#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9p s HIS 4 N 0.00 -0.54 0.91 1.57 5.04 -1.26 -5.16 115.29 115.84 1i9p s HIS 4 Ca 0.00 1.12 -0.11 0.00 -1.54 0.00 0.00 55.06 54.53 1i9p s HIS 4 Cb 0.00 0.26 0.13 0.00 0.04 0.00 0.00 32.58 33.01 1i9p s HIS 4 CO 0.00 -0.43 1.08 -2.67 -2.34 0.00 0.00 174.74 170.38 1i9p n TRP 5 N 1.79 0.69 -1.48 3.88 4.27 -1.26 -4.96 117.44 120.37 1i9p n TRP 5 Ca -0.17 0.38 0.00 0.00 -3.89 0.00 0.00 57.50 53.82 1i9p n TRP 5 Cb 0.56 -1.99 0.00 0.00 -1.36 0.00 0.00 31.31 28.52 1i9p n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1i9p n GLY 6 N 0.43 3.24 0.04 -1.67 0.00 -0.76 -5.02 105.19 101.45 1i9p n GLY 6 Ca 0.12 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1i9p n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i9p n TYR 7 N 0.00 0.00 -2.11 1.61 4.01 -1.26 -4.10 117.16 115.31 1i9p n TYR 7 Ca 0.00 -0.38 -0.28 0.00 -0.16 0.00 0.00 57.90 57.08 1i9p n TYR 7 Cb 0.00 -0.05 0.16 0.00 -0.31 0.00 0.00 39.34 39.14 1i9p n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1i9p s GLY 8 N -0.93 1.77 0.22 2.72 0.00 -1.26 -4.69 107.32 105.15 1i9p s GLY 8 Ca 0.04 -1.31 -0.08 0.00 0.00 0.00 0.00 44.72 43.36 1i9p s GLY 8 CO 0.00 -0.61 1.75 1.70 0.00 0.00 0.00 173.10 175.94 1i9p h LYS 9 N -1.31 0.43 0.00 2.90 3.11 -1.98 0.24 116.57 119.96 1i9p h LYS 9 Ca -0.42 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1i9p h LYS 9 Cb 1.25 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 1i9p h LYS 9 CO 0.40 0.29 -0.49 0.72 -2.81 0.00 0.00 179.45 177.56 1i9p n HIS 10 N -4.98 0.29 -2.11 1.91 8.25 -1.26 -4.25 115.22 113.08 1i9p n HIS 10 Ca 0.10 0.09 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 1i9p n HIS 10 Cb 0.30 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1i9p n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1i9p n ASN 11 N -1.81 0.20 -2.83 0.41 6.94 -1.16 -4.94 115.26 112.07 1i9p n ASN 11 Ca 0.05 -1.97 -0.10 0.00 -0.02 0.00 0.00 54.58 52.53 1i9p n ASN 11 Cb 0.39 -0.21 0.08 0.00 -2.36 0.00 0.00 39.78 37.68 1i9p n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1i9p n GLY 12 N 0.11 -2.32 0.38 4.83 0.00 0.06 -1.82 105.19 106.43 1i9p n GLY 12 Ca 0.01 -1.50 0.22 0.00 0.00 0.00 0.00 46.02 44.74 1i9p n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i9p h PRO 13 N 0.00 0.43 0.00 1.61 0.11 -1.85 0.12 132.00 132.42 1i9p h PRO 13 Ca -0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1i9p h PRO 13 Cb 0.43 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1i9p h PRO 13 CO 0.10 0.29 -0.01 1.05 -0.21 0.00 0.00 178.00 179.21 1i9p h GLU 14 N 0.45 0.00 0.00 1.05 9.09 -1.94 -2.84 114.58 120.38 1i9p h GLU 14 Ca 0.64 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 60.02 1i9p h GLU 14 Cb 1.47 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.57 1i9p h GLU 14 CO -0.41 0.01 -1.86 0.72 0.05 0.00 0.00 179.01 177.52 1i9p n HIS 15 N -3.16 0.18 -0.34 2.06 8.25 0.39 -4.59 115.22 118.02 1i9p n HIS 15 Ca -0.02 0.05 0.25 0.00 -0.26 0.00 0.00 57.72 57.74 1i9p n HIS 15 Cb 0.15 -0.63 0.53 0.00 1.12 0.00 0.00 29.99 31.16 1i9p n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1i9p h TRP 16 N 0.00 0.64 -0.17 4.41 6.55 -1.38 -1.39 115.95 124.62 1i9p h TRP 16 Ca -0.05 0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.86 1i9p h TRP 16 Cb 1.13 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 29.24 1i9p h TRP 16 CO 0.00 0.01 0.19 1.12 -1.05 0.00 0.00 178.44 178.71 1i9p h HIS 17 N 0.34 0.00 -0.91 0.49 2.07 -1.79 0.69 115.15 116.05 1i9p h HIS 17 Ca 0.63 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.15 1i9p h HIS 17 Cb 1.67 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.61 1i9p h HIS 17 CO -0.00 0.00 0.54 0.87 -3.07 0.00 0.00 177.93 176.27 1i9p h LYS 18 N 0.00 1.24 0.00 5.12 1.57 -1.59 -3.06 116.57 119.85 1i9p h LYS 18 Ca 0.08 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1i9p h LYS 18 Cb 0.45 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1i9p h LYS 18 CO -0.00 0.87 -2.14 -0.25 -0.57 0.00 0.00 179.45 177.36 1i9p n ASP 19 N -4.38 0.21 -3.88 0.86 8.00 -0.96 -4.71 116.55 111.69 1i9p n ASP 19 Ca 0.10 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 1i9p n ASP 19 Cb 0.06 1.49 -0.12 0.00 -0.02 0.00 0.00 41.12 42.53 1i9p n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1i9p s PHE 20 N -2.98 3.45 0.48 1.24 0.08 0.20 -4.95 117.98 115.49 1i9p s PHE 20 Ca -0.09 -3.29 0.34 0.00 0.12 0.00 0.00 56.93 54.01 1i9p s PHE 20 Cb 0.10 -2.63 1.46 0.00 -0.57 0.00 0.00 43.02 41.38 1i9p s PHE 20 CO 0.84 -0.56 1.69 -1.35 -0.10 0.00 0.00 175.22 175.73 1i9p h PRO 21 N 5.43 0.10 0.00 0.24 0.11 -1.78 0.43 132.00 136.53 1i9p h PRO 21 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1i9p h PRO 21 Cb 0.76 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1i9p h PRO 21 CO 0.70 0.07 0.06 1.51 -0.21 0.00 0.00 178.00 180.13 1i9p n ILE 22 N -4.40 1.07 -0.06 4.15 3.06 -1.26 -1.91 119.36 120.01 1i9p n ILE 22 Ca 0.34 0.71 0.21 0.00 -2.50 0.00 0.00 62.75 61.50 1i9p n ILE 22 Cb 1.40 -1.71 0.67 0.00 0.54 0.00 0.00 39.64 40.55 1i9p n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1i9p h ALA 23 N 1.82 2.50 -0.63 1.51 0.00 -1.24 0.39 119.26 123.61 1i9p h ALA 23 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1i9p h ALA 23 Cb 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1i9p h ALA 23 CO 0.00 -0.68 0.13 1.63 0.00 0.00 0.00 179.25 180.33 1i9p n LYS 24 N -4.38 4.16 -0.50 0.00 5.02 -0.80 -4.98 118.16 116.68 1i9p n LYS 24 Ca 0.12 -3.12 -0.22 0.00 -2.02 0.00 0.00 58.31 53.07 1i9p n LYS 24 Cb 0.66 -2.21 0.20 0.00 -0.02 0.00 0.00 35.03 33.66 1i9p n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i9p n GLY 25 N 0.13 -3.23 0.06 0.72 0.00 0.14 -4.99 105.19 98.01 1i9p n GLY 25 Ca 0.34 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 45.08 1i9p n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i9p n GLU 26 N -4.34 0.45 -2.88 1.61 -0.58 -1.26 -4.46 120.64 109.18 1i9p n GLU 26 Ca 0.11 0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.62 1i9p n GLU 26 Cb 0.44 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1i9p n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1i9p n ARG 27 N -2.26 2.63 -2.96 3.49 1.85 -1.26 -4.66 116.66 113.49 1i9p n ARG 27 Ca 0.00 -4.35 -0.29 0.00 -1.00 0.00 0.00 57.85 52.21 1i9p n ARG 27 Cb 0.50 -2.05 -0.02 0.00 -1.05 0.00 0.00 32.46 29.83 1i9p n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1i9p s GLN 28 N -3.24 3.67 0.15 2.89 -1.52 -1.26 -2.97 119.66 117.38 1i9p s GLN 28 Ca 0.45 0.25 0.05 0.00 -1.95 0.00 0.00 55.36 54.16 1i9p s GLN 28 Cb 0.33 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 1i9p s GLN 28 CO -0.12 -0.00 -0.11 -1.12 -0.25 0.00 0.00 175.29 173.68 1i9p s SER 29 N -3.42 1.91 0.81 5.90 0.01 -1.26 -4.64 113.70 113.00 1i9p s SER 29 Ca 0.48 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.68 1i9p s SER 29 Cb -0.10 -0.04 0.11 0.00 0.21 0.00 0.00 66.02 66.20 1i9p s SER 29 CO 0.34 -0.27 1.15 -2.16 0.41 0.00 0.00 173.24 172.71 1i9p s PRO 30 N -3.44 1.69 0.18 12.44 0.04 -1.26 -4.52 135.00 140.13 1i9p s PRO 30 Ca 0.15 -0.23 0.02 0.00 0.04 0.00 0.00 61.00 60.98 1i9p s PRO 30 Cb 0.00 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1i9p s PRO 30 CO 0.02 -1.67 0.00 0.14 0.04 0.00 0.00 177.00 175.53 1i9p s VAL 31 N -3.52 0.72 0.01 -0.36 -7.23 -1.26 0.45 120.40 109.22 1i9p s VAL 31 Ca 0.65 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.61 1i9p s VAL 31 Cb -0.09 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1i9p s VAL 31 CO 0.48 -0.45 0.66 -0.62 -0.31 0.00 0.00 175.10 174.86 1i9p s ASP 32 N -3.19 7.06 -0.53 4.85 2.15 -1.26 -3.31 116.67 122.43 1i9p s ASP 32 Ca 0.25 1.27 -0.17 0.00 0.43 0.00 0.00 52.55 54.32 1i9p s ASP 32 Cb 0.06 -2.40 0.11 0.00 -0.30 0.00 0.00 42.92 40.38 1i9p s ASP 32 CO 0.05 0.07 0.54 -0.63 -0.17 0.00 0.00 175.17 175.02 1i9p s ILE 33 N -0.14 5.09 -0.75 4.11 1.01 0.62 -4.95 121.20 126.20 1i9p s ILE 33 Ca 0.34 -1.20 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 1i9p s ILE 33 Cb -0.19 -4.33 0.06 0.00 0.01 0.00 0.00 42.46 38.01 1i9p s ILE 33 CO 0.19 -0.86 1.15 -0.62 0.00 0.00 0.00 174.94 174.80 1i9p s ASP 34 N 3.32 6.24 0.47 3.58 2.15 -1.26 -0.62 116.67 130.54 1i9p s ASP 34 Ca 0.06 -0.91 0.26 0.00 0.43 0.00 0.00 52.55 52.39 1i9p s ASP 34 Cb -0.26 -2.49 1.29 0.00 -0.30 0.00 0.00 42.92 41.16 1i9p s ASP 34 CO 0.05 -1.58 1.81 0.71 -0.17 0.00 0.00 175.17 176.00 1i9p h THR 35 N 6.07 0.52 0.00 1.71 1.35 -1.96 -1.09 112.91 119.51 1i9p h THR 35 Ca -0.20 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1i9p h THR 35 Cb 1.05 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1i9p h THR 35 CO 1.24 0.04 0.00 1.41 -0.25 0.00 0.00 175.52 177.96 1i9p n HIS 36 N -4.43 0.43 0.46 4.73 8.25 -1.26 -3.44 115.22 119.97 1i9p n HIS 36 Ca 0.23 0.14 0.05 0.00 -0.26 0.00 0.00 57.72 57.88 1i9p n HIS 36 Cb 0.97 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 1i9p n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1i9p n THR 37 N -1.87 0.00 -2.18 1.59 -1.04 -0.44 -4.99 114.28 105.37 1i9p n THR 37 Ca 0.05 -0.32 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 1i9p n THR 37 Cb 0.33 1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 69.86 1i9p n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i9p s ALA 38 N -1.69 3.42 -0.30 2.41 0.00 -1.08 -4.81 121.76 119.71 1i9p s ALA 38 Ca 0.06 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 1i9p s ALA 38 Cb 0.08 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1i9p s ALA 38 CO 0.34 -0.58 0.35 0.21 0.00 0.00 0.00 175.76 176.07 1i9p s LYS 39 N -1.85 3.85 -0.24 0.00 2.47 0.06 -4.83 119.74 119.20 1i9p s LYS 39 Ca 0.50 -0.16 -0.29 0.00 -1.56 0.00 0.00 55.97 54.46 1i9p s LYS 39 Cb -0.38 -3.71 -0.02 0.00 -1.46 0.00 0.00 37.83 32.27 1i9p s LYS 39 CO 0.49 -0.35 1.55 -0.47 0.16 0.00 0.00 175.35 176.74 1i9p s TYR 40 N 2.02 2.22 -0.37 4.03 5.04 -1.26 -0.47 117.35 128.56 1i9p s TYR 40 Ca 0.13 0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 55.32 1i9p s TYR 40 Cb -0.16 -3.98 0.07 0.00 0.35 0.00 0.00 41.96 38.24 1i9p s TYR 40 CO 0.11 -2.67 0.14 0.34 -1.34 0.00 0.00 175.55 172.13 1i9p s ASP 41 N 3.98 5.28 0.00 4.32 -1.08 -0.79 -4.92 116.67 123.46 1i9p s ASP 41 Ca 0.68 -1.49 0.18 0.00 -0.52 0.00 0.00 52.55 51.40 1i9p s ASP 41 Cb -0.23 -1.85 0.89 0.00 -1.46 0.00 0.00 42.92 40.27 1i9p s ASP 41 CO 0.28 -0.42 1.56 -0.81 0.52 0.00 0.00 175.17 176.30 1i9p n PRO 42 N 4.74 0.21 0.00 4.34 -0.04 -1.26 -2.26 135.00 140.72 1i9p n PRO 42 Ca -0.09 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.64 1i9p n PRO 42 Cb 0.43 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.01 1i9p n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1i9p n SER 43 N -1.33 0.80 -4.71 3.54 3.41 -1.26 -4.84 113.62 109.23 1i9p n SER 43 Ca 0.08 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1i9p n SER 43 Cb 0.16 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1i9p n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i9p s LEU 44 N -2.23 4.36 0.60 1.04 1.43 -0.96 -5.04 118.68 117.88 1i9p s LEU 44 Ca 0.35 1.95 -0.10 0.00 -1.03 0.00 0.00 54.13 55.30 1i9p s LEU 44 Cb 0.21 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 1i9p s LEU 44 CO 0.41 -0.46 0.99 -0.54 0.23 0.00 0.00 176.35 176.98 1i9p s LYS 45 N 1.22 3.46 0.61 1.70 1.02 -1.21 -4.98 119.74 121.56 1i9p s LYS 45 Ca 0.58 0.57 -0.16 0.00 0.02 0.00 0.00 55.97 56.97 1i9p s LYS 45 Cb -0.28 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1i9p s LYS 45 CO 0.28 -0.57 1.11 -2.14 -0.92 0.00 0.00 175.35 173.11 1i9p s PRO 46 N -5.11 3.04 0.39 -1.68 0.02 -1.26 -2.56 135.00 127.85 1i9p s PRO 46 Ca 0.54 1.44 -0.25 0.00 0.02 0.00 0.00 61.00 62.75 1i9p s PRO 46 Cb -0.11 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1i9p s PRO 46 CO 0.52 -1.06 1.11 -0.51 -0.33 0.00 0.00 177.00 176.72 1i9p s LEU 47 N -4.48 4.18 -0.39 -5.54 1.43 -1.26 -1.23 118.68 111.39 1i9p s LEU 47 Ca 0.68 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 56.02 1i9p s LEU 47 Cb -0.21 -4.08 0.11 0.00 0.03 0.00 0.00 46.19 42.04 1i9p s LEU 47 CO 0.36 -0.57 0.13 -0.55 0.23 0.00 0.00 176.35 175.95 1i9p s SER 48 N -1.32 4.40 -0.30 2.29 0.15 0.15 -4.88 113.70 114.19 1i9p s SER 48 Ca 0.57 -2.35 -0.15 0.00 0.70 0.00 0.00 55.95 54.72 1i9p s SER 48 Cb -0.27 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 1i9p s SER 48 CO 0.34 -0.33 0.37 -0.69 1.20 0.00 0.00 173.24 174.12 1i9p s VAL 49 N 0.65 5.17 -0.59 4.45 1.01 -1.26 -2.05 120.40 127.77 1i9p s VAL 49 Ca 0.13 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1i9p s VAL 49 Cb -0.21 -3.75 0.16 0.00 0.00 0.00 0.00 36.38 32.58 1i9p s VAL 49 CO -0.08 0.05 0.40 -0.44 0.00 0.00 0.00 175.10 175.04 1i9p s SER 50 N 1.69 4.00 -0.40 3.32 0.01 -0.43 -4.92 113.70 116.97 1i9p s SER 50 Ca 0.14 -3.44 0.05 0.00 1.31 0.00 0.00 55.95 54.01 1i9p s SER 50 Cb -0.16 -1.34 0.57 0.00 0.21 0.00 0.00 66.02 65.29 1i9p s SER 50 CO 0.11 -0.14 1.71 -1.22 0.41 0.00 0.00 173.24 174.10 1i9p n TYR 51 N 2.48 2.25 0.07 2.43 4.01 -1.26 -0.92 117.16 126.21 1i9p n TYR 51 Ca 0.18 -1.91 -0.07 0.00 -0.16 0.00 0.00 57.90 55.95 1i9p n TYR 51 Cb 0.37 -0.79 -0.10 0.00 -0.31 0.00 0.00 39.34 38.51 1i9p n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1i9p h ASP 52 N 1.17 0.00 -0.63 7.72 2.03 -1.91 -3.27 116.42 121.53 1i9p h ASP 52 Ca 0.45 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.60 1i9p h ASP 52 Cb 2.07 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 40.48 1i9p h ASP 52 CO 0.85 0.97 0.17 0.00 -1.03 0.00 0.00 179.24 180.20 1i9p n GLN 53 N -3.38 3.66 -1.89 4.15 1.13 -1.24 -5.01 117.38 114.79 1i9p n GLN 53 Ca -0.00 -3.08 -0.42 0.00 -1.94 0.00 0.00 57.00 51.56 1i9p n GLN 53 Cb 0.92 -2.15 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 1i9p n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i9p s ALA 54 N -2.97 3.80 -0.37 -1.58 0.00 -1.23 -4.59 121.76 114.82 1i9p s ALA 54 Ca 0.53 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.91 1i9p s ALA 54 Cb 0.42 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 20.01 1i9p s ALA 54 CO 0.12 -0.82 0.13 -0.08 0.00 0.00 0.00 175.76 175.11 1i9p s THR 55 N 1.22 1.69 0.56 0.00 -1.32 -1.26 -4.84 115.64 111.69 1i9p s THR 55 Ca 0.71 -2.21 -0.19 0.00 -1.21 0.00 0.00 61.69 58.80 1i9p s THR 55 Cb -0.45 -2.23 -0.05 0.00 -1.51 0.00 0.00 72.50 68.26 1i9p s THR 55 CO 0.31 -0.71 1.11 -0.94 -2.21 0.00 0.00 174.62 172.19 1i9p s SER 56 N 0.87 5.70 -0.02 8.08 1.04 -1.26 -1.56 113.70 126.55 1i9p s SER 56 Ca 0.13 2.10 -0.02 0.00 0.48 0.00 0.00 55.95 58.64 1i9p s SER 56 Cb -0.20 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.33 1i9p s SER 56 CO -0.11 -1.23 -0.04 0.18 0.98 0.00 0.00 173.24 173.02 1i9p n LEU 57 N -1.48 0.33 -3.82 2.42 4.77 0.33 -4.15 117.00 115.39 1i9p n LEU 57 Ca 0.11 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1i9p n LEU 57 Cb 0.51 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1i9p n LEU 57 CO 0.43 -0.02 0.54 0.00 -1.33 0.00 0.00 177.39 177.01 1i9p s ARG 58 N -2.06 2.04 -0.02 3.23 1.70 -1.22 -1.59 118.95 121.02 1i9p s ARG 58 Ca -0.04 -1.27 0.02 0.00 -0.47 0.00 0.00 55.73 53.96 1i9p s ARG 58 Cb 0.02 0.60 0.00 0.00 -0.57 0.00 0.00 34.95 35.00 1i9p s ARG 58 CO 0.05 -0.95 -0.06 -1.50 -1.08 0.00 0.00 175.30 171.76 1i9p s ILE 59 N -2.69 0.55 0.03 4.99 2.07 -0.69 -0.35 121.20 125.11 1i9p s ILE 59 Ca 0.15 -0.24 -0.03 0.00 -1.41 0.00 0.00 60.65 59.11 1i9p s ILE 59 Cb -0.05 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.03 1i9p s ILE 59 CO 0.10 0.18 0.04 -1.48 -1.91 0.00 0.00 174.94 171.86 1i9p s LEU 60 N 0.17 2.03 -0.33 8.50 2.34 -0.71 -0.48 118.68 130.20 1i9p s LEU 60 Ca -0.02 -0.53 -0.10 0.00 0.06 0.00 0.00 54.13 53.54 1i9p s LEU 60 Cb -0.06 0.36 0.00 0.00 -0.56 0.00 0.00 46.19 45.93 1i9p s LEU 60 CO -0.00 -0.42 0.18 0.21 -1.06 0.00 0.00 176.35 175.26 1i9p s ASN 61 N -1.85 5.64 -0.11 1.48 3.84 -0.42 -0.86 114.94 122.65 1i9p s ASN 61 Ca -0.09 -0.67 0.17 0.00 0.21 0.00 0.00 52.86 52.47 1i9p s ASN 61 Cb -0.04 -2.02 0.65 0.00 -0.55 0.00 0.00 41.25 39.29 1i9p s ASN 61 CO -0.03 -0.26 1.56 -0.46 -2.79 0.00 0.00 177.10 175.12 1i9p n ASN 62 N 4.99 4.45 -0.24 -4.21 2.04 -0.86 -0.39 115.26 121.05 1i9p n ASN 62 Ca -0.13 -2.46 0.02 0.00 -0.44 0.00 0.00 54.58 51.57 1i9p n ASN 62 Cb 0.48 -0.53 -0.01 0.00 -2.53 0.00 0.00 39.78 37.19 1i9p n ASN 62 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1i9p n GLY 63 N 0.86 -2.82 5.00 4.83 0.00 -1.26 -4.78 105.19 107.03 1i9p n GLY 63 Ca 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1i9p n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i9p n HIS 64 N -2.21 0.00 -3.76 1.61 8.25 -1.26 -4.81 115.22 113.04 1i9p n HIS 64 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1i9p n HIS 64 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1i9p n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i9p n ALA 65 N 0.00 -0.79 -2.69 -1.41 0.00 -1.26 -4.83 120.51 109.52 1i9p n ALA 65 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 1i9p n ALA 65 Cb 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.37 1i9p n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1i9p s PHE 66 N -3.65 2.52 -0.10 0.00 -0.71 -1.26 -2.02 117.98 112.75 1i9p s PHE 66 Ca 0.07 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.37 1i9p s PHE 66 Cb -0.00 -1.62 -0.02 0.00 -1.21 0.00 0.00 43.02 40.16 1i9p s PHE 66 CO 0.00 -0.13 -0.12 -0.80 -1.34 0.00 0.00 175.22 172.83 1i9p s ASN 67 N -0.24 4.12 -0.26 1.98 0.02 -0.04 -4.29 114.94 116.23 1i9p s ASN 67 Ca -0.01 -0.24 -0.10 0.00 -1.02 0.00 0.00 52.86 51.50 1i9p s ASN 67 Cb -0.13 -1.30 -0.04 0.00 0.02 0.00 0.00 41.25 39.80 1i9p s ASN 67 CO 0.03 0.25 0.14 -0.69 0.02 0.00 0.00 177.10 176.85 1i9p s VAL 68 N -0.16 4.97 0.04 1.60 1.01 -0.55 -1.73 120.40 125.57 1i9p s VAL 68 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1i9p s VAL 68 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1i9p s VAL 68 CO 0.03 0.30 0.25 -1.61 0.00 0.00 0.00 175.10 174.07 1i9p s GLU 69 N 1.53 3.51 0.15 2.72 2.02 0.53 -2.03 118.70 127.13 1i9p s GLU 69 Ca 0.07 -0.24 0.10 0.00 0.02 0.00 0.00 54.97 54.91 1i9p s GLU 69 Cb -0.15 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1i9p s GLU 69 CO 0.07 0.62 -0.22 -0.06 0.02 0.00 0.00 175.26 175.69 1i9p s PHE 70 N -1.42 2.01 -0.25 1.61 0.40 -0.80 -0.51 117.98 119.03 1i9p s PHE 70 Ca 0.32 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 1i9p s PHE 70 Cb -0.13 -1.05 -0.01 0.00 0.51 0.00 0.00 43.02 42.35 1i9p s PHE 70 CO 0.21 0.33 1.30 0.34 0.70 0.00 0.00 175.22 178.10 1i9p s ASP 71 N -2.32 6.76 -0.26 1.36 3.68 -0.60 -4.80 116.67 120.49 1i9p s ASP 71 Ca 0.14 1.40 0.09 0.00 2.13 0.00 0.00 52.55 56.31 1i9p s ASP 71 Cb -0.08 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.29 1i9p s ASP 71 CO 0.06 -0.97 1.25 -0.90 0.13 0.00 0.00 175.17 174.75 1i9p n ASP 72 N 7.28 3.23 0.03 -0.34 5.75 -1.26 -4.66 116.55 126.58 1i9p n ASP 72 Ca 0.15 -3.83 0.13 0.00 -0.01 0.00 0.00 54.79 51.22 1i9p n ASP 72 Cb 0.46 -0.48 0.37 0.00 -1.03 0.00 0.00 41.12 40.44 1i9p n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1i9p n SER 73 N -0.95 0.44 -3.93 -1.12 3.41 -1.26 -4.87 113.62 105.35 1i9p n SER 73 Ca 0.32 0.18 -0.09 0.00 -0.26 0.00 0.00 58.87 59.02 1i9p n SER 73 Cb 0.84 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.55 1i9p n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1i9p s GLN 74 N -3.05 0.67 -0.75 4.33 -0.21 -1.26 -5.05 119.66 114.33 1i9p s GLN 74 Ca 0.11 -0.87 -0.11 0.00 0.02 0.00 0.00 55.36 54.51 1i9p s GLN 74 Cb 0.16 0.26 -0.09 0.00 1.00 0.00 0.00 33.01 34.35 1i9p s GLN 74 CO 0.64 -0.18 1.93 -0.25 -2.12 0.00 0.00 175.29 175.31 1i9p n ASP 75 N 0.44 3.61 -0.06 5.90 8.00 -1.26 -4.54 116.55 128.64 1i9p n ASP 75 Ca -0.17 -2.40 -0.13 0.00 0.71 0.00 0.00 54.79 52.80 1i9p n ASP 75 Cb 0.60 -1.02 -0.12 0.00 -0.02 0.00 0.00 41.12 40.55 1i9p n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1i9p h LYS 76 N 7.06 -0.00 -4.97 -1.24 1.57 -1.87 -3.44 116.57 113.68 1i9p h LYS 76 Ca 0.42 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.53 1i9p h LYS 76 Cb 0.31 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.27 1i9p h LYS 76 CO 1.57 0.92 -0.82 0.00 -0.57 0.00 0.00 179.45 180.55 1i9p s ALA 77 N -2.36 2.46 0.19 3.86 0.00 -1.26 -3.68 121.76 120.98 1i9p s ALA 77 Ca -0.18 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 50.39 1i9p s ALA 77 Cb -0.03 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1i9p s ALA 77 CO 0.66 -0.71 -0.10 0.14 0.00 0.00 0.00 175.76 175.75 1i9p s VAL 78 N 1.23 1.41 -0.05 0.00 -7.23 -0.10 -1.88 120.40 113.78 1i9p s VAL 78 Ca -0.01 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1i9p s VAL 78 Cb -0.16 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1i9p s VAL 78 CO -0.09 -0.59 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.73 1i9p s LEU 79 N -3.27 1.86 0.28 1.32 2.96 -0.40 -1.31 118.68 120.12 1i9p s LEU 79 Ca 0.22 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.63 1i9p s LEU 79 Cb 0.02 -0.92 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1i9p s LEU 79 CO 0.05 0.12 0.62 -1.59 -1.32 0.00 0.00 176.35 174.23 1i9p s LYS 80 N 0.18 1.73 1.61 1.98 -2.85 -0.87 -2.35 119.74 119.17 1i9p s LYS 80 Ca -0.06 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 53.74 1i9p s LYS 80 Cb -0.12 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1i9p s LYS 80 CO 0.03 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.12 1i9p n GLY 81 N -0.44 -1.47 7.00 0.59 0.00 -1.26 -0.67 105.19 108.94 1i9p n GLY 81 Ca -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1i9p n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i9p n GLY 82 N 0.00 3.07 0.76 -0.02 0.00 -0.37 -1.55 105.19 107.09 1i9p n GLY 82 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.80 1i9p n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i9p n PRO 83 N 13.89 1.97 -3.17 1.61 -0.04 -1.26 -3.30 135.00 144.69 1i9p n PRO 83 Ca 0.00 -1.49 -0.35 0.00 -0.04 0.00 0.00 63.50 61.63 1i9p n PRO 83 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1i9p n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i9p s LEU 84 N -1.17 4.24 -0.22 1.53 1.43 -0.59 -5.07 118.68 118.83 1i9p s LEU 84 Ca 0.30 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.71 1i9p s LEU 84 Cb 0.16 -3.70 0.04 0.00 0.03 0.00 0.00 46.19 42.72 1i9p s LEU 84 CO 0.22 -0.04 -0.15 -0.62 0.23 0.00 0.00 176.35 175.99 1i9p s ASP 85 N -1.90 3.77 0.00 2.29 3.68 -1.26 -4.33 116.67 118.92 1i9p s ASP 85 Ca 0.46 -1.02 0.00 0.00 2.13 0.00 0.00 52.55 54.12 1i9p s ASP 85 Cb -0.14 -1.50 0.00 0.00 -1.45 0.00 0.00 42.92 39.83 1i9p s ASP 85 CO 0.20 -0.10 0.00 0.61 0.13 0.00 0.00 175.17 176.01 1i9p n GLY 86 N 4.53 0.77 3.74 2.66 0.00 -1.26 -4.98 105.19 110.66 1i9p n GLY 86 Ca -0.17 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 1i9p n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9p s THR 87 N -1.40 5.35 -0.11 2.61 2.01 -1.26 -4.65 115.64 118.19 1i9p s THR 87 Ca 0.00 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1i9p s THR 87 Cb 0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 1i9p s THR 87 CO 0.00 0.43 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.86 1i9p s TYR 88 N 0.25 2.65 -0.00 4.92 1.51 -0.99 -1.21 117.35 124.48 1i9p s TYR 88 Ca 0.14 -0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 55.20 1i9p s TYR 88 Cb -0.12 -1.75 -0.06 0.00 -0.11 0.00 0.00 41.96 39.92 1i9p s TYR 88 CO 0.02 -0.32 0.39 1.03 -1.11 0.00 0.00 175.55 175.56 1i9p s ARG 89 N 0.30 3.87 0.02 -0.62 0.52 -0.36 -1.27 118.95 121.41 1i9p s ARG 89 Ca -0.15 0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.11 1i9p s ARG 89 Cb -0.17 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1i9p s ARG 89 CO 0.07 0.69 1.12 -1.17 0.02 0.00 0.00 175.30 176.03 1i9p s LEU 90 N -1.15 4.36 -0.02 2.53 2.96 -0.79 -1.58 118.68 124.99 1i9p s LEU 90 Ca 0.24 1.86 0.01 0.00 -0.22 0.00 0.00 54.13 56.02 1i9p s LEU 90 Cb -0.16 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1i9p s LEU 90 CO 0.13 -0.41 -0.01 0.00 -1.32 0.00 0.00 176.35 174.74 1i9p n ILE 91 N 4.01 0.13 -3.60 6.68 0.00 -0.30 -4.55 119.36 121.73 1i9p n ILE 91 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 62.75 62.72 1i9p n ILE 91 Cb 0.48 -0.79 -0.02 0.00 0.00 0.00 0.00 39.64 39.32 1i9p n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i9p s GLN 92 N -2.05 0.69 0.02 9.51 1.03 -1.19 -1.90 119.66 125.77 1i9p s GLN 92 Ca -0.02 -0.31 -0.01 0.00 0.04 0.00 0.00 55.36 55.06 1i9p s GLN 92 Cb 0.01 0.28 -0.02 0.00 0.03 0.00 0.00 33.01 33.31 1i9p s GLN 92 CO 0.07 -0.31 -0.00 -0.59 -2.54 0.00 0.00 175.29 171.92 1i9p s PHE 93 N -2.85 0.22 0.32 9.60 -0.12 -0.86 -0.55 117.98 123.75 1i9p s PHE 93 Ca 0.09 -0.46 -0.12 0.00 -0.05 0.00 0.00 56.93 56.39 1i9p s PHE 93 Cb -0.00 -0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.24 1i9p s PHE 93 CO -0.05 -0.21 0.61 -3.38 -0.05 0.00 0.00 175.22 172.14 1i9p s HIS 94 N -1.45 0.41 0.32 3.49 -3.43 -0.66 -1.49 115.29 112.48 1i9p s HIS 94 Ca -0.16 -0.84 0.06 0.00 -0.80 0.00 0.00 55.06 53.32 1i9p s HIS 94 Cb -0.10 0.38 -0.06 0.00 -1.43 0.00 0.00 32.58 31.37 1i9p s HIS 94 CO -0.01 -1.24 -0.01 -0.06 -2.00 0.00 0.00 174.74 171.42 1i9p s PHE 95 N -3.21 2.08 -0.03 0.38 0.40 -1.26 -0.21 117.98 116.12 1i9p s PHE 95 Ca 0.21 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1i9p s PHE 95 Cb -0.03 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.22 1i9p s PHE 95 CO 0.13 0.24 -0.04 -1.01 0.70 0.00 0.00 175.22 175.23 1i9p s HIS 96 N -3.03 0.65 0.26 0.36 3.76 -0.62 -4.78 115.29 111.89 1i9p s HIS 96 Ca 0.33 -0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 55.02 1i9p s HIS 96 Cb 0.06 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 1i9p s HIS 96 CO 0.14 -0.13 0.39 1.67 -0.85 0.00 0.00 174.74 175.96 1i9p s TRP 97 N 0.63 0.75 0.52 1.40 -2.14 -1.20 -1.11 118.94 117.79 1i9p s TRP 97 Ca -0.08 -1.04 0.01 0.00 2.66 0.00 0.00 56.10 57.65 1i9p s TRP 97 Cb -0.11 -0.07 -0.01 0.00 -3.10 0.00 0.00 33.47 30.18 1i9p s TRP 97 CO -0.00 -0.94 0.02 0.20 -2.66 0.00 0.00 176.95 173.57 1i9p s GLY 98 N -3.11 3.02 0.00 3.67 0.00 -1.18 -0.99 107.32 108.73 1i9p s GLY 98 Ca 0.29 -0.34 0.29 0.00 0.00 0.00 0.00 44.72 44.96 1i9p s GLY 98 CO 0.13 -2.19 1.85 -1.14 0.00 0.00 0.00 173.10 171.74 1i9p n SER 99 N -1.30 0.92 -3.85 1.64 3.41 -1.26 -4.38 113.62 108.80 1i9p n SER 99 Ca -0.19 -1.13 -0.10 0.00 -0.26 0.00 0.00 58.87 57.18 1i9p n SER 99 Cb 0.67 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 1i9p n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i9p s LEU 100 N -2.16 1.38 0.54 1.04 1.43 -1.26 -5.07 118.68 114.57 1i9p s LEU 100 Ca 0.37 -0.38 0.30 0.00 -1.03 0.00 0.00 54.13 53.39 1i9p s LEU 100 Cb 0.21 0.95 1.49 0.00 0.03 0.00 0.00 46.19 48.87 1i9p s LEU 100 CO 0.39 -0.56 2.06 0.44 0.23 0.00 0.00 176.35 178.91 1i9p h ASP 101 N 3.43 0.00 -0.19 2.29 3.32 -1.92 -2.95 116.42 120.41 1i9p h ASP 101 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1i9p h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1i9p h ASP 101 CO 0.49 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 1i9p n GLY 102 N -0.48 0.29 3.38 2.75 0.00 -1.26 -3.33 105.19 106.54 1i9p n GLY 102 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1i9p n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1i9p s GLN 103 N -1.69 0.93 0.00 1.61 -2.07 -1.12 -4.67 119.66 112.65 1i9p s GLN 103 Ca 0.13 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.59 1i9p s GLN 103 Cb 0.08 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 1i9p s GLN 103 CO 0.08 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 1i9p n GLY 104 N 0.82 2.14 3.80 2.60 0.00 -1.00 -3.07 105.19 110.48 1i9p n GLY 104 Ca -0.19 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1i9p n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i9p s SER 105 N 0.00 5.28 -0.16 1.61 1.04 -0.97 -3.25 113.70 117.25 1i9p s SER 105 Ca 0.00 1.74 -0.13 0.00 0.48 0.00 0.00 55.95 58.04 1i9p s SER 105 Cb 0.00 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 1i9p s SER 105 CO 0.00 -1.51 -0.15 -0.62 0.98 0.00 0.00 173.24 171.94 1i9p n GLU 106 N -2.89 0.49 -2.50 4.02 1.02 -1.26 -4.85 120.64 114.67 1i9p n GLU 106 Ca 0.08 0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 57.35 1i9p n GLU 106 Cb 0.53 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1i9p n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1i9p s HIS 107 N -2.38 3.07 0.23 -0.32 3.76 -1.26 -4.47 115.29 113.92 1i9p s HIS 107 Ca -0.20 1.60 0.11 0.00 -0.15 0.00 0.00 55.06 56.41 1i9p s HIS 107 Cb 0.03 -3.14 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 1i9p s HIS 107 CO 0.32 -0.86 -0.20 0.95 -0.85 0.00 0.00 174.74 174.10 1i9p s THR 108 N -1.79 2.22 -0.22 1.30 -4.23 -1.21 -4.71 115.64 107.01 1i9p s THR 108 Ca 0.63 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1i9p s THR 108 Cb -0.20 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.54 1i9p s THR 108 CO 0.25 -0.35 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.15 1i9p s VAL 109 N -2.32 1.94 -1.56 2.29 1.01 -0.50 -0.28 120.40 121.00 1i9p s VAL 109 Ca 0.24 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1i9p s VAL 109 Cb -0.05 -1.96 0.09 0.00 0.00 0.00 0.00 36.38 34.47 1i9p s VAL 109 CO 0.11 0.20 0.92 0.47 0.00 0.00 0.00 175.10 176.80 1i9p n ASP 110 N 4.58 -4.23 0.00 3.32 8.00 0.21 -0.45 116.55 127.98 1i9p n ASP 110 Ca -0.16 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1i9p n ASP 110 Cb 0.46 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1i9p n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1i9p n LYS 111 N -4.60 0.00 -2.73 -1.24 4.76 -1.26 -5.01 118.16 108.08 1i9p n LYS 111 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1i9p n LYS 111 Cb 0.53 -2.25 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 1i9p n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1i9p s LYS 112 N -0.04 4.38 -0.15 1.97 2.20 0.40 -5.01 119.74 123.50 1i9p s LYS 112 Ca 0.00 1.30 -0.08 0.00 -0.36 0.00 0.00 55.97 56.84 1i9p s LYS 112 Cb 0.00 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1i9p s LYS 112 CO 0.00 -0.35 0.12 0.15 -0.36 0.00 0.00 175.35 174.91 1i9p s LYS 113 N 2.18 3.70 0.73 4.03 1.02 -1.26 -1.41 119.74 128.73 1i9p s LYS 113 Ca 0.46 -0.19 -0.03 0.00 0.02 0.00 0.00 55.97 56.23 1i9p s LYS 113 Cb -0.17 -3.24 0.12 0.00 -0.52 0.00 0.00 37.83 34.01 1i9p s LYS 113 CO 0.15 0.58 1.01 0.71 -0.92 0.00 0.00 175.35 176.89 1i9p s TYR 114 N -0.47 1.79 0.19 3.18 2.02 -1.26 -4.54 117.35 118.26 1i9p s TYR 114 Ca 0.12 -0.14 0.17 0.00 -0.37 0.00 0.00 57.07 56.85 1i9p s TYR 114 Cb -0.12 -3.11 0.61 0.00 -0.40 0.00 0.00 41.96 38.94 1i9p s TYR 114 CO 0.02 -1.72 1.71 0.00 -1.57 0.00 0.00 175.55 173.98 1i9p h ALA 115 N -0.61 1.00 -2.70 3.71 0.00 -1.43 -2.48 119.26 116.75 1i9p h ALA 115 Ca -0.38 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.24 1i9p h ALA 115 Cb 1.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1i9p h ALA 115 CO 0.42 0.53 0.40 0.00 0.00 0.00 0.00 179.25 180.60 1i9p s ALA 116 N -3.62 -1.31 -0.13 0.00 0.00 -1.14 -3.54 121.76 112.02 1i9p s ALA 116 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 1i9p s ALA 116 Cb 0.11 0.72 0.06 0.00 0.00 0.00 0.00 23.12 24.01 1i9p s ALA 116 CO 0.70 -1.03 0.30 -2.00 0.00 0.00 0.00 175.76 173.73 1i9p s GLU 117 N -2.92 0.24 -0.15 0.00 2.12 -0.26 -1.38 118.70 116.34 1i9p s GLU 117 Ca 0.15 0.67 -0.18 0.00 0.36 0.00 0.00 54.97 55.97 1i9p s GLU 117 Cb -0.04 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 1i9p s GLU 117 CO 0.06 -0.19 0.47 -1.17 -0.54 0.00 0.00 175.26 173.89 1i9p s LEU 118 N 1.63 4.22 -0.23 2.70 2.96 0.57 -1.58 118.68 128.96 1i9p s LEU 118 Ca -0.07 0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 1i9p s LEU 118 Cb -0.10 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 1i9p s LEU 118 CO -0.10 -0.05 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.84 1i9p s HIS 119 N 0.98 2.97 -0.43 5.38 3.76 0.71 -1.23 115.29 127.43 1i9p s HIS 119 Ca 0.24 -0.95 -0.10 0.00 -0.15 0.00 0.00 55.06 54.10 1i9p s HIS 119 Cb -0.15 -2.11 0.08 0.00 1.11 0.00 0.00 32.58 31.51 1i9p s HIS 119 CO 0.09 -0.55 0.28 -0.51 -0.85 0.00 0.00 174.74 173.20 1i9p s LEU 120 N 1.48 5.24 -0.19 0.89 1.02 -0.24 -1.65 118.68 125.23 1i9p s LEU 120 Ca 0.05 -1.49 -0.23 0.00 0.02 0.00 0.00 54.13 52.48 1i9p s LEU 120 Cb -0.14 -2.02 -0.02 0.00 0.02 0.00 0.00 46.19 44.03 1i9p s LEU 120 CO -0.03 -0.56 0.75 -0.69 0.02 0.00 0.00 176.35 175.84 1i9p s VAL 121 N 1.46 4.93 0.15 -1.59 1.01 0.29 -1.38 120.40 125.27 1i9p s VAL 121 Ca 0.03 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.54 1i9p s VAL 121 Cb -0.23 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1i9p s VAL 121 CO 0.03 0.05 -0.17 -1.00 0.00 0.00 0.00 175.10 174.01 1i9p s HIS 122 N 2.14 1.67 0.05 5.22 3.76 -0.44 -1.15 115.29 126.54 1i9p s HIS 122 Ca 0.34 -0.50 0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1i9p s HIS 122 Cb -0.16 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 1i9p s HIS 122 CO 0.11 0.26 -0.14 1.67 -0.85 0.00 0.00 174.74 175.79 1i9p s TRP 123 N -2.08 1.22 -0.30 1.40 1.48 -0.62 -1.67 118.94 118.38 1i9p s TRP 123 Ca 0.13 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.49 1i9p s TRP 123 Cb -0.05 -0.71 -0.02 0.00 -1.16 0.00 0.00 33.47 31.53 1i9p s TRP 123 CO 0.05 0.05 1.71 1.21 -4.06 0.00 0.00 176.95 175.90 1i9p s ASN 124 N -1.39 6.10 0.53 -2.66 3.84 0.94 -1.22 114.94 121.08 1i9p s ASN 124 Ca 0.00 1.38 0.22 0.00 0.21 0.00 0.00 52.86 54.67 1i9p s ASN 124 Cb -0.09 -2.53 1.38 0.00 -0.55 0.00 0.00 41.25 39.46 1i9p s ASN 124 CO 0.02 -1.53 2.07 0.71 -2.79 0.00 0.00 177.10 175.58 1i9p h THR 125 N 6.56 0.81 0.00 -5.21 1.35 -1.51 -1.60 112.91 113.31 1i9p h THR 125 Ca -0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1i9p h THR 125 Cb 1.16 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1i9p h THR 125 CO 1.02 0.00 -0.00 0.07 -0.25 0.00 0.00 175.52 176.36 1i9p h LYS 127 N 0.00 0.00 -0.00 4.72 2.10 -1.91 -1.68 116.57 119.80 1i9p h LYS 127 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1i9p h LYS 127 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1i9p h LYS 127 CO -0.00 0.00 -0.03 0.66 -2.00 0.00 0.00 179.45 178.08 1i9p n TYR 128 N -3.11 0.00 0.00 0.07 4.01 -0.60 -4.96 117.16 112.56 1i9p n TYR 128 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1i9p n TYR 128 Cb 0.09 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1i9p n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i9p n GLY 129 N 1.20 1.72 3.31 2.72 0.00 -0.63 -4.60 105.19 108.91 1i9p n GLY 129 Ca 0.17 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1i9p n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i9p s ASP 130 N 0.00 -0.14 0.49 1.61 1.47 -1.26 -5.05 116.67 113.79 1i9p s ASP 130 Ca 0.00 -0.45 0.15 0.00 1.18 0.00 0.00 52.55 53.43 1i9p s ASP 130 Cb 0.00 0.45 1.18 0.00 -0.34 0.00 0.00 42.92 44.21 1i9p s ASP 130 CO 0.00 -0.85 2.10 0.58 0.68 0.00 0.00 175.17 177.68 1i9p h VAL 131 N 2.45 0.99 -0.75 2.11 2.07 -1.94 -2.21 116.25 118.96 1i9p h VAL 131 Ca -0.33 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1i9p h VAL 131 Cb 1.24 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1i9p h VAL 131 CO 0.48 0.03 0.41 1.23 0.02 0.00 0.00 177.57 179.74 1i9p h GLY 132 N 0.15 1.12 1.46 2.17 0.00 -1.96 -2.66 103.07 103.34 1i9p h GLY 132 Ca 0.08 -0.49 -0.27 0.00 0.00 0.00 0.00 47.33 46.65 1i9p h GLY 132 CO -0.01 0.47 -1.16 0.50 0.00 0.00 0.00 176.54 176.35 1i9p h LYS 133 N 1.05 0.45 -0.63 4.80 1.79 -1.68 -3.28 116.57 119.07 1i9p h LYS 133 Ca 0.27 -0.60 0.12 0.00 -2.18 0.00 0.00 60.65 58.26 1i9p h LYS 133 Cb 0.02 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1i9p h LYS 133 CO -0.04 1.24 0.43 0.00 -1.08 0.00 0.00 179.45 180.00 1i9p h ALA 134 N 0.52 2.14 0.00 3.86 0.00 -1.13 -1.75 119.26 122.89 1i9p h ALA 134 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1i9p h ALA 134 Cb 1.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1i9p h ALA 134 CO 0.21 -0.30 0.00 1.33 0.00 0.00 0.00 179.25 180.49 1i9p n VAL 135 N -4.46 0.08 -0.15 0.00 0.24 -1.04 -2.50 118.33 110.50 1i9p n VAL 135 Ca 0.11 0.02 0.09 0.00 -2.04 0.00 0.00 64.34 62.52 1i9p n VAL 135 Cb 0.46 -0.64 0.23 0.00 -1.47 0.00 0.00 33.84 32.42 1i9p n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i9p n GLN 136 N -1.08 2.62 -4.64 7.34 6.02 -0.66 -4.88 117.38 122.11 1i9p n GLN 136 Ca 0.16 -2.30 -0.27 0.00 -0.01 0.00 0.00 57.00 54.58 1i9p n GLN 136 Cb 0.11 -1.43 -0.14 0.00 1.02 0.00 0.00 30.24 29.80 1i9p n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1i9p s GLN 137 N -1.07 1.49 0.63 -1.09 -1.52 -1.04 -5.04 119.66 112.02 1i9p s GLN 137 Ca 0.36 -1.09 0.40 0.00 -1.95 0.00 0.00 55.36 53.09 1i9p s GLN 137 Cb 0.19 -1.70 2.17 0.00 -0.22 0.00 0.00 33.01 33.45 1i9p s GLN 137 CO 0.26 0.43 2.30 -1.00 -0.25 0.00 0.00 175.29 177.02 1i9p h PRO 138 N 4.59 0.00 -0.32 2.91 0.13 -1.86 -2.47 132.00 134.98 1i9p h PRO 138 Ca -0.46 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.42 1i9p h PRO 138 Cb 1.16 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 1i9p h PRO 138 CO 0.42 0.01 -0.85 -0.40 -0.23 0.00 0.00 178.00 176.96 1i9p n ASP 139 N -3.25 2.51 0.05 1.44 5.75 -1.26 -4.22 116.55 117.57 1i9p n ASP 139 Ca -0.03 -3.05 -0.11 0.00 -0.01 0.00 0.00 54.79 51.59 1i9p n ASP 139 Cb 0.11 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1i9p n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1i9p h GLY 140 N 1.72 0.46 -2.48 6.12 0.00 -1.22 -3.42 103.07 104.24 1i9p h GLY 140 Ca 0.03 -0.69 -0.62 0.00 0.00 0.00 0.00 47.33 46.06 1i9p h GLY 140 CO 0.29 0.61 -0.78 1.08 0.00 0.00 0.00 176.54 177.74 1i9p s LEU 141 N -7.89 2.55 -0.07 3.11 1.43 -0.10 -0.04 118.68 117.67 1i9p s LEU 141 Ca -0.06 -0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 52.03 1i9p s LEU 141 Cb 0.10 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.26 1i9p s LEU 141 CO 0.85 0.05 0.13 0.00 0.23 0.00 0.00 176.35 177.62 1i9p s ALA 142 N -2.30 -0.06 -0.14 4.21 0.00 -0.67 -0.95 121.76 121.85 1i9p s ALA 142 Ca 0.27 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1i9p s ALA 142 Cb -0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1i9p s ALA 142 CO 0.13 -0.54 -0.15 0.08 0.00 0.00 0.00 175.76 175.28 1i9p s VAL 143 N 2.25 2.75 -0.33 0.00 1.01 -0.99 -1.32 120.40 123.76 1i9p s VAL 143 Ca 0.03 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 1i9p s VAL 143 Cb -0.12 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1i9p s VAL 143 CO -0.05 0.52 0.65 -0.22 0.00 0.00 0.00 175.10 176.00 1i9p s LEU 144 N 0.61 4.19 -0.20 3.92 2.96 -0.48 -2.08 118.68 127.60 1i9p s LEU 144 Ca -0.09 0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 54.04 1i9p s LEU 144 Cb -0.16 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 1i9p s LEU 144 CO 0.03 -0.55 0.10 -0.83 -1.32 0.00 0.00 176.35 173.78 1i9p s GLY 145 N 1.72 1.97 -0.08 7.98 0.00 0.23 -1.08 107.32 118.06 1i9p s GLY 145 Ca 0.26 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1i9p s GLY 145 CO 0.14 0.14 -0.14 -0.42 0.00 0.00 0.00 173.10 172.82 1i9p s ILE 146 N 0.47 1.31 0.16 0.90 1.01 -0.36 -1.06 121.20 123.62 1i9p s ILE 146 Ca 0.06 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.90 1i9p s ILE 146 Cb -0.12 -1.19 -0.08 0.00 0.01 0.00 0.00 42.46 41.08 1i9p s ILE 146 CO -0.00 0.40 0.76 -0.36 0.00 0.00 0.00 174.94 175.74 1i9p s PHE 147 N 0.79 3.89 -0.14 3.97 0.08 -1.26 -0.32 117.98 125.00 1i9p s PHE 147 Ca -0.12 1.60 -0.02 0.00 0.12 0.00 0.00 56.93 58.52 1i9p s PHE 147 Cb -0.16 -2.74 -0.02 0.00 -0.57 0.00 0.00 43.02 39.53 1i9p s PHE 147 CO 0.02 0.52 -0.08 -0.51 -0.10 0.00 0.00 175.22 175.07 1i9p s LEU 148 N -1.17 3.00 0.07 -0.37 1.02 -0.48 -1.06 118.68 119.69 1i9p s LEU 148 Ca 0.35 -0.21 0.09 0.00 0.02 0.00 0.00 54.13 54.38 1i9p s LEU 148 Cb -0.23 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 1i9p s LEU 148 CO 0.26 0.18 -0.22 -0.75 0.02 0.00 0.00 176.35 175.84 1i9p s LYS 149 N 0.29 1.84 -0.18 1.70 2.20 -0.46 -2.14 119.74 122.99 1i9p s LYS 149 Ca -0.06 -1.11 -0.28 0.00 -0.36 0.00 0.00 55.97 54.16 1i9p s LYS 149 Cb -0.15 -2.07 -0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1i9p s LYS 149 CO 0.04 0.51 0.95 0.08 -0.36 0.00 0.00 175.35 176.57 1i9p s VAL 150 N -0.95 4.78 0.00 4.02 1.01 -1.26 -1.30 120.40 126.70 1i9p s VAL 150 Ca 0.14 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1i9p s VAL 150 Cb -0.10 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1i9p s VAL 150 CO 0.05 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1i9p n GLY 151 N 3.34 0.86 3.79 4.51 0.00 0.16 -4.88 105.19 112.98 1i9p n GLY 151 Ca 0.08 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 1i9p n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i9p s SER 152 N 2.00 5.64 0.43 1.61 0.01 -1.26 -3.46 113.70 118.67 1i9p s SER 152 Ca 0.00 1.87 -0.24 0.00 1.31 0.00 0.00 55.95 58.89 1i9p s SER 152 Cb 0.00 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 1i9p s SER 152 CO 0.00 -1.26 1.17 0.00 0.41 0.00 0.00 173.24 173.56 1i9p s ALA 153 N -2.39 3.06 -0.35 1.44 0.00 -1.26 -1.96 121.76 120.30 1i9p s ALA 153 Ca 0.65 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 53.48 1i9p s ALA 153 Cb -0.17 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1i9p s ALA 153 CO 0.37 -0.61 0.15 0.21 0.00 0.00 0.00 175.76 175.89 1i9p s LYS 154 N -2.51 2.79 0.12 0.00 2.47 -1.25 -4.84 119.74 116.52 1i9p s LYS 154 Ca 0.61 -1.08 -0.32 0.00 -1.56 0.00 0.00 55.97 53.61 1i9p s LYS 154 Cb -0.30 -3.59 -0.10 0.00 -1.46 0.00 0.00 37.83 32.39 1i9p s LYS 154 CO 0.37 -0.65 1.57 -1.35 0.16 0.00 0.00 175.35 175.45 1i9p h PRO 155 N 8.33 -0.58 0.00 4.03 0.11 -1.92 -2.30 132.00 139.67 1i9p h PRO 155 Ca -0.25 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1i9p h PRO 155 Cb 1.10 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1i9p h PRO 155 CO 0.63 -0.39 0.20 0.41 -0.21 0.00 0.00 178.00 178.65 1i9p n GLY 156 N -1.45 -0.65 0.10 -0.55 0.00 -1.26 -1.09 105.19 100.29 1i9p n GLY 156 Ca -0.06 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1i9p n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i9p n LEU 157 N -2.02 0.85 -0.28 0.99 7.94 -0.87 -4.47 117.00 119.16 1i9p n LEU 157 Ca -0.01 0.36 0.09 0.00 -1.11 0.00 0.00 56.01 55.34 1i9p n LEU 157 Cb 0.22 0.02 0.33 0.00 0.53 0.00 0.00 43.42 44.52 1i9p n LEU 157 CO 0.06 0.02 1.23 -0.61 -1.11 0.00 0.00 177.39 176.97 1i9p h GLN 158 N 0.00 0.78 0.00 1.96 5.75 -1.11 -1.25 115.11 121.24 1i9p h GLN 158 Ca -0.10 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.30 1i9p h GLN 158 Cb 1.36 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1i9p h GLN 158 CO 0.03 0.52 -0.26 0.87 -2.65 0.00 0.00 178.83 177.34 1i9p h LYS 159 N 0.81 0.00 -0.14 1.69 1.57 -1.78 -1.08 116.57 117.64 1i9p h LYS 159 Ca 0.43 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.15 1i9p h LYS 159 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1i9p h LYS 159 CO -0.19 0.26 -0.14 0.28 -0.57 0.00 0.00 179.45 179.09 1i9p h VAL 160 N 0.00 1.35 -0.93 0.50 2.07 -1.52 -3.19 116.25 114.53 1i9p h VAL 160 Ca -0.00 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1i9p h VAL 160 Cb 0.46 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1i9p h VAL 160 CO 0.03 0.38 0.61 0.58 0.02 0.00 0.00 177.57 179.19 1i9p h VAL 161 N -0.03 1.21 0.00 2.57 2.07 -0.96 -2.69 116.25 118.42 1i9p h VAL 161 Ca 0.02 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1i9p h VAL 161 Cb 0.66 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1i9p h VAL 161 CO 0.03 0.22 0.00 0.44 0.02 0.00 0.00 177.57 178.29 1i9p h ASP 162 N 1.22 0.00 0.00 0.57 3.32 -1.24 -3.12 116.42 117.18 1i9p h ASP 162 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1i9p h ASP 162 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1i9p h ASP 162 CO -0.09 0.00 -1.37 0.55 -1.72 0.00 0.00 179.24 176.62 1i9p n VAL 163 N -2.56 0.00 -0.25 -1.35 3.14 -1.02 -4.55 118.33 111.74 1i9p n VAL 163 Ca 0.02 -0.21 0.14 0.00 -2.96 0.00 0.00 64.34 61.33 1i9p n VAL 163 Cb 0.26 0.59 0.42 0.00 -1.06 0.00 0.00 33.84 34.06 1i9p n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1i9p h LEU 164 N 0.00 0.56 -2.30 6.55 3.38 -1.49 -1.47 115.31 120.54 1i9p h LEU 164 Ca 0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1i9p h LEU 164 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1i9p h LEU 164 CO 0.00 0.27 0.16 0.44 0.09 0.00 0.00 178.44 179.40 1i9p h ASP 165 N 0.59 0.00 0.53 -0.43 3.32 -1.80 -1.13 116.42 117.50 1i9p h ASP 165 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1i9p h ASP 165 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1i9p h ASP 165 CO -0.20 0.00 -0.44 -1.54 -1.72 0.00 0.00 179.24 175.35 1i9p n SER 166 N -3.72 0.48 -1.28 6.45 3.41 -0.55 -3.97 113.62 114.44 1i9p n SER 166 Ca 0.00 -0.22 -0.02 0.00 -0.26 0.00 0.00 58.87 58.37 1i9p n SER 166 Cb 0.27 0.17 0.12 0.00 -0.26 0.00 0.00 64.21 64.51 1i9p n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1i9p n ILE 167 N -1.45 1.85 -0.29 -1.33 -6.64 -0.45 -4.69 119.36 106.37 1i9p n ILE 167 Ca 0.06 -3.09 0.10 0.00 -1.77 0.00 0.00 62.75 58.05 1i9p n ILE 167 Cb 0.34 -0.13 0.26 0.00 -1.44 0.00 0.00 39.64 38.66 1i9p n ILE 167 CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 1i9p h LYS 168 N 1.42 0.38 -6.09 6.28 3.64 -1.63 -3.42 116.57 117.16 1i9p h LYS 168 Ca 0.04 -0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.85 1i9p h LYS 168 Cb 1.30 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1i9p h LYS 168 CO 0.22 0.25 -0.55 0.95 -2.27 0.00 0.00 179.45 178.05 1i9p s THR 169 N -5.94 2.99 0.09 1.00 -4.23 -1.26 -0.61 115.64 107.68 1i9p s THR 169 Ca -0.12 -1.73 -0.34 0.00 -1.18 0.00 0.00 61.69 58.32 1i9p s THR 169 Cb 0.24 -2.96 -0.14 0.00 1.34 0.00 0.00 72.50 70.98 1i9p s THR 169 CO 0.77 -0.19 1.63 1.17 -0.54 0.00 0.00 174.62 177.46 1i9p n LYS 170 N -1.12 2.06 0.00 3.99 4.81 -0.59 -2.10 118.16 125.21 1i9p n LYS 170 Ca -0.03 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1i9p n LYS 170 Cb 0.61 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1i9p n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i9p n GLY 171 N 3.58 3.39 3.76 3.14 0.00 0.48 -4.46 105.19 115.08 1i9p n GLY 171 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1i9p n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i9p s LYS 172 N -0.92 4.58 0.09 1.61 -0.14 -0.89 -4.83 119.74 119.23 1i9p s LYS 172 Ca 0.00 1.79 0.02 0.00 -1.36 0.00 0.00 55.97 56.42 1i9p s LYS 172 Cb 0.00 -3.12 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 1i9p s LYS 172 CO 0.00 0.16 -0.08 -1.54 -0.76 0.00 0.00 175.35 173.14 1i9p s SER 173 N -0.94 1.17 0.02 2.83 1.04 -1.26 -1.31 113.70 115.26 1i9p s SER 173 Ca 0.46 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1i9p s SER 173 Cb -0.31 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1i9p s SER 173 CO 0.40 -0.37 -0.06 0.00 0.98 0.00 0.00 173.24 174.19 1i9p s ALA 174 N -2.95 0.44 0.32 5.32 0.00 0.37 -4.90 121.76 120.37 1i9p s ALA 174 Ca 0.07 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1i9p s ALA 174 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 23.12 23.02 1i9p s ALA 174 CO -0.03 0.01 1.37 -0.51 0.00 0.00 0.00 175.76 176.61 1i9p s ASP 175 N -0.97 6.66 -0.43 0.00 1.01 -1.26 -1.70 116.67 119.97 1i9p s ASP 175 Ca -0.06 2.76 0.04 0.00 0.71 0.00 0.00 52.55 56.00 1i9p s ASP 175 Cb -0.07 -2.65 0.17 0.00 1.01 0.00 0.00 42.92 41.39 1i9p s ASP 175 CO 0.00 -0.64 0.43 0.12 0.21 0.00 0.00 175.17 175.29 1i9p s PHE 176 N -0.87 0.25 0.30 4.23 5.36 -0.62 -4.77 117.98 121.85 1i9p s PHE 176 Ca 0.52 -1.68 0.07 0.00 -0.96 0.00 0.00 56.93 54.88 1i9p s PHE 176 Cb -0.42 -0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 41.68 1i9p s PHE 176 CO 0.53 -0.95 0.32 0.95 -1.46 0.00 0.00 175.22 174.61 1i9p s THR 177 N 0.49 4.15 -1.57 0.12 -4.23 -1.26 -2.85 115.64 110.49 1i9p s THR 177 Ca 0.29 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 1i9p s THR 177 Cb -0.01 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.44 1i9p s THR 177 CO -0.13 -0.24 0.46 0.59 -0.54 0.00 0.00 174.62 174.77 1i9p n ASN 178 N -1.40 -5.86 -4.75 3.99 4.13 -1.26 -4.97 115.26 105.14 1i9p n ASN 178 Ca -0.04 -0.23 -0.38 0.00 1.68 0.00 0.00 54.58 55.61 1i9p n ASN 178 Cb 0.58 -4.78 -0.06 0.00 -1.54 0.00 0.00 39.78 33.99 1i9p n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1i9p s PHE 179 N -3.12 3.58 -0.40 3.10 5.36 -1.26 -5.02 117.98 120.22 1i9p s PHE 179 Ca 0.24 0.96 -0.14 0.00 -0.96 0.00 0.00 56.93 57.04 1i9p s PHE 179 Cb -0.11 -2.52 0.02 0.00 -0.34 0.00 0.00 43.02 40.07 1i9p s PHE 179 CO 0.30 0.28 0.28 0.34 -1.46 0.00 0.00 175.22 174.96 1i9p s ASP 180 N 0.20 6.04 0.51 6.13 -1.08 -1.26 -4.44 116.67 122.76 1i9p s ASP 180 Ca 0.26 -0.86 0.27 0.00 -0.52 0.00 0.00 52.55 51.70 1i9p s ASP 180 Cb -0.16 -2.13 1.37 0.00 -1.46 0.00 0.00 42.92 40.54 1i9p s ASP 180 CO 0.12 -0.41 2.03 -0.65 0.52 0.00 0.00 175.17 176.78 1i9p h PRO 181 N 8.58 0.00 0.00 4.34 0.11 -1.95 -2.80 132.00 140.28 1i9p h PRO 181 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1i9p h PRO 181 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1i9p h PRO 181 CO 0.71 0.14 0.02 0.54 -0.21 0.00 0.00 178.00 179.19 1i9p n ARG 182 N -3.59 0.13 0.00 1.05 1.74 -1.26 -0.61 116.66 114.12 1i9p n ARG 182 Ca -0.01 0.63 0.15 0.00 -0.77 0.00 0.00 57.85 57.84 1i9p n ARG 182 Cb 0.27 -1.94 0.74 0.00 -1.02 0.00 0.00 32.46 30.51 1i9p n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i9p n GLY 183 N -1.31 -1.28 0.86 -0.13 0.00 -1.06 -3.46 105.19 98.82 1i9p n GLY 183 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1i9p n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i9p n LEU 184 N -1.29 3.12 -4.85 0.99 4.77 0.22 -4.31 117.00 115.66 1i9p n LEU 184 Ca 0.14 -1.79 -0.38 0.00 -0.03 0.00 0.00 56.01 53.95 1i9p n LEU 184 Cb 0.24 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1i9p n LEU 184 CO 0.23 0.75 -0.01 -0.76 -1.33 0.00 0.00 177.39 176.27 1i9p s LEU 185 N -1.07 4.43 1.22 2.23 1.43 -1.22 -4.98 118.68 120.72 1i9p s LEU 185 Ca 0.30 0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 53.95 1i9p s LEU 185 Cb 0.16 -2.37 0.30 0.00 0.03 0.00 0.00 46.19 44.31 1i9p s LEU 185 CO 0.22 0.34 1.11 -2.16 0.23 0.00 0.00 176.35 176.10 1i9p s PRO 186 N -0.97 -1.38 0.02 1.29 0.04 -1.26 -4.96 135.00 127.77 1i9p s PRO 186 Ca 0.20 -0.13 -0.25 0.00 0.04 0.00 0.00 61.00 60.86 1i9p s PRO 186 Cb -0.15 -1.58 -0.18 0.00 0.04 0.00 0.00 34.50 32.63 1i9p s PRO 186 CO 0.09 -3.80 1.40 0.93 0.04 0.00 0.00 177.00 175.66 1i9p h GLU 187 N -2.65 -0.09 -6.48 4.56 5.08 -1.92 -3.45 114.58 109.63 1i9p h GLU 187 Ca -0.44 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.40 1i9p h GLU 187 Cb 1.29 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1i9p h GLU 187 CO 0.32 0.22 -0.10 0.45 -1.00 0.00 0.00 179.01 178.90 1i9p s SER 188 N -5.41 6.57 -0.26 1.42 0.15 -1.26 -5.02 113.70 109.89 1i9p s SER 188 Ca -0.15 0.89 0.10 0.00 0.70 0.00 0.00 55.95 57.49 1i9p s SER 188 Cb 0.03 -2.21 0.48 0.00 -1.71 0.00 0.00 66.02 62.61 1i9p s SER 188 CO 0.64 -0.13 1.39 0.18 1.20 0.00 0.00 173.24 176.53 1i9p n LEU 189 N -0.42 3.71 -4.77 3.45 4.77 -1.26 -4.77 117.00 117.72 1i9p n LEU 189 Ca 0.00 -3.77 -0.40 0.00 -0.03 0.00 0.00 56.01 51.82 1i9p n LEU 189 Cb 0.53 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1i9p n LEU 189 CO 0.46 1.26 0.91 -1.81 -1.33 0.00 0.00 177.39 176.89 1i9p s ASP 190 N -2.70 6.76 0.23 -1.43 1.01 -1.26 -4.74 116.67 114.54 1i9p s ASP 190 Ca 0.42 2.54 -0.10 0.00 0.71 0.00 0.00 52.55 56.12 1i9p s ASP 190 Cb 0.39 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1i9p s ASP 190 CO -0.02 -0.52 0.39 -0.72 0.21 0.00 0.00 175.17 174.51 1i9p s TYR 191 N -1.21 0.56 0.09 4.23 -0.85 -1.26 -0.96 117.35 117.94 1i9p s TYR 191 Ca 0.51 -0.88 0.09 0.00 -0.52 0.00 0.00 57.07 56.27 1i9p s TYR 191 Cb -0.36 0.00 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 1i9p s TYR 191 CO 0.47 -0.90 -0.23 -1.58 -1.52 0.00 0.00 175.55 171.80 1i9p s TRP 192 N -4.05 2.42 0.02 -3.49 0.51 -0.42 -1.34 118.94 112.59 1i9p s TRP 192 Ca 0.26 -0.33 0.00 0.00 -2.12 0.00 0.00 56.10 53.91 1i9p s TRP 192 Cb 0.01 -1.35 -0.02 0.00 -0.81 0.00 0.00 33.47 31.31 1i9p s TRP 192 CO 0.09 0.28 -0.03 -0.08 -0.51 0.00 0.00 176.95 176.70 1i9p s THR 193 N -0.99 0.17 -0.14 2.01 -1.32 -0.46 -1.33 115.64 113.59 1i9p s THR 193 Ca 0.15 -0.79 -0.30 0.00 -1.21 0.00 0.00 61.69 59.53 1i9p s THR 193 Cb -0.10 -0.28 0.12 0.00 -1.51 0.00 0.00 72.50 70.72 1i9p s THR 193 CO 0.06 -0.39 0.94 -0.72 -2.21 0.00 0.00 174.62 172.29 1i9p s TYR 194 N -1.21 -0.42 0.03 9.09 1.13 -1.09 -1.77 117.35 123.11 1i9p s TYR 194 Ca -0.12 0.72 -0.30 0.00 -1.41 0.00 0.00 57.07 55.95 1i9p s TYR 194 Cb -0.08 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1i9p s TYR 194 CO -0.01 -0.40 1.11 -1.25 -2.51 0.00 0.00 175.55 172.50 1i9p s PRO 195 N -1.16 4.47 0.00 -3.49 0.04 -1.26 -1.40 135.00 132.20 1i9p s PRO 195 Ca -0.03 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1i9p s PRO 195 Cb -0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1i9p s PRO 195 CO 0.03 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1i9p n GLY 196 N 3.11 4.90 3.57 0.56 0.00 0.77 -4.83 105.19 113.27 1i9p n GLY 196 Ca 0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 1i9p n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i9p s SER 197 N 1.40 0.66 0.40 1.61 1.04 -1.16 -3.01 113.70 114.64 1i9p s SER 197 Ca 0.00 -1.38 -0.25 0.00 0.48 0.00 0.00 55.95 54.81 1i9p s SER 197 Cb 0.00 0.70 -0.08 0.00 0.10 0.00 0.00 66.02 66.74 1i9p s SER 197 CO 0.00 -1.38 1.15 -0.76 0.98 0.00 0.00 173.24 173.23 1i9p s LEU 198 N -3.19 4.18 0.00 2.42 1.43 -0.63 -4.50 118.68 118.39 1i9p s LEU 198 Ca 0.27 2.30 0.16 0.00 -1.03 0.00 0.00 54.13 55.83 1i9p s LEU 198 Cb -0.02 -4.05 0.47 0.00 0.03 0.00 0.00 46.19 42.62 1i9p s LEU 198 CO 0.18 -0.67 1.38 0.35 0.23 0.00 0.00 176.35 177.82 1i9p n THR 199 N 0.03 0.52 -4.11 5.49 -2.24 -1.26 -4.37 114.28 108.34 1i9p n THR 199 Ca 0.05 -0.57 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1i9p n THR 199 Cb 0.47 0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 1i9p n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1i9p s THR 200 N -1.48 0.57 0.51 4.28 -4.23 -1.26 -4.73 115.64 109.30 1i9p s THR 200 Ca 0.31 -1.50 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 1i9p s THR 200 Cb 0.17 -1.12 -0.08 0.00 1.34 0.00 0.00 72.50 72.81 1i9p s THR 200 CO 0.23 -0.64 1.05 -2.65 -0.54 0.00 0.00 174.62 172.06 1i9p n PRO 201 N 0.72 1.26 0.00 3.99 -0.02 -1.26 0.08 135.00 139.77 1i9p n PRO 201 Ca -0.18 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1i9p n PRO 201 Cb 0.58 -2.18 0.29 0.00 -0.02 0.00 0.00 33.50 32.16 1i9p n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1i9p n PRO 202 N -0.44 0.13 -2.19 0.52 -0.02 -1.26 -5.00 135.00 126.74 1i9p n PRO 202 Ca 0.11 0.20 -0.17 0.00 -2.02 0.00 0.00 63.50 61.63 1i9p n PRO 202 Cb 0.43 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 1i9p n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1i9p n LEU 203 N -1.34 -1.67 -4.73 2.45 4.77 0.11 -4.89 117.00 111.71 1i9p n LEU 203 Ca 0.05 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1i9p n LEU 203 Cb 0.10 -2.42 -0.02 0.00 -2.33 0.00 0.00 43.42 38.75 1i9p n LEU 203 CO 0.09 -0.28 1.20 0.18 -1.33 0.00 0.00 177.39 177.25 1i9p n LEU 204 N -2.30 4.07 -3.83 2.23 4.77 -1.26 -4.37 117.00 116.31 1i9p n LEU 204 Ca -0.19 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.51 1i9p n LEU 204 Cb 0.63 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1i9p n LEU 204 CO 0.23 0.01 1.96 -0.62 -1.33 0.00 0.00 177.39 177.64 1i9p n GLU 205 N 2.21 3.78 -0.90 3.23 1.02 -1.26 -1.61 120.64 127.11 1i9p n GLU 205 Ca 0.10 -3.58 0.04 0.00 -0.02 0.00 0.00 57.16 53.70 1i9p n GLU 205 Cb 0.35 -2.87 0.07 0.00 -0.02 0.00 0.00 31.44 28.98 1i9p n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i9p s VAL 207 N -1.11 2.26 -0.35 0.00 1.01 -1.16 -0.92 120.40 120.14 1i9p s VAL 207 Ca 0.27 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1i9p s VAL 207 Cb 0.29 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1i9p s VAL 207 CO -0.09 0.56 0.42 -0.89 0.00 0.00 0.00 175.10 175.10 1i9p s THR 208 N 0.23 5.11 -0.01 3.92 2.01 -0.12 -0.16 115.64 126.62 1i9p s THR 208 Ca -0.14 0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 1i9p s THR 208 Cb -0.17 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1i9p s THR 208 CO 0.07 -0.14 0.52 0.26 -0.69 0.00 0.00 174.62 174.64 1i9p s TRP 209 N 2.16 3.69 -0.33 4.92 0.52 -0.49 -2.34 118.94 127.07 1i9p s TRP 209 Ca 0.14 1.10 -0.00 0.00 0.02 0.00 0.00 56.10 57.37 1i9p s TRP 209 Cb -0.16 -2.49 0.10 0.00 -1.15 0.00 0.00 33.47 29.78 1i9p s TRP 209 CO 0.12 0.45 0.11 0.42 0.02 0.00 0.00 176.95 178.08 1i9p s ILE 210 N -0.50 1.03 -0.29 2.03 1.01 -0.89 -2.67 121.20 120.93 1i9p s ILE 210 Ca 0.28 -1.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.20 1i9p s ILE 210 Cb -0.18 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1i9p s ILE 210 CO 0.15 -0.70 0.27 -0.69 0.00 0.00 0.00 174.94 173.97 1i9p s VAL 211 N 1.43 5.25 0.28 2.92 1.01 -0.44 -0.60 120.40 130.24 1i9p s VAL 211 Ca 0.11 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1i9p s VAL 211 Cb -0.18 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1i9p s VAL 211 CO -0.21 0.18 1.17 -0.76 0.00 0.00 0.00 175.10 175.47 1i9p s LEU 212 N 1.88 4.51 0.06 3.92 1.43 -0.22 -1.30 118.68 128.95 1i9p s LEU 212 Ca 0.10 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.38 1i9p s LEU 212 Cb -0.16 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.31 1i9p s LEU 212 CO 0.11 -0.27 1.37 0.50 0.23 0.00 0.00 176.35 178.28 1i9p h LYS 213 N 3.95 0.49 -5.85 1.70 3.64 -1.39 -3.43 116.57 115.68 1i9p h LYS 213 Ca -0.47 -0.26 -0.58 0.00 -1.27 0.00 0.00 60.65 58.06 1i9p h LYS 213 Cb 1.22 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 1i9p h LYS 213 CO 0.68 0.84 0.28 -2.00 -2.27 0.00 0.00 179.45 176.99 1i9p s GLU 214 N -4.30 4.27 0.55 1.90 2.12 -1.26 -5.03 118.70 116.95 1i9p s GLU 214 Ca -0.13 0.87 -0.07 0.00 0.36 0.00 0.00 54.97 55.99 1i9p s GLU 214 Cb 0.07 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1i9p s GLU 214 CO 0.78 -0.28 0.89 -1.25 -0.54 0.00 0.00 175.26 174.86 1i9p s PRO 215 N 2.02 3.38 0.08 4.30 0.04 -1.26 -4.70 135.00 138.86 1i9p s PRO 215 Ca 0.35 0.32 0.02 0.00 0.04 0.00 0.00 61.00 61.73 1i9p s PRO 215 Cb -0.16 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1i9p s PRO 215 CO 0.12 -0.45 0.12 0.96 0.04 0.00 0.00 177.00 177.78 1i9p s ILE 216 N -2.95 4.76 0.03 0.56 -4.36 -0.22 -4.90 121.20 114.12 1i9p s ILE 216 Ca 0.51 -0.69 -0.14 0.00 -0.26 0.00 0.00 60.65 60.07 1i9p s ILE 216 Cb -0.11 -3.31 -0.06 0.00 1.25 0.00 0.00 42.46 40.23 1i9p s ILE 216 CO 0.48 0.11 0.43 -0.44 0.24 0.00 0.00 174.94 175.76 1i9p s SER 217 N -2.48 6.81 0.02 4.36 0.01 -1.26 -1.35 113.70 119.80 1i9p s SER 217 Ca 0.31 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1i9p s SER 217 Cb -0.12 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 1i9p s SER 217 CO 0.24 0.29 -0.03 0.68 0.41 0.00 0.00 173.24 174.83 1i9p s VAL 218 N -1.15 0.10 0.62 3.43 -7.23 -0.42 -3.74 120.40 112.01 1i9p s VAL 218 Ca 0.26 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.55 1i9p s VAL 218 Cb -0.16 -0.23 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 1i9p s VAL 218 CO 0.15 -0.43 1.00 -0.94 -0.31 0.00 0.00 175.10 174.56 1i9p s SER 219 N -1.27 5.85 0.24 4.85 1.04 -1.03 0.39 113.70 123.77 1i9p s SER 219 Ca -0.14 1.13 -0.06 0.00 0.48 0.00 0.00 55.95 57.36 1i9p s SER 219 Cb -0.09 -2.12 0.31 0.00 0.10 0.00 0.00 66.02 64.23 1i9p s SER 219 CO -0.01 -1.03 1.85 0.28 0.98 0.00 0.00 173.24 175.32 1i9p h SER 220 N -0.33 0.83 -0.72 7.02 0.02 -1.93 -1.98 113.55 116.46 1i9p h SER 220 Ca -0.45 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 1i9p h SER 220 Cb 1.23 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1i9p h SER 220 CO 0.62 0.54 0.19 -0.33 -1.14 0.00 0.00 176.83 176.72 1i9p h GLU 221 N 0.97 1.14 -0.24 3.45 3.07 -1.95 0.25 114.58 121.28 1i9p h GLU 221 Ca 0.36 -0.27 0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1i9p h GLU 221 Cb 0.13 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1i9p h GLU 221 CO -0.16 1.00 0.13 1.96 -1.40 0.00 0.00 179.01 180.54 1i9p h GLN 222 N 1.09 0.26 -0.06 2.33 4.20 -1.78 -2.42 115.11 118.73 1i9p h GLN 222 Ca 0.23 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 1i9p h GLN 222 Cb 0.36 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1i9p h GLN 222 CO -0.00 0.17 -0.57 0.28 -0.67 0.00 0.00 178.83 178.04 1i9p h VAL 223 N 0.27 1.38 -0.88 -0.54 2.07 -1.16 -2.88 116.25 114.50 1i9p h VAL 223 Ca 0.09 -1.92 0.05 0.00 0.82 0.00 0.00 66.70 65.74 1i9p h VAL 223 Cb 0.01 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1i9p h VAL 223 CO -0.05 0.56 0.56 0.25 0.02 0.00 0.00 177.57 178.91 1i9p h LEU 224 N 0.14 0.91 -1.50 2.57 5.85 -0.16 -2.36 115.31 120.76 1i9p h LEU 224 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1i9p h LEU 224 Cb 1.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1i9p h LEU 224 CO 0.09 0.61 -0.14 0.11 -0.34 0.00 0.00 178.44 178.77 1i9p h LYS 225 N 1.06 0.15 -0.47 1.25 1.57 -1.22 -2.32 116.57 116.59 1i9p h LYS 225 Ca 0.37 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1i9p h LYS 225 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1i9p h LYS 225 CO -0.14 0.30 0.26 0.74 -0.57 0.00 0.00 179.45 180.03 1i9p h PHE 226 N 0.15 0.64 0.00 -1.35 -1.00 -1.46 -2.79 116.94 111.13 1i9p h PHE 226 Ca 0.03 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1i9p h PHE 226 Cb 0.34 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1i9p h PHE 226 CO 0.00 0.48 0.00 0.54 -1.61 0.00 0.00 178.31 177.72 1i9p n ARG 227 N -4.68 0.10 0.00 1.51 1.74 -0.88 -2.26 116.66 112.19 1i9p n ARG 227 Ca 0.02 0.55 0.13 0.00 -0.77 0.00 0.00 57.85 57.78 1i9p n ARG 227 Cb 0.08 -1.80 0.45 0.00 -1.02 0.00 0.00 32.46 30.17 1i9p n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1i9p n LYS 228 N -2.01 1.25 -1.44 5.56 5.02 -1.05 -4.42 118.16 121.07 1i9p n LYS 228 Ca -0.00 -0.73 -0.29 0.00 -2.02 0.00 0.00 58.31 55.27 1i9p n LYS 228 Cb 0.06 -1.48 0.14 0.00 -0.02 0.00 0.00 35.03 33.72 1i9p n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i9p s LEU 229 N -2.26 2.04 -0.01 -0.35 1.43 -0.96 -4.89 118.68 113.68 1i9p s LEU 229 Ca 0.31 1.10 0.07 0.00 -1.03 0.00 0.00 54.13 54.58 1i9p s LEU 229 Cb 0.20 -3.45 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 1i9p s LEU 229 CO 0.43 -2.58 -0.21 0.20 0.23 0.00 0.00 176.35 174.41 1i9p s ASN 230 N -3.85 2.51 0.05 2.29 0.02 0.22 -0.85 114.94 115.33 1i9p s ASN 230 Ca 0.64 -0.40 -0.16 0.00 -1.02 0.00 0.00 52.86 51.91 1i9p s ASN 230 Cb -0.16 -0.27 -0.21 0.00 0.02 0.00 0.00 41.25 40.63 1i9p s ASN 230 CO 0.55 0.25 1.19 -0.26 0.02 0.00 0.00 177.10 178.85 1i9p h PHE 231 N 5.51 0.85 -4.28 2.20 0.04 -1.25 -3.35 116.94 116.66 1i9p h PHE 231 Ca -0.40 -0.43 -0.51 0.00 2.80 0.00 0.00 57.97 59.43 1i9p h PHE 231 Cb 1.14 -0.11 0.09 0.00 2.20 0.00 0.00 35.95 39.27 1i9p h PHE 231 CO 0.41 1.25 0.37 0.54 -0.60 0.00 0.00 178.31 180.27 1i9p s ASN 232 N -6.97 5.40 0.94 2.17 4.22 -1.26 -4.41 114.94 115.03 1i9p s ASN 232 Ca -0.12 1.72 -0.13 0.00 -2.14 0.00 0.00 52.86 52.20 1i9p s ASN 232 Cb 0.06 -2.51 0.20 0.00 1.28 0.00 0.00 41.25 40.28 1i9p s ASN 232 CO 0.87 -1.43 1.22 0.61 -2.04 0.00 0.00 177.10 176.33 1i9p n GLY 233 N -1.50 -1.03 3.77 0.45 0.00 -1.26 -1.54 105.19 104.08 1i9p n GLY 233 Ca 0.08 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 1i9p n GLY 233 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9p s GLU 234 N -5.65 4.28 0.00 1.61 2.12 -1.26 -2.84 118.70 116.96 1i9p s GLU 234 Ca 0.71 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.96 1i9p s GLU 234 Cb -0.02 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1i9p s GLU 234 CO 0.49 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 1i9p n GLY 235 N 0.81 3.03 3.91 -1.50 0.00 -1.26 -5.02 105.19 105.16 1i9p n GLY 235 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1i9p n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i9p s GLU 236 N -0.30 2.87 0.67 1.61 2.02 -1.13 -5.03 118.70 119.41 1i9p s GLU 236 Ca 0.00 0.06 -0.17 0.00 0.02 0.00 0.00 54.97 54.87 1i9p s GLU 236 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1i9p s GLU 236 CO 0.00 -0.78 1.25 -2.14 0.02 0.00 0.00 175.26 173.61 1i9p s PRO 237 N -5.06 2.47 -0.24 0.39 0.02 -1.26 -4.90 135.00 126.41 1i9p s PRO 237 Ca 0.55 1.92 -0.24 0.00 0.02 0.00 0.00 61.00 63.24 1i9p s PRO 237 Cb -0.11 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 1i9p s PRO 237 CO 0.46 -1.62 0.82 -2.00 -0.33 0.00 0.00 177.00 174.34 1i9p s GLU 238 N -3.55 4.18 -0.17 5.54 2.12 -1.26 -4.70 118.70 120.85 1i9p s GLU 238 Ca 0.79 0.94 0.00 0.00 0.36 0.00 0.00 54.97 57.06 1i9p s GLU 238 Cb -0.33 -3.64 0.04 0.00 0.26 0.00 0.00 34.13 30.45 1i9p s GLU 238 CO 0.40 -0.51 -0.09 -1.83 -0.54 0.00 0.00 175.26 172.69 1i9p s GLU 239 N 2.83 1.82 0.33 4.30 -1.05 -1.26 -5.05 118.70 120.62 1i9p s GLU 239 Ca 0.35 -0.64 -0.29 0.00 -0.15 0.00 0.00 54.97 54.23 1i9p s GLU 239 Cb -0.15 -2.17 -0.11 0.00 -0.44 0.00 0.00 34.13 31.26 1i9p s GLU 239 CO 0.07 -0.39 1.56 -0.51 0.95 0.00 0.00 175.26 176.94 1i9p s LEU 240 N 1.52 4.33 -1.05 1.83 1.43 -1.26 -0.85 118.68 124.62 1i9p s LEU 240 Ca 0.01 3.00 -0.20 0.00 -1.03 0.00 0.00 54.13 55.91 1i9p s LEU 240 Cb -0.15 -3.65 0.10 0.00 0.03 0.00 0.00 46.19 42.52 1i9p s LEU 240 CO -0.08 -0.91 1.38 -0.32 0.23 0.00 0.00 176.35 176.65 1i9p s MET 241 N -1.15 3.72 0.14 1.70 -2.45 -0.03 -4.62 119.30 116.60 1i9p s MET 241 Ca 0.59 -1.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.38 1i9p s MET 241 Cb -0.47 -5.20 -0.04 0.00 1.25 0.00 0.00 34.83 30.36 1i9p s MET 241 CO 0.54 -2.01 0.02 0.14 1.05 0.00 0.00 175.02 174.75 1i9p s VAL 242 N 3.67 0.40 -1.42 10.11 -7.23 -1.26 -4.50 120.40 120.16 1i9p s VAL 242 Ca 0.42 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1i9p s VAL 242 Cb -0.01 -2.00 0.04 0.00 0.56 0.00 0.00 36.38 34.97 1i9p s VAL 242 CO -0.06 -0.55 0.79 0.47 -0.31 0.00 0.00 175.10 175.44 1i9p n ASP 243 N -0.13 -2.61 -3.29 4.85 8.00 -0.17 -4.85 116.55 118.36 1i9p n ASP 243 Ca -0.07 -0.83 -0.38 0.00 0.71 0.00 0.00 54.79 54.22 1i9p n ASP 243 Cb 0.63 -3.85 -0.00 0.00 -0.02 0.00 0.00 41.12 37.88 1i9p n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1i9p n ASN 244 N -2.95 7.54 -4.15 -2.24 6.94 -1.00 -4.92 115.26 114.49 1i9p n ASN 244 Ca -0.15 -3.36 -0.17 0.00 -0.02 0.00 0.00 54.58 50.88 1i9p n ASN 244 Cb 0.61 -1.26 -0.12 0.00 -2.36 0.00 0.00 39.78 36.65 1i9p n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1i9p s TRP 245 N -2.36 1.07 -0.13 -2.53 1.48 -1.26 -4.57 118.94 110.64 1i9p s TRP 245 Ca 0.51 -0.49 -0.08 0.00 -1.06 0.00 0.00 56.10 54.98 1i9p s TRP 245 Cb 0.25 -0.60 -0.04 0.00 -1.16 0.00 0.00 33.47 31.91 1i9p s TRP 245 CO -0.16 0.02 0.15 0.50 -4.06 0.00 0.00 176.95 173.40 1i9p s ARG 246 N -1.85 3.58 0.81 3.25 3.52 -1.26 -4.98 118.95 122.02 1i9p s ARG 246 Ca -0.03 -0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.34 1i9p s ARG 246 Cb -0.09 -3.23 0.08 0.00 -1.56 0.00 0.00 34.95 30.15 1i9p s ARG 246 CO 0.02 0.70 1.09 -1.25 -0.81 0.00 0.00 175.30 175.04 1i9p s PRO 247 N -0.80 1.99 0.48 5.12 0.04 -1.26 -4.72 135.00 135.85 1i9p s PRO 247 Ca 0.14 1.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.01 1i9p s PRO 247 Cb -0.12 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1i9p s PRO 247 CO 0.03 -1.80 1.31 0.00 0.04 0.00 0.00 177.00 176.58 1i9p n ALA 248 N -3.62 1.47 -2.64 8.56 0.00 -1.26 -4.40 120.51 118.62 1i9p n ALA 248 Ca 0.08 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.50 1i9p n ALA 248 Cb 0.54 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 1i9p n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1i9p s GLN 249 N -2.53 2.64 0.32 0.00 -1.52 0.17 -4.95 119.66 113.79 1i9p s GLN 249 Ca 0.66 -1.29 -0.29 0.00 -1.95 0.00 0.00 55.36 52.49 1i9p s GLN 249 Cb -0.46 -2.38 -0.10 0.00 -0.22 0.00 0.00 33.01 29.85 1i9p s GLN 249 CO 0.54 0.25 1.36 -2.14 -0.25 0.00 0.00 175.29 175.06 1i9p s PRO 250 N -3.85 4.30 0.36 2.91 0.02 -1.26 -4.55 135.00 132.92 1i9p s PRO 250 Ca 0.36 2.29 0.12 0.00 0.02 0.00 0.00 61.00 63.79 1i9p s PRO 250 Cb -0.06 -3.07 0.67 0.00 0.02 0.00 0.00 34.50 32.06 1i9p s PRO 250 CO 0.24 -0.29 1.80 1.25 -0.33 0.00 0.00 177.00 179.66 1i9p h LEU 251 N 3.72 0.01 0.00 -5.54 5.85 -1.93 -3.44 115.31 113.98 1i9p h LEU 251 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1i9p h LEU 251 Cb 1.23 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1i9p h LEU 251 CO 0.68 0.41 0.00 0.29 -0.34 0.00 0.00 178.44 179.48 1i9p n LYS 252 N -4.06 0.00 -2.34 1.25 4.76 -1.26 -3.11 118.16 113.41 1i9p n LYS 252 Ca -0.02 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 1i9p n LYS 252 Cb 0.43 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.63 1i9p n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1i9p n ASN 253 N 2.67 7.56 -4.26 4.39 5.03 -1.26 -4.94 115.26 124.45 1i9p n ASN 253 Ca 0.00 -3.40 -0.19 0.00 0.87 0.00 0.00 54.58 51.86 1i9p n ASN 253 Cb 0.00 -1.28 -0.11 0.00 -1.02 0.00 0.00 39.78 37.37 1i9p n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1i9p s ARG 254 N -2.59 1.06 -0.05 3.52 0.52 -1.18 -5.13 118.95 115.10 1i9p s ARG 254 Ca 0.46 -1.24 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 1i9p s ARG 254 Cb 0.18 -1.02 -0.00 0.00 0.52 0.00 0.00 34.95 34.63 1i9p s ARG 254 CO -0.10 0.20 -0.18 -1.14 0.02 0.00 0.00 175.30 174.11 1i9p s GLN 255 N -2.56 1.97 -0.31 3.54 0.74 -1.26 -5.04 119.66 116.74 1i9p s GLN 255 Ca 0.09 -0.63 -0.15 0.00 0.05 0.00 0.00 55.36 54.72 1i9p s GLN 255 Cb -0.06 -1.66 -0.02 0.00 1.10 0.00 0.00 33.01 32.37 1i9p s GLN 255 CO 0.04 0.21 0.39 0.42 -0.55 0.00 0.00 175.29 175.80 1i9p s ILE 256 N 0.16 5.15 0.23 -2.34 1.01 -1.26 -4.70 121.20 119.44 1i9p s ILE 256 Ca -0.07 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 1i9p s ILE 256 Cb -0.13 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1i9p s ILE 256 CO 0.03 -0.00 0.47 -0.54 0.00 0.00 0.00 174.94 174.90 1i9p s LYS 257 N 2.10 3.62 -0.02 2.79 1.02 -0.73 -0.76 119.74 127.76 1i9p s LYS 257 Ca 0.14 -0.07 0.06 0.00 0.02 0.00 0.00 55.97 56.13 1i9p s LYS 257 Cb -0.16 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1i9p s LYS 257 CO 0.11 0.33 -0.22 0.00 -0.92 0.00 0.00 175.35 174.66 1i9p s ALA 258 N -1.90 1.81 -2.25 5.17 0.00 0.39 -1.35 121.76 123.63 1i9p s ALA 258 Ca 0.42 -0.93 0.22 0.00 0.00 0.00 0.00 51.96 51.67 1i9p s ALA 258 Cb -0.11 -0.48 0.89 0.00 0.00 0.00 0.00 23.12 23.42 1i9p s ALA 258 CO 0.27 0.43 1.63 -1.13 0.00 0.00 0.00 175.76 176.96 1i9p n SER 259 N 2.62 1.30 -4.21 0.00 3.41 -0.45 -1.88 113.62 114.42 1i9p n SER 259 Ca -0.16 -1.60 -0.14 0.00 -0.26 0.00 0.00 58.87 56.71 1i9p n SER 259 Cb 0.52 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 1i9p n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1i9p s PHE 260 N -1.86 1.15 -2.92 7.33 -0.71 -1.26 -4.93 117.98 114.78 1i9p s PHE 260 Ca 0.33 -0.70 0.23 0.00 -1.04 0.00 0.00 56.93 55.75 1i9p s PHE 260 Cb 0.17 -0.61 0.18 0.00 -1.21 0.00 0.00 43.02 41.56 1i9p s PHE 260 CO 0.27 0.03 1.24 1.17 -1.34 0.00 0.00 175.22 176.59