#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxr s PRO 12 N 0.00 3.65 -0.48 0.00 0.04 -1.26 -4.97 135.00 131.98 1sxr s PRO 12 Ca 0.00 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 1sxr s PRO 12 Cb 0.00 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1sxr s PRO 12 CO 0.00 -0.62 0.89 0.99 0.04 0.00 0.00 177.00 178.30 1sxr s THR 13 N -1.64 4.50 0.10 1.26 2.01 -1.26 -5.02 115.64 115.59 1sxr s THR 13 Ca 0.66 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 1sxr s THR 13 Cb -0.26 -4.43 -0.06 0.00 0.01 0.00 0.00 72.50 67.76 1sxr s THR 13 CO 0.31 -0.86 1.09 -0.63 -0.69 0.00 0.00 174.62 173.84 1sxr s ILE 14 N 3.67 4.19 -0.60 1.82 1.01 -1.26 -4.61 121.20 125.41 1sxr s ILE 14 Ca 0.34 1.71 -0.27 0.00 0.00 0.00 0.00 60.65 62.43 1sxr s ILE 14 Cb -0.11 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.30 1sxr s ILE 14 CO 0.24 0.21 1.13 -0.54 0.00 0.00 0.00 174.94 175.98 1sxr s LYS 15 N 0.37 3.39 0.84 2.79 3.01 0.30 -4.91 119.74 125.53 1sxr s LYS 15 Ca 0.52 -0.02 -0.11 0.00 -1.01 0.00 0.00 55.97 55.35 1sxr s LYS 15 Cb -0.27 -4.06 0.10 0.00 -1.01 0.00 0.00 37.83 32.58 1sxr s LYS 15 CO 0.31 -1.72 1.09 -0.51 0.51 0.00 0.00 175.35 175.04 1sxr s LEU 16 N 4.78 2.67 0.27 3.17 1.43 -1.26 -0.71 118.68 129.03 1sxr s LEU 16 Ca 0.37 1.71 -0.02 0.00 -1.03 0.00 0.00 54.13 55.16 1sxr s LEU 16 Cb -0.09 -4.26 0.57 0.00 0.03 0.00 0.00 46.19 42.44 1sxr s LEU 16 CO 0.21 -2.40 1.65 0.50 0.23 0.00 0.00 176.35 176.55 1sxr h LYS 17 N -1.38 0.20 -0.32 1.70 1.63 -1.91 0.14 116.57 116.62 1sxr h LYS 17 Ca -0.46 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 1sxr h LYS 17 Cb 1.26 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 1sxr h LYS 17 CO 0.52 0.13 -0.10 0.00 -3.45 0.00 0.00 179.45 176.55 1sxr h ARG 18 N 0.20 0.55 0.00 1.90 3.08 -1.91 0.20 114.38 118.40 1sxr h ARG 18 Ca 0.48 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 1sxr h ARG 18 Cb 0.90 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1sxr h ARG 18 CO -0.62 0.64 -0.16 1.96 -1.07 0.00 0.00 179.97 180.72 1sxr h GLN 19 N 0.51 0.00 -0.61 0.04 4.20 -1.06 -2.20 115.11 115.99 1sxr h GLN 19 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1sxr h GLN 19 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1sxr h GLN 19 CO 0.03 0.16 0.00 -2.67 -0.67 0.00 0.00 178.83 175.68 1sxr n TRP 20 N -3.92 0.82 -1.55 2.96 4.27 -0.97 -4.97 117.44 114.08 1sxr n TRP 20 Ca -0.02 -0.49 -0.03 0.00 -3.89 0.00 0.00 57.50 53.07 1sxr n TRP 20 Cb 0.25 -0.01 -0.01 0.00 -1.36 0.00 0.00 31.31 30.19 1sxr n TRP 20 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1sxr n GLY 21 N 1.32 0.44 3.86 -1.67 0.00 -0.83 -4.74 105.19 103.58 1sxr n GLY 21 Ca 0.21 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1sxr n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxr s GLY 22 N -2.92 1.79 0.39 -0.02 0.00 0.65 -4.91 107.32 102.30 1sxr s GLY 22 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 1sxr s GLY 22 CO 0.00 0.23 0.62 0.54 0.00 0.00 0.00 173.10 174.50 1sxr s LYS 23 N -4.77 3.51 0.75 2.90 1.02 -1.26 -4.54 119.74 117.36 1sxr s LYS 23 Ca 0.56 -0.15 -0.14 0.00 0.02 0.00 0.00 55.97 56.26 1sxr s LYS 23 Cb -0.11 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1sxr s LYS 23 CO 0.46 0.04 1.17 -2.14 -0.92 0.00 0.00 175.35 173.96 1sxr s PRO 24 N -4.42 2.07 0.58 -1.68 0.02 -1.26 -4.99 135.00 125.32 1sxr s PRO 24 Ca 0.42 1.62 -0.19 0.00 0.02 0.00 0.00 61.00 62.87 1sxr s PRO 24 Cb -0.10 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1sxr s PRO 24 CO 0.39 -1.85 1.05 0.45 -0.33 0.00 0.00 177.00 176.70 1sxr n SER 25 N -2.98 1.19 -0.19 2.53 2.88 -1.26 -4.91 113.62 110.87 1sxr n SER 25 Ca 0.12 0.86 0.15 0.00 -1.33 0.00 0.00 58.87 58.67 1sxr n SER 25 Cb 0.51 -1.42 0.68 0.00 -0.75 0.00 0.00 64.21 63.23 1sxr n SER 25 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sxr n LEU 26 N -0.74 0.65 0.00 2.46 4.77 0.51 -4.85 117.00 119.80 1sxr n LEU 26 Ca 0.13 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1sxr n LEU 26 Cb 0.46 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1sxr n LEU 26 CO 0.51 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1sxr n GLY 27 N 1.17 1.33 3.72 -0.72 0.00 -1.26 -5.03 105.19 104.39 1sxr n GLY 27 Ca 0.19 0.49 -0.38 0.00 0.00 0.00 0.00 46.02 46.32 1sxr n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxr s LEU 28 N 0.00 4.26 -0.15 0.99 1.43 -1.26 -4.88 118.68 119.06 1sxr s LEU 28 Ca 0.00 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1sxr s LEU 28 Cb 0.00 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1sxr s LEU 28 CO 0.00 0.01 -0.14 -1.00 0.23 0.00 0.00 176.35 175.45 1sxr s HIS 29 N 0.67 2.17 0.18 0.29 3.76 -1.26 -5.06 115.29 116.03 1sxr s HIS 29 Ca 0.23 -1.23 -0.15 0.00 -0.15 0.00 0.00 55.06 53.77 1sxr s HIS 29 Cb -0.15 -1.59 -0.07 0.00 1.11 0.00 0.00 32.58 31.88 1sxr s HIS 29 CO 0.09 -0.67 0.60 0.71 -0.85 0.00 0.00 174.74 174.61 1sxr s TYR 30 N 1.49 3.57 0.34 1.40 2.02 -1.26 -0.52 117.35 124.39 1sxr s TYR 30 Ca 0.05 1.11 0.02 0.00 -0.37 0.00 0.00 57.07 57.88 1sxr s TYR 30 Cb -0.13 -2.42 -0.03 0.00 -0.40 0.00 0.00 41.96 38.99 1sxr s TYR 30 CO -0.11 0.37 0.53 -0.65 -1.57 0.00 0.00 175.55 174.12 1sxr s GLN 31 N -2.15 3.38 -0.22 -0.62 -0.21 -0.11 -4.79 119.66 114.94 1sxr s GLN 31 Ca 0.41 -0.49 -0.24 0.00 0.02 0.00 0.00 55.36 55.06 1sxr s GLN 31 Cb -0.14 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.16 1sxr s GLN 31 CO 0.20 0.13 0.80 0.08 -2.12 0.00 0.00 175.29 174.37 1sxr s VAL 32 N -2.28 4.87 0.14 1.09 1.01 -1.26 -4.92 120.40 119.05 1sxr s VAL 32 Ca 0.41 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.85 1sxr s VAL 32 Cb -0.10 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1sxr s VAL 32 CO 0.35 -0.03 0.37 -0.13 0.00 0.00 0.00 175.10 175.66 1sxr s ARG 33 N 2.58 3.61 0.48 2.72 0.52 -1.26 -4.03 118.95 123.57 1sxr s ARG 33 Ca 0.34 -0.11 -0.19 0.00 -0.52 0.00 0.00 55.73 55.26 1sxr s ARG 33 Cb -0.16 -2.86 -0.09 0.00 0.52 0.00 0.00 34.95 32.37 1sxr s ARG 33 CO 0.09 0.47 0.98 -1.25 0.02 0.00 0.00 175.30 175.61 1sxr s PRO 34 N -2.66 4.03 0.14 3.54 0.04 -1.26 -5.11 135.00 133.72 1sxr s PRO 34 Ca 0.41 1.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1sxr s PRO 34 Cb -0.12 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 1sxr s PRO 34 CO 0.25 -0.20 0.86 0.42 0.04 0.00 0.00 177.00 178.37 1sxr s ILE 35 N -2.41 4.42 -2.08 0.56 -1.09 0.05 -4.64 121.20 116.02 1sxr s ILE 35 Ca 0.61 1.87 0.18 0.00 -2.23 0.00 0.00 60.65 61.08 1sxr s ILE 35 Cb -0.10 -4.23 0.10 0.00 -1.58 0.00 0.00 42.46 36.66 1sxr s ILE 35 CO 0.23 0.43 1.03 0.54 -1.23 0.00 0.00 174.94 175.94 1sxr n ARG 36 N 2.18 1.54 -4.09 2.79 1.74 -1.25 -0.98 116.66 118.59 1sxr n ARG 36 Ca -0.02 -1.38 -0.15 0.00 -0.77 0.00 0.00 57.85 55.53 1sxr n ARG 36 Cb 0.49 -1.34 -0.14 0.00 -1.02 0.00 0.00 32.46 30.45 1sxr n ARG 36 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1sxr s TYR 37 N -1.64 0.36 -0.10 -1.55 2.02 -1.22 -0.59 117.35 114.63 1sxr s TYR 37 Ca 0.19 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1sxr s TYR 37 Cb 0.15 -0.23 0.01 0.00 -0.40 0.00 0.00 41.96 41.48 1sxr s TYR 37 CO 0.28 -0.01 -0.18 0.08 -1.57 0.00 0.00 175.55 174.15 1sxr s VAL 38 N -0.10 1.67 -0.17 0.71 1.01 -0.01 -1.03 120.40 122.48 1sxr s VAL 38 Ca 0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1sxr s VAL 38 Cb -0.02 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1sxr s VAL 38 CO -0.00 0.47 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 1sxr s VAL 39 N 0.70 3.54 -0.15 2.92 1.01 -0.26 -0.98 120.40 127.17 1sxr s VAL 39 Ca -0.12 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1sxr s VAL 39 Cb -0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1sxr s VAL 39 CO 0.03 0.47 0.20 -0.63 0.00 0.00 0.00 175.10 175.17 1sxr s ILE 40 N 0.78 5.37 0.22 2.22 -1.09 0.30 -1.00 121.20 128.00 1sxr s ILE 40 Ca -0.02 0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.79 1sxr s ILE 40 Cb -0.15 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1sxr s ILE 40 CO 0.02 0.48 0.00 -1.00 -1.23 0.00 0.00 174.94 173.21 1sxr s HIS 41 N -0.05 1.48 0.23 3.97 3.76 -0.17 -1.90 115.29 122.61 1sxr s HIS 41 Ca 0.14 -0.96 0.11 0.00 -0.15 0.00 0.00 55.06 54.19 1sxr s HIS 41 Cb -0.12 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.67 1sxr s HIS 41 CO 0.02 -0.10 -0.21 -3.38 -0.85 0.00 0.00 174.74 170.22 1sxr s HIS 42 N -3.50 2.21 -0.45 1.40 -3.43 -1.26 -1.03 115.29 109.23 1sxr s HIS 42 Ca 0.28 -0.37 0.23 0.00 -0.80 0.00 0.00 55.06 54.40 1sxr s HIS 42 Cb 0.06 -1.03 0.23 0.00 -1.43 0.00 0.00 32.58 30.41 1sxr s HIS 42 CO 0.08 0.58 1.28 1.79 -2.00 0.00 0.00 174.74 176.47 1sxr h THR 43 N 2.73 0.00 0.00 -5.38 1.35 -1.15 -3.47 112.91 107.00 1sxr h THR 43 Ca -0.43 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1sxr h THR 43 Cb 1.23 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1sxr h THR 43 CO 0.55 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 176.34 1sxr n VAL 44 N -2.51 0.00 -3.27 6.82 0.31 0.21 -4.84 118.33 115.05 1sxr n VAL 44 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.08 1sxr n VAL 44 Cb 0.50 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.41 1sxr n VAL 44 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1sxr s THR 45 N 0.00 5.04 0.00 2.52 -4.23 -1.26 -3.87 115.64 113.83 1sxr s THR 45 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1sxr s THR 45 Cb 0.00 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1sxr s THR 45 CO 0.00 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1sxr n GLY 46 N -1.39 0.95 3.59 3.99 0.00 -1.26 -4.24 105.19 106.83 1sxr n GLY 46 Ca -0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 1sxr n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sxr n GLU 47 N -1.75 1.34 -3.50 1.61 2.13 -1.26 -4.76 120.64 114.45 1sxr n GLU 47 Ca 0.00 0.47 -0.14 0.00 0.66 0.00 0.00 57.16 58.15 1sxr n GLU 47 Cb 0.00 -1.93 -0.04 0.00 0.27 0.00 0.00 31.44 29.73 1sxr n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sxr s SER 49 N -1.76 3.33 0.00 0.00 0.15 -1.26 -3.23 113.70 110.92 1sxr s SER 49 Ca -0.04 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1sxr s SER 49 Cb -0.00 -1.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1sxr s SER 49 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1sxr n GLY 50 N 4.68 -0.97 0.27 9.45 0.00 -1.26 -4.32 105.19 113.04 1sxr n GLY 50 Ca -0.15 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.39 1sxr n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sxr h LEU 51 N 0.00 0.38 -0.67 0.99 6.46 -1.97 0.34 115.31 120.84 1sxr h LEU 51 Ca 0.00 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.94 1sxr h LEU 51 Cb 0.00 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 39.89 1sxr h LEU 51 CO 0.00 0.19 0.31 -0.07 -0.62 0.00 0.00 178.44 178.25 1sxr h LEU 52 N 0.53 0.38 0.13 2.25 3.38 -1.99 -0.70 115.31 119.29 1sxr h LEU 52 Ca 0.38 0.07 -0.32 0.00 0.09 0.00 0.00 57.88 58.10 1sxr h LEU 52 Cb 0.49 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1sxr h LEU 52 CO -0.33 0.22 -1.64 0.11 0.09 0.00 0.00 178.44 176.88 1sxr h LYS 53 N 0.53 0.27 0.00 1.13 1.79 -1.66 -3.35 116.57 115.28 1sxr h LYS 53 Ca 0.34 -0.46 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1sxr h LYS 53 Cb 0.38 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1sxr h LYS 53 CO -0.28 1.13 -0.26 0.00 -1.08 0.00 0.00 179.45 178.96 1sxr h ALA 55 N 1.74 0.23 -0.70 0.00 0.00 -1.27 0.17 119.26 119.44 1sxr h ALA 55 Ca -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sxr h ALA 55 Cb 0.66 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1sxr h ALA 55 CO 0.03 -0.38 0.23 0.93 0.00 0.00 0.00 179.25 180.06 1sxr h GLU 56 N 0.14 1.06 -0.57 0.00 5.08 -1.79 0.44 114.58 118.94 1sxr h GLU 56 Ca 0.10 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1sxr h GLU 56 Cb 0.09 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1sxr h GLU 56 CO -0.13 0.90 0.27 0.82 -1.00 0.00 0.00 179.01 179.87 1sxr h ILE 57 N 1.03 1.21 -0.32 3.13 2.04 -1.55 -1.59 117.51 121.45 1sxr h ILE 57 Ca 0.23 -0.60 -0.14 0.00 1.00 0.00 0.00 64.86 65.35 1sxr h ILE 57 Cb 0.27 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1sxr h ILE 57 CO -0.01 0.24 -0.37 -0.07 0.00 0.00 0.00 178.15 177.94 1sxr h LEU 58 N 0.77 0.80 -0.69 1.44 3.38 -0.50 0.62 115.31 121.13 1sxr h LEU 58 Ca 0.20 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1sxr h LEU 58 Cb 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1sxr h LEU 58 CO -0.02 1.08 0.45 1.56 0.09 0.00 0.00 178.44 181.60 1sxr h GLN 59 N 0.62 0.89 0.03 1.13 4.20 -0.65 0.89 115.11 122.23 1sxr h GLN 59 Ca 0.06 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1sxr h GLN 59 Cb 0.92 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1sxr h GLN 59 CO 0.08 0.59 -0.97 -0.91 -0.67 0.00 0.00 178.83 176.95 1sxr h ASN 60 N 0.92 0.22 -0.56 1.46 2.35 -1.16 -1.48 115.58 117.33 1sxr h ASN 60 Ca 0.26 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1sxr h ASN 60 Cb -0.09 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1sxr h ASN 60 CO -0.06 1.07 0.23 -0.03 -1.65 0.00 0.00 177.43 176.98 1sxr h MET 61 N 0.07 0.83 -0.98 0.81 4.05 -0.67 -0.76 114.93 118.28 1sxr h MET 61 Ca -0.05 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.24 1sxr h MET 61 Cb 1.65 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 32.27 1sxr h MET 61 CO 0.15 0.72 0.65 0.37 0.23 0.00 0.00 176.91 179.02 1sxr h GLN 62 N 0.76 1.25 -0.49 0.39 4.15 -0.73 -0.47 115.11 119.96 1sxr h GLN 62 Ca 0.19 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1sxr h GLN 62 Cb 0.19 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1sxr h GLN 62 CO -0.02 0.82 0.19 0.00 -1.93 0.00 0.00 178.83 177.89 1sxr h ALA 63 N 1.41 0.64 -0.29 3.38 0.00 -0.86 0.79 119.26 124.32 1sxr h ALA 63 Ca 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1sxr h ALA 63 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1sxr h ALA 63 CO -0.10 0.26 0.15 -0.92 0.00 0.00 0.00 179.25 178.64 1sxr h TYR 64 N 0.66 0.42 -0.49 0.00 3.20 -0.79 0.11 116.97 120.08 1sxr h TYR 64 Ca 0.16 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1sxr h TYR 64 Cb 0.22 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1sxr h TYR 64 CO 0.01 0.37 0.05 0.45 -1.64 0.00 0.00 178.16 177.40 1sxr h HIS 65 N 0.34 0.90 0.03 -3.82 3.86 -0.84 -0.35 115.15 115.28 1sxr h HIS 65 Ca 0.10 -0.14 -0.27 0.00 -1.16 0.00 0.00 60.37 58.90 1sxr h HIS 65 Cb 0.11 -0.24 0.02 0.00 1.06 0.00 0.00 27.41 28.36 1sxr h HIS 65 CO -0.02 0.83 -1.09 1.96 0.86 0.00 0.00 177.93 180.47 1sxr h GLN 66 N 0.70 0.64 0.00 2.45 4.20 -0.79 -0.77 115.11 121.54 1sxr h GLN 66 Ca 0.14 -0.73 0.00 0.00 0.06 0.00 0.00 58.65 58.12 1sxr h GLN 66 Cb 0.45 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1sxr h GLN 66 CO 0.02 1.31 -1.63 0.09 -0.67 0.00 0.00 178.83 177.95 1sxr n ASN 67 N -3.82 0.65 -0.05 1.46 3.02 0.37 -3.54 115.26 113.35 1sxr n ASN 67 Ca -0.11 -0.24 -0.06 0.00 -0.03 0.00 0.00 54.58 54.14 1sxr n ASN 67 Cb 0.91 1.66 -0.06 0.00 -0.61 0.00 0.00 39.78 41.68 1sxr n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sxr n GLU 68 N -1.99 1.09 0.00 3.52 -0.58 -0.23 -4.67 120.64 117.78 1sxr n GLU 68 Ca -0.02 0.04 0.12 0.00 -0.42 0.00 0.00 57.16 56.88 1sxr n GLU 68 Cb 0.45 -1.22 0.17 0.00 -0.57 0.00 0.00 31.44 30.27 1sxr n GLU 68 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sxr n LEU 69 N -2.64 1.24 -1.90 -4.62 4.77 -0.67 -4.96 117.00 108.21 1sxr n LEU 69 Ca -0.17 -0.40 -0.15 0.00 -0.03 0.00 0.00 56.01 55.25 1sxr n LEU 69 Cb 0.73 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1sxr n LEU 69 CO 0.13 0.25 -0.09 0.47 -1.33 0.00 0.00 177.39 176.82 1sxr n ASP 70 N -0.73 -4.55 -4.92 -1.43 8.00 -0.88 -4.98 116.55 107.06 1sxr n ASP 70 Ca 0.09 -0.11 -0.26 0.00 0.71 0.00 0.00 54.79 55.22 1sxr n ASP 70 Cb 0.38 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 1sxr n ASP 70 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1sxr s PHE 71 N -2.85 3.43 -0.09 1.24 0.08 -0.35 -5.01 117.98 114.44 1sxr s PHE 71 Ca 0.11 0.57 0.24 0.00 0.12 0.00 0.00 56.93 57.97 1sxr s PHE 71 Cb -0.05 -2.29 0.68 0.00 -0.57 0.00 0.00 43.02 40.80 1sxr s PHE 71 CO 0.13 -0.30 1.72 -0.91 -0.10 0.00 0.00 175.22 175.77 1sxr h ASN 72 N 0.31 0.00 -5.15 1.36 2.35 -1.90 -3.36 115.58 109.18 1sxr h ASN 72 Ca -0.47 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.35 1sxr h ASN 72 Cb 1.23 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.57 1sxr h ASN 72 CO 0.61 0.17 0.38 -0.62 -1.65 0.00 0.00 177.43 176.31 1sxr s ASP 73 N -6.14 -0.06 0.30 5.81 -1.08 -1.26 -0.36 116.67 113.88 1sxr s ASP 73 Ca 0.03 -0.85 -0.27 0.00 -0.52 0.00 0.00 52.55 50.94 1sxr s ASP 73 Cb 0.08 0.70 -0.14 0.00 -1.46 0.00 0.00 42.92 42.10 1sxr s ASP 73 CO 0.65 -1.36 0.99 -0.38 0.52 0.00 0.00 175.17 175.59 1sxr n ILE 74 N -0.56 2.03 -0.04 4.11 5.41 -1.26 -4.59 119.36 124.46 1sxr n ILE 74 Ca -0.06 -0.50 -0.06 0.00 1.00 0.00 0.00 62.75 63.13 1sxr n ILE 74 Cb 0.60 -0.98 0.14 0.00 -0.71 0.00 0.00 39.64 38.68 1sxr n ILE 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1sxr h SER 75 N 1.89 0.64 -3.84 4.38 4.64 -1.93 -3.34 113.55 116.00 1sxr h SER 75 Ca -0.40 -0.23 -0.49 0.00 -0.47 0.00 0.00 61.79 60.21 1sxr h SER 75 Cb 1.34 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1sxr h SER 75 CO 0.60 0.87 0.18 -0.31 -0.87 0.00 0.00 176.83 177.30 1sxr s TYR 76 N -4.52 3.43 0.16 4.77 2.02 -1.26 -1.06 117.35 120.88 1sxr s TYR 76 Ca -0.08 1.22 -0.07 0.00 -0.37 0.00 0.00 57.07 57.77 1sxr s TYR 76 Cb 0.13 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 1sxr s TYR 76 CO 0.81 -0.11 1.43 -0.91 -1.57 0.00 0.00 175.55 175.20 1sxr h ASN 77 N 1.48 0.75 -5.08 2.29 4.21 -0.89 0.57 115.58 118.91 1sxr h ASN 77 Ca -0.47 -0.43 -0.13 0.00 1.21 0.00 0.00 56.30 56.47 1sxr h ASN 77 Cb 1.18 -0.22 -0.18 0.00 -1.12 0.00 0.00 38.32 37.99 1sxr h ASN 77 CO 0.63 1.19 -0.55 -0.36 -1.29 0.00 0.00 177.43 177.06 1sxr s PHE 78 N -3.92 0.22 0.05 1.19 0.08 -0.88 -1.13 117.98 113.59 1sxr s PHE 78 Ca -0.08 -0.53 0.05 0.00 0.12 0.00 0.00 56.93 56.48 1sxr s PHE 78 Cb 0.10 -0.16 -0.02 0.00 -0.57 0.00 0.00 43.02 42.37 1sxr s PHE 78 CO 0.87 -0.35 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.99 1sxr s LEU 79 N -2.09 2.22 -0.11 -0.37 1.02 -0.50 -1.19 118.68 117.66 1sxr s LEU 79 Ca -0.05 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 53.58 1sxr s LEU 79 Cb -0.02 -0.53 0.02 0.00 0.02 0.00 0.00 46.19 45.68 1sxr s LEU 79 CO -0.04 -0.03 -0.14 -0.63 0.02 0.00 0.00 176.35 175.53 1sxr s ILE 80 N -1.06 1.41 0.63 -0.59 1.01 -0.05 -0.05 121.20 122.50 1sxr s ILE 80 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1sxr s ILE 80 Cb -0.09 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 41.14 1sxr s ILE 80 CO 0.02 0.42 0.89 -0.83 0.00 0.00 0.00 174.94 175.44 1sxr s GLY 81 N 1.10 1.78 0.50 6.18 0.00 -0.28 -1.13 107.32 115.46 1sxr s GLY 81 Ca -0.05 -1.34 0.14 0.00 0.00 0.00 0.00 44.72 43.47 1sxr s GLY 81 CO -0.03 -0.95 2.13 -0.57 0.00 0.00 0.00 173.10 173.67 1sxr h ASN 82 N -0.25 0.10 0.05 1.64 -1.24 -1.84 0.31 115.58 114.35 1sxr h ASN 82 Ca -0.41 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.60 1sxr h ASN 82 Cb 1.29 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1sxr h ASN 82 CO 0.51 0.07 -0.02 0.47 -1.29 0.00 0.00 177.43 177.17 1sxr n ASP 83 N -4.52 0.66 0.00 1.15 8.00 -1.26 -4.33 116.55 116.24 1sxr n ASP 83 Ca -0.01 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1sxr n ASP 83 Cb 0.10 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1sxr n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxr n GLY 84 N 1.11 0.74 3.74 0.44 0.00 0.10 -4.78 105.19 106.53 1sxr n GLY 84 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1sxr n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sxr s ILE 85 N -2.49 3.33 -0.26 -0.61 1.01 -1.26 -4.76 121.20 116.16 1sxr s ILE 85 Ca 0.00 1.11 -0.15 0.00 0.00 0.00 0.00 60.65 61.61 1sxr s ILE 85 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1sxr s ILE 85 CO 0.00 0.17 0.39 -0.69 0.00 0.00 0.00 174.94 174.81 1sxr s VAL 86 N 0.01 5.17 -0.16 2.92 1.01 -1.26 -1.13 120.40 126.95 1sxr s VAL 86 Ca 0.55 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 1sxr s VAL 86 Cb -0.35 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1sxr s VAL 86 CO 0.38 0.16 0.08 -0.31 0.00 0.00 0.00 175.10 175.41 1sxr s TYR 87 N 2.03 3.33 0.00 5.22 2.02 0.93 -0.54 117.35 130.34 1sxr s TYR 87 Ca 0.16 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.78 1sxr s TYR 87 Cb -0.16 -2.01 -0.06 0.00 -0.40 0.00 0.00 41.96 39.33 1sxr s TYR 87 CO 0.10 0.35 1.43 -2.00 -1.57 0.00 0.00 175.55 173.85 1sxr s GLU 88 N -0.13 4.27 0.00 -0.62 2.12 0.11 -1.41 118.70 123.04 1sxr s GLU 88 Ca 0.08 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.41 1sxr s GLU 88 Cb -0.12 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1sxr s GLU 88 CO 0.01 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.54 1sxr n GLY 89 N 3.69 0.24 0.20 -1.50 0.00 -0.28 -4.45 105.19 103.10 1sxr n GLY 89 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1sxr n GLY 89 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sxr h THR 90 N 0.00 1.23 0.00 2.61 2.02 -0.78 -3.47 112.91 114.53 1sxr h THR 90 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1sxr h THR 90 Cb 0.00 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1sxr h THR 90 CO 0.00 0.32 0.00 0.61 0.37 0.00 0.00 175.52 176.82 1sxr n GLY 91 N -0.61 0.33 3.76 2.16 0.00 -0.46 -4.72 105.19 105.65 1sxr n GLY 91 Ca -0.02 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1sxr n GLY 91 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sxr s TRP 92 N -1.94 2.76 -0.02 1.61 0.23 -1.26 -3.44 118.94 116.88 1sxr s TRP 92 Ca 0.00 0.95 0.00 0.00 -2.03 0.00 0.00 56.10 55.02 1sxr s TRP 92 Cb 0.00 -4.00 0.00 0.00 0.03 0.00 0.00 33.47 29.50 1sxr s TRP 92 CO 0.00 -3.21 0.00 0.41 0.96 0.00 0.00 176.95 175.11 1sxr n GLY 93 N 1.62 0.46 3.30 0.98 0.00 -1.26 -5.01 105.19 105.29 1sxr n GLY 93 Ca 0.06 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1sxr n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxr s LEU 94 N -0.05 2.12 -0.08 0.99 1.43 -1.22 -0.93 118.68 120.95 1sxr s LEU 94 Ca 0.00 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 1sxr s LEU 94 Cb 0.00 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1sxr s LEU 94 CO 0.00 0.25 1.21 -0.60 0.23 0.00 0.00 176.35 177.44 1sxr s ARG 95 N -0.99 4.33 0.00 1.70 3.52 0.33 -4.80 118.95 123.04 1sxr s ARG 95 Ca 0.10 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.37 1sxr s ARG 95 Cb -0.09 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1sxr s ARG 95 CO 0.01 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1sxr n GLY 96 N 3.41 1.50 1.49 8.12 0.00 -1.26 -4.75 105.19 113.70 1sxr n GLY 96 Ca 0.11 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.23 1sxr n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxr n ALA 97 N -3.00 2.56 0.04 4.61 0.00 -0.23 -4.83 120.51 119.66 1sxr n ALA 97 Ca 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 53.44 51.29 1sxr n ALA 97 Cb 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 1sxr n ALA 97 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1sxr h HIS 98 N 0.92 0.00 -1.88 0.00 2.07 -1.93 -3.46 115.15 110.87 1sxr h HIS 98 Ca -0.27 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.03 1sxr h HIS 98 Cb 1.81 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 31.49 1sxr h HIS 98 CO 0.14 0.67 -0.55 0.99 -3.07 0.00 0.00 177.93 176.11 1sxr s THR 99 N -2.86 -0.56 0.02 6.12 2.01 -1.26 -5.06 115.64 114.05 1sxr s THR 99 Ca -0.02 -0.28 -0.36 0.00 0.31 0.00 0.00 61.69 61.34 1sxr s THR 99 Cb 0.08 -0.94 -0.15 0.00 0.01 0.00 0.00 72.50 71.50 1sxr s THR 99 CO 0.80 -0.29 1.52 0.00 -0.69 0.00 0.00 174.62 175.97 1sxr n TYR 100 N 5.35 1.87 0.00 4.92 9.36 -1.26 -0.60 117.16 136.80 1sxr n TYR 100 Ca -0.01 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.68 1sxr n TYR 100 Cb 0.49 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 1sxr n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1sxr n GLY 101 N 3.22 2.67 0.18 2.98 0.00 -1.26 -4.81 105.19 108.17 1sxr n GLY 101 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1sxr n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sxr n TYR 102 N -2.00 0.00 -0.03 1.61 4.01 0.24 -4.70 117.16 116.28 1sxr n TYR 102 Ca 0.00 -0.58 -0.16 0.00 -0.16 0.00 0.00 57.90 57.00 1sxr n TYR 102 Cb 0.00 -0.10 -0.13 0.00 -0.31 0.00 0.00 39.34 38.80 1sxr n TYR 102 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1sxr h ASN 103 N 0.00 0.15 0.07 7.72 2.35 -1.76 -1.58 115.58 122.53 1sxr h ASN 103 Ca 0.00 -0.98 -0.15 0.00 -0.55 0.00 0.00 56.30 54.63 1sxr h ASN 103 Cb 1.06 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 1sxr h ASN 103 CO 0.00 1.13 -0.50 0.00 -1.65 0.00 0.00 177.43 176.41 1sxr h ALA 104 N 0.02 0.80 -0.16 -0.83 0.00 -1.88 -3.28 119.26 113.92 1sxr h ALA 104 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sxr h ALA 104 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1sxr h ALA 104 CO 0.04 0.67 0.00 0.44 0.00 0.00 0.00 179.25 180.41 1sxr n ILE 105 N -3.97 0.25 -4.26 0.00 -5.35 -1.26 -4.62 119.36 100.15 1sxr n ILE 105 Ca -0.02 -0.62 -0.16 0.00 -0.27 0.00 0.00 62.75 61.67 1sxr n ILE 105 Cb 0.57 1.16 -0.10 0.00 -1.74 0.00 0.00 39.64 39.53 1sxr n ILE 105 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1sxr s GLY 106 N -1.40 1.13 -0.27 3.28 0.00 -0.59 -3.46 107.32 106.01 1sxr s GLY 106 Ca 0.26 -1.46 -0.07 0.00 0.00 0.00 0.00 44.72 43.44 1sxr s GLY 106 CO 0.24 -1.55 0.08 -1.59 0.00 0.00 0.00 173.10 170.28 1sxr s THR 107 N -2.90 4.23 -0.19 0.90 2.01 -0.20 -4.71 115.64 114.78 1sxr s THR 107 Ca 0.15 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 1sxr s THR 107 Cb -0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1sxr s THR 107 CO 0.02 0.24 0.33 -0.83 -0.69 0.00 0.00 174.62 173.69 1sxr s GLY 108 N 1.58 2.13 -0.17 4.40 0.00 -1.26 -1.10 107.32 112.90 1sxr s GLY 108 Ca 0.05 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1sxr s GLY 108 CO 0.03 0.62 -0.16 -0.42 0.00 0.00 0.00 173.10 173.18 1sxr s ILE 109 N 0.94 1.77 -0.15 0.90 1.01 -0.17 -0.22 121.20 125.28 1sxr s ILE 109 Ca 0.17 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1sxr s ILE 109 Cb -0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1sxr s ILE 109 CO 0.06 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1sxr s ALA 110 N 1.40 3.19 -0.05 9.38 0.00 -0.33 -1.00 121.76 134.34 1sxr s ALA 110 Ca 0.04 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.93 1sxr s ALA 110 Cb -0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1sxr s ALA 110 CO -0.11 0.27 0.89 -0.06 0.00 0.00 0.00 175.76 176.75 1sxr s PHE 111 N 0.13 3.59 -0.14 0.00 0.08 -0.20 -0.88 117.98 120.57 1sxr s PHE 111 Ca 0.01 1.51 -0.29 0.00 0.12 0.00 0.00 56.93 58.28 1sxr s PHE 111 Cb -0.13 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 1sxr s PHE 111 CO 0.02 -0.04 1.40 0.42 -0.10 0.00 0.00 175.22 176.92 1sxr s ILE 112 N 1.21 4.04 -2.92 0.64 1.01 -0.29 -1.67 121.20 123.21 1sxr s ILE 112 Ca 0.46 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1sxr s ILE 112 Cb -0.19 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1sxr s ILE 112 CO 0.22 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1sxr n GLY 113 N 3.84 0.75 2.99 6.18 0.00 -1.26 -4.70 105.19 113.00 1sxr n GLY 113 Ca 0.15 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1sxr n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sxr s ASN 114 N -2.89 3.87 -0.26 1.61 3.84 -1.25 -0.62 114.94 119.24 1sxr s ASN 114 Ca 0.00 -1.15 0.09 0.00 0.21 0.00 0.00 52.86 52.02 1sxr s ASN 114 Cb 0.00 -1.30 0.46 0.00 -0.55 0.00 0.00 41.25 39.86 1sxr s ASN 114 CO 0.00 -0.19 1.32 0.49 -2.79 0.00 0.00 177.10 175.92 1sxr n PHE 115 N 4.61 0.93 -0.24 0.43 3.72 -1.26 -4.58 117.46 121.07 1sxr n PHE 115 Ca -0.13 -1.71 -0.06 0.00 -0.05 0.00 0.00 57.45 55.49 1sxr n PHE 115 Cb 0.44 -0.38 0.05 0.00 -0.94 0.00 0.00 39.48 38.65 1sxr n PHE 115 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1sxr h VAL 116 N 1.21 1.21 -0.00 -4.37 3.04 -1.83 -3.02 116.25 112.48 1sxr h VAL 116 Ca 0.16 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1sxr h VAL 116 Cb 1.30 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1sxr h VAL 116 CO 0.31 0.23 -0.01 0.47 -1.01 0.00 0.00 177.57 177.56 1sxr n ASP 117 N -4.52 1.18 -3.93 3.17 8.00 -1.26 -2.15 116.55 117.03 1sxr n ASP 117 Ca 0.05 -1.09 -0.09 0.00 0.71 0.00 0.00 54.79 54.37 1sxr n ASP 117 Cb 0.08 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 1sxr n ASP 117 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1sxr s LYS 118 N -0.30 1.30 0.24 -1.24 -2.85 -1.26 -4.98 119.74 110.66 1sxr s LYS 118 Ca 0.03 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1sxr s LYS 118 Cb 0.02 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1sxr s LYS 118 CO 0.04 -0.51 0.42 -0.51 0.10 0.00 0.00 175.35 174.89 1sxr s LEU 119 N -2.97 4.19 0.99 2.77 1.43 -1.26 -4.39 118.68 119.45 1sxr s LEU 119 Ca 0.17 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 1sxr s LEU 119 Cb 0.02 -3.16 0.16 0.00 0.03 0.00 0.00 46.19 43.24 1sxr s LEU 119 CO 0.02 -0.10 0.96 -2.65 0.23 0.00 0.00 176.35 174.81 1sxr n PRO 120 N -0.99 -0.96 -0.88 1.29 -0.02 -1.26 -4.97 135.00 127.22 1sxr n PRO 120 Ca -0.05 -0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 60.87 1sxr n PRO 120 Cb 0.55 -2.22 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1sxr n PRO 120 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sxr n SER 121 N -3.87 -0.18 -0.34 2.55 3.41 -1.26 -4.74 113.62 109.19 1sxr n SER 121 Ca 0.09 0.46 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 1sxr n SER 121 Cb 0.53 -1.40 0.27 0.00 -0.26 0.00 0.00 64.21 63.35 1sxr n SER 121 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sxr h ASP 122 N -1.40 0.88 -0.71 4.04 3.32 -1.93 -1.02 116.42 119.60 1sxr h ASP 122 Ca -0.44 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 1sxr h ASP 122 Cb 1.29 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1sxr h ASP 122 CO 0.41 0.47 0.20 0.00 -1.72 0.00 0.00 179.24 178.60 1sxr h ALA 123 N 1.55 0.93 -0.31 3.45 0.00 -1.90 -0.52 119.26 122.45 1sxr h ALA 123 Ca 0.48 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1sxr h ALA 123 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sxr h ALA 123 CO -0.24 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 1sxr h ALA 124 N 1.10 0.43 -0.68 0.00 0.00 -1.57 -0.57 119.26 117.97 1sxr h ALA 124 Ca 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sxr h ALA 124 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1sxr h ALA 124 CO -0.00 0.24 0.33 -0.07 0.00 0.00 0.00 179.25 179.74 1sxr h LEU 125 N 0.37 0.89 -0.68 0.00 3.38 -1.04 -1.76 115.31 116.47 1sxr h LEU 125 Ca 0.08 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1sxr h LEU 125 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1sxr h LEU 125 CO 0.03 0.78 -0.45 -0.61 0.09 0.00 0.00 178.44 178.27 1sxr h GLN 126 N 0.95 0.49 -0.82 1.13 5.75 -1.01 -2.08 115.11 119.52 1sxr h GLN 126 Ca 0.23 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1sxr h GLN 126 Cb 0.12 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 1sxr h GLN 126 CO -0.03 0.84 0.51 0.00 -2.65 0.00 0.00 178.83 177.50 1sxr h ALA 127 N 1.12 1.05 -0.08 3.38 0.00 -0.81 0.08 119.26 124.00 1sxr h ALA 127 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sxr h ALA 127 Cb 0.94 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1sxr h ALA 127 CO 0.08 0.50 0.03 0.00 0.00 0.00 0.00 179.25 179.87 1sxr h ALA 128 N 1.28 0.11 -0.67 0.00 0.00 -1.08 0.11 119.26 118.99 1sxr h ALA 128 Ca 0.30 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1sxr h ALA 128 Cb -0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1sxr h ALA 128 CO -0.06 -0.31 0.37 0.87 0.00 0.00 0.00 179.25 180.13 1sxr h LYS 129 N -0.02 0.66 -0.53 0.00 1.57 -1.05 -0.51 116.57 116.70 1sxr h LYS 129 Ca 0.03 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1sxr h LYS 129 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1sxr h LYS 129 CO -0.00 0.44 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.86 1sxr h ASP 130 N 0.68 0.93 -0.65 0.86 3.32 -0.84 -1.89 116.42 118.83 1sxr h ASP 130 Ca 0.31 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1sxr h ASP 130 Cb 0.20 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1sxr h ASP 130 CO -0.19 1.02 0.38 0.25 -1.72 0.00 0.00 179.24 178.98 1sxr h LEU 131 N 0.81 0.60 -0.49 1.55 5.85 -0.29 0.23 115.31 123.59 1sxr h LEU 131 Ca 0.15 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1sxr h LEU 131 Cb 0.55 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1sxr h LEU 131 CO 0.03 0.41 0.08 -0.07 -0.34 0.00 0.00 178.44 178.55 1sxr h LEU 132 N 0.74 0.77 -0.60 2.25 3.38 -0.95 -0.27 115.31 120.64 1sxr h LEU 132 Ca 0.27 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1sxr h LEU 132 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1sxr h LEU 132 CO -0.14 0.84 -0.18 0.00 0.09 0.00 0.00 178.44 179.05 1sxr h ALA 133 N 0.96 0.80 -0.49 1.53 0.00 -0.97 -1.50 119.26 119.59 1sxr h ALA 133 Ca 0.15 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1sxr h ALA 133 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1sxr h ALA 133 CO 0.01 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 1sxr h GLY 135 N 0.98 1.13 0.89 0.00 0.00 -0.40 -0.18 103.07 105.49 1sxr h GLY 135 Ca 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1sxr h GLY 135 CO 0.03 0.31 0.05 -2.08 0.00 0.00 0.00 176.54 174.85 1sxr h VAL 136 N 0.95 1.23 -0.74 4.60 2.07 -1.10 -0.23 116.25 123.04 1sxr h VAL 136 Ca 0.31 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1sxr h VAL 136 Cb 0.03 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1sxr h VAL 136 CO -0.12 0.26 0.49 1.56 0.02 0.00 0.00 177.57 179.78 1sxr h GLN 137 N 0.32 0.91 -0.01 1.57 4.20 -0.81 -2.51 115.11 118.79 1sxr h GLN 137 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1sxr h GLN 137 Cb 0.34 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1sxr h GLN 137 CO 0.01 0.60 -0.10 1.04 -0.67 0.00 0.00 178.83 179.71 1sxr n GLN 138 N -4.44 0.95 -0.93 1.46 6.02 -0.13 -4.91 117.38 115.39 1sxr n GLN 138 Ca 0.09 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 1sxr n GLN 138 Cb 0.09 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1sxr n GLN 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxr n GLY 139 N 1.24 0.52 0.16 1.08 0.00 -0.94 -4.92 105.19 102.31 1sxr n GLY 139 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1sxr n GLY 139 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sxr h GLU 140 N 1.03 0.37 -6.50 1.61 4.39 -1.29 -3.37 114.58 110.81 1sxr h GLU 140 Ca 0.00 -0.37 -0.65 0.00 0.34 0.00 0.00 59.36 58.68 1sxr h GLU 140 Cb 0.00 0.10 -0.25 0.00 -0.10 0.00 0.00 28.75 28.50 1sxr h GLU 140 CO 0.00 1.04 -0.86 -0.51 -1.16 0.00 0.00 179.01 177.52 1sxr s LEU 141 N -7.72 2.20 0.55 1.33 1.43 -0.90 -0.77 118.68 114.79 1sxr s LEU 141 Ca -0.05 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 1sxr s LEU 141 Cb 0.09 -1.14 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 1sxr s LEU 141 CO 0.85 0.20 1.13 -0.94 0.23 0.00 0.00 176.35 177.82 1sxr s SER 142 N -1.37 5.70 0.49 2.29 1.04 -0.15 -4.21 113.70 117.49 1sxr s SER 142 Ca 0.10 2.17 0.20 0.00 0.48 0.00 0.00 55.95 58.90 1sxr s SER 142 Cb -0.10 -2.58 1.25 0.00 0.10 0.00 0.00 66.02 64.69 1sxr s SER 142 CO 0.03 -1.23 2.01 -0.33 0.98 0.00 0.00 173.24 174.69 1sxr h GLU 143 N 1.16 0.15 -0.76 4.02 5.08 -1.92 -1.96 114.58 120.34 1sxr h GLU 143 Ca -0.50 -0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.36 1sxr h GLU 143 Cb 1.26 -0.03 -0.28 0.00 0.50 0.00 0.00 28.75 30.20 1sxr h GLU 143 CO 0.57 0.10 0.16 -0.40 -1.00 0.00 0.00 179.01 178.43 1sxr n ASP 144 N -4.43 5.01 -4.68 1.42 5.75 -1.26 -5.04 116.55 113.32 1sxr n ASP 144 Ca 0.08 -3.76 -0.38 0.00 -0.01 0.00 0.00 54.79 50.73 1sxr n ASP 144 Cb 0.46 -0.71 0.06 0.00 -1.03 0.00 0.00 41.12 39.90 1sxr n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sxr n TYR 145 N -0.96 1.51 -3.57 2.11 0.18 -0.74 -4.99 117.16 110.71 1sxr n TYR 145 Ca 0.50 0.43 -0.37 0.00 1.88 0.00 0.00 57.90 60.34 1sxr n TYR 145 Cb 0.99 -2.23 -0.07 0.00 -0.38 0.00 0.00 39.34 37.65 1sxr n TYR 145 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sxr s ALA 146 N -1.42 3.65 -0.21 -3.48 0.00 0.24 -4.82 121.76 115.73 1sxr s ALA 146 Ca 0.77 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1sxr s ALA 146 Cb -0.41 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1sxr s ALA 146 CO 0.45 0.23 0.05 -1.17 0.00 0.00 0.00 175.76 175.32 1sxr s LEU 147 N -0.02 3.57 0.10 0.00 2.96 -0.39 -0.83 118.68 124.07 1sxr s LEU 147 Ca 0.18 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1sxr s LEU 147 Cb -0.14 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1sxr s LEU 147 CO 0.06 0.09 -0.07 0.27 -1.32 0.00 0.00 176.35 175.38 1sxr s ILE 148 N 0.88 0.75 0.20 6.68 -4.36 -0.15 -1.39 121.20 123.81 1sxr s ILE 148 Ca 0.03 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.31 1sxr s ILE 148 Cb -0.14 -1.67 -0.08 0.00 1.25 0.00 0.00 42.46 41.82 1sxr s ILE 148 CO 0.02 -0.84 0.68 0.00 0.24 0.00 0.00 174.94 175.04 1sxr s ALA 149 N -3.51 3.45 0.29 2.27 0.00 -1.26 -0.54 121.76 122.46 1sxr s ALA 149 Ca 0.12 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1sxr s ALA 149 Cb 0.04 -2.74 0.68 0.00 0.00 0.00 0.00 23.12 21.10 1sxr s ALA 149 CO -0.04 0.36 1.78 0.78 0.00 0.00 0.00 175.76 178.64 1sxr h GLY 150 N 3.44 1.71 1.92 0.00 0.00 -1.43 -0.70 103.07 108.00 1sxr h GLY 150 Ca -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1sxr h GLY 150 CO 0.65 -0.04 0.04 1.48 0.00 0.00 0.00 176.54 178.68 1sxr h SER 151 N 0.76 0.00 1.27 0.19 4.64 -1.25 -1.60 113.55 117.56 1sxr h SER 151 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1sxr h SER 151 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1sxr h SER 151 CO -0.37 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.15 1sxr h GLN 152 N 0.00 0.00 0.00 4.77 4.20 -1.42 -3.38 115.11 119.28 1sxr h GLN 152 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sxr h GLN 152 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1sxr h GLN 152 CO -0.00 0.00 -0.45 1.33 -0.67 0.00 0.00 178.83 179.04 1sxr n VAL 153 N -3.06 0.00 -4.36 -0.54 0.24 -0.68 -4.87 118.33 105.05 1sxr n VAL 153 Ca 0.02 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.13 1sxr n VAL 153 Cb 0.36 0.20 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 1sxr n VAL 153 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1sxr s ILE 154 N -0.92 0.93 -0.83 1.34 -4.36 -0.73 -4.87 121.20 111.75 1sxr s ILE 154 Ca 0.00 -2.01 -0.26 0.00 -0.26 0.00 0.00 60.65 58.12 1sxr s ILE 154 Cb 0.00 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 41.16 1sxr s ILE 154 CO 0.00 -0.12 1.40 -0.55 0.24 0.00 0.00 174.94 175.91 1sxr s SER 155 N -3.37 6.18 0.09 4.36 0.15 -1.26 -4.43 113.70 115.42 1sxr s SER 155 Ca 0.34 -0.74 -0.25 0.00 0.70 0.00 0.00 55.95 55.99 1sxr s SER 155 Cb 0.07 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.89 1sxr s SER 155 CO 0.12 -1.80 0.62 0.28 1.20 0.00 0.00 173.24 173.67 1sxr s THR 156 N 5.87 0.00 -0.86 6.45 -1.32 -1.26 -5.02 115.64 119.50 1sxr s THR 156 Ca 0.42 -0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.14 1sxr s THR 156 Cb -0.06 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1sxr s THR 156 CO 0.06 -0.00 1.26 0.00 -2.21 0.00 0.00 174.62 173.73 1sxr n GLN 157 N 0.03 0.11 -1.76 7.08 6.02 -1.26 -4.35 117.38 123.24 1sxr n GLN 157 Ca -0.18 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 1sxr n GLN 157 Cb 0.62 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 30.33 1sxr n GLN 157 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1sxr n SER 158 N -1.69 3.80 -1.84 1.08 2.88 -1.26 -0.56 113.62 116.03 1sxr n SER 158 Ca 0.04 1.20 -0.09 0.00 -1.33 0.00 0.00 58.87 58.69 1sxr n SER 158 Cb 0.37 -1.61 0.22 0.00 -0.75 0.00 0.00 64.21 62.45 1sxr n SER 158 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sxr n PRO 159 N 1.11 2.91 0.00 -1.46 -0.04 -1.26 -0.98 135.00 135.29 1sxr n PRO 159 Ca 0.04 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1sxr n PRO 159 Cb 0.38 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1sxr n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sxr n GLY 160 N -0.27 0.60 0.27 0.55 0.00 0.27 -4.32 105.19 102.29 1sxr n GLY 160 Ca 0.37 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 45.05 1sxr n GLY 160 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sxr h LEU 161 N 0.00 0.41 -0.51 0.99 5.85 -1.68 0.07 115.31 120.43 1sxr h LEU 161 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1sxr h LEU 161 Cb 0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1sxr h LEU 161 CO 0.00 0.21 0.31 0.74 -0.34 0.00 0.00 178.44 179.36 1sxr h THR 162 N 0.56 1.16 -0.25 1.05 2.02 -1.33 -0.59 112.91 115.52 1sxr h THR 162 Ca 0.37 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 67.05 1sxr h THR 162 Cb 0.46 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1sxr h THR 162 CO -0.31 0.16 -0.45 0.25 0.37 0.00 0.00 175.52 175.54 1sxr h LEU 163 N 0.69 0.69 -0.67 2.58 5.85 -1.30 -2.68 115.31 120.48 1sxr h LEU 163 Ca 0.18 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1sxr h LEU 163 Cb -0.01 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1sxr h LEU 163 CO -0.03 1.04 0.35 0.22 -0.34 0.00 0.00 178.44 179.68 1sxr h TYR 164 N 0.52 0.64 -0.62 1.25 3.20 -0.60 -0.83 116.97 120.53 1sxr h TYR 164 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1sxr h TYR 164 Cb 0.98 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 1sxr h TYR 164 CO 0.05 0.28 0.30 -0.91 -1.64 0.00 0.00 178.16 176.24 1sxr h ASN 165 N 0.64 0.79 0.09 -2.11 2.35 -0.93 -1.96 115.58 114.44 1sxr h ASN 165 Ca 0.31 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1sxr h ASN 165 Cb 0.24 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1sxr h ASN 165 CO -0.21 0.67 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.11 1sxr h GLU 166 N 0.87 -0.11 0.00 0.81 4.57 -1.05 -3.21 114.58 116.46 1sxr h GLU 166 Ca 0.22 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1sxr h GLU 166 Cb 0.09 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1sxr h GLU 166 CO -0.03 0.17 -0.15 -0.84 -1.18 0.00 0.00 179.01 176.98 1sxr h ILE 167 N -0.39 0.47 -0.15 2.32 3.07 -0.83 -1.28 117.51 120.72 1sxr h ILE 167 Ca -0.01 -0.75 0.04 0.00 1.55 0.00 0.00 64.86 65.70 1sxr h ILE 167 Cb 0.33 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.39 1sxr h ILE 167 CO 0.02 0.14 0.24 1.56 -1.05 0.00 0.00 178.15 179.06 1sxr h GLN 168 N 0.00 0.00 0.00 0.16 4.20 -1.37 -0.74 115.11 117.37 1sxr h GLN 168 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sxr h GLN 168 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1sxr h GLN 168 CO 0.02 0.00 -0.20 0.39 -0.67 0.00 0.00 178.83 178.37 1sxr n GLU 169 N -3.52 0.05 -2.83 1.46 -0.58 -0.48 -4.84 120.64 109.90 1sxr n GLU 169 Ca 0.01 0.03 -0.40 0.00 -0.42 0.00 0.00 57.16 56.38 1sxr n GLU 169 Cb 0.35 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.62 1sxr n GLU 169 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1sxr s TRP 170 N -3.02 3.91 0.55 -0.32 0.52 -0.28 -4.95 118.94 115.34 1sxr s TRP 170 Ca 0.12 1.78 0.28 0.00 0.02 0.00 0.00 56.10 58.30 1sxr s TRP 170 Cb 0.17 -2.92 1.70 0.00 -1.15 0.00 0.00 33.47 31.28 1sxr s TRP 170 CO 0.60 0.41 2.21 -1.35 0.02 0.00 0.00 176.95 178.84 1sxr h PRO 171 N 4.62 0.00 -0.00 4.98 0.11 -1.89 -1.17 132.00 138.65 1sxr h PRO 171 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sxr h PRO 171 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sxr h PRO 171 CO 0.68 0.03 -0.04 0.72 -0.21 0.00 0.00 178.00 179.18 1sxr n HIS 172 N -3.86 0.00 -1.78 0.65 8.25 -1.26 -4.91 115.22 112.30 1sxr n HIS 172 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1sxr n HIS 172 Cb 0.11 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1sxr n HIS 172 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1sxr s TRP 173 N -2.22 2.90 -0.22 4.41 -0.00 -0.45 -1.26 118.94 122.10 1sxr s TRP 173 Ca 0.38 0.52 -0.05 0.00 -0.00 0.00 0.00 56.10 56.94 1sxr s TRP 173 Cb 0.21 -4.08 -0.02 0.00 -0.00 0.00 0.00 33.47 29.58 1sxr s TRP 173 CO 0.41 -3.95 0.01 -1.17 -0.00 0.00 0.00 176.95 172.25 1sxr s LEU 174 N 0.72 3.22 0.26 5.86 2.96 -0.49 -4.84 118.68 126.37 1sxr s LEU 174 Ca 0.71 -0.26 0.14 0.00 -0.22 0.00 0.00 54.13 54.50 1sxr s LEU 174 Cb -0.48 -1.84 0.08 0.00 0.50 0.00 0.00 46.19 44.46 1sxr s LEU 174 CO 0.36 0.01 1.45 0.77 -1.32 0.00 0.00 176.35 177.61 1sxr h SER 175 N 7.92 0.00 -2.12 3.68 4.64 -1.94 -3.39 113.55 122.34 1sxr h SER 175 Ca -0.38 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 1sxr h SER 175 Cb 1.17 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.85 1sxr h SER 175 CO 0.60 0.58 -0.94 -0.46 -0.87 0.00 0.00 176.83 175.74 1sxr n ASN 176 N -3.29 2.57 -4.76 4.97 6.94 -1.26 -5.10 115.26 115.33 1sxr n ASN 176 Ca 0.01 -3.33 -0.34 0.00 -0.02 0.00 0.00 54.58 50.90 1sxr n ASN 176 Cb 0.75 -0.59 0.04 0.00 -2.36 0.00 0.00 39.78 37.61 1sxr n ASN 176 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1sxr s PRO 177 N -2.93 2.93 0.52 -0.53 0.04 -1.26 -5.00 135.00 128.78 1sxr s PRO 177 Ca 0.44 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1sxr s PRO 177 Cb 0.32 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.84 1sxr s PRO 177 CO -0.11 -1.18 1.04 -1.01 0.04 0.00 0.00 177.00 175.78 1sxr s HIS 178 N -1.97 3.02 -0.01 0.56 3.76 -1.26 -4.96 115.29 114.43 1sxr s HIS 178 Ca 0.72 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 57.18 1sxr s HIS 178 Cb -0.24 -3.03 0.01 0.00 1.11 0.00 0.00 32.58 30.43 1sxr s HIS 178 CO 0.36 -0.90 -0.01 -3.38 -0.85 0.00 0.00 174.74 169.95 1sxr s HIS 179 N -2.18 0.23 0.30 1.40 -3.43 -1.26 -4.93 115.29 105.41 1sxr s HIS 179 Ca 0.65 -0.01 -0.02 0.00 -0.80 0.00 0.00 55.06 54.89 1sxr s HIS 179 Cb -0.16 -0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.71 1sxr s HIS 179 CO 0.26 -0.06 0.52 -1.01 -2.00 0.00 0.00 174.74 172.46 1sxr s HIS 180 N 0.44 3.49 0.15 0.38 3.76 -1.26 -5.07 115.29 117.18 1sxr s HIS 180 Ca -0.04 0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 55.03 1sxr s HIS 180 Cb -0.07 -1.97 -0.07 0.00 1.11 0.00 0.00 32.58 31.58 1sxr s HIS 180 CO -0.01 0.19 1.20 -1.01 -0.85 0.00 0.00 174.74 174.26 1sxr s HIS 181 N -2.15 3.43 0.11 1.40 3.76 -1.26 -4.92 115.29 115.66 1sxr s HIS 181 Ca 0.41 1.38 0.33 0.00 -0.15 0.00 0.00 55.06 57.03 1sxr s HIS 181 Cb -0.10 -3.43 1.34 0.00 1.11 0.00 0.00 32.58 31.50 1sxr s HIS 181 CO 0.32 -1.24 1.98 1.25 -0.85 0.00 0.00 174.74 176.20 1sxr h HIS 182 N 5.70 0.00 0.00 1.40 2.76 -2.01 -3.53 115.15 119.46 1sxr h HIS 182 Ca -0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1sxr h HIS 182 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1sxr h HIS 182 CO 0.64 0.02 0.00 0.72 -1.30 0.00 0.00 177.93 178.00