#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isx n HIS -2 N 0.00 0.00 -4.25 4.41 1.44 -1.26 -5.03 115.22 110.53 3isx n HIS -2 Ca 0.00 -0.02 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 3isx n HIS -2 Cb 0.00 -0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3isx n HIS -2 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3isx n HIS -1 N -0.02 0.16 -3.83 -1.40 -0.00 -1.26 -5.20 115.22 103.67 3isx n HIS -1 Ca 0.00 -2.48 -0.26 0.00 -0.00 0.00 0.00 57.72 54.99 3isx n HIS -1 Cb 0.08 -0.42 -0.17 0.00 -0.00 0.00 0.00 29.99 29.48 3isx n HIS -1 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 3isx s HIS 0 N -2.85 1.13 0.00 4.41 0.00 -1.26 -5.17 115.29 111.55 3isx s HIS 0 Ca 0.19 -0.57 0.00 0.00 -3.00 0.00 0.00 55.06 51.68 3isx s HIS 0 Cb -0.02 -1.04 0.00 0.00 -4.00 0.00 0.00 32.58 27.52 3isx s HIS 0 CO 0.12 -0.47 0.00 1.17 -1.00 0.00 0.00 174.74 174.57 3isx n LYS 2 N 5.03 0.00 -0.02 -0.38 4.81 -1.26 -4.69 118.16 121.65 3isx n LYS 2 Ca -0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.31 3isx n LYS 2 Cb 0.49 -0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.75 3isx n LYS 2 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3isx h GLU 3 N 0.00 0.56 -0.57 1.64 4.39 -2.02 0.95 114.58 119.53 3isx h GLU 3 Ca 0.00 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 3isx h GLU 3 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3isx h GLU 3 CO 0.00 0.69 0.20 1.25 -1.16 0.00 0.00 179.01 179.99 3isx h LEU 4 N 0.51 0.81 -0.29 1.33 5.85 -1.99 -0.75 115.31 120.78 3isx h LEU 4 Ca 0.09 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3isx h LEU 4 Cb 0.55 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3isx h LEU 4 CO 0.03 0.78 -0.15 0.40 -0.34 0.00 0.00 178.44 179.17 3isx h ILE 5 N 0.79 1.29 -0.10 4.05 2.04 -1.86 -1.22 117.51 122.51 3isx h ILE 5 Ca 0.19 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.82 3isx h ILE 5 Cb 0.24 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3isx h ILE 5 CO -0.01 0.40 -0.05 -0.09 0.00 0.00 0.00 178.15 178.40 3isx h ARG 6 N 0.37 -0.04 -0.46 2.37 2.43 -0.69 -0.93 114.38 117.43 3isx h ARG 6 Ca 0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3isx h ARG 6 Cb 0.67 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3isx h ARG 6 CO 0.04 -0.03 0.24 -0.22 -1.51 0.00 0.00 179.97 178.50 3isx h LYS 7 N -0.04 0.64 -0.24 0.20 3.64 -0.96 -1.53 116.57 118.29 3isx h LYS 7 Ca 0.06 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 3isx h LYS 7 Cb 0.12 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3isx h LYS 7 CO -0.13 0.52 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.19 3isx h LEU 8 N 0.60 0.69 -0.77 5.20 3.38 -1.14 -2.49 115.31 120.78 3isx h LEU 8 Ca 0.16 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 3isx h LEU 8 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3isx h LEU 8 CO -0.02 1.06 -0.28 0.71 0.09 0.00 0.00 178.44 179.99 3isx h THR 9 N 0.34 1.28 0.00 0.22 1.35 -1.16 -3.01 112.91 111.92 3isx h THR 9 Ca 0.03 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3isx h THR 9 Cb 0.90 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3isx h THR 9 CO 0.07 0.45 0.00 -0.33 -0.25 0.00 0.00 175.52 175.46 3isx h GLU 10 N 0.54 0.00 -7.10 4.72 5.08 -1.27 -3.43 114.58 113.12 3isx h GLU 10 Ca 0.07 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.88 3isx h GLU 10 Cb 0.76 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.15 3isx h GLU 10 CO 0.06 0.00 0.50 0.00 -1.00 0.00 0.00 179.01 178.57 3isx s ALA 11 N -3.34 2.45 -0.30 3.43 0.00 -0.94 -4.96 121.76 118.10 3isx s ALA 11 Ca 0.06 1.13 -0.28 0.00 0.00 0.00 0.00 51.96 52.86 3isx s ALA 11 Cb 0.08 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3isx s ALA 11 CO 0.58 -1.41 1.02 0.12 0.00 0.00 0.00 175.76 176.06 3isx s PHE 12 N -1.48 3.20 -0.43 0.00 5.36 -1.26 -4.92 117.98 118.45 3isx s PHE 12 Ca 0.80 1.20 0.07 0.00 -0.96 0.00 0.00 56.93 58.04 3isx s PHE 12 Cb -0.34 -3.51 0.34 0.00 -0.34 0.00 0.00 43.02 39.17 3isx s PHE 12 CO 0.37 -0.66 1.21 0.41 -1.46 0.00 0.00 175.22 175.09 3isx n GLY 13 N 3.80 0.81 3.72 13.12 0.00 -1.26 -4.14 105.19 121.24 3isx n GLY 13 Ca 0.11 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3isx n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3isx s PRO 14 N 0.24 2.03 -0.08 1.61 0.04 -1.26 -1.15 135.00 136.43 3isx s PRO 14 Ca 0.22 1.60 -0.36 0.00 0.04 0.00 0.00 61.00 62.50 3isx s PRO 14 Cb 0.33 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.89 3isx s PRO 14 CO -0.07 -1.88 1.74 0.43 0.04 0.00 0.00 177.00 177.26 3isx n SER 15 N -3.06 2.94 0.00 6.66 7.64 -1.08 -0.67 113.62 126.05 3isx n SER 15 Ca 0.12 1.03 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3isx n SER 15 Cb 0.51 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 3isx n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3isx n GLY 16 N 4.00 1.38 2.45 0.23 0.00 -1.26 -4.97 105.19 107.02 3isx n GLY 16 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 3isx n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3isx n ARG 17 N -1.26 0.86 -0.60 1.61 3.00 0.15 -4.99 116.66 115.44 3isx n ARG 17 Ca 0.00 -2.60 0.09 0.00 -0.00 0.00 0.00 57.85 55.34 3isx n ARG 17 Cb 0.00 -1.36 0.34 0.00 0.00 0.00 0.00 32.46 31.44 3isx n ARG 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3isx n GLU 18 N 0.94 3.75 -0.24 -0.14 4.71 -1.25 -4.00 120.64 124.42 3isx n GLU 18 Ca 0.16 -2.87 0.04 0.00 -0.01 0.00 0.00 57.16 54.49 3isx n GLU 18 Cb 0.63 -1.89 0.16 0.00 -1.01 0.00 0.00 31.44 29.33 3isx n GLU 18 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3isx h GLU 19 N 3.70 0.23 -0.69 3.49 3.07 -1.94 -1.32 114.58 121.12 3isx h GLU 19 Ca 0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3isx h GLU 19 Cb 1.47 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.30 3isx h GLU 19 CO 0.25 0.15 0.23 1.49 -1.40 0.00 0.00 179.01 179.73 3isx h GLU 20 N 0.24 1.05 -0.34 2.33 4.81 -1.83 -1.48 114.58 119.36 3isx h GLU 20 Ca 0.39 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 3isx h GLU 20 Cb 0.66 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3isx h GLU 20 CO -0.51 0.88 -0.11 0.28 -0.73 0.00 0.00 179.01 178.82 3isx h VAL 21 N 1.01 1.28 -0.74 0.32 2.07 -1.42 -1.21 116.25 117.57 3isx h VAL 21 Ca 0.23 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3isx h VAL 21 Cb 0.26 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3isx h VAL 21 CO -0.01 0.39 0.40 0.03 0.02 0.00 0.00 177.57 178.40 3isx h ARG 22 N 0.45 1.03 -0.53 1.57 3.08 -1.13 -0.70 114.38 118.15 3isx h ARG 22 Ca 0.08 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3isx h ARG 22 Cb 0.62 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3isx h ARG 22 CO 0.04 0.77 0.27 0.77 -1.07 0.00 0.00 179.97 180.75 3isx h SER 23 N 1.02 0.68 -0.57 7.04 0.02 -1.14 -0.94 113.55 119.67 3isx h SER 23 Ca 0.26 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3isx h SER 23 Cb 0.04 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3isx h SER 23 CO -0.04 0.61 0.29 0.40 -1.14 0.00 0.00 176.83 176.94 3isx h ILE 24 N 0.71 1.20 -0.23 3.27 2.04 -0.91 -1.02 117.51 122.58 3isx h ILE 24 Ca 0.18 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3isx h ILE 24 Cb 0.09 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3isx h ILE 24 CO -0.03 0.23 0.13 0.40 0.00 0.00 0.00 178.15 178.88 3isx h ILE 25 N 0.77 1.02 -0.76 -0.67 2.04 -0.83 -1.27 117.51 117.81 3isx h ILE 25 Ca 0.20 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3isx h ILE 25 Cb 0.10 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3isx h ILE 25 CO -0.03 0.05 0.38 -0.07 0.00 0.00 0.00 178.15 178.48 3isx h LEU 26 N 0.26 0.96 -0.35 1.44 3.38 -1.00 -0.61 115.31 119.40 3isx h LEU 26 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3isx h LEU 26 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3isx h LEU 26 CO -0.05 0.80 0.15 -0.08 0.09 0.00 0.00 178.44 179.35 3isx h GLU 27 N 1.07 0.51 -0.14 1.13 4.81 -0.86 -1.36 114.58 119.74 3isx h GLU 27 Ca 0.26 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3isx h GLU 27 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3isx h GLU 27 CO -0.04 0.49 -0.10 0.93 -0.73 0.00 0.00 179.01 179.57 3isx h GLU 28 N 0.41 0.21 -0.02 1.92 4.39 -0.96 -2.75 114.58 117.79 3isx h GLU 28 Ca 0.12 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3isx h GLU 28 Cb 0.17 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3isx h GLU 28 CO -0.01 0.32 -0.02 1.28 -1.16 0.00 0.00 179.01 179.42 3isx n LEU 29 N -4.31 1.75 -4.68 1.33 4.77 -0.26 -4.90 117.00 110.70 3isx n LEU 29 Ca -0.01 -0.58 -0.45 0.00 -0.03 0.00 0.00 56.01 54.94 3isx n LEU 29 Cb 0.24 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3isx n LEU 29 CO 0.37 0.29 1.39 1.21 -1.33 0.00 0.00 177.39 179.33 3isx n GLU 30 N 0.34 2.45 -0.35 3.23 4.07 -0.55 -0.59 120.64 129.24 3isx n GLU 30 Ca 0.18 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 58.17 3isx n GLU 30 Cb 0.40 -2.74 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 3isx n GLU 30 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3isx n GLY 31 N 4.03 1.31 0.09 8.31 0.00 -1.26 -4.86 105.19 112.81 3isx n GLY 31 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3isx n GLY 31 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3isx n HIS 32 N -2.00 0.00 -4.35 1.61 -0.00 0.24 -5.01 115.22 105.72 3isx n HIS 32 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 3isx n HIS 32 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 3isx n HIS 32 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 3isx s ILE 33 N -1.21 2.03 -0.77 1.59 -4.36 -1.16 -4.80 121.20 112.52 3isx s ILE 33 Ca 0.04 -1.70 0.24 0.00 -0.26 0.00 0.00 60.65 58.97 3isx s ILE 33 Cb 0.05 -1.83 -0.02 0.00 1.25 0.00 0.00 42.46 41.91 3isx s ILE 33 CO 0.19 -0.00 1.25 0.47 0.24 0.00 0.00 174.94 177.09 3isx n ASP 34 N 0.90 0.61 0.00 4.36 8.00 0.51 -5.01 116.55 125.93 3isx n ASP 34 Ca -0.18 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.17 3isx n ASP 34 Cb 0.54 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 3isx n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3isx n GLY 35 N 1.41 0.32 3.67 0.44 0.00 -1.23 -5.01 105.19 104.79 3isx n GLY 35 Ca 0.04 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3isx n GLY 35 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3isx s HIS 36 N -2.00 -0.27 0.10 1.61 -3.43 -1.26 -2.41 115.29 107.63 3isx s HIS 36 Ca 0.00 -0.09 -0.16 0.00 -0.80 0.00 0.00 55.06 54.01 3isx s HIS 36 Cb 0.00 0.60 0.03 0.00 -1.43 0.00 0.00 32.58 31.78 3isx s HIS 36 CO 0.00 -1.06 0.39 -0.98 -2.00 0.00 0.00 174.74 171.09 3isx s ARG 37 N -3.86 1.02 -0.14 -0.38 1.70 -0.01 -5.00 118.95 112.28 3isx s ARG 37 Ca 0.08 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.73 3isx s ARG 37 Cb -0.04 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 3isx s ARG 37 CO -0.01 -0.38 -0.22 0.42 -1.08 0.00 0.00 175.30 174.03 3isx s ILE 38 N -3.48 2.06 0.87 4.99 1.01 -1.26 -0.59 121.20 124.81 3isx s ILE 38 Ca 0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 3isx s ILE 38 Cb 0.01 -1.83 0.15 0.00 0.01 0.00 0.00 42.46 40.80 3isx s ILE 38 CO -0.10 0.55 1.22 1.51 0.00 0.00 0.00 174.94 178.12 3isx s ASP 39 N 0.87 3.78 0.25 3.58 1.47 -0.42 -4.91 116.67 121.29 3isx s ASP 39 Ca -0.06 0.36 0.22 0.00 1.18 0.00 0.00 52.55 54.26 3isx s ASP 39 Cb -0.15 -0.62 0.98 0.00 -0.34 0.00 0.00 42.92 42.78 3isx s ASP 39 CO -0.03 -2.31 1.66 0.61 0.68 0.00 0.00 175.17 175.78 3isx n GLY 40 N -3.47 -1.14 0.28 2.12 0.00 -1.26 -1.76 105.19 99.97 3isx n GLY 40 Ca 0.12 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3isx n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3isx n LEU 41 N -2.18 1.25 0.00 0.99 4.77 -1.26 -4.97 117.00 115.60 3isx n LEU 41 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3isx n LEU 41 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3isx n LEU 41 CO 0.16 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3isx n GLY 42 N 1.38 0.83 3.71 -0.72 0.00 -0.72 -4.84 105.19 104.83 3isx n GLY 42 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3isx n GLY 42 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3isx s ASN 43 N -2.02 7.10 -0.22 1.61 0.01 -1.26 -4.62 114.94 115.53 3isx s ASN 43 Ca 0.00 1.95 -0.14 0.00 -0.71 0.00 0.00 52.86 53.97 3isx s ASN 43 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3isx s ASN 43 CO 0.00 -0.47 0.30 -0.22 -1.51 0.00 0.00 177.10 175.20 3isx s LEU 44 N 1.27 4.14 -0.12 0.60 2.96 -0.58 -1.30 118.68 125.65 3isx s LEU 44 Ca 0.58 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 3isx s LEU 44 Cb -0.28 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.07 3isx s LEU 44 CO 0.28 -0.02 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.46 3isx s ILE 45 N 1.20 1.85 0.25 6.68 1.09 0.25 -0.46 121.20 132.06 3isx s ILE 45 Ca 0.14 -0.86 0.08 0.00 -1.10 0.00 0.00 60.65 58.91 3isx s ILE 45 Cb -0.14 -1.64 -0.05 0.00 -1.06 0.00 0.00 42.46 39.56 3isx s ILE 45 CO 0.06 0.51 -0.12 0.68 -0.10 0.00 0.00 174.94 175.97 3isx s VAL 46 N 0.79 1.88 0.05 2.92 -7.23 0.19 -0.83 120.40 118.17 3isx s VAL 46 Ca -0.09 -2.22 -0.12 0.00 -1.81 0.00 0.00 61.98 57.74 3isx s VAL 46 Cb -0.16 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.53 3isx s VAL 46 CO 0.00 -0.44 0.27 -1.66 -0.31 0.00 0.00 175.10 172.96 3isx s TRP 47 N -2.87 -0.05 -0.06 2.82 -2.14 -1.01 -0.89 118.94 114.74 3isx s TRP 47 Ca 0.27 -0.14 -0.17 0.00 2.66 0.00 0.00 56.10 58.72 3isx s TRP 47 Cb 0.00 0.06 0.03 0.00 -3.10 0.00 0.00 33.47 30.46 3isx s TRP 47 CO 0.11 -0.49 0.39 0.21 -2.66 0.00 0.00 176.95 174.51 3isx s LYS 48 N -2.69 0.68 0.00 3.25 2.20 -0.27 -0.36 119.74 122.56 3isx s LYS 48 Ca -0.04 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 3isx s LYS 48 Cb -0.00 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 3isx s LYS 48 CO -0.04 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 3isx n GLY 49 N 1.63 1.15 0.01 5.54 0.00 -1.26 -0.95 105.19 111.31 3isx n GLY 49 Ca -0.19 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3isx n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3isx n SER 50 N -0.09 0.00 -4.71 1.61 7.64 -1.25 -4.67 113.62 112.14 3isx n SER 50 Ca 0.00 -1.01 -0.31 0.00 1.01 0.00 0.00 58.87 58.56 3isx n SER 50 Cb 0.00 -0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 3isx n SER 50 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3isx s GLY 51 N -0.01 1.67 0.16 0.23 0.00 -1.21 -4.78 107.32 103.37 3isx s GLY 51 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 3isx s GLY 51 CO 0.00 0.73 1.73 1.05 0.00 0.00 0.00 173.10 176.61 3isx h GLU 52 N -1.54 0.73 -6.58 2.90 9.09 -1.91 -3.17 114.58 114.11 3isx h GLU 52 Ca -0.45 -0.12 -0.51 0.00 0.05 0.00 0.00 59.36 58.33 3isx h GLU 52 Cb 1.26 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.21 3isx h GLU 52 CO 0.48 0.63 0.33 0.21 0.05 0.00 0.00 179.01 180.71 3isx s LYS 53 N -5.65 4.71 -0.21 1.06 2.20 -1.26 -4.83 119.74 115.76 3isx s LYS 53 Ca -0.13 1.41 -0.06 0.00 -0.36 0.00 0.00 55.97 56.83 3isx s LYS 53 Cb 0.12 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 3isx s LYS 53 CO 0.77 0.29 0.04 0.15 -0.36 0.00 0.00 175.35 176.24 3isx s LYS 54 N -0.29 3.72 -0.08 4.03 1.02 -1.26 -0.57 119.74 126.31 3isx s LYS 54 Ca 0.45 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.99 3isx s LYS 54 Cb -0.24 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 3isx s LYS 54 CO 0.29 0.02 -0.11 0.08 -0.92 0.00 0.00 175.35 174.71 3isx s VAL 55 N 1.02 1.15 -0.06 3.17 1.01 -0.57 -0.25 120.40 125.86 3isx s VAL 55 Ca 0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3isx s VAL 55 Cb -0.14 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 3isx s VAL 55 CO 0.02 0.37 0.37 -0.63 0.00 0.00 0.00 175.10 175.23 3isx s ILE 56 N 1.00 5.16 -0.15 2.22 1.01 -0.17 -0.59 121.20 129.68 3isx s ILE 56 Ca -0.08 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.30 3isx s ILE 56 Cb -0.15 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 3isx s ILE 56 CO -0.00 0.50 -0.11 -0.76 0.00 0.00 0.00 174.94 174.57 3isx s LEU 57 N -0.48 2.79 -0.14 2.97 1.43 0.44 -0.31 118.68 125.39 3isx s LEU 57 Ca 0.22 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3isx s LEU 57 Cb -0.15 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3isx s LEU 57 CO 0.10 0.13 -0.08 -0.62 0.23 0.00 0.00 176.35 176.11 3isx s ASP 58 N 0.58 2.49 0.04 2.29 2.15 -0.48 -0.21 116.67 123.52 3isx s ASP 58 Ca -0.07 -0.46 0.07 0.00 0.43 0.00 0.00 52.55 52.52 3isx s ASP 58 Cb -0.15 -0.92 -0.02 0.00 -0.30 0.00 0.00 42.92 41.52 3isx s ASP 58 CO 0.03 -0.13 -0.19 0.00 -0.17 0.00 0.00 175.17 174.71 3isx s ALA 59 N 1.64 1.59 0.21 3.66 0.00 -0.51 -0.57 121.76 127.77 3isx s ALA 59 Ca 0.03 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 3isx s ALA 59 Cb -0.14 -0.31 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 3isx s ALA 59 CO -0.08 0.35 0.64 -3.38 0.00 0.00 0.00 175.76 173.28 3isx s HIS 60 N -0.77 3.57 -0.14 0.00 -3.43 -1.26 -0.83 115.29 112.42 3isx s HIS 60 Ca 0.06 1.17 0.19 0.00 -0.80 0.00 0.00 55.06 55.69 3isx s HIS 60 Cb -0.08 -2.47 -0.15 0.00 -1.43 0.00 0.00 32.58 28.45 3isx s HIS 60 CO 0.01 0.33 0.74 1.51 -2.00 0.00 0.00 174.74 175.34 3isx n ILE 61 N 0.50 0.83 -2.87 -5.38 3.06 0.60 -4.18 119.36 111.92 3isx n ILE 61 Ca -0.02 -0.63 -0.31 0.00 -2.50 0.00 0.00 62.75 59.28 3isx n ILE 61 Cb 0.52 -0.46 -0.04 0.00 0.54 0.00 0.00 39.64 40.20 3isx n ILE 61 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3isx s ASP 62 N -5.40 6.57 0.28 9.51 -4.77 -1.26 -4.85 116.67 116.75 3isx s ASP 62 Ca -0.04 1.19 0.09 0.00 -3.30 0.00 0.00 52.55 50.50 3isx s ASP 62 Cb 0.10 -2.35 -0.05 0.00 -1.09 0.00 0.00 42.92 39.53 3isx s ASP 62 CO 0.83 -0.38 -0.13 -1.83 0.70 0.00 0.00 175.17 174.36 3isx s GLU 63 N -3.71 1.61 0.77 2.11 -1.05 -0.30 -4.28 118.70 113.85 3isx s GLU 63 Ca 0.52 -1.78 -0.11 0.00 -0.15 0.00 0.00 54.97 53.46 3isx s GLU 63 Cb -0.10 -1.47 0.06 0.00 -0.44 0.00 0.00 34.13 32.18 3isx s GLU 63 CO 0.29 0.18 1.09 0.96 0.95 0.00 0.00 175.26 178.73 3isx s ILE 64 N -2.76 3.33 0.00 1.83 -4.36 -1.26 -2.63 121.20 115.35 3isx s ILE 64 Ca 0.29 0.43 0.00 0.00 -0.26 0.00 0.00 60.65 61.11 3isx s ILE 64 Cb -0.00 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.78 3isx s ILE 64 CO 0.13 -0.57 0.00 0.61 0.24 0.00 0.00 174.94 175.35 3isx n GLY 65 N -1.25 0.90 3.11 6.27 0.00 -0.55 -4.68 105.19 108.99 3isx n GLY 65 Ca 0.09 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3isx n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3isx s VAL 66 N -1.28 0.51 -0.02 1.61 -7.23 -0.10 -0.73 120.40 113.17 3isx s VAL 66 Ca 0.00 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 3isx s VAL 66 Cb 0.00 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.71 3isx s VAL 66 CO 0.00 -0.72 -0.14 0.54 -0.31 0.00 0.00 175.10 174.46 3isx s VAL 67 N -2.85 1.14 -0.13 1.32 0.11 -0.23 -1.00 120.40 118.76 3isx s VAL 67 Ca 0.02 -0.60 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 3isx s VAL 67 Cb 0.00 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3isx s VAL 67 CO -0.04 0.33 1.07 -0.69 -3.33 0.00 0.00 175.10 172.44 3isx s VAL 68 N -0.18 4.63 -0.26 2.04 1.01 0.10 -1.39 120.40 126.35 3isx s VAL 68 Ca 0.02 1.93 0.06 0.00 0.00 0.00 0.00 61.98 64.00 3isx s VAL 68 Cb -0.07 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 3isx s VAL 68 CO 0.00 -0.05 0.25 0.35 0.00 0.00 0.00 175.10 175.65 3isx n THR 69 N 4.82 0.00 -3.50 3.92 -2.24 0.25 -0.51 114.28 117.02 3isx n THR 69 Ca 0.10 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 3isx n THR 69 Cb 0.47 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 3isx n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3isx s ASN 70 N -1.74 -0.63 -0.07 3.42 2.47 -1.19 -4.95 114.94 112.25 3isx s ASN 70 Ca 0.02 0.54 0.02 0.00 0.42 0.00 0.00 52.86 53.86 3isx s ASN 70 Cb 0.05 0.55 0.02 0.00 -1.45 0.00 0.00 41.25 40.41 3isx s ASN 70 CO 0.26 -0.69 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.15 3isx s VAL 71 N -1.79 1.11 0.65 -5.21 1.01 -1.26 -0.90 120.40 114.02 3isx s VAL 71 Ca -0.08 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3isx s VAL 71 Cb -0.00 -1.03 0.10 0.00 0.00 0.00 0.00 36.38 35.44 3isx s VAL 71 CO 0.05 0.35 0.90 1.51 0.00 0.00 0.00 175.10 177.91 3isx s ASP 72 N 0.83 4.72 0.59 3.32 1.47 -0.11 -4.95 116.67 122.53 3isx s ASP 72 Ca -0.12 -0.36 0.37 0.00 1.18 0.00 0.00 52.55 53.62 3isx s ASP 72 Cb -0.15 -0.18 1.85 0.00 -0.34 0.00 0.00 42.92 44.09 3isx s ASP 72 CO 0.02 -1.58 2.18 0.44 0.68 0.00 0.00 175.17 176.90 3isx h ASP 73 N -0.24 0.00 -0.67 2.11 3.32 -1.95 -1.72 116.42 117.26 3isx h ASP 73 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3isx h ASP 73 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3isx h ASP 73 CO 0.43 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 178.27 3isx n LYS 74 N -3.23 2.70 -0.42 3.56 4.76 -1.26 -2.70 118.16 121.57 3isx n LYS 74 Ca -0.02 -2.59 0.00 0.00 -2.87 0.00 0.00 58.31 52.83 3isx n LYS 74 Cb 0.19 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3isx n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3isx n GLY 75 N 1.59 0.73 3.79 0.72 0.00 -0.65 -3.68 105.19 107.69 3isx n GLY 75 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3isx n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3isx s PHE 76 N -2.64 3.77 -0.13 1.61 0.08 -1.26 -4.63 117.98 114.78 3isx s PHE 76 Ca 0.00 1.60 -0.10 0.00 0.12 0.00 0.00 56.93 58.55 3isx s PHE 76 Cb 0.00 -2.76 -0.05 0.00 -0.57 0.00 0.00 43.02 39.64 3isx s PHE 76 CO 0.00 0.38 0.19 -0.51 -0.10 0.00 0.00 175.22 175.18 3isx s LEU 77 N -1.65 4.33 0.04 -0.37 1.43 -0.22 -0.94 118.68 121.31 3isx s LEU 77 Ca 0.42 0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.91 3isx s LEU 77 Cb -0.20 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3isx s LEU 77 CO 0.24 0.30 0.32 -0.89 0.23 0.00 0.00 176.35 176.55 3isx s THR 78 N -0.48 5.22 0.10 5.49 2.01 -0.07 -0.75 115.64 127.15 3isx s THR 78 Ca 0.14 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.44 3isx s THR 78 Cb -0.12 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3isx s THR 78 CO 0.04 0.32 -0.10 0.27 -0.69 0.00 0.00 174.62 174.45 3isx s ILE 79 N -1.35 0.94 0.22 1.82 -4.36 -1.26 -0.58 121.20 116.63 3isx s ILE 79 Ca 0.30 -1.64 0.09 0.00 -0.26 0.00 0.00 60.65 59.15 3isx s ILE 79 Cb -0.13 -1.36 -0.05 0.00 1.25 0.00 0.00 42.46 42.17 3isx s ILE 79 CO 0.17 -0.56 -0.17 -1.61 0.24 0.00 0.00 174.94 173.02 3isx s GLU 80 N -2.79 1.43 0.35 0.37 2.02 -0.49 -4.75 118.70 114.85 3isx s GLU 80 Ca 0.05 -1.61 -0.26 0.00 0.02 0.00 0.00 54.97 53.17 3isx s GLU 80 Cb -0.03 -1.37 -0.09 0.00 0.10 0.00 0.00 34.13 32.74 3isx s GLU 80 CO 0.00 0.25 1.05 -1.25 0.02 0.00 0.00 175.26 175.33 3isx s PRO 81 N -3.44 4.35 -0.24 0.39 0.04 -1.26 -1.07 135.00 133.77 3isx s PRO 81 Ca 0.24 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 3isx s PRO 81 Cb -0.03 -2.77 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 3isx s PRO 81 CO 0.09 0.01 -0.03 0.08 0.04 0.00 0.00 177.00 177.20 3isx s VAL 82 N -1.50 3.38 0.00 -0.36 1.01 0.09 -4.79 120.40 118.24 3isx s VAL 82 Ca 0.53 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3isx s VAL 82 Cb -0.25 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3isx s VAL 82 CO 0.31 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3isx n GLY 83 N 4.79 -1.67 0.26 4.51 0.00 -1.26 -1.48 105.19 110.33 3isx n GLY 83 Ca -0.17 -1.32 0.17 0.00 0.00 0.00 0.00 46.02 44.70 3isx n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3isx h GLY 84 N 0.00 0.00 -5.00 -0.02 0.00 -1.95 -3.47 103.07 92.62 3isx h GLY 84 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3isx h GLY 84 CO 0.00 0.00 -0.42 1.55 0.00 0.00 0.00 176.54 177.67 3isx n VAL 85 N -2.74 1.88 -3.34 4.60 3.14 -1.26 -4.95 118.33 115.66 3isx n VAL 85 Ca -0.02 -0.47 -0.38 0.00 -2.96 0.00 0.00 64.34 60.51 3isx n VAL 85 Cb 0.10 -0.11 -0.06 0.00 -1.06 0.00 0.00 33.84 32.71 3isx n VAL 85 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3isx s SER 86 N -0.89 6.98 0.52 6.55 0.15 -1.26 -4.95 113.70 120.81 3isx s SER 86 Ca 0.65 1.17 0.23 0.00 0.70 0.00 0.00 55.95 58.70 3isx s SER 86 Cb -0.92 -2.33 1.43 0.00 -1.71 0.00 0.00 66.02 62.49 3isx s SER 86 CO 0.56 0.28 2.12 1.55 1.20 0.00 0.00 173.24 178.96 3isx h PRO 87 N 4.65 0.00 -2.00 5.44 0.13 -1.92 -3.19 132.00 135.10 3isx h PRO 87 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3isx h PRO 87 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3isx h PRO 87 CO 0.63 0.08 0.00 0.66 -0.23 0.00 0.00 178.00 179.14 3isx n TYR 88 N -4.00 0.00 0.00 1.56 4.01 -1.26 -2.64 117.16 114.83 3isx n TYR 88 Ca -0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3isx n TYR 88 Cb 0.17 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3isx n TYR 88 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3isx n LEU 90 N 1.37 0.00 -4.73 7.72 4.77 -1.21 -4.97 117.00 119.96 3isx n LEU 90 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3isx n LEU 90 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3isx n LEU 90 CO 0.00 0.00 1.33 -0.11 -1.33 0.00 0.00 177.39 177.28 3isx n LEU 91 N 0.00 4.09 -3.70 2.23 7.94 -1.08 -1.63 117.00 124.85 3isx n LEU 91 Ca 0.00 1.09 -0.25 0.00 -1.11 0.00 0.00 56.01 55.74 3isx n LEU 91 Cb 0.00 -1.58 0.06 0.00 0.53 0.00 0.00 43.42 42.43 3isx n LEU 91 CO 0.00 0.17 0.14 0.61 -1.11 0.00 0.00 177.39 177.20 3isx n GLY 92 N 3.44 -0.47 3.43 -3.96 0.00 -1.02 -4.99 105.19 101.62 3isx n GLY 92 Ca 0.14 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 3isx n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3isx s LYS 93 N -6.24 1.55 -0.06 1.61 -0.14 -0.65 -4.98 119.74 110.83 3isx s LYS 93 Ca 0.45 -1.51 -0.10 0.00 -1.36 0.00 0.00 55.97 53.45 3isx s LYS 93 Cb -0.21 -1.86 -0.05 0.00 -1.68 0.00 0.00 37.83 34.03 3isx s LYS 93 CO 0.78 0.40 0.25 1.03 -0.76 0.00 0.00 175.35 177.05 3isx s ARG 94 N -2.67 3.63 -0.08 1.68 0.52 -1.26 -1.47 118.95 119.30 3isx s ARG 94 Ca 0.21 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 3isx s ARG 94 Cb -0.08 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 3isx s ARG 94 CO 0.10 0.73 -0.19 0.42 0.02 0.00 0.00 175.30 176.38 3isx s ILE 95 N -1.09 2.58 -0.19 1.52 -1.09 0.04 -1.84 121.20 121.13 3isx s ILE 95 Ca 0.20 -0.86 -0.08 0.00 -2.23 0.00 0.00 60.65 57.67 3isx s ILE 95 Cb -0.14 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 3isx s ILE 95 CO 0.09 0.56 0.09 -0.60 -1.23 0.00 0.00 174.94 173.85 3isx s ARG 96 N -0.07 4.03 0.46 2.79 6.06 0.46 -0.75 118.95 131.92 3isx s ARG 96 Ca -0.04 -0.31 0.03 0.00 -2.50 0.00 0.00 55.73 52.90 3isx s ARG 96 Cb -0.14 -3.30 0.01 0.00 0.06 0.00 0.00 34.95 31.57 3isx s ARG 96 CO 0.04 0.24 0.66 -0.06 -2.50 0.00 0.00 175.30 173.68 3isx s PHE 97 N 0.48 3.03 0.25 5.12 0.08 -0.02 -1.21 117.98 125.71 3isx s PHE 97 Ca 0.05 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 3isx s PHE 97 Cb -0.12 -2.41 0.40 0.00 -0.57 0.00 0.00 43.02 40.32 3isx s PHE 97 CO 0.00 -0.48 1.84 1.05 -0.10 0.00 0.00 175.22 177.53 3isx h GLU 98 N 0.41 0.93 -0.09 0.44 4.11 -1.86 -1.10 114.58 117.41 3isx h GLU 98 Ca -0.44 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3isx h GLU 98 Cb 1.27 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3isx h GLU 98 CO 0.53 0.61 0.00 0.27 0.07 0.00 0.00 179.01 180.50 3isx n ASN 99 N -4.64 0.57 0.00 3.06 0.23 -1.26 -4.87 115.26 108.35 3isx n ASN 99 Ca 0.14 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3isx n ASN 99 Cb 0.24 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3isx n ASN 99 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3isx n GLY 100 N 0.75 1.02 3.70 4.83 0.00 -0.42 -5.05 105.19 110.01 3isx n GLY 100 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3isx n GLY 100 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3isx n THR 101 N -2.00 1.44 -4.38 2.61 -1.04 -1.26 -4.65 114.28 105.00 3isx n THR 101 Ca 0.00 -0.36 -0.35 0.00 -2.04 0.00 0.00 64.05 61.30 3isx n THR 101 Cb 0.00 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 66.80 3isx n THR 101 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3isx s ILE 102 N -0.52 4.20 0.16 12.58 -1.09 -1.26 -0.84 121.20 134.43 3isx s ILE 102 Ca 0.62 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.82 3isx s ILE 102 Cb -0.58 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3isx s ILE 102 CO 0.55 0.58 -0.12 -0.83 -1.23 0.00 0.00 174.94 173.89 3isx s GLY 103 N -0.57 1.18 -0.15 6.18 0.00 0.07 -4.60 107.32 109.43 3isx s GLY 103 Ca 0.09 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.29 3isx s GLY 103 CO 0.02 -1.59 -0.08 0.14 0.00 0.00 0.00 173.10 171.59 3isx s VAL 104 N -2.96 3.49 -0.10 1.40 1.01 -0.03 -0.78 120.40 122.43 3isx s VAL 104 Ca 0.17 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 3isx s VAL 104 Cb -0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3isx s VAL 104 CO 0.03 0.50 0.90 -0.69 0.00 0.00 0.00 175.10 175.84 3isx s VAL 105 N 0.41 4.87 0.00 2.92 1.01 -0.54 -0.78 120.40 128.30 3isx s VAL 105 Ca -0.07 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.73 3isx s VAL 105 Cb -0.15 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3isx s VAL 105 CO 0.04 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3isx n GLY 106 N 3.17 4.80 3.58 4.51 0.00 -0.15 -2.43 105.19 118.67 3isx n GLY 106 Ca 0.05 -1.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 3isx n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3isx s GLU 108 N 3.20 2.10 0.00 1.61 2.02 0.20 -1.31 118.70 126.52 3isx s GLU 108 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.77 3isx s GLU 108 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 32.04 3isx s GLU 108 CO 0.00 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3isx n GLY 109 N 0.10 4.07 0.55 -1.39 0.00 -1.26 -4.74 105.19 102.52 3isx n GLY 109 Ca -0.11 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 3isx n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3isx n GLU 110 N 0.00 0.30 -1.95 1.61 1.02 -1.26 -4.79 120.64 115.57 3isx n GLU 110 Ca 0.00 0.13 -0.30 0.00 -0.02 0.00 0.00 57.16 56.97 3isx n GLU 110 Cb 0.00 -1.01 0.04 0.00 -0.02 0.00 0.00 31.44 30.45 3isx n GLU 110 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3isx s THR 111 N -2.31 3.60 0.18 2.62 -4.23 -1.26 -4.89 115.64 109.36 3isx s THR 111 Ca -0.19 0.45 -0.10 0.00 -1.18 0.00 0.00 61.69 60.66 3isx s THR 111 Cb 0.07 -3.50 0.09 0.00 1.34 0.00 0.00 72.50 70.49 3isx s THR 111 CO 0.25 -0.65 1.70 0.74 -0.54 0.00 0.00 174.62 176.13 3isx h THR 112 N -0.57 1.25 -0.23 3.99 2.02 -1.98 -0.92 112.91 116.47 3isx h THR 112 Ca -0.45 -0.90 -0.13 0.00 0.77 0.00 0.00 66.41 65.71 3isx h THR 112 Cb 1.25 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3isx h THR 112 CO 0.63 0.34 -0.40 -0.33 0.37 0.00 0.00 175.52 176.14 3isx h GLU 113 N 0.94 0.54 0.38 6.66 3.07 -1.97 0.36 114.58 124.55 3isx h GLU 113 Ca 0.20 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 3isx h GLU 113 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3isx h GLU 113 CO -0.00 0.85 -0.18 0.93 -1.40 0.00 0.00 179.01 179.20 3isx h GLU 114 N 0.45 -0.49 -0.59 2.33 5.08 -1.88 0.13 114.58 119.60 3isx h GLU 114 Ca 0.04 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3isx h GLU 114 Cb 0.89 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3isx h GLU 114 CO 0.08 -0.29 0.06 0.00 -1.00 0.00 0.00 179.01 177.86 3isx h ARG 115 N -0.58 0.99 -0.38 2.33 3.08 -1.09 0.11 114.38 118.84 3isx h ARG 115 Ca -0.05 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 3isx h ARG 115 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3isx h ARG 115 CO 0.09 0.93 0.17 1.96 -1.07 0.00 0.00 179.97 182.05 3isx h GLN 116 N 0.92 0.56 -0.50 0.04 1.08 -0.24 0.50 115.11 117.47 3isx h GLN 116 Ca 0.18 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3isx h GLN 116 Cb 0.45 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3isx h GLN 116 CO 0.02 0.51 0.24 1.49 -0.95 0.00 0.00 178.83 180.13 3isx h GLU 117 N 0.48 0.72 0.07 1.46 4.22 -0.38 -1.24 114.58 119.91 3isx h GLU 117 Ca 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 3isx h GLU 117 Cb 0.14 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3isx h GLU 117 CO -0.01 0.61 -0.04 -0.91 -2.18 0.00 0.00 179.01 176.48 3isx h ASN 118 N 0.66 -0.08 0.95 1.04 2.35 -0.48 -3.14 115.58 116.87 3isx h ASN 118 Ca 0.17 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 3isx h ASN 118 Cb 0.13 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3isx h ASN 118 CO -0.02 0.22 -0.25 1.62 -1.65 0.00 0.00 177.43 177.36 3isx h VAL 119 N -0.40 0.59 0.00 2.81 3.04 0.01 -2.03 116.25 120.27 3isx h VAL 119 Ca -0.01 -1.19 -0.11 0.00 -1.01 0.00 0.00 66.70 64.38 3isx h VAL 119 Cb 0.34 1.80 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 3isx h VAL 119 CO 0.02 0.24 -0.52 0.03 -1.01 0.00 0.00 177.57 176.32 3isx h ARG 120 N 0.00 0.00 -1.53 4.17 -0.00 -1.27 -3.32 114.38 112.43 3isx h ARG 120 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.98 58.98 3isx h ARG 120 Cb 0.78 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.34 3isx h ARG 120 CO 0.03 0.52 -0.93 1.63 0.00 0.00 0.00 179.97 181.22 3isx n LYS 121 N -3.51 2.33 -1.76 0.04 4.01 -0.99 -5.10 118.16 113.18 3isx n LYS 121 Ca 0.00 -4.00 -0.42 0.00 -0.51 0.00 0.00 58.31 53.38 3isx n LYS 121 Cb 0.62 -1.85 -0.03 0.00 -0.51 0.00 0.00 35.03 33.27 3isx n LYS 121 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3isx s LEU 122 N -3.25 4.38 0.10 -0.35 2.96 -0.80 -4.94 118.68 116.77 3isx s LEU 122 Ca 0.40 2.80 0.10 0.00 -0.22 0.00 0.00 54.13 57.21 3isx s LEU 122 Cb 0.40 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3isx s LEU 122 CO -0.09 -0.96 -0.25 -0.55 -1.32 0.00 0.00 176.35 173.18 3isx s SER 123 N 1.56 2.99 0.53 3.68 0.15 -1.26 -4.87 113.70 116.48 3isx s SER 123 Ca 0.76 -0.67 0.18 0.00 0.70 0.00 0.00 55.95 56.91 3isx s SER 123 Cb -0.48 -0.21 1.31 0.00 -1.71 0.00 0.00 66.02 64.93 3isx s SER 123 CO 0.33 0.16 2.14 -0.26 1.20 0.00 0.00 173.24 176.81 3isx h PHE 124 N 4.24 0.00 0.00 3.44 -1.00 -1.95 -1.48 116.94 120.19 3isx h PHE 124 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 3isx h PHE 124 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 3isx h PHE 124 CO 0.57 0.00 0.00 -0.40 -1.61 0.00 0.00 178.31 176.87 3isx n ASP 125 N -4.48 0.00 -0.50 2.17 5.75 -1.26 -1.50 116.55 116.73 3isx n ASP 125 Ca -0.02 -0.34 0.12 0.00 -0.01 0.00 0.00 54.79 54.54 3isx n ASP 125 Cb 0.14 -0.17 0.13 0.00 -1.03 0.00 0.00 41.12 40.20 3isx n ASP 125 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3isx n LYS 126 N -1.17 1.30 -3.33 0.11 4.76 -0.56 -4.96 118.16 114.31 3isx n LYS 126 Ca 0.14 -1.00 -0.24 0.00 -2.87 0.00 0.00 58.31 54.34 3isx n LYS 126 Cb 0.14 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.84 3isx n LYS 126 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3isx s LEU 127 N -2.39 3.96 0.18 -0.35 1.43 -0.56 -0.63 118.68 120.32 3isx s LEU 127 Ca 0.22 0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 3isx s LEU 127 Cb 0.19 -3.28 0.01 0.00 0.03 0.00 0.00 46.19 43.14 3isx s LEU 127 CO 0.51 -0.35 0.40 0.72 0.23 0.00 0.00 176.35 177.85 3isx s PHE 128 N -2.35 0.13 -0.08 0.29 -0.12 -0.43 -4.63 117.98 110.80 3isx s PHE 128 Ca 0.41 -0.48 0.05 0.00 -0.05 0.00 0.00 56.93 56.85 3isx s PHE 128 Cb -0.10 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3isx s PHE 128 CO 0.36 -0.81 -0.22 0.42 -0.05 0.00 0.00 175.22 174.92 3isx s ILE 129 N -3.92 2.27 -0.32 -4.49 1.01 0.07 -0.98 121.20 114.85 3isx s ILE 129 Ca 0.13 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3isx s ILE 129 Cb 0.01 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3isx s ILE 129 CO -0.02 0.56 0.14 -0.62 0.00 0.00 0.00 174.94 175.00 3isx s ASP 130 N -0.02 5.43 -0.16 3.58 -1.08 0.04 -1.06 116.67 123.40 3isx s ASP 130 Ca -0.07 -0.67 0.16 0.00 -0.52 0.00 0.00 52.55 51.45 3isx s ASP 130 Cb -0.15 -1.96 0.65 0.00 -1.46 0.00 0.00 42.92 40.00 3isx s ASP 130 CO 0.05 -0.22 1.57 2.30 0.52 0.00 0.00 175.17 179.38 3isx n ILE 131 N 4.94 2.20 -0.90 4.11 -5.35 -1.26 -0.85 119.36 122.26 3isx n ILE 131 Ca -0.14 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 60.87 3isx n ILE 131 Cb 0.48 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 3isx n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3isx n GLY 132 N 0.37 0.74 3.81 3.28 0.00 -1.26 -4.94 105.19 107.18 3isx n GLY 132 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3isx n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isx s ALA 133 N -2.85 2.78 -1.46 4.61 0.00 -1.26 -4.99 121.76 118.58 3isx s ALA 133 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 51.96 52.43 3isx s ALA 133 Cb 0.00 -3.22 0.09 0.00 0.00 0.00 0.00 23.12 19.99 3isx s ALA 133 CO 0.00 -0.76 0.87 0.09 0.00 0.00 0.00 175.76 175.96 3isx n ASN 134 N -2.02 1.97 -3.68 0.00 3.02 -1.26 -4.65 115.26 108.64 3isx n ASN 134 Ca 0.08 -1.48 -0.10 0.00 -0.03 0.00 0.00 54.58 53.05 3isx n ASN 134 Cb 0.53 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 3isx n ASN 134 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3isx s SER 135 N -0.99 -0.33 0.23 6.41 1.04 -1.24 -4.62 113.70 114.19 3isx s SER 135 Ca 0.14 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 56.11 3isx s SER 135 Cb 0.10 0.60 0.28 0.00 0.10 0.00 0.00 66.02 67.11 3isx s SER 135 CO 0.15 -1.07 1.84 -0.09 0.98 0.00 0.00 173.24 175.04 3isx h ARG 136 N 2.13 0.83 -0.47 4.02 2.43 -1.56 -2.06 114.38 119.70 3isx h ARG 136 Ca -0.29 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 3isx h ARG 136 Cb 1.27 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 3isx h ARG 136 CO 0.36 0.55 0.19 0.93 -1.51 0.00 0.00 179.97 180.49 3isx h GLU 137 N 0.86 0.69 -0.57 0.20 3.07 -1.89 0.23 114.58 117.17 3isx h GLU 137 Ca 0.34 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 3isx h GLU 137 Cb 0.16 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3isx h GLU 137 CO -0.17 0.62 0.17 0.93 -1.40 0.00 0.00 179.01 179.17 3isx h GLU 138 N 0.61 0.89 -0.39 2.33 5.08 -1.92 -2.95 114.58 118.22 3isx h GLU 138 Ca 0.16 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3isx h GLU 138 Cb 0.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3isx h GLU 138 CO -0.01 0.81 -0.22 0.00 -1.00 0.00 0.00 179.01 178.59 3isx h ALA 139 N 1.04 0.55 -0.02 3.43 0.00 -1.05 -2.99 119.26 120.22 3isx h ALA 139 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3isx h ALA 139 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3isx h ALA 139 CO -0.00 0.53 -0.08 1.96 0.00 0.00 0.00 179.25 181.65 3isx h GLN 140 N 0.65 0.03 -0.31 0.00 4.20 -0.96 0.90 115.11 119.61 3isx h GLN 140 Ca 0.08 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3isx h GLN 140 Cb 0.78 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3isx h GLN 140 CO 0.06 0.12 0.00 1.63 -0.67 0.00 0.00 178.83 179.97 3isx n LYS 141 N -4.42 0.54 -1.42 1.46 5.02 -1.12 -2.90 118.16 115.33 3isx n LYS 141 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.14 3isx n LYS 141 Cb 0.17 -1.16 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 3isx n LYS 141 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3isx s PRO 144 N 7.75 1.20 0.19 0.00 0.04 -1.14 -4.82 135.00 138.22 3isx s PRO 144 Ca 0.65 1.20 -0.33 0.00 0.04 0.00 0.00 61.00 62.56 3isx s PRO 144 Cb -0.03 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 3isx s PRO 144 CO 0.16 -2.39 1.42 -0.89 0.04 0.00 0.00 177.00 175.34 3isx n ILE 145 N -4.03 0.58 0.00 0.56 5.41 -1.26 -1.33 119.36 119.28 3isx n ILE 145 Ca 0.09 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3isx n ILE 145 Cb 0.53 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 3isx n ILE 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3isx n GLY 146 N 2.53 0.12 3.76 7.39 0.00 0.34 -5.01 105.19 114.31 3isx n GLY 146 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3isx n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3isx s SER 147 N -2.16 6.74 0.06 1.61 0.01 -0.44 -4.71 113.70 114.80 3isx s SER 147 Ca 0.00 2.66 -0.02 0.00 1.31 0.00 0.00 55.95 59.91 3isx s SER 147 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 3isx s SER 147 CO 0.00 -0.60 0.23 -0.36 0.41 0.00 0.00 173.24 172.93 3isx s PHE 148 N -0.66 3.52 0.08 2.43 0.08 -1.26 -0.72 117.98 121.44 3isx s PHE 148 Ca 0.53 0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.93 3isx s PHE 148 Cb -0.40 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3isx s PHE 148 CO 0.49 0.58 -0.07 0.20 -0.10 0.00 0.00 175.22 176.32 3isx s GLY 149 N -2.35 0.68 0.30 4.36 0.00 -0.17 -3.03 107.32 107.11 3isx s GLY 149 Ca 0.34 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.93 3isx s GLY 149 CO 0.25 -1.25 0.07 -1.34 0.00 0.00 0.00 173.10 170.83 3isx s VAL 150 N -2.93 0.97 0.28 1.40 -7.23 -0.35 -0.92 120.40 111.62 3isx s VAL 150 Ca 0.05 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 3isx s VAL 150 Cb 0.01 -2.73 -0.13 0.00 0.56 0.00 0.00 36.38 34.08 3isx s VAL 150 CO -0.03 -0.01 1.41 -1.22 -0.31 0.00 0.00 175.10 174.94 3isx n TYR 151 N -0.61 2.31 0.41 2.82 4.01 -1.26 -0.41 117.16 124.43 3isx n TYR 151 Ca -0.01 0.44 0.13 0.00 -0.16 0.00 0.00 57.90 58.30 3isx n TYR 151 Cb 0.66 -2.47 0.46 0.00 -0.31 0.00 0.00 39.34 37.69 3isx n TYR 151 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3isx h ASP 152 N 3.85 0.00 -4.15 7.72 3.58 -1.67 -3.41 116.42 122.35 3isx h ASP 152 Ca -0.46 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.46 3isx h ASP 152 Cb 1.27 0.00 0.18 0.00 1.72 0.00 0.00 39.33 42.50 3isx h ASP 152 CO 0.73 0.00 0.29 -1.20 -2.88 0.00 0.00 179.24 176.18 3isx n SER 153 N -2.55 0.89 0.00 2.28 7.64 -1.26 -4.96 113.62 115.66 3isx n SER 153 Ca 0.03 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.49 3isx n SER 153 Cb 0.34 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 3isx n SER 153 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3isx n GLY 154 N 0.60 5.76 3.76 0.23 0.00 -1.26 -4.55 105.19 109.73 3isx n GLY 154 Ca 0.13 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 3isx n GLY 154 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3isx s PHE 155 N -0.12 3.72 -0.02 1.61 2.19 -1.26 -4.30 117.98 119.80 3isx s PHE 155 Ca 0.00 1.31 -0.06 0.00 0.33 0.00 0.00 56.93 58.50 3isx s PHE 155 Cb 0.00 -2.66 0.00 0.00 -1.31 0.00 0.00 43.02 39.05 3isx s PHE 155 CO 0.00 0.37 0.13 0.54 1.83 0.00 0.00 175.22 178.09 3isx s VAL 156 N -0.31 0.06 -0.04 3.12 0.11 0.27 -5.01 120.40 118.60 3isx s VAL 156 Ca 0.33 -0.48 -0.23 0.00 -2.93 0.00 0.00 61.98 58.67 3isx s VAL 156 Cb -0.19 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 3isx s VAL 156 CO 0.19 -0.27 0.67 -1.61 -3.33 0.00 0.00 175.10 170.75 3isx s GLU 157 N -0.93 4.41 -0.42 1.54 2.02 -1.26 -0.73 118.70 123.34 3isx s GLU 157 Ca -0.10 0.84 0.03 0.00 0.02 0.00 0.00 54.97 55.75 3isx s GLU 157 Cb -0.06 -3.41 0.12 0.00 0.10 0.00 0.00 34.13 30.88 3isx s GLU 157 CO 0.01 0.17 0.19 0.08 0.02 0.00 0.00 175.26 175.73 3isx s VAL 158 N 0.44 1.82 0.00 2.63 1.01 -0.12 -4.97 120.40 121.21 3isx s VAL 158 Ca 0.35 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.78 3isx s VAL 158 Cb -0.18 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3isx s VAL 158 CO 0.18 -0.78 0.00 -0.24 0.00 0.00 0.00 175.10 174.26 3isx n SER 159 N 3.76 0.00 -0.31 3.32 2.88 -1.26 -0.98 113.62 121.03 3isx n SER 159 Ca 0.05 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.71 3isx n SER 159 Cb 0.36 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.37 3isx n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3isx n GLY 160 N 0.00 -0.31 3.92 0.46 0.00 -1.26 -4.90 105.19 103.11 3isx n GLY 160 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 3isx n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3isx s LYS 161 N -1.93 3.55 -0.13 1.61 -0.14 -0.16 -4.39 119.74 118.16 3isx s LYS 161 Ca 0.35 -0.19 -0.03 0.00 -1.36 0.00 0.00 55.97 54.74 3isx s LYS 161 Cb 0.18 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 3isx s LYS 161 CO 0.29 0.22 -0.02 0.71 -0.76 0.00 0.00 175.35 175.79 3isx s TYR 162 N -2.13 3.08 -0.06 3.18 2.02 -0.57 -0.94 117.35 121.93 3isx s TYR 162 Ca 0.41 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 57.07 3isx s TYR 162 Cb -0.10 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 3isx s TYR 162 CO 0.32 0.17 -0.16 0.08 -1.57 0.00 0.00 175.55 174.39 3isx s VAL 163 N -0.11 1.40 0.39 0.71 1.01 0.10 -1.07 120.40 122.83 3isx s VAL 163 Ca 0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 3isx s VAL 163 Cb -0.13 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.07 3isx s VAL 163 CO 0.02 0.41 0.78 -0.55 0.00 0.00 0.00 175.10 175.76 3isx s SER 164 N 0.34 0.08 0.60 3.32 0.15 -0.54 -0.57 113.70 117.09 3isx s SER 164 Ca -0.11 -1.21 -0.13 0.00 0.70 0.00 0.00 55.95 55.21 3isx s SER 164 Cb -0.14 0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 3isx s SER 164 CO 0.04 -1.70 1.02 -1.59 1.20 0.00 0.00 173.24 172.21 3isx s LYS 165 N -2.20 3.58 -0.14 5.44 -2.85 -1.21 -0.95 119.74 121.40 3isx s LYS 165 Ca 0.17 0.85 -0.10 0.00 -1.00 0.00 0.00 55.97 55.89 3isx s LYS 165 Cb -0.05 -2.08 0.04 0.00 -2.06 0.00 0.00 37.83 33.68 3isx s LYS 165 CO 0.12 -0.58 0.19 0.00 0.10 0.00 0.00 175.35 175.18 3isx n ALA 166 N -2.48 -3.53 0.00 0.59 0.00 -1.26 -4.71 120.51 109.12 3isx n ALA 166 Ca 0.06 1.86 0.00 0.00 0.00 0.00 0.00 53.44 55.36 3isx n ALA 166 Cb 0.54 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.35 3isx n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3isx n ASP 168 N 1.31 0.00 -1.62 0.00 2.03 -1.26 -1.33 116.55 115.67 3isx n ASP 168 Ca -0.32 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 54.97 3isx n ASP 168 Cb 0.50 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.98 3isx n ASP 168 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3isx n ASP 169 N 0.32 2.13 0.24 1.67 2.03 -1.26 -4.75 116.55 116.94 3isx n ASP 169 Ca 0.00 -2.92 0.11 0.00 0.52 0.00 0.00 54.79 52.49 3isx n ASP 169 Cb 0.00 -0.41 0.62 0.00 -0.72 0.00 0.00 41.12 40.61 3isx n ASP 169 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3isx h ARG 170 N 1.57 0.00 -0.47 -0.67 2.47 -1.40 -1.43 114.38 114.47 3isx h ARG 170 Ca -0.02 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 3isx h ARG 170 Cb 1.43 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.73 3isx h ARG 170 CO 0.22 0.17 -0.09 0.97 0.56 0.00 0.00 179.97 181.81 3isx h ILE 171 N 0.00 1.26 -0.54 2.04 6.09 -1.94 -0.34 117.51 124.07 3isx h ILE 171 Ca -0.00 -1.17 -0.09 0.00 -1.37 0.00 0.00 64.86 62.23 3isx h ILE 171 Cb 0.45 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 3isx h ILE 171 CO 0.02 0.40 -0.02 1.23 -3.07 0.00 0.00 178.15 176.71 3isx h GLY 172 N 0.97 1.02 1.01 8.18 0.00 -1.55 -1.04 103.07 111.67 3isx h GLY 172 Ca 0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3isx h GLY 172 CO 0.04 0.68 0.46 0.00 0.00 0.00 0.00 176.54 177.72 3isx h ALA 174 N 1.25 0.84 -0.25 0.00 0.00 -0.68 -0.95 119.26 119.46 3isx h ALA 174 Ca 0.28 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3isx h ALA 174 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3isx h ALA 174 CO -0.05 0.62 0.07 0.28 0.00 0.00 0.00 179.25 180.17 3isx h VAL 175 N 0.97 0.92 -0.38 0.00 2.07 -0.82 -0.43 116.25 118.57 3isx h VAL 175 Ca 0.19 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3isx h VAL 175 Cb 0.46 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3isx h VAL 175 CO 0.02 0.03 0.16 0.40 0.02 0.00 0.00 177.57 178.20 3isx h ILE 176 N 0.18 1.19 -0.36 4.57 2.04 -1.03 -0.13 117.51 123.96 3isx h ILE 176 Ca 0.11 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.43 3isx h ILE 176 Cb 0.09 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3isx h ILE 176 CO -0.13 0.21 0.15 0.58 0.00 0.00 0.00 178.15 178.96 3isx h VAL 177 N 0.47 0.94 -0.82 1.67 2.07 -0.96 -0.81 116.25 118.79 3isx h VAL 177 Ca 0.13 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3isx h VAL 177 Cb 0.18 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3isx h VAL 177 CO -0.01 0.06 0.37 -0.08 0.02 0.00 0.00 177.57 177.93 3isx h GLU 178 N 0.32 1.20 -0.30 1.57 4.57 -0.75 -1.02 114.58 120.17 3isx h GLU 178 Ca 0.16 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3isx h GLU 178 Cb 0.11 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3isx h GLU 178 CO -0.14 0.94 0.18 0.28 -1.18 0.00 0.00 179.01 179.09 3isx h VAL 179 N 1.18 1.04 -0.40 0.32 2.07 -0.63 -1.73 116.25 118.10 3isx h VAL 179 Ca 0.28 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3isx h VAL 179 Cb 0.15 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3isx h VAL 179 CO -0.03 0.07 0.20 -0.26 0.02 0.00 0.00 177.57 177.56 3isx h PHE 180 N 0.37 0.54 -0.06 1.57 -1.00 -0.60 0.67 116.94 118.43 3isx h PHE 180 Ca 0.12 -0.01 -0.12 0.00 2.81 0.00 0.00 57.97 60.77 3isx h PHE 180 Cb -0.00 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.37 3isx h PHE 180 CO -0.07 0.40 -0.51 0.87 -1.61 0.00 0.00 178.31 177.38 3isx h LYS 181 N 0.56 0.17 0.00 1.51 1.57 -0.60 -3.34 116.57 116.44 3isx h LYS 181 Ca 0.14 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3isx h LYS 181 Cb 0.05 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3isx h LYS 181 CO -0.02 0.65 -2.12 0.54 -0.57 0.00 0.00 179.45 177.93 3isx n ARG 182 N -3.94 0.69 -3.05 3.15 5.12 -0.71 -5.00 116.66 112.92 3isx n ARG 182 Ca -0.02 -0.13 -0.35 0.00 -1.93 0.00 0.00 57.85 55.43 3isx n ARG 182 Cb 0.55 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 30.27 3isx n ARG 182 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3isx s ILE 183 N -3.12 4.54 -0.50 0.55 2.07 0.18 -5.01 121.20 119.91 3isx s ILE 183 Ca -0.09 1.27 -0.07 0.00 -1.41 0.00 0.00 60.65 60.36 3isx s ILE 183 Cb 0.11 -3.78 0.13 0.00 0.13 0.00 0.00 42.46 39.05 3isx s ILE 183 CO 0.86 0.04 0.34 -0.54 -1.91 0.00 0.00 174.94 173.73 3isx s LYS 184 N -2.39 2.42 0.33 3.50 3.01 -1.26 -4.97 119.74 120.38 3isx s LYS 184 Ca 0.49 -1.94 -0.27 0.00 -1.01 0.00 0.00 55.97 53.24 3isx s LYS 184 Cb -0.14 -3.83 -0.09 0.00 -1.01 0.00 0.00 37.83 32.75 3isx s LYS 184 CO 0.20 -1.16 1.02 -1.25 0.51 0.00 0.00 175.35 174.66 3isx s PRO 185 N 1.01 4.50 0.00 -1.68 0.04 -1.26 -4.26 135.00 133.34 3isx s PRO 185 Ca 0.09 1.53 0.26 0.00 0.04 0.00 0.00 61.00 62.92 3isx s PRO 185 Cb -0.23 -2.87 0.76 0.00 0.04 0.00 0.00 34.50 32.19 3isx s PRO 185 CO -0.03 0.16 1.57 0.00 0.04 0.00 0.00 177.00 178.74 3isx n ALA 186 N 0.63 3.13 -2.49 8.56 0.00 -0.44 -4.75 120.51 125.15 3isx n ALA 186 Ca 0.02 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 3isx n ALA 186 Cb 0.48 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 3isx n ALA 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3isx s VAL 187 N -2.61 2.09 -0.33 0.00 -7.23 -1.25 -4.28 120.40 106.79 3isx s VAL 187 Ca 0.22 -1.75 -0.22 0.00 -1.81 0.00 0.00 61.98 58.41 3isx s VAL 187 Cb 0.19 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3isx s VAL 187 CO 0.55 0.00 0.74 -0.89 -0.31 0.00 0.00 175.10 175.20 3isx s THR 188 N -2.66 4.81 -0.21 5.32 2.01 0.26 -3.36 115.64 121.81 3isx s THR 188 Ca 0.36 0.98 -0.09 0.00 0.31 0.00 0.00 61.69 63.24 3isx s THR 188 Cb 0.04 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 3isx s THR 188 CO 0.20 -0.29 0.12 -0.22 -0.69 0.00 0.00 174.62 173.74 3isx s LEU 189 N 2.91 4.03 -0.16 4.42 2.96 -0.13 -1.51 118.68 131.21 3isx s LEU 189 Ca 0.30 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 3isx s LEU 189 Cb -0.14 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3isx s LEU 189 CO 0.14 0.13 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.91 3isx s TYR 190 N 0.64 2.91 -0.25 5.38 2.02 0.24 -1.11 117.35 127.19 3isx s TYR 190 Ca 0.06 -0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 56.09 3isx s TYR 190 Cb -0.12 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 3isx s TYR 190 CO 0.01 -0.23 0.07 0.20 -1.57 0.00 0.00 175.55 174.02 3isx s GLY 191 N 0.61 1.76 -0.19 0.71 0.00 -0.07 -0.42 107.32 109.73 3isx s GLY 191 Ca -0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 44.72 43.51 3isx s GLY 191 CO 0.03 0.53 -0.06 0.14 0.00 0.00 0.00 173.10 173.74 3isx s VAL 192 N 1.61 3.43 -0.51 1.40 1.01 0.70 -0.64 120.40 127.41 3isx s VAL 192 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3isx s VAL 192 Cb -0.15 -2.53 0.13 0.00 0.00 0.00 0.00 36.38 33.84 3isx s VAL 192 CO 0.03 0.46 0.31 -0.36 0.00 0.00 0.00 175.10 175.54 3isx s PHE 193 N 1.02 3.50 0.16 5.22 0.08 0.39 -1.43 117.98 126.93 3isx s PHE 193 Ca 0.00 -2.55 0.03 0.00 0.12 0.00 0.00 56.93 54.54 3isx s PHE 193 Cb -0.15 -3.22 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 3isx s PHE 193 CO 0.00 -0.91 0.28 -1.54 -0.10 0.00 0.00 175.22 172.94 3isx s SER 194 N 1.32 6.24 0.07 1.36 1.04 -0.01 -1.52 113.70 122.19 3isx s SER 194 Ca 0.12 0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.49 3isx s SER 194 Cb -0.22 -1.84 -0.07 0.00 0.10 0.00 0.00 66.02 63.99 3isx s SER 194 CO -0.04 0.04 0.54 0.68 0.98 0.00 0.00 173.24 175.43 3isx s VAL 195 N -1.78 4.81 0.65 5.02 -7.23 -1.26 -0.29 120.40 120.31 3isx s VAL 195 Ca 0.34 1.10 -0.15 0.00 -1.81 0.00 0.00 61.98 61.46 3isx s VAL 195 Cb -0.11 -3.84 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 3isx s VAL 195 CO 0.28 0.52 1.12 -1.10 -0.31 0.00 0.00 175.10 175.61 3isx s GLN 196 N -1.20 2.84 -0.37 4.82 -0.21 -1.26 -4.97 119.66 119.31 3isx s GLN 196 Ca 0.29 1.43 -0.14 0.00 0.02 0.00 0.00 55.36 56.96 3isx s GLN 196 Cb -0.18 -1.95 -0.00 0.00 1.00 0.00 0.00 33.01 31.87 3isx s GLN 196 CO 0.18 -1.22 0.26 -1.21 -2.12 0.00 0.00 175.29 171.18 3isx s GLU 197 N -4.00 3.30 0.27 2.91 2.02 -1.26 -5.05 118.70 116.90 3isx s GLU 197 Ca 0.68 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 3isx s GLU 197 Cb -0.21 -3.87 -0.10 0.00 0.10 0.00 0.00 34.13 30.05 3isx s GLU 197 CO 0.40 -0.56 1.41 -1.21 0.02 0.00 0.00 175.26 175.33 3isx s GLU 198 N 1.70 4.28 0.08 1.61 2.02 -1.26 -4.94 118.70 122.19 3isx s GLU 198 Ca 0.06 2.30 -0.31 0.00 0.02 0.00 0.00 54.97 57.04 3isx s GLU 198 Cb -0.18 -3.09 -0.09 0.00 0.10 0.00 0.00 34.13 30.87 3isx s GLU 198 CO 0.10 -0.38 1.78 0.08 0.02 0.00 0.00 175.26 176.87 3isx s VAL 199 N -0.32 2.84 0.00 2.63 1.01 -1.26 -1.46 120.40 123.84 3isx s VAL 199 Ca 0.57 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3isx s VAL 199 Cb -0.42 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3isx s VAL 199 CO 0.47 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3isx n GLY 200 N 4.20 0.59 3.58 4.51 0.00 -1.26 -5.09 105.19 111.71 3isx n GLY 200 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3isx n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3isx s LEU 201 N 0.00 2.98 -0.11 0.99 1.43 -0.54 -5.10 118.68 118.33 3isx s LEU 201 Ca 0.00 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 3isx s LEU 201 Cb 0.00 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 3isx s LEU 201 CO 0.00 0.02 0.97 -0.69 0.23 0.00 0.00 176.35 176.87 3isx s VAL 202 N -2.38 4.81 0.56 -1.59 1.01 -1.26 -4.80 120.40 116.74 3isx s VAL 202 Ca 0.31 1.96 0.07 0.00 0.00 0.00 0.00 61.98 64.32 3isx s VAL 202 Cb -0.06 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 32.12 3isx s VAL 202 CO 0.18 0.03 0.58 0.61 0.00 0.00 0.00 175.10 176.50 3isx n GLY 203 N 3.14 2.38 0.07 4.51 0.00 -1.26 -4.99 105.19 109.04 3isx n GLY 203 Ca 0.07 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.88 3isx n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isx n ALA 204 N -2.09 3.33 -0.08 4.61 0.00 -1.26 -4.67 120.51 120.35 3isx n ALA 204 Ca -0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 52.88 3isx n ALA 204 Cb 0.61 -0.41 0.15 0.00 0.00 0.00 0.00 19.45 19.80 3isx n ALA 204 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3isx h SER 205 N 0.32 0.72 -0.90 0.00 4.64 -1.96 -0.39 113.55 115.98 3isx h SER 205 Ca 0.00 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3isx h SER 205 Cb 0.30 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 3isx h SER 205 CO 0.00 0.85 0.49 0.58 -0.87 0.00 0.00 176.83 177.88 3isx h VAL 206 N 0.67 1.26 -0.08 0.95 2.07 -2.03 -0.40 116.25 118.69 3isx h VAL 206 Ca 0.12 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3isx h VAL 206 Cb 0.56 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3isx h VAL 206 CO 0.03 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.92 3isx n ALA 207 N -2.41 2.50 -2.02 1.67 0.00 -1.09 -4.54 120.51 114.63 3isx n ALA 207 Ca 0.10 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 3isx n ALA 207 Cb 0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3isx n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3isx n GLY 208 N 0.59 0.29 2.43 0.00 0.00 -0.16 -2.46 105.19 105.88 3isx n GLY 208 Ca 0.03 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3isx n GLY 208 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3isx n TYR 209 N -3.58 -0.81 -0.99 1.61 4.01 -0.18 -0.58 117.16 116.65 3isx n TYR 209 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3isx n TYR 209 Cb 0.59 -3.66 0.00 0.00 -0.31 0.00 0.00 39.34 35.96 3isx n TYR 209 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3isx n GLY 210 N -0.82 0.54 3.70 2.72 0.00 -1.03 -5.02 105.19 105.30 3isx n GLY 210 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3isx n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3isx s VAL 211 N -2.29 5.23 -1.44 1.61 1.01 0.26 -4.99 120.40 119.79 3isx s VAL 211 Ca 0.00 0.74 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 3isx s VAL 211 Cb 0.00 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3isx s VAL 211 CO 0.00 0.32 2.29 -0.81 0.00 0.00 0.00 175.10 176.89 3isx n PRO 212 N 3.96 3.33 -2.49 2.72 -0.04 -1.26 -4.66 135.00 136.55 3isx n PRO 212 Ca -0.09 -2.82 -0.32 0.00 -0.04 0.00 0.00 63.50 60.23 3isx n PRO 212 Cb 0.51 -3.06 -0.04 0.00 -0.04 0.00 0.00 33.50 30.87 3isx n PRO 212 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3isx s ALA 213 N 1.99 3.10 -0.09 0.55 0.00 -1.26 -4.86 121.76 121.19 3isx s ALA 213 Ca 0.50 0.16 0.15 0.00 0.00 0.00 0.00 51.96 52.77 3isx s ALA 213 Cb 0.14 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 20.06 3isx s ALA 213 CO -0.06 -0.17 0.95 -0.44 0.00 0.00 0.00 175.76 176.04 3isx h ASP 214 N 1.06 0.00 -4.92 0.00 3.32 -0.99 -3.47 116.42 111.43 3isx h ASP 214 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 3isx h ASP 214 Cb 1.18 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 3isx h ASP 214 CO 0.62 0.67 -0.29 -1.61 -1.72 0.00 0.00 179.24 176.91 3isx s GLU 215 N -2.86 0.64 -0.06 3.56 2.02 -1.06 -4.15 118.70 116.80 3isx s GLU 215 Ca -0.02 -0.16 -0.01 0.00 0.02 0.00 0.00 54.97 54.81 3isx s GLU 215 Cb 0.08 0.29 0.03 0.00 0.10 0.00 0.00 34.13 34.63 3isx s GLU 215 CO 0.80 -0.17 -0.00 0.00 0.02 0.00 0.00 175.26 175.91 3isx s ALA 216 N -1.24 0.61 -0.21 5.21 0.00 -0.06 -1.00 121.76 125.07 3isx s ALA 216 Ca -0.13 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3isx s ALA 216 Cb -0.05 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.48 3isx s ALA 216 CO 0.04 -0.32 -0.15 0.42 0.00 0.00 0.00 175.76 175.74 3isx s ILE 217 N 1.66 2.26 0.12 0.00 1.01 0.57 -1.84 121.20 124.98 3isx s ILE 217 Ca -0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 3isx s ILE 217 Cb -0.13 -2.07 -0.06 0.00 0.01 0.00 0.00 42.46 40.21 3isx s ILE 217 CO -0.04 0.35 0.93 0.00 0.00 0.00 0.00 174.94 176.19 3isx s ALA 218 N 1.26 3.27 -0.36 9.38 0.00 -0.22 -1.38 121.76 133.71 3isx s ALA 218 Ca 0.01 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 3isx s ALA 218 Cb -0.15 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.81 3isx s ALA 218 CO -0.09 0.02 0.12 0.42 0.00 0.00 0.00 175.76 176.22 3isx s ILE 219 N -0.17 3.24 0.37 0.00 -1.09 0.26 -0.65 121.20 123.17 3isx s ILE 219 Ca 0.45 -1.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.18 3isx s ILE 219 Cb -0.23 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 3isx s ILE 219 CO 0.29 -0.43 0.07 0.47 -1.23 0.00 0.00 174.94 174.12 3isx n ASP 220 N 4.63 1.99 -4.86 3.58 8.00 -0.68 -4.34 116.55 124.88 3isx n ASP 220 Ca -0.07 -2.81 -0.26 0.00 0.71 0.00 0.00 54.79 52.36 3isx n ASP 220 Cb 0.42 0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 42.10 3isx n ASP 220 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3isx s VAL 221 N -2.69 4.83 0.04 2.53 -7.23 -1.26 -0.53 120.40 116.09 3isx s VAL 221 Ca 0.10 -0.92 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 3isx s VAL 221 Cb 0.00 -3.48 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 3isx s VAL 221 CO 0.07 -0.10 -0.10 0.28 -0.31 0.00 0.00 175.10 174.93 3isx s THR 222 N -1.75 0.78 0.17 5.32 -1.32 -0.67 -4.78 115.64 113.39 3isx s THR 222 Ca 0.32 -1.02 -0.32 0.00 -1.21 0.00 0.00 61.69 59.47 3isx s THR 222 Cb -0.10 -0.78 -0.11 0.00 -1.51 0.00 0.00 72.50 70.01 3isx s THR 222 CO 0.25 -0.21 1.63 -1.81 -2.21 0.00 0.00 174.62 172.28 3isx s ASP 223 N -1.36 6.52 -0.54 8.08 1.01 -1.26 -0.69 116.67 128.42 3isx s ASP 223 Ca -0.04 2.69 -0.22 0.00 0.71 0.00 0.00 52.55 55.69 3isx s ASP 223 Cb -0.09 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.30 3isx s ASP 223 CO 0.01 -0.88 0.81 -0.55 0.21 0.00 0.00 175.17 174.77 3isx s SER 224 N 1.27 6.27 -1.19 0.27 0.15 0.07 -4.71 113.70 115.84 3isx s SER 224 Ca 0.72 -0.66 -0.04 0.00 0.70 0.00 0.00 55.95 56.68 3isx s SER 224 Cb -0.45 -2.37 0.20 0.00 -1.71 0.00 0.00 66.02 61.69 3isx s SER 224 CO 0.32 -1.11 2.16 0.00 1.20 0.00 0.00 173.24 175.81 3isx n ALA 225 N 6.94 6.51 -1.97 5.45 0.00 -1.26 -4.49 120.51 131.68 3isx n ALA 225 Ca -0.02 -4.29 0.05 0.00 0.00 0.00 0.00 53.44 49.18 3isx n ALA 225 Cb 0.46 -2.52 0.11 0.00 0.00 0.00 0.00 19.45 17.50 3isx n ALA 225 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3isx n ASP 226 N 0.95 1.32 -4.95 0.00 5.75 -1.25 -4.54 116.55 113.83 3isx n ASP 226 Ca 0.56 -2.88 -0.19 0.00 -0.01 0.00 0.00 54.79 52.27 3isx n ASP 226 Cb 0.26 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 39.94 3isx n ASP 226 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3isx s THR 227 N -1.58 2.98 0.27 2.12 -4.23 -1.25 -5.03 115.64 108.93 3isx s THR 227 Ca 0.33 -1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 3isx s THR 227 Cb 0.34 -3.04 -0.13 0.00 1.34 0.00 0.00 72.50 71.01 3isx s THR 227 CO -0.10 -0.02 1.39 -2.65 -0.54 0.00 0.00 174.62 172.70 3isx n PRO 228 N -1.70 2.13 0.00 3.99 -0.02 -1.26 -2.36 135.00 135.78 3isx n PRO 228 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3isx n PRO 228 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3isx n PRO 228 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3isx n LYS 229 N 1.65 0.00 -2.34 -0.52 5.02 -1.26 -4.78 118.16 115.93 3isx n LYS 229 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 3isx n LYS 229 Cb 0.33 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 3isx n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3isx n ALA 230 N 0.64 5.31 -3.89 7.82 0.00 -0.99 -4.82 120.51 124.57 3isx n ALA 230 Ca 0.00 -4.29 -0.30 0.00 0.00 0.00 0.00 53.44 48.84 3isx n ALA 230 Cb 0.00 -3.01 -0.15 0.00 0.00 0.00 0.00 19.45 16.29 3isx n ALA 230 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3isx s ILE 231 N 0.57 1.72 0.12 0.00 -5.25 -1.26 -3.89 121.20 113.19 3isx s ILE 231 Ca 0.40 -2.09 0.07 0.00 -0.99 0.00 0.00 60.65 58.05 3isx s ILE 231 Cb 0.09 -2.27 -0.04 0.00 2.95 0.00 0.00 42.46 43.20 3isx s ILE 231 CO 0.00 -0.67 -0.18 -0.54 -1.79 0.00 0.00 174.94 171.77 3isx s LYS 232 N 1.03 1.09 0.69 0.37 1.02 -1.26 -5.12 119.74 117.55 3isx s LYS 232 Ca 0.12 -1.20 -0.16 0.00 0.02 0.00 0.00 55.97 54.74 3isx s LYS 232 Cb -0.19 -1.19 0.02 0.00 -0.52 0.00 0.00 37.83 35.95 3isx s LYS 232 CO -0.13 0.26 1.21 1.03 -0.92 0.00 0.00 175.35 176.80 3isx s ARG 233 N -2.24 2.40 -1.26 1.68 0.52 -1.26 -2.99 118.95 115.81 3isx s ARG 233 Ca 0.08 1.78 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 3isx s ARG 233 Cb -0.08 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.53 3isx s ARG 233 CO 0.04 -1.64 0.00 0.72 0.02 0.00 0.00 175.30 174.44 3isx n HIS 234 N -2.38 0.00 0.00 -0.53 8.25 -1.26 -5.23 115.22 114.07 3isx n HIS 234 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3isx n HIS 234 Cb 0.50 -2.35 0.00 0.00 1.12 0.00 0.00 29.99 29.26 3isx n HIS 234 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3isx n ALA 235 N 1.22 0.00 0.00 -1.41 0.00 -1.16 -4.96 120.51 114.20 3isx n ALA 235 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3isx n ALA 235 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3isx n ALA 235 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3isx n ARG 237 N 0.00 0.00 -1.71 0.00 1.85 -1.26 -4.92 116.66 110.61 3isx n ARG 237 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 3isx n ARG 237 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 3isx n ARG 237 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3isx n LEU 238 N 0.00 4.35 0.00 2.89 4.77 -1.26 -2.21 117.00 125.54 3isx n LEU 238 Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3isx n LEU 238 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 3isx n LEU 238 CO 0.00 -0.62 0.00 -1.20 -1.33 0.00 0.00 177.39 174.24 3isx n SER 239 N -0.04 -4.37 -0.35 -1.43 7.64 -1.26 -4.86 113.62 108.94 3isx n SER 239 Ca 0.07 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.09 3isx n SER 239 Cb 0.41 -2.16 0.52 0.00 -1.01 0.00 0.00 64.21 61.96 3isx n SER 239 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3isx n GLY 240 N -0.80 -0.32 0.00 0.23 0.00 -0.94 -4.96 105.19 98.39 3isx n GLY 240 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3isx n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3isx n GLY 241 N 1.22 0.10 3.67 -0.02 0.00 -1.26 -2.88 105.19 106.02 3isx n GLY 241 Ca 0.17 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 3isx n GLY 241 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3isx n PRO 242 N 0.14 1.88 -3.30 1.61 -0.04 -1.25 -4.41 135.00 129.64 3isx n PRO 242 Ca 0.00 0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 63.73 3isx n PRO 242 Cb 0.00 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 3isx n PRO 242 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3isx s ALA 243 N -1.12 3.55 -0.10 0.55 0.00 -0.13 -0.98 121.76 123.52 3isx s ALA 243 Ca 0.57 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.09 3isx s ALA 243 Cb -0.59 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3isx s ALA 243 CO 0.61 -0.40 -0.12 -0.51 0.00 0.00 0.00 175.76 175.34 3isx s LEU 244 N 1.53 2.79 0.34 0.00 1.43 0.58 -0.74 118.68 124.61 3isx s LEU 244 Ca 0.22 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 3isx s LEU 244 Cb -0.15 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.49 3isx s LEU 244 CO 0.09 0.24 0.68 -1.59 0.23 0.00 0.00 176.35 176.01 3isx s LYS 245 N -0.10 2.01 0.41 1.70 -2.85 -0.62 -1.71 119.74 118.57 3isx s LYS 245 Ca -0.01 -1.38 0.04 0.00 -1.00 0.00 0.00 55.97 53.62 3isx s LYS 245 Cb -0.14 0.57 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 3isx s LYS 245 CO 0.03 -0.91 0.13 0.14 0.10 0.00 0.00 175.35 174.85 3isx s VAL 246 N -2.98 0.60 0.58 1.79 -7.23 -1.26 -0.97 120.40 110.93 3isx s VAL 246 Ca 0.18 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.17 3isx s VAL 246 Cb -0.04 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 3isx s VAL 246 CO 0.12 0.00 1.14 -0.54 -0.31 0.00 0.00 175.10 175.51 3isx s LYS 247 N -3.71 3.14 0.43 4.82 1.02 -1.26 -2.13 119.74 122.04 3isx s LYS 247 Ca 0.24 1.61 -0.25 0.00 0.02 0.00 0.00 55.97 57.58 3isx s LYS 247 Cb 0.03 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 3isx s LYS 247 CO 0.15 -1.02 1.32 -3.47 -0.92 0.00 0.00 175.35 171.41 3isx n ASP 248 N -1.62 2.79 -2.29 2.83 2.03 -0.30 -2.14 116.55 117.85 3isx n ASP 248 Ca 0.12 1.12 -0.20 0.00 0.52 0.00 0.00 54.79 56.34 3isx n ASP 248 Cb 0.51 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.37 3isx n ASP 248 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3isx n ARG 249 N -0.01 -1.62 -1.13 -0.67 1.74 -1.26 -4.88 116.66 108.83 3isx n ARG 249 Ca 0.06 0.99 -0.33 0.00 -0.77 0.00 0.00 57.85 57.81 3isx n ARG 249 Cb 0.40 -5.62 0.12 0.00 -1.02 0.00 0.00 32.46 26.35 3isx n ARG 249 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3isx s ALA 250 N -3.01 1.88 0.89 7.54 0.00 -0.91 -4.82 121.76 123.34 3isx s ALA 250 Ca 0.00 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 3isx s ALA 250 Cb 0.00 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.80 3isx s ALA 250 CO 0.00 -2.21 1.09 -1.54 0.00 0.00 0.00 175.76 173.10 3isx s SER 251 N -2.41 3.56 0.25 0.00 1.04 -1.26 -4.80 113.70 110.09 3isx s SER 251 Ca 0.70 1.50 -0.04 0.00 0.48 0.00 0.00 55.95 58.60 3isx s SER 251 Cb -0.26 -2.18 0.39 0.00 0.10 0.00 0.00 66.02 64.08 3isx s SER 251 CO 0.51 -2.59 1.84 0.40 0.98 0.00 0.00 173.24 174.39 3isx h ILE 252 N -1.51 1.00 -0.29 -1.02 2.04 -1.94 -0.38 117.51 115.40 3isx h ILE 252 Ca -0.49 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 64.90 3isx h ILE 252 Cb 1.28 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3isx h ILE 252 CO 0.54 0.18 -0.38 0.28 0.00 0.00 0.00 178.15 178.77 3isx h SER 253 N 0.96 0.70 -0.31 1.72 0.02 -1.98 -0.72 113.55 113.94 3isx h SER 253 Ca 0.41 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3isx h SER 253 Cb 0.27 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3isx h SER 253 CO -0.21 1.01 -0.12 0.28 -1.14 0.00 0.00 176.83 176.65 3isx h SER 254 N 0.55 0.64 -0.20 3.07 0.02 -1.70 -2.80 113.55 113.14 3isx h SER 254 Ca 0.05 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3isx h SER 254 Cb 0.90 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3isx h SER 254 CO 0.08 0.89 0.12 0.11 -1.14 0.00 0.00 176.83 176.89 3isx h LYS 255 N 0.39 0.28 -0.50 3.45 1.57 -0.84 -1.62 116.57 119.29 3isx h LYS 255 Ca 0.07 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3isx h LYS 255 Cb 0.63 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3isx h LYS 255 CO 0.04 0.19 0.11 -0.09 -0.57 0.00 0.00 179.45 179.13 3isx h ARG 256 N 0.28 0.77 -0.12 3.15 9.65 -0.87 -0.44 114.38 126.81 3isx h ARG 256 Ca 0.08 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 3isx h ARG 256 Cb -0.01 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3isx h ARG 256 CO -0.01 0.71 0.05 0.82 2.80 0.00 0.00 179.97 184.33 3isx h ILE 257 N 0.75 1.15 -0.40 1.20 2.04 -1.10 -0.40 117.51 120.74 3isx h ILE 257 Ca 0.16 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3isx h ILE 257 Cb 0.30 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3isx h ILE 257 CO 0.00 0.13 0.12 0.25 0.00 0.00 0.00 178.15 178.66 3isx h LEU 258 N 0.03 0.11 -0.94 1.44 5.85 -1.23 -0.14 115.31 120.43 3isx h LEU 258 Ca 0.04 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3isx h LEU 258 Cb 0.17 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3isx h LEU 258 CO -0.00 0.10 0.60 -0.08 -0.34 0.00 0.00 178.44 178.72 3isx h GLU 259 N 0.27 1.09 -0.22 1.25 4.81 -0.87 -0.49 114.58 120.42 3isx h GLU 259 Ca 0.19 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 3isx h GLU 259 Cb 0.19 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3isx h GLU 259 CO -0.21 0.72 -0.53 -0.91 -0.73 0.00 0.00 179.01 177.34 3isx h ASN 260 N 1.12 0.72 -0.38 1.04 2.35 -0.58 -0.85 115.58 118.99 3isx h ASN 260 Ca 0.40 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3isx h ASN 260 Cb 0.12 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3isx h ASN 260 CO -0.16 1.11 0.05 -0.07 -1.65 0.00 0.00 177.43 176.72 3isx h LEU 261 N 0.50 0.62 -0.49 1.61 3.38 -0.65 -1.29 115.31 118.99 3isx h LEU 261 Ca 0.01 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3isx h LEU 261 Cb 1.09 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 3isx h LEU 261 CO 0.11 0.73 0.22 0.40 0.09 0.00 0.00 178.44 179.98 3isx h ILE 262 N 0.48 0.91 -0.47 1.22 2.04 -0.95 -0.56 117.51 120.17 3isx h ILE 262 Ca 0.12 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3isx h ILE 262 Cb 0.38 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3isx h ILE 262 CO 0.01 0.08 0.29 -0.08 0.00 0.00 0.00 178.15 178.45 3isx h GLU 263 N 0.43 0.64 -0.33 2.37 4.81 -0.90 -0.54 114.58 121.06 3isx h GLU 263 Ca 0.23 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3isx h GLU 263 Cb 0.18 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3isx h GLU 263 CO -0.19 0.46 0.17 0.82 -0.73 0.00 0.00 179.01 179.55 3isx h ILE 264 N 0.63 1.00 -0.79 2.32 1.08 -0.90 -0.38 117.51 120.48 3isx h ILE 264 Ca 0.17 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 3isx h ILE 264 Cb -0.02 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 3isx h ILE 264 CO -0.03 0.07 0.52 0.00 -0.69 0.00 0.00 178.15 178.01 3isx h ALA 265 N 1.16 1.00 -0.40 1.87 0.00 -0.72 -1.49 119.26 120.69 3isx h ALA 265 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3isx h ALA 265 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3isx h ALA 265 CO -0.09 0.42 0.07 0.93 0.00 0.00 0.00 179.25 180.58 3isx h GLU 266 N 1.07 0.65 0.00 0.00 4.39 -0.85 0.26 114.58 120.11 3isx h GLU 266 Ca 0.29 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 3isx h GLU 266 Cb -0.11 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 3isx h GLU 266 CO -0.06 0.70 -0.29 0.87 -1.16 0.00 0.00 179.01 179.07 3isx h LYS 267 N 0.50 0.00 -0.27 2.33 1.57 -0.75 -2.98 116.57 116.97 3isx h LYS 267 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3isx h LYS 267 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3isx h LYS 267 CO 0.01 0.29 0.00 1.19 -0.57 0.00 0.00 179.45 180.36 3isx n PHE 268 N -3.93 0.48 -3.73 -1.35 3.72 -0.59 -5.00 117.46 107.06 3isx n PHE 268 Ca -0.02 -0.59 -0.22 0.00 -0.05 0.00 0.00 57.45 56.57 3isx n PHE 268 Cb 0.36 -0.09 0.03 0.00 -0.94 0.00 0.00 39.48 38.84 3isx n PHE 268 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3isx n ASP 269 N 0.10 -1.46 -4.63 4.37 2.03 -0.41 -4.97 116.55 111.58 3isx n ASP 269 Ca 0.12 -0.82 -0.36 0.00 0.52 0.00 0.00 54.79 54.25 3isx n ASP 269 Cb 0.50 -4.00 -0.10 0.00 -0.72 0.00 0.00 41.12 36.80 3isx n ASP 269 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3isx s ILE 270 N -3.65 5.06 0.48 5.18 1.01 -0.05 -5.05 121.20 124.17 3isx s ILE 270 Ca 0.06 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 3isx s ILE 270 Cb -0.03 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.04 3isx s ILE 270 CO 0.82 0.39 1.40 -0.54 0.00 0.00 0.00 174.94 177.01 3isx s LYS 271 N 0.84 3.53 0.16 2.79 1.02 -1.26 -4.58 119.74 122.25 3isx s LYS 271 Ca 0.06 2.36 -0.20 0.00 0.02 0.00 0.00 55.97 58.20 3isx s LYS 271 Cb -0.13 -2.54 0.05 0.00 -0.52 0.00 0.00 37.83 34.69 3isx s LYS 271 CO 0.03 -0.92 0.54 1.52 -0.92 0.00 0.00 175.35 175.60 3isx s TYR 272 N -1.23 -0.38 0.00 3.18 1.13 -1.14 -3.75 117.35 115.16 3isx s TYR 272 Ca 0.64 0.11 0.00 0.00 -1.41 0.00 0.00 57.07 56.41 3isx s TYR 272 Cb -0.43 0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 3isx s TYR 272 CO 0.53 -0.84 0.00 1.04 -2.51 0.00 0.00 175.55 173.78 3isx n GLN 273 N -0.34 1.48 -3.60 -3.49 6.02 -0.16 -4.80 117.38 112.49 3isx n GLN 273 Ca -0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.73 3isx n GLN 273 Cb 0.64 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.84 3isx n GLN 273 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3isx s GLU 275 N 4.34 0.63 0.46 -1.09 2.12 -0.69 -0.31 118.70 124.16 3isx s GLU 275 Ca 0.00 0.39 -0.24 0.00 0.36 0.00 0.00 54.97 55.48 3isx s GLU 275 Cb 0.00 0.30 -0.09 0.00 0.26 0.00 0.00 34.13 34.60 3isx s GLU 275 CO 0.00 -0.15 1.11 1.33 -0.54 0.00 0.00 175.26 177.00 3isx n VAL 276 N 1.44 2.75 -2.12 3.70 0.24 -1.26 -4.66 118.33 118.42 3isx n VAL 276 Ca -0.12 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.33 3isx n VAL 276 Cb 0.57 -1.32 0.01 0.00 -1.47 0.00 0.00 33.84 31.64 3isx n VAL 276 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3isx s LEU 277 N -1.30 3.65 0.04 1.34 1.43 -1.26 -4.90 118.68 117.68 3isx s LEU 277 Ca 0.65 2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 55.56 3isx s LEU 277 Cb -0.51 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.07 3isx s LEU 277 CO 0.55 -1.32 1.58 -0.89 0.23 0.00 0.00 176.35 176.50 3isx s THR 278 N -1.94 3.28 0.22 5.49 2.01 -0.91 -4.56 115.64 119.23 3isx s THR 278 Ca 0.71 0.68 -0.30 0.00 0.31 0.00 0.00 61.69 63.09 3isx s THR 278 Cb -0.23 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 3isx s THR 278 CO 0.31 -0.01 1.16 0.12 -0.69 0.00 0.00 174.62 175.51 3isx s PHE 279 N 2.71 3.48 0.00 4.92 5.36 -1.26 -1.15 117.98 132.04 3isx s PHE 279 Ca 0.71 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 58.25 3isx s PHE 279 Cb -0.37 -3.37 0.05 0.00 -0.34 0.00 0.00 43.02 38.99 3isx s PHE 279 CO 0.30 -0.94 0.98 0.41 -1.46 0.00 0.00 175.22 174.51 3isx n GLY 280 N 1.80 0.60 4.25 13.12 0.00 -1.26 -4.95 105.19 118.75 3isx n GLY 280 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3isx n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3isx n GLY 281 N 0.06 -1.92 0.21 -0.02 0.00 -1.26 -4.78 105.19 97.48 3isx n GLY 281 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3isx n GLY 281 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3isx n THR 282 N 0.00 0.08 -2.92 2.61 -2.24 -1.26 -5.01 114.28 105.54 3isx n THR 282 Ca 0.00 -0.09 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 3isx n THR 282 Cb 0.00 0.74 0.07 0.00 -2.10 0.00 0.00 70.33 69.04 3isx n THR 282 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3isx s ASN 283 N -0.53 4.94 0.00 3.42 2.20 -1.26 -4.98 114.94 118.73 3isx s ASN 283 Ca 0.01 -0.71 0.00 0.00 -0.94 0.00 0.00 52.86 51.22 3isx s ASN 283 Cb 0.01 0.18 0.00 0.00 -2.00 0.00 0.00 41.25 39.43 3isx s ASN 283 CO 0.00 -1.44 0.56 0.00 -2.94 0.00 0.00 177.10 173.28 3isx n ALA 284 N -2.37 2.12 0.00 3.54 0.00 -1.26 -2.56 120.51 119.98 3isx n ALA 284 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3isx n ALA 284 Cb 0.61 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3isx n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3isx n GLY 286 N 1.04 0.00 0.19 0.00 0.00 -1.26 -1.97 105.19 103.18 3isx n GLY 286 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3isx n GLY 286 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3isx h TYR 287 N 0.00 0.59 -0.17 1.61 3.20 -1.85 -3.04 116.97 117.30 3isx h TYR 287 Ca 0.00 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.84 3isx h TYR 287 Cb 0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3isx h TYR 287 CO 0.00 0.51 0.10 0.37 -1.64 0.00 0.00 178.16 177.50 3isx h GLN 288 N 0.49 0.20 -0.76 1.82 4.15 -1.70 -3.13 115.11 116.18 3isx h GLN 288 Ca 0.13 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.65 3isx h GLN 288 Cb 0.17 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 3isx h GLN 288 CO -0.01 0.13 0.50 0.00 -1.93 0.00 0.00 178.83 177.52 3isx h ARG 289 N 0.20 0.60 0.00 1.69 3.08 -1.81 -1.04 114.38 117.11 3isx h ARG 289 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3isx h ARG 289 Cb -0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3isx h ARG 289 CO -0.03 0.40 0.00 1.79 -1.07 0.00 0.00 179.97 181.05 3isx h THR 290 N 0.62 0.00 -0.52 2.04 1.35 -1.47 -3.28 112.91 111.64 3isx h THR 290 Ca 0.36 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3isx h THR 290 Cb 0.56 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3isx h THR 290 CO -0.13 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.68 3isx n ARG 291 N -2.43 2.57 -4.64 4.72 1.74 -0.41 -4.02 116.66 114.20 3isx n ARG 291 Ca 0.04 -2.39 -0.29 0.00 -0.77 0.00 0.00 57.85 54.43 3isx n ARG 291 Cb 0.36 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 3isx n ARG 291 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3isx s GLU 292 N -1.22 2.05 2.36 5.56 -1.05 -1.13 -5.06 118.70 120.21 3isx s GLU 292 Ca 0.41 -2.27 0.00 0.00 -0.15 0.00 0.00 54.97 52.96 3isx s GLU 292 Cb 0.22 -1.18 0.00 0.00 -0.44 0.00 0.00 34.13 32.74 3isx s GLU 292 CO 0.30 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.56 3isx n GLY 293 N -1.08 -0.86 3.77 -3.83 0.00 -1.26 -4.83 105.19 97.11 3isx n GLY 293 Ca -0.12 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 3isx n GLY 293 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3isx s ILE 294 N 0.00 5.24 0.18 -0.61 1.01 -1.26 -5.03 121.20 120.73 3isx s ILE 294 Ca 0.00 0.65 -0.33 0.00 0.00 0.00 0.00 60.65 60.97 3isx s ILE 294 Cb 0.00 -3.65 -0.15 0.00 0.01 0.00 0.00 42.46 38.67 3isx s ILE 294 CO 0.00 0.46 1.33 -2.65 0.00 0.00 0.00 174.94 174.08 3isx n PRO 295 N 2.92 1.61 -3.93 2.79 -0.02 -1.26 -4.75 135.00 132.36 3isx n PRO 295 Ca -0.13 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 61.84 3isx n PRO 295 Cb 0.52 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 3isx n PRO 295 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3isx s SER 296 N 0.29 0.19 0.21 2.55 1.04 -1.26 -0.88 113.70 115.83 3isx s SER 296 Ca 0.73 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.55 3isx s SER 296 Cb -0.77 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.56 3isx s SER 296 CO 0.49 -0.50 0.30 0.00 0.98 0.00 0.00 173.24 174.51 3isx s ALA 297 N -2.58 0.35 -0.03 5.32 0.00 -0.77 -4.71 121.76 119.34 3isx s ALA 297 Ca -0.05 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.75 3isx s ALA 297 Cb -0.01 1.14 -0.00 0.00 0.00 0.00 0.00 23.12 24.24 3isx s ALA 297 CO -0.04 -0.71 -0.14 0.99 0.00 0.00 0.00 175.76 175.86 3isx s THR 298 N -4.06 1.15 -0.15 0.00 2.01 -0.15 -1.05 115.64 113.40 3isx s THR 298 Ca 0.27 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.73 3isx s THR 298 Cb 0.03 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.55 3isx s THR 298 CO 0.08 0.34 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.46 3isx s VAL 299 N 0.08 1.96 0.04 3.82 1.01 0.18 -1.59 120.40 125.90 3isx s VAL 299 Ca -0.03 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.11 3isx s VAL 299 Cb -0.10 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3isx s VAL 299 CO 0.01 0.53 -0.20 -0.44 0.00 0.00 0.00 175.10 175.00 3isx s SER 300 N 0.99 2.38 -0.18 3.32 0.01 0.08 -1.68 113.70 118.62 3isx s SER 300 Ca -0.03 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 56.52 3isx s SER 300 Cb -0.15 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 3isx s SER 300 CO -0.05 0.15 0.60 -0.63 0.41 0.00 0.00 173.24 173.72 3isx s ILE 301 N -0.78 5.05 0.24 1.44 -1.09 0.31 -0.96 121.20 125.42 3isx s ILE 301 Ca 0.07 1.15 -0.30 0.00 -2.23 0.00 0.00 60.65 59.33 3isx s ILE 301 Cb -0.09 -3.92 -0.11 0.00 -1.58 0.00 0.00 42.46 36.76 3isx s ILE 301 CO 0.02 0.16 1.54 -2.84 -1.23 0.00 0.00 174.94 172.58 3isx s PRO 302 N 1.64 4.19 -0.04 2.79 0.02 -1.26 -1.67 135.00 140.67 3isx s PRO 302 Ca 0.28 2.44 -0.01 0.00 0.02 0.00 0.00 61.00 63.73 3isx s PRO 302 Cb -0.16 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.31 3isx s PRO 302 CO 0.11 -0.56 0.07 0.99 -0.33 0.00 0.00 177.00 177.28 3isx s THR 303 N 0.32 -0.06 0.31 0.99 2.01 0.14 -4.53 115.64 114.81 3isx s THR 303 Ca 0.64 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.73 3isx s THR 303 Cb -0.45 -0.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.84 3isx s THR 303 CO 0.42 0.09 0.68 -0.13 -0.69 0.00 0.00 174.62 174.99 3isx s ARG 304 N 1.19 3.92 -0.97 4.92 0.52 -1.26 -0.75 118.95 126.51 3isx s ARG 304 Ca -0.08 0.53 -0.06 0.00 -0.52 0.00 0.00 55.73 55.60 3isx s ARG 304 Cb -0.13 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.86 3isx s ARG 304 CO -0.04 0.18 0.76 0.66 0.02 0.00 0.00 175.30 176.88 3isx n TYR 305 N -0.41 -1.90 -1.80 -0.53 4.01 -1.26 -4.37 117.16 110.89 3isx n TYR 305 Ca 0.02 0.65 -0.41 0.00 -0.16 0.00 0.00 57.90 58.00 3isx n TYR 305 Cb 0.53 -3.76 -0.01 0.00 -0.31 0.00 0.00 39.34 35.79 3isx n TYR 305 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3isx s VAL 306 N -3.18 2.10 0.00 -0.72 1.01 -1.26 -1.76 120.40 116.59 3isx s VAL 306 Ca 0.38 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3isx s VAL 306 Cb -0.17 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3isx s VAL 306 CO 0.46 0.02 0.00 1.41 0.00 0.00 0.00 175.10 176.99 3isx n HIS 307 N 1.85 0.00 -2.85 5.22 8.25 -1.26 -5.05 115.22 121.38 3isx n HIS 307 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.33 3isx n HIS 307 Cb 0.38 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.47 3isx n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3isx s SER 308 N -2.18 5.27 0.00 0.41 1.04 -0.72 -4.76 113.70 112.76 3isx s SER 308 Ca 0.00 -0.37 0.22 0.00 0.48 0.00 0.00 55.95 56.28 3isx s SER 308 Cb 0.00 -0.46 1.25 0.00 0.10 0.00 0.00 66.02 66.91 3isx s SER 308 CO 0.00 -1.12 1.68 -0.81 0.98 0.00 0.00 173.24 173.96 3isx n PRO 309 N -2.20 0.60 -2.87 4.02 -0.05 -1.26 -4.04 135.00 129.20 3isx n PRO 309 Ca 0.10 0.02 -0.18 0.00 -0.05 0.00 0.00 63.50 63.39 3isx n PRO 309 Cb 0.60 -1.50 -0.01 0.00 -0.05 0.00 0.00 33.50 32.54 3isx n PRO 309 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 3isx n SER 310 N -1.06 2.32 -3.68 3.54 7.64 -1.25 -3.35 113.62 117.77 3isx n SER 310 Ca 0.15 -3.16 -0.30 0.00 1.01 0.00 0.00 58.87 56.57 3isx n SER 310 Cb 0.09 -0.56 0.25 0.00 -1.01 0.00 0.00 64.21 62.99 3isx n SER 310 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3isx s GLU 311 N -3.01 -1.53 0.00 1.43 2.02 -0.12 -4.73 118.70 112.76 3isx s GLU 311 Ca 0.39 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.26 3isx s GLU 311 Cb 0.38 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 33.04 3isx s GLU 311 CO -0.07 -3.90 0.00 0.44 0.02 0.00 0.00 175.26 171.74 3isx n ILE 313 N -4.88 0.00 -3.62 -1.63 -6.64 -0.23 -1.47 119.36 100.89 3isx n ILE 313 Ca 0.14 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.74 3isx n ILE 313 Cb 0.60 0.00 -0.11 0.00 -1.44 0.00 0.00 39.64 38.68 3isx n ILE 313 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3isx s ALA 314 N -2.00 3.46 0.48 -1.28 0.00 -1.26 -1.51 121.76 119.65 3isx s ALA 314 Ca 0.00 -1.09 0.16 0.00 0.00 0.00 0.00 51.96 51.03 3isx s ALA 314 Cb 0.00 -2.40 1.17 0.00 0.00 0.00 0.00 23.12 21.88 3isx s ALA 314 CO 0.00 -0.53 2.04 -1.35 0.00 0.00 0.00 175.76 175.92 3isx h PRO 315 N 8.33 0.21 -0.52 0.00 0.11 -1.95 -0.63 132.00 137.54 3isx h PRO 315 Ca -0.36 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.78 3isx h PRO 315 Cb 1.19 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3isx h PRO 315 CO 0.56 0.14 0.35 0.38 -0.21 0.00 0.00 178.00 179.21 3isx h ASP 316 N 0.22 0.50 -0.37 -2.05 2.03 -1.94 -1.25 116.42 113.56 3isx h ASP 316 Ca 0.18 -0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 56.40 3isx h ASP 316 Cb 0.44 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.81 3isx h ASP 316 CO -0.03 0.35 -0.03 0.44 -1.03 0.00 0.00 179.24 178.93 3isx h ASP 317 N 0.58 0.74 -0.12 4.15 3.32 -1.48 -0.77 116.42 122.83 3isx h ASP 317 Ca 0.21 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3isx h ASP 317 Cb 0.12 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3isx h ASP 317 CO -0.06 0.83 -0.10 0.58 -1.72 0.00 0.00 179.24 178.78 3isx h VAL 318 N 0.71 1.34 -0.79 -1.35 2.07 -1.35 -1.79 116.25 115.09 3isx h VAL 318 Ca 0.13 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3isx h VAL 318 Cb 0.48 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3isx h VAL 318 CO 0.02 0.35 0.39 -0.33 0.02 0.00 0.00 177.57 178.03 3isx h GLU 319 N -0.09 1.12 -0.81 1.57 5.08 -1.20 -1.51 114.58 118.74 3isx h GLU 319 Ca 0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3isx h GLU 319 Cb 0.60 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3isx h GLU 319 CO 0.03 0.86 0.41 0.00 -1.00 0.00 0.00 179.01 179.31 3isx h ALA 320 N 1.20 1.20 -0.35 3.43 0.00 -1.04 -0.60 119.26 123.10 3isx h ALA 320 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3isx h ALA 320 Cb 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3isx h ALA 320 CO -0.04 0.63 0.14 1.15 0.00 0.00 0.00 179.25 181.13 3isx h THR 321 N 1.15 1.18 -0.28 0.00 2.02 -0.87 -0.21 112.91 115.90 3isx h THR 321 Ca 0.28 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3isx h THR 321 Cb 0.08 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3isx h THR 321 CO -0.04 0.20 0.18 0.58 0.37 0.00 0.00 175.52 176.81 3isx h VAL 322 N 0.42 1.08 -0.55 3.16 2.07 -0.98 -1.85 116.25 119.59 3isx h VAL 322 Ca 0.12 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3isx h VAL 322 Cb 0.17 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3isx h VAL 322 CO -0.01 0.08 0.36 0.44 0.02 0.00 0.00 177.57 178.46 3isx h ASP 323 N 0.37 0.62 -0.39 0.57 3.32 -0.88 -0.38 116.42 119.65 3isx h ASP 323 Ca 0.10 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.15 3isx h ASP 323 Cb -0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3isx h ASP 323 CO -0.02 0.45 0.25 0.25 -1.72 0.00 0.00 179.24 178.44 3isx h LEU 324 N 0.74 0.41 -0.42 1.55 5.85 -0.82 -2.06 115.31 120.55 3isx h LEU 324 Ca 0.21 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 3isx h LEU 324 Cb -0.07 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3isx h LEU 324 CO -0.05 0.30 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.02 3isx h LEU 325 N 0.50 0.96 -0.70 2.25 3.38 -0.92 -0.58 115.31 120.20 3isx h LEU 325 Ca 0.15 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3isx h LEU 325 Cb -0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3isx h LEU 325 CO -0.05 1.17 0.31 0.40 0.09 0.00 0.00 178.44 180.36 3isx h ILE 326 N 0.75 1.24 -0.40 1.22 2.04 -1.00 -0.34 117.51 121.02 3isx h ILE 326 Ca 0.09 -0.72 -0.14 0.00 1.00 0.00 0.00 64.86 65.09 3isx h ILE 326 Cb 0.84 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3isx h ILE 326 CO 0.07 0.29 -0.31 0.03 0.00 0.00 0.00 178.15 178.24 3isx h ARG 327 N 0.99 0.92 -0.57 2.37 3.08 -1.18 -1.40 114.38 118.60 3isx h ARG 327 Ca 0.24 -0.45 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 3isx h ARG 327 Cb 0.17 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3isx h ARG 327 CO -0.02 1.11 0.09 -0.92 -1.07 0.00 0.00 179.97 179.16 3isx h TYR 328 N 0.74 1.00 -0.01 3.04 3.20 -0.86 -3.29 116.97 120.79 3isx h TYR 328 Ca 0.08 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3isx h TYR 328 Cb 0.89 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3isx h TYR 328 CO 0.06 0.87 -0.59 1.28 -1.64 0.00 0.00 178.16 178.15 3isx n LEU 329 N -4.34 1.35 0.00 2.82 4.77 -0.16 -4.95 117.00 116.49 3isx n LEU 329 Ca 0.02 -0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 55.47 3isx n LEU 329 Cb 0.27 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3isx n LEU 329 CO 0.42 0.27 0.12 0.61 -1.33 0.00 0.00 177.39 177.47 3isx n GLY 330 N 1.44 0.02 0.00 -0.72 0.00 -0.53 -1.32 105.19 104.08 3isx n GLY 330 Ca 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3isx n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32