -0.68 -2.73 103.07 106.32 1n5b h GLY 113 Ca 0.09 -0.85 -0.20 0.00 0.00 0.00 0.00 47.33 46.36 1n5b h GLY 113 CO 0.01 0.78 -0.75 0.00 0.00 0.00 0.00 176.54 176.57 1n5b h ALA 114 N 0.98 0.45 -0.90 3.60 0.00 -0.47 -3.04 119.26 119.88 1n5b h ALA 114 Ca 0.12 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1n5b h ALA 114 Cb 0.70 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1n5b h ALA 114 CO 0.05 0.72 0.59 0.93 0.00 0.00 0.00 179.25 181.54 1n5b h GLU 115 N 0.41 1.19 0.00 0.00 5.08 -0.85 -2.25 114.58 118.16 1n5b h GLU 115 Ca -0.04 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1n5b h GLU 115 Cb 1.36 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1n5b h GLU 115 CO 0.14 0.80 -0.53 0.00 -1.00 0.00 0.00 179.01 178.42 1n5b h ARG 116 N 1.23 0.00 0.00 2.33 3.08 -1.48 -3.04 114.38 116.50 1n5b h ARG 116 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1n5b h ARG 116 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1n5b h ARG 116 CO -0.07 0.53 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.13 1n5b h LEU 117 N 0.00 0.00-10.09 3.04 3.38 -1.35 -3.46 115.31 106.83 1n5b h LEU 117 Ca -0.01 -0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.50 1n5b h LEU 117 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1n5b h LEU 117 CO 0.07 0.01 0.35 -1.58 0.09 0.00 0.00 178.44 177.38 1n5b s GLN 118 N -3.21 4.09 -0.28 1.13 0.74 -0.88 -4.65 119.66 116.59 1n5b s GLN 118 Ca 0.07 1.12 -0.01 0.00 0.05 0.00 0.00 55.36 56.59 1n5b s GLN 118 Cb 0.07 -2.16 0.09 0.00 1.10 0.00 0.00 33.01 32.12 1n5b s GLN 118 CO 0.68 -0.16 0.07 0.99 -0.55 0.00 0.00 175.29 176.32 1n5b s THR 119 N -2.25 0.87 -0.05 -0.34 2.01 -1.26 -5.00 115.64 109.61 1n5b s THR 119 Ca 0.62 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 1n5b s THR 119 Cb -0.10 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1n5b s THR 119 CO 0.18 -0.54 0.14 -0.44 -0.69 0.00 0.00 174.62 173.27 1n5b s SER 120 N 1.64 6.21 0.63 3.53 0.01 -1.26 -5.09 113.70 119.38 1n5b s SER 120 Ca 0.07 0.35 -0.16 0.00 1.31 0.00 0.00 55.95 57.51 1n5b s SER 120 Cb -0.17 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 1n5b s SER 120 CO -0.20 0.32 1.11 -0.44 0.41 0.00 0.00 173.24 174.44 1n5b s SER 121 N -1.53 5.28 0.19 2.44 0.01 -1.26 -4.92 113.70 113.90 1n5b s SER 121 Ca 0.22 2.04 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 1n5b s SER 121 Cb -0.12 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.66 1n5b s SER 121 CO 0.12 -1.52 1.78 0.25 0.41 0.00 0.00 173.24 174.28 1n5b h LEU 122 N 0.33 0.86 -7.45 2.44 5.85 -2.07 -3.39 115.31 111.87 1n5b h LEU 122 Ca -0.48 -0.13 -0.50 0.00 0.84 0.00 0.00 57.88 57.62 1n5b h LEU 122 Cb 1.25 -0.22 -0.39 0.00 0.37 0.00 0.00 40.66 41.67 1n5b h LEU 122 CO 0.55 0.74 -0.77 -0.63 -0.34 0.00 0.00 178.44 177.98 1n5b s ILE 123 N -5.73 0.64 -0.23 4.05 1.01 -1.26 -5.11 121.20 114.56 1n5b s ILE 123 Ca -0.13 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 1n5b s ILE 123 Cb 0.14 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1n5b s ILE 123 CO 0.79 0.07 1.26 -0.44 0.00 0.00 0.00 174.94 176.63 1n5b s SER 124 N 1.84 6.83 0.62 3.58 0.01 -1.26 -5.02 113.70 120.30 1n5b s SER 124 Ca 0.02 1.44 -0.11 0.00 1.31 0.00 0.00 55.95 58.61 1n5b s SER 124 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1n5b s SER 124 CO -0.07 -0.90 1.03 -2.16 0.41 0.00 0.00 173.24 171.55 1n5b s PRO 125 N 3.79 3.55 0.04 12.44 0.04 -1.26 -5.01 135.00 148.60 1n5b s PRO 125 Ca 0.55 0.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 1n5b s PRO 125 Cb -0.19 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1n5b s PRO 125 CO 0.18 -0.60 1.31 -1.25 0.04 0.00 0.00 177.00 176.68 1n5b s PRO 126 N -5.19 4.35 -0.07 0.56 0.04 -1.26 -5.02 135.00 128.40 1n5b s PRO 126 Ca 0.55 1.90 0.03 0.00 0.04 0.00 0.00 61.00 63.52 1n5b s PRO 126 Cb -0.11 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 1n5b s PRO 126 CO 0.54 -0.42 -0.14 1.03 0.04 0.00 0.00 177.00 178.04 1n5b s ARG 127 N 1.61 2.77 0.96 4.56 0.52 -1.26 -5.12 118.95 122.99 1n5b s ARG 127 Ca 0.62 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 54.99 1n5b s ARG 127 Cb -0.31 -2.45 0.17 0.00 0.52 0.00 0.00 34.95 32.87 1n5b s ARG 127 CO 0.28 0.50 1.16 -1.54 0.02 0.00 0.00 175.30 175.71 1n5b s SER 128 N -0.39 3.11 0.01 0.23 1.04 -1.26 -5.08 113.70 111.36 1n5b s SER 128 Ca 0.04 0.82 -0.28 0.00 0.48 0.00 0.00 55.95 57.02 1n5b s SER 128 Cb -0.12 -1.27 0.09 0.00 0.10 0.00 0.00 66.02 64.81 1n5b s SER 128 CO 0.02 -2.79 1.25 0.72 0.98 0.00 0.00 173.24 173.43 1n5b s PHE 129 N -3.33 0.03 -1.66 5.02 -0.12 -1.26 -5.32 117.98 111.35 1n5b s PHE 129 Ca 0.66 -0.19 0.13 0.00 -0.05 0.00 0.00 56.93 57.48 1n5b s PHE 129 Cb -0.13 0.58 0.11 0.00 -0.63 0.00 0.00 43.02 42.95 1n5b s PHE 129 CO 0.54 -0.36 0.92 0.43 -0.05 0.00 0.00 175.22 176.70