#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 1.01 -0.59 0.66 3.57 -2.01 -2.33 116.94 117.25 1n5b h PHE 4 Ca 0.00 -0.23 -0.07 0.00 3.53 0.00 0.00 57.97 61.20 1n5b h PHE 4 Cb 0.00 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1n5b h PHE 4 CO 0.00 1.01 0.09 0.93 -2.23 0.00 0.00 178.31 178.11 1n5b h GLU 5 N 0.73 0.95 0.00 1.11 3.07 -1.98 0.11 114.58 118.57 1n5b h GLU 5 Ca 0.11 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1n5b h GLU 5 Cb 0.71 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1n5b h GLU 5 CO 0.05 0.89 -0.00 0.37 -1.40 0.00 0.00 179.01 178.92 1n5b h GLN 6 N 0.90 0.00 0.04 2.33 4.15 -1.93 0.25 115.11 120.84 1n5b h GLN 6 Ca 0.18 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.24 1n5b h GLN 6 Cb 0.41 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 1n5b h GLN 6 CO 0.01 0.00 -2.04 0.00 -1.93 0.00 0.00 178.83 174.87 1n5b n ALA 7 N -2.08 1.05 0.03 3.38 0.00 -0.51 -3.90 120.51 118.47 1n5b n ALA 7 Ca -0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 1n5b n ALA 7 Cb 0.14 -0.35 0.15 0.00 0.00 0.00 0.00 19.45 19.39 1n5b n ALA 7 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1n5b h ILE 8 N -0.44 1.30 0.03 0.00 1.08 -0.53 -2.32 117.51 116.63 1n5b h ILE 8 Ca -0.50 -1.54 -0.00 0.00 -0.39 0.00 0.00 64.86 62.43 1n5b h ILE 8 Cb 1.73 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 1n5b h ILE 8 CO -0.14 0.48 -0.01 0.74 -0.69 0.00 0.00 178.15 178.53 1n5b h THR 9 N 0.38 1.05 0.24 -0.27 2.02 -0.72 -1.85 112.91 113.75 1n5b h THR 9 Ca 0.04 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1n5b h THR 9 Cb 0.86 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1n5b h THR 9 CO 0.07 0.06 -0.16 -0.61 0.37 0.00 0.00 175.52 175.25 1n5b h GLN 10 N -0.13 -0.38 -0.29 6.66 4.15 -1.66 -2.29 115.11 121.17 1n5b h GLN 10 Ca -0.00 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.49 1n5b h GLN 10 Cb 0.12 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1n5b h GLN 10 CO 0.01 -0.26 -0.00 1.25 -1.93 0.00 0.00 178.83 177.90 1n5b h LEU 11 N -0.40 -0.12 -2.03 -2.39 5.85 -1.42 -0.22 115.31 114.59 1n5b h LEU 11 Ca -0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1n5b h LEU 11 Cb 0.34 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1n5b h LEU 11 CO 0.01 -0.03 0.05 -0.26 -0.34 0.00 0.00 178.44 177.87 1n5b h PHE 12 N 0.08 0.00 0.01 1.25 -1.00 -1.25 -1.70 116.94 114.33 1n5b h PHE 12 Ca 0.14 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 1n5b h PHE 12 Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1n5b h PHE 12 CO -0.22 0.00 -0.01 1.96 -1.61 0.00 0.00 178.31 178.44 1n5b h GLN 13 N 0.00 -0.01 0.00 1.51 4.20 -0.68 0.84 115.11 120.97 1n5b h GLN 13 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1n5b h GLN 13 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1n5b h GLN 13 CO -0.00 0.68 0.19 1.96 -0.67 0.00 0.00 178.83 180.99 1n5b h GLN 14 N -0.74 0.00 -0.01 1.46 4.20 -0.44 0.27 115.11 119.85 1n5b h GLN 14 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n5b h GLN 14 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1n5b h GLN 14 CO 0.00 0.00 -0.31 1.28 -0.67 0.00 0.00 178.83 179.13 1n5b n LEU 15 N -2.94 1.89 -2.25 1.46 4.77 -0.70 -5.00 117.00 114.23 1n5b n LEU 15 Ca -0.02 -0.80 -0.06 0.00 -0.03 0.00 0.00 56.01 55.09 1n5b n LEU 15 Cb 0.25 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1n5b n LEU 15 CO 0.16 0.35 0.03 -1.20 -1.33 0.00 0.00 177.39 175.40 1n5b n SER 16 N 0.11 -4.07 -3.83 -1.43 7.64 0.95 -5.07 113.62 107.93 1n5b n SER 16 Ca 0.08 -0.28 -0.22 0.00 1.01 0.00 0.00 58.87 59.47 1n5b n SER 16 Cb 0.39 -2.57 -0.17 0.00 -1.01 0.00 0.00 64.21 60.85 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 -3.91 0.95 0.27 -3.43 1.43 0.29 -5.01 118.68 109.27 1n5b s LEU 17 Ca 0.18 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1n5b s LEU 17 Cb -0.02 -0.46 -0.13 0.00 0.03 0.00 0.00 46.19 45.61 1n5b s LEU 17 CO 0.32 -0.13 1.44 -1.20 0.23 0.00 0.00 176.35 177.01 1n5b n SER 18 N 4.65 3.08 -4.61 2.29 7.64 -1.26 -4.19 113.62 121.22 1n5b n SER 18 Ca -0.15 1.16 -0.43 0.00 1.01 0.00 0.00 58.87 60.45 1n5b n SER 18 Cb 0.50 -1.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 1n5b n SER 18 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1n5b s ILE 19 N -0.22 4.30 0.33 0.44 1.09 -1.26 -5.00 121.20 120.88 1n5b s ILE 19 Ca 0.65 1.31 -0.28 0.00 -1.10 0.00 0.00 60.65 61.22 1n5b s ILE 19 Cb -0.59 -4.54 -0.12 0.00 -1.06 0.00 0.00 42.46 36.14 1n5b s ILE 19 CO 0.52 -0.86 1.31 -2.65 -0.10 0.00 0.00 174.94 173.16 1n5b n PRO 20 N 7.54 2.14 0.04 2.79 -0.02 -1.26 -4.84 135.00 141.39 1n5b n PRO 20 Ca 0.11 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.45 1n5b n PRO 20 Cb 0.48 -2.35 0.44 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.95 0.26 -3.67 2.55 4.64 -1.26 -4.01 116.55 116.01 1n5b n ASP 21 Ca 0.05 0.55 -0.29 0.00 -1.38 0.00 0.00 54.79 53.72 1n5b n ASP 21 Cb 0.36 -0.61 -0.12 0.00 -1.04 0.00 0.00 41.12 39.70 1n5b n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1n5b s THR 22 N -3.08 1.30 -0.50 5.18 2.01 -1.26 -5.09 115.64 114.20 1n5b s THR 22 Ca 0.09 -2.67 -0.29 0.00 0.31 0.00 0.00 61.69 59.13 1n5b s THR 22 Cb 0.12 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.76 1n5b s THR 22 CO 0.41 -0.96 1.19 -0.63 -0.69 0.00 0.00 174.62 173.94 1n5b s ILE 23 N 0.19 4.11 1.05 1.82 1.01 -1.26 -5.02 121.20 123.10 1n5b s ILE 23 Ca 0.20 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.83 1n5b s ILE 23 Cb -0.18 -4.59 0.22 0.00 0.01 0.00 0.00 42.46 37.92 1n5b s ILE 23 CO -0.04 -1.08 1.07 -1.61 0.00 0.00 0.00 174.94 173.29 1n5b s GLU 24 N 4.68 -0.01 0.22 2.79 8.01 -1.26 -4.93 118.70 128.19 1n5b s GLU 24 Ca 0.48 1.01 -0.07 0.00 0.01 0.00 0.00 54.97 56.41 1n5b s GLU 24 Cb -0.08 -1.65 0.18 0.00 -4.31 0.00 0.00 34.13 28.27 1n5b s GLU 24 CO 0.30 -3.17 1.76 -1.00 0.01 0.00 0.00 175.26 173.17 1n5b h PRO 25 N -2.23 1.13 -5.14 0.39 0.13 -1.95 -3.40 132.00 120.93 1n5b h PRO 25 Ca -0.54 -0.24 -0.65 0.00 -0.87 0.00 0.00 66.00 63.70 1n5b h PRO 25 Cb 1.31 -0.17 -0.24 0.00 0.13 0.00 0.00 31.00 32.03 1n5b h PRO 25 CO 0.49 0.96 -0.69 0.08 -0.23 0.00 0.00 178.00 178.61 1n5b s VAL 26 N -5.41 3.69 -0.04 1.56 1.01 -1.26 -4.29 120.40 115.66 1n5b s VAL 26 Ca -0.12 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1n5b s VAL 26 Cb 0.15 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1n5b s VAL 26 CO 0.84 0.45 -0.05 -0.63 0.00 0.00 0.00 175.10 175.71 1n5b s ILE 27 N 0.93 3.83 -0.07 2.22 1.01 0.20 -4.92 121.20 124.40 1n5b s ILE 27 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1n5b s ILE 27 Cb -0.15 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1n5b s ILE 27 CO 0.01 0.51 -0.03 -0.83 0.00 0.00 0.00 174.94 174.61 1n5b s GLY 28 N -1.08 1.79 -0.22 6.18 0.00 -1.26 0.54 107.32 113.27 1n5b s GLY 28 Ca 0.15 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1n5b s GLY 28 CO 0.04 -0.64 0.25 0.14 0.00 0.00 0.00 173.10 172.90 1n5b s VAL 29 N -0.88 -0.38 -0.37 1.40 1.01 0.11 -5.00 120.40 116.29 1n5b s VAL 29 Ca 0.14 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 1n5b s VAL 29 Cb -0.11 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1n5b s VAL 29 CO 0.03 -0.21 0.80 -1.59 0.00 0.00 0.00 175.10 174.13 1n5b s LYS 30 N 2.37 3.73 -0.30 2.72 -2.85 -1.26 -0.86 119.74 123.29 1n5b s LYS 30 Ca 0.08 0.31 -0.00 0.00 -1.00 0.00 0.00 55.97 55.35 1n5b s LYS 30 Cb -0.16 -3.82 0.06 0.00 -2.06 0.00 0.00 37.83 31.85 1n5b s LYS 30 CO -0.14 -0.89 -0.01 0.08 0.10 0.00 0.00 175.35 174.48 1n5b s VAL 31 N 3.17 2.75 0.00 1.79 1.01 -0.27 -4.97 120.40 123.88 1n5b s VAL 31 Ca 0.32 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1n5b s VAL 31 Cb -0.13 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1n5b s VAL 31 CO 0.18 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1n5b n GLY 32 N 4.55 2.67 0.50 4.51 0.00 -1.26 -1.98 105.19 114.18 1n5b n GLY 32 Ca -0.12 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.75 1n5b n GLY 32 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1n5b n GLU 33 N 9.93 1.84 -3.82 1.61 0.28 -1.26 -4.94 120.64 124.29 1n5b n GLU 33 Ca 0.00 -1.62 -0.36 0.00 -0.16 0.00 0.00 57.16 55.02 1n5b n GLU 33 Cb 0.00 -1.22 -0.13 0.00 1.43 0.00 0.00 31.44 31.52 1n5b n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1n5b s PHE 34 N -0.93 3.06 -0.38 -1.84 0.40 -0.84 -5.07 117.98 112.38 1n5b s PHE 34 Ca 0.17 -0.79 -0.23 0.00 -0.60 0.00 0.00 56.93 55.48 1n5b s PHE 34 Cb 0.10 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.45 1n5b s PHE 34 CO 0.13 -0.50 0.75 0.00 0.70 0.00 0.00 175.22 176.31 1n5b s ALA 35 N 1.53 3.41 -0.08 5.36 0.00 -1.26 -1.11 121.76 129.61 1n5b s ALA 35 Ca 0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1n5b s ALA 35 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1n5b s ALA 35 CO 0.01 -1.52 0.23 0.00 0.00 0.00 0.00 175.76 174.47 1n5b s HIS 37 N -1.03 2.85 -0.06 0.00 3.76 0.16 -0.72 115.29 120.25 1n5b s HIS 37 Ca 0.18 -0.92 0.02 0.00 -0.15 0.00 0.00 55.06 54.19 1n5b s HIS 37 Cb -0.14 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1n5b s HIS 37 CO 0.07 -0.43 -0.10 0.42 -0.85 0.00 0.00 174.74 173.85 1n5b s ILE 38 N 0.90 3.45 0.05 0.60 1.01 0.19 -1.55 121.20 125.84 1n5b s ILE 38 Ca -0.03 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.77 1n5b s ILE 38 Cb -0.15 -2.39 0.09 0.00 0.01 0.00 0.00 42.46 40.02 1n5b s ILE 38 CO -0.00 0.59 0.95 0.28 0.00 0.00 0.00 174.94 176.76 1n5b s THR 39 N -0.73 0.00 -0.28 2.92 -1.32 -0.32 0.60 115.64 116.51 1n5b s THR 39 Ca 0.11 -0.26 -0.14 0.00 -1.21 0.00 0.00 61.69 60.19 1n5b s THR 39 Cb -0.11 -1.42 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1n5b s THR 39 CO 0.01 0.00 0.35 -0.70 -2.21 0.00 0.00 174.62 172.07 1n5b s GLU 40 N -3.11 3.97 -0.30 7.08 2.12 -1.26 0.27 118.70 127.46 1n5b s GLU 40 Ca 0.08 -0.04 -0.17 0.00 0.36 0.00 0.00 54.97 55.21 1n5b s GLU 40 Cb -0.01 -3.67 0.18 0.00 0.26 0.00 0.00 34.13 30.89 1n5b s GLU 40 CO -0.04 -0.29 1.13 -1.58 -0.54 0.00 0.00 175.26 173.94 1n5b s HIS 41 N 2.03 -0.39 0.98 5.30 2.46 0.20 -4.64 115.29 121.22 1n5b s HIS 41 Ca 0.14 0.64 -0.16 0.00 0.47 0.00 0.00 55.06 56.14 1n5b s HIS 41 Cb -0.16 0.22 0.24 0.00 -0.13 0.00 0.00 32.58 32.75 1n5b s HIS 41 CO 0.10 -0.20 0.94 -0.35 -2.47 0.00 0.00 174.74 172.77 1n5b n PRO 42 N 4.87 -2.45 -1.61 2.88 -0.04 -1.26 -4.51 135.00 132.87 1n5b n PRO 42 Ca -0.08 -1.50 -0.49 0.00 -0.04 0.00 0.00 63.50 61.39 1n5b n PRO 42 Cb 0.54 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 1n5b n PRO 42 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n5b n VAL 43 N -4.28 0.37 -0.57 0.52 0.31 -1.26 -1.30 118.33 112.11 1n5b n VAL 43 Ca 0.13 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1n5b n VAL 43 Cb 0.49 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 1n5b n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n5b n GLY 44 N 2.52 0.71 2.96 2.92 0.00 -1.26 -5.05 105.19 107.98 1n5b n GLY 44 Ca 0.16 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.44 0.52 -0.30 1.61 -1.52 -0.42 -2.75 119.66 116.36 1n5b s GLN 45 Ca 0.00 -0.19 -0.11 0.00 -1.95 0.00 0.00 55.36 53.10 1n5b s GLN 45 Cb 0.00 -0.51 -0.03 0.00 -0.22 0.00 0.00 33.01 32.25 1n5b s GLN 45 CO 0.00 0.10 0.19 -1.50 -0.25 0.00 0.00 175.29 173.83 1n5b s ILE 46 N 0.01 5.09 -0.14 1.08 1.10 -0.17 -0.63 121.20 127.53 1n5b s ILE 46 Ca 0.00 -0.10 -0.03 0.00 -0.51 0.00 0.00 60.65 60.02 1n5b s ILE 46 Cb -0.04 -3.52 -0.03 0.00 0.15 0.00 0.00 42.46 39.02 1n5b s ILE 46 CO -0.00 0.13 -0.05 -0.22 -2.11 0.00 0.00 174.94 172.69 1n5b s LEU 47 N 1.71 3.18 -0.04 8.50 2.96 0.14 -2.38 118.68 132.74 1n5b s LEU 47 Ca 0.06 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1n5b s LEU 47 Cb -0.17 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1n5b s LEU 47 CO 0.09 0.20 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.13 1n5b s MET 48 N 0.20 1.59 0.12 1.98 -1.94 -0.84 -1.18 119.30 119.23 1n5b s MET 48 Ca -0.03 -0.51 -0.12 0.00 -1.71 0.00 0.00 55.69 53.32 1n5b s MET 48 Cb -0.14 -1.38 0.01 0.00 2.01 0.00 0.00 34.83 35.34 1n5b s MET 48 CO 0.03 0.18 0.31 -0.59 -0.01 0.00 0.00 175.02 174.94 1n5b s PHE 49 N 0.18 0.02 0.10 -0.03 -0.12 -0.60 -1.64 117.98 115.89 1n5b s PHE 49 Ca -0.06 -0.39 -0.09 0.00 -0.05 0.00 0.00 56.93 56.34 1n5b s PHE 49 Cb -0.12 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 1n5b s PHE 49 CO 0.02 -0.66 0.22 -0.08 -0.05 0.00 0.00 175.22 174.67 1n5b s THR 50 N -3.85 0.13 -0.57 -4.49 -1.32 -0.39 -0.67 115.64 104.48 1n5b s THR 50 Ca 0.06 -1.15 -0.05 0.00 -1.21 0.00 0.00 61.69 59.34 1n5b s THR 50 Cb 0.03 -1.39 0.15 0.00 -1.51 0.00 0.00 72.50 69.78 1n5b s THR 50 CO -0.09 -0.58 0.40 -0.76 -2.21 0.00 0.00 174.62 171.37 1n5b s LEU 51 N -2.87 5.43 0.63 9.08 2.01 -1.26 -1.39 118.68 130.31 1n5b s LEU 51 Ca 0.06 -2.51 -0.11 0.00 0.01 0.00 0.00 54.13 51.58 1n5b s LEU 51 Cb 0.04 -1.90 -0.03 0.00 0.01 0.00 0.00 46.19 44.31 1n5b s LEU 51 CO -0.10 -0.47 1.04 -2.16 1.01 0.00 0.00 176.35 175.67 1n5b s PRO 52 N 0.44 3.49 -0.33 1.29 0.04 -1.26 -4.95 135.00 133.72 1n5b s PRO 52 Ca 0.13 0.72 -0.06 0.00 0.04 0.00 0.00 61.00 61.84 1n5b s PRO 52 Cb -0.21 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1n5b s PRO 52 CO -0.04 -0.64 0.09 -1.12 0.04 0.00 0.00 177.00 175.33 1n5b s SER 53 N -4.19 5.25 1.01 6.66 0.01 -1.26 -4.56 113.70 116.63 1n5b s SER 53 Ca 0.55 -1.16 -0.13 0.00 1.31 0.00 0.00 55.95 56.53 1n5b s SER 53 Cb -0.11 -1.84 0.18 0.00 0.21 0.00 0.00 66.02 64.45 1n5b s SER 53 CO 0.54 -0.32 1.00 0.18 0.41 0.00 0.00 173.24 175.05 1n5b n LEU 54 N 4.78 0.00 -2.58 2.44 4.77 -1.26 -3.79 117.00 121.36 1n5b n LEU 54 Ca -0.13 -1.10 -0.32 0.00 -0.03 0.00 0.00 56.01 54.44 1n5b n LEU 54 Cb 0.44 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1n5b n LEU 54 CO 0.31 -1.27 0.75 -0.90 -1.33 0.00 0.00 177.39 174.95 1n5b n ASP 55 N -3.71 5.93 0.00 -1.43 5.75 -1.26 -4.87 116.55 116.95 1n5b n ASP 55 Ca 0.13 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.14 1n5b n ASP 55 Cb 0.44 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1n5b n ASP 55 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1n5b n ASN 56 N -0.55 0.00 -4.54 -1.12 4.05 -1.26 -4.44 115.26 107.40 1n5b n ASN 56 Ca 0.46 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 55.35 1n5b n ASN 56 Cb 0.54 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.45 1n5b n ASN 56 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1n5b n ASN 57 N 0.00 1.07 -3.70 1.20 5.15 -1.26 -4.83 115.26 112.88 1n5b n ASN 57 Ca 0.00 -1.43 -0.11 0.00 -0.60 0.00 0.00 54.58 52.44 1n5b n ASN 57 Cb 0.00 -1.44 -0.10 0.00 -0.53 0.00 0.00 39.78 37.71 1n5b n ASN 57 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1n5b s ASN 58 N 8.41 -0.52 0.39 1.20 0.01 -1.26 -5.15 114.94 118.03 1n5b s ASN 58 Ca 0.96 0.92 -0.25 0.00 -0.71 0.00 0.00 52.86 53.78 1n5b s ASN 58 Cb -0.25 0.83 -0.09 0.00 0.41 0.00 0.00 41.25 42.16 1n5b s ASN 58 CO 0.18 -0.18 1.13 -1.61 -1.51 0.00 0.00 177.10 175.11 1n5b s GLU 59 N 1.07 4.11 0.29 -0.60 2.02 -1.26 -4.92 118.70 119.40 1n5b s GLU 59 Ca -0.07 1.74 0.02 0.00 0.02 0.00 0.00 54.97 56.69 1n5b s GLU 59 Cb -0.07 -2.66 0.57 0.00 0.10 0.00 0.00 34.13 32.07 1n5b s GLU 59 CO -0.09 -0.25 1.84 1.57 0.02 0.00 0.00 175.26 178.36 1n5b h LYS 60 N 2.65 0.95 -0.36 1.61 2.10 -2.00 -1.68 116.57 119.84 1n5b h LYS 60 Ca -0.48 -0.06 -0.04 0.00 -2.00 0.00 0.00 60.65 58.07 1n5b h LYS 60 Cb 1.23 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 1n5b h LYS 60 CO 0.63 0.63 0.06 0.93 -2.00 0.00 0.00 179.45 179.69 1n5b h GLU 61 N 0.98 0.54 -0.43 0.07 3.07 -1.98 -0.21 114.58 116.62 1n5b h GLU 61 Ca 0.49 -0.10 -0.15 0.00 -0.50 0.00 0.00 59.36 59.10 1n5b h GLU 61 Cb 0.49 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1n5b h GLU 61 CO -0.25 0.52 -0.31 1.15 -1.40 0.00 0.00 179.01 178.72 1n5b h THR 62 N 0.52 1.27 -0.27 1.13 2.02 -1.69 -0.19 112.91 115.70 1n5b h THR 62 Ca 0.12 -1.48 -0.13 0.00 0.77 0.00 0.00 66.41 65.69 1n5b h THR 62 Cb 0.25 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1n5b h THR 62 CO 0.00 0.50 -0.33 -0.07 0.37 0.00 0.00 175.52 175.99 1n5b h LEU 63 N 0.80 0.76 -1.34 2.58 3.38 -1.13 -3.08 115.31 117.27 1n5b h LEU 63 Ca 0.08 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1n5b h LEU 63 Cb 0.90 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1n5b h LEU 63 CO 0.08 1.10 -0.26 -0.07 0.09 0.00 0.00 178.44 179.38 1n5b h LEU 64 N 0.43 0.00 -2.26 1.67 3.38 -0.96 -2.58 115.31 114.99 1n5b h LEU 64 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n5b h LEU 64 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1n5b h LEU 64 CO 0.08 0.26 0.01 0.28 0.09 0.00 0.00 178.44 179.16 1n5b h SER 65 N 0.00 0.00 0.58 -0.43 0.02 -0.93 -0.60 113.55 112.19 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 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1n5b h SER 65 CO 0.03 0.00 0.00 0.45 -1.14 0.00 0.00 176.83 176.17 1n5b h HIS 66 N 0.00 0.00 -0.19 3.45 3.86 -1.54 -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 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 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 -2.78 2.89 -4.76 2.45 3.02 -0.23 -4.84 115.26 111.01 1n5b n ASN 67 Ca -0.00 -1.92 -0.38 0.00 -0.03 0.00 0.00 54.58 52.25 1n5b n ASN 67 Cb 0.20 -0.11 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1n5b n ASN 67 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1n5b s ILE 68 N -1.77 2.28 0.71 2.41 1.10 -1.19 -4.96 121.20 119.78 1n5b s ILE 68 Ca 0.34 0.22 -0.15 0.00 -0.51 0.00 0.00 60.65 60.55 1n5b s ILE 68 Cb 0.21 -3.11 0.03 0.00 0.15 0.00 0.00 42.46 39.73 1n5b s ILE 68 CO 0.31 0.00 1.17 0.72 -2.11 0.00 0.00 174.94 175.03 1n5b s PHE 69 N -1.34 2.25 0.13 3.50 -0.12 -1.26 -5.04 117.98 116.10 1n5b s PHE 69 Ca 0.69 1.59 0.00 0.00 -0.05 0.00 0.00 56.93 59.16 1n5b s PHE 69 Cb -0.38 -3.36 -0.00 0.00 -0.63 0.00 0.00 43.02 38.65 1n5b s PHE 69 CO 0.46 -2.27 0.16 -1.13 -0.05 0.00 0.00 175.22 172.39 1n5b n SER 70 N -2.63 -0.44 -0.02 1.98 3.41 -1.26 -5.03 113.62 109.63 1n5b n SER 70 Ca 0.12 -1.75 0.14 0.00 -0.26 0.00 0.00 58.87 57.12 1n5b n SER 70 Cb 0.51 0.86 0.59 0.00 -0.26 0.00 0.00 64.21 65.91 1n5b n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n5b n GLN 71 N -0.23 0.19 -3.49 4.33 10.64 -1.26 -4.62 117.38 122.94 1n5b n GLN 71 Ca 0.01 -0.03 -0.42 0.00 -1.83 0.00 0.00 57.00 54.72 1n5b n GLN 71 Cb 0.22 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.00 1n5b n GLN 71 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1n5b s ASP 72 N -2.84 6.00 0.08 2.61 -1.08 -1.26 -4.93 116.67 115.25 1n5b s ASP 72 Ca 0.19 -1.00 0.13 0.00 -0.52 0.00 0.00 52.55 51.34 1n5b s ASP 72 Cb 0.19 -2.12 0.57 0.00 -1.46 0.00 0.00 42.92 40.10 1n5b s ASP 72 CO 0.53 -0.46 1.40 2.30 0.52 0.00 0.00 175.17 179.46 1n5b n ILE 73 N 5.11 1.26 1.22 4.11 -5.35 -1.26 -2.22 119.36 122.23 1n5b n ILE 73 Ca -0.11 0.37 0.13 0.00 -0.27 0.00 0.00 62.75 62.87 1n5b n ILE 73 Cb 0.46 -1.25 0.28 0.00 -1.74 0.00 0.00 39.64 37.39 1n5b n ILE 73 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1n5b n LEU 74 N -1.71 2.29 -4.69 7.28 4.77 -1.26 -4.72 117.00 118.96 1n5b n LEU 74 Ca 0.02 -0.76 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 1n5b n LEU 74 Cb 0.12 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1n5b n LEU 74 CO 0.10 0.38 1.49 -0.75 -1.33 0.00 0.00 177.39 177.28 1n5b s LYS 75 N -2.03 4.14 0.58 3.23 2.20 -0.94 -4.61 119.74 122.32 1n5b s LYS 75 Ca 0.32 2.58 -0.18 0.00 -0.36 0.00 0.00 55.97 58.33 1n5b s LYS 75 Cb 0.20 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1n5b s LYS 75 CO 0.33 -0.86 1.13 -1.25 -0.36 0.00 0.00 175.35 174.34 1n5b s PRO 76 N 3.05 3.14 -0.17 4.03 0.04 -1.26 -4.88 135.00 138.96 1n5b s PRO 76 Ca 0.82 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 1n5b s PRO 76 Cb -0.45 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1n5b s PRO 76 CO 0.37 -1.01 0.18 0.42 0.04 0.00 0.00 177.00 177.00 1n5b s ILE 77 N -1.95 5.39 -0.11 0.56 -1.09 0.13 -4.81 121.20 119.33 1n5b s ILE 77 Ca 0.71 0.30 -0.17 0.00 -2.23 0.00 0.00 60.65 59.26 1n5b s ILE 77 Cb -0.23 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1n5b s ILE 77 CO 0.32 0.47 0.43 -0.22 -1.23 0.00 0.00 174.94 174.71 1n5b s LEU 78 N 0.09 4.29 0.00 2.97 2.96 -1.26 -1.21 118.68 126.52 1n5b s LEU 78 Ca 0.12 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1n5b s LEU 78 Cb -0.12 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.95 1n5b s LEU 78 CO 0.01 0.06 0.19 -1.54 -1.32 0.00 0.00 176.35 173.75 1n5b n SER 79 N 3.44 -0.52 -3.98 3.68 3.41 0.10 -4.98 113.62 114.77 1n5b n SER 79 Ca -0.09 -1.75 -0.24 0.00 -0.26 0.00 0.00 58.87 56.54 1n5b n SER 79 Cb 0.52 0.99 -0.17 0.00 -0.26 0.00 0.00 64.21 65.29 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 -4.12 1.28 -0.91 7.33 -0.11 -1.26 0.24 118.94 121.39 1n5b s TRP 80 Ca 0.12 -0.48 -0.22 0.00 1.22 0.00 0.00 56.10 56.74 1n5b s TRP 80 Cb -0.00 -0.99 0.08 0.00 -1.50 0.00 0.00 33.47 31.06 1n5b s TRP 80 CO 0.08 -0.28 1.25 0.34 -4.62 0.00 0.00 176.95 173.71 1n5b s ASP 81 N 0.86 6.47 0.04 5.86 -1.08 0.71 -4.87 116.67 124.66 1n5b s ASP 81 Ca -0.11 -1.52 0.02 0.00 -0.52 0.00 0.00 52.55 50.42 1n5b s ASP 81 Cb -0.15 -2.48 0.13 0.00 -1.46 0.00 0.00 42.92 38.95 1n5b s ASP 81 CO 0.01 -1.36 0.99 1.21 0.52 0.00 0.00 175.17 176.54 1n5b n GLU 82 N 7.88 0.02 -0.12 4.34 2.13 -1.26 -1.24 120.64 132.39 1n5b n GLU 82 Ca 0.22 0.44 -0.24 0.00 0.66 0.00 0.00 57.16 58.23 1n5b n GLU 82 Cb 0.49 -1.64 -0.08 0.00 0.27 0.00 0.00 31.44 30.48 1n5b n GLU 82 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1n5b n VAL 83 N -1.51 1.35 0.41 6.31 0.31 -1.26 -4.48 118.33 119.45 1n5b n VAL 83 Ca -0.00 -0.28 0.13 0.00 -0.01 0.00 0.00 64.34 64.18 1n5b n VAL 83 Cb 0.10 -1.88 0.49 0.00 -0.91 0.00 0.00 33.84 31.64 1n5b n VAL 83 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1n5b h GLY 84 N -0.87 0.00 -3.60 2.92 0.00 -1.95 -3.47 103.07 96.10 1n5b h GLY 84 Ca -0.55 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 1n5b h GLY 84 CO -0.33 0.00 -0.27 0.61 0.00 0.00 0.00 176.54 176.55 1n5b n GLY 85 N 0.41 0.23 3.57 4.60 0.00 -0.37 -5.08 105.19 108.54 1n5b n GLY 85 Ca 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.12 -0.20 0.58 1.61 -3.43 -1.18 -5.02 115.29 104.52 1n5b s HIS 86 Ca 0.10 0.14 -0.17 0.00 -0.80 0.00 0.00 55.06 54.34 1n5b s HIS 86 Cb -0.01 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 1n5b s HIS 86 CO 0.24 -0.31 1.06 -1.25 -2.00 0.00 0.00 174.74 172.48 1n5b s PRO 87 N -2.55 3.35 -0.07 -0.38 0.04 -1.26 -0.21 135.00 133.92 1n5b s PRO 87 Ca 0.07 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1n5b s PRO 87 Cb -0.01 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1n5b s PRO 87 CO -0.06 -0.80 -0.08 0.08 0.04 0.00 0.00 177.00 176.19 1n5b s VAL 88 N -2.32 0.85 -0.17 -0.36 1.01 0.14 -4.17 120.40 115.38 1n5b s VAL 88 Ca 0.65 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1n5b s VAL 88 Cb -0.17 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1n5b s VAL 88 CO 0.34 0.30 -0.05 -0.22 0.00 0.00 0.00 175.10 175.47 1n5b s LEU 89 N 1.01 3.06 0.06 3.92 2.96 -0.49 0.03 118.68 129.23 1n5b s LEU 89 Ca -0.09 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 1n5b s LEU 89 Cb -0.15 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1n5b s LEU 89 CO -0.00 0.11 0.25 -1.66 -1.32 0.00 0.00 176.35 173.74 1n5b s TRP 90 N 0.68 -0.00 0.11 5.38 1.48 -0.35 -1.26 118.94 124.98 1n5b s TRP 90 Ca -0.03 -0.25 -0.01 0.00 -1.06 0.00 0.00 56.10 54.75 1n5b s TRP 90 Cb -0.15 0.04 -0.04 0.00 -1.16 0.00 0.00 33.47 32.16 1n5b s TRP 90 CO 0.02 -0.51 0.04 0.54 -4.06 0.00 0.00 176.95 172.98 1n5b s ASN 91 N -2.36 0.35 -0.07 -2.66 4.22 -0.65 0.22 114.94 113.98 1n5b s ASN 91 Ca -0.02 -1.16 -0.24 0.00 -2.14 0.00 0.00 52.86 49.30 1n5b s ASN 91 Cb 0.01 0.28 0.05 0.00 1.28 0.00 0.00 41.25 42.87 1n5b s ASN 91 CO -0.06 -0.70 0.56 -0.60 -2.04 0.00 0.00 177.10 174.25 1n5b s ARG 92 N -4.02 0.88 0.03 3.55 3.52 -1.26 -1.99 118.95 119.67 1n5b s ARG 92 Ca 0.20 0.24 -0.19 0.00 -0.13 0.00 0.00 55.73 55.84 1n5b s ARG 92 Cb 0.08 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.92 1n5b s ARG 92 CO -0.01 -0.24 0.44 1.14 -0.81 0.00 0.00 175.30 175.82 1n5b s GLN 93 N -0.95 0.92 0.33 5.12 -2.07 -1.00 -4.85 119.66 117.16 1n5b s GLN 93 Ca -0.10 -0.27 -0.27 0.00 -1.82 0.00 0.00 55.36 52.90 1n5b s GLN 93 Cb -0.02 0.41 -0.09 0.00 -1.09 0.00 0.00 33.01 32.22 1n5b s GLN 93 CO 0.07 -0.31 1.09 -1.25 -1.32 0.00 0.00 175.29 173.57 1n5b s PRO 94 N -2.24 4.44 0.19 9.60 0.04 -1.26 -1.00 135.00 144.77 1n5b s PRO 94 Ca -0.07 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 1n5b s PRO 94 Cb -0.01 -2.95 0.09 0.00 0.04 0.00 0.00 34.50 31.67 1n5b s PRO 94 CO -0.01 0.06 1.57 -0.07 0.04 0.00 0.00 177.00 178.59 1n5b h LEU 95 N 3.32 0.86 0.00 -3.56 3.38 -1.87 -3.01 115.31 114.43 1n5b h LEU 95 Ca -0.47 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1n5b h LEU 95 Cb 1.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1n5b h LEU 95 CO 0.65 1.09 0.00 -0.46 0.09 0.00 0.00 178.44 179.82 1n5b n ASN 96 N -4.08 0.00 -0.38 -0.43 0.23 -1.26 -2.03 115.26 107.31 1n5b n ASN 96 Ca -0.01 -0.78 0.01 0.00 -0.53 0.00 0.00 54.58 53.27 1n5b n ASN 96 Cb 0.48 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.19 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 -0.56 0.19 -4.63 0.53 2.85 -1.14 -5.11 115.26 107.39 1n5b n ASN 97 Ca 0.01 -1.91 -0.28 0.00 -0.11 0.00 0.00 54.58 52.29 1n5b n ASN 97 Cb 0.01 -0.18 0.19 0.00 1.24 0.00 0.00 39.78 41.04 1n5b n ASN 97 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1n5b s LEU 98 N -0.21 1.38 0.09 1.20 1.43 -0.86 -4.99 118.68 116.72 1n5b s LEU 98 Ca 0.02 1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 54.18 1n5b s LEU 98 Cb 0.02 -3.30 0.02 0.00 0.03 0.00 0.00 46.19 42.96 1n5b s LEU 98 CO 0.00 -3.38 0.29 -0.62 0.23 0.00 0.00 176.35 172.88 1n5b s ASP 99 N -3.33 -0.07 0.27 2.29 -1.08 -1.26 -4.97 116.67 108.52 1n5b s ASP 99 Ca 0.66 -0.40 0.13 0.00 -0.52 0.00 0.00 52.55 52.41 1n5b s ASP 99 Cb -0.19 0.39 0.70 0.00 -1.46 0.00 0.00 42.92 42.35 1n5b s ASP 99 CO 0.59 -0.73 1.31 -0.46 0.52 0.00 0.00 175.17 176.39 1n5b n ASN 100 N 0.09 0.33 -0.04 -0.34 0.23 -1.26 -0.60 115.26 113.67 1n5b n ASN 100 Ca -0.16 0.57 -0.01 0.00 -0.53 0.00 0.00 54.58 54.45 1n5b n ASN 100 Cb 0.62 -0.56 -0.10 0.00 -2.08 0.00 0.00 39.78 37.66 1n5b n ASN 100 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n5b n ASN 101 N -1.98 1.88 -0.13 0.53 3.02 -1.26 -4.69 115.26 112.63 1n5b n ASN 101 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1n5b n ASN 101 Cb 0.22 1.14 -0.08 0.00 -0.61 0.00 0.00 39.78 40.45 1n5b n ASN 101 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1n5b h SER 102 N 0.00 -1.70 -0.21 6.41 0.02 -1.23 1.29 113.55 118.13 1n5b h SER 102 Ca -0.20 0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1n5b h SER 102 Cb 1.31 0.71 -0.02 0.00 0.14 0.00 0.00 62.40 64.54 1n5b h SER 102 CO 0.01 -0.40 0.11 -0.07 -1.14 0.00 0.00 176.83 175.34 1n5b h LEU 103 N -0.39 0.17 -0.61 5.07 3.38 -1.85 0.55 115.31 121.63 1n5b h LEU 103 Ca 0.09 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1n5b h LEU 103 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1n5b h LEU 103 CO -0.58 0.13 -0.13 0.22 0.09 0.00 0.00 178.44 178.17 1n5b h TYR 104 N 0.24 1.07 -0.55 1.13 5.03 -1.76 -1.90 116.97 120.23 1n5b h TYR 104 Ca 0.08 -0.22 -0.05 0.00 2.58 0.00 0.00 58.73 61.12 1n5b h TYR 104 Cb 0.01 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 1n5b h TYR 104 CO -0.09 1.02 0.16 1.15 -1.32 0.00 0.00 178.16 179.08 1n5b h THR 105 N 0.85 1.24 -0.48 1.81 2.02 0.21 0.39 112.91 118.95 1n5b h THR 105 Ca 0.13 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1n5b h THR 105 Cb 0.68 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1n5b h THR 105 CO 0.05 0.30 0.25 -0.61 0.37 0.00 0.00 175.52 175.88 1n5b h GLN 106 N 0.76 0.67 -0.48 6.66 4.15 0.26 0.87 115.11 128.02 1n5b h GLN 106 Ca 0.18 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 1n5b h GLN 106 Cb 0.29 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1n5b h GLN 106 CO -0.00 0.55 -0.11 1.25 -1.93 0.00 0.00 178.83 178.58 1n5b h LEU 107 N 0.63 0.87 -0.05 -2.39 5.85 -1.16 -1.59 115.31 117.47 1n5b h LEU 107 Ca 0.17 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1n5b h LEU 107 Cb 0.08 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1n5b h LEU 107 CO -0.02 1.00 0.01 -0.08 -0.34 0.00 0.00 178.44 179.01 1n5b h GLU 108 N 0.79 0.08 -0.56 1.25 4.81 -0.52 -2.14 114.58 118.29 1n5b h GLU 108 Ca 0.13 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1n5b h GLU 108 Cb 0.63 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1n5b h GLU 108 CO 0.04 0.26 0.37 0.52 -0.73 0.00 0.00 179.01 179.47 1n5b h MET 109 N -0.12 0.71 -0.15 1.92 2.86 -0.75 0.65 114.93 120.05 1n5b h MET 109 Ca 0.02 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1n5b h MET 109 Cb 0.21 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1n5b h MET 109 CO -0.00 0.47 -0.01 1.25 1.06 0.00 0.00 176.91 179.68 1n5b h LEU 110 N 0.73 0.27 -0.45 1.22 5.85 -1.11 -1.43 115.31 120.39 1n5b h LEU 110 Ca 0.21 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1n5b h LEU 110 Cb -0.05 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1n5b h LEU 110 CO -0.05 0.52 0.00 0.58 -0.34 0.00 0.00 178.44 179.16 1n5b h VAL 111 N 0.00 1.26 -0.03 1.05 2.07 -0.95 -0.79 116.25 118.87 1n5b h VAL 111 Ca 0.04 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1n5b h VAL 111 Cb 0.39 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1n5b h VAL 111 CO 0.01 0.36 -0.17 1.56 0.02 0.00 0.00 177.57 179.35 1n5b h GLN 112 N 0.64 0.04 -0.33 1.57 4.20 -0.88 0.13 115.11 120.48 1n5b h GLN 112 Ca 0.13 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 1n5b h GLN 112 Cb 0.49 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1n5b h GLN 112 CO 0.02 0.21 -0.49 0.78 -0.67 0.00 0.00 178.83 178.69 1n5b h GLY 113 N 0.57 0.99 2.00 3.46 0.00 -0.76 -2.76 103.07 106.58 1n5b h GLY 113 Ca 0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.19 1n5b h GLY 113 CO 0.02 1.00 -0.18 0.00 0.00 0.00 0.00 176.54 177.38 1n5b h ALA 114 N 0.72 1.07 0.00 3.60 0.00 -0.09 -2.71 119.26 121.85 1n5b h ALA 114 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n5b h ALA 114 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1n5b h ALA 114 CO 0.11 0.22 0.00 0.93 0.00 0.00 0.00 179.25 180.51 1n5b h GLU 115 N 0.00 0.00 -0.01 0.00 5.08 -0.50 -1.34 114.58 117.82 1n5b h GLU 115 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n5b h GLU 115 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1n5b h GLU 115 CO 0.02 0.00 -0.16 0.54 -1.00 0.00 0.00 179.01 178.42 1n5b n ARG 116 N -3.06 1.05 -0.03 2.33 1.74 -1.02 -4.42 116.66 113.25 1n5b n ARG 116 Ca 0.03 -0.58 -0.07 0.00 -0.77 0.00 0.00 57.85 56.47 1n5b n ARG 116 Cb 0.45 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 1n5b n ARG 116 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n5b n LEU 117 N -0.47 1.21 -4.69 0.55 4.77 -1.09 -5.02 117.00 112.26 1n5b n LEU 117 Ca 0.15 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 1n5b n LEU 117 Cb 0.33 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1n5b n LEU 117 CO 0.23 0.28 0.81 -1.58 -1.33 0.00 0.00 177.39 175.80 1n5b s GLN 118 N -2.13 4.41 -0.24 3.23 0.74 -0.52 -4.63 119.66 120.52 1n5b s GLN 118 Ca -0.09 1.42 -0.07 0.00 0.05 0.00 0.00 55.36 56.66 1n5b s GLN 118 Cb 0.03 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 1n5b s GLN 118 CO 0.13 -0.34 0.07 0.95 -0.55 0.00 0.00 175.29 175.55 1n5b s THR 119 N 2.09 4.41 0.14 -0.34 -4.23 -1.25 -4.90 115.64 111.58 1n5b s THR 119 Ca 0.49 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.92 1n5b s THR 119 Cb -0.19 -3.05 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 1n5b s THR 119 CO 0.18 0.35 0.02 -0.94 -0.54 0.00 0.00 174.62 173.69 1n5b s SER 120 N 1.42 4.97 0.38 3.99 1.04 -1.26 -5.03 113.70 119.21 1n5b s SER 120 Ca 0.05 -0.28 -0.26 0.00 0.48 0.00 0.00 55.95 55.94 1n5b s SER 120 Cb -0.15 -1.14 -0.09 0.00 0.10 0.00 0.00 66.02 64.74 1n5b s SER 120 CO 0.04 0.11 1.19 -0.94 0.98 0.00 0.00 173.24 174.63 1n5b s SER 121 N -2.76 6.62 0.59 7.02 1.04 -1.26 -4.92 113.70 120.04 1n5b s SER 121 Ca 0.27 2.42 0.36 0.00 0.48 0.00 0.00 55.95 59.49 1n5b s SER 121 Cb -0.10 -2.62 1.81 0.00 0.10 0.00 0.00 66.02 65.21 1n5b s SER 121 CO 0.19 -0.61 2.16 0.17 0.98 0.00 0.00 173.24 176.13 1n5b h LEU 122 N 2.88 0.00 -7.92 2.42 -0.00 -2.07 -3.41 115.31 107.21 1n5b h LEU 122 Ca -0.49 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 56.91 1n5b h LEU 122 Cb 1.23 0.00 -0.33 0.00 -0.00 0.00 0.00 40.66 41.56 1n5b h LEU 122 CO 0.63 0.03 -0.80 -0.63 -0.00 0.00 0.00 178.44 177.67 1n5b s ILE 123 N -4.01 0.96 -0.55 0.15 -1.09 -1.26 -5.08 121.20 110.32 1n5b s ILE 123 Ca -0.02 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.05 1n5b s ILE 123 Cb 0.12 -0.90 0.16 0.00 -1.58 0.00 0.00 42.46 40.26 1n5b s ILE 123 CO 0.50 0.32 0.39 -0.55 -1.23 0.00 0.00 174.94 174.37 1n5b s SER 124 N 0.69 3.34 1.10 3.58 0.15 -1.26 -5.12 113.70 116.18 1n5b s SER 124 Ca -0.13 -3.35 -0.17 0.00 0.70 0.00 0.00 55.95 53.00 1n5b s SER 124 Cb -0.15 -1.08 0.24 0.00 -1.71 0.00 0.00 66.02 63.32 1n5b s SER 124 CO 0.03 -0.15 1.15 -2.84 1.20 0.00 0.00 173.24 172.63 1n5b s PRO 125 N -0.57 -0.39 0.34 5.44 0.02 -1.26 -4.97 135.00 133.60 1n5b s PRO 125 Ca 0.27 -0.00 -0.29 0.00 0.02 0.00 0.00 61.00 61.00 1n5b s PRO 125 Cb -0.05 -1.69 -0.11 0.00 0.02 0.00 0.00 34.50 32.67 1n5b s PRO 125 CO -0.15 -3.17 1.51 -2.30 -0.33 0.00 0.00 177.00 172.55 1n5b n PRO 126 N -4.39 2.61 -4.44 5.54 -0.02 -1.26 -5.02 135.00 128.03 1n5b n PRO 126 Ca 0.11 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.28 1n5b n PRO 126 Cb 0.59 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 1n5b n PRO 126 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n5b s ARG 127 N -1.46 1.17 0.29 -0.52 0.52 -1.26 -5.14 118.95 112.54 1n5b s ARG 127 Ca 0.58 -0.97 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 1n5b s ARG 127 Cb -0.50 -1.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 1n5b s ARG 127 CO 0.58 0.32 0.44 -1.54 0.02 0.00 0.00 175.30 175.11 1n5b s SER 128 N -1.43 6.29 0.27 0.23 1.04 -1.26 -5.11 113.70 113.72 1n5b s SER 128 Ca 0.05 0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.53 1n5b s SER 128 Cb -0.09 -1.89 0.01 0.00 0.10 0.00 0.00 66.02 64.15 1n5b s SER 128 CO 0.02 -0.18 0.59 0.72 0.98 0.00 0.00 173.24 175.37 1n5b s PHE 129 N -2.12 0.17 -2.88 5.02 -0.12 -1.26 -5.31 117.98 111.48 1n5b s PHE 129 Ca 0.37 -0.58 0.23 0.00 -0.05 0.00 0.00 56.93 56.90 1n5b s PHE 129 Cb -0.09 0.41 0.18 0.00 -0.63 0.00 0.00 43.02 42.89 1n5b s PHE 129 CO 0.32 -1.12 1.23 0.43 -0.05 0.00 0.00 175.22 176.02