#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aus n LYS 21 N 0.00 -0.05 0.02 -0.72 -0.00 -1.26 0.15 118.16 116.30 1aus n LYS 21 Ca 0.00 0.30 -0.13 0.00 -0.00 0.00 0.00 58.31 58.48 1aus n LYS 21 Cb 0.00 -0.44 -0.09 0.00 -0.00 0.00 0.00 35.03 34.50 1aus n LYS 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1aus h LEU 22 N 0.00 -0.02 -0.39 -5.58 5.85 -1.97 -2.30 115.31 110.90 1aus h LEU 22 Ca 0.07 -0.25 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 1aus h LEU 22 Cb 0.11 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1aus h LEU 22 CO -0.19 0.24 -0.80 0.74 -0.34 0.00 0.00 178.44 178.09 1aus h THR 23 N -0.28 1.47 0.00 1.05 2.02 0.86 -3.39 112.91 114.64 1aus h THR 23 Ca -0.00 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.73 1aus h THR 23 Cb 0.27 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1aus h THR 23 CO 0.00 0.71 -1.18 -1.22 0.37 0.00 0.00 175.52 174.21 1aus n TYR 24 N -3.71 0.00 -3.28 3.16 4.01 -0.34 -4.82 117.16 112.17 1aus n TYR 24 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1aus n TYR 24 Cb 0.75 -0.17 -0.08 0.00 -0.31 0.00 0.00 39.34 39.53 1aus n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1aus s TYR 25 N -2.67 3.15 -0.59 -0.72 5.04 -0.87 -0.96 117.35 119.73 1aus s TYR 25 Ca -0.00 -0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.21 1aus s TYR 25 Cb 0.10 -3.10 0.20 0.00 0.35 0.00 0.00 41.96 39.50 1aus s TYR 25 CO 0.58 -0.80 0.54 2.41 -1.34 0.00 0.00 175.55 176.94 1aus n THR 26 N 5.47 0.99 0.18 4.34 -1.04 0.81 -4.88 114.28 120.15 1aus n THR 26 Ca -0.07 -4.58 0.08 0.00 -2.04 0.00 0.00 64.05 57.44 1aus n THR 26 Cb 0.46 -2.03 0.43 0.00 -1.82 0.00 0.00 70.33 67.37 1aus n THR 26 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1aus n PRO 27 N 1.77 0.11 0.03 -2.82 -0.04 -1.26 -1.11 135.00 131.68 1aus n PRO 27 Ca 0.25 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 1aus n PRO 27 Cb 0.41 -1.82 0.25 0.00 -0.04 0.00 0.00 33.50 32.31 1aus n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1aus n GLU 28 N -2.04 0.15 -1.70 0.54 0.00 -1.26 -4.90 120.64 111.43 1aus n GLU 28 Ca -0.00 0.05 -0.44 0.00 0.00 0.00 0.00 57.16 56.77 1aus n GLU 28 Cb 0.06 -1.60 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 1aus n GLU 28 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1aus n TYR 29 N -1.83 2.53 -3.62 -1.84 9.36 -0.27 -4.99 117.16 116.51 1aus n TYR 29 Ca 0.05 0.18 -0.39 0.00 3.32 0.00 0.00 57.90 61.06 1aus n TYR 29 Cb 0.39 -2.60 -0.11 0.00 -0.63 0.00 0.00 39.34 36.39 1aus n TYR 29 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1aus s GLU 30 N 0.78 3.44 0.54 2.98 2.02 -1.26 -5.00 118.70 122.20 1aus s GLU 30 Ca 0.75 -0.66 -0.21 0.00 0.02 0.00 0.00 54.97 54.87 1aus s GLU 30 Cb -0.58 -3.63 -0.05 0.00 0.10 0.00 0.00 34.13 29.97 1aus s GLU 30 CO 0.37 -0.39 1.26 0.95 0.02 0.00 0.00 175.26 177.47 1aus s THR 31 N 1.66 2.52 0.30 3.63 -4.23 -1.26 -5.02 115.64 113.23 1aus s THR 31 Ca 0.05 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1aus s THR 31 Cb -0.17 -3.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 1aus s THR 31 CO 0.08 -0.03 0.56 -0.76 -0.54 0.00 0.00 174.62 173.93 1aus s LEU 32 N -3.56 4.04 0.00 4.79 1.43 -1.26 -4.97 118.68 119.16 1aus s LEU 32 Ca 0.71 0.70 0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1aus s LEU 32 Cb -0.34 -3.53 0.55 0.00 0.03 0.00 0.00 46.19 42.90 1aus s LEU 32 CO 0.40 -0.21 1.33 0.47 0.23 0.00 0.00 176.35 178.57 1aus n ASP 33 N -1.03 0.00 -0.25 2.29 8.00 -1.26 -1.44 116.55 122.87 1aus n ASP 33 Ca -0.02 0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.89 1aus n ASP 33 Cb 0.54 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1aus n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1aus n THR 34 N -1.40 0.00 -2.44 -3.53 -2.24 -1.26 -4.40 114.28 99.01 1aus n THR 34 Ca 0.04 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.28 1aus n THR 34 Cb 0.12 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1aus n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1aus s ASP 35 N -2.53 6.47 -0.25 3.42 1.01 -0.52 -3.73 116.67 120.54 1aus s ASP 35 Ca 0.12 2.11 -0.14 0.00 0.71 0.00 0.00 52.55 55.35 1aus s ASP 35 Cb 0.15 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1aus s ASP 35 CO 0.64 -0.70 0.34 -0.63 0.21 0.00 0.00 175.17 175.03 1aus s ILE 36 N -1.67 5.21 -0.08 0.77 1.09 0.26 -4.14 121.20 122.64 1aus s ILE 36 Ca 0.62 0.54 -0.02 0.00 -1.10 0.00 0.00 60.65 60.68 1aus s ILE 36 Cb -0.23 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 1aus s ILE 36 CO 0.29 0.21 0.03 -0.76 -0.10 0.00 0.00 174.94 174.60 1aus s LEU 37 N 1.73 3.71 -0.03 2.97 1.43 -1.02 -0.34 118.68 127.12 1aus s LEU 37 Ca 0.15 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1aus s LEU 37 Cb -0.15 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1aus s LEU 37 CO 0.09 0.37 -0.15 0.00 0.23 0.00 0.00 176.35 176.89 1aus s ALA 38 N -0.93 1.32 -0.31 4.21 0.00 0.43 -0.34 121.76 126.15 1aus s ALA 38 Ca 0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1aus s ALA 38 Cb -0.11 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1aus s ALA 38 CO 0.03 0.26 0.06 0.00 0.00 0.00 0.00 175.76 176.12 1aus s ALA 39 N -0.04 2.98 -0.13 0.00 0.00 -0.66 -0.92 121.76 123.00 1aus s ALA 39 Ca -0.01 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1aus s ALA 39 Cb -0.09 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1aus s ALA 39 CO 0.01 -1.15 0.03 -0.06 0.00 0.00 0.00 175.76 174.59 1aus s PHE 40 N 1.40 3.22 -0.53 0.00 0.08 -0.16 -0.32 117.98 121.67 1aus s PHE 40 Ca -0.01 0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.98 1aus s PHE 40 Cb -0.19 -1.91 0.07 0.00 -0.57 0.00 0.00 43.02 40.42 1aus s PHE 40 CO 0.01 0.35 0.67 0.50 -0.10 0.00 0.00 175.22 176.65 1aus s ARG 41 N -0.39 3.11 -0.23 0.44 3.52 0.11 -0.89 118.95 124.63 1aus s ARG 41 Ca 0.08 -0.95 -0.12 0.00 -0.13 0.00 0.00 55.73 54.61 1aus s ARG 41 Cb -0.12 -4.14 -0.05 0.00 -1.56 0.00 0.00 34.95 29.08 1aus s ARG 41 CO 0.02 -1.32 0.23 0.08 -0.81 0.00 0.00 175.30 173.49 1aus s VAL 42 N 2.75 5.32 -0.44 7.11 1.01 0.24 -1.97 120.40 134.41 1aus s VAL 42 Ca 0.15 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1aus s VAL 42 Cb -0.20 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 32.74 1aus s VAL 42 CO 0.11 0.32 0.20 -0.44 0.00 0.00 0.00 175.10 175.30 1aus s SER 43 N 1.01 4.96 0.76 3.32 0.01 -1.10 -0.47 113.70 122.19 1aus s SER 43 Ca 0.11 -2.36 -0.11 0.00 1.31 0.00 0.00 55.95 54.89 1aus s SER 43 Cb -0.14 -1.74 0.04 0.00 0.21 0.00 0.00 66.02 64.40 1aus s SER 43 CO 0.05 -0.42 1.09 -2.84 0.41 0.00 0.00 173.24 171.53 1aus s PRO 44 N 0.64 2.43 0.50 12.44 0.02 -1.25 -0.26 135.00 149.53 1aus s PRO 44 Ca 0.12 0.70 -0.21 0.00 0.02 0.00 0.00 61.00 61.64 1aus s PRO 44 Cb -0.22 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.28 1aus s PRO 44 CO -0.05 -1.40 1.12 -0.65 -0.33 0.00 0.00 177.00 175.69 1aus s GLN 45 N -5.15 3.58 0.39 5.54 -1.52 -0.03 -4.41 119.66 118.05 1aus s GLN 45 Ca 0.60 1.60 -0.27 0.00 -1.95 0.00 0.00 55.36 55.33 1aus s GLN 45 Cb -0.14 -2.15 -0.11 0.00 -0.22 0.00 0.00 33.01 30.40 1aus s GLN 45 CO 0.54 -0.66 1.43 -0.35 -0.25 0.00 0.00 175.29 176.00 1aus n PRO 46 N -0.98 2.45 -0.05 2.91 -0.04 -1.26 -2.02 135.00 136.01 1aus n PRO 46 Ca 0.10 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1aus n PRO 46 Cb 0.50 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1aus n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aus n GLY 47 N 0.55 0.46 3.32 0.55 0.00 -1.26 -5.03 105.19 103.77 1aus n GLY 47 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1aus n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aus s VAL 48 N -2.18 3.77 0.70 1.61 1.01 -0.86 -5.10 120.40 119.35 1aus s VAL 48 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1aus s VAL 48 Cb 0.00 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1aus s VAL 48 CO 0.00 0.08 1.09 -2.84 0.00 0.00 0.00 175.10 173.43 1aus s PRO 49 N 1.46 2.69 0.17 2.72 0.02 -1.26 -4.79 135.00 136.02 1aus s PRO 49 Ca 0.02 1.23 -0.14 0.00 0.02 0.00 0.00 61.00 62.13 1aus s PRO 49 Cb -0.17 -1.95 0.14 0.00 0.02 0.00 0.00 34.50 32.54 1aus s PRO 49 CO 0.01 -1.31 1.74 -1.00 -0.33 0.00 0.00 177.00 176.11 1aus h PRO 50 N -0.42 0.29 -0.67 5.54 0.13 -1.99 -2.00 132.00 132.88 1aus h PRO 50 Ca -0.45 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1aus h PRO 50 Cb 1.23 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1aus h PRO 50 CO 0.54 0.19 0.44 0.93 -0.23 0.00 0.00 178.00 179.87 1aus h GLU 51 N 0.29 0.65 -0.09 0.86 3.07 -1.99 0.11 114.58 117.48 1aus h GLU 51 Ca 0.21 -0.04 -0.23 0.00 -0.50 0.00 0.00 59.36 58.81 1aus h GLU 51 Cb 0.23 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1aus h GLU 51 CO -0.24 0.43 -0.85 1.49 -1.40 0.00 0.00 179.01 178.44 1aus h GLU 52 N 0.67 0.67 -0.08 2.33 4.57 -1.76 -2.14 114.58 118.84 1aus h GLU 52 Ca 0.29 -0.60 -0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1aus h GLU 52 Cb 0.28 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1aus h GLU 52 CO -0.09 1.21 0.04 0.00 -1.18 0.00 0.00 179.01 178.99 1aus h ALA 53 N 0.60 0.10 -0.95 2.92 0.00 -0.69 0.27 119.26 121.52 1aus h ALA 53 Ca -0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1aus h ALA 53 Cb 1.48 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1aus h ALA 53 CO 0.17 -0.33 0.61 0.78 0.00 0.00 0.00 179.25 180.48 1aus h GLY 54 N -0.01 1.40 1.55 0.00 0.00 -0.89 0.27 103.07 105.39 1aus h GLY 54 Ca 0.03 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1aus h GLY 54 CO -0.00 0.37 -0.21 0.00 0.00 0.00 0.00 176.54 176.70 1aus h ALA 55 N 1.40 1.10 -0.27 3.60 0.00 -1.03 -1.78 119.26 122.28 1aus h ALA 55 Ca 0.39 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1aus h ALA 55 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1aus h ALA 55 CO -0.14 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.50 1aus h ALA 56 N 1.30 0.39 -0.50 0.00 0.00 0.13 -1.77 119.26 118.80 1aus h ALA 56 Ca 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1aus h ALA 56 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1aus h ALA 56 CO 0.05 0.30 0.32 0.28 0.00 0.00 0.00 179.25 180.19 1aus h VAL 57 N 0.33 1.09 -0.39 0.00 2.07 -0.33 0.27 116.25 119.29 1aus h VAL 57 Ca 0.06 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1aus h VAL 57 Cb 0.70 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1aus h VAL 57 CO 0.05 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1aus h ALA 58 N 1.20 0.53 0.08 1.67 0.00 -1.31 -2.47 119.26 118.96 1aus h ALA 58 Ca 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1aus h ALA 58 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1aus h ALA 58 CO -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.45 1aus h ALA 59 N 0.88 -0.10 0.00 0.00 0.00 -1.12 -2.99 119.26 115.94 1aus h ALA 59 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1aus h ALA 59 Cb 0.47 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aus h ALA 59 CO 0.02 -0.35 -0.00 0.93 0.00 0.00 0.00 179.25 179.84 1aus h GLU 60 N -0.51 0.00 -0.44 0.00 4.39 -0.52 -0.87 114.58 116.62 1aus h GLU 60 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1aus h GLU 60 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1aus h GLU 60 CO 0.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.74 1aus n SER 61 N -3.21 4.52 0.00 1.42 3.41 -0.93 -4.04 113.62 114.80 1aus n SER 61 Ca -0.03 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1aus n SER 61 Cb 0.08 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1aus n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aus n SER 62 N 0.25 0.00 0.00 4.04 3.41 -0.34 -4.68 113.62 116.31 1aus n SER 62 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1aus n SER 62 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1aus n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aus n THR 63 N 0.00 0.00 -2.05 6.66 -2.24 -1.21 -5.01 114.28 110.43 1aus n THR 63 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1aus n THR 63 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1aus n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aus n GLY 64 N 4.74 -4.25 3.22 3.38 0.00 -1.25 -4.51 105.19 106.52 1aus n GLY 64 Ca 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 1aus n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aus s THR 65 N -0.35 1.52 0.51 2.61 -1.32 -1.26 -4.81 115.64 112.54 1aus s THR 65 Ca -0.14 -1.08 0.38 0.00 -1.21 0.00 0.00 61.69 59.64 1aus s THR 65 Cb 0.01 -1.32 0.40 0.00 -1.51 0.00 0.00 72.50 70.08 1aus s THR 65 CO 0.38 0.21 2.24 4.11 -2.21 0.00 0.00 174.62 179.36 1aus h TRP 66 N 5.05 0.00 -4.00 9.09 5.08 -2.03 -3.43 115.95 125.71 1aus h TRP 66 Ca -0.41 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.43 1aus h TRP 66 Cb 1.16 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 27.14 1aus h TRP 66 CO 0.48 0.02 -0.63 -0.08 -1.28 0.00 0.00 178.44 176.95 1aus s THR 67 N -4.12 0.15 0.28 0.12 -1.32 -1.26 -5.14 115.64 104.35 1aus s THR 67 Ca -0.03 -1.26 -0.29 0.00 -1.21 0.00 0.00 61.69 58.89 1aus s THR 67 Cb 0.12 -0.89 -0.10 0.00 -1.51 0.00 0.00 72.50 70.13 1aus s THR 67 CO 0.48 -0.70 1.25 -0.89 -2.21 0.00 0.00 174.62 172.55 1aus s THR 68 N -2.65 3.08 -0.04 5.08 2.01 -1.26 -5.05 115.64 116.81 1aus s THR 68 Ca -0.05 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.02 1aus s THR 68 Cb -0.01 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 1aus s THR 68 CO -0.05 0.22 -0.16 0.68 -0.69 0.00 0.00 174.62 174.62 1aus s VAL 69 N -0.81 1.34 0.60 3.82 -7.23 -1.26 -5.04 120.40 111.82 1aus s VAL 69 Ca 0.50 -0.67 0.36 0.00 -1.81 0.00 0.00 61.98 60.35 1aus s VAL 69 Cb -0.37 -1.15 0.39 0.00 0.56 0.00 0.00 36.38 35.82 1aus s VAL 69 CO 0.46 0.39 2.29 4.11 -0.31 0.00 0.00 175.10 182.03 1aus h TRP 70 N 6.18 0.00 0.00 2.82 5.08 -2.04 -2.71 115.95 125.29 1aus h TRP 70 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.64 1aus h TRP 70 Cb 1.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1aus h TRP 70 CO 0.43 0.01 0.00 1.79 -1.28 0.00 0.00 178.44 179.39 1aus h THR 71 N 0.00 0.00 0.00 0.12 1.35 -2.02 -2.71 112.91 109.65 1aus h THR 71 Ca -0.00 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1aus h THR 71 Cb 0.04 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1aus h THR 71 CO 0.00 0.00 -0.10 0.44 -0.25 0.00 0.00 175.52 175.61 1aus h ASP 72 N 0.00 0.00 0.44 5.36 3.32 -1.86 0.05 116.42 123.73 1aus h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aus h ASP 72 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1aus h ASP 72 CO 0.00 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 1aus n GLY 73 N -1.09 -1.11 0.18 2.75 0.00 -1.02 -2.84 105.19 102.06 1aus n GLY 73 Ca -0.03 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1aus n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1aus h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.15 -3.47 115.31 115.06 1aus h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aus h LEU 74 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1aus h LEU 74 CO 0.00 0.17 0.00 0.35 0.09 0.00 0.00 178.44 179.05 1aus n THR 75 N -3.06 0.00 -3.87 0.22 -2.24 -1.13 -5.10 114.28 99.10 1aus n THR 75 Ca 0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 1aus n THR 75 Cb 0.61 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1aus n THR 75 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1aus s ASN 76 N -0.99 4.77 0.15 3.42 2.47 -1.26 -4.96 114.94 118.55 1aus s ASN 76 Ca 0.00 -2.74 0.17 0.00 0.42 0.00 0.00 52.86 50.71 1aus s ASN 76 Cb 0.00 -1.73 0.75 0.00 -1.45 0.00 0.00 41.25 38.83 1aus s ASN 76 CO 0.00 -0.33 1.52 0.18 -3.72 0.00 0.00 177.10 174.75 1aus n LEU 77 N 3.55 0.34 0.20 3.21 4.32 -1.26 -2.40 117.00 124.96 1aus n LEU 77 Ca 0.05 0.61 0.07 0.00 -0.02 0.00 0.00 56.01 56.72 1aus n LEU 77 Cb 0.36 -0.59 0.40 0.00 -1.62 0.00 0.00 43.42 41.97 1aus n LEU 77 CO 0.32 -0.53 0.73 0.44 -1.22 0.00 0.00 177.39 177.14 1aus h ASP 78 N 0.00 0.00 1.25 -1.43 5.19 -1.97 -2.53 116.42 116.93 1aus h ASP 78 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1aus h ASP 78 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1aus h ASP 78 CO 0.00 0.32 0.00 -1.14 -3.12 0.00 0.00 179.24 175.30 1aus n ARG 79 N -3.53 0.22 0.00 3.56 0.63 -1.01 -3.77 116.66 112.76 1aus n ARG 79 Ca -0.00 0.24 0.03 0.00 -0.92 0.00 0.00 57.85 57.20 1aus n ARG 79 Cb 0.46 -1.79 -0.00 0.00 0.45 0.00 0.00 32.46 31.58 1aus n ARG 79 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1aus n TYR 80 N -2.18 0.00 -2.73 -0.14 4.01 -0.99 -4.82 117.16 110.32 1aus n TYR 80 Ca 0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1aus n TYR 80 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 1aus n TYR 80 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1aus s LYS 81 N -1.08 4.13 0.34 -0.72 -2.85 -1.00 -4.59 119.74 113.98 1aus s LYS 81 Ca 0.05 1.04 -0.18 0.00 -1.00 0.00 0.00 55.97 55.87 1aus s LYS 81 Cb 0.05 -2.19 -0.10 0.00 -2.06 0.00 0.00 37.83 33.54 1aus s LYS 81 CO 0.17 -0.08 0.81 0.20 0.10 0.00 0.00 175.35 176.55 1aus s GLY 82 N -2.44 2.43 -0.14 0.59 0.00 -1.26 -4.53 107.32 101.97 1aus s GLY 82 Ca 0.60 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.52 1aus s GLY 82 CO 0.18 0.47 -0.04 0.50 0.00 0.00 0.00 173.10 174.22 1aus s ARG 83 N -2.81 1.25 -0.54 2.90 0.52 -0.49 -4.62 118.95 115.16 1aus s ARG 83 Ca 0.54 -0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 55.12 1aus s ARG 83 Cb -0.12 -1.77 0.02 0.00 0.52 0.00 0.00 34.95 33.60 1aus s ARG 83 CO 0.17 -0.40 1.37 0.00 0.02 0.00 0.00 175.30 176.47 1aus n TYR 85 N 9.27 0.00 -3.58 0.00 4.11 -0.44 -0.14 117.16 126.38 1aus n TYR 85 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.87 1aus n TYR 85 Cb 0.49 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.75 1aus n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1aus s HIS 86 N -3.00 -0.69 -0.02 -3.48 5.04 -1.22 -4.17 115.29 107.76 1aus s HIS 86 Ca 0.08 1.49 0.01 0.00 -1.54 0.00 0.00 55.06 55.09 1aus s HIS 86 Cb 0.16 0.34 0.02 0.00 0.04 0.00 0.00 32.58 33.14 1aus s HIS 86 CO 0.86 -0.46 -0.01 0.42 -2.34 0.00 0.00 174.74 173.21 1aus s ILE 87 N -0.35 0.17 -0.01 0.89 1.01 -1.26 -0.34 121.20 121.32 1aus s ILE 87 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1aus s ILE 87 Cb -0.03 -0.23 0.01 0.00 0.01 0.00 0.00 42.46 42.23 1aus s ILE 87 CO 0.04 0.11 -0.01 -1.83 0.00 0.00 0.00 174.94 173.25 1aus s GLU 88 N 0.65 0.16 0.66 2.79 -1.05 0.08 -4.98 118.70 117.01 1aus s GLU 88 Ca -0.06 -0.00 -0.17 0.00 -0.15 0.00 0.00 54.97 54.58 1aus s GLU 88 Cb -0.09 -0.23 -0.00 0.00 -0.44 0.00 0.00 34.13 33.36 1aus s GLU 88 CO -0.01 -0.02 1.24 -2.14 0.95 0.00 0.00 175.26 175.27 1aus s PRO 89 N 0.33 2.55 -0.13 -4.83 0.02 -1.26 -0.30 135.00 131.38 1aus s PRO 89 Ca -0.03 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 62.72 1aus s PRO 89 Cb -0.05 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1aus s PRO 89 CO -0.01 -1.55 0.38 0.08 -0.33 0.00 0.00 177.00 175.57 1aus s VAL 90 N -1.65 5.24 0.12 3.83 1.01 -0.11 -4.74 120.40 124.09 1aus s VAL 90 Ca 0.78 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 1aus s VAL 90 Cb -0.32 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1aus s VAL 90 CO 0.39 0.38 1.11 0.00 0.00 0.00 0.00 175.10 176.99 1aus s ALA 91 N 0.39 3.35 0.00 5.51 0.00 -1.26 -3.37 121.76 126.38 1aus s ALA 91 Ca 0.21 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1aus s ALA 91 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1aus s ALA 91 CO 0.07 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1aus n GLY 92 N 2.50 0.46 3.53 0.00 0.00 -1.26 -5.01 105.19 105.42 1aus n GLY 92 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1aus n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aus s GLU 93 N -0.21 1.90 -0.15 1.61 2.56 -1.22 -5.11 118.70 118.09 1aus s GLU 93 Ca 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 54.97 53.43 1aus s GLU 93 Cb 0.00 -2.00 -0.04 0.00 2.00 0.00 0.00 34.13 34.09 1aus s GLU 93 CO 0.00 0.39 0.07 -2.00 -0.56 0.00 0.00 175.26 173.15 1aus s GLU 94 N -3.15 3.70 -1.33 4.30 2.56 -1.26 -4.61 118.70 118.91 1aus s GLU 94 Ca 0.27 -0.31 -0.08 0.00 0.00 0.00 0.00 54.97 54.84 1aus s GLU 94 Cb -0.07 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.92 1aus s GLU 94 CO 0.15 0.45 0.51 -1.71 -0.56 0.00 0.00 175.26 174.10 1aus n ASN 95 N 2.99 -1.82 -3.77 -1.70 5.15 -1.26 -4.99 115.26 109.86 1aus n ASN 95 Ca -0.18 -1.05 -0.14 0.00 -0.60 0.00 0.00 54.58 52.61 1aus n ASN 95 Cb 0.53 -2.94 -0.15 0.00 -0.53 0.00 0.00 39.78 36.69 1aus n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1aus s GLN 96 N -6.53 0.03 0.15 1.20 0.74 -1.26 -3.76 119.66 110.23 1aus s GLN 96 Ca 0.16 0.26 0.04 0.00 0.05 0.00 0.00 55.36 55.88 1aus s GLN 96 Cb -0.07 -0.20 -0.04 0.00 1.10 0.00 0.00 33.01 33.80 1aus s GLN 96 CO 0.89 -0.16 -0.09 0.71 -0.55 0.00 0.00 175.29 176.10 1aus s TYR 97 N 1.04 1.26 -0.27 1.67 1.51 0.38 -0.94 117.35 122.00 1aus s TYR 97 Ca -0.08 -0.78 -0.08 0.00 -1.01 0.00 0.00 57.07 55.12 1aus s TYR 97 Cb -0.11 -0.65 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 1aus s TYR 97 CO -0.04 0.06 0.10 0.42 -1.11 0.00 0.00 175.55 174.98 1aus s ILE 98 N -3.35 4.49 -0.14 2.71 -1.09 0.59 0.81 121.20 125.21 1aus s ILE 98 Ca 0.17 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1aus s ILE 98 Cb 0.03 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1aus s ILE 98 CO 0.01 0.26 -0.05 0.00 -1.23 0.00 0.00 174.94 173.92 1aus s TYR 100 N 0.14 3.22 -0.03 0.00 1.51 0.54 -0.99 117.35 121.74 1aus s TYR 100 Ca -0.02 0.00 0.07 0.00 -1.01 0.00 0.00 57.07 56.11 1aus s TYR 100 Cb -0.14 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1aus s TYR 100 CO 0.03 -0.07 -0.25 0.08 -1.11 0.00 0.00 175.55 174.24 1aus s VAL 101 N 1.17 2.16 -0.10 0.71 1.01 -0.09 -1.33 120.40 123.93 1aus s VAL 101 Ca 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1aus s VAL 101 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1aus s VAL 101 CO 0.05 0.58 -0.13 0.00 0.00 0.00 0.00 175.10 175.60 1aus s ALA 102 N -0.53 2.67 -0.10 5.51 0.00 -0.54 -0.43 121.76 128.35 1aus s ALA 102 Ca 0.07 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1aus s ALA 102 Cb -0.11 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 1aus s ALA 102 CO 0.00 0.37 -0.23 0.71 0.00 0.00 0.00 175.76 176.61 1aus s TYR 103 N -0.07 2.57 0.54 0.00 2.02 0.54 -1.39 117.35 121.56 1aus s TYR 103 Ca -0.02 -0.96 -0.21 0.00 -0.37 0.00 0.00 57.07 55.51 1aus s TYR 103 Cb -0.14 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 1aus s TYR 103 CO 0.04 -0.37 1.25 -2.14 -1.57 0.00 0.00 175.55 172.76 1aus s PRO 104 N 0.26 3.23 0.34 -1.71 0.02 -1.26 -0.57 135.00 135.32 1aus s PRO 104 Ca -0.16 1.97 0.07 0.00 0.02 0.00 0.00 61.00 62.90 1aus s PRO 104 Cb -0.17 -2.17 0.75 0.00 0.02 0.00 0.00 34.50 32.92 1aus s PRO 104 CO 0.08 -1.04 1.89 1.25 -0.33 0.00 0.00 177.00 178.85 1aus h LEU 105 N 1.40 0.71 0.00 -5.54 5.85 -1.93 -2.57 115.31 113.22 1aus h LEU 105 Ca -0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1aus h LEU 105 Cb 1.29 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1aus h LEU 105 CO 0.57 0.39 0.00 0.47 -0.34 0.00 0.00 178.44 179.53 1aus n ASP 106 N -4.54 0.00 0.13 1.25 9.92 -1.26 -2.26 116.55 119.78 1aus n ASP 106 Ca 0.16 0.48 0.13 0.00 -0.53 0.00 0.00 54.79 55.03 1aus n ASP 106 Cb 0.38 -0.48 0.33 0.00 -0.64 0.00 0.00 41.12 40.71 1aus n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1aus h LEU 107 N 0.00 0.00 -9.35 0.64 3.38 -1.84 -3.47 115.31 104.68 1aus h LEU 107 Ca 0.00 -0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.29 1aus h LEU 107 Cb 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.66 1aus h LEU 107 CO 0.00 0.01 -0.64 -0.36 0.09 0.00 0.00 178.44 177.53 1aus s PHE 108 N -3.14 3.08 -0.05 1.13 0.40 -0.96 -5.05 117.98 113.40 1aus s PHE 108 Ca 0.09 0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.21 1aus s PHE 108 Cb 0.11 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 1aus s PHE 108 CO 0.63 0.46 0.99 -2.00 0.70 0.00 0.00 175.22 176.00 1aus s GLU 109 N -1.46 4.50 0.19 0.44 2.12 -1.26 -4.97 118.70 118.25 1aus s GLU 109 Ca 0.19 1.41 -0.33 0.00 0.36 0.00 0.00 54.97 56.60 1aus s GLU 109 Cb -0.11 -3.50 -0.14 0.00 0.26 0.00 0.00 34.13 30.64 1aus s GLU 109 CO 0.09 -0.17 1.48 0.39 -0.54 0.00 0.00 175.26 176.51 1aus n GLU 110 N 4.41 2.00 -1.16 4.30 4.71 -1.26 -2.48 120.64 131.15 1aus n GLU 110 Ca 0.07 0.72 -0.05 0.00 -0.01 0.00 0.00 57.16 57.89 1aus n GLU 110 Cb 0.50 -2.43 -0.02 0.00 -1.01 0.00 0.00 31.44 28.48 1aus n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1aus n GLY 111 N 2.80 0.66 3.09 0.62 0.00 -1.24 -4.97 105.19 106.15 1aus n GLY 111 Ca 0.15 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1aus n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aus s SER 112 N -2.31 5.13 0.28 1.61 0.15 -1.04 -4.91 113.70 112.61 1aus s SER 112 Ca 0.00 -2.25 -0.03 0.00 0.70 0.00 0.00 55.95 54.37 1aus s SER 112 Cb 0.00 -1.79 0.37 0.00 -1.71 0.00 0.00 66.02 62.89 1aus s SER 112 CO 0.00 -0.47 1.90 0.58 1.20 0.00 0.00 173.24 176.45 1aus h VAL 113 N 6.16 1.23 -0.46 4.45 2.07 -1.93 -1.56 116.25 126.21 1aus h VAL 113 Ca -0.09 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 66.94 1aus h VAL 113 Cb 1.02 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1aus h VAL 113 CO 0.67 0.26 -0.10 0.74 0.02 0.00 0.00 177.57 179.16 1aus h THR 114 N 1.07 0.56 -0.19 2.57 2.02 -1.90 -1.04 112.91 116.00 1aus h THR 114 Ca 0.27 -0.01 -0.15 0.00 0.77 0.00 0.00 66.41 67.30 1aus h THR 114 Cb 0.03 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1aus h THR 114 CO -0.04 0.00 -0.50 -1.13 0.37 0.00 0.00 175.52 174.22 1aus h ASN 115 N 0.02 0.55 -0.41 4.18 -0.73 -1.76 -2.14 115.58 115.29 1aus h ASN 115 Ca 0.22 -0.27 0.03 0.00 1.87 0.00 0.00 56.30 58.15 1aus h ASN 115 Cb 0.34 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 1aus h ASN 115 CO -0.46 0.95 0.21 -0.03 -0.37 0.00 0.00 177.43 177.74 1aus h MET 116 N 0.40 0.42 -0.40 6.67 4.05 -0.40 -1.51 114.93 124.15 1aus h MET 116 Ca 0.02 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1aus h MET 116 Cb 1.01 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 1aus h MET 116 CO 0.09 0.28 -0.26 0.74 0.23 0.00 0.00 176.91 177.99 1aus h PHE 117 N 0.43 1.03 -0.31 1.39 0.04 -1.17 -2.60 116.94 115.76 1aus h PHE 117 Ca 0.17 -0.27 0.01 0.00 2.80 0.00 0.00 57.97 60.68 1aus h PHE 117 Cb 0.07 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 1aus h PHE 117 CO -0.10 1.07 0.17 1.15 -0.60 0.00 0.00 178.31 180.01 1aus h THR 118 N 0.70 1.03 -0.23 -1.55 2.02 -1.18 0.30 112.91 113.99 1aus h THR 118 Ca 0.08 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1aus h THR 118 Cb 0.83 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1aus h THR 118 CO 0.07 0.07 0.10 0.28 0.37 0.00 0.00 175.52 176.41 1aus h SER 119 N 0.36 0.31 0.21 4.18 0.02 -1.27 -1.35 113.55 116.01 1aus h SER 119 Ca 0.12 -0.14 -0.34 0.00 -0.84 0.00 0.00 61.79 60.59 1aus h SER 119 Cb 0.00 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.48 1aus h SER 119 CO -0.06 0.36 -1.63 0.40 -1.14 0.00 0.00 176.83 174.77 1aus h ILE 120 N 0.24 1.07 -0.02 3.27 2.04 -1.37 -3.40 117.51 119.33 1aus h ILE 120 Ca 0.08 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1aus h ILE 120 Cb 0.14 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1aus h ILE 120 CO -0.01 0.83 0.00 0.55 0.00 0.00 0.00 178.15 179.53 1aus n VAL 121 N -3.66 0.04 0.26 1.67 3.14 0.10 -4.67 118.33 115.20 1aus n VAL 121 Ca -0.22 -0.52 0.16 0.00 -2.96 0.00 0.00 64.34 60.80 1aus n VAL 121 Cb 1.08 1.14 0.55 0.00 -1.06 0.00 0.00 33.84 35.54 1aus n VAL 121 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1aus h GLY 122 N 1.51 0.00 0.00 7.55 0.00 -1.05 -3.41 103.07 107.67 1aus h GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aus h GLY 122 CO 0.00 0.00 -0.56 -2.01 0.00 0.00 0.00 176.54 173.97 1aus n ASN 123 N -3.10 1.20 -0.26 0.19 5.15 -1.26 -4.93 115.26 112.25 1aus n ASN 123 Ca 0.01 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.06 1aus n ASN 123 Cb 0.37 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.82 1aus n ASN 123 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1aus h VAL 124 N 0.00 0.50 0.00 3.44 -1.51 -1.79 -3.08 116.25 113.81 1aus h VAL 124 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1aus h VAL 124 Cb 0.56 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 1aus h VAL 124 CO 0.00 0.05 0.44 -0.26 -1.23 0.00 0.00 177.57 176.58 1aus h PHE 125 N 0.28 0.00 -0.10 5.19 -1.00 -1.92 -0.55 116.94 118.85 1aus h PHE 125 Ca 0.44 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.22 1aus h PHE 125 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 1aus h PHE 125 CO -0.25 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 176.86 1aus n GLY 126 N -1.27 0.75 3.68 -1.45 0.00 -1.16 -4.85 105.19 100.89 1aus n GLY 126 Ca -0.02 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 1aus n GLY 126 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1aus n PHE 127 N 0.92 2.47 -0.34 1.61 7.35 -0.22 -4.89 117.46 124.37 1aus n PHE 127 Ca 0.17 -0.01 0.08 0.00 -0.76 0.00 0.00 57.45 56.93 1aus n PHE 127 Cb 0.50 -2.67 0.25 0.00 0.35 0.00 0.00 39.48 37.91 1aus n PHE 127 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1aus h LYS 128 N 8.02 0.82 0.00 -4.13 1.57 -1.93 -1.60 116.57 119.32 1aus h LYS 128 Ca -0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1aus h LYS 128 Cb 1.24 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1aus h LYS 128 CO 0.93 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 180.36 1aus n ALA 129 N -2.36 1.48 -2.79 3.86 0.00 -1.26 -4.64 120.51 114.81 1aus n ALA 129 Ca 0.19 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.37 1aus n ALA 129 Cb 0.42 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1aus n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aus s LEU 130 N -4.30 4.01 -0.06 0.00 1.43 -0.60 -0.85 118.68 118.30 1aus s LEU 130 Ca 0.03 0.31 0.14 0.00 -1.03 0.00 0.00 54.13 53.57 1aus s LEU 130 Cb 0.08 -1.97 -0.23 0.00 0.03 0.00 0.00 46.19 44.11 1aus s LEU 130 CO 0.32 0.39 0.58 -1.14 0.23 0.00 0.00 176.35 176.73 1aus n ARG 131 N 2.02 0.64 -3.58 1.70 0.63 0.64 -4.75 116.66 113.96 1aus n ARG 131 Ca -0.19 0.25 -0.07 0.00 -0.92 0.00 0.00 57.85 56.91 1aus n ARG 131 Cb 0.54 -1.75 -0.02 0.00 0.45 0.00 0.00 32.46 31.68 1aus n ARG 131 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aus s ALA 132 N -2.60 -1.72 -0.26 5.13 0.00 -1.07 -5.03 121.76 116.23 1aus s ALA 132 Ca -0.05 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 1aus s ALA 132 Cb 0.08 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.83 1aus s ALA 132 CO 0.83 -0.82 0.65 -1.17 0.00 0.00 0.00 175.76 175.24 1aus s LEU 133 N -2.67 -0.69 -0.05 0.00 2.96 -1.10 -2.72 118.68 114.41 1aus s LEU 133 Ca 0.07 1.38 -0.00 0.00 -0.22 0.00 0.00 54.13 55.35 1aus s LEU 133 Cb -0.01 2.22 0.03 0.00 0.50 0.00 0.00 46.19 48.93 1aus s LEU 133 CO -0.06 -0.23 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.13 1aus s ARG 134 N 1.13 0.60 -0.28 1.98 3.52 -0.83 -1.12 118.95 123.94 1aus s ARG 134 Ca -0.06 0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.29 1aus s ARG 134 Cb -0.05 -0.83 0.01 0.00 -1.56 0.00 0.00 34.95 32.51 1aus s ARG 134 CO -0.11 -0.21 1.14 -1.17 -0.81 0.00 0.00 175.30 174.14 1aus s LEU 135 N 1.50 3.98 -0.09 -0.88 2.96 -0.50 0.08 118.68 125.73 1aus s LEU 135 Ca -0.02 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.15 1aus s LEU 135 Cb -0.13 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 1aus s LEU 135 CO -0.03 -0.88 0.49 -0.62 -1.32 0.00 0.00 176.35 173.99 1aus n GLU 136 N 6.86 0.68 -3.58 1.98 -0.58 0.56 -1.12 120.64 125.44 1aus n GLU 136 Ca 0.13 0.27 -0.08 0.00 -0.42 0.00 0.00 57.16 57.06 1aus n GLU 136 Cb 0.47 -1.74 -0.02 0.00 -0.57 0.00 0.00 31.44 29.58 1aus n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1aus s ASP 137 N -6.44 -0.35 -0.00 1.62 2.15 -1.18 -4.56 116.67 107.91 1aus s ASP 137 Ca -0.13 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.70 1aus s ASP 137 Cb 0.07 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 1aus s ASP 137 CO 0.80 -0.82 -0.00 -0.76 -0.17 0.00 0.00 175.17 174.22 1aus s LEU 138 N -2.69 1.89 -0.42 -1.34 1.43 -1.26 -1.65 118.68 114.64 1aus s LEU 138 Ca 0.07 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 1aus s LEU 138 Cb -0.01 -0.04 0.04 0.00 0.03 0.00 0.00 46.19 46.20 1aus s LEU 138 CO -0.06 -0.01 0.30 -0.60 0.23 0.00 0.00 176.35 176.22 1aus s ARG 139 N 0.12 2.92 -0.29 1.70 3.00 0.54 -4.93 118.95 122.01 1aus s ARG 139 Ca -0.01 -1.14 -0.22 0.00 -1.00 0.00 0.00 55.73 53.36 1aus s ARG 139 Cb -0.02 -3.95 -0.01 0.00 0.00 0.00 0.00 34.95 30.97 1aus s ARG 139 CO -0.00 -0.82 0.71 0.42 0.00 0.00 0.00 175.30 175.60 1aus s ILE 140 N 1.63 4.88 0.49 4.11 -1.09 -1.26 -2.44 121.20 127.51 1aus s ILE 140 Ca 0.04 1.09 -0.22 0.00 -2.23 0.00 0.00 60.65 59.33 1aus s ILE 140 Cb -0.21 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.56 1aus s ILE 140 CO 0.08 -0.14 1.22 -2.16 -1.23 0.00 0.00 174.94 172.71 1aus s PRO 141 N 2.74 3.56 0.51 2.79 0.04 -1.26 -4.73 135.00 138.65 1aus s PRO 141 Ca 0.29 1.91 0.21 0.00 0.04 0.00 0.00 61.00 63.46 1aus s PRO 141 Cb -0.15 -2.35 1.30 0.00 0.04 0.00 0.00 34.50 33.34 1aus s PRO 141 CO 0.11 -0.75 2.01 -0.39 0.04 0.00 0.00 177.00 178.02 1aus h VAL 142 N 1.73 0.81 -0.22 -0.36 -1.51 -1.84 0.06 116.25 114.91 1aus h VAL 142 Ca -0.50 -0.03 -0.08 0.00 -1.23 0.00 0.00 66.70 64.86 1aus h VAL 142 Cb 1.26 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 1aus h VAL 142 CO 0.59 0.02 -0.21 0.00 -1.23 0.00 0.00 177.57 176.73 1aus h ALA 143 N 1.77 1.22 0.19 5.19 0.00 -1.91 -2.00 119.26 123.72 1aus h ALA 143 Ca 0.22 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1aus h ALA 143 Cb 0.76 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1aus h ALA 143 CO -0.02 0.51 -1.42 -0.92 0.00 0.00 0.00 179.25 177.39 1aus h TYR 144 N 0.36 0.72 -0.99 0.00 3.20 -1.41 -3.30 116.97 115.56 1aus h TYR 144 Ca 0.06 -0.53 0.12 0.00 3.14 0.00 0.00 58.73 61.52 1aus h TYR 144 Cb 0.58 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.74 1aus h TYR 144 CO 0.02 1.45 0.62 0.28 -1.64 0.00 0.00 178.16 178.88 1aus h VAL 145 N 0.11 0.91 0.00 1.81 2.07 -0.83 -1.60 116.25 118.73 1aus h VAL 145 Ca -0.22 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1aus h VAL 145 Cb 2.08 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1aus h VAL 145 CO 0.23 0.18 0.00 0.29 0.02 0.00 0.00 177.57 178.29 1aus n LYS 146 N -4.63 0.01 0.00 1.57 4.76 -0.78 -2.26 118.16 116.82 1aus n LYS 146 Ca 0.19 0.37 0.13 0.00 -2.87 0.00 0.00 58.31 56.12 1aus n LYS 146 Cb 0.35 -1.53 0.43 0.00 -1.84 0.00 0.00 35.03 32.44 1aus n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aus n THR 147 N -1.55 0.00 -4.08 -0.18 -2.24 -0.60 -4.91 114.28 100.72 1aus n THR 147 Ca 0.02 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 1aus n THR 147 Cb 0.10 0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1aus n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1aus s PHE 148 N -2.75 3.17 0.04 4.78 0.40 -0.96 -3.69 117.98 118.96 1aus s PHE 148 Ca 0.19 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.32 1aus s PHE 148 Cb 0.19 -1.49 -0.32 0.00 0.51 0.00 0.00 43.02 41.91 1aus s PHE 148 CO 0.58 0.52 1.05 0.37 0.70 0.00 0.00 175.22 178.43 1aus h GLN 149 N 2.05 0.59 0.00 0.44 4.15 -1.87 -3.50 115.11 116.97 1aus h GLN 149 Ca -0.48 -0.87 0.00 0.00 0.77 0.00 0.00 58.65 58.07 1aus h GLN 149 Cb 1.21 0.31 0.00 0.00 0.21 0.00 0.00 27.48 29.21 1aus h GLN 149 CO 0.63 1.41 0.00 0.41 -1.93 0.00 0.00 178.83 179.34 1aus n GLY 150 N 1.53 -1.61 3.66 2.39 0.00 -0.85 -4.88 105.19 105.42 1aus n GLY 150 Ca -0.15 -1.36 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 1aus n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aus n PRO 151 N 0.00 1.88 -0.30 1.61 -0.02 -1.24 -4.08 135.00 132.85 1aus n PRO 151 Ca 0.00 0.66 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 1aus n PRO 151 Cb 0.00 -2.20 0.23 0.00 -0.02 0.00 0.00 33.50 31.52 1aus n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1aus h PRO 152 N 2.71 1.02 0.00 0.52 0.11 -1.83 -3.41 132.00 131.12 1aus h PRO 152 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1aus h PRO 152 Cb 1.30 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1aus h PRO 152 CO 0.64 0.67 -0.32 0.72 -0.21 0.00 0.00 178.00 179.51 1aus n HIS 153 N -4.47 -0.51 0.00 0.65 8.25 -1.26 -4.72 115.22 113.16 1aus n HIS 153 Ca 0.13 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1aus n HIS 153 Cb 0.16 0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1aus n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aus n GLY 154 N 2.44 -0.36 0.44 -1.41 0.00 -1.26 -4.44 105.19 100.61 1aus n GLY 154 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 1aus n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aus h ILE 155 N 0.00 0.00 -0.54 -0.61 2.04 -1.74 -1.20 117.51 115.45 1aus h ILE 155 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1aus h ILE 155 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1aus h ILE 155 CO 0.00 0.00 0.15 1.56 0.00 0.00 0.00 178.15 179.86 1aus h GLN 156 N -0.38 0.86 -0.53 2.37 1.08 -1.90 -1.79 115.11 114.82 1aus h GLN 156 Ca 0.07 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.00 1aus h GLN 156 Cb 0.58 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1aus h GLN 156 CO -0.60 0.79 -0.01 0.28 -0.95 0.00 0.00 178.83 178.35 1aus h VAL 157 N 0.76 1.25 -0.46 -0.54 2.07 -1.74 -2.09 116.25 115.50 1aus h VAL 157 Ca 0.17 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1aus h VAL 157 Cb 0.31 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1aus h VAL 157 CO -0.00 0.38 0.14 -0.08 0.02 0.00 0.00 177.57 178.04 1aus h GLU 158 N 0.83 0.72 -0.82 1.57 4.81 -1.00 -0.99 114.58 119.70 1aus h GLU 158 Ca 0.15 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1aus h GLU 158 Cb 0.50 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1aus h GLU 158 CO 0.02 0.69 0.43 0.00 -0.73 0.00 0.00 179.01 179.42 1aus h ARG 159 N 0.61 1.15 -0.48 1.92 3.08 -1.14 -1.01 114.38 118.52 1aus h ARG 159 Ca 0.15 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1aus h ARG 159 Cb 0.27 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1aus h ARG 159 CO -0.00 0.86 0.07 -0.44 -1.07 0.00 0.00 179.97 179.39 1aus h ASP 160 N 1.14 0.76 -0.21 7.04 3.32 -1.13 0.29 116.42 127.64 1aus h ASP 160 Ca 0.29 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1aus h ASP 160 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1aus h ASP 160 CO -0.04 0.83 0.10 0.11 -1.72 0.00 0.00 179.24 178.52 1aus h LYS 161 N 0.67 0.30 0.00 3.56 1.79 -0.96 -2.86 116.57 119.07 1aus h LYS 161 Ca 0.14 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1aus h LYS 161 Cb 0.40 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1aus h LYS 161 CO 0.01 0.31 -0.14 1.28 -1.08 0.00 0.00 179.45 179.83 1aus n LEU 162 N -4.86 0.21 -3.68 2.94 4.77 -0.40 -4.94 117.00 111.03 1aus n LEU 162 Ca -0.03 0.37 -0.23 0.00 -0.03 0.00 0.00 56.01 56.09 1aus n LEU 162 Cb 0.09 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1aus n LEU 162 CO 0.35 0.01 0.07 -3.20 -1.33 0.00 0.00 177.39 173.29 1aus n ASN 163 N -1.58 -3.20 -4.01 -1.43 4.05 0.98 -4.69 115.26 105.39 1aus n ASN 163 Ca 0.06 -0.72 -0.31 0.00 0.45 0.00 0.00 54.58 54.07 1aus n ASN 163 Cb 0.35 -4.40 -0.16 0.00 1.23 0.00 0.00 39.78 36.80 1aus n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1aus s LYS 164 N -6.08 2.12 0.10 1.20 1.02 -0.94 -5.04 119.74 112.12 1aus s LYS 164 Ca 0.28 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.51 1aus s LYS 164 Cb -0.13 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1aus s LYS 164 CO 0.79 -0.39 -0.12 0.71 -0.92 0.00 0.00 175.35 175.42 1aus s TYR 165 N 1.40 1.19 -1.14 3.18 2.02 -1.26 -4.71 117.35 118.03 1aus s TYR 165 Ca -0.00 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 1aus s TYR 165 Cb -0.16 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 1aus s TYR 165 CO -0.09 0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.36 1aus n GLY 166 N 0.72 0.57 3.54 0.71 0.00 -1.26 -5.01 105.19 104.46 1aus n GLY 166 Ca -0.17 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1aus n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1aus s ARG 167 N -3.82 0.66 0.72 1.61 1.70 -1.26 -5.00 118.95 113.56 1aus s ARG 167 Ca 0.00 -0.15 -0.14 0.00 -0.47 0.00 0.00 55.73 54.97 1aus s ARG 167 Cb 0.00 0.31 0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1aus s ARG 167 CO 0.00 -0.27 1.16 -2.14 -1.08 0.00 0.00 175.30 172.97 1aus s PRO 168 N -2.44 2.30 0.37 3.89 0.02 -1.17 -4.77 135.00 133.20 1aus s PRO 168 Ca 0.04 1.57 -0.05 0.00 0.02 0.00 0.00 61.00 62.58 1aus s PRO 168 Cb -0.01 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1aus s PRO 168 CO -0.05 -1.67 0.65 -0.51 -0.33 0.00 0.00 177.00 175.08 1aus s LEU 169 N -5.22 3.89 -0.07 -5.54 1.43 -0.19 -4.94 118.68 108.05 1aus s LEU 169 Ca 0.70 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.62 1aus s LEU 169 Cb -0.25 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.32 1aus s LEU 169 CO 0.46 -0.36 -0.20 -0.76 0.23 0.00 0.00 176.35 175.72 1aus s LEU 170 N -4.11 1.94 0.23 1.79 1.43 -1.26 -0.46 118.68 118.23 1aus s LEU 170 Ca 0.45 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 1aus s LEU 170 Cb -0.10 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 1aus s LEU 170 CO 0.36 0.15 -0.04 -0.83 0.23 0.00 0.00 176.35 176.22 1aus s GLY 171 N 0.20 1.53 -0.06 -3.19 0.00 -0.00 -0.78 107.32 105.02 1aus s GLY 171 Ca -0.10 -1.75 -0.02 0.00 0.00 0.00 0.00 44.72 42.85 1aus s GLY 171 CO 0.05 -1.70 0.11 0.00 0.00 0.00 0.00 173.10 171.55 1aus s THR 173 N 2.02 5.01 -0.04 0.00 2.01 -1.22 -1.23 115.64 122.19 1aus s THR 173 Ca 0.02 1.44 -0.30 0.00 0.31 0.00 0.00 61.69 63.16 1aus s THR 173 Cb -0.12 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1aus s THR 173 CO -0.04 0.18 1.14 -0.63 -0.69 0.00 0.00 174.62 174.57 1aus s ILE 174 N 1.29 4.39 0.08 1.82 -1.09 -0.96 -4.51 121.20 122.22 1aus s ILE 174 Ca 0.36 1.71 0.03 0.00 -2.23 0.00 0.00 60.65 60.52 1aus s ILE 174 Cb -0.17 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1aus s ILE 174 CO 0.16 0.04 -0.09 -1.59 -1.23 0.00 0.00 174.94 172.23 1aus s LYS 175 N 1.82 0.75 0.60 2.79 -2.85 -1.26 -4.19 119.74 117.41 1aus s LYS 175 Ca 0.54 -1.08 -0.18 0.00 -1.00 0.00 0.00 55.97 54.25 1aus s LYS 175 Cb -0.24 -0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 35.09 1aus s LYS 175 CO 0.23 0.06 1.18 -1.25 0.10 0.00 0.00 175.35 175.67 1aus s PRO 176 N -2.64 2.98 0.21 1.78 0.04 -1.26 -5.09 135.00 131.02 1aus s PRO 176 Ca 0.02 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 1aus s PRO 176 Cb -0.03 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 32.73 1aus s PRO 176 CO -0.01 -1.18 1.80 1.57 0.04 0.00 0.00 177.00 179.22 1aus h LYS 177 N 0.79 1.18 -6.23 4.56 2.10 -2.00 -3.43 116.57 113.55 1aus h LYS 177 Ca -0.50 -0.19 -0.60 0.00 -2.00 0.00 0.00 60.65 57.36 1aus h LYS 177 Cb 1.29 -0.20 -0.25 0.00 -0.90 0.00 0.00 32.23 32.16 1aus h LYS 177 CO 0.55 0.93 -0.85 -0.51 -2.00 0.00 0.00 179.45 177.57 1aus s LEU 178 N -9.78 2.19 0.00 7.07 1.43 -1.26 -4.81 118.68 113.52 1aus s LEU 178 Ca -0.12 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1aus s LEU 178 Cb 0.16 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1aus s LEU 178 CO 0.83 0.16 0.00 0.61 0.23 0.00 0.00 176.35 178.19 1aus n GLY 179 N 1.71 2.52 3.84 -3.19 0.00 -1.26 -5.10 105.19 103.70 1aus n GLY 179 Ca -0.17 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1aus n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aus s LEU 180 N 0.00 3.74 0.70 0.99 1.43 -1.26 -5.05 118.68 119.23 1aus s LEU 180 Ca 0.00 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 1aus s LEU 180 Cb 0.00 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.73 1aus s LEU 180 CO 0.00 -0.50 1.08 -0.94 0.23 0.00 0.00 176.35 176.22 1aus s SER 181 N -2.75 5.39 0.19 2.29 1.04 -1.26 -4.72 113.70 113.87 1aus s SER 181 Ca 0.60 1.06 -0.13 0.00 0.48 0.00 0.00 55.95 57.96 1aus s SER 181 Cb -0.10 -1.85 0.19 0.00 0.10 0.00 0.00 66.02 64.36 1aus s SER 181 CO 0.25 -1.36 1.73 0.00 0.98 0.00 0.00 173.24 174.85 1aus h ALA 182 N -0.64 0.60 -0.48 5.32 0.00 -1.92 -1.15 119.26 120.99 1aus h ALA 182 Ca -0.45 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1aus h ALA 182 Cb 1.26 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1aus h ALA 182 CO 0.64 -0.25 0.22 -0.22 0.00 0.00 0.00 179.25 179.63 1aus h LYS 183 N 0.31 0.69 -0.40 0.00 3.64 -1.93 -0.82 116.57 118.06 1aus h LYS 183 Ca 0.25 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1aus h LYS 183 Cb 0.30 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1aus h LYS 183 CO -0.28 0.59 0.06 -0.91 -2.27 0.00 0.00 179.45 176.65 1aus h ASN 184 N 0.63 0.57 -0.33 4.20 -0.26 -1.87 0.15 115.58 118.67 1aus h ASN 184 Ca 0.16 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1aus h ASN 184 Cb 0.14 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1aus h ASN 184 CO -0.02 0.59 0.09 0.22 -1.06 0.00 0.00 177.43 177.25 1aus h TYR 185 N 0.59 0.54 -0.43 1.19 5.03 -0.95 -2.20 116.97 120.75 1aus h TYR 185 Ca 0.13 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 1aus h TYR 185 Cb 0.28 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 1aus h TYR 185 CO 0.01 0.56 -0.03 0.78 -1.32 0.00 0.00 178.16 178.16 1aus h GLY 186 N 0.37 0.76 0.83 1.82 0.00 -0.19 -2.14 103.07 104.53 1aus h GLY 186 Ca 0.10 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.94 1aus h GLY 186 CO -0.00 0.47 0.07 -0.09 0.00 0.00 0.00 176.54 177.00 1aus h ARG 187 N 0.66 0.17 -0.65 4.80 2.43 -0.48 -1.16 114.38 120.16 1aus h ARG 187 Ca 0.13 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1aus h ARG 187 Cb 0.46 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1aus h ARG 187 CO 0.02 0.11 0.43 0.00 -1.51 0.00 0.00 179.97 179.02 1aus h ALA 188 N 1.13 1.64 -0.26 2.80 0.00 -1.04 -1.89 119.26 121.64 1aus h ALA 188 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1aus h ALA 188 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1aus h ALA 188 CO -0.09 0.29 0.08 0.28 0.00 0.00 0.00 179.25 179.81 1aus h VAL 189 N 0.77 1.20 -0.23 0.00 2.07 -0.76 -2.04 116.25 117.27 1aus h VAL 189 Ca 0.26 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1aus h VAL 189 Cb 0.07 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1aus h VAL 189 CO -0.07 0.21 0.12 0.22 0.02 0.00 0.00 177.57 178.06 1aus h TYR 190 N 0.26 0.33 -0.36 1.57 3.20 -0.68 -1.68 116.97 119.62 1aus h TYR 190 Ca 0.08 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1aus h TYR 190 Cb 0.24 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1aus h TYR 190 CO 0.00 0.31 0.17 0.93 -1.64 0.00 0.00 178.16 177.93 1aus h GLU 191 N 0.26 0.49 0.13 1.82 4.39 -1.32 -1.25 114.58 119.10 1aus h GLU 191 Ca 0.08 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1aus h GLU 191 Cb 0.10 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1aus h GLU 191 CO -0.01 0.39 -0.06 0.00 -1.16 0.00 0.00 179.01 178.16 1aus h LEU 193 N -0.71 1.06 -2.10 0.00 3.38 -1.11 -2.84 115.31 112.99 1aus h LEU 193 Ca -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1aus h LEU 193 Cb 0.52 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1aus h LEU 193 CO 0.03 0.92 -0.01 0.08 0.09 0.00 0.00 178.44 179.55 1aus h ARG 194 N 1.13 0.00 0.00 1.13 0.11 -1.34 -2.46 114.38 112.95 1aus h ARG 194 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1aus h ARG 194 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1aus h ARG 194 CO -0.03 0.01 0.00 0.41 0.10 0.00 0.00 179.97 180.47 1aus n GLY 195 N -0.46 -1.45 0.00 0.08 0.00 -1.07 -4.89 105.19 97.40 1aus n GLY 195 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1aus n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aus n GLY 196 N 1.39 0.84 3.85 -0.02 0.00 -0.93 -2.32 105.19 108.00 1aus n GLY 196 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1aus n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aus s LEU 197 N 0.00 3.79 0.01 0.99 1.43 -1.25 -4.83 118.68 118.83 1aus s LEU 197 Ca 0.00 1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1aus s LEU 197 Cb 0.00 -4.35 -0.27 0.00 0.03 0.00 0.00 46.19 41.59 1aus s LEU 197 CO 0.00 -0.45 0.87 0.44 0.23 0.00 0.00 176.35 177.44 1aus h ASP 198 N 1.37 0.37 -4.80 2.29 3.32 -1.29 -3.43 116.42 114.26 1aus h ASP 198 Ca -0.47 -0.51 -0.22 0.00 0.02 0.00 0.00 57.03 55.84 1aus h ASP 198 Cb 1.18 -0.12 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 1aus h ASP 198 CO 0.62 1.43 -0.71 -0.36 -1.72 0.00 0.00 179.24 178.50 1aus s PHE 199 N -2.62 0.67 0.37 4.55 0.08 -0.53 -1.79 117.98 118.71 1aus s PHE 199 Ca -0.09 -0.72 0.08 0.00 0.12 0.00 0.00 56.93 56.33 1aus s PHE 199 Cb 0.07 -0.41 -0.07 0.00 -0.57 0.00 0.00 43.02 42.04 1aus s PHE 199 CO 0.85 -0.16 -0.04 0.95 -0.10 0.00 0.00 175.22 176.72 1aus s THR 200 N -2.50 2.15 -0.04 0.64 -4.23 -0.67 -1.11 115.64 109.89 1aus s THR 200 Ca -0.01 -2.11 -0.12 0.00 -1.18 0.00 0.00 61.69 58.27 1aus s THR 200 Cb -0.02 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 71.03 1aus s THR 200 CO -0.03 -0.11 0.28 -0.75 -0.54 0.00 0.00 174.62 173.47 1aus s LYS 201 N -3.66 0.55 0.09 3.99 2.20 -0.36 -0.80 119.74 121.74 1aus s LYS 201 Ca 0.34 -0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.66 1aus s LYS 201 Cb 0.06 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.56 1aus s LYS 201 CO 0.17 -0.13 0.75 -0.51 -0.36 0.00 0.00 175.35 175.27 1aus s ASP 202 N -0.90 7.26 0.70 1.43 1.01 -1.04 -2.26 116.67 122.87 1aus s ASP 202 Ca -0.10 1.50 -0.15 0.00 0.71 0.00 0.00 52.55 54.51 1aus s ASP 202 Cb -0.05 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.44 1aus s ASP 202 CO 0.03 0.12 1.17 -0.62 0.21 0.00 0.00 175.17 176.07 1aus s ASP 203 N -0.57 4.54 0.55 0.27 2.15 -1.26 -4.90 116.67 117.46 1aus s ASP 203 Ca 0.36 2.23 0.23 0.00 0.43 0.00 0.00 52.55 55.80 1aus s ASP 203 Cb -0.21 -2.58 1.50 0.00 -0.30 0.00 0.00 42.92 41.34 1aus s ASP 203 CO 0.24 -2.03 2.14 1.05 -0.17 0.00 0.00 175.17 176.40 1aus h GLU 204 N -0.16 0.00 0.00 4.34 9.09 -1.99 -1.00 114.58 124.86 1aus h GLU 204 Ca -0.47 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.87 1aus h GLU 204 Cb 1.28 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.37 1aus h GLU 204 CO 0.51 0.00 -0.32 -0.91 0.05 0.00 0.00 179.01 178.34 1aus h ASN 205 N 0.00 0.00 -2.42 3.06 2.35 -1.98 -3.43 115.58 113.16 1aus h ASN 205 Ca 0.06 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.27 1aus h ASN 205 Cb 0.26 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 1aus h ASN 205 CO -0.00 0.32 1.13 -0.69 -1.65 0.00 0.00 177.43 176.54 1aus s VAL 206 N -3.32 3.67 0.00 2.81 1.01 -0.38 -4.79 120.40 119.40 1aus s VAL 206 Ca 0.03 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1aus s VAL 206 Cb 0.09 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1aus s VAL 206 CO 0.69 -1.47 0.00 0.59 0.00 0.00 0.00 175.10 174.91 1aus n ASN 207 N 10.12 0.00 -3.59 3.32 5.03 -1.26 -4.66 115.26 124.21 1aus n ASN 207 Ca 0.09 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.40 1aus n ASN 207 Cb 0.50 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.13 1aus n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1aus s SER 208 N 0.99 0.54 0.16 6.41 0.15 -1.26 -4.07 113.70 116.61 1aus s SER 208 Ca 0.00 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.05 1aus s SER 208 Cb 0.00 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 1aus s SER 208 CO 0.00 -0.26 0.02 -1.10 1.20 0.00 0.00 173.24 173.09 1aus s GLN 209 N 2.42 1.05 0.30 5.44 1.11 -0.98 -4.91 119.66 124.09 1aus s GLN 209 Ca 0.04 -1.50 0.03 0.00 0.01 0.00 0.00 55.36 53.94 1aus s GLN 209 Cb -0.13 -0.12 0.78 0.00 -1.01 0.00 0.00 33.01 32.53 1aus s GLN 209 CO -0.10 -0.17 1.61 -1.35 0.01 0.00 0.00 175.29 175.29 1aus h PRO 210 N 2.75 0.10 -0.00 2.91 0.11 -2.02 -1.26 132.00 134.59 1aus h PRO 210 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1aus h PRO 210 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aus h PRO 210 CO 0.62 0.06 -0.25 0.34 -0.21 0.00 0.00 178.00 178.56 1aus n PHE 211 N -5.34 0.00 -3.22 0.65 7.35 -1.26 -4.63 117.46 111.01 1aus n PHE 211 Ca 0.23 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.91 1aus n PHE 211 Cb 0.77 -0.20 -0.02 0.00 0.35 0.00 0.00 39.48 40.37 1aus n PHE 211 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1aus s MET 212 N -2.66 0.61 0.46 -4.13 1.75 -0.48 -4.40 119.30 110.45 1aus s MET 212 Ca 0.21 0.10 -0.21 0.00 -1.25 0.00 0.00 55.69 54.55 1aus s MET 212 Cb 0.19 -0.00 -0.09 0.00 2.84 0.00 0.00 34.83 37.77 1aus s MET 212 CO 0.55 -1.10 1.03 1.03 -0.65 0.00 0.00 175.02 175.89 1aus s ARG 213 N 2.37 3.91 0.22 4.11 1.81 -1.18 -2.32 118.95 127.87 1aus s ARG 213 Ca 0.12 1.38 -0.09 0.00 -1.72 0.00 0.00 55.73 55.42 1aus s ARG 213 Cb -0.09 -2.19 0.32 0.00 -0.45 0.00 0.00 34.95 32.53 1aus s ARG 213 CO -0.20 -0.34 1.72 0.11 -0.68 0.00 0.00 175.30 175.92 1aus h TRP 214 N 1.78 0.33 -0.83 -0.53 5.08 -1.89 -2.72 115.95 117.18 1aus h TRP 214 Ca -0.49 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.48 1aus h TRP 214 Cb 1.22 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 27.29 1aus h TRP 214 CO 0.57 0.04 0.40 -0.09 -1.28 0.00 0.00 178.44 178.08 1aus h ARG 215 N 0.35 1.19 -0.64 0.12 2.43 -1.93 0.16 114.38 116.07 1aus h ARG 215 Ca 0.33 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1aus h ARG 215 Cb 0.46 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1aus h ARG 215 CO -0.36 0.92 0.20 -0.44 -1.51 0.00 0.00 179.97 178.77 1aus h ASP 216 N 1.18 0.94 0.30 -3.80 3.32 -1.92 -1.68 116.42 114.76 1aus h ASP 216 Ca 0.28 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1aus h ASP 216 Cb 0.12 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1aus h ASP 216 CO -0.04 0.90 -0.14 -0.09 -1.72 0.00 0.00 179.24 178.15 1aus h ARG 217 N 0.93 -0.39 -0.54 3.56 2.43 -1.11 -1.51 114.38 117.75 1aus h ARG 217 Ca 0.21 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.51 1aus h ARG 217 Cb 0.30 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.84 1aus h ARG 217 CO -0.01 -0.18 -0.04 0.74 -1.51 0.00 0.00 179.97 178.97 1aus h PHE 218 N -0.53 -0.11 -0.19 2.20 -1.00 -0.83 -0.24 116.94 116.25 1aus h PHE 218 Ca -0.04 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1aus h PHE 218 Cb 0.39 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 1aus h PHE 218 CO -0.02 -0.16 0.10 1.25 -1.61 0.00 0.00 178.31 177.86 1aus h LEU 219 N 0.08 0.23 -0.73 1.54 6.46 -1.22 -0.38 115.31 121.29 1aus h LEU 219 Ca 0.27 -0.10 -0.13 0.00 -0.12 0.00 0.00 57.88 57.80 1aus h LEU 219 Cb 0.42 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1aus h LEU 219 CO -0.49 0.26 -0.53 -0.26 -0.62 0.00 0.00 178.44 176.80 1aus h PHE 220 N 0.19 0.34 -0.17 1.25 0.04 -1.04 -2.35 116.94 115.20 1aus h PHE 220 Ca 0.06 -0.12 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 1aus h PHE 220 Cb 0.09 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1aus h PHE 220 CO -0.03 0.75 -0.40 0.00 -0.60 0.00 0.00 178.31 178.02 1aus h ALA 222 N 1.26 0.32 -0.18 0.00 0.00 -0.86 -0.86 119.26 118.95 1aus h ALA 222 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1aus h ALA 222 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1aus h ALA 222 CO 0.07 0.03 0.11 1.49 0.00 0.00 0.00 179.25 180.95 1aus h GLU 223 N 0.20 0.24 -0.16 0.00 4.81 -1.31 -2.34 114.58 116.02 1aus h GLU 223 Ca 0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1aus h GLU 223 Cb 0.37 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1aus h GLU 223 CO 0.01 0.18 0.04 0.00 -0.73 0.00 0.00 179.01 178.51 1aus h ALA 224 N 1.04 0.16 -0.26 2.92 0.00 -1.33 -1.78 119.26 120.01 1aus h ALA 224 Ca 0.06 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1aus h ALA 224 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aus h ALA 224 CO -0.01 -0.40 -0.21 1.37 0.00 0.00 0.00 179.25 180.00 1aus h LEU 225 N 0.11 0.47 -0.59 0.00 8.10 -1.08 -1.44 115.31 120.88 1aus h LEU 225 Ca 0.07 -0.14 -0.15 0.00 0.11 0.00 0.00 57.88 57.76 1aus h LEU 225 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.13 1aus h LEU 225 CO -0.08 0.69 -0.51 1.88 -4.11 0.00 0.00 178.44 176.31 1aus h TYR 226 N 0.43 0.63 -0.06 0.17 0.05 -1.34 -1.13 116.97 115.71 1aus h TYR 226 Ca 0.07 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 1aus h TYR 226 Cb 0.60 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 1aus h TYR 226 CO 0.02 0.92 0.02 -0.22 -1.05 0.00 0.00 178.16 177.85 1aus h LYS 227 N 0.40 0.10 -0.77 4.88 3.64 -1.01 -1.17 116.57 122.65 1aus h LYS 227 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1aus h LYS 227 Cb 1.03 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1aus h LYS 227 CO 0.09 0.25 0.37 0.00 -2.27 0.00 0.00 179.45 177.89 1aus h ALA 228 N 0.84 0.99 -0.70 5.00 0.00 -1.22 -1.03 119.26 123.14 1aus h ALA 228 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1aus h ALA 228 Cb 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1aus h ALA 228 CO -0.00 0.55 0.21 0.37 0.00 0.00 0.00 179.25 180.38 1aus h GLN 229 N 1.08 1.09 -0.13 0.00 4.15 -1.12 -1.49 115.11 118.69 1aus h GLN 229 Ca 0.26 -0.24 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1aus h GLN 229 Cb 0.12 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1aus h GLN 229 CO -0.03 0.95 -0.44 0.00 -1.93 0.00 0.00 178.83 177.38 1aus h ALA 230 N 1.10 1.01 -0.07 3.38 0.00 -0.92 -0.64 119.26 123.12 1aus h ALA 230 Ca 0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1aus h ALA 230 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1aus h ALA 230 CO -0.00 0.62 -0.15 1.49 0.00 0.00 0.00 179.25 181.21 1aus h GLU 231 N 0.25 0.22 0.00 0.00 4.81 -0.94 -3.36 114.58 115.56 1aus h GLU 231 Ca 0.02 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 58.91 1aus h GLU 231 Cb 0.88 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1aus h GLU 231 CO 0.07 0.74 -1.27 1.79 -0.73 0.00 0.00 179.01 179.61 1aus h THR 232 N -0.28 0.80 0.00 0.32 1.35 -1.31 -3.48 112.91 110.31 1aus h THR 232 Ca 0.00 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1aus h THR 232 Cb 0.74 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1aus h THR 232 CO 0.03 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1aus n GLY 233 N 1.40 1.14 3.77 5.82 0.00 -0.25 -5.03 105.19 112.03 1aus n GLY 233 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1aus n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aus s GLU 234 N -0.36 3.04 0.21 1.61 2.02 -1.25 -5.04 118.70 118.93 1aus s GLU 234 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 1aus s GLU 234 Cb 0.00 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 1aus s GLU 234 CO 0.00 0.65 1.35 0.42 0.02 0.00 0.00 175.26 177.70 1aus s ILE 235 N -1.17 3.05 0.22 -1.63 1.01 -1.26 -4.49 121.20 116.92 1aus s ILE 235 Ca 0.22 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.80 1aus s ILE 235 Cb -0.12 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1aus s ILE 235 CO 0.13 0.13 -0.11 -0.54 0.00 0.00 0.00 174.94 174.54 1aus s LYS 236 N -0.10 1.38 0.11 2.79 -0.14 -1.26 -4.89 119.74 117.63 1aus s LYS 236 Ca 0.58 -1.64 -0.16 0.00 -1.36 0.00 0.00 55.97 53.39 1aus s LYS 236 Cb -0.38 -1.08 0.03 0.00 -1.68 0.00 0.00 37.83 34.72 1aus s LYS 236 CO 0.39 0.13 0.40 0.20 -0.76 0.00 0.00 175.35 175.71 1aus s GLY 237 N -3.34 -0.27 -0.06 -3.33 0.00 -0.74 -4.79 107.32 94.79 1aus s GLY 237 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1aus s GLY 237 CO 0.08 -0.26 -0.03 -1.58 0.00 0.00 0.00 173.10 171.31 1aus s HIS 238 N -3.61 0.81 -0.70 1.90 2.46 -1.26 -1.67 115.29 113.23 1aus s HIS 238 Ca 0.02 -0.26 -0.26 0.00 0.47 0.00 0.00 55.06 55.03 1aus s HIS 238 Cb 0.02 -0.78 -0.02 0.00 -0.13 0.00 0.00 32.58 31.67 1aus s HIS 238 CO -0.11 -0.28 1.78 0.71 -2.47 0.00 0.00 174.74 174.38 1aus s TYR 239 N 1.37 1.81 -0.30 3.88 2.02 0.02 -4.60 117.35 121.54 1aus s TYR 239 Ca -0.04 0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 56.94 1aus s TYR 239 Cb -0.13 -4.18 0.01 0.00 -0.40 0.00 0.00 41.96 37.26 1aus s TYR 239 CO -0.03 -2.16 1.14 -0.51 -1.57 0.00 0.00 175.55 172.43 1aus s LEU 240 N 8.64 3.94 -0.26 -1.29 1.43 -1.21 -2.50 118.68 127.42 1aus s LEU 240 Ca 0.62 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 1aus s LEU 240 Cb -0.10 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 1aus s LEU 240 CO 0.14 -0.92 1.47 0.21 0.23 0.00 0.00 176.35 177.49 1aus s ASN 241 N 1.93 6.50 0.00 2.29 3.04 -1.26 -0.26 114.94 127.18 1aus s ASN 241 Ca 0.48 1.41 0.24 0.00 0.04 0.00 0.00 52.86 55.03 1aus s ASN 241 Cb -0.14 -2.54 0.18 0.00 -1.54 0.00 0.00 41.25 37.21 1aus s ASN 241 CO 0.17 -1.19 1.24 0.00 -3.04 0.00 0.00 177.10 174.28 1aus n ALA 242 N 8.12 2.67 -1.66 1.71 0.00 -0.17 -4.84 120.51 126.35 1aus n ALA 242 Ca 0.17 -0.67 -0.46 0.00 0.00 0.00 0.00 53.44 52.47 1aus n ALA 242 Cb 0.46 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 1aus n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1aus n THR 243 N 1.06 0.48 -4.08 0.00 -1.04 -1.25 -4.41 114.28 105.04 1aus n THR 243 Ca 0.13 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.05 61.88 1aus n THR 243 Cb 0.57 -1.40 -0.04 0.00 -1.82 0.00 0.00 70.33 67.64 1aus n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aus s ALA 244 N 0.37 0.72 0.02 2.41 0.00 -1.26 -4.83 121.76 119.19 1aus s ALA 244 Ca 0.74 -1.49 0.17 0.00 0.00 0.00 0.00 51.96 51.38 1aus s ALA 244 Cb -0.70 1.13 0.40 0.00 0.00 0.00 0.00 23.12 23.96 1aus s ALA 244 CO 0.45 -0.80 1.60 0.78 0.00 0.00 0.00 175.76 177.79 1aus h GLY 245 N 2.10 0.00 -2.89 0.00 0.00 -1.95 -3.47 103.07 96.87 1aus h GLY 245 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.83 1aus h GLY 245 CO 0.39 0.00 -0.67 -0.51 0.00 0.00 0.00 176.54 175.75 1aus s THR 246 N -3.29 0.42 0.25 4.70 -4.23 -1.26 -5.04 115.64 107.19 1aus s THR 246 Ca 0.02 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.55 1aus s THR 246 Cb 0.09 -1.95 0.26 0.00 1.34 0.00 0.00 72.50 72.24 1aus s THR 246 CO 0.71 -0.60 1.92 0.00 -0.54 0.00 0.00 174.62 176.11 1aus h GLU 248 N 1.32 0.13 -0.76 0.00 3.07 -1.99 0.17 114.58 116.52 1aus h GLU 248 Ca 0.38 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.17 1aus h GLU 248 Cb -0.10 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1aus h GLU 248 CO -0.10 0.08 0.25 -0.44 -1.40 0.00 0.00 179.01 177.41 1aus h ASP 249 N 0.13 1.09 -0.57 1.42 3.32 -1.91 -1.36 116.42 118.53 1aus h ASP 249 Ca 0.04 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1aus h ASP 249 Cb -0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1aus h ASP 249 CO -0.01 1.00 0.20 -0.03 -1.72 0.00 0.00 179.24 178.67 1aus h MET 250 N 1.12 0.88 -0.31 3.56 1.85 -1.04 -2.76 114.93 118.24 1aus h MET 250 Ca 0.25 -0.18 -0.11 0.00 -0.61 0.00 0.00 59.70 59.05 1aus h MET 250 Cb 0.29 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1aus h MET 250 CO -0.01 0.78 -0.26 0.52 -0.40 0.00 0.00 176.91 177.54 1aus h MET 251 N 0.80 0.62 -0.65 0.39 2.86 -0.72 -2.62 114.93 115.61 1aus h MET 251 Ca 0.19 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1aus h MET 251 Cb 0.26 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1aus h MET 251 CO -0.01 0.82 0.40 0.87 1.06 0.00 0.00 176.91 180.05 1aus h LYS 252 N 0.54 0.87 -0.22 1.72 1.57 -1.05 -0.62 116.57 119.38 1aus h LYS 252 Ca 0.07 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1aus h LYS 252 Cb 0.73 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1aus h LYS 252 CO 0.06 0.61 -0.59 0.00 -0.57 0.00 0.00 179.45 178.95 1aus h ARG 253 N 0.89 0.80 -0.51 3.15 3.08 -1.26 -2.63 114.38 117.91 1aus h ARG 253 Ca 0.24 -0.56 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 1aus h ARG 253 Cb -0.05 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1aus h ARG 253 CO -0.05 1.18 -0.13 0.00 -1.07 0.00 0.00 179.97 179.90 1aus h ALA 254 N 0.61 0.80 -0.64 0.04 0.00 -1.19 -2.45 119.26 116.44 1aus h ALA 254 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1aus h ALA 254 Cb 1.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1aus h ALA 254 CO 0.13 0.66 0.27 0.28 0.00 0.00 0.00 179.25 180.59 1aus h VAL 255 N 0.86 1.23 -0.28 0.00 2.07 -1.14 -1.58 116.25 117.41 1aus h VAL 255 Ca 0.13 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1aus h VAL 255 Cb 0.69 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1aus h VAL 255 CO 0.05 0.28 -0.15 0.15 0.02 0.00 0.00 177.57 177.92 1aus h PHE 256 N 0.90 0.52 -0.69 1.57 3.57 -1.29 -1.05 116.94 120.47 1aus h PHE 256 Ca 0.22 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1aus h PHE 256 Cb 0.18 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1aus h PHE 256 CO 0.01 0.62 0.32 0.00 -2.23 0.00 0.00 178.31 177.02 1aus h ALA 257 N 1.40 0.89 -0.47 2.41 0.00 -0.95 -0.25 119.26 122.29 1aus h ALA 257 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1aus h ALA 257 Cb 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1aus h ALA 257 CO 0.03 0.47 0.25 -0.09 0.00 0.00 0.00 179.25 179.91 1aus h ARG 258 N 0.97 0.67 -0.73 0.00 1.12 -0.91 -2.28 114.38 113.20 1aus h ARG 258 Ca 0.24 -0.09 0.03 0.00 -1.11 0.00 0.00 59.98 59.05 1aus h ARG 258 Cb 0.14 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 29.93 1aus h ARG 258 CO -0.03 0.54 0.46 1.49 -3.11 0.00 0.00 179.97 179.33 1aus h GLU 259 N 0.62 0.88 0.00 0.20 4.81 -0.60 -1.18 114.58 119.31 1aus h GLU 259 Ca 0.16 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1aus h GLU 259 Cb 0.08 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1aus h GLU 259 CO -0.02 0.58 0.00 1.28 -0.73 0.00 0.00 179.01 180.12 1aus n LEU 260 N -4.64 0.61 -0.03 1.64 4.77 -0.16 -4.88 117.00 114.30 1aus n LEU 260 Ca 0.08 0.66 -0.00 0.00 -0.03 0.00 0.00 56.01 56.71 1aus n LEU 260 Cb 0.08 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1aus n LEU 260 CO 0.33 -0.55 -0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1aus n GLY 261 N -0.06 0.46 3.80 -0.72 0.00 -0.45 -5.03 105.19 103.19 1aus n GLY 261 Ca 0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1aus n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aus s VAL 262 N -1.91 3.79 -0.17 1.61 -7.23 -1.16 -5.02 120.40 110.30 1aus s VAL 262 Ca 0.00 0.58 0.16 0.00 -1.81 0.00 0.00 61.98 60.91 1aus s VAL 262 Cb 0.00 -3.25 0.05 0.00 0.56 0.00 0.00 36.38 33.74 1aus s VAL 262 CO 0.00 -0.76 1.36 1.55 -0.31 0.00 0.00 175.10 176.94 1aus h PRO 263 N -0.85 0.00 -3.16 4.82 0.13 -1.90 -3.45 132.00 127.58 1aus h PRO 263 Ca -0.44 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.52 1aus h PRO 263 Cb 1.22 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 1aus h PRO 263 CO 0.55 0.43 -0.44 -1.50 -0.23 0.00 0.00 178.00 176.81 1aus s ILE 264 N -2.98 -0.00 0.40 -3.56 2.07 -1.26 -0.92 121.20 114.95 1aus s ILE 264 Ca 0.03 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.35 1aus s ILE 264 Cb 0.08 -0.33 -0.07 0.00 0.13 0.00 0.00 42.46 42.26 1aus s ILE 264 CO 0.75 0.00 0.05 0.68 -1.91 0.00 0.00 174.94 174.51 1aus s VAL 265 N 0.13 2.12 0.07 4.00 -7.23 -0.89 -3.35 120.40 115.25 1aus s VAL 265 Ca -0.00 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1aus s VAL 265 Cb -0.02 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1aus s VAL 265 CO 0.00 -0.02 -0.09 -0.32 -0.31 0.00 0.00 175.10 174.36 1aus s MET 266 N -3.75 0.71 -0.10 4.82 1.75 0.64 -0.70 119.30 122.67 1aus s MET 266 Ca 0.36 -0.98 -0.09 0.00 -1.25 0.00 0.00 55.69 53.73 1aus s MET 266 Cb 0.08 -0.43 0.03 0.00 2.84 0.00 0.00 34.83 37.34 1aus s MET 266 CO 0.19 0.07 0.26 -1.58 -0.65 0.00 0.00 175.02 173.31 1aus s HIS 267 N -1.98 -0.29 -0.89 4.11 5.04 -0.58 -1.00 115.29 119.70 1aus s HIS 267 Ca -0.01 0.71 -0.18 0.00 -1.54 0.00 0.00 55.06 54.04 1aus s HIS 267 Cb -0.06 0.09 0.15 0.00 0.04 0.00 0.00 32.58 32.81 1aus s HIS 267 CO -0.00 -0.15 1.02 -0.51 -2.34 0.00 0.00 174.74 172.76 1aus s ASP 268 N 0.28 6.64 0.56 9.88 1.01 -1.26 -1.81 116.67 131.98 1aus s ASP 268 Ca -0.01 -2.17 0.25 0.00 0.71 0.00 0.00 52.55 51.33 1aus s ASP 268 Cb -0.03 -2.35 1.60 0.00 1.01 0.00 0.00 42.92 43.15 1aus s ASP 268 CO -0.01 -0.95 2.19 0.10 0.21 0.00 0.00 175.17 176.71 1aus h TYR 269 N 8.60 0.00 0.18 4.23 -0.00 -1.89 0.04 116.97 128.12 1aus h TYR 269 Ca 0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 58.73 58.53 1aus h TYR 269 Cb 1.03 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.77 1aus h TYR 269 CO 1.12 0.00 -1.52 -0.07 -0.00 0.00 0.00 178.16 177.70 1aus h LEU 270 N 0.00 0.59 0.05 0.10 3.38 -1.80 -0.53 115.31 117.10 1aus h LEU 270 Ca 0.02 -0.72 -0.26 0.00 0.09 0.00 0.00 57.88 57.01 1aus h LEU 270 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1aus h LEU 270 CO -0.00 1.59 -1.31 0.71 0.09 0.00 0.00 178.44 179.52 1aus h THR 271 N 0.10 1.37 0.03 0.22 1.35 -1.73 -3.26 112.91 110.98 1aus h THR 271 Ca -0.25 -3.07 -0.23 0.00 -0.55 0.00 0.00 66.41 62.31 1aus h THR 271 Cb 2.08 2.76 0.02 0.00 -1.73 0.00 0.00 68.15 71.27 1aus h THR 271 CO 0.21 0.83 -0.93 1.23 -0.25 0.00 0.00 175.52 176.61 1aus h GLY 272 N 2.55 0.65 0.00 5.82 0.00 -1.13 -3.50 103.07 107.45 1aus h GLY 272 Ca -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.00 1aus h GLY 272 CO 0.14 1.05 0.00 0.61 0.00 0.00 0.00 176.54 178.34 1aus n GLY 273 N 1.16 2.27 0.31 4.60 0.00 -0.21 -4.65 105.19 108.69 1aus n GLY 273 Ca -0.11 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 1aus n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1aus h PHE 274 N 0.00 1.05 -0.18 1.61 0.04 -1.88 -1.76 116.94 115.82 1aus h PHE 274 Ca 0.00 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 1aus h PHE 274 Cb 0.00 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 1aus h PHE 274 CO 0.00 0.90 0.10 1.15 -0.60 0.00 0.00 178.31 179.86 1aus h THR 275 N 0.94 1.10 -0.57 -1.55 2.02 -1.94 -1.74 112.91 111.17 1aus h THR 275 Ca 0.19 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1aus h THR 275 Cb 0.42 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1aus h THR 275 CO 0.01 0.10 -0.05 0.00 0.37 0.00 0.00 175.52 175.95 1aus h ALA 276 N 0.99 0.82 -0.48 6.16 0.00 -1.81 -2.75 119.26 122.19 1aus h ALA 276 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1aus h ALA 276 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1aus h ALA 276 CO -0.01 0.67 0.31 -0.97 0.00 0.00 0.00 179.25 179.25 1aus h ASN 277 N 0.94 0.56 -0.78 0.00 -0.73 -1.16 -1.59 115.58 112.82 1aus h ASN 277 Ca 0.16 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 1aus h ASN 277 Cb 0.61 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 39.02 1aus h ASN 277 CO 0.04 0.42 0.44 0.74 -0.37 0.00 0.00 177.43 178.70 1aus h THR 278 N 0.65 1.23 -0.11 -3.57 2.02 -1.28 0.18 112.91 112.03 1aus h THR 278 Ca 0.18 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1aus h THR 278 Cb -0.06 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1aus h THR 278 CO -0.04 0.25 0.08 0.74 0.37 0.00 0.00 175.52 176.92 1aus h THR 279 N 1.07 1.03 -0.68 3.16 2.02 -1.20 -0.92 112.91 117.39 1aus h THR 279 Ca 0.28 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 1aus h THR 279 Cb 0.01 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1aus h THR 279 CO -0.05 0.03 0.20 0.25 0.37 0.00 0.00 175.52 176.32 1aus h LEU 280 N 0.15 1.00 -0.56 2.58 5.85 -0.82 -1.81 115.31 121.70 1aus h LEU 280 Ca 0.04 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1aus h LEU 280 Cb -0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1aus h LEU 280 CO -0.01 0.94 0.29 -1.28 -0.34 0.00 0.00 178.44 178.04 1aus h SER 281 N 1.02 0.72 -0.56 1.25 0.87 -0.30 0.87 113.55 117.42 1aus h SER 281 Ca 0.22 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1aus h SER 281 Cb 0.31 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1aus h SER 281 CO -0.00 0.63 0.14 0.45 -0.53 0.00 0.00 176.83 177.51 1aus h HIS 282 N 0.75 0.93 -0.70 2.24 3.86 -0.84 -1.75 115.15 119.64 1aus h HIS 282 Ca 0.19 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1aus h HIS 282 Cb 0.09 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1aus h HIS 282 CO -0.01 0.80 0.20 -0.92 0.86 0.00 0.00 177.93 178.86 1aus h TYR 283 N 0.80 1.14 -0.65 2.45 3.20 -0.93 -1.67 116.97 121.30 1aus h TYR 283 Ca 0.18 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1aus h TYR 283 Cb 0.33 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1aus h TYR 283 CO 0.02 0.91 0.14 0.00 -1.64 0.00 0.00 178.16 177.60 1aus h ARG 285 N 0.99 0.58 0.00 0.00 9.65 -0.94 -0.60 114.38 124.05 1aus h ARG 285 Ca 0.21 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1aus h ARG 285 Cb 0.37 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1aus h ARG 285 CO 0.00 0.61 0.00 -0.25 2.80 0.00 0.00 179.97 183.13 1aus n ASP 286 N -4.61 0.36 0.00 -3.80 8.00 -0.66 -3.44 116.55 112.40 1aus n ASP 286 Ca -0.01 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1aus n ASP 286 Cb 0.19 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1aus n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1aus n ASN 287 N -1.88 1.57 -0.77 -2.24 3.02 -0.61 -5.02 115.26 109.33 1aus n ASN 287 Ca 0.04 -1.74 -0.09 0.00 -0.03 0.00 0.00 54.58 52.76 1aus n ASN 287 Cb 0.25 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1aus n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aus n GLY 288 N -0.37 0.82 3.81 7.41 0.00 -0.32 -5.02 105.19 111.51 1aus n GLY 288 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1aus n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aus s LEU 289 N -2.17 4.40 0.51 0.99 1.43 -0.67 -4.97 118.68 118.19 1aus s LEU 289 Ca 0.00 0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 1aus s LEU 289 Cb 0.00 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.65 1aus s LEU 289 CO 0.00 0.26 1.00 -0.76 0.23 0.00 0.00 176.35 177.08 1aus s LEU 290 N -0.58 3.71 -0.19 1.79 1.43 -0.10 -4.54 118.68 120.20 1aus s LEU 290 Ca 0.21 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1aus s LEU 290 Cb -0.15 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.59 1aus s LEU 290 CO 0.10 -0.68 -0.06 -0.22 0.23 0.00 0.00 176.35 175.72 1aus s LEU 291 N -3.85 2.01 -0.19 1.79 2.96 -1.26 -2.10 118.68 118.04 1aus s LEU 291 Ca 0.62 -0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 53.49 1aus s LEU 291 Cb -0.12 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1aus s LEU 291 CO 0.26 -0.19 0.47 -2.28 -1.32 0.00 0.00 176.35 173.29 1aus s HIS 292 N 1.52 3.39 -0.19 5.38 5.65 0.12 -0.50 115.29 130.66 1aus s HIS 292 Ca -0.02 0.73 -0.06 0.00 0.25 0.00 0.00 55.06 55.96 1aus s HIS 292 Cb -0.17 -2.61 -0.03 0.00 -1.18 0.00 0.00 32.58 28.60 1aus s HIS 292 CO -0.07 -0.04 0.03 0.42 -0.65 0.00 0.00 174.74 174.42 1aus s ILE 293 N 1.41 4.32 -0.10 0.89 -1.09 -0.38 -1.52 121.20 124.73 1aus s ILE 293 Ca 0.22 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1aus s ILE 293 Cb -0.15 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1aus s ILE 293 CO 0.09 0.43 0.02 -2.28 -1.23 0.00 0.00 174.94 171.97 1aus s HIS 294 N 0.77 3.20 -0.53 3.97 5.65 -0.75 -2.08 115.29 125.53 1aus s HIS 294 Ca 0.02 0.18 0.01 0.00 0.25 0.00 0.00 55.06 55.51 1aus s HIS 294 Cb -0.14 -1.85 0.54 0.00 -1.18 0.00 0.00 32.58 29.96 1aus s HIS 294 CO 0.02 0.43 1.95 2.89 -0.65 0.00 0.00 174.74 179.38 1aus n ARG 295 N 2.37 2.39 -1.58 2.88 1.85 -1.26 -3.17 116.66 120.14 1aus n ARG 295 Ca -0.18 -2.99 -0.45 0.00 -1.00 0.00 0.00 57.85 53.23 1aus n ARG 295 Cb 0.54 -2.17 -0.01 0.00 -1.05 0.00 0.00 32.46 29.76 1aus n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1aus n ALA 296 N -0.95 -0.37 -0.23 2.89 0.00 -1.26 -1.42 120.51 119.17 1aus n ALA 296 Ca 0.59 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1aus n ALA 296 Cb 1.17 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1aus n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1aus n MET 297 N 0.71 0.00 -0.28 0.00 0.00 -1.26 -4.41 117.12 111.87 1aus n MET 297 Ca 0.10 0.00 0.08 0.00 -0.00 0.00 0.00 57.70 57.88 1aus n MET 297 Cb 0.32 -1.58 0.31 0.00 0.00 0.00 0.00 33.22 32.27 1aus n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1aus h HIS 298 N 0.00 0.93 0.00 1.12 -0.00 -1.67 -0.91 115.15 114.62 1aus h HIS 298 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1aus h HIS 298 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.11 1aus h HIS 298 CO 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 177.93 178.34 1aus h ALA 299 N 1.57 1.00 -0.08 6.11 0.00 -1.91 -0.05 119.26 125.89 1aus h ALA 299 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1aus h ALA 299 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1aus h ALA 299 CO -0.18 0.00 -0.44 0.28 0.00 0.00 0.00 179.25 178.91 1aus h VAL 300 N 0.00 1.32 0.01 0.00 2.07 -1.58 -3.21 116.25 114.86 1aus h VAL 300 Ca 0.00 -1.57 -0.41 0.00 0.82 0.00 0.00 66.70 65.54 1aus h VAL 300 Cb 0.26 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1aus h VAL 300 CO 0.00 0.46 -2.39 -0.38 0.02 0.00 0.00 177.57 175.28 1aus n ILE 301 N -4.01 1.53 1.15 4.57 5.41 -0.29 -4.72 119.36 123.01 1aus n ILE 301 Ca -0.02 -0.46 0.12 0.00 1.00 0.00 0.00 62.75 63.39 1aus n ILE 301 Cb 0.49 -1.68 0.20 0.00 -0.71 0.00 0.00 39.64 37.95 1aus n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1aus n ASP 302 N -3.77 1.85 0.22 4.38 5.68 -0.19 -2.39 116.55 122.33 1aus n ASP 302 Ca -0.48 -1.43 -0.13 0.00 -0.50 0.00 0.00 54.79 52.25 1aus n ASP 302 Cb 0.93 0.22 -0.08 0.00 -1.14 0.00 0.00 41.12 41.05 1aus n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1aus h ARG 303 N 2.52 -0.55 -6.71 0.11 2.43 -1.77 -3.43 114.38 106.96 1aus h ARG 303 Ca 0.00 0.04 -0.52 0.00 -0.81 0.00 0.00 59.98 58.69 1aus h ARG 303 Cb 0.69 0.13 0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1aus h ARG 303 CO 0.00 -0.24 0.52 -0.65 -1.51 0.00 0.00 179.97 178.09 1aus s GLN 304 N -4.63 4.54 0.45 0.20 -1.52 -1.26 -4.94 119.66 112.50 1aus s GLN 304 Ca -0.14 1.84 0.22 0.00 -1.95 0.00 0.00 55.36 55.34 1aus s GLN 304 Cb 0.02 -3.22 1.06 0.00 -0.22 0.00 0.00 33.01 30.64 1aus s GLN 304 CO 0.50 0.02 1.91 -0.22 -0.25 0.00 0.00 175.29 177.25 1aus h LYS 305 N 4.73 0.00 0.00 2.91 3.64 -1.98 -3.25 116.57 122.61 1aus h LYS 305 Ca -0.45 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 1aus h LYS 305 Cb 1.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1aus h LYS 305 CO 0.72 0.24 -1.10 -2.95 -2.27 0.00 0.00 179.45 174.08 1aus h ASN 306 N 0.00 0.00 -3.57 4.20 -1.07 -1.94 -3.46 115.58 109.74 1aus h ASN 306 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.19 1aus h ASN 306 Cb 0.58 0.00 -0.28 0.00 -2.07 0.00 0.00 38.32 36.55 1aus h ASN 306 CO 0.03 0.50 -0.44 -2.28 0.07 0.00 0.00 177.43 175.32 1aus s HIS 307 N -2.97 -0.33 -1.71 4.14 5.04 -1.23 -2.69 115.29 115.54 1aus s HIS 307 Ca -0.01 0.78 0.00 0.00 -1.54 0.00 0.00 55.06 54.29 1aus s HIS 307 Cb 0.08 0.09 0.00 0.00 0.04 0.00 0.00 32.58 32.79 1aus s HIS 307 CO 0.79 -0.20 0.00 0.41 -2.34 0.00 0.00 174.74 173.40 1aus n GLY 308 N 3.62 0.44 2.86 1.59 0.00 -0.28 -4.45 105.19 108.96 1aus n GLY 308 Ca -0.19 -1.66 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 1aus n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aus s MET 309 N -1.22 0.35 0.54 1.61 -1.94 -1.01 -1.41 119.30 116.22 1aus s MET 309 Ca 0.00 0.00 -0.19 0.00 -1.71 0.00 0.00 55.69 53.79 1aus s MET 309 Cb 0.00 -0.46 -0.06 0.00 2.01 0.00 0.00 34.83 36.32 1aus s MET 309 CO 0.00 -0.07 1.09 -1.58 -0.01 0.00 0.00 175.02 174.45 1aus s HIS 310 N 0.71 2.80 0.52 -0.03 2.46 -0.28 -3.45 115.29 118.02 1aus s HIS 310 Ca -0.07 1.55 0.22 0.00 0.47 0.00 0.00 55.06 57.23 1aus s HIS 310 Cb -0.10 -3.18 1.32 0.00 -0.13 0.00 0.00 32.58 30.49 1aus s HIS 310 CO -0.01 -1.30 2.03 0.35 -2.47 0.00 0.00 174.74 173.34 1aus h PHE 311 N 1.12 0.05 -0.21 3.88 3.57 -1.91 -2.21 116.94 121.23 1aus h PHE 311 Ca -0.49 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.02 1aus h PHE 311 Cb 1.24 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1aus h PHE 311 CO 0.54 0.02 0.14 0.07 -2.23 0.00 0.00 178.31 176.85 1aus h ARG 312 N 0.05 0.24 -0.21 1.11 0.11 -1.91 0.14 114.38 113.91 1aus h ARG 312 Ca 0.20 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 60.15 1aus h ARG 312 Cb 0.71 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.74 1aus h ARG 312 CO -0.01 0.16 -0.29 0.28 0.10 0.00 0.00 179.97 180.20 1aus h VAL 313 N 0.25 1.33 -0.04 0.08 2.07 -1.64 -1.82 116.25 116.48 1aus h VAL 313 Ca 0.08 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1aus h VAL 313 Cb 0.02 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1aus h VAL 313 CO -0.02 0.46 -0.35 -0.07 0.02 0.00 0.00 177.57 177.62 1aus h LEU 314 N 0.24 0.08 -0.47 2.57 3.38 -1.44 -2.31 115.31 117.35 1aus h LEU 314 Ca 0.02 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1aus h LEU 314 Cb 0.87 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1aus h LEU 314 CO 0.07 0.42 -0.40 0.00 0.09 0.00 0.00 178.44 178.63 1aus h ALA 315 N 1.58 0.65 -0.52 1.53 0.00 -0.59 -2.23 119.26 119.69 1aus h ALA 315 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1aus h ALA 315 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1aus h ALA 315 CO 0.05 0.67 -0.17 0.87 0.00 0.00 0.00 179.25 180.67 1aus h LYS 316 N 0.67 1.03 -0.33 0.00 1.57 -1.12 -2.47 116.57 115.92 1aus h LYS 316 Ca 0.05 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1aus h LYS 316 Cb 0.97 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1aus h LYS 316 CO 0.09 1.10 0.20 0.00 -0.57 0.00 0.00 179.45 180.27 1aus h ALA 317 N 0.90 0.42 -0.77 3.86 0.00 -1.38 -2.10 119.26 120.18 1aus h ALA 317 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1aus h ALA 317 Cb 0.75 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1aus h ALA 317 CO 0.06 -0.16 0.41 1.25 0.00 0.00 0.00 179.25 180.82 1aus h LEU 318 N 0.41 0.96 -1.66 0.00 7.12 -1.32 -0.23 115.31 120.58 1aus h LEU 318 Ca 0.13 -0.08 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 1aus h LEU 318 Cb -0.01 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.87 1aus h LEU 318 CO -0.06 0.78 -0.19 -0.09 -0.13 0.00 0.00 178.44 178.75 1aus h ARG 319 N 1.08 0.00 0.00 1.25 2.43 -0.94 0.42 114.38 118.62 1aus h ARG 319 Ca 0.27 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1aus h ARG 319 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1aus h ARG 319 CO -0.04 0.19 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.24 1aus h LEU 320 N 0.00 0.00 -0.12 3.80 3.38 -0.84 -3.29 115.31 118.25 1aus h LEU 320 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1aus h LEU 320 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1aus h LEU 320 CO 0.03 0.99 0.07 -1.28 0.09 0.00 0.00 178.44 178.34 1aus h SER 321 N -1.00 0.14 0.00 -0.43 0.87 -0.99 -2.27 113.55 109.86 1aus h SER 321 Ca -0.07 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1aus h SER 321 Cb 0.85 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1aus h SER 321 CO -0.04 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.99 1aus n GLY 322 N -1.06 4.05 3.63 5.77 0.00 0.15 -4.35 105.19 113.37 1aus n GLY 322 Ca -0.05 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 1aus n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aus s GLY 323 N 0.00 0.04 -0.13 -0.02 0.00 -1.25 -4.79 107.32 101.16 1aus s GLY 323 Ca 0.00 2.74 0.09 0.00 0.00 0.00 0.00 44.72 47.55 1aus s GLY 323 CO 0.00 1.22 0.31 1.22 0.00 0.00 0.00 173.10 175.85 1aus n ASP 324 N 0.76 1.05 -4.36 1.64 8.00 0.35 -4.44 116.55 119.54 1aus n ASP 324 Ca -0.04 0.18 -0.23 0.00 0.71 0.00 0.00 54.79 55.41 1aus n ASP 324 Cb 0.58 0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.59 1aus n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1aus s HIS 325 N -2.55 1.94 -0.14 1.24 3.76 -1.03 -0.95 115.29 117.55 1aus s HIS 325 Ca -0.14 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 1aus s HIS 325 Cb 0.07 -0.96 0.06 0.00 1.11 0.00 0.00 32.58 32.86 1aus s HIS 325 CO 0.78 0.38 0.33 -1.50 -0.85 0.00 0.00 174.74 173.88 1aus s ILE 326 N -1.97 -0.13 0.22 0.60 1.10 -0.80 -1.25 121.20 118.97 1aus s ILE 326 Ca 0.17 0.14 -0.31 0.00 -0.51 0.00 0.00 60.65 60.14 1aus s ILE 326 Cb -0.06 -0.51 -0.10 0.00 0.15 0.00 0.00 42.46 41.93 1aus s ILE 326 CO 0.08 0.06 1.54 -1.00 -2.11 0.00 0.00 174.94 173.50 1aus s HIS 327 N 1.57 2.99 -0.04 3.50 3.76 -0.88 -0.58 115.29 125.60 1aus s HIS 327 Ca -0.08 0.77 0.12 0.00 -0.15 0.00 0.00 55.06 55.72 1aus s HIS 327 Cb -0.10 -3.93 0.22 0.00 1.11 0.00 0.00 32.58 29.89 1aus s HIS 327 CO -0.11 -3.25 1.10 -1.13 -0.85 0.00 0.00 174.74 170.50 1aus n SER 328 N 3.13 0.83 0.00 1.40 3.41 0.01 -4.77 113.62 117.63 1aus n SER 328 Ca 0.11 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1aus n SER 328 Cb 0.39 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1aus n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aus n GLY 329 N -0.16 -0.44 0.00 5.00 0.00 -1.25 -4.86 105.19 103.48 1aus n GLY 329 Ca 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1aus n GLY 329 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1aus n THR 330 N 0.00 0.00 0.00 2.61 5.66 -1.26 -0.75 114.28 120.54 1aus n THR 330 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1aus n THR 330 Cb 0.00 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1aus n THR 330 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1aus n VAL 331 N 0.00 0.00 0.00 1.08 0.31 -1.26 -4.93 118.33 113.53 1aus n VAL 331 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1aus n VAL 331 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1aus n VAL 331 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1aus n VAL 332 N 0.00 0.00 -1.50 2.52 0.31 -1.26 -5.00 118.33 113.40 1aus n VAL 332 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1aus n VAL 332 Cb 0.00 -1.02 -0.21 0.00 -0.91 0.00 0.00 33.84 31.71 1aus n VAL 332 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1aus n GLU 338 N 2.48 0.00 -0.09 5.55 0.00 -1.26 -4.95 120.64 122.37 1aus n GLU 338 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1aus n GLU 338 Cb 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 31.44 30.23 1aus n GLU 338 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1aus h ARG 339 N 11.28 -0.40 -0.79 5.31 2.43 -1.99 -2.36 114.38 127.84 1aus h ARG 339 Ca 0.02 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1aus h ARG 339 Cb 1.18 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 1aus h ARG 339 CO 1.56 -0.27 0.47 -0.44 -1.51 0.00 0.00 179.97 179.79 1aus h ASP 340 N -0.42 0.72 -0.36 -3.80 5.19 -1.97 -0.20 116.42 115.58 1aus h ASP 340 Ca 0.09 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1aus h ASP 340 Cb 0.61 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1aus h ASP 340 CO -0.54 0.45 0.23 0.40 -3.12 0.00 0.00 179.24 176.67 1aus h ILE 341 N 0.85 1.10 -0.10 0.35 1.08 -1.71 -1.46 117.51 117.62 1aus h ILE 341 Ca 0.35 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1aus h ILE 341 Cb 0.21 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1aus h ILE 341 CO -0.19 0.10 0.06 0.74 -0.69 0.00 0.00 178.15 178.17 1aus h THR 342 N 0.48 1.05 -0.01 -0.27 2.02 -0.89 -2.00 112.91 113.29 1aus h THR 342 Ca 0.13 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1aus h THR 342 Cb -0.04 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1aus h THR 342 CO -0.03 0.05 -0.06 -0.07 0.37 0.00 0.00 175.52 175.77 1aus h LEU 343 N 0.11 0.02 0.05 2.58 3.38 -0.90 -1.14 115.31 119.41 1aus h LEU 343 Ca 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1aus h LEU 343 Cb 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1aus h LEU 343 CO -0.01 0.09 -0.02 1.23 0.09 0.00 0.00 178.44 179.82 1aus h GLY 344 N 0.24 -0.07 2.00 0.83 0.00 -0.55 -2.37 103.07 103.15 1aus h GLY 344 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1aus h GLY 344 CO 0.01 -0.03 0.00 0.27 0.00 0.00 0.00 176.54 176.79 1aus h PHE 345 N -0.21 0.00 -0.37 5.60 -5.15 -1.05 -2.82 116.94 112.94 1aus h PHE 345 Ca -0.01 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.66 1aus h PHE 345 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.35 1aus h PHE 345 CO -0.03 0.00 -0.17 0.28 -2.00 0.00 0.00 178.31 176.39 1aus h VAL 346 N 0.00 1.28 -0.56 0.88 2.07 -0.96 -2.15 116.25 116.81 1aus h VAL 346 Ca 0.00 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1aus h VAL 346 Cb 0.65 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1aus h VAL 346 CO 0.00 0.43 0.13 0.44 0.02 0.00 0.00 177.57 178.59 1aus h ASP 347 N 0.56 0.81 0.34 0.57 3.32 -1.22 -1.15 116.42 119.63 1aus h ASP 347 Ca 0.08 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1aus h ASP 347 Cb 0.72 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1aus h ASP 347 CO 0.05 0.80 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.08 1aus h LEU 348 N 0.83 0.00 0.03 1.55 3.38 -1.29 -0.40 115.31 119.41 1aus h LEU 348 Ca 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.87 1aus h LEU 348 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1aus h LEU 348 CO -0.00 0.22 -1.54 -0.07 0.09 0.00 0.00 178.44 177.14 1aus h LEU 349 N 0.00 0.09 0.04 1.67 3.38 -0.71 -3.42 115.31 116.36 1aus h LEU 349 Ca -0.00 -0.15 -0.38 0.00 0.09 0.00 0.00 57.88 57.44 1aus h LEU 349 Cb 0.44 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1aus h LEU 349 CO 0.03 1.13 -2.24 0.54 0.09 0.00 0.00 178.44 177.98 1aus n ARG 350 N -3.20 0.67 -2.14 1.13 1.74 -0.50 -0.06 116.66 114.30 1aus n ARG 350 Ca -0.14 0.23 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 1aus n ARG 350 Cb 1.02 -1.60 0.04 0.00 -1.02 0.00 0.00 32.46 30.91 1aus n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aus s ASP 351 N -6.83 5.41 0.22 0.55 1.01 -0.17 -4.22 116.67 112.64 1aus s ASP 351 Ca -0.31 0.88 0.20 0.00 0.71 0.00 0.00 52.55 54.03 1aus s ASP 351 Cb 0.09 -1.73 0.04 0.00 1.01 0.00 0.00 42.92 42.32 1aus s ASP 351 CO 0.64 -1.27 1.14 -0.78 0.21 0.00 0.00 175.17 175.11 1aus h ASP 352 N -0.46 0.00 -3.09 0.27 3.58 -1.90 -3.45 116.42 111.37 1aus h ASP 352 Ca -0.45 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.91 1aus h ASP 352 Cb 1.26 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 42.06 1aus h ASP 352 CO 0.62 0.21 -0.26 -0.47 -2.88 0.00 0.00 179.24 176.46 1aus s TYR 353 N -3.18 -0.70 -0.08 0.28 5.04 -1.26 -0.80 117.35 116.65 1aus s TYR 353 Ca 0.01 1.45 -0.01 0.00 -2.44 0.00 0.00 57.07 56.08 1aus s TYR 353 Cb 0.08 0.33 0.03 0.00 0.35 0.00 0.00 41.96 42.75 1aus s TYR 353 CO 0.77 -0.39 -0.03 0.99 -1.34 0.00 0.00 175.55 175.55 1aus s THR 354 N 1.60 0.62 0.43 4.34 2.01 -0.14 -5.00 115.64 119.50 1aus s THR 354 Ca -0.09 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 61.65 1aus s THR 354 Cb -0.08 -0.71 -0.10 0.00 0.01 0.00 0.00 72.50 71.62 1aus s THR 354 CO -0.14 0.29 0.99 -0.70 -0.69 0.00 0.00 174.62 174.37 1aus s GLU 355 N 1.75 4.11 0.20 4.92 2.12 -1.26 -0.63 118.70 129.91 1aus s GLU 355 Ca 0.03 1.27 -0.32 0.00 0.36 0.00 0.00 54.97 56.31 1aus s GLU 355 Cb -0.13 -2.25 -0.15 0.00 0.26 0.00 0.00 34.13 31.86 1aus s GLU 355 CO -0.05 -0.15 1.20 1.17 -0.54 0.00 0.00 175.26 176.89 1aus n LYS 356 N -0.56 1.37 -3.21 4.30 4.81 -1.26 -4.79 118.16 118.82 1aus n LYS 356 Ca 0.07 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1aus n LYS 356 Cb 0.53 -2.01 -0.01 0.00 0.02 0.00 0.00 35.03 33.56 1aus n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1aus s ASP 357 N -0.00 -1.44 0.33 3.14 2.15 0.11 -4.97 116.67 115.99 1aus s ASP 357 Ca 0.70 -0.82 0.06 0.00 0.43 0.00 0.00 52.55 52.93 1aus s ASP 357 Cb -0.79 1.92 0.73 0.00 -0.30 0.00 0.00 42.92 44.48 1aus s ASP 357 CO 0.52 -0.17 1.84 0.03 -0.17 0.00 0.00 175.17 177.22 1aus h ARG 358 N 6.99 0.77 -0.01 4.34 2.47 -1.92 0.59 114.38 127.61 1aus h ARG 358 Ca 0.05 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1aus h ARG 358 Cb 1.17 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1aus h ARG 358 CO 0.10 0.51 0.07 0.66 0.56 0.00 0.00 179.97 181.87 1aus h SER 359 N 0.79 0.00 -0.27 7.04 4.64 -1.96 0.11 113.55 123.91 1aus h SER 359 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1aus h SER 359 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1aus h SER 359 CO -0.25 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.25 1aus n ARG 360 N -3.19 2.83 -1.29 4.77 1.74 0.04 -4.70 116.66 116.86 1aus n ARG 360 Ca -0.03 -2.49 -0.10 0.00 -0.77 0.00 0.00 57.85 54.46 1aus n ARG 360 Cb 0.14 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 1aus n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aus n GLY 361 N -0.19 1.15 3.34 -0.13 0.00 0.38 -4.45 105.19 105.29 1aus n GLY 361 Ca 0.17 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 1aus n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aus s ILE 362 N -2.34 5.16 -0.23 -0.61 1.01 -0.25 -4.92 121.20 119.03 1aus s ILE 362 Ca 0.00 -1.32 0.20 0.00 0.00 0.00 0.00 60.65 59.53 1aus s ILE 362 Cb 0.00 -4.31 0.21 0.00 0.01 0.00 0.00 42.46 38.37 1aus s ILE 362 CO 0.00 -0.83 1.59 1.88 0.00 0.00 0.00 174.94 177.57 1aus h TYR 363 N 8.90 0.00 -3.96 3.97 -1.99 -1.94 0.31 116.97 122.26 1aus h TYR 363 Ca -0.30 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.17 1aus h TYR 363 Cb 1.10 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.62 1aus h TYR 363 CO 0.72 0.24 -0.73 -0.06 -0.00 0.00 0.00 178.16 178.33 1aus s PHE 364 N -3.18 0.60 0.19 4.88 0.08 -1.26 -4.89 117.98 114.41 1aus s PHE 364 Ca 0.05 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.31 1aus s PHE 364 Cb 0.07 -0.37 -0.08 0.00 -0.57 0.00 0.00 43.02 42.07 1aus s PHE 364 CO 0.69 -0.10 1.14 0.99 -0.10 0.00 0.00 175.22 177.84 1aus s THR 365 N -1.34 3.70 -0.09 0.64 2.01 -1.26 -4.14 115.64 115.16 1aus s THR 365 Ca -0.10 1.48 0.02 0.00 0.31 0.00 0.00 61.69 63.40 1aus s THR 365 Cb -0.10 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1aus s THR 365 CO 0.00 0.26 -0.14 -1.58 -0.69 0.00 0.00 174.62 172.47 1aus s GLN 366 N -0.48 2.04 0.04 4.92 2.00 0.20 -4.91 119.66 123.47 1aus s GLN 366 Ca 0.50 -0.51 0.05 0.00 -2.00 0.00 0.00 55.36 53.40 1aus s GLN 366 Cb -0.31 -1.69 -0.04 0.00 0.80 0.00 0.00 33.01 31.77 1aus s GLN 366 CO 0.36 0.00 -0.09 -1.12 -0.50 0.00 0.00 175.29 173.94 1aus s SER 367 N 0.79 4.43 0.00 6.67 0.01 -1.26 -0.97 113.70 123.37 1aus s SER 367 Ca -0.11 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 56.92 1aus s SER 367 Cb -0.16 -0.94 0.01 0.00 0.21 0.00 0.00 66.02 65.15 1aus s SER 367 CO 0.02 0.25 0.47 0.79 0.41 0.00 0.00 173.24 175.18 1aus n TRP 368 N 1.29 0.00 -4.10 2.43 7.02 0.02 -4.71 117.44 119.38 1aus n TRP 368 Ca -0.15 0.00 -0.47 0.00 -1.02 0.00 0.00 57.50 55.86 1aus n TRP 368 Cb 0.52 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.43 1aus n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1aus n VAL 369 N -0.21 -2.53 -1.11 -0.99 0.24 -1.26 -1.91 118.33 110.57 1aus n VAL 369 Ca 0.02 -0.58 -0.04 0.00 -2.04 0.00 0.00 64.34 61.70 1aus n VAL 369 Cb 0.09 -2.15 -0.02 0.00 -1.47 0.00 0.00 33.84 30.29 1aus n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1aus n SER 370 N -2.11 -4.82 -4.72 -1.34 7.64 -1.26 -4.99 113.62 102.01 1aus n SER 370 Ca -0.12 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 1aus n SER 370 Cb 0.56 -2.65 -0.03 0.00 -1.01 0.00 0.00 64.21 61.08 1aus n SER 370 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1aus s THR 371 N -1.69 3.09 0.55 0.44 2.01 -0.80 -4.94 115.64 114.31 1aus s THR 371 Ca 0.00 0.82 -0.21 0.00 0.31 0.00 0.00 61.69 62.61 1aus s THR 371 Cb 0.00 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 1aus s THR 371 CO 0.00 0.08 1.15 -2.65 -0.69 0.00 0.00 174.62 172.52 1aus n PRO 372 N 3.52 1.32 -1.85 4.92 -0.02 -1.26 -4.90 135.00 136.73 1aus n PRO 372 Ca 0.10 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 1aus n PRO 372 Cb 0.41 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1aus n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1aus s GLY 373 N -1.03 1.62 -0.07 -1.23 0.00 -1.26 -4.57 107.32 100.78 1aus s GLY 373 Ca 0.72 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1aus s GLY 373 CO 0.49 0.00 -0.12 0.14 0.00 0.00 0.00 173.10 173.62 1aus s VAL 374 N -3.39 3.25 -0.27 1.40 1.01 0.92 -2.27 120.40 121.05 1aus s VAL 374 Ca 0.59 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1aus s VAL 374 Cb -0.11 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1aus s VAL 374 CO 0.51 0.58 1.11 -0.22 0.00 0.00 0.00 175.10 177.08 1aus s LEU 375 N -0.55 4.00 0.32 3.92 2.96 -0.13 -4.16 118.68 125.05 1aus s LEU 375 Ca 0.08 1.24 -0.28 0.00 -0.22 0.00 0.00 54.13 54.94 1aus s LEU 375 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 1aus s LEU 375 CO 0.02 -0.83 1.12 -2.16 -1.32 0.00 0.00 176.35 173.18 1aus s PRO 376 N 3.56 4.44 -0.23 0.98 0.04 -1.26 -1.90 135.00 140.64 1aus s PRO 376 Ca 0.47 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 1aus s PRO 376 Cb -0.15 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1aus s PRO 376 CO 0.13 0.03 -0.06 0.08 0.04 0.00 0.00 177.00 177.22 1aus s VAL 377 N -1.28 3.11 -0.06 -0.36 1.01 0.25 -1.29 120.40 121.79 1aus s VAL 377 Ca 0.49 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1aus s VAL 377 Cb -0.31 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1aus s VAL 377 CO 0.40 0.37 0.35 0.00 0.00 0.00 0.00 175.10 176.22 1aus s ALA 378 N 1.42 3.69 0.25 5.51 0.00 -0.03 -0.81 121.76 131.79 1aus s ALA 378 Ca 0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1aus s ALA 378 Cb -0.15 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1aus s ALA 378 CO -0.05 0.40 0.54 0.45 0.00 0.00 0.00 175.76 177.10 1aus s SER 379 N -0.67 -0.15 0.00 0.00 0.15 0.07 -1.39 113.70 111.71 1aus s SER 379 Ca 0.21 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1aus s SER 379 Cb -0.15 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1aus s SER 379 CO 0.10 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 173.97 1aus n GLY 380 N -0.39 -0.07 2.42 9.45 0.00 -1.26 -4.20 105.19 111.14 1aus n GLY 380 Ca -0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1aus n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aus n GLY 381 N 0.50 0.57 3.90 -0.02 0.00 -1.26 -4.98 105.19 103.90 1aus n GLY 381 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1aus n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aus s ILE 382 N -2.80 5.18 0.18 -0.61 -4.36 -1.26 -5.04 121.20 112.49 1aus s ILE 382 Ca 0.00 -0.02 0.01 0.00 -0.26 0.00 0.00 60.65 60.39 1aus s ILE 382 Cb 0.00 -3.63 -0.00 0.00 1.25 0.00 0.00 42.46 40.07 1aus s ILE 382 CO 0.00 0.03 0.21 0.00 0.24 0.00 0.00 174.94 175.41 1aus n HIS 383 N 0.04 -0.71 -0.33 1.37 1.44 -1.26 -4.06 115.22 111.71 1aus n HIS 383 Ca -0.03 -1.35 0.20 0.00 -2.01 0.00 0.00 57.72 54.54 1aus n HIS 383 Cb 0.52 0.23 0.46 0.00 0.12 0.00 0.00 29.99 31.31 1aus n HIS 383 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1aus h VAL 384 N 1.55 0.55 0.00 0.61 -1.51 -1.95 -1.40 116.25 114.09 1aus h VAL 384 Ca -0.13 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1aus h VAL 384 Cb 0.63 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1aus h VAL 384 CO 0.19 0.09 0.00 0.79 -1.23 0.00 0.00 177.57 177.40 1aus n TRP 385 N -4.71 0.27 1.03 5.19 7.02 -1.26 -1.82 117.44 123.17 1aus n TRP 385 Ca 0.25 0.11 0.12 0.00 -1.02 0.00 0.00 57.50 56.96 1aus n TRP 385 Cb 0.81 -0.67 0.17 0.00 -2.42 0.00 0.00 31.31 29.20 1aus n TRP 385 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1aus n HIS 386 N -1.75 0.00 -0.21 -5.99 8.25 -0.53 -4.51 115.22 110.49 1aus n HIS 386 Ca 0.03 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 1aus n HIS 386 Cb 0.19 -0.16 0.12 0.00 1.12 0.00 0.00 29.99 31.25 1aus n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1aus h MET 387 N 0.27 0.20 -0.20 -0.41 -1.53 -1.44 0.70 114.93 112.54 1aus h MET 387 Ca 0.00 -0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.17 1aus h MET 387 Cb 0.51 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.50 1aus h MET 387 CO 0.00 0.14 -0.20 -1.35 0.14 0.00 0.00 176.91 175.64 1aus h PRO 388 N 0.21 0.34 -0.08 0.39 0.11 -1.81 -2.00 132.00 129.16 1aus h PRO 388 Ca 0.33 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 66.27 1aus h PRO 388 Cb 0.52 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1aus h PRO 388 CO -0.46 0.53 -0.22 0.00 -0.21 0.00 0.00 178.00 177.64 1aus h ALA 389 N 1.48 0.13 -0.57 -0.75 0.00 -1.64 -2.26 119.26 115.66 1aus h ALA 389 Ca 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1aus h ALA 389 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1aus h ALA 389 CO 0.04 0.10 0.30 -0.07 0.00 0.00 0.00 179.25 179.62 1aus h LEU 390 N -0.19 0.72 -0.39 0.00 3.38 -0.83 0.49 115.31 118.49 1aus h LEU 390 Ca -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1aus h LEU 390 Cb 0.84 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1aus h LEU 390 CO 0.05 0.62 0.19 0.74 0.09 0.00 0.00 178.44 180.12 1aus h THR 391 N 0.76 1.17 -0.31 0.22 2.02 -1.43 0.10 112.91 115.45 1aus h THR 391 Ca 0.20 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1aus h THR 391 Cb 0.07 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1aus h THR 391 CO -0.03 0.19 0.00 -0.08 0.37 0.00 0.00 175.52 175.97 1aus h GLU 392 N 0.49 0.54 -0.16 6.66 4.22 -1.25 0.52 114.58 125.61 1aus h GLU 392 Ca 0.13 -0.17 -0.14 0.00 0.08 0.00 0.00 59.36 59.26 1aus h GLU 392 Cb 0.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1aus h GLU 392 CO -0.02 0.68 -0.44 0.82 -2.18 0.00 0.00 179.01 177.87 1aus h ILE 393 N 0.34 1.34 0.00 2.32 2.04 -0.77 -3.35 117.51 119.43 1aus h ILE 393 Ca 0.09 -1.71 -0.16 0.00 1.00 0.00 0.00 64.86 64.08 1aus h ILE 393 Cb 0.43 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 1aus h ILE 393 CO 0.01 0.52 -1.74 0.49 0.00 0.00 0.00 178.15 177.44 1aus n PHE 394 N -4.24 0.53 -4.14 1.37 3.72 0.01 -5.05 117.46 109.66 1aus n PHE 394 Ca -0.07 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1aus n PHE 394 Cb 0.56 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 1aus n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aus n GLY 395 N 1.43 -1.85 0.32 1.37 0.00 0.18 -4.31 105.19 102.33 1aus n GLY 395 Ca -0.13 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 1aus n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aus h ASP 396 N 0.00 1.02 -0.80 1.61 3.32 -1.90 -3.37 116.42 116.30 1aus h ASP 396 Ca 0.00 -0.24 -0.70 0.00 0.02 0.00 0.00 57.03 56.12 1aus h ASP 396 Cb 0.00 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.20 1aus h ASP 396 CO 0.00 1.01 2.36 0.47 -1.72 0.00 0.00 179.24 181.36 1aus n ASP 397 N -4.22 4.68 -3.57 6.45 8.00 -1.26 -3.04 116.55 123.60 1aus n ASP 397 Ca 0.04 -2.92 -0.10 0.00 0.71 0.00 0.00 54.79 52.53 1aus n ASP 397 Cb 0.28 -1.69 -0.02 0.00 -0.02 0.00 0.00 41.12 39.67 1aus n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1aus s SER 398 N 3.60 -0.46 -0.13 -2.24 1.04 -1.26 -4.30 113.70 109.94 1aus s SER 398 Ca 0.50 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1aus s SER 398 Cb 0.06 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.83 1aus s SER 398 CO 0.02 -1.09 -0.21 -0.69 0.98 0.00 0.00 173.24 172.24 1aus s VAL 399 N -3.80 2.00 -0.28 5.02 1.01 -0.41 -1.02 120.40 122.91 1aus s VAL 399 Ca 0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1aus s VAL 399 Cb -0.03 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1aus s VAL 399 CO -0.06 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 174.95 1aus s LEU 400 N 0.80 3.88 -0.24 3.92 1.43 0.39 -0.85 118.68 128.01 1aus s LEU 400 Ca -0.08 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1aus s LEU 400 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1aus s LEU 400 CO -0.01 -0.11 0.12 -1.58 0.23 0.00 0.00 176.35 175.00 1aus s GLN 401 N 1.65 3.88 -0.29 1.70 2.00 -0.48 -0.82 119.66 127.30 1aus s GLN 401 Ca 0.06 -0.37 0.03 0.00 -2.00 0.00 0.00 55.36 53.08 1aus s GLN 401 Cb -0.16 -3.44 0.08 0.00 0.80 0.00 0.00 33.01 30.28 1aus s GLN 401 CO 0.07 -0.06 -0.04 -0.06 -0.50 0.00 0.00 175.29 174.71 1aus s PHE 402 N 1.33 3.26 0.00 1.67 0.08 0.63 -4.31 117.98 120.64 1aus s PHE 402 Ca 0.06 -2.47 0.00 0.00 0.12 0.00 0.00 56.93 54.64 1aus s PHE 402 Cb -0.15 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1aus s PHE 402 CO 0.05 -0.89 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 1aus n GLY 403 N 4.42 1.20 0.32 4.36 0.00 -1.26 -3.38 105.19 110.84 1aus n GLY 403 Ca -0.07 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.15 1aus n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aus h GLY 404 N 0.00 0.00 1.97 -0.02 0.00 -1.90 -0.53 103.07 102.60 1aus h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aus h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1aus n GLY 405 N -0.91 -0.87 1.15 4.60 0.00 -1.26 -1.00 105.19 106.91 1aus n GLY 405 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1aus n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aus n THR 406 N -1.49 0.41 0.34 2.61 -1.04 -0.46 -4.70 114.28 109.96 1aus n THR 406 Ca 0.03 0.14 0.05 0.00 -2.04 0.00 0.00 64.05 62.22 1aus n THR 406 Cb 0.13 -1.39 0.21 0.00 -1.82 0.00 0.00 70.33 67.45 1aus n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1aus n LEU 407 N -3.15 0.00 -0.97 -4.42 4.32 -0.33 -1.99 117.00 110.46 1aus n LEU 407 Ca 0.00 0.48 0.12 0.00 -0.02 0.00 0.00 56.01 56.59 1aus n LEU 407 Cb 0.27 -0.48 0.11 0.00 -1.62 0.00 0.00 43.42 41.70 1aus n LEU 407 CO 0.00 -0.32 0.63 0.61 -1.22 0.00 0.00 177.39 177.09 1aus n GLY 408 N -0.52 1.05 3.77 -0.72 0.00 -0.17 -4.87 105.19 103.74 1aus n GLY 408 Ca 0.03 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 1aus n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1aus s HIS 409 N -1.95 2.91 0.46 1.61 5.04 -0.84 -4.91 115.29 117.61 1aus s HIS 409 Ca 0.29 1.38 0.12 0.00 -1.54 0.00 0.00 55.06 55.31 1aus s HIS 409 Cb 0.20 -3.73 1.05 0.00 0.04 0.00 0.00 32.58 30.15 1aus s HIS 409 CO 0.30 -2.10 2.08 -1.00 -2.34 0.00 0.00 174.74 171.68 1aus h PRO 410 N 3.10 0.22 -0.07 2.88 0.13 -1.91 -2.45 132.00 133.90 1aus h PRO 410 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1aus h PRO 410 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1aus h PRO 410 CO 0.64 0.18 0.00 0.91 -0.23 0.00 0.00 178.00 179.50 1aus n TRP 411 N -4.47 0.08 0.00 1.56 8.01 -1.26 -5.06 117.44 116.30 1aus n TRP 411 Ca -0.01 -0.04 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 1aus n TRP 411 Cb 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 1aus n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1aus n GLY 412 N 1.17 0.67 0.09 6.99 0.00 -0.92 -4.68 105.19 108.50 1aus n GLY 412 Ca 0.18 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 1aus n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1aus h ASN 413 N 0.00 -0.10 -0.11 1.61 4.21 -1.85 -1.35 115.58 117.99 1aus h ASN 413 Ca 0.00 -0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.50 1aus h ASN 413 Cb 0.00 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 1aus h ASN 413 CO 0.00 -0.03 -0.08 0.00 -1.29 0.00 0.00 177.43 176.03 1aus h ALA 414 N 0.74 0.01 -0.23 -0.83 0.00 -1.78 0.19 119.26 117.35 1aus h ALA 414 Ca -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1aus h ALA 414 Cb 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1aus h ALA 414 CO 0.02 -0.54 -0.10 -1.35 0.00 0.00 0.00 179.25 177.28 1aus h PRO 415 N -0.09 0.37 -0.74 0.00 0.11 -1.83 0.40 132.00 130.23 1aus h PRO 415 Ca 0.07 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1aus h PRO 415 Cb 0.20 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1aus h PRO 415 CO -0.17 0.49 0.25 0.78 -0.21 0.00 0.00 178.00 179.13 1aus h GLY 416 N 0.83 1.22 0.87 -0.55 0.00 -0.37 -0.80 103.07 104.26 1aus h GLY 416 Ca 0.07 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 1aus h GLY 416 CO 0.02 0.66 -0.08 0.00 0.00 0.00 0.00 176.54 177.14 1aus h ALA 417 N 1.17 0.37 -0.72 3.60 0.00 0.05 -2.53 119.26 121.20 1aus h ALA 417 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1aus h ALA 417 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1aus h ALA 417 CO -0.01 0.19 0.41 0.28 0.00 0.00 0.00 179.25 180.13 1aus h VAL 418 N 0.28 1.21 -0.66 0.00 2.07 -0.53 0.06 116.25 118.67 1aus h VAL 418 Ca 0.07 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1aus h VAL 418 Cb 0.56 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1aus h VAL 418 CO 0.03 0.23 0.44 0.00 0.02 0.00 0.00 177.57 178.29 1aus h ALA 419 N 1.21 0.84 -0.28 1.67 0.00 -1.04 0.16 119.26 121.82 1aus h ALA 419 Ca 0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1aus h ALA 419 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1aus h ALA 419 CO -0.04 0.26 -0.16 -0.91 0.00 0.00 0.00 179.25 178.40 1aus h ASN 420 N 0.89 0.63 -0.67 0.00 -0.26 -1.09 -1.47 115.58 113.61 1aus h ASN 420 Ca 0.25 -0.42 -0.06 0.00 -0.56 0.00 0.00 56.30 55.50 1aus h ASN 420 Cb -0.09 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1aus h ASN 420 CO -0.06 0.91 0.17 -0.09 -1.06 0.00 0.00 177.43 177.31 1aus h ARG 421 N 0.35 1.07 -0.23 0.81 9.65 -0.76 -1.63 114.38 123.64 1aus h ARG 421 Ca 0.06 -0.25 -0.05 0.00 -1.10 0.00 0.00 59.98 58.64 1aus h ARG 421 Cb 0.68 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1aus h ARG 421 CO 0.05 0.95 -0.04 0.28 2.80 0.00 0.00 179.97 184.00 1aus h VAL 422 N 1.00 1.28 -0.80 0.20 2.07 -0.67 -1.56 116.25 117.77 1aus h VAL 422 Ca 0.21 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1aus h VAL 422 Cb 0.35 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1aus h VAL 422 CO 0.00 0.31 0.52 0.00 0.02 0.00 0.00 177.57 178.43 1aus h ALA 423 N 0.76 1.02 -0.10 1.67 0.00 -1.18 -0.07 119.26 121.36 1aus h ALA 423 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1aus h ALA 423 Cb 0.49 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1aus h ALA 423 CO 0.02 0.39 0.04 1.25 0.00 0.00 0.00 179.25 180.95 1aus h LEU 424 N 1.05 0.14 -1.28 0.00 5.85 -1.20 -2.03 115.31 117.84 1aus h LEU 424 Ca 0.30 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1aus h LEU 424 Cb -0.08 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1aus h LEU 424 CO -0.08 0.26 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.91 1aus h GLU 425 N 0.01 0.44 -0.64 1.25 5.08 -1.03 -1.09 114.58 118.60 1aus h GLU 425 Ca 0.03 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1aus h GLU 425 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1aus h GLU 425 CO -0.00 0.50 0.08 0.00 -1.00 0.00 0.00 179.01 178.59 1aus h ALA 426 N 1.54 0.86 -0.50 3.43 0.00 -0.85 0.61 119.26 124.34 1aus h ALA 426 Ca 0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1aus h ALA 426 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1aus h ALA 426 CO 0.01 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.84 1aus h VAL 428 N 0.79 1.26 -0.15 0.00 2.07 -0.92 -1.27 116.25 118.03 1aus h VAL 428 Ca 0.13 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1aus h VAL 428 Cb 0.61 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1aus h VAL 428 CO 0.04 0.28 -0.01 -0.61 0.02 0.00 0.00 177.57 177.29 1aus h GLN 429 N 0.14 0.04 -0.48 1.57 4.15 -0.81 -0.65 115.11 119.08 1aus h GLN 429 Ca 0.06 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1aus h GLN 429 Cb 0.42 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1aus h GLN 429 CO 0.01 0.03 0.25 0.00 -1.93 0.00 0.00 178.83 177.19 1aus h ALA 430 N 1.13 0.61 -0.32 3.38 0.00 -1.29 -0.33 119.26 122.44 1aus h ALA 430 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aus h ALA 430 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1aus h ALA 430 CO -0.12 -0.09 0.18 -0.09 0.00 0.00 0.00 179.25 179.13 1aus h ARG 431 N 0.50 0.44 -0.19 0.00 2.43 -0.96 -0.36 114.38 116.24 1aus h ARG 431 Ca 0.21 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1aus h ARG 431 Cb 0.09 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1aus h ARG 431 CO -0.13 0.36 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.74 1aus h ASN 432 N 0.40 0.26 0.47 -3.80 -0.26 -0.76 0.87 115.58 112.77 1aus h ASN 432 Ca 0.11 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1aus h ASN 432 Cb 0.04 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1aus h ASN 432 CO -0.02 0.34 0.00 -0.62 -1.06 0.00 0.00 177.43 176.07 1aus n GLU 433 N -4.34 0.35 -0.04 0.81 1.02 -0.17 -4.89 120.64 113.39 1aus n GLU 433 Ca -0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1aus n GLU 433 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1aus n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aus n GLY 434 N 0.84 0.96 3.82 0.62 0.00 0.30 -5.07 105.19 106.66 1aus n GLY 434 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1aus n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aus s ARG 435 N -0.96 3.84 -0.44 1.61 0.52 -0.20 -5.00 118.95 118.33 1aus s ARG 435 Ca 0.00 1.09 -0.21 0.00 -0.52 0.00 0.00 55.73 56.09 1aus s ARG 435 Cb 0.00 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 33.38 1aus s ARG 435 CO 0.00 -0.36 0.66 0.34 0.02 0.00 0.00 175.30 175.95 1aus s ASP 436 N -2.72 6.33 0.40 0.23 2.15 -1.26 -4.43 116.67 117.36 1aus s ASP 436 Ca 0.61 -0.33 0.10 0.00 0.43 0.00 0.00 52.55 53.37 1aus s ASP 436 Cb -0.12 -2.33 0.82 0.00 -0.30 0.00 0.00 42.92 41.00 1aus s ASP 436 CO 0.28 -0.79 1.94 -0.07 -0.17 0.00 0.00 175.17 176.36 1aus h LEU 437 N 9.74 0.23 -0.09 -1.34 3.38 -1.93 0.38 115.31 125.67 1aus h LEU 437 Ca -0.25 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1aus h LEU 437 Cb 1.09 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1aus h LEU 437 CO 0.90 0.36 0.04 0.00 0.09 0.00 0.00 178.44 179.83 1aus h ALA 438 N 1.68 0.12 0.03 1.53 0.00 -1.91 -1.28 119.26 119.43 1aus h ALA 438 Ca 0.05 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1aus h ALA 438 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1aus h ALA 438 CO 0.02 -0.32 -1.72 0.00 0.00 0.00 0.00 179.25 177.23 1aus h ARG 439 N 0.02 0.07 -0.17 0.00 3.08 -1.91 -3.40 114.38 112.09 1aus h ARG 439 Ca 0.03 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1aus h ARG 439 Cb 0.12 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1aus h ARG 439 CO -0.00 0.70 0.00 0.39 -1.07 0.00 0.00 179.97 179.99 1aus n GLU 440 N -3.18 1.97 -0.32 0.04 1.02 0.13 -4.77 120.64 115.54 1aus n GLU 440 Ca -0.19 -1.86 -0.05 0.00 -0.02 0.00 0.00 57.16 55.04 1aus n GLU 440 Cb 1.05 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 1aus n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1aus h GLY 441 N 3.77 -0.18 1.11 0.62 0.00 -1.37 -0.09 103.07 106.93 1aus h GLY 441 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.91 1aus h GLY 441 CO 0.00 -0.16 0.53 3.43 0.00 0.00 0.00 176.54 180.34 1aus h ASN 442 N -0.08 0.86 -0.42 0.19 2.35 -1.86 -1.76 115.58 114.86 1aus h ASN 442 Ca 0.27 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 1aus h ASN 442 Cb 0.56 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1aus h ASN 442 CO -0.86 0.60 -0.19 0.74 -1.65 0.00 0.00 177.43 176.06 1aus h THR 443 N 1.00 1.28 -0.81 2.81 2.02 -1.52 0.10 112.91 117.79 1aus h THR 443 Ca 0.32 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1aus h THR 443 Cb 0.02 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1aus h THR 443 CO -0.09 0.45 0.44 0.40 0.37 0.00 0.00 175.52 177.09 1aus h ILE 444 N 0.70 1.24 0.04 3.11 2.04 -0.45 0.84 117.51 125.04 1aus h ILE 444 Ca 0.10 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1aus h ILE 444 Cb 0.75 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1aus h ILE 444 CO 0.06 0.27 -0.02 0.40 0.00 0.00 0.00 178.15 178.86 1aus h ILE 445 N 1.12 1.18 -0.78 -0.67 1.08 -1.06 -2.65 117.51 115.73 1aus h ILE 445 Ca 0.28 -0.71 0.11 0.00 -0.39 0.00 0.00 64.86 64.15 1aus h ILE 445 Cb 0.04 1.65 -0.08 0.00 -3.07 0.00 0.00 36.82 35.36 1aus h ILE 445 CO -0.05 0.18 0.41 0.03 -0.69 0.00 0.00 178.15 178.03 1aus h ARG 446 N -0.37 0.65 -0.80 2.37 3.08 -0.63 -0.96 114.38 117.73 1aus h ARG 446 Ca -0.01 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1aus h ARG 446 Cb 0.34 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1aus h ARG 446 CO 0.01 0.43 0.52 0.93 -1.07 0.00 0.00 179.97 180.79 1aus h GLU 447 N 0.67 0.93 0.00 0.04 5.08 -0.68 -2.27 114.58 118.35 1aus h GLU 447 Ca 0.39 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1aus h GLU 447 Cb 0.44 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1aus h GLU 447 CO -0.29 0.61 -0.33 0.00 -1.00 0.00 0.00 179.01 178.00 1aus h ALA 448 N 1.54 0.91 0.00 3.43 0.00 -0.83 -2.96 119.26 121.35 1aus h ALA 448 Ca 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1aus h ALA 448 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1aus h ALA 448 CO -0.10 0.42 -0.03 1.79 0.00 0.00 0.00 179.25 181.33 1aus h THR 449 N 0.00 0.11 0.00 0.00 1.35 -0.91 -0.79 112.91 112.67 1aus h THR 449 Ca -0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1aus h THR 449 Cb 0.99 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1aus h THR 449 CO 0.04 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.45 1aus h LYS 450 N 0.00 0.00 0.00 4.72 1.79 -1.54 -3.22 116.57 118.32 1aus h LYS 450 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1aus h LYS 450 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1aus h LYS 450 CO 0.00 0.00 0.00 -2.67 -1.08 0.00 0.00 179.45 175.70 1aus n TRP 451 N -2.92 0.00 -4.01 -1.35 4.27 -0.68 -4.95 117.44 107.80 1aus n TRP 451 Ca 0.01 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.30 1aus n TRP 451 Cb 0.29 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.09 1aus n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1aus s SER 452 N -0.15 4.75 0.46 -0.67 0.15 -0.39 -4.96 113.70 112.88 1aus s SER 452 Ca 0.00 -1.96 0.14 0.00 0.70 0.00 0.00 55.95 54.83 1aus s SER 452 Cb 0.00 -1.63 1.05 0.00 -1.71 0.00 0.00 66.02 63.73 1aus s SER 452 CO 0.00 -0.35 2.03 -0.65 1.20 0.00 0.00 173.24 175.47 1aus h PRO 453 N 7.69 0.03 -0.31 5.44 0.11 -1.88 -0.45 132.00 142.62 1aus h PRO 453 Ca -0.08 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1aus h PRO 453 Cb 1.03 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1aus h PRO 453 CO 0.52 0.15 -0.04 0.93 -0.21 0.00 0.00 178.00 179.35 1aus h GLU 454 N 0.03 0.58 -0.20 1.05 3.07 -1.93 0.10 114.58 117.28 1aus h GLU 454 Ca 0.01 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.59 1aus h GLU 454 Cb 0.24 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1aus h GLU 454 CO 0.02 0.75 -0.14 1.25 -1.40 0.00 0.00 179.01 179.49 1aus h LEU 455 N 0.36 0.47 -0.73 1.33 5.85 -1.78 -1.78 115.31 119.03 1aus h LEU 455 Ca 0.08 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1aus h LEU 455 Cb 0.51 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1aus h LEU 455 CO 0.02 0.81 0.34 0.00 -0.34 0.00 0.00 178.44 179.27 1aus h ALA 456 N 0.67 1.02 -0.70 1.25 0.00 -1.04 0.13 119.26 120.60 1aus h ALA 456 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1aus h ALA 456 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1aus h ALA 456 CO 0.04 -0.11 0.35 0.00 0.00 0.00 0.00 179.25 179.53 1aus h ALA 457 N 1.48 0.89 -0.25 0.00 0.00 -0.66 -2.47 119.26 118.25 1aus h ALA 457 Ca 0.38 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1aus h ALA 457 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1aus h ALA 457 CO -0.32 0.44 0.01 0.00 0.00 0.00 0.00 179.25 179.38 1aus h ALA 458 N 1.17 0.34 -0.74 0.00 0.00 -0.21 -2.98 119.26 116.84 1aus h ALA 458 Ca 0.24 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1aus h ALA 458 Cb 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1aus h ALA 458 CO -0.03 0.06 0.49 0.00 0.00 0.00 0.00 179.25 179.76 1aus h GLU 460 N 0.53 0.32 0.00 0.00 4.39 -1.29 -3.01 114.58 115.53 1aus h GLU 460 Ca 0.35 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.74 1aus h GLU 460 Cb 0.63 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1aus h GLU 460 CO -0.12 0.56 -1.00 0.28 -1.16 0.00 0.00 179.01 177.57 1aus h VAL 461 N 0.29 1.48 0.00 3.13 2.07 -1.08 -3.46 116.25 118.69 1aus h VAL 461 Ca 0.05 -3.15 0.00 0.00 0.82 0.00 0.00 66.70 64.42 1aus h VAL 461 Cb 0.60 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1aus h VAL 461 CO 0.04 0.85 0.00 0.79 0.02 0.00 0.00 177.57 179.27 1aus n TRP 462 N -3.29 0.00 0.00 1.57 8.01 -0.73 -5.14 117.44 117.85 1aus n TRP 462 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1aus n TRP 462 Cb 0.92 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.22 1aus n TRP 462 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85