#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias n GLY 3 N 0.00 -0.08 0.00 3.41 0.00 -1.26 -5.12 105.19 102.15 3ias n GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ias n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ias n PRO 4 N -3.22 0.00 -4.68 1.61 -0.05 -1.26 -5.13 135.00 122.27 3ias n PRO 4 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 63.50 63.21 3ias n PRO 4 Cb 0.14 0.00 -0.16 0.00 -0.05 0.00 0.00 33.50 33.44 3ias n PRO 4 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3ias s ILE 5 N 0.00 1.19 -0.15 0.52 1.01 -1.26 -5.04 121.20 117.47 3ias s ILE 5 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 3ias s ILE 5 Cb 0.00 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3ias s ILE 5 CO 0.00 0.35 1.05 -0.76 0.00 0.00 0.00 174.94 175.58 3ias s LEU 6 N -0.02 4.20 -0.30 2.97 1.43 -0.92 -4.94 118.68 121.09 3ias s LEU 6 Ca -0.01 1.52 0.18 0.00 -1.03 0.00 0.00 54.13 54.79 3ias s LEU 6 Cb -0.09 -3.55 0.46 0.00 0.03 0.00 0.00 46.19 43.04 3ias s LEU 6 CO 0.01 -0.55 1.23 -1.20 0.23 0.00 0.00 176.35 176.07 3ias n SER 7 N 5.56 0.39 0.00 2.29 7.64 -1.26 -1.33 113.62 126.91 3ias n SER 7 Ca 0.10 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3ias n SER 7 Cb 0.47 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3ias n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ias n GLY 8 N -0.79 -1.20 1.90 0.23 0.00 -1.26 -3.84 105.19 100.22 3ias n GLY 8 Ca -0.01 0.45 0.07 0.00 0.00 0.00 0.00 46.02 46.53 3ias n GLY 8 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ias n LEU 9 N 0.00 5.75 -4.39 0.99 7.94 -1.26 -4.57 117.00 121.47 3ias n LEU 9 Ca 0.00 -2.92 -0.33 0.00 -1.11 0.00 0.00 56.01 51.65 3ias n LEU 9 Cb 0.00 -0.69 0.12 0.00 0.53 0.00 0.00 43.42 43.38 3ias n LEU 9 CO 0.00 0.63 -0.18 -0.67 -1.11 0.00 0.00 177.39 176.06 3ias n ASP 10 N 0.60 -2.36 0.06 1.96 -0.08 -1.26 -4.93 116.55 110.54 3ias n ASP 10 Ca 0.28 0.31 0.11 0.00 -1.51 0.00 0.00 54.79 53.99 3ias n ASP 10 Cb 1.21 -1.17 -0.03 0.00 2.34 0.00 0.00 41.12 43.47 3ias n ASP 10 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3ias n PRO 11 N -1.42 0.53 -0.22 -0.67 -0.04 -1.26 -3.68 135.00 128.24 3ias n PRO 11 Ca 0.06 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 3ias n PRO 11 Cb 0.54 -1.70 0.16 0.00 -0.04 0.00 0.00 33.50 32.46 3ias n PRO 11 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3ias n ARG 12 N -2.40 2.00 -2.70 0.54 1.85 -1.26 -4.83 116.66 109.85 3ias n ARG 12 Ca -0.00 -1.31 -0.42 0.00 -1.00 0.00 0.00 57.85 55.11 3ias n ARG 12 Cb 0.52 -1.38 -0.03 0.00 -1.05 0.00 0.00 32.46 30.53 3ias n ARG 12 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 3ias s PHE 13 N -1.58 3.52 -0.23 2.89 5.36 -1.24 -5.03 117.98 121.66 3ias s PHE 13 Ca 0.24 1.58 -0.04 0.00 -0.96 0.00 0.00 56.93 57.76 3ias s PHE 13 Cb 0.14 -3.17 -0.00 0.00 -0.34 0.00 0.00 43.02 39.64 3ias s PHE 13 CO 0.15 -0.21 -0.03 -1.21 -1.46 0.00 0.00 175.22 172.45 3ias s GLU 14 N 1.95 3.28 0.31 10.12 2.02 -1.26 -5.02 118.70 130.09 3ias s GLU 14 Ca 0.48 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 3ias s GLU 14 Cb -0.18 -3.04 -0.10 0.00 0.10 0.00 0.00 34.13 30.90 3ias s GLU 14 CO 0.18 -0.25 1.40 1.03 0.02 0.00 0.00 175.26 177.65 3ias s ARG 15 N 1.46 4.27 0.04 1.61 1.81 -1.26 -4.94 118.95 121.94 3ias s ARG 15 Ca 0.05 2.33 0.00 0.00 -1.72 0.00 0.00 55.73 56.39 3ias s ARG 15 Cb -0.15 -3.07 0.00 0.00 -0.45 0.00 0.00 34.95 31.29 3ias s ARG 15 CO -0.03 -0.36 0.00 2.41 -0.68 0.00 0.00 175.30 176.64 3ias n THR 16 N 1.40 0.34 0.30 0.02 -1.04 -1.26 -4.76 114.28 109.28 3ias n THR 16 Ca 0.03 0.11 -0.15 0.00 -2.04 0.00 0.00 64.05 62.00 3ias n THR 16 Cb 0.41 -1.06 -0.08 0.00 -1.82 0.00 0.00 70.33 67.77 3ias n THR 16 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ias h LEU 17 N 0.00 -0.67 -1.64 -4.42 3.38 -1.93 -3.12 115.31 106.91 3ias h LEU 17 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ias h LEU 17 Cb 0.00 0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ias h LEU 17 CO 0.00 -0.33 0.00 -1.22 0.09 0.00 0.00 178.44 176.98 3ias n TYR 18 N -5.34 0.66 -0.22 1.13 4.02 -1.26 -4.45 117.16 111.70 3ias n TYR 18 Ca -0.12 -0.26 0.03 0.00 -0.01 0.00 0.00 57.90 57.54 3ias n TYR 18 Cb 0.34 -0.15 0.13 0.00 -0.02 0.00 0.00 39.34 39.65 3ias n TYR 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ias h ALA 19 N 3.19 0.75 -0.02 -0.72 0.00 -1.84 -2.38 119.26 118.24 3ias h ALA 19 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ias h ALA 19 Cb 0.79 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ias h ALA 19 CO 0.11 -0.37 -0.27 0.72 0.00 0.00 0.00 179.25 179.44 3ias n HIS 20 N -5.22 0.00 -1.78 0.00 8.25 -1.26 -4.96 115.22 110.23 3ias n HIS 20 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3ias n HIS 20 Cb 0.40 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 3ias n HIS 20 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ias s VAL 21 N -2.21 2.16 0.00 1.59 1.01 -0.90 -1.53 120.40 120.53 3ias s VAL 21 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3ias s VAL 21 Cb 0.18 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.48 3ias s VAL 21 CO 0.44 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3ias n GLY 22 N 3.56 0.89 3.73 4.51 0.00 -1.26 -5.04 105.19 111.58 3ias n GLY 22 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3ias n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias s LYS 23 N -0.47 4.40 -0.22 1.61 -0.14 -0.58 -4.98 119.74 119.36 3ias s LYS 23 Ca 0.00 0.78 -0.38 0.00 -1.36 0.00 0.00 55.97 55.01 3ias s LYS 23 Cb 0.00 -3.42 -0.14 0.00 -1.68 0.00 0.00 37.83 32.58 3ias s LYS 23 CO 0.00 0.14 1.79 -1.91 -0.76 0.00 0.00 175.35 174.61 3ias n GLU 24 N 3.55 1.48 -2.51 1.68 2.13 -1.26 -1.87 120.64 123.84 3ias n GLU 24 Ca -0.03 0.54 -0.07 0.00 0.66 0.00 0.00 57.16 58.26 3ias n GLU 24 Cb 0.51 -2.28 0.01 0.00 0.27 0.00 0.00 31.44 29.95 3ias n GLU 24 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 25 N 4.26 0.28 0.00 8.31 0.00 -1.26 -4.95 105.19 111.83 3ias n GLY 25 Ca 0.25 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3ias n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ias n SER 26 N 0.33 0.00 0.01 1.61 3.41 -0.78 -3.57 113.62 114.63 3ias n SER 26 Ca -0.04 0.46 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 3ias n SER 26 Cb 0.54 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 3ias n SER 26 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3ias n TRP 27 N -1.48 0.16 -1.53 7.33 2.14 -1.11 -4.58 117.44 118.36 3ias n TRP 27 Ca 0.06 0.05 -0.41 0.00 2.07 0.00 0.00 57.50 59.27 3ias n TRP 27 Cb 0.28 -0.51 0.01 0.00 -0.81 0.00 0.00 31.31 30.29 3ias n TRP 27 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3ias n THR 28 N -2.21 2.24 -0.04 -1.67 -1.04 -1.23 -4.74 114.28 105.58 3ias n THR 28 Ca -0.02 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.50 3ias n THR 28 Cb 0.53 -0.86 0.31 0.00 -1.82 0.00 0.00 70.33 68.50 3ias n THR 28 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ias h LEU 29 N 1.07 0.56 -0.61 -4.42 6.46 -1.94 -2.23 115.31 114.20 3ias h LEU 29 Ca -0.43 -0.07 -0.14 0.00 -0.12 0.00 0.00 57.88 57.12 3ias h LEU 29 Cb 1.37 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 3ias h LEU 29 CO 0.54 0.54 -0.48 0.44 -0.62 0.00 0.00 178.44 178.86 3ias h ASP 30 N 0.61 0.58 0.50 1.25 5.19 -1.96 -1.96 116.42 120.63 3ias h ASP 30 Ca 0.15 -0.28 -0.05 0.00 -0.62 0.00 0.00 57.03 56.22 3ias h ASP 30 Cb 0.17 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 3ias h ASP 30 CO -0.01 0.97 -0.25 0.22 -3.12 0.00 0.00 179.24 177.05 3ias h TYR 31 N 0.43 0.00 0.19 4.55 3.20 -1.70 0.19 116.97 123.83 3ias h TYR 31 Ca 0.02 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.58 3ias h TYR 31 Cb 0.99 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.29 3ias h TYR 31 CO 0.04 0.25 -1.37 -0.92 -1.64 0.00 0.00 178.16 174.52 3ias h TYR 32 N 0.00 0.95 0.06 -3.82 3.20 -1.12 -3.26 116.97 112.98 3ias h TYR 32 Ca -0.00 -0.65 -0.24 0.00 3.14 0.00 0.00 58.73 60.97 3ias h TYR 32 Cb 0.57 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3ias h TYR 32 CO 0.00 1.50 -1.07 -0.07 -1.64 0.00 0.00 178.16 176.88 3ias h LEU 33 N 0.19 0.42 -0.43 2.82 3.38 -1.14 -1.33 115.31 119.21 3ias h LEU 33 Ca -0.22 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3ias h LEU 33 Cb 2.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3ias h LEU 33 CO 0.26 1.24 0.00 0.54 0.09 0.00 0.00 178.44 180.56 3ias n ARG 34 N -3.62 0.06 -0.47 1.13 1.74 0.65 -1.74 116.66 114.41 3ias n ARG 34 Ca -0.07 0.46 0.06 0.00 -0.77 0.00 0.00 57.85 57.54 3ias n ARG 34 Cb 0.92 -1.66 0.19 0.00 -1.02 0.00 0.00 32.46 30.89 3ias n ARG 34 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3ias n HIS 35 N -1.78 0.10 -1.33 -1.55 8.25 -1.05 -4.96 115.22 112.89 3ias n HIS 35 Ca 0.01 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.11 3ias n HIS 35 Cb 0.08 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3ias n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ias n GLY 36 N -1.19 0.76 0.00 -1.41 0.00 -0.71 -5.04 105.19 97.60 3ias n GLY 36 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3ias n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 37 N -1.07 -2.55 0.46 -0.02 0.00 -0.53 -4.27 105.19 97.22 3ias n GLY 37 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3ias n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 38 N 0.00 0.00 0.27 1.61 4.02 -1.26 -3.75 117.16 118.05 3ias n TYR 38 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 3ias n TYR 38 Cb 0.00 -0.03 0.76 0.00 -0.02 0.00 0.00 39.34 40.05 3ias n TYR 38 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3ias h GLU 39 N 0.64 0.00 0.21 -0.72 4.57 -1.97 -0.71 114.58 116.60 3ias h GLU 39 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 3ias h GLU 39 Cb 0.14 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3ias h GLU 39 CO 0.00 0.08 -1.53 1.15 -1.18 0.00 0.00 179.01 177.53 3ias h THR 40 N 0.00 1.21 -0.65 0.32 2.02 -1.84 -2.91 112.91 111.05 3ias h THR 40 Ca -0.00 -2.72 0.03 0.00 0.77 0.00 0.00 66.41 64.49 3ias h THR 40 Cb 0.39 2.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.68 3ias h THR 40 CO 0.01 0.84 0.40 0.00 0.37 0.00 0.00 175.52 177.14 3ias h ALA 41 N 0.24 0.84 0.24 6.16 0.00 -1.67 -2.72 119.26 122.36 3ias h ALA 41 Ca -0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ias h ALA 41 Cb 2.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 3ias h ALA 41 CO 0.23 0.16 -0.33 -0.22 0.00 0.00 0.00 179.25 179.09 3ias h LYS 42 N 0.79 -0.57 -0.63 0.00 3.64 -1.20 -2.24 116.57 116.35 3ias h LYS 42 Ca 0.26 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.79 3ias h LYS 42 Cb 0.02 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 31.85 3ias h LYS 42 CO -0.10 -0.38 -0.36 0.00 -2.27 0.00 0.00 179.45 176.33 3ias h ARG 43 N -0.59 -0.15 -0.54 1.90 3.08 -1.45 -2.08 114.38 114.55 3ias h ARG 43 Ca -0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3ias h ARG 43 Cb 0.53 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3ias h ARG 43 CO -0.09 -0.10 0.34 0.28 -1.07 0.00 0.00 179.97 179.34 3ias h VAL 44 N -0.16 1.15 -0.49 2.04 2.07 -1.38 0.64 116.25 120.11 3ias h VAL 44 Ca 0.23 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3ias h VAL 44 Cb 0.56 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3ias h VAL 44 CO -0.72 0.15 0.23 -0.07 0.02 0.00 0.00 177.57 177.18 3ias h LEU 45 N 0.73 0.65 -0.20 2.57 3.38 -0.86 -2.95 115.31 118.63 3ias h LEU 45 Ca 0.20 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3ias h LEU 45 Cb -0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3ias h LEU 45 CO -0.04 0.60 -0.54 0.11 0.09 0.00 0.00 178.44 178.66 3ias h LYS 46 N 0.65 0.72 0.00 1.13 1.57 -0.87 -3.43 116.57 116.34 3ias h LYS 46 Ca 0.17 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3ias h LYS 46 Cb 0.13 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3ias h LYS 46 CO -0.02 1.13 0.00 0.39 -0.57 0.00 0.00 179.45 180.38 3ias n GLU 47 N -4.11 0.00 -1.67 3.15 1.02 0.17 -5.00 120.64 114.20 3ias n GLU 47 Ca -0.06 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.68 3ias n GLU 47 Cb 0.62 -0.09 0.02 0.00 -0.02 0.00 0.00 31.44 31.97 3ias n GLU 47 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ias n LYS 48 N -1.14 1.57 -1.96 3.49 4.01 -1.12 -5.02 118.16 117.99 3ias n LYS 48 Ca 0.00 0.57 -0.29 0.00 -0.51 0.00 0.00 58.31 58.08 3ias n LYS 48 Cb 0.00 -2.28 0.07 0.00 -0.51 0.00 0.00 35.03 32.31 3ias n LYS 48 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3ias s THR 49 N -1.28 2.66 0.10 -0.18 -4.23 -1.26 -4.61 115.64 106.83 3ias s THR 49 Ca 0.65 0.14 -0.32 0.00 -1.18 0.00 0.00 61.69 60.99 3ias s THR 49 Cb -0.50 -3.20 -0.13 0.00 1.34 0.00 0.00 72.50 70.01 3ias s THR 49 CO 0.55 -0.25 1.60 -0.65 -0.54 0.00 0.00 174.62 175.33 3ias h PRO 50 N -0.81 -0.74 -1.00 3.99 0.11 -1.90 -2.49 132.00 129.15 3ias h PRO 50 Ca -0.45 0.05 0.16 0.00 0.11 0.00 0.00 66.00 65.87 3ias h PRO 50 Cb 1.30 0.17 -0.10 0.00 0.11 0.00 0.00 31.00 32.48 3ias h PRO 50 CO 0.64 -0.49 0.62 -0.44 -0.21 0.00 0.00 178.00 178.12 3ias h ASP 51 N -0.77 0.84 -0.80 -2.05 3.32 -1.91 -1.59 116.42 113.46 3ias h ASP 51 Ca -0.02 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3ias h ASP 51 Cb 0.70 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 3ias h ASP 51 CO -0.08 0.37 0.53 -0.33 -1.72 0.00 0.00 179.24 178.00 3ias h GLU 52 N 0.86 1.05 0.00 3.56 5.08 -1.84 -1.47 114.58 121.83 3ias h GLU 52 Ca 0.55 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.74 3ias h GLU 52 Cb 0.73 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3ias h GLU 52 CO -0.33 0.70 -0.48 -0.24 -1.00 0.00 0.00 179.01 177.66 3ias h VAL 53 N 1.08 1.06 0.46 3.13 3.04 -0.95 -2.17 116.25 121.91 3ias h VAL 53 Ca 0.29 -1.82 -0.02 0.00 -1.01 0.00 0.00 66.70 64.14 3ias h VAL 53 Cb -0.12 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3ias h VAL 53 CO -0.06 0.47 -0.22 0.40 -1.01 0.00 0.00 177.57 177.14 3ias h ILE 54 N 0.00 0.53 -0.45 3.17 2.04 -1.09 -2.76 117.51 118.95 3ias h ILE 54 Ca -0.00 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.80 3ias h ILE 54 Cb 1.03 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3ias h ILE 54 CO 0.06 0.03 0.31 -0.33 0.00 0.00 0.00 178.15 178.22 3ias h GLU 55 N -0.72 0.17 0.00 2.37 4.39 -1.11 0.55 114.58 120.24 3ias h GLU 55 Ca -0.06 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 3ias h GLU 55 Cb 0.53 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3ias h GLU 55 CO 0.10 0.11 -0.54 1.49 -1.16 0.00 0.00 179.01 179.01 3ias h GLU 56 N 0.17 0.00 0.04 2.33 4.57 -1.29 -0.09 114.58 120.32 3ias h GLU 56 Ca 0.21 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.10 3ias h GLU 56 Cb 0.61 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 3ias h GLU 56 CO -0.03 0.54 -1.60 0.28 -1.18 0.00 0.00 179.01 177.02 3ias h VAL 57 N 0.00 1.02 0.00 0.32 2.07 0.08 -1.90 116.25 117.84 3ias h VAL 57 Ca -0.01 -2.79 -0.06 0.00 0.82 0.00 0.00 66.70 64.67 3ias h VAL 57 Cb 1.00 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 3ias h VAL 57 CO 0.07 0.68 -0.28 0.50 0.02 0.00 0.00 177.57 178.57 3ias h LYS 58 N 0.02 0.00 0.00 1.57 3.64 -0.09 -2.50 116.57 119.22 3ias h LYS 58 Ca -0.25 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.94 3ias h LYS 58 Cb 1.98 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.77 3ias h LYS 58 CO 0.11 0.28 -1.02 -0.09 -2.27 0.00 0.00 179.45 176.45 3ias h ARG 59 N 0.00 0.00 -0.19 1.90 2.43 -1.01 -3.31 114.38 114.21 3ias h ARG 59 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3ias h ARG 59 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3ias h ARG 59 CO 0.04 0.74 -0.35 0.66 -1.51 0.00 0.00 179.97 179.54 3ias h SER 60 N 0.00 0.41 0.00 -3.80 4.64 -0.87 -3.47 113.55 110.45 3ias h SER 60 Ca -0.06 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3ias h SER 60 Cb 1.70 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3ias h SER 60 CO 0.10 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 3ias n GLY 61 N -0.22 1.05 3.72 -0.77 0.00 -1.19 -4.29 105.19 103.50 3ias n GLY 61 Ca -0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3ias n GLY 61 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ias s LEU 62 N 0.00 4.39 -0.06 0.99 2.96 -1.25 -4.01 118.68 121.71 3ias s LEU 62 Ca 0.00 1.81 0.05 0.00 -0.22 0.00 0.00 54.13 55.77 3ias s LEU 62 Cb 0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 3ias s LEU 62 CO 0.00 -0.30 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.40 3ias s ARG 63 N 0.80 2.57 -0.47 1.98 0.52 -1.26 -0.74 118.95 122.35 3ias s ARG 63 Ca 0.53 -0.82 -0.44 0.00 -0.52 0.00 0.00 55.73 54.48 3ias s ARG 63 Cb -0.24 -2.27 -0.18 0.00 0.52 0.00 0.00 34.95 32.78 3ias s ARG 63 CO 0.29 0.46 1.92 0.41 0.02 0.00 0.00 175.30 178.40 3ias n GLY 64 N 2.75 0.10 0.32 -3.53 0.00 0.70 -4.80 105.19 100.73 3ias n GLY 64 Ca -0.17 1.05 0.02 0.00 0.00 0.00 0.00 46.02 46.92 3ias n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias n ARG 65 N 6.13 1.38 0.00 1.61 5.12 -1.26 -2.69 116.66 126.95 3ias n ARG 65 Ca 0.43 -0.51 0.12 0.00 -1.93 0.00 0.00 57.85 55.95 3ias n ARG 65 Cb -0.01 -1.18 0.70 0.00 -1.16 0.00 0.00 32.46 30.81 3ias n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ias n GLY 66 N 0.64 -0.97 0.00 -0.13 0.00 -1.26 -4.83 105.19 98.64 3ias n GLY 66 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ias n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 67 N 0.82 2.82 0.00 -0.02 0.00 -1.23 -4.83 105.19 102.76 3ias n GLY 67 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3ias n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 68 N 0.00 0.00 0.00 4.61 0.00 -1.26 -4.64 120.51 119.22 3ias n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ias n ALA 68 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3ias n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 69 N -0.47 1.54 3.75 0.00 0.00 -1.09 -5.00 105.19 103.92 3ias n GLY 69 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3ias n GLY 69 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ias s PHE 70 N -2.00 3.85 -0.41 1.61 2.19 -1.26 -4.54 117.98 117.42 3ias s PHE 70 Ca 0.00 1.67 -0.29 0.00 0.33 0.00 0.00 56.93 58.63 3ias s PHE 70 Cb 0.00 -2.88 -0.09 0.00 -1.31 0.00 0.00 43.02 38.75 3ias s PHE 70 CO 0.00 0.37 2.32 -2.30 1.83 0.00 0.00 175.22 177.45 3ias n PRO 71 N 2.17 1.25 0.19 10.12 -0.02 -1.26 -0.22 135.00 147.23 3ias n PRO 71 Ca -0.03 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.74 3ias n PRO 71 Cb 0.49 -2.96 0.38 0.00 -0.02 0.00 0.00 33.50 31.39 3ias n PRO 71 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ias h THR 72 N 7.41 1.02 0.19 3.45 1.35 -1.28 -1.09 112.91 123.95 3ias h THR 72 Ca -0.28 -1.38 -0.01 0.00 -0.55 0.00 0.00 66.41 64.19 3ias h THR 72 Cb 1.28 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3ias h THR 72 CO 1.08 0.36 -0.10 1.23 -0.25 0.00 0.00 175.52 177.84 3ias h GLY 73 N 1.58 -0.28 0.72 5.82 0.00 -1.74 -2.00 103.07 107.17 3ias h GLY 73 Ca -0.00 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.50 3ias h GLY 73 CO 0.05 -0.11 0.59 -2.00 0.00 0.00 0.00 176.54 175.07 3ias h LEU 74 N -0.27 0.94 -0.36 3.11 5.85 -1.75 -2.44 115.31 120.38 3ias h LEU 74 Ca -0.02 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3ias h LEU 74 Cb 0.22 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3ias h LEU 74 CO 0.04 0.60 0.16 0.50 -0.34 0.00 0.00 178.44 179.39 3ias h LYS 75 N 1.07 0.33 0.00 1.25 3.64 -0.76 -0.22 116.57 121.88 3ias h LYS 75 Ca 0.41 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 3ias h LYS 75 Cb 0.18 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3ias h LYS 75 CO -0.18 0.22 -0.21 -1.49 -2.27 0.00 0.00 179.45 175.52 3ias h TRP 76 N 0.34 0.00 0.00 1.91 6.55 -1.06 -2.64 115.95 121.05 3ias h TRP 76 Ca 0.15 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.99 3ias h TRP 76 Cb 0.09 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.39 3ias h TRP 76 CO -0.11 0.21 0.00 -1.13 -1.05 0.00 0.00 178.44 176.36 3ias n SER 77 N -3.78 0.32 0.04 -3.49 3.41 -0.10 -1.78 113.62 108.25 3ias n SER 77 Ca -0.02 0.61 0.02 0.00 -0.26 0.00 0.00 58.87 59.22 3ias n SER 77 Cb 0.32 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 3ias n SER 77 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ias n PHE 78 N -1.88 0.95 -1.63 7.33 3.72 -0.99 -4.91 117.46 120.04 3ias n PHE 78 Ca 0.01 0.31 -0.43 0.00 -0.05 0.00 0.00 57.45 57.29 3ias n PHE 78 Cb 0.11 -1.05 -0.00 0.00 -0.94 0.00 0.00 39.48 37.59 3ias n PHE 78 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3ias n MET 79 N -2.83 1.60 -1.65 -1.08 2.81 -0.73 -4.86 117.12 110.37 3ias n MET 79 Ca -0.08 0.56 -0.43 0.00 -1.81 0.00 0.00 57.70 55.94 3ias n MET 79 Cb 0.79 -2.06 -0.00 0.00 -0.71 0.00 0.00 33.22 31.24 3ias n MET 79 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3ias n PRO 80 N 0.49 1.73 0.00 0.03 -0.02 -1.26 -4.99 135.00 130.99 3ias n PRO 80 Ca 0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3ias n PRO 80 Cb 0.35 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3ias n PRO 80 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ias n LYS 81 N 0.45 0.00 -3.81 -0.52 4.76 -1.26 -4.80 118.16 112.99 3ias n LYS 81 Ca 0.07 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.21 3ias n LYS 81 Cb 0.36 -0.28 -0.15 0.00 -1.84 0.00 0.00 35.03 33.12 3ias n LYS 81 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ias s ASP 82 N -1.91 3.93 0.00 4.39 1.01 -1.26 -4.93 116.67 117.90 3ias s ASP 82 Ca 0.00 -1.50 0.00 0.00 0.71 0.00 0.00 52.55 51.76 3ias s ASP 82 Cb 0.00 -0.98 0.00 0.00 1.01 0.00 0.00 42.92 42.95 3ias s ASP 82 CO 0.00 -0.36 0.00 -0.90 0.21 0.00 0.00 175.17 174.12 3ias n ASP 83 N 4.77 1.44 0.00 0.27 5.75 -1.26 -5.03 116.55 122.49 3ias n ASP 83 Ca -0.04 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 3ias n ASP 83 Cb 0.43 0.54 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 3ias n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ias n GLY 84 N 0.97 1.43 3.80 6.12 0.00 -1.26 -5.03 105.19 111.21 3ias n GLY 84 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ias n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias s LYS 85 N -0.36 3.35 0.13 1.61 1.02 -1.26 -4.99 119.74 119.24 3ias s LYS 85 Ca 0.00 1.27 -0.31 0.00 0.02 0.00 0.00 55.97 56.95 3ias s LYS 85 Cb 0.00 -2.03 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 3ias s LYS 85 CO 0.00 -0.79 1.51 -1.14 -0.92 0.00 0.00 175.35 174.01 3ias s GLN 86 N -3.89 4.25 0.01 1.68 2.00 -1.26 -5.00 119.66 117.45 3ias s GLN 86 Ca 0.65 2.25 0.02 0.00 -2.00 0.00 0.00 55.36 56.28 3ias s GLN 86 Cb -0.17 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.34 3ias s GLN 86 CO 0.34 -0.57 -0.01 -1.01 -0.50 0.00 0.00 175.29 173.54 3ias s HIS 87 N 1.38 3.03 0.03 1.67 3.76 -1.26 -4.09 115.29 119.82 3ias s HIS 87 Ca 0.68 0.05 0.08 0.00 -0.15 0.00 0.00 55.06 55.72 3ias s HIS 87 Cb -0.40 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 3ias s HIS 87 CO 0.31 0.44 -0.24 0.71 -0.85 0.00 0.00 174.74 175.12 3ias s TYR 88 N -1.08 2.40 0.02 1.40 1.51 -1.08 -3.31 117.35 117.22 3ias s TYR 88 Ca 0.19 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 55.95 3ias s TYR 88 Cb -0.11 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 3ias s TYR 88 CO 0.10 0.13 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.34 3ias s LEU 89 N -1.16 2.67 -0.03 -1.29 2.96 -1.03 -1.94 118.68 118.86 3ias s LEU 89 Ca 0.12 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3ias s LEU 89 Cb -0.10 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3ias s LEU 89 CO 0.02 0.28 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.62 3ias s ILE 90 N -0.88 0.72 -0.29 6.68 1.01 -0.82 -1.27 121.20 126.35 3ias s ILE 90 Ca 0.14 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 3ias s ILE 90 Cb -0.11 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 3ias s ILE 90 CO 0.04 0.23 0.16 0.00 0.00 0.00 0.00 174.94 175.38 3ias n ASN 92 N 5.02 5.24 -1.47 0.00 5.15 -0.42 -1.66 115.26 127.13 3ias n ASN 92 Ca -0.14 -2.82 -0.09 0.00 -0.60 0.00 0.00 54.58 50.93 3ias n ASN 92 Cb 0.51 -1.61 0.07 0.00 -0.53 0.00 0.00 39.78 38.22 3ias n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ias n ALA 93 N 5.14 3.69 -1.66 5.20 0.00 -0.35 -4.19 120.51 128.34 3ias n ALA 93 Ca 0.57 -1.10 -0.31 0.00 0.00 0.00 0.00 53.44 52.60 3ias n ALA 93 Cb 0.35 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 3ias n ALA 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ias n ASP 94 N -0.11 6.88 -4.59 0.00 2.03 -0.85 -2.39 116.55 117.51 3ias n ASP 94 Ca 0.23 -3.26 -0.42 0.00 0.52 0.00 0.00 54.79 51.86 3ias n ASP 94 Cb 0.94 -1.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 3ias n ASP 94 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3ias s GLU 95 N -1.90 3.18 0.00 -0.67 2.12 -1.26 -4.68 118.70 115.49 3ias s GLU 95 Ca 0.57 1.19 0.00 0.00 0.36 0.00 0.00 54.97 57.09 3ias s GLU 95 Cb 0.35 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.51 3ias s GLU 95 CO -0.21 -2.05 0.65 0.43 -0.54 0.00 0.00 175.26 173.53 3ias n SER 96 N 10.80 0.00 -4.58 -1.70 7.64 -1.26 -4.93 113.62 119.59 3ias n SER 96 Ca 0.22 -1.42 -0.41 0.00 1.01 0.00 0.00 58.87 58.27 3ias n SER 96 Cb 0.48 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.52 3ias n SER 96 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ias s GLU 97 N 0.00 3.78 0.12 1.43 2.12 -1.26 -4.89 118.70 119.99 3ias s GLU 97 Ca 0.00 0.04 -0.35 0.00 0.36 0.00 0.00 54.97 55.02 3ias s GLU 97 Cb 0.00 -3.76 -0.17 0.00 0.26 0.00 0.00 34.13 30.46 3ias s GLU 97 CO 0.00 -0.57 1.19 -2.30 -0.54 0.00 0.00 175.26 173.04 3ias n PRO 98 N 5.75 0.95 -0.29 4.30 -0.02 -1.26 -1.60 135.00 142.82 3ias n PRO 98 Ca -0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3ias n PRO 98 Cb 0.49 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3ias n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ias n GLY 99 N 2.14 1.05 3.29 -1.23 0.00 -1.26 -3.10 105.19 106.08 3ias n GLY 99 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3ias n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ias s SER 100 N -2.99 4.09 0.00 1.61 0.15 -0.63 -4.49 113.70 111.43 3ias s SER 100 Ca 0.00 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.29 3ias s SER 100 Cb 0.00 -1.69 0.11 0.00 -1.71 0.00 0.00 66.02 62.73 3ias s SER 100 CO 0.00 0.00 0.97 2.22 1.20 0.00 0.00 173.24 177.63 3ias n PHE 101 N 4.64 0.00 -0.03 3.44 -1.74 -1.26 -4.63 117.46 117.88 3ias n PHE 101 Ca -0.19 -0.16 -0.12 0.00 -0.56 0.00 0.00 57.45 56.42 3ias n PHE 101 Cb 0.51 0.01 -0.07 0.00 1.52 0.00 0.00 39.48 41.45 3ias n PHE 101 CO 0.00 0.00 0.00 1.57 -0.56 0.00 0.00 176.76 177.77 3ias h LYS 102 N 0.25 0.16 0.00 3.97 2.10 -1.92 -3.19 116.57 117.94 3ias h LYS 102 Ca -0.10 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3ias h LYS 102 Cb 1.47 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.78 3ias h LYS 102 CO 0.00 0.43 -0.02 -0.44 -2.00 0.00 0.00 179.45 177.43 3ias h ASP 103 N -0.13 0.00 0.26 7.07 3.32 -1.98 -3.15 116.42 121.81 3ias h ASP 103 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3ias h ASP 103 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3ias h ASP 103 CO 0.01 0.02 -0.15 -0.09 -1.72 0.00 0.00 179.24 177.31 3ias h ARG 104 N 0.00 -0.37 0.00 3.56 2.43 -1.95 -2.74 114.38 115.30 3ias h ARG 104 Ca -0.00 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 3ias h ARG 104 Cb 0.10 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3ias h ARG 104 CO 0.00 -0.25 -0.55 1.88 -1.51 0.00 0.00 179.97 179.54 3ias h TYR 105 N -0.39 0.00 -0.27 2.20 0.05 -1.73 0.05 116.97 116.89 3ias h TYR 105 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 3ias h TYR 105 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3ias h TYR 105 CO -0.08 0.55 -0.03 0.82 -1.05 0.00 0.00 178.16 178.37 3ias h ILE 106 N 0.00 1.18 0.06 -2.88 2.04 -1.62 0.09 117.51 116.38 3ias h ILE 106 Ca -0.01 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3ias h ILE 106 Cb 1.12 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3ias h ILE 106 CO 0.07 0.24 -0.03 -0.07 0.00 0.00 0.00 178.15 178.36 3ias h LEU 107 N 0.39 -0.07 -1.67 1.44 3.38 -1.12 -2.78 115.31 114.88 3ias h LEU 107 Ca 0.09 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.60 3ias h LEU 107 Cb 0.31 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3ias h LEU 107 CO 0.01 0.63 0.33 -0.33 0.09 0.00 0.00 178.44 179.17 3ias h GLU 108 N -0.92 0.39 0.00 1.13 5.08 -0.85 -3.31 114.58 116.10 3ias h GLU 108 Ca -0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3ias h GLU 108 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3ias h GLU 108 CO 0.01 0.26 -1.17 -0.25 -1.00 0.00 0.00 179.01 176.86 3ias n ASP 109 N -4.47 4.38 -2.60 1.42 8.00 0.00 -4.82 116.55 118.46 3ias n ASP 109 Ca 0.07 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 3ias n ASP 109 Cb 0.26 0.59 0.02 0.00 -0.02 0.00 0.00 41.12 41.98 3ias n ASP 109 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ias n VAL 110 N -2.07 1.46 -0.30 2.53 0.24 -1.06 -2.74 118.33 116.40 3ias n VAL 110 Ca -0.04 -3.57 0.09 0.00 -2.04 0.00 0.00 64.34 58.78 3ias n VAL 110 Cb 0.55 0.17 0.25 0.00 -1.47 0.00 0.00 33.84 33.34 3ias n VAL 110 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3ias h PRO 111 N 2.79 0.54 -0.46 7.34 0.11 -1.62 0.80 132.00 141.51 3ias h PRO 111 Ca 0.02 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.18 3ias h PRO 111 Cb 1.15 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ias h PRO 111 CO 0.56 0.36 0.31 0.45 -0.21 0.00 0.00 178.00 179.47 3ias h HIS 112 N 0.56 0.26 -0.46 0.65 3.86 -1.90 0.55 115.15 118.68 3ias h HIS 112 Ca 0.49 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.73 3ias h HIS 112 Cb 0.77 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 3ias h HIS 112 CO -0.10 0.13 0.26 1.25 0.86 0.00 0.00 177.93 180.32 3ias h LEU 113 N 0.25 0.40 0.13 2.43 5.85 -1.19 0.12 115.31 123.30 3ias h LEU 113 Ca 0.21 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3ias h LEU 113 Cb 0.50 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3ias h LEU 113 CO -0.04 0.28 -0.06 0.25 -0.34 0.00 0.00 178.44 178.53 3ias h LEU 114 N 0.51 -0.14 -0.43 2.25 6.46 -0.05 -1.30 115.31 122.60 3ias h LEU 114 Ca 0.19 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.00 3ias h LEU 114 Cb 0.05 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 3ias h LEU 114 CO -0.10 -0.09 0.09 0.40 -0.62 0.00 0.00 178.44 178.12 3ias h ILE 115 N -0.19 0.78 -0.75 4.05 2.04 -0.12 0.26 117.51 123.59 3ias h ILE 115 Ca -0.02 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3ias h ILE 115 Cb 0.15 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3ias h ILE 115 CO 0.03 0.04 0.49 -0.08 0.00 0.00 0.00 178.15 178.63 3ias h GLU 116 N 0.23 0.81 0.03 2.37 4.81 -0.62 -0.14 114.58 122.07 3ias h GLU 116 Ca 0.21 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3ias h GLU 116 Cb 0.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3ias h GLU 116 CO -0.27 0.54 -0.01 0.78 -0.73 0.00 0.00 179.01 179.31 3ias h GLY 117 N 0.84 -0.04 1.65 1.92 0.00 0.62 -2.03 103.07 106.03 3ias h GLY 117 Ca 0.31 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 3ias h GLY 117 CO -0.10 -0.02 -0.05 -0.33 0.00 0.00 0.00 176.54 176.05 3ias h MET 118 N -0.25 0.44 0.19 4.80 2.86 -0.35 0.15 114.93 122.76 3ias h MET 118 Ca -0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3ias h MET 118 Cb 0.23 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3ias h MET 118 CO 0.01 0.50 -0.17 0.82 1.06 0.00 0.00 176.91 179.13 3ias h ILE 119 N 0.42 0.63 0.23 -1.22 2.04 -0.80 1.98 117.51 120.79 3ias h ILE 119 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 3ias h ILE 119 Cb 0.35 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3ias h ILE 119 CO 0.01 0.00 -0.39 -0.07 0.00 0.00 0.00 178.15 177.71 3ias h LEU 120 N -0.38 -1.11 -1.68 1.44 3.38 -0.91 0.46 115.31 116.51 3ias h LEU 120 Ca -0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ias h LEU 120 Cb 0.35 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3ias h LEU 120 CO -0.03 -0.49 0.16 0.00 0.09 0.00 0.00 178.44 178.16 3ias h ALA 121 N -0.22 1.76 0.30 1.53 0.00 -0.42 0.11 119.26 122.32 3ias h ALA 121 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ias h ALA 121 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ias h ALA 121 CO -0.16 0.21 -0.14 0.78 0.00 0.00 0.00 179.25 179.93 3ias h GLY 122 N 0.43 -0.42 0.37 0.00 0.00 0.37 -2.56 103.07 101.26 3ias h GLY 122 Ca 0.10 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.70 3ias h GLY 122 CO -0.02 -0.15 0.41 -1.82 0.00 0.00 0.00 176.54 174.96 3ias h TYR 123 N -0.73 0.72 -0.86 5.60 3.20 -0.49 0.80 116.97 125.21 3ias h TYR 123 Ca -0.04 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.98 3ias h TYR 123 Cb 0.49 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3ias h TYR 123 CO 0.02 0.23 0.56 0.00 -1.64 0.00 0.00 178.16 177.32 3ias h ALA 124 N 1.49 1.76 -0.21 1.82 0.00 -0.57 -2.51 119.26 121.03 3ias h ALA 124 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3ias h ALA 124 Cb 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ias h ALA 124 CO -0.31 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.43 3ias n ILE 125 N -4.54 0.55 -3.01 0.00 -5.35 -0.61 -4.58 119.36 101.82 3ias n ILE 125 Ca 0.15 -0.77 -0.12 0.00 -0.27 0.00 0.00 62.75 61.74 3ias n ILE 125 Cb 0.38 0.84 0.06 0.00 -1.74 0.00 0.00 39.64 39.18 3ias n ILE 125 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3ias n ARG 126 N 0.62 -4.62 -3.67 6.28 3.00 -0.31 -4.91 116.66 113.05 3ias n ARG 126 Ca 0.10 0.57 -0.39 0.00 -0.01 0.00 0.00 57.85 58.12 3ias n ARG 126 Cb 0.37 -4.79 -0.11 0.00 0.00 0.00 0.00 32.46 27.93 3ias n ARG 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ias s ALA 127 N -3.24 3.17 -0.83 7.54 0.00 0.12 -4.09 121.76 124.44 3ias s ALA 127 Ca 0.06 -1.81 0.27 0.00 0.00 0.00 0.00 51.96 50.47 3ias s ALA 127 Cb -0.02 -2.46 0.97 0.00 0.00 0.00 0.00 23.12 21.61 3ias s ALA 127 CO 0.49 -1.42 1.82 0.25 0.00 0.00 0.00 175.76 176.91 3ias n THR 128 N 4.90 0.40 -3.73 0.00 -2.24 -1.21 -4.55 114.28 107.84 3ias n THR 128 Ca -0.12 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 3ias n THR 128 Cb 0.45 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.95 3ias n THR 128 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ias s VAL 129 N -3.07 -0.03 0.18 2.28 1.01 -1.25 -2.82 120.40 116.70 3ias s VAL 129 Ca 0.11 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.30 3ias s VAL 129 Cb 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3ias s VAL 129 CO 0.55 0.04 -0.21 -0.83 0.00 0.00 0.00 175.10 174.65 3ias s GLY 130 N 1.04 1.56 0.08 4.51 0.00 -0.61 -2.47 107.32 111.43 3ias s GLY 130 Ca -0.07 -1.57 0.09 0.00 0.00 0.00 0.00 44.72 43.17 3ias s GLY 130 CO -0.07 -1.60 -0.23 -0.19 0.00 0.00 0.00 173.10 171.00 3ias s TYR 131 N -1.82 2.01 -0.22 1.90 1.51 -0.39 -2.12 117.35 118.21 3ias s TYR 131 Ca 0.18 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3ias s TYR 131 Cb -0.07 -1.14 0.02 0.00 -0.11 0.00 0.00 41.96 40.66 3ias s TYR 131 CO 0.08 0.20 -0.12 0.42 -1.11 0.00 0.00 175.55 175.02 3ias s ILE 132 N -0.98 2.54 -0.46 2.71 1.01 -0.41 -0.76 121.20 124.85 3ias s ILE 132 Ca 0.09 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 3ias s ILE 132 Cb -0.10 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.20 3ias s ILE 132 CO 0.04 0.33 0.51 -0.47 0.00 0.00 0.00 174.94 175.34 3ias s TYR 133 N 1.30 3.13 -0.09 3.97 6.14 -0.66 -1.16 117.35 129.98 3ias s TYR 133 Ca 0.02 -0.50 -0.00 0.00 0.64 0.00 0.00 57.07 57.22 3ias s TYR 133 Cb -0.15 -3.19 -0.03 0.00 0.42 0.00 0.00 41.96 39.01 3ias s TYR 133 CO -0.08 -0.84 -0.07 0.14 0.64 0.00 0.00 175.55 175.34 3ias s VAL 134 N 2.27 3.69 0.37 3.14 -7.23 -0.83 -1.22 120.40 120.59 3ias s VAL 134 Ca 0.12 -0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 59.54 3ias s VAL 134 Cb -0.19 -2.53 -0.11 0.00 0.56 0.00 0.00 36.38 34.11 3ias s VAL 134 CO 0.12 0.57 1.48 -2.11 -0.31 0.00 0.00 175.10 174.86 3ias n ARG 135 N 2.55 2.63 0.00 4.82 1.85 -1.01 -0.57 116.66 126.94 3ias n ARG 135 Ca -0.18 0.92 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 3ias n ARG 135 Cb 0.53 -2.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.29 3ias n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ias n GLY 136 N 0.64 0.50 0.00 2.89 0.00 -1.21 -1.13 105.19 106.87 3ias n GLY 136 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3ias n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ias n GLU 137 N 0.00 0.99 -2.39 1.61 4.71 -1.26 -4.74 120.64 119.56 3ias n GLU 137 Ca 0.00 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.16 56.64 3ias n GLU 137 Cb 0.11 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.30 3ias n GLU 137 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3ias n TYR 138 N -1.78 4.22 0.39 -0.32 4.02 -0.28 -4.78 117.16 118.63 3ias n TYR 138 Ca -0.01 -2.97 -0.16 0.00 -0.01 0.00 0.00 57.90 54.75 3ias n TYR 138 Cb 0.29 -2.45 -0.07 0.00 -0.02 0.00 0.00 39.34 37.08 3ias n TYR 138 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3ias h ARG 139 N 6.85 -0.98 -0.12 -0.72 9.65 -1.85 -1.97 114.38 125.24 3ias h ARG 139 Ca 0.45 0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.44 3ias h ARG 139 Cb 0.78 0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 29.52 3ias h ARG 139 CO 1.55 -0.65 -0.42 -0.09 2.80 0.00 0.00 179.97 183.16 3ias h ARG 140 N -1.14 -0.48 -0.84 0.20 2.43 -1.99 -0.11 114.38 112.45 3ias h ARG 140 Ca -0.10 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.28 3ias h ARG 140 Cb 0.78 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 3ias h ARG 140 CO 0.17 -0.32 0.56 0.00 -1.51 0.00 0.00 179.97 178.87 3ias h ALA 141 N 0.10 2.18 0.15 2.80 0.00 -1.88 0.27 119.26 122.88 3ias h ALA 141 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ias h ALA 141 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ias h ALA 141 CO -0.39 -0.43 -0.07 0.00 0.00 0.00 0.00 179.25 178.36 3ias h ALA 142 N 1.62 -0.20 -0.49 0.00 0.00 -0.32 -0.58 119.26 119.30 3ias h ALA 142 Ca 0.42 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3ias h ALA 142 Cb 1.04 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3ias h ALA 142 CO -0.15 -0.42 0.22 -0.44 0.00 0.00 0.00 179.25 178.47 3ias h ASP 143 N -0.60 0.29 -0.60 0.00 3.32 0.28 -1.95 116.42 117.16 3ias h ASP 143 Ca -0.02 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3ias h ASP 143 Cb 0.46 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3ias h ASP 143 CO 0.03 0.20 0.13 0.03 -1.72 0.00 0.00 179.24 177.92 3ias h ARG 144 N 0.43 0.96 0.24 3.56 2.47 -0.49 -2.19 114.38 119.36 3ias h ARG 144 Ca 0.22 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3ias h ARG 144 Cb 0.17 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3ias h ARG 144 CO -0.18 0.89 -0.12 -0.07 0.56 0.00 0.00 179.97 181.05 3ias h LEU 145 N 0.87 -0.28 -0.19 3.04 3.38 -0.75 -1.69 115.31 119.70 3ias h LEU 145 Ca 0.19 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ias h LEU 145 Cb 0.37 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3ias h LEU 145 CO 0.00 -0.11 -0.37 -0.08 0.09 0.00 0.00 178.44 177.97 3ias h GLU 146 N -0.43 -0.40 -0.19 1.13 4.57 -1.30 0.31 114.58 118.27 3ias h GLU 146 Ca -0.03 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3ias h GLU 146 Cb 0.33 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 3ias h GLU 146 CO 0.05 -0.27 -0.22 1.96 -1.18 0.00 0.00 179.01 179.36 3ias h GLN 147 N -0.41 -0.14 -1.00 1.92 1.08 -1.31 -1.00 115.11 114.25 3ias h GLN 147 Ca 0.10 0.01 0.22 0.00 -1.45 0.00 0.00 58.65 57.53 3ias h GLN 147 Cb 0.58 0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 27.94 3ias h GLN 147 CO -0.41 -0.09 0.62 0.00 -0.95 0.00 0.00 178.83 177.99 3ias h ALA 148 N -0.76 1.87 -0.08 3.87 0.00 -1.05 0.14 119.26 123.26 3ias h ALA 148 Ca 0.03 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3ias h ALA 148 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ias h ALA 148 CO -0.25 -0.27 -0.40 0.82 0.00 0.00 0.00 179.25 179.15 3ias h ILE 149 N 0.61 1.30 0.01 0.00 2.04 -0.16 -1.27 117.51 120.05 3ias h ILE 149 Ca 0.59 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3ias h ILE 149 Cb 1.13 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3ias h ILE 149 CO -0.37 0.43 -0.01 0.11 0.00 0.00 0.00 178.15 178.32 3ias h LYS 150 N 0.14 -0.02 -0.34 2.37 1.57 0.50 -1.14 116.57 119.66 3ias h LYS 150 Ca 0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3ias h LYS 150 Cb 0.77 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.00 3ias h LYS 150 CO 0.06 0.58 -0.27 0.93 -0.57 0.00 0.00 179.45 180.17 3ias h GLU 151 N -0.62 -0.23 -0.10 3.15 5.08 -1.05 0.10 114.58 120.92 3ias h GLU 151 Ca -0.00 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3ias h GLU 151 Cb 0.60 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3ias h GLU 151 CO 0.00 -0.15 -0.18 0.00 -1.00 0.00 0.00 179.01 177.68 3ias h ALA 152 N 0.84 1.51 -0.29 3.43 0.00 -1.29 -1.67 119.26 121.78 3ias h ALA 152 Ca 0.16 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3ias h ALA 152 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ias h ALA 152 CO -0.47 0.35 -0.36 -0.09 0.00 0.00 0.00 179.25 178.68 3ias h ARG 153 N 0.15 0.65 0.00 0.00 2.43 -0.10 -0.06 114.38 117.46 3ias h ARG 153 Ca 0.03 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3ias h ARG 153 Cb 0.42 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3ias h ARG 153 CO 0.03 0.91 0.00 0.00 -1.51 0.00 0.00 179.97 179.40 3ias n ALA 154 N -2.51 0.00 0.00 2.80 0.00 0.25 -3.53 120.51 117.52 3ias n ALA 154 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ias n ALA 154 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3ias n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ias n ARG 155 N -0.37 0.00 -0.66 0.00 5.12 -0.92 -4.66 116.66 115.17 3ias n ARG 155 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3ias n ARG 155 Cb 0.00 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3ias n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ias n GLY 156 N -0.49 0.61 0.04 -0.13 0.00 -1.17 -4.92 105.19 99.14 3ias n GLY 156 Ca 0.00 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.66 3ias n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 157 N -2.66 0.00 -4.04 1.61 4.01 -0.10 -4.43 117.16 111.54 3ias n TYR 157 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 3ias n TYR 157 Cb 0.00 -0.30 -0.14 0.00 -0.31 0.00 0.00 39.34 38.59 3ias n TYR 157 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ias s LEU 158 N -2.72 1.97 0.00 7.72 1.43 -0.82 -4.93 118.68 121.33 3ias s LEU 158 Ca 0.22 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3ias s LEU 158 Cb 0.19 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.25 3ias s LEU 158 CO 0.52 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.75 3ias n GLY 159 N 3.05 0.32 0.00 -3.19 0.00 0.52 -4.64 105.19 101.24 3ias n GLY 159 Ca -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3ias n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ias n LYS 160 N 0.00 0.00 -2.74 1.61 2.85 -1.26 -3.42 118.16 115.20 3ias n LYS 160 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 3ias n LYS 160 Cb 0.00 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.40 3ias n LYS 160 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3ias s ASN 161 N 0.00 -0.95 0.26 -5.58 3.84 -1.26 -4.58 114.94 106.66 3ias s ASN 161 Ca 0.00 -1.11 -0.30 0.00 0.21 0.00 0.00 52.86 51.66 3ias s ASN 161 Cb 0.00 1.24 -0.14 0.00 -0.55 0.00 0.00 41.25 41.80 3ias s ASN 161 CO 0.00 -0.04 1.12 0.18 -2.79 0.00 0.00 177.10 175.57 3ias n LEU 162 N 2.85 2.00 -2.51 3.21 4.77 -0.56 -2.78 117.00 123.98 3ias n LEU 162 Ca 0.15 1.17 -0.09 0.00 -0.03 0.00 0.00 56.01 57.21 3ias n LEU 162 Cb 0.60 -1.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.38 3ias n LEU 162 CO -0.06 -1.20 -0.10 0.49 -1.33 0.00 0.00 177.39 175.19 3ias n PHE 163 N 0.76 -1.61 0.00 -1.77 3.01 -1.26 -0.13 117.46 116.46 3ias n PHE 163 Ca 0.11 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.59 3ias n PHE 163 Cb 0.30 -2.22 0.00 0.00 -0.01 0.00 0.00 39.48 37.55 3ias n PHE 163 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ias n GLY 164 N -0.73 1.89 3.76 1.37 0.00 -1.12 -4.95 105.19 105.42 3ias n GLY 164 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3ias n GLY 164 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ias s THR 165 N -0.84 3.64 0.00 2.61 -1.32 0.81 -4.91 115.64 115.64 3ias s THR 165 Ca 0.00 1.57 0.00 0.00 -1.21 0.00 0.00 61.69 62.05 3ias s THR 165 Cb 0.00 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 67.02 3ias s THR 165 CO 0.00 0.32 0.92 -0.90 -2.21 0.00 0.00 174.62 172.75 3ias n ASP 166 N 1.00 2.52 -4.31 8.08 5.75 -1.26 -3.71 116.55 124.62 3ias n ASP 166 Ca -0.00 -1.57 -0.32 0.00 -0.01 0.00 0.00 54.79 52.89 3ias n ASP 166 Cb 0.46 -0.51 -0.16 0.00 -1.03 0.00 0.00 41.12 39.88 3ias n ASP 166 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3ias s PHE 167 N 0.82 2.59 0.12 2.11 5.36 -1.26 -5.03 117.98 122.68 3ias s PHE 167 Ca 0.00 -0.70 0.09 0.00 -0.96 0.00 0.00 56.93 55.36 3ias s PHE 167 Cb 0.00 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.96 3ias s PHE 167 CO 0.00 -0.21 -0.19 -1.12 -1.46 0.00 0.00 175.22 172.24 3ias s SER 168 N -0.01 3.84 -0.30 6.13 0.01 -1.26 -1.50 113.70 120.61 3ias s SER 168 Ca -0.07 -0.58 -0.10 0.00 1.31 0.00 0.00 55.95 56.52 3ias s SER 168 Cb -0.15 -0.51 0.16 0.00 0.21 0.00 0.00 66.02 65.73 3ias s SER 168 CO 0.05 0.18 0.79 0.12 0.41 0.00 0.00 173.24 174.78 3ias s PHE 169 N -1.15 -1.11 0.26 2.43 5.36 -1.22 -4.44 117.98 118.12 3ias s PHE 169 Ca 0.18 1.63 0.12 0.00 -0.96 0.00 0.00 56.93 57.89 3ias s PHE 169 Cb -0.10 0.56 -0.05 0.00 -0.34 0.00 0.00 43.02 43.08 3ias s PHE 169 CO 0.10 -0.58 -0.20 0.34 -1.46 0.00 0.00 175.22 173.42 3ias s ASP 170 N 2.77 3.53 0.07 6.13 -1.08 -1.13 -0.36 116.67 126.59 3ias s ASP 170 Ca 0.02 -1.00 0.08 0.00 -0.52 0.00 0.00 52.55 51.13 3ias s ASP 170 Cb -0.11 -0.29 -0.03 0.00 -1.46 0.00 0.00 42.92 41.04 3ias s ASP 170 CO -0.18 0.05 -0.22 -0.76 0.52 0.00 0.00 175.17 174.58 3ias s LEU 171 N -3.37 2.21 0.01 -1.34 1.02 -1.26 -1.57 118.68 114.38 3ias s LEU 171 Ca 0.28 -0.59 0.03 0.00 0.02 0.00 0.00 54.13 53.87 3ias s LEU 171 Cb -0.05 -1.01 -0.01 0.00 0.02 0.00 0.00 46.19 45.14 3ias s LEU 171 CO 0.14 0.15 -0.10 -1.00 0.02 0.00 0.00 176.35 175.56 3ias s HIS 172 N -0.91 0.86 -0.24 0.29 3.76 -0.90 -5.00 115.29 113.15 3ias s HIS 172 Ca 0.08 -0.24 -0.08 0.00 -0.15 0.00 0.00 55.06 54.67 3ias s HIS 172 Cb -0.09 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 3ias s HIS 172 CO 0.03 -0.01 0.08 0.08 -0.85 0.00 0.00 174.74 174.07 3ias s VAL 173 N -0.51 4.51 -0.27 -0.90 1.01 -1.26 -1.28 120.40 121.69 3ias s VAL 173 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 3ias s VAL 173 Cb -0.05 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.25 3ias s VAL 173 CO 0.00 0.35 0.02 -2.28 0.00 0.00 0.00 175.10 173.19 3ias s HIS 174 N 1.40 3.11 0.13 5.22 5.04 -0.31 -4.96 115.29 124.92 3ias s HIS 174 Ca 0.05 -1.22 -0.27 0.00 -1.54 0.00 0.00 55.06 52.09 3ias s HIS 174 Cb -0.15 -2.17 -0.07 0.00 0.04 0.00 0.00 32.58 30.23 3ias s HIS 174 CO 0.04 -0.64 0.83 1.03 -2.34 0.00 0.00 174.74 173.66 3ias s ARG 175 N 1.43 4.61 0.00 2.88 0.52 -1.26 -1.97 118.95 125.15 3ias s ARG 175 Ca 0.02 1.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 3ias s ARG 175 Cb -0.17 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 31.99 3ias s ARG 175 CO -0.00 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.14 3ias n GLY 176 N 1.93 -0.13 1.59 -3.53 0.00 0.26 -4.85 105.19 100.46 3ias n GLY 176 Ca -0.03 -1.74 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 3ias n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 177 N -3.00 2.95 -1.38 4.61 0.00 -1.26 -3.35 120.51 119.08 3ias n ALA 177 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.78 3ias n ALA 177 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3ias n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 178 N -0.01 -2.35 3.15 0.00 0.00 -1.26 -4.93 105.19 99.78 3ias n GLY 178 Ca -0.09 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.72 3ias n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 179 N -0.12 -3.64 0.34 4.61 0.00 -1.26 -5.04 121.76 116.64 3ias s ALA 179 Ca 0.00 1.33 0.13 0.00 0.00 0.00 0.00 51.96 53.42 3ias s ALA 179 Cb 0.00 -2.72 1.06 0.00 0.00 0.00 0.00 23.12 21.46 3ias s ALA 179 CO 0.00 -1.94 1.62 -0.92 0.00 0.00 0.00 175.76 174.52 3ias h TYR 180 N 7.51 0.64 -0.02 0.00 3.20 -1.90 0.16 116.97 126.56 3ias h TYR 180 Ca -0.09 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.83 3ias h TYR 180 Cb 1.18 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 3ias h TYR 180 CO -0.03 -0.32 0.03 0.97 -1.64 0.00 0.00 178.16 177.16 3ias h ILE 181 N 0.15 0.57 0.00 1.81 6.09 -1.94 -1.42 117.51 122.76 3ias h ILE 181 Ca 0.72 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.21 3ias h ILE 181 Cb 1.70 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.97 3ias h ILE 181 CO -0.72 0.00 0.03 0.00 -3.07 0.00 0.00 178.15 174.39 3ias h GLY 183 N 0.00 0.00 -5.09 0.00 0.00 -1.46 -3.15 103.07 93.38 3ias h GLY 183 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3ias h GLY 183 CO 0.00 0.00 0.99 1.85 0.00 0.00 0.00 176.54 179.38 3ias s GLU 184 N -3.20 4.22 0.22 4.80 -6.30 -0.27 -4.88 118.70 113.28 3ias s GLU 184 Ca 0.06 2.11 -0.17 0.00 -2.50 0.00 0.00 54.97 54.46 3ias s GLU 184 Cb 0.11 -3.79 0.22 0.00 0.00 0.00 0.00 34.13 30.67 3ias s GLU 184 CO 0.70 -0.74 1.58 1.05 0.02 0.00 0.00 175.26 177.87 3ias h GLU 185 N 8.74 -0.07 0.00 4.30 4.11 -1.88 0.18 114.58 129.96 3ias h GLU 185 Ca -0.38 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.00 3ias h GLU 185 Cb 1.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3ias h GLU 185 CO 0.94 -0.05 -0.23 0.00 0.07 0.00 0.00 179.01 179.74 3ias h THR 186 N -0.07 1.08 -0.05 -1.06 1.03 -1.94 -2.76 112.91 109.13 3ias h THR 186 Ca 0.31 -0.82 -0.05 0.00 -0.01 0.00 0.00 66.41 65.84 3ias h THR 186 Cb 0.58 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.11 3ias h THR 186 CO -0.82 0.23 -0.16 0.00 -0.01 0.00 0.00 175.52 174.76 3ias h ALA 187 N 1.77 0.09 -0.84 0.00 0.00 -0.97 -3.28 119.26 116.02 3ias h ALA 187 Ca -0.00 -0.37 0.16 0.00 0.00 0.00 0.00 54.91 54.70 3ias h ALA 187 Cb 0.44 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.06 3ias h ALA 187 CO 0.03 0.01 -0.26 1.25 0.00 0.00 0.00 179.25 180.28 3ias h LEU 188 N -0.32 -0.96 -0.60 0.00 6.46 -0.66 -0.30 115.31 118.92 3ias h LEU 188 Ca -0.00 0.26 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 3ias h LEU 188 Cb 0.77 0.58 -0.07 0.00 -0.73 0.00 0.00 40.66 41.21 3ias h LEU 188 CO 0.03 -0.29 0.21 0.24 -0.62 0.00 0.00 178.44 178.02 3ias h MET 189 N -0.02 0.37 -0.60 1.25 2.86 -1.58 -0.71 114.93 116.50 3ias h MET 189 Ca 0.38 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.92 3ias h MET 189 Cb 0.61 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3ias h MET 189 CO -0.87 0.24 0.09 -0.91 1.06 0.00 0.00 176.91 176.52 3ias h ASN 190 N 0.38 0.96 0.56 1.22 4.21 -1.18 0.25 115.58 121.99 3ias h ASN 190 Ca 0.31 -0.27 -0.03 0.00 1.21 0.00 0.00 56.30 57.52 3ias h ASN 190 Cb 0.39 -0.26 0.01 0.00 -1.12 0.00 0.00 38.32 37.34 3ias h ASN 190 CO -0.32 0.99 -0.27 -1.28 -1.29 0.00 0.00 177.43 175.26 3ias h SER 191 N 0.90 -0.64 -0.47 5.81 0.87 -0.53 -0.48 113.55 119.01 3ias h SER 191 Ca 0.18 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3ias h SER 191 Cb 0.44 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 3ias h SER 191 CO 0.01 -0.42 0.28 0.25 -0.53 0.00 0.00 176.83 176.43 3ias h LEU 192 N -0.82 0.45 -0.57 2.23 6.46 -1.18 -2.68 115.31 119.21 3ias h LEU 192 Ca -0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 3ias h LEU 192 Cb 0.60 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 3ias h LEU 192 CO 0.13 0.32 0.01 1.21 -0.62 0.00 0.00 178.44 179.49 3ias n GLU 193 N -4.82 0.06 0.00 1.25 2.13 0.89 -4.80 120.64 115.34 3ias n GLU 193 Ca 0.03 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3ias n GLU 193 Cb 0.07 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.09 3ias n GLU 193 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 194 N -1.41 1.15 3.89 8.31 0.00 -0.97 -5.04 105.19 111.11 3ias n GLY 194 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ias n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ias s LEU 195 N 0.00 2.67 0.39 0.99 1.43 -0.22 -5.04 118.68 118.90 3ias s LEU 195 Ca 0.00 -1.28 -0.26 0.00 -1.03 0.00 0.00 54.13 51.56 3ias s LEU 195 Cb 0.00 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 44.98 3ias s LEU 195 CO 0.00 -1.08 1.24 -0.13 0.23 0.00 0.00 176.35 176.61 3ias s ARG 196 N -4.24 4.08 0.00 1.70 0.52 -1.26 -4.24 118.95 115.51 3ias s ARG 196 Ca 0.32 2.01 -0.03 0.00 -0.52 0.00 0.00 55.73 57.51 3ias s ARG 196 Cb -0.02 -2.78 -0.13 0.00 0.52 0.00 0.00 34.95 32.54 3ias s ARG 196 CO 0.20 -0.35 2.15 0.00 0.02 0.00 0.00 175.30 177.32 3ias n ALA 197 N 0.24 4.03 -2.25 2.13 0.00 -1.26 -4.59 120.51 118.81 3ias n ALA 197 Ca 0.03 -0.86 -0.38 0.00 0.00 0.00 0.00 53.44 52.23 3ias n ALA 197 Cb 0.45 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 3ias n ALA 197 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ias s ASN 198 N 2.29 7.06 0.75 0.00 0.02 -1.26 -4.77 114.94 119.03 3ias s ASN 198 Ca 0.32 1.28 -0.11 0.00 -1.02 0.00 0.00 52.86 53.32 3ias s ASN 198 Cb 0.15 -2.36 0.05 0.00 0.02 0.00 0.00 41.25 39.10 3ias s ASN 198 CO 0.00 0.24 1.10 -2.16 0.02 0.00 0.00 177.10 176.29 3ias s PRO 199 N -1.26 2.34 0.39 -0.60 0.04 -1.26 -4.42 135.00 130.22 3ias s PRO 199 Ca 0.31 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.65 3ias s PRO 199 Cb -0.19 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3ias s PRO 199 CO 0.20 -1.59 0.44 1.03 0.04 0.00 0.00 177.00 177.12 3ias s ARG 200 N -4.74 2.77 -0.15 4.56 0.52 -1.26 -4.91 118.95 115.74 3ias s ARG 200 Ca 0.62 -1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 3ias s ARG 200 Cb -0.18 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 3ias s ARG 200 CO 0.53 -0.12 1.65 -1.17 0.02 0.00 0.00 175.30 176.21 3ias s LEU 201 N -4.19 4.06 0.00 2.53 2.96 -1.26 -4.90 118.68 117.88 3ias s LEU 201 Ca 0.49 1.90 0.27 0.00 -0.22 0.00 0.00 54.13 56.56 3ias s LEU 201 Cb -0.07 -3.53 0.89 0.00 0.50 0.00 0.00 46.19 43.98 3ias s LEU 201 CO 0.30 -1.14 1.68 0.29 -1.32 0.00 0.00 176.35 176.16 3ias n LYS 202 N 7.46 0.02 -0.34 1.98 5.02 -1.26 -3.63 118.16 127.41 3ias n LYS 202 Ca 0.19 -0.01 0.22 0.00 -2.02 0.00 0.00 58.31 56.69 3ias n LYS 202 Cb 0.44 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.40 3ias n LYS 202 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3ias h PRO 203 N 0.01 0.38 -4.23 1.97 0.11 -2.04 -3.16 132.00 125.05 3ias h PRO 203 Ca 0.00 -0.02 -0.75 0.00 0.11 0.00 0.00 66.00 65.34 3ias h PRO 203 Cb 0.50 -0.09 -0.23 0.00 0.11 0.00 0.00 31.00 31.29 3ias h PRO 203 CO 0.00 0.25 0.14 -1.25 -0.21 0.00 0.00 178.00 176.93 3ias s PRO 204 N -5.69 3.36 0.79 1.05 0.04 -1.24 -5.08 135.00 128.22 3ias s PRO 204 Ca -0.10 -1.97 -0.13 0.00 0.04 0.00 0.00 61.00 58.84 3ias s PRO 204 Cb 0.29 -4.44 0.07 0.00 0.04 0.00 0.00 34.50 30.47 3ias s PRO 204 CO 0.79 -1.42 1.16 -0.06 0.04 0.00 0.00 177.00 177.51 3ias s PHE 205 N 1.34 2.07 0.27 0.56 0.08 -1.19 -4.75 117.98 116.37 3ias s PHE 205 Ca 0.16 1.65 -0.00 0.00 0.12 0.00 0.00 56.93 58.85 3ias s PHE 205 Cb -0.16 -3.32 0.39 0.00 -0.57 0.00 0.00 43.02 39.35 3ias s PHE 205 CO -0.03 -2.42 1.77 -1.00 -0.10 0.00 0.00 175.22 173.43 3ias h PRO 206 N -0.91 0.70 -0.49 0.24 0.13 -1.87 -0.42 132.00 129.38 3ias h PRO 206 Ca -0.45 -0.19 0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3ias h PRO 206 Cb 1.27 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3ias h PRO 206 CO 0.48 0.75 0.34 0.00 -0.23 0.00 0.00 178.00 179.33 3ias h ALA 207 N 1.30 2.15 -0.01 -0.56 0.00 -1.91 -2.44 119.26 117.79 3ias h ALA 207 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ias h ALA 207 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ias h ALA 207 CO 0.02 -0.27 -0.34 1.04 0.00 0.00 0.00 179.25 179.70 3ias n GLN 208 N -4.45 2.42 -2.93 0.00 3.00 -1.00 -3.88 117.38 110.54 3ias n GLN 208 Ca 0.08 -0.44 -0.01 0.00 -0.01 0.00 0.00 57.00 56.62 3ias n GLN 208 Cb 0.39 -1.10 0.00 0.00 0.00 0.00 0.00 30.24 29.54 3ias n GLN 208 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3ias s SER 209 N -1.70 -1.21 0.00 1.08 0.15 -0.20 -4.28 113.70 107.54 3ias s SER 209 Ca 0.08 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.74 3ias s SER 209 Cb 0.09 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 3ias s SER 209 CO 0.35 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.31 3ias n GLY 210 N 3.60 1.09 3.57 9.45 0.00 -0.33 -4.32 105.19 118.26 3ias n GLY 210 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 3ias n GLY 210 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ias n LEU 211 N 0.00 3.01 -2.76 0.99 7.94 -1.21 -1.18 117.00 123.79 3ias n LEU 211 Ca 0.00 0.40 -0.18 0.00 -1.11 0.00 0.00 56.01 55.12 3ias n LEU 211 Cb 0.00 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.50 3ias n LEU 211 CO 0.00 -0.57 -0.12 0.79 -1.11 0.00 0.00 177.39 176.38 3ias n TRP 212 N 10.31 -1.55 -0.04 1.96 8.01 -1.26 -2.20 117.44 132.66 3ias n TRP 212 Ca 0.32 0.20 0.00 0.00 -1.31 0.00 0.00 57.50 56.71 3ias n TRP 212 Cb 0.36 -3.22 0.00 0.00 -2.01 0.00 0.00 31.31 26.44 3ias n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ias n GLY 213 N -1.04 0.95 3.86 6.99 0.00 -0.32 -5.04 105.19 110.60 3ias n GLY 213 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3ias n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias s LYS 214 N -0.67 3.81 -0.38 1.61 -0.14 -0.93 -4.35 119.74 118.69 3ias s LYS 214 Ca 0.00 0.24 -0.32 0.00 -1.36 0.00 0.00 55.97 54.54 3ias s LYS 214 Cb 0.00 -2.97 -0.10 0.00 -1.68 0.00 0.00 37.83 33.08 3ias s LYS 214 CO 0.00 0.54 2.27 -2.30 -0.76 0.00 0.00 175.35 175.09 3ias n PRO 215 N 0.85 1.24 -4.44 -1.68 -0.02 -1.26 -1.19 135.00 128.50 3ias n PRO 215 Ca -0.07 0.29 -0.23 0.00 -2.02 0.00 0.00 63.50 61.47 3ias n PRO 215 Cb 0.52 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.14 3ias n PRO 215 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ias s THR 216 N 8.46 2.30 0.06 3.45 -4.23 -0.98 -2.62 115.64 122.08 3ias s THR 216 Ca 1.07 -2.36 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 3ias s THR 216 Cb -0.64 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 3ias s THR 216 CO 0.42 -0.45 -0.14 0.28 -0.54 0.00 0.00 174.62 174.19 3ias s THR 217 N -2.62 1.12 -0.10 3.99 -1.32 -0.82 -3.14 115.64 112.76 3ias s THR 217 Ca 0.28 -1.17 0.01 0.00 -1.21 0.00 0.00 61.69 59.60 3ias s THR 217 Cb -0.04 -1.05 0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3ias s THR 217 CO 0.13 -0.12 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.68 3ias s ILE 218 N -1.08 1.19 0.09 5.08 1.01 -1.26 -1.95 121.20 124.27 3ias s ILE 218 Ca -0.00 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3ias s ILE 218 Cb -0.09 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 3ias s ILE 218 CO 0.02 0.38 -0.10 0.20 0.00 0.00 0.00 174.94 175.45 3ias s ASN 219 N 1.21 1.33 0.43 3.58 -0.87 -0.94 -5.00 114.94 114.67 3ias s ASN 219 Ca -0.04 -0.77 -0.18 0.00 -1.57 0.00 0.00 52.86 50.31 3ias s ASN 219 Cb -0.14 0.02 -0.09 0.00 -0.02 0.00 0.00 41.25 41.01 3ias s ASN 219 CO -0.03 -0.26 0.90 0.21 -2.57 0.00 0.00 177.10 175.35 3ias s ASN 220 N -2.30 6.78 0.15 -1.22 3.84 -1.26 -1.30 114.94 119.63 3ias s ASN 220 Ca 0.03 1.52 -0.27 0.00 0.21 0.00 0.00 52.86 54.35 3ias s ASN 220 Cb -0.04 -2.48 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 3ias s ASN 220 CO -0.00 -0.39 1.41 0.52 -2.79 0.00 0.00 177.10 175.84 3ias n VAL 221 N -0.89 -0.61 -0.32 -5.21 0.31 -1.26 -0.60 118.33 109.75 3ias n VAL 221 Ca 0.06 2.21 0.02 0.00 -0.01 0.00 0.00 64.34 66.61 3ias n VAL 221 Cb 0.54 -2.74 0.19 0.00 -0.91 0.00 0.00 33.84 30.92 3ias n VAL 221 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ias h GLU 222 N 0.00 1.11 0.28 5.55 4.81 -1.93 -0.77 114.58 123.63 3ias h GLU 222 Ca 0.16 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ias h GLU 222 Cb 0.39 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3ias h GLU 222 CO -0.86 0.74 -0.14 1.15 -0.73 0.00 0.00 179.01 179.17 3ias h THR 223 N 1.15 0.74 -0.24 0.32 2.02 -1.18 -0.76 112.91 114.96 3ias h THR 223 Ca 0.38 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.40 3ias h THR 223 Cb 0.06 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3ias h THR 223 CO -0.12 0.02 -0.10 -0.07 0.37 0.00 0.00 175.52 175.62 3ias h LEU 224 N -0.43 0.37 -0.64 2.58 3.38 -0.85 -2.44 115.31 117.28 3ias h LEU 224 Ca -0.04 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3ias h LEU 224 Cb 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ias h LEU 224 CO 0.06 0.51 -0.67 0.00 0.09 0.00 0.00 178.44 178.43 3ias h ALA 225 N 1.53 0.87 0.00 1.53 0.00 -1.02 -2.52 119.26 119.66 3ias h ALA 225 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ias h ALA 225 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ias h ALA 225 CO 0.02 0.82 0.00 0.77 0.00 0.00 0.00 179.25 180.86 3ias h SER 226 N 0.03 0.00 0.63 0.00 0.02 -0.65 -2.95 113.55 110.63 3ias h SER 226 Ca -0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3ias h SER 226 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3ias h SER 226 CO 0.09 0.00 -0.29 0.58 -1.14 0.00 0.00 176.83 176.07 3ias h VAL 227 N 0.00 0.85 0.54 2.27 2.07 -1.19 -2.97 116.25 117.81 3ias h VAL 227 Ca 0.00 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3ias h VAL 227 Cb 0.42 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3ias h VAL 227 CO 0.00 0.29 -0.26 0.58 0.02 0.00 0.00 177.57 178.20 3ias h VAL 228 N 0.00 0.35 0.00 2.57 2.07 -1.64 -2.38 116.25 117.23 3ias h VAL 228 Ca -0.00 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3ias h VAL 228 Cb 0.69 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3ias h VAL 228 CO 0.04 0.05 -0.13 1.55 0.02 0.00 0.00 177.57 179.09 3ias h PRO 229 N -0.97 0.00 -0.33 1.57 0.13 -1.73 -1.90 132.00 128.77 3ias h PRO 229 Ca -0.07 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.91 3ias h PRO 229 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3ias h PRO 229 CO 0.12 0.13 -0.40 0.82 -0.23 0.00 0.00 178.00 178.44 3ias h ILE 230 N 0.00 1.28 0.00 -3.56 2.04 -1.46 -1.86 117.51 113.95 3ias h ILE 230 Ca -0.00 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 3ias h ILE 230 Cb 0.37 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3ias h ILE 230 CO 0.02 0.52 -0.05 0.24 0.00 0.00 0.00 178.15 178.88 3ias h MET 231 N 0.65 0.00 0.00 2.37 2.86 -1.08 -3.31 114.93 116.41 3ias h MET 231 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3ias h MET 231 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3ias h MET 231 CO 0.09 0.05 0.00 -1.91 1.06 0.00 0.00 176.91 176.20 3ias n GLU 232 N -3.12 0.00 -3.06 1.72 2.13 -0.75 -4.73 120.64 112.83 3ias n GLU 232 Ca 0.03 0.05 -0.41 0.00 0.66 0.00 0.00 57.16 57.48 3ias n GLU 232 Cb 0.48 -0.54 -0.06 0.00 0.27 0.00 0.00 31.44 31.59 3ias n GLU 232 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3ias s ARG 233 N -0.10 3.87 0.22 5.31 1.70 -0.74 -5.01 118.95 124.21 3ias s ARG 233 Ca 0.00 0.33 -0.05 0.00 -0.47 0.00 0.00 55.73 55.54 3ias s ARG 233 Cb 0.00 -3.74 -0.04 0.00 -0.57 0.00 0.00 34.95 30.59 3ias s ARG 233 CO 0.00 -0.64 -0.14 0.41 -1.08 0.00 0.00 175.30 173.85 3ias n GLY 234 N 4.41 -1.13 0.40 3.88 0.00 -1.26 -4.43 105.19 107.07 3ias n GLY 234 Ca 0.00 -0.14 0.20 0.00 0.00 0.00 0.00 46.02 46.08 3ias n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 235 N -0.15 2.12 0.00 4.61 0.00 -1.83 0.37 119.26 124.37 3ias h ALA 235 Ca -0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3ias h ALA 235 Cb 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ias h ALA 235 CO 0.09 -0.77 -0.49 -0.44 0.00 0.00 0.00 179.25 177.65 3ias h ASP 236 N 0.00 0.00 -0.34 0.00 3.32 -1.92 -0.97 116.42 116.51 3ias h ASP 236 Ca 0.20 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 3ias h ASP 236 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3ias h ASP 236 CO -0.00 0.49 -0.23 -0.25 -1.72 0.00 0.00 179.24 177.52 3ias h TRP 237 N 0.00 0.90 -0.03 4.55 7.01 -0.47 -2.42 115.95 125.49 3ias h TRP 237 Ca -0.00 -0.24 0.01 0.00 2.11 0.00 0.00 58.89 60.76 3ias h TRP 237 Cb 0.93 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 3ias h TRP 237 CO 0.00 0.99 -0.02 0.35 -2.79 0.00 0.00 178.44 176.97 3ias h PHE 238 N 0.54 -0.05 0.00 2.65 3.57 -1.45 -3.13 116.94 119.08 3ias h PHE 238 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3ias h PHE 238 Cb 0.79 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 3ias h PHE 238 CO 0.06 -0.04 -0.07 0.00 -2.23 0.00 0.00 178.31 176.04 3ias h ALA 239 N 1.00 1.08 0.00 2.41 0.00 -1.13 -2.49 119.26 120.13 3ias h ALA 239 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ias h ALA 239 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ias h ALA 239 CO -0.05 0.09 0.00 0.94 0.00 0.00 0.00 179.25 180.23 3ias n GLN 240 N -3.29 0.70 -3.99 0.00 7.27 -0.92 -4.62 117.38 112.53 3ias n GLN 240 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.84 3ias n GLN 240 Cb 0.27 -1.14 -0.17 0.00 2.41 0.00 0.00 30.24 31.61 3ias n GLN 240 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3ias s MET 241 N -1.60 0.85 0.00 3.69 1.75 -0.94 -2.18 119.30 120.87 3ias s MET 241 Ca 0.00 -0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.39 3ias s MET 241 Cb 0.00 -1.00 0.00 0.00 2.84 0.00 0.00 34.83 36.67 3ias s MET 241 CO 0.00 -0.19 0.00 0.41 -0.65 0.00 0.00 175.02 174.59 3ias n GLY 242 N 4.58 -0.42 0.08 2.11 0.00 -0.44 -1.17 105.19 109.93 3ias n GLY 242 Ca -0.16 -2.20 -0.00 0.00 0.00 0.00 0.00 46.02 43.65 3ias n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ias n THR 243 N 0.00 0.00 0.24 2.61 -1.04 -0.93 -4.75 114.28 110.41 3ias n THR 243 Ca 0.00 -0.03 0.12 0.00 -2.04 0.00 0.00 64.05 62.10 3ias n THR 243 Cb 0.00 -1.28 0.53 0.00 -1.82 0.00 0.00 70.33 67.76 3ias n THR 243 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3ias h GLU 244 N 0.00 0.00 0.00 -2.82 4.81 -1.98 -3.27 114.58 111.31 3ias h GLU 244 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3ias h GLU 244 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ias h GLU 244 CO 0.01 0.15 0.00 1.04 -0.73 0.00 0.00 179.01 179.48 3ias n GLN 245 N -3.31 0.55 -3.75 1.92 6.02 -1.26 -4.88 117.38 112.67 3ias n GLN 245 Ca 0.00 -0.21 -0.28 0.00 -0.01 0.00 0.00 57.00 56.50 3ias n GLN 245 Cb 0.39 -0.66 -0.11 0.00 1.02 0.00 0.00 30.24 30.88 3ias n GLN 245 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ias n SER 246 N -0.14 3.24 -4.80 1.08 7.64 -1.23 -4.87 113.62 114.54 3ias n SER 246 Ca 0.00 -3.28 -0.37 0.00 1.01 0.00 0.00 58.87 56.23 3ias n SER 246 Cb 0.08 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 3ias n SER 246 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3ias s LYS 247 N -1.79 4.40 0.00 1.43 -0.14 -1.26 -2.19 119.74 120.20 3ias s LYS 247 Ca 0.30 1.05 0.00 0.00 -1.36 0.00 0.00 55.97 55.96 3ias s LYS 247 Cb 0.02 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3ias s LYS 247 CO -0.12 0.39 0.00 0.41 -0.76 0.00 0.00 175.35 175.27 3ias n GLY 248 N 0.80 -0.84 3.77 -3.33 0.00 -0.31 -4.66 105.19 100.61 3ias n GLY 248 Ca -0.02 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 3ias n GLY 248 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ias s MET 249 N -0.57 3.16 0.07 1.61 0.23 -1.26 -1.22 119.30 121.32 3ias s MET 249 Ca 0.00 -0.32 0.08 0.00 -1.03 0.00 0.00 55.69 54.43 3ias s MET 249 Cb 0.00 -2.95 -0.03 0.00 -1.53 0.00 0.00 34.83 30.32 3ias s MET 249 CO 0.00 0.72 -0.20 0.21 -2.03 0.00 0.00 175.02 173.73 3ias s LYS 250 N -1.06 1.90 -0.47 3.16 2.47 0.17 -4.80 119.74 121.11 3ias s LYS 250 Ca 0.15 -1.08 -0.21 0.00 -1.56 0.00 0.00 55.97 53.27 3ias s LYS 250 Cb -0.12 -2.12 0.03 0.00 -1.46 0.00 0.00 37.83 34.17 3ias s LYS 250 CO 0.05 0.51 0.70 -0.51 0.16 0.00 0.00 175.35 176.26 3ias s LEU 251 N -1.66 4.51 0.07 5.43 1.02 -1.26 -0.83 118.68 125.95 3ias s LEU 251 Ca 0.15 -0.43 -0.05 0.00 0.02 0.00 0.00 54.13 53.83 3ias s LEU 251 Cb -0.10 -2.72 -0.05 0.00 0.02 0.00 0.00 46.19 43.34 3ias s LEU 251 CO 0.06 -0.88 0.31 -0.31 0.02 0.00 0.00 176.35 175.55 3ias s TYR 252 N 3.00 3.53 -0.02 0.29 2.02 -0.76 -4.74 117.35 120.66 3ias s TYR 252 Ca 0.23 0.52 0.01 0.00 -0.37 0.00 0.00 57.07 57.46 3ias s TYR 252 Cb -0.15 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 3ias s TYR 252 CO 0.18 0.54 -0.04 1.14 -1.57 0.00 0.00 175.55 175.79 3ias s GLN 253 N -2.24 0.57 -0.00 -0.62 0.00 -0.82 0.19 119.66 116.73 3ias s GLN 253 Ca 0.34 -0.13 0.07 0.00 -0.00 0.00 0.00 55.36 55.65 3ias s GLN 253 Cb -0.13 -0.59 -0.02 0.00 0.00 0.00 0.00 33.01 32.27 3ias s GLN 253 CO 0.22 0.01 -0.23 -1.50 0.00 0.00 0.00 175.29 173.79 3ias s ILE 254 N 0.42 1.80 0.22 3.63 2.07 -0.95 0.67 121.20 129.05 3ias s ILE 254 Ca -0.05 -1.03 -0.04 0.00 -1.41 0.00 0.00 60.65 58.12 3ias s ILE 254 Cb -0.09 -1.50 -0.03 0.00 0.13 0.00 0.00 42.46 40.97 3ias s ILE 254 CO -0.00 0.45 0.22 -0.94 -1.91 0.00 0.00 174.94 172.76 3ias s SER 255 N -0.68 0.15 0.00 4.50 1.04 -0.55 -1.23 113.70 116.92 3ias s SER 255 Ca 0.09 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3ias s SER 255 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3ias s SER 255 CO -0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3ias n GLY 256 N -0.31 -1.71 3.29 7.32 0.00 -1.26 -2.23 105.19 110.29 3ias n GLY 256 Ca 0.01 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 3ias n GLY 256 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ias n PRO 257 N 0.00 1.65 -4.20 1.61 -0.02 -1.26 -4.85 135.00 127.92 3ias n PRO 257 Ca 0.00 -2.16 -0.14 0.00 -2.02 0.00 0.00 63.50 59.18 3ias n PRO 257 Cb 0.00 -3.25 -0.11 0.00 -0.02 0.00 0.00 33.50 30.12 3ias n PRO 257 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ias s VAL 258 N 7.17 1.02 0.09 -1.45 0.11 -1.26 -2.18 120.40 123.89 3ias s VAL 258 Ca 0.61 -1.79 -0.30 0.00 -2.93 0.00 0.00 61.98 57.57 3ias s VAL 258 Cb 0.08 -1.54 -0.13 0.00 -1.53 0.00 0.00 36.38 33.26 3ias s VAL 258 CO 0.12 -0.63 1.63 0.50 -3.33 0.00 0.00 175.10 173.39 3ias h LYS 259 N 3.29 -0.63 -3.17 1.54 3.64 -1.30 -3.37 116.57 116.57 3ias h LYS 259 Ca -0.37 0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.47 3ias h LYS 259 Cb 1.19 0.14 -0.40 0.00 -0.41 0.00 0.00 32.23 32.75 3ias h LYS 259 CO 0.57 -0.42 -0.77 -0.98 -2.27 0.00 0.00 179.45 175.58 3ias s ARG 260 N -6.04 0.82 1.12 1.90 1.70 0.11 -5.02 118.95 113.53 3ias s ARG 260 Ca -0.16 -1.35 -0.18 0.00 -0.47 0.00 0.00 55.73 53.56 3ias s ARG 260 Cb 0.06 -1.92 0.26 0.00 -0.57 0.00 0.00 34.95 32.78 3ias s ARG 260 CO 0.64 -1.08 1.18 -1.25 -1.08 0.00 0.00 175.30 173.71 3ias s PRO 261 N 1.19 -0.62 0.00 3.89 0.04 -1.26 -4.27 135.00 133.97 3ias s PRO 261 Ca 0.13 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.98 3ias s PRO 261 Cb -0.20 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3ias s PRO 261 CO -0.14 -3.29 0.00 0.41 0.04 0.00 0.00 177.00 174.02 3ias n GLY 262 N -1.92 0.52 3.82 0.56 0.00 -0.36 -4.98 105.19 102.84 3ias n GLY 262 Ca 0.14 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 3ias n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ias s VAL 263 N -0.53 4.57 -0.17 1.61 1.01 -1.26 -2.25 120.40 123.39 3ias s VAL 263 Ca 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 3ias s VAL 263 Cb 0.00 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.69 3ias s VAL 263 CO 0.00 0.03 0.18 -0.31 0.00 0.00 0.00 175.10 175.00 3ias s TYR 264 N -1.73 -0.15 0.16 5.22 1.51 0.13 -4.98 117.35 117.51 3ias s TYR 264 Ca 0.49 0.21 -0.31 0.00 -1.01 0.00 0.00 57.07 56.45 3ias s TYR 264 Cb -0.14 -0.40 -0.09 0.00 -0.11 0.00 0.00 41.96 41.22 3ias s TYR 264 CO 0.19 -0.50 1.45 -2.00 -1.11 0.00 0.00 175.55 173.58 3ias s GLU 265 N 2.28 4.29 0.07 -0.62 2.12 -1.26 -1.83 118.70 123.74 3ias s GLU 265 Ca 0.05 2.20 -0.15 0.00 0.36 0.00 0.00 54.97 57.44 3ias s GLU 265 Cb -0.15 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.08 3ias s GLU 265 CO -0.10 -0.47 0.34 -0.51 -0.54 0.00 0.00 175.26 173.98 3ias s LEU 266 N 0.72 0.73 0.07 2.70 1.43 -0.01 -4.94 118.68 119.37 3ias s LEU 266 Ca 0.64 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.21 3ias s LEU 266 Cb -0.40 1.52 -0.05 0.00 0.03 0.00 0.00 46.19 47.29 3ias s LEU 266 CO 0.34 -0.70 1.08 -2.16 0.23 0.00 0.00 176.35 175.14 3ias s PRO 267 N -3.00 4.53 -0.14 1.29 0.04 -1.26 0.44 135.00 136.90 3ias s PRO 267 Ca -0.02 1.61 -0.40 0.00 0.04 0.00 0.00 61.00 62.23 3ias s PRO 267 Cb 0.01 -3.38 -0.17 0.00 0.04 0.00 0.00 34.50 30.99 3ias s PRO 267 CO -0.06 -0.08 1.46 -0.12 0.04 0.00 0.00 177.00 178.24 3ias n MET 268 N 3.52 0.76 0.00 4.56 1.56 -0.36 -1.66 117.12 125.50 3ias n MET 268 Ca 0.06 0.28 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 3ias n MET 268 Cb 0.48 -1.88 0.00 0.00 2.15 0.00 0.00 33.22 33.97 3ias n MET 268 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3ias n GLY 269 N 3.10 2.11 3.66 -5.12 0.00 -0.94 -3.63 105.19 104.37 3ias n GLY 269 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3ias n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ias n THR 270 N -0.40 3.02 -2.54 2.61 -2.24 -0.66 -3.72 114.28 110.34 3ias n THR 270 Ca 0.00 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 3ias n THR 270 Cb 0.00 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 66.98 3ias n THR 270 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ias s THR 271 N -1.82 4.27 0.27 4.28 -4.23 -1.26 -2.08 115.64 115.07 3ias s THR 271 Ca 0.75 1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 62.51 3ias s THR 271 Cb -0.34 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.19 3ias s THR 271 CO 0.48 -0.45 1.87 -0.26 -0.54 0.00 0.00 174.62 175.73 3ias h PHE 272 N 1.35 1.19 -0.36 3.99 -1.00 -1.37 -2.38 116.94 118.35 3ias h PHE 272 Ca -0.48 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.36 3ias h PHE 272 Cb 1.19 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 40.33 3ias h PHE 272 CO 0.61 0.59 0.17 -0.09 -1.61 0.00 0.00 178.31 177.98 3ias h ARG 273 N 1.14 0.34 -0.20 1.51 2.43 -0.66 0.23 114.38 119.17 3ias h ARG 273 Ca 0.45 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.64 3ias h ARG 273 Cb 0.24 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3ias h ARG 273 CO -0.19 0.22 -0.05 1.49 -1.51 0.00 0.00 179.97 179.93 3ias h GLU 274 N 0.35 0.00 0.32 0.20 4.81 -1.70 0.26 114.58 118.82 3ias h GLU 274 Ca 0.16 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3ias h GLU 274 Cb 0.08 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3ias h GLU 274 CO -0.12 0.00 -0.15 1.25 -0.73 0.00 0.00 179.01 179.25 3ias h LEU 275 N 0.00 -0.37 -1.90 1.64 6.46 -1.12 0.16 115.31 120.19 3ias h LEU 275 Ca 0.10 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3ias h LEU 275 Cb 0.15 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3ias h LEU 275 CO -0.21 -0.08 0.01 0.40 -0.62 0.00 0.00 178.44 177.94 3ias h ILE 276 N -0.67 1.03 0.00 4.05 2.04 -0.37 -1.95 117.51 121.65 3ias h ILE 276 Ca -0.04 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3ias h ILE 276 Cb 0.47 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3ias h ILE 276 CO 0.07 0.04 -0.51 -1.22 0.00 0.00 0.00 178.15 176.53 3ias n TYR 277 N -4.50 0.00 0.21 1.37 4.01 0.91 -0.54 117.16 118.62 3ias n TYR 277 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 3ias n TYR 277 Cb 0.11 -0.24 -0.07 0.00 -0.31 0.00 0.00 39.34 38.82 3ias n TYR 277 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ias h GLU 278 N -0.48 -0.66 0.00 -0.72 4.39 -0.79 0.20 114.58 116.51 3ias h GLU 278 Ca -0.01 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3ias h GLU 278 Cb 0.50 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3ias h GLU 278 CO -0.00 -0.44 -0.47 -1.49 -1.16 0.00 0.00 179.01 175.44 3ias h TRP 279 N -0.69 0.00 0.00 4.33 4.06 -1.58 -3.36 115.95 118.70 3ias h TRP 279 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 3ias h TRP 279 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 3ias h TRP 279 CO -0.19 0.82 0.00 0.00 -3.56 0.00 0.00 178.44 175.51 3ias h ALA 280 N -0.48 1.00 -0.11 1.49 0.00 -1.48 -3.45 119.26 116.22 3ias h ALA 280 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 280 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3ias h ALA 280 CO -0.07 0.00 -0.04 0.41 0.00 0.00 0.00 179.25 179.55 3ias n GLY 281 N 0.50 0.53 0.68 0.00 0.00 0.05 0.06 105.19 107.00 3ias n GLY 281 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 45.10 3ias n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 282 N -2.63 -3.24 3.45 -0.02 0.00 0.30 -4.44 105.19 98.61 3ias n GLY 282 Ca -0.02 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 3ias n GLY 282 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ias n PRO 283 N -2.33 -2.32 -0.00 1.61 -0.02 -1.26 -1.76 135.00 128.92 3ias n PRO 283 Ca -0.01 -0.65 0.02 0.00 -2.02 0.00 0.00 63.50 60.84 3ias n PRO 283 Cb 0.24 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3ias n PRO 283 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ias n LEU 284 N -4.53 0.11 -4.76 2.45 4.77 -0.93 -4.63 117.00 109.48 3ias n LEU 284 Ca 0.03 -0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.43 3ias n LEU 284 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3ias n LEU 284 CO 0.56 0.03 -0.24 -1.61 -1.33 0.00 0.00 177.39 174.80 3ias s GLU 285 N -1.90 2.20 0.21 3.23 0.41 -1.26 -5.10 118.70 116.50 3ias s GLU 285 Ca -0.00 -2.42 -0.25 0.00 -0.41 0.00 0.00 54.97 51.89 3ias s GLU 285 Cb 0.03 -1.42 -0.08 0.00 -1.78 0.00 0.00 34.13 30.88 3ias s GLU 285 CO 0.20 -0.42 0.81 -2.14 -0.49 0.00 0.00 175.26 173.22 3ias s PRO 286 N -3.88 4.56 0.10 0.39 0.02 -1.26 -5.04 135.00 129.89 3ias s PRO 286 Ca 0.03 1.18 0.04 0.00 0.02 0.00 0.00 61.00 62.27 3ias s PRO 286 Cb 0.00 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 3ias s PRO 286 CO 0.02 0.49 0.06 0.42 -0.33 0.00 0.00 177.00 177.66 3ias s ILE 287 N -1.29 4.31 -0.01 2.83 1.09 -1.26 -1.94 121.20 124.93 3ias s ILE 287 Ca 0.40 -0.93 0.01 0.00 -1.10 0.00 0.00 60.65 59.03 3ias s ILE 287 Cb -0.22 -3.10 -0.02 0.00 -1.06 0.00 0.00 42.46 38.07 3ias s ILE 287 CO 0.26 0.07 0.01 0.00 -0.10 0.00 0.00 174.94 175.18 3ias n GLN 288 N 0.31 2.21 -3.47 2.79 10.64 0.47 -4.68 117.38 125.66 3ias n GLN 288 Ca -0.09 -0.01 -0.14 0.00 -1.83 0.00 0.00 57.00 54.93 3ias n GLN 288 Cb 0.52 -1.03 -0.03 0.00 -0.86 0.00 0.00 30.24 28.84 3ias n GLN 288 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ias s ALA 289 N -2.06 -1.61 -0.05 2.61 0.00 -1.16 -0.88 121.76 118.61 3ias s ALA 289 Ca -0.01 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.67 3ias s ALA 289 Cb 0.01 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.74 3ias s ALA 289 CO 0.05 -0.63 -0.01 0.96 0.00 0.00 0.00 175.76 176.13 3ias s ILE 290 N -2.92 0.35 -0.60 0.00 -4.36 0.11 -0.56 121.20 113.21 3ias s ILE 290 Ca -0.03 0.05 -0.23 0.00 -0.26 0.00 0.00 60.65 60.18 3ias s ILE 290 Cb -0.01 -0.45 0.05 0.00 1.25 0.00 0.00 42.46 43.30 3ias s ILE 290 CO -0.06 0.22 0.96 -0.63 0.24 0.00 0.00 174.94 175.67 3ias s ILE 291 N 1.42 4.34 0.04 8.37 1.01 -0.34 -1.82 121.20 134.22 3ias s ILE 291 Ca -0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.37 3ias s ILE 291 Cb -0.13 -4.61 -0.13 0.00 0.01 0.00 0.00 42.46 37.60 3ias s ILE 291 CO -0.03 -1.28 1.33 1.55 0.00 0.00 0.00 174.94 176.51 3ias h PRO 292 N 9.44 -0.83 0.00 2.79 0.13 -1.86 -1.68 132.00 139.99 3ias h PRO 292 Ca -0.27 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3ias h PRO 292 Cb 1.07 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3ias h PRO 292 CO 1.13 -0.55 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 3ias n GLY 293 N -1.35 1.07 0.00 1.56 0.00 -1.23 -3.17 105.19 102.08 3ias n GLY 293 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3ias n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 294 N 5.00 0.82 0.08 -0.02 0.00 -1.26 -1.05 105.19 108.76 3ias n GLY 294 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3ias n GLY 294 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ias h SER 295 N 0.00 0.00 0.00 1.61 0.87 -1.81 -3.34 113.55 110.88 3ias h SER 295 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ias h SER 295 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3ias h SER 295 CO 0.00 0.87 0.00 -1.20 -0.53 0.00 0.00 176.83 175.97 3ias n SER 296 N -3.05 0.09 -4.65 6.23 7.64 -1.26 -4.70 113.62 113.92 3ias n SER 296 Ca -0.12 -1.38 -0.34 0.00 1.01 0.00 0.00 58.87 58.04 3ias n SER 296 Cb 0.97 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 64.03 3ias n SER 296 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ias s THR 297 N -1.87 4.12 0.19 0.44 -4.23 -1.26 -4.70 115.64 108.34 3ias s THR 297 Ca 0.00 -0.34 -0.31 0.00 -1.18 0.00 0.00 61.69 59.86 3ias s THR 297 Cb 0.00 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 3ias s THR 297 CO 0.00 0.59 1.58 -2.84 -0.54 0.00 0.00 174.62 173.41 3ias s PRO 298 N -0.91 4.20 0.71 3.99 0.02 -1.26 -4.64 135.00 137.10 3ias s PRO 298 Ca 0.13 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.42 3ias s PRO 298 Cb -0.11 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.31 3ias s PRO 298 CO 0.03 -0.61 1.17 -1.25 -0.33 0.00 0.00 177.00 176.01 3ias s PRO 299 N 0.81 2.36 0.11 5.54 0.04 -1.26 -4.61 135.00 137.98 3ias s PRO 299 Ca 0.69 1.61 0.08 0.00 0.04 0.00 0.00 61.00 63.42 3ias s PRO 299 Cb -0.45 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3ias s PRO 299 CO 0.34 -1.64 -0.20 -0.51 0.04 0.00 0.00 177.00 175.03 3ias s LEU 300 N -5.08 2.32 0.56 -3.56 1.43 -0.75 -4.81 118.68 108.78 3ias s LEU 300 Ca 0.71 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 3ias s LEU 300 Cb -0.26 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 3ias s LEU 300 CO 0.44 0.04 1.03 -2.84 0.23 0.00 0.00 176.35 175.25 3ias s PRO 301 N -2.03 3.60 -1.50 1.29 0.02 -1.26 0.04 135.00 135.15 3ias s PRO 301 Ca 0.07 1.10 -0.09 0.00 0.02 0.00 0.00 61.00 62.11 3ias s PRO 301 Cb -0.09 -2.08 -0.00 0.00 0.02 0.00 0.00 34.50 32.35 3ias s PRO 301 CO 0.04 -0.57 2.66 0.34 -0.33 0.00 0.00 177.00 179.15 3ias n PHE 302 N -1.80 2.62 -3.23 6.54 7.35 -0.06 -4.71 117.46 124.17 3ias n PHE 302 Ca 0.08 -2.99 -0.19 0.00 -0.76 0.00 0.00 57.45 53.59 3ias n PHE 302 Cb 0.53 -2.28 0.00 0.00 0.35 0.00 0.00 39.48 38.09 3ias n PHE 302 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ias s THR 303 N 1.21 3.71 0.10 -2.13 -4.23 -1.26 -4.95 115.64 108.09 3ias s THR 303 Ca 0.61 -0.90 -0.27 0.00 -1.18 0.00 0.00 61.69 59.96 3ias s THR 303 Cb 0.17 -3.29 -0.12 0.00 1.34 0.00 0.00 72.50 70.60 3ias s THR 303 CO -0.07 -0.13 1.67 -0.33 -0.54 0.00 0.00 174.62 175.21 3ias h GLU 304 N 0.70 -0.40 0.00 3.99 4.39 -2.00 -2.30 114.58 118.96 3ias h GLU 304 Ca -0.44 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3ias h GLU 304 Cb 1.26 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3ias h GLU 304 CO 0.52 -0.27 0.06 1.49 -1.16 0.00 0.00 179.01 179.65 3ias h GLU 305 N -0.41 0.00 0.02 2.33 4.81 -1.96 -1.70 114.58 117.67 3ias h GLU 305 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3ias h GLU 305 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3ias h GLU 305 CO -0.05 0.00 -0.57 0.28 -0.73 0.00 0.00 179.01 177.94 3ias h VAL 306 N 0.00 1.44 -0.56 0.32 2.07 -1.77 -3.26 116.25 114.49 3ias h VAL 306 Ca 0.00 -2.31 0.16 0.00 0.82 0.00 0.00 66.70 65.37 3ias h VAL 306 Cb 0.12 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3ias h VAL 306 CO 0.00 0.53 0.40 -0.07 0.02 0.00 0.00 177.57 178.45 3ias h LEU 307 N -0.90 0.01 -2.85 2.57 3.38 -0.83 -1.37 115.31 115.33 3ias h LEU 307 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ias h LEU 307 Cb 1.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3ias h LEU 307 CO -0.05 0.01 0.00 0.47 0.09 0.00 0.00 178.44 178.96 3ias n ASP 308 N -4.38 4.39 -4.83 -0.43 8.00 -0.71 0.09 116.55 118.68 3ias n ASP 308 Ca 0.10 -2.45 -0.36 0.00 0.71 0.00 0.00 54.79 52.79 3ias n ASP 308 Cb 0.62 -0.56 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 3ias n ASP 308 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ias s THR 309 N -1.91 4.76 -0.10 -3.53 2.01 -0.52 -4.91 115.64 111.44 3ias s THR 309 Ca 0.46 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 63.19 3ias s THR 309 Cb 0.30 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 3ias s THR 309 CO 0.21 0.32 1.14 -2.84 -0.69 0.00 0.00 174.62 172.76 3ias s PRO 310 N -1.74 4.35 -1.01 4.92 0.02 -1.26 -2.62 135.00 137.65 3ias s PRO 310 Ca 0.37 1.57 -0.24 0.00 0.02 0.00 0.00 61.00 62.72 3ias s PRO 310 Cb -0.17 -3.59 -0.05 0.00 0.02 0.00 0.00 34.50 30.72 3ias s PRO 310 CO 0.20 -0.46 1.89 -1.64 -0.33 0.00 0.00 177.00 176.66 3ias s MET 311 N 2.42 2.68 0.16 5.54 -1.94 -0.88 -4.21 119.30 123.07 3ias s MET 311 Ca 0.53 -0.67 -0.03 0.00 -1.71 0.00 0.00 55.69 53.80 3ias s MET 311 Cb -0.22 -5.16 -0.03 0.00 2.01 0.00 0.00 34.83 31.43 3ias s MET 311 CO 0.19 -3.41 0.15 -1.54 -0.01 0.00 0.00 175.02 170.39 3ias s SER 312 N 7.20 0.19 0.00 3.03 1.04 -1.26 -2.21 113.70 121.69 3ias s SER 312 Ca 0.67 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3ias s SER 312 Cb -0.04 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3ias s SER 312 CO 0.03 -0.81 0.76 -1.22 0.98 0.00 0.00 173.24 172.97 3ias n TYR 313 N -0.18 0.00 0.01 5.02 4.01 -1.26 -2.62 117.16 122.14 3ias n TYR 313 Ca -0.04 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 3ias n TYR 313 Cb 0.64 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3ias n TYR 313 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3ias n GLU 314 N 0.68 0.00 0.18 -0.72 0.28 -1.26 -4.68 120.64 115.12 3ias n GLU 314 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 3ias n GLU 314 Cb 0.37 0.00 0.34 0.00 1.43 0.00 0.00 31.44 33.58 3ias n GLU 314 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3ias h HIS 315 N 0.00 0.00 0.11 -1.84 3.86 -1.78 -0.36 115.15 115.14 3ias h HIS 315 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 3ias h HIS 315 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3ias h HIS 315 CO 0.00 0.41 -1.50 -0.07 0.86 0.00 0.00 177.93 177.63 3ias h LEU 316 N 0.00 0.35 0.00 2.43 3.38 -1.67 -3.29 115.31 116.52 3ias h LEU 316 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ias h LEU 316 Cb 0.77 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ias h LEU 316 CO 0.05 1.40 -0.00 -0.61 0.09 0.00 0.00 178.44 179.37 3ias h GLN 317 N 0.06 -0.01 -1.00 1.13 5.75 -1.53 -2.12 115.11 117.39 3ias h GLN 317 Ca -0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 3ias h GLN 317 Cb 2.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.55 3ias h GLN 317 CO 0.16 -0.01 0.00 0.00 -2.65 0.00 0.00 178.83 176.33 3ias n ALA 318 N -2.36 2.16 -0.12 3.38 0.00 -0.21 -1.91 120.51 121.44 3ias n ALA 318 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3ias n ALA 318 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.46 3ias n ALA 318 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ias n LYS 319 N 0.39 2.76 0.00 0.00 3.00 -0.83 -4.99 118.16 118.49 3ias n LYS 319 Ca 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 3ias n LYS 319 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 35.03 34.29 3ias n LYS 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 320 N -0.55 3.04 0.00 3.14 0.00 -0.80 -5.00 105.19 105.02 3ias n GLY 320 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3ias n GLY 320 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ias n SER 321 N 0.69 0.00 -3.64 1.61 2.88 -1.02 -4.89 113.62 109.25 3ias n SER 321 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3ias n SER 321 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 3ias n SER 321 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ias s MET 322 N 3.98 0.07 -0.51 -1.46 0.23 -1.24 -4.15 119.30 116.20 3ias s MET 322 Ca 0.00 0.03 -0.21 0.00 -1.03 0.00 0.00 55.69 54.48 3ias s MET 322 Cb 0.00 0.03 0.05 0.00 -1.53 0.00 0.00 34.83 33.38 3ias s MET 322 CO 0.00 -0.02 0.75 -1.17 -2.03 0.00 0.00 175.02 172.55 3ias s LEU 323 N -0.79 4.59 0.00 0.18 0.20 -1.26 -3.56 118.68 118.03 3ias s LEU 323 Ca 0.08 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.27 3ias s LEU 323 Cb -0.02 -2.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.11 3ias s LEU 323 CO -0.09 -1.00 0.00 0.61 -0.29 0.00 0.00 176.35 175.57 3ias n GLY 324 N 5.13 1.85 1.64 7.98 0.00 -1.26 -4.68 105.19 115.86 3ias n GLY 324 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3ias n GLY 324 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ias n THR 325 N 0.00 2.03 -1.33 2.61 -2.24 -1.26 -3.81 114.28 110.28 3ias n THR 325 Ca 0.00 -1.19 -0.11 0.00 -2.27 0.00 0.00 64.05 60.47 3ias n THR 325 Cb 0.00 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 3ias n THR 325 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 326 N 0.96 1.10 3.42 3.38 0.00 -1.25 -4.70 105.19 108.10 3ias n GLY 326 Ca 0.25 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 3ias n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 327 N 0.17 3.64 3.75 -0.02 0.00 -0.21 -1.95 105.19 110.56 3ias n GLY 327 Ca -0.11 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.34 3ias n GLY 327 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ias s VAL 328 N 0.71 2.05 -0.07 1.61 1.01 0.21 -4.53 120.40 121.39 3ias s VAL 328 Ca 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 3ias s VAL 328 Cb -0.05 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.34 3ias s VAL 328 CO -0.02 -0.00 -0.02 -0.63 0.00 0.00 0.00 175.10 174.43 3ias s ILE 329 N -1.32 0.49 0.21 2.22 1.01 -0.63 -1.48 121.20 121.69 3ias s ILE 329 Ca 0.74 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.28 3ias s ILE 329 Cb -0.40 -0.61 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 3ias s ILE 329 CO 0.46 0.27 0.62 -0.76 0.00 0.00 0.00 174.94 175.53 3ias s LEU 330 N 1.79 4.26 -0.11 2.97 1.43 -0.95 -1.20 118.68 126.87 3ias s LEU 330 Ca 0.03 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3ias s LEU 330 Cb -0.13 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.57 3ias s LEU 330 CO -0.05 0.00 -0.12 -0.63 0.23 0.00 0.00 176.35 175.79 3ias s ILE 331 N -1.63 1.28 0.43 -0.59 1.01 0.28 -4.42 121.20 117.55 3ias s ILE 331 Ca 0.43 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 3ias s ILE 331 Cb -0.14 -1.21 -0.09 0.00 0.01 0.00 0.00 42.46 41.02 3ias s ILE 331 CO 0.20 0.40 1.01 -2.16 0.00 0.00 0.00 174.94 174.39 3ias s PRO 332 N 1.30 4.12 0.26 2.79 0.04 -1.26 -0.40 135.00 141.85 3ias s PRO 332 Ca -0.01 1.34 0.20 0.00 0.04 0.00 0.00 61.00 62.57 3ias s PRO 332 Cb -0.14 -2.33 0.99 0.00 0.04 0.00 0.00 34.50 33.05 3ias s PRO 332 CO -0.05 -0.15 1.62 0.39 0.04 0.00 0.00 177.00 178.85 3ias n GLU 333 N -0.43 0.14 0.00 4.56 1.02 -0.82 -2.22 120.64 122.89 3ias n GLU 333 Ca 0.07 0.53 0.12 0.00 -0.02 0.00 0.00 57.16 57.86 3ias n GLU 333 Cb 0.52 -1.87 0.59 0.00 -0.02 0.00 0.00 31.44 30.65 3ias n GLU 333 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3ias n ARG 334 N -2.16 0.17 -4.77 3.49 0.63 -1.26 -4.66 116.66 108.09 3ias n ARG 334 Ca 0.00 0.06 -0.26 0.00 -0.92 0.00 0.00 57.85 56.73 3ias n ARG 334 Cb 0.11 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.35 3ias n ARG 334 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ias s VAL 335 N -2.81 1.37 0.17 5.15 1.01 -0.94 -4.57 120.40 119.78 3ias s VAL 335 Ca 0.18 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 3ias s VAL 335 Cb 0.17 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 3ias s VAL 335 CO 0.43 0.40 1.38 -0.55 0.00 0.00 0.00 175.10 176.76 3ias s SER 336 N 0.34 6.81 0.44 3.32 0.15 -1.26 -4.81 113.70 118.69 3ias s SER 336 Ca -0.10 2.43 0.21 0.00 0.70 0.00 0.00 55.95 59.18 3ias s SER 336 Cb -0.14 -2.60 1.18 0.00 -1.71 0.00 0.00 66.02 62.75 3ias s SER 336 CO 0.04 -0.62 1.86 0.24 1.20 0.00 0.00 173.24 175.96 3ias h MET 337 N 5.96 0.30 -0.02 5.44 2.86 -1.94 0.13 114.93 127.67 3ias h MET 337 Ca -0.44 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3ias h MET 337 Cb 1.21 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 3ias h MET 337 CO 0.82 0.20 0.00 0.28 1.06 0.00 0.00 176.91 179.27 3ias h VAL 338 N 0.31 1.16 -1.00 -2.22 2.07 -1.90 -2.00 116.25 112.67 3ias h VAL 338 Ca 0.46 -0.47 0.26 0.00 0.82 0.00 0.00 66.70 67.77 3ias h VAL 338 Cb 1.30 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 3ias h VAL 338 CO -0.15 0.12 0.67 -0.78 0.02 0.00 0.00 177.57 177.46 3ias h ASP 339 N -0.17 0.33 -0.09 0.57 3.58 -1.15 0.55 116.42 120.04 3ias h ASP 339 Ca 0.00 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 3ias h ASP 339 Cb 0.20 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3ias h ASP 339 CO -0.00 0.09 -0.33 0.00 -2.88 0.00 0.00 179.24 176.11 3ias h ALA 340 N 1.58 0.16 -0.29 -0.78 0.00 -0.94 -2.76 119.26 116.23 3ias h ALA 340 Ca 0.53 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3ias h ALA 340 Cb 1.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3ias h ALA 340 CO -0.19 0.22 -0.53 0.52 0.00 0.00 0.00 179.25 179.27 3ias h MET 341 N -0.08 0.88 -0.90 0.00 2.86 -0.47 -1.96 114.93 115.26 3ias h MET 341 Ca -0.02 -0.55 0.19 0.00 -2.06 0.00 0.00 59.70 57.26 3ias h MET 341 Cb 0.97 0.06 -0.17 0.00 0.06 0.00 0.00 31.60 32.52 3ias h MET 341 CO 0.07 1.19 -0.19 1.87 1.06 0.00 0.00 176.91 180.91 3ias n TRP 342 N -4.02 0.36 0.22 -0.22 -0.00 0.18 -0.87 117.44 113.09 3ias n TRP 342 Ca -0.04 1.09 -0.09 0.00 -0.00 0.00 0.00 57.50 58.46 3ias n TRP 342 Cb 0.62 -1.04 -0.04 0.00 -0.00 0.00 0.00 31.31 30.85 3ias n TRP 342 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 3ias h ASN 343 N 0.00 -0.50 -0.80 5.87 -0.73 -1.21 -2.63 115.58 115.58 3ias h ASN 343 Ca 0.45 0.02 0.19 0.00 1.87 0.00 0.00 56.30 58.83 3ias h ASN 343 Cb 0.72 0.13 -0.13 0.00 0.27 0.00 0.00 38.32 39.31 3ias h ASN 343 CO -0.91 -0.17 0.13 -0.07 -0.37 0.00 0.00 177.43 176.04 3ias h LEU 344 N -0.98 -0.13 -0.20 0.34 3.38 -0.73 -0.73 115.31 116.27 3ias h LEU 344 Ca -0.06 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3ias h LEU 344 Cb 0.46 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ias h LEU 344 CO 0.10 -0.13 -0.21 0.71 0.09 0.00 0.00 178.44 179.00 3ias h THR 345 N 0.19 1.33 -0.34 0.22 1.35 -1.11 -1.99 112.91 112.55 3ias h THR 345 Ca 0.46 -1.38 0.10 0.00 -0.55 0.00 0.00 66.41 65.04 3ias h THR 345 Cb 0.86 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3ias h THR 345 CO -0.62 0.42 0.29 0.08 -0.25 0.00 0.00 175.52 175.44 3ias h ARG 346 N 0.16 0.00 0.61 4.72 0.11 -0.85 0.42 114.38 119.54 3ias h ARG 346 Ca 0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.08 3ias h ARG 346 Cb 0.76 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.85 3ias h ARG 346 CO 0.05 0.00 -0.29 0.35 0.10 0.00 0.00 179.97 180.18 3ias h PHE 347 N 0.00 -0.75 -0.46 4.08 3.57 -0.58 -1.65 116.94 121.14 3ias h PHE 347 Ca 0.16 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.76 3ias h PHE 347 Cb 0.75 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3ias h PHE 347 CO 0.00 -0.47 0.32 1.88 -2.23 0.00 0.00 178.31 177.81 3ias h TYR 348 N -0.95 0.14 -0.47 0.41 0.05 -0.43 0.28 116.97 115.99 3ias h TYR 348 Ca -0.08 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.62 3ias h TYR 348 Cb 0.62 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 3ias h TYR 348 CO 0.05 0.06 -0.01 0.00 -1.05 0.00 0.00 178.16 177.21 3ias h ALA 349 N 1.77 0.64 -0.00 3.88 0.00 -0.18 -0.47 119.26 124.89 3ias h ALA 349 Ca 0.22 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3ias h ALA 349 Cb 0.70 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3ias h ALA 349 CO -0.03 0.46 -0.78 1.25 0.00 0.00 0.00 179.25 180.15 3ias h HIS 350 N 0.70 0.10 -0.02 0.00 -0.00 0.03 -3.26 115.15 112.70 3ias h HIS 350 Ca 0.13 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3ias h HIS 350 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 3ias h HIS 350 CO 0.04 0.81 -0.00 0.39 -0.00 0.00 0.00 177.93 179.17 3ias n GLU 351 N -3.66 1.66 -2.09 5.26 -0.58 0.77 -4.93 120.64 117.07 3ias n GLU 351 Ca -0.02 -0.97 -0.35 0.00 -0.42 0.00 0.00 57.16 55.40 3ias n GLU 351 Cb 0.74 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 30.15 3ias n GLU 351 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3ias s SER 352 N -2.01 5.42 -0.01 1.62 0.15 -0.22 -4.37 113.70 114.28 3ias s SER 352 Ca 0.38 2.23 0.03 0.00 0.70 0.00 0.00 55.95 59.29 3ias s SER 352 Cb 0.21 -2.58 -0.25 0.00 -1.71 0.00 0.00 66.02 61.69 3ias s SER 352 CO 0.34 -1.43 0.79 0.00 1.20 0.00 0.00 173.24 174.14 3ias n GLY 354 N 1.62 1.53 0.13 0.00 0.00 -1.26 -5.02 105.19 102.20 3ias n GLY 354 Ca -0.16 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 3ias n GLY 354 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ias n LYS 355 N -0.71 0.67 -3.10 1.61 4.81 -1.26 -4.97 118.16 115.22 3ias n LYS 355 Ca 0.00 0.24 -0.39 0.00 -0.87 0.00 0.00 58.31 57.29 3ias n LYS 355 Cb 0.07 -1.60 -0.06 0.00 0.02 0.00 0.00 35.03 33.46 3ias n LYS 355 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ias h THR 357 N 3.85 0.66 -0.32 0.00 2.02 -1.98 -0.00 112.91 117.14 3ias h THR 357 Ca -0.46 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.81 3ias h THR 357 Cb 1.21 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3ias h THR 357 CO 0.68 0.00 0.33 1.55 0.37 0.00 0.00 175.52 178.45 3ias h PRO 358 N -0.45 0.00 0.00 6.66 0.13 -1.94 -1.21 132.00 135.18 3ias h PRO 358 Ca -0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.75 3ias h PRO 358 Cb 0.35 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.43 3ias h PRO 358 CO 0.06 0.00 -2.10 0.00 -0.23 0.00 0.00 178.00 175.73 3ias h ARG 360 N -0.77 -0.28 0.06 0.00 2.43 -0.92 -1.84 114.38 113.06 3ias h ARG 360 Ca -0.51 0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.38 3ias h ARG 360 Cb 1.43 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.01 3ias h ARG 360 CO -0.31 -0.19 -1.67 0.39 -1.51 0.00 0.00 179.97 176.69 3ias n GLU 361 N -5.38 0.66 0.00 0.20 -0.58 -0.50 -3.45 120.64 111.60 3ias n GLU 361 Ca -0.02 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 3ias n GLU 361 Cb 0.29 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 3ias n GLU 361 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ias n GLY 362 N 1.71 -2.86 0.15 0.62 0.00 -0.97 -0.88 105.19 102.95 3ias n GLY 362 Ca -0.33 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3ias n GLY 362 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ias h VAL 363 N 0.00 1.39 0.00 1.61 -1.51 -1.33 -0.46 116.25 115.96 3ias h VAL 363 Ca 0.00 -1.83 0.00 0.00 -1.23 0.00 0.00 66.70 63.64 3ias h VAL 363 Cb 0.00 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3ias h VAL 363 CO 0.00 0.54 -0.16 0.00 -1.23 0.00 0.00 177.57 176.72 3ias n ALA 364 N -2.54 2.73 -0.14 5.19 0.00 -0.72 -2.07 120.51 122.95 3ias n ALA 364 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3ias n ALA 364 Cb 0.58 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3ias n ALA 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 365 N 1.50 -0.16 0.00 0.00 0.00 -0.06 -4.78 105.19 101.69 3ias n GLY 365 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ias n GLY 365 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ias n PHE 366 N -2.33 0.00 -0.09 1.61 -0.00 -0.18 -3.63 117.46 112.83 3ias n PHE 366 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 3ias n PHE 366 Cb 0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.48 39.31 3ias n PHE 366 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3ias n MET 367 N -0.95 -0.10 -0.24 -4.13 2.81 -0.22 -1.05 117.12 113.24 3ias n MET 367 Ca 0.00 0.75 0.04 0.00 -1.81 0.00 0.00 57.70 56.68 3ias n MET 367 Cb 0.00 -1.11 0.16 0.00 -0.71 0.00 0.00 33.22 31.56 3ias n MET 367 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3ias h VAL 368 N 0.00 0.55 -0.67 2.03 3.04 -1.61 -0.43 116.25 119.17 3ias h VAL 368 Ca 0.03 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3ias h VAL 368 Cb 0.09 0.25 -0.03 0.00 -2.01 0.00 0.00 31.29 29.59 3ias h VAL 368 CO -0.21 0.05 0.43 0.78 -1.01 0.00 0.00 177.57 177.61 3ias h ASN 369 N 0.28 0.78 0.61 3.17 2.35 -1.16 -2.10 115.58 119.51 3ias h ASN 369 Ca 0.39 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 3ias h ASN 369 Cb 0.64 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3ias h ASN 369 CO -0.48 0.58 -0.50 -0.07 -1.65 0.00 0.00 177.43 175.31 3ias h LEU 370 N 0.91 -1.32 -0.92 1.61 -0.00 -0.60 -0.78 115.31 114.21 3ias h LEU 370 Ca 0.24 0.09 0.25 0.00 -0.00 0.00 0.00 57.88 58.46 3ias h LEU 370 Cb -0.08 0.42 -0.14 0.00 -0.00 0.00 0.00 40.66 40.86 3ias h LEU 370 CO -0.05 -0.69 0.38 -0.26 -0.00 0.00 0.00 178.44 177.82 3ias h PHE 371 N -1.07 0.61 0.47 1.13 0.04 -1.23 0.11 116.94 116.99 3ias h PHE 371 Ca -0.08 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3ias h PHE 371 Cb 0.90 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 3ias h PHE 371 CO -0.19 -0.13 -0.31 0.00 -0.60 0.00 0.00 178.31 177.08 3ias h ALA 372 N 1.77 -0.76 -0.14 2.45 0.00 -0.66 0.42 119.26 122.33 3ias h ALA 372 Ca 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ias h ALA 372 Cb 1.21 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3ias h ALA 372 CO -0.59 -0.94 0.00 1.17 0.00 0.00 0.00 179.25 178.89 3ias n LYS 373 N -5.44 0.00 -0.11 0.00 4.81 0.12 -1.66 118.16 115.88 3ias n LYS 373 Ca -0.11 0.72 0.24 0.00 -0.87 0.00 0.00 58.31 58.29 3ias n LYS 373 Cb 0.34 -1.48 0.69 0.00 0.02 0.00 0.00 35.03 34.61 3ias n LYS 373 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 3ias h ILE 374 N 0.00 0.64 -0.43 3.15 2.10 -0.89 -0.26 117.51 121.81 3ias h ILE 374 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 3ias h ILE 374 Cb 0.00 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 36.34 3ias h ILE 374 CO 0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.15 177.69 3ias n GLY 375 N -1.67 1.17 0.44 8.18 0.00 0.15 -2.83 105.19 110.63 3ias n GLY 375 Ca 0.15 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.70 3ias n GLY 375 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ias n THR 376 N 0.89 1.60 -2.15 2.61 -1.04 -0.18 -2.69 114.28 113.32 3ias n THR 376 Ca 0.17 -1.57 -0.18 0.00 -2.04 0.00 0.00 64.05 60.43 3ias n THR 376 Cb 0.42 0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 69.00 3ias n THR 376 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 377 N -0.47 0.14 0.83 3.41 0.00 -1.13 -4.20 105.19 103.78 3ias n GLY 377 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3ias n GLY 377 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ias n GLN 378 N -2.72 2.12 -3.51 1.61 1.13 -0.80 -4.32 117.38 110.90 3ias n GLN 378 Ca -0.20 -1.66 -0.29 0.00 -1.94 0.00 0.00 57.00 52.91 3ias n GLN 378 Cb 0.64 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.49 3ias n GLN 378 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3ias s GLY 379 N -1.79 1.89 0.41 1.08 0.00 -1.21 -4.78 107.32 102.92 3ias s GLY 379 Ca 0.34 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.48 3ias s GLY 379 CO 0.30 -0.57 0.17 -0.54 0.00 0.00 0.00 173.10 172.46 3ias s GLU 380 N -3.35 2.21 0.43 2.90 8.01 -1.26 -4.53 118.70 123.11 3ias s GLU 380 Ca 0.42 -1.85 0.20 0.00 0.01 0.00 0.00 54.97 53.75 3ias s GLU 380 Cb -0.11 -1.97 1.15 0.00 -4.31 0.00 0.00 34.13 28.89 3ias s GLU 380 CO 0.29 -0.10 1.82 1.49 0.01 0.00 0.00 175.26 178.76 3ias h GLU 381 N 1.45 0.34 -0.01 1.61 4.81 -1.93 -1.35 114.58 119.50 3ias h GLU 381 Ca -0.43 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 3ias h GLU 381 Cb 1.25 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3ias h GLU 381 CO 0.70 0.22 -0.17 0.87 -0.73 0.00 0.00 179.01 179.91 3ias h LYS 382 N 0.35 -0.26 -0.68 1.92 1.57 -2.00 -2.68 116.57 114.77 3ias h LYS 382 Ca 0.53 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.48 3ias h LYS 382 Cb 1.44 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.69 3ias h LYS 382 CO -0.21 -0.17 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.05 3ias h ASP 383 N -0.27 -0.34 -0.21 0.86 3.32 -1.64 0.43 116.42 118.57 3ias h ASP 383 Ca 0.06 0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.34 3ias h ASP 383 Cb 0.34 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 3ias h ASP 383 CO -0.17 -0.15 -0.15 0.58 -1.72 0.00 0.00 179.24 177.63 3ias h VAL 384 N 0.10 0.58 -0.72 -1.35 2.07 -1.53 -1.81 116.25 113.59 3ias h VAL 384 Ca 0.36 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.02 3ias h VAL 384 Cb 0.61 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3ias h VAL 384 CO -0.60 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.14 3ias h GLU 385 N -0.14 0.43 -0.00 1.57 5.08 -0.77 -0.39 114.58 120.35 3ias h GLU 385 Ca 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3ias h GLU 385 Cb 0.33 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ias h GLU 385 CO -0.30 0.28 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.06 3ias h ASN 386 N 0.44 0.02 -0.98 1.42 2.35 -0.94 -1.36 115.58 116.53 3ias h ASN 386 Ca 0.35 -0.76 0.19 0.00 -0.55 0.00 0.00 56.30 55.53 3ias h ASN 386 Cb 0.75 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 39.01 3ias h ASN 386 CO -0.11 0.78 0.61 0.25 -1.65 0.00 0.00 177.43 177.31 3ias h LEU 387 N -0.73 0.70 -0.35 1.61 5.85 -0.99 0.41 115.31 121.81 3ias h LEU 387 Ca -0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ias h LEU 387 Cb 0.78 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3ias h LEU 387 CO 0.00 0.26 0.21 -0.08 -0.34 0.00 0.00 178.44 178.49 3ias h GLU 388 N 0.69 0.48 -0.02 1.25 4.57 -1.00 -3.15 114.58 117.40 3ias h GLU 388 Ca 0.55 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.52 3ias h GLU 388 Cb 0.95 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3ias h GLU 388 CO -0.32 0.38 -0.71 0.00 -1.18 0.00 0.00 179.01 177.17 3ias h ALA 389 N 1.08 0.76 -0.62 2.92 0.00 0.75 -3.17 119.26 120.97 3ias h ALA 389 Ca 0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3ias h ALA 389 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ias h ALA 389 CO -0.02 0.83 0.30 -0.07 0.00 0.00 0.00 179.25 180.29 3ias h LEU 390 N 0.09 0.79 -0.18 0.00 3.38 -0.35 -3.27 115.31 115.77 3ias h LEU 390 Ca -0.02 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ias h LEU 390 Cb 1.27 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 3ias h LEU 390 CO 0.10 0.67 -0.52 -0.07 0.09 0.00 0.00 178.44 178.71 3ias h LEU 391 N 0.88 -1.67 -1.04 1.67 3.38 -1.58 -0.18 115.31 116.77 3ias h LEU 391 Ca 0.22 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3ias h LEU 391 Cb 0.09 0.66 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ias h LEU 391 CO -0.03 -0.46 0.00 -0.81 0.09 0.00 0.00 178.44 177.23 3ias n PRO 392 N -5.43 0.14 0.17 1.13 -0.04 -1.23 -1.36 135.00 128.38 3ias n PRO 392 Ca -0.05 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 3ias n PRO 392 Cb 0.37 -1.87 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 3ias n PRO 392 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ias h LEU 393 N 0.00 0.00 0.00 1.53 3.38 -1.16 -3.38 115.31 115.67 3ias h LEU 393 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ias h LEU 393 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ias h LEU 393 CO 0.00 0.01 -0.43 -0.38 0.09 0.00 0.00 178.44 177.72 3ias n ILE 394 N -2.84 0.94 -0.22 1.22 5.41 -0.58 -4.66 119.36 118.63 3ias n ILE 394 Ca 0.04 0.26 -0.02 0.00 1.00 0.00 0.00 62.75 64.03 3ias n ILE 394 Cb 0.51 -1.83 -0.00 0.00 -0.71 0.00 0.00 39.64 37.61 3ias n ILE 394 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ias n GLU 395 N -3.59 -0.17 0.00 0.38 2.13 -0.46 -1.20 120.64 117.73 3ias n GLU 395 Ca -0.06 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.62 3ias n GLU 395 Cb 0.23 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.66 3ias n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 396 N -1.23 -2.90 3.14 8.31 0.00 -1.26 -4.57 105.19 106.68 3ias n GLY 396 Ca 0.04 0.33 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 3ias n GLY 396 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ias s ARG 397 N -2.65 2.45 0.00 1.61 3.00 -0.34 -5.04 118.95 117.98 3ias s ARG 397 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 55.73 54.50 3ias s ARG 397 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 34.95 31.94 3ias s ARG 397 CO 0.00 -0.55 0.00 0.43 0.00 0.00 0.00 175.30 175.18 3ias n SER 398 N 4.56 0.75 -0.10 0.23 7.64 -1.26 -4.80 113.62 120.64 3ias n SER 398 Ca -0.14 -0.45 -0.23 0.00 1.01 0.00 0.00 58.87 59.06 3ias n SER 398 Cb 0.44 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.52 3ias n SER 398 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3ias n PHE 399 N 0.00 0.38 -4.54 1.43 7.35 -1.26 -5.00 117.46 115.82 3ias n PHE 399 Ca 0.00 0.11 -0.26 0.00 -0.76 0.00 0.00 57.45 56.54 3ias n PHE 399 Cb 0.00 -1.04 -0.11 0.00 0.35 0.00 0.00 39.48 38.68 3ias n PHE 399 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ias n PRO 401 N -0.79 0.49 0.12 0.00 -0.02 -1.26 -3.64 135.00 129.90 3ias n PRO 401 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.30 3ias n PRO 401 Cb 0.64 -1.36 -0.08 0.00 -0.02 0.00 0.00 33.50 32.69 3ias n PRO 401 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ias h LEU 402 N 0.00 -0.19 -0.57 2.45 6.46 -1.99 -1.39 115.31 120.08 3ias h LEU 402 Ca 0.00 -0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.83 3ias h LEU 402 Cb 0.00 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.91 3ias h LEU 402 CO 0.00 -0.11 0.21 0.00 -0.62 0.00 0.00 178.44 177.92 3ias h ALA 403 N 0.57 0.72 -0.84 1.25 0.00 -1.98 0.27 119.26 119.26 3ias h ALA 403 Ca -0.02 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.13 3ias h ALA 403 Cb 0.20 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 3ias h ALA 403 CO 0.04 -0.20 0.40 -0.44 0.00 0.00 0.00 179.25 179.04 3ias h ASP 404 N 0.38 0.43 0.20 0.00 5.19 -1.72 0.30 116.42 121.21 3ias h ASP 404 Ca 0.29 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.77 3ias h ASP 404 Cb 0.34 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3ias h ASP 404 CO -0.29 0.14 -0.18 0.00 -3.12 0.00 0.00 179.24 175.80 3ias h ALA 405 N 1.59 1.64 0.00 3.45 0.00 0.62 -1.35 119.26 125.22 3ias h ALA 405 Ca 0.48 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 3ias h ALA 405 Cb 0.75 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3ias h ALA 405 CO -0.41 0.22 -0.95 0.00 0.00 0.00 0.00 179.25 178.11 3ias h ALA 406 N 1.82 0.57 0.05 0.00 0.00 0.67 -3.37 119.26 119.01 3ias h ALA 406 Ca -0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 54.91 53.81 3ias h ALA 406 Cb 0.32 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3ias h ALA 406 CO 0.02 0.99 -1.77 -0.39 0.00 0.00 0.00 179.25 178.10 3ias h VAL 407 N 0.00 0.82 0.69 0.00 -1.51 -0.85 -3.36 116.25 112.03 3ias h VAL 407 Ca -0.06 -2.61 -0.03 0.00 -1.23 0.00 0.00 66.70 62.77 3ias h VAL 407 Cb 1.62 2.49 -0.01 0.00 -2.13 0.00 0.00 31.29 33.26 3ias h VAL 407 CO 0.09 0.66 -0.46 -0.50 -1.23 0.00 0.00 177.57 176.12 3ias h TRP 408 N 0.03 -1.23 -0.12 5.19 6.55 -1.42 0.47 115.95 125.42 3ias h TRP 408 Ca -0.32 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.55 3ias h TRP 408 Cb 2.02 0.45 -0.00 0.00 -0.86 0.00 0.00 29.16 30.76 3ias h TRP 408 CO 0.03 -0.68 0.11 -1.00 -1.05 0.00 0.00 178.44 175.85 3ias h PRO 409 N -1.09 0.00 0.16 0.49 0.13 -1.78 0.77 132.00 130.69 3ias h PRO 409 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3ias h PRO 409 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3ias h PRO 409 CO 0.07 0.00 -0.08 0.28 -0.23 0.00 0.00 178.00 178.04 3ias h VAL 410 N 0.00 0.55 -0.97 1.56 2.07 -1.60 -0.98 116.25 116.88 3ias h VAL 410 Ca 0.06 -1.11 0.22 0.00 0.82 0.00 0.00 66.70 66.68 3ias h VAL 410 Cb 0.27 0.97 -0.18 0.00 -1.52 0.00 0.00 31.29 30.83 3ias h VAL 410 CO -0.00 0.16 -0.16 0.50 0.02 0.00 0.00 177.57 178.08 3ias h LYS 411 N -0.98 0.00 -0.60 1.57 3.64 0.74 0.33 116.57 121.28 3ias h LYS 411 Ca -0.02 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3ias h LYS 411 Cb 0.43 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3ias h LYS 411 CO 0.04 0.00 0.15 0.78 -2.27 0.00 0.00 179.45 178.15 3ias h GLY 412 N 0.00 1.02 1.64 5.01 0.00 0.50 -2.30 103.07 108.96 3ias h GLY 412 Ca 0.50 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3ias h GLY 412 CO -0.97 0.59 -0.11 1.48 0.00 0.00 0.00 176.54 177.53 3ias h SER 413 N 0.87 0.42 -0.22 0.19 4.64 0.10 -2.61 113.55 116.94 3ias h SER 413 Ca 0.19 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3ias h SER 413 Cb 0.34 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3ias h SER 413 CO 0.00 0.57 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.35 3ias h LEU 414 N 0.41 0.48 -1.61 5.97 4.07 -0.97 0.14 115.31 123.80 3ias h LEU 414 Ca 0.08 -0.41 0.19 0.00 0.08 0.00 0.00 57.88 57.82 3ias h LEU 414 Cb 0.45 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.00 3ias h LEU 414 CO 0.02 0.78 0.56 -0.09 -1.08 0.00 0.00 178.44 178.64 3ias h ARG 415 N 0.16 0.33 0.00 1.13 2.43 -1.04 -0.67 114.38 116.73 3ias h ARG 415 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3ias h ARG 415 Cb 0.61 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3ias h ARG 415 CO 0.03 0.22 -0.40 0.72 -1.51 0.00 0.00 179.97 179.04 3ias n HIS 416 N -4.47 0.00 -2.04 2.20 8.25 -1.09 -4.74 115.22 113.33 3ias n HIS 416 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3ias n HIS 416 Cb 0.67 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 3ias n HIS 416 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ias n PHE 417 N -1.20 0.00 -0.32 4.41 3.01 0.47 -4.89 117.46 118.94 3ias n PHE 417 Ca 0.01 -0.05 0.18 0.00 1.01 0.00 0.00 57.45 58.60 3ias n PHE 417 Cb 0.13 -0.02 0.37 0.00 -0.01 0.00 0.00 39.48 39.94 3ias n PHE 417 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3ias h LYS 418 N 0.09 0.26 -0.97 -1.08 3.64 -1.21 0.55 116.57 117.85 3ias h LYS 418 Ca -0.03 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3ias h LYS 418 Cb 1.41 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.09 3ias h LYS 418 CO 0.01 0.17 0.62 0.38 -2.27 0.00 0.00 179.45 178.35 3ias h ASP 419 N 0.27 0.90 0.29 4.20 2.03 -1.90 -0.44 116.42 121.77 3ias h ASP 419 Ca 0.63 0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.94 3ias h ASP 419 Cb 1.35 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3ias h ASP 419 CO -0.63 0.51 -0.12 -0.61 -1.03 0.00 0.00 179.24 177.35 3ias h GLN 420 N 0.98 0.00 0.05 4.15 4.15 -0.27 -0.87 115.11 123.30 3ias h GLN 420 Ca 0.46 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.80 3ias h GLN 420 Cb 0.42 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.12 3ias h GLN 420 CO -0.22 0.12 -0.34 1.88 -1.93 0.00 0.00 178.83 178.35 3ias h TYR 421 N 0.00 0.24 -0.03 3.99 -1.99 -1.04 -3.31 116.97 114.82 3ias h TYR 421 Ca -0.00 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.54 3ias h TYR 421 Cb 0.30 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.02 3ias h TYR 421 CO 0.00 1.11 -0.08 -0.07 -0.00 0.00 0.00 178.16 179.11 3ias h LEU 422 N -0.70 0.04 0.74 3.88 3.38 -1.13 -2.91 115.31 118.62 3ias h LEU 422 Ca -0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3ias h LEU 422 Cb 1.24 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.99 3ias h LEU 422 CO 0.06 0.14 -0.38 0.00 0.09 0.00 0.00 178.44 178.36 3ias h ALA 423 N 1.87 -1.26 -0.06 1.53 0.00 -1.26 0.37 119.26 120.45 3ias h ALA 423 Ca 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ias h ALA 423 Cb 0.18 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ias h ALA 423 CO 0.01 -1.19 0.09 -0.07 0.00 0.00 0.00 179.25 178.09 3ias h LEU 424 N -1.02 0.00 0.00 0.00 4.07 -1.63 -0.45 115.31 116.28 3ias h LEU 424 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 3ias h LEU 424 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 3ias h LEU 424 CO 0.15 0.00 -0.03 0.00 -1.08 0.00 0.00 178.44 177.48 3ias h ALA 425 N 1.87 0.00 -0.31 1.53 0.00 -1.36 -2.61 119.26 118.38 3ias h ALA 425 Ca 0.03 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ias h ALA 425 Cb 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ias h ALA 425 CO -0.00 0.03 0.50 0.00 0.00 0.00 0.00 179.25 179.78 3ias h ARG 426 N -0.49 0.00 -0.09 0.00 3.08 -0.05 -0.97 114.38 115.86 3ias h ARG 426 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ias h ARG 426 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3ias h ARG 426 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3ias n GLU 427 N -3.35 1.10 -3.79 0.04 1.02 -0.19 -5.00 120.64 110.47 3ias n GLU 427 Ca 0.05 -1.28 -0.29 0.00 -0.02 0.00 0.00 57.16 55.61 3ias n GLU 427 Cb 0.64 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.89 3ias n GLU 427 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ias n LYS 428 N 0.32 -3.53 -4.12 3.49 4.76 -0.37 -4.96 118.16 113.76 3ias n LYS 428 Ca 0.06 0.43 -0.35 0.00 -2.87 0.00 0.00 58.31 55.58 3ias n LYS 428 Cb 0.25 -5.17 -0.09 0.00 -1.84 0.00 0.00 35.03 28.17 3ias n LYS 428 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3ias s ARG 429 N -6.47 3.63 1.14 1.97 0.52 -1.01 -4.69 118.95 114.04 3ias s ARG 429 Ca 0.58 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 55.29 3ias s ARG 429 Cb -0.31 -3.08 0.26 0.00 0.52 0.00 0.00 34.95 32.34 3ias s ARG 429 CO 0.71 0.45 1.06 -1.25 0.02 0.00 0.00 175.30 176.29 3ias s PRO 430 N -0.14 -0.71 0.52 3.54 0.04 -1.26 -3.54 135.00 133.46 3ias s PRO 430 Ca 0.06 0.38 -0.21 0.00 0.04 0.00 0.00 61.00 61.28 3ias s PRO 430 Cb -0.12 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.74 3ias s PRO 430 CO 0.01 -3.46 1.15 0.14 0.04 0.00 0.00 177.00 174.88 3ias s VAL 431 N -2.79 3.09 0.44 -0.36 -7.23 -1.09 -4.81 120.40 107.63 3ias s VAL 431 Ca 0.68 0.73 -0.24 0.00 -1.81 0.00 0.00 61.98 61.33 3ias s VAL 431 Cb -0.17 -3.32 -0.08 0.00 0.56 0.00 0.00 36.38 33.37 3ias s VAL 431 CO 0.59 -0.10 1.24 -2.16 -0.31 0.00 0.00 175.10 174.36 3ias s PRO 432 N -3.08 3.83 -0.72 4.82 0.04 -1.26 -5.00 135.00 133.64 3ias s PRO 432 Ca 0.70 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.76 3ias s PRO 432 Cb -0.26 -2.58 0.28 0.00 0.04 0.00 0.00 34.50 31.98 3ias s PRO 432 CO 0.30 -0.55 0.98 0.54 0.04 0.00 0.00 177.00 178.31 3ias n ARG 433 N -0.19 3.19 -0.94 4.56 5.12 -1.26 -4.70 116.66 122.43 3ias n ARG 433 Ca 0.06 -4.71 -0.32 0.00 -1.93 0.00 0.00 57.85 50.95 3ias n ARG 433 Cb 0.46 -2.31 0.14 0.00 -1.16 0.00 0.00 32.46 29.59 3ias n ARG 433 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ias s PRO 434 N -2.89 1.47 -0.22 5.56 0.04 -1.26 -4.94 135.00 132.75 3ias s PRO 434 Ca 0.41 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.67 3ias s PRO 434 Cb 0.17 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3ias s PRO 434 CO -0.03 -2.29 0.97 0.45 0.04 0.00 0.00 177.00 176.14 3ias s SER 435 N -2.72 7.02 0.00 6.66 0.15 -1.26 -4.93 113.70 118.62 3ias s SER 435 Ca 0.67 1.28 0.03 0.00 0.70 0.00 0.00 55.95 58.63 3ias s SER 435 Cb -0.23 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3ias s SER 435 CO 0.55 -0.60 0.63 0.18 1.20 0.00 0.00 173.24 175.21 3ias n LEU 436 N 6.10 1.33 -4.10 3.45 4.32 -1.26 -5.03 117.00 121.81 3ias n LEU 436 Ca 0.10 -1.05 -0.16 0.00 -0.02 0.00 0.00 56.01 54.87 3ias n LEU 436 Cb 0.47 -0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.14 3ias n LEU 436 CO 0.50 0.30 -0.43 -1.66 -1.22 0.00 0.00 177.39 174.88 3ias s TRP 437 N -0.32 0.93 -2.98 -1.77 1.48 -1.26 -5.18 118.94 109.83 3ias s TRP 437 Ca 0.04 -0.41 0.24 0.00 -1.06 0.00 0.00 56.10 54.91 3ias s TRP 437 Cb 0.03 -0.54 0.19 0.00 -1.16 0.00 0.00 33.47 31.98 3ias s TRP 437 CO 0.04 -0.01 1.26 0.54 -4.06 0.00 0.00 176.95 174.72