#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uej n PRO 20 N 0.00 2.03 -3.25 5.31 -0.02 -1.26 -4.93 135.00 132.87 1uej n PRO 20 Ca 0.00 0.71 -0.45 0.00 -2.02 0.00 0.00 63.50 61.74 1uej n PRO 20 Cb 0.00 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.15 1uej n PRO 20 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1uej s PHE 21 N -0.96 3.15 -0.05 6.00 5.36 -0.18 -4.94 117.98 126.36 1uej s PHE 21 Ca 0.57 -1.07 -0.27 0.00 -0.96 0.00 0.00 56.93 55.21 1uej s PHE 21 Cb -0.59 -3.75 -0.03 0.00 -0.34 0.00 0.00 43.02 38.31 1uej s PHE 21 CO 0.60 -1.07 0.85 -0.51 -1.46 0.00 0.00 175.22 173.63 1uej s LEU 22 N 2.03 4.32 -0.16 6.12 1.02 -1.26 -1.63 118.68 129.12 1uej s LEU 22 Ca 0.07 1.41 0.01 0.00 0.02 0.00 0.00 54.13 55.64 1uej s LEU 22 Cb -0.26 -3.33 0.01 0.00 0.02 0.00 0.00 46.19 42.62 1uej s LEU 22 CO 0.05 -0.23 -0.18 -0.63 0.02 0.00 0.00 176.35 175.38 1uej s ILE 23 N 1.10 2.32 -0.06 -0.59 1.01 0.51 -1.23 121.20 124.25 1uej s ILE 23 Ca 0.44 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 1uej s ILE 23 Cb -0.19 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1uej s ILE 23 CO 0.22 0.53 0.44 -0.83 0.00 0.00 0.00 174.94 175.29 1uej s GLY 24 N 0.98 2.43 -0.09 6.18 0.00 0.53 -0.77 107.32 116.58 1uej s GLY 24 Ca -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1uej s GLY 24 CO -0.04 0.47 -0.10 0.14 0.00 0.00 0.00 173.10 173.57 1uej s VAL 25 N -0.18 1.05 0.31 1.40 1.01 0.11 -0.27 120.40 123.82 1uej s VAL 25 Ca 0.24 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1uej s VAL 25 Cb -0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1uej s VAL 25 CO 0.11 0.35 0.17 -0.55 0.00 0.00 0.00 175.10 175.18 1uej s SER 26 N 1.16 1.54 0.00 3.32 0.15 0.25 -1.20 113.70 118.92 1uej s SER 26 Ca -0.05 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.03 1uej s SER 26 Cb -0.14 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1uej s SER 26 CO -0.02 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.13 1uej n GLY 27 N -0.59 1.63 3.68 9.45 0.00 -1.24 0.03 105.19 118.16 1uej n GLY 27 Ca 0.01 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 1uej n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uej s GLY 28 N 0.00 1.58 0.29 -0.02 0.00 -1.26 -4.18 107.32 103.72 1uej s GLY 28 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 1uej s GLY 28 CO 0.00 0.09 1.58 -1.08 0.00 0.00 0.00 173.10 173.68 1uej s THR 29 N -3.08 2.13 -1.51 0.90 -1.32 -1.26 -2.14 115.64 109.36 1uej s THR 29 Ca 0.67 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 61.26 1uej s THR 29 Cb -0.15 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.77 1uej s THR 29 CO 0.56 0.02 0.00 0.00 -2.21 0.00 0.00 174.62 172.99 1uej n ALA 30 N 2.13 -0.43 1.09 11.08 0.00 -1.26 -4.73 120.51 128.39 1uej n ALA 30 Ca 0.08 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1uej n ALA 30 Cb 0.38 -1.82 0.55 0.00 0.00 0.00 0.00 19.45 18.55 1uej n ALA 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uej n SER 31 N -1.06 0.16 0.00 0.00 3.41 -0.91 -4.54 113.62 110.68 1uej n SER 31 Ca -0.19 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1uej n SER 31 Cb 0.62 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1uej n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uej n GLY 32 N 1.45 0.95 0.16 5.00 0.00 -1.26 -4.56 105.19 106.93 1uej n GLY 32 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 1uej n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uej h LYS 33 N 0.00 0.30 -0.21 1.61 1.57 -1.90 0.73 116.57 118.66 1uej h LYS 33 Ca 0.00 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1uej h LYS 33 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1uej h LYS 33 CO 0.00 0.20 -0.53 1.03 -0.57 0.00 0.00 179.45 179.57 1uej h SER 34 N 0.30 0.67 -0.47 0.86 0.87 -1.97 -2.29 113.55 111.52 1uej h SER 34 Ca 0.17 -0.35 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 1uej h SER 34 Cb 0.13 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1uej h SER 34 CO -0.16 1.07 0.11 0.28 -0.53 0.00 0.00 176.83 177.60 1uej h SER 35 N 0.47 0.71 -0.93 6.23 0.02 -1.92 0.05 113.55 118.18 1uej h SER 35 Ca 0.01 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1uej h SER 35 Cb 1.08 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.37 1uej h SER 35 CO 0.10 0.76 0.60 0.58 -1.14 0.00 0.00 176.83 177.74 1uej h VAL 36 N 0.63 1.13 -0.39 2.27 2.07 -0.75 0.72 116.25 121.93 1uej h VAL 36 Ca 0.15 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1uej h VAL 36 Cb 0.33 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1uej h VAL 36 CO 0.00 0.21 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 1uej h ALA 38 N 0.87 1.14 -0.67 0.00 0.00 -0.15 -0.70 119.26 119.75 1uej h ALA 38 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1uej h ALA 38 Cb 0.50 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1uej h ALA 38 CO 0.02 0.30 0.17 -0.22 0.00 0.00 0.00 179.25 179.52 1uej h LYS 39 N 0.99 1.06 -0.48 0.00 1.63 -0.54 0.50 116.57 119.73 1uej h LYS 39 Ca 0.36 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1uej h LYS 39 Cb 0.11 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 1uej h LYS 39 CO -0.15 0.94 0.06 0.82 -3.45 0.00 0.00 179.45 177.66 1uej h ILE 40 N 1.01 1.25 -0.31 2.00 2.04 -0.51 -0.72 117.51 122.27 1uej h ILE 40 Ca 0.21 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1uej h ILE 40 Cb 0.35 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1uej h ILE 40 CO 0.00 0.34 0.19 0.58 0.00 0.00 0.00 178.15 179.26 1uej h VAL 41 N 0.68 1.11 -0.42 1.67 2.07 -0.80 -1.22 116.25 119.34 1uej h VAL 41 Ca 0.14 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1uej h VAL 41 Cb 0.42 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1uej h VAL 41 CO 0.01 0.11 0.03 -0.61 0.02 0.00 0.00 177.57 177.13 1uej h GLN 42 N 0.40 0.66 0.00 1.57 4.15 -0.74 -2.73 115.11 118.41 1uej h GLN 42 Ca 0.11 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1uej h GLN 42 Cb 0.01 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1uej h GLN 42 CO -0.02 0.66 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.35 1uej h LEU 43 N 0.63 0.00 -0.78 -2.39 3.38 -0.88 -2.83 115.31 112.45 1uej h LEU 43 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1uej h LEU 43 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1uej h LEU 43 CO 0.01 0.05 -0.29 -0.07 0.09 0.00 0.00 178.44 178.22 1uej h LEU 44 N 0.00 0.00 -0.84 1.67 3.38 -0.93 -2.93 115.31 115.66 1uej h LEU 44 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1uej h LEU 44 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1uej h LEU 44 CO 0.01 0.29 0.55 1.23 0.09 0.00 0.00 178.44 180.61 1uej h GLY 45 N 2.50 1.19 -4.77 0.83 0.00 -1.27 -3.47 103.07 98.09 1uej h GLY 45 Ca -0.00 -0.45 -0.52 0.00 0.00 0.00 0.00 47.33 46.36 1uej h GLY 45 CO 0.04 0.44 1.77 -1.06 0.00 0.00 0.00 176.54 177.74 1uej n GLN 46 N -4.49 3.19 -4.55 4.80 6.02 -1.11 -5.09 117.38 116.16 1uej n GLN 46 Ca 0.09 -2.13 -0.25 0.00 -0.01 0.00 0.00 57.00 54.69 1uej n GLN 46 Cb 0.02 -2.43 -0.11 0.00 1.02 0.00 0.00 30.24 28.75 1uej n GLN 46 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1uej s GLN 53 N 0.52 1.82 -0.05 -1.09 -2.07 -1.26 -5.13 119.66 112.39 1uej s GLN 53 Ca 0.64 -2.01 0.01 0.00 -1.82 0.00 0.00 55.36 52.19 1uej s GLN 53 Cb 0.25 -1.37 0.02 0.00 -1.09 0.00 0.00 33.01 30.82 1uej s GLN 53 CO -0.08 -0.06 -0.06 0.15 -1.32 0.00 0.00 175.29 173.91 1uej s LYS 54 N -3.76 1.06 -0.22 9.60 1.02 -1.26 -5.12 119.74 121.07 1uej s LYS 54 Ca 0.35 -0.18 -0.28 0.00 0.02 0.00 0.00 55.97 55.88 1uej s LYS 54 Cb 0.08 -1.00 0.00 0.00 -0.52 0.00 0.00 37.83 36.40 1uej s LYS 54 CO 0.17 -0.06 0.98 -0.65 -0.92 0.00 0.00 175.35 174.86 1uej s GLN 55 N 0.88 4.26 0.04 1.68 -1.52 -1.26 -4.97 119.66 118.77 1uej s GLN 55 Ca -0.12 1.25 0.07 0.00 -1.95 0.00 0.00 55.36 54.61 1uej s GLN 55 Cb -0.15 -3.63 -0.02 0.00 -0.22 0.00 0.00 33.01 28.99 1uej s GLN 55 CO 0.01 -0.56 -0.20 0.08 -0.25 0.00 0.00 175.29 174.37 1uej s VAL 56 N 2.96 1.57 0.02 1.09 1.01 -1.26 -0.35 120.40 125.44 1uej s VAL 56 Ca 0.42 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1uej s VAL 56 Cb -0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1uej s VAL 56 CO 0.08 0.17 -0.08 -0.69 0.00 0.00 0.00 175.10 174.58 1uej s VAL 57 N -0.80 0.63 -0.21 2.92 1.01 -0.80 -5.01 120.40 118.13 1uej s VAL 57 Ca 0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1uej s VAL 57 Cb -0.09 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1uej s VAL 57 CO 0.02 -0.10 -0.10 -0.63 0.00 0.00 0.00 175.10 174.28 1uej s ILE 58 N -0.79 2.76 0.01 2.22 1.01 -1.26 -1.15 121.20 124.00 1uej s ILE 58 Ca -0.03 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1uej s ILE 58 Cb -0.07 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1uej s ILE 58 CO 0.00 0.40 -0.01 -0.76 0.00 0.00 0.00 174.94 174.58 1uej s LEU 59 N 1.37 3.47 -0.09 2.97 1.43 0.15 -4.98 118.68 123.01 1uej s LEU 59 Ca 0.04 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1uej s LEU 59 Cb -0.14 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1uej s LEU 59 CO -0.07 0.27 -0.13 -0.55 0.23 0.00 0.00 176.35 176.10 1uej s SER 60 N -1.62 4.10 0.46 2.29 0.15 -1.26 -1.08 113.70 116.74 1uej s SER 60 Ca 0.20 -0.23 0.21 0.00 0.70 0.00 0.00 55.95 56.83 1uej s SER 60 Cb -0.11 -1.20 1.11 0.00 -1.71 0.00 0.00 66.02 64.10 1uej s SER 60 CO 0.11 0.27 1.95 -0.61 1.20 0.00 0.00 173.24 176.16 1uej h GLN 61 N 5.91 0.00 0.00 5.44 4.15 -1.10 -2.00 115.11 127.51 1uej h GLN 61 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1uej h GLN 61 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1uej h GLN 61 CO 0.53 0.22 0.03 -0.44 -1.93 0.00 0.00 178.83 177.24 1uej h ASP 62 N 0.00 0.00 0.90 -0.69 3.32 -1.95 0.49 116.42 118.49 1uej h ASP 62 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1uej h ASP 62 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1uej h ASP 62 CO 0.03 0.00 -0.04 0.28 -1.72 0.00 0.00 179.24 177.79 1uej h SER 63 N 0.00 0.00 -0.73 6.45 0.02 -1.67 -3.18 113.55 114.43 1uej h SER 63 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 1uej h SER 63 Cb 0.06 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.38 1uej h SER 63 CO 0.00 0.04 0.35 0.49 -1.14 0.00 0.00 176.83 176.57 1uej n PHE 64 N -3.16 2.26 -1.97 3.45 3.01 0.16 -4.39 117.46 116.82 1uej n PHE 64 Ca 0.00 -1.73 -0.41 0.00 1.01 0.00 0.00 57.45 56.32 1uej n PHE 64 Cb 0.30 -0.76 -0.02 0.00 -0.01 0.00 0.00 39.48 39.00 1uej n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uej s TYR 65 N -3.27 2.90 0.84 1.38 2.02 -1.20 -0.23 117.35 119.79 1uej s TYR 65 Ca 0.52 1.16 -0.13 0.00 -0.37 0.00 0.00 57.07 58.25 1uej s TYR 65 Cb 0.45 -3.85 0.08 0.00 -0.40 0.00 0.00 41.96 38.24 1uej s TYR 65 CO 0.07 -2.58 1.02 0.54 -1.57 0.00 0.00 175.55 173.02 1uej n ARG 66 N 1.39 -0.01 -2.65 -0.62 1.74 -0.49 -4.70 116.66 111.31 1uej n ARG 66 Ca 0.03 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1uej n ARG 66 Cb 0.40 -2.29 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 1uej n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1uej s VAL 67 N -2.25 4.03 0.62 1.55 1.01 -1.26 -4.82 120.40 119.28 1uej s VAL 67 Ca 0.69 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 1uej s VAL 67 Cb -0.27 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.34 1uej s VAL 67 CO 0.55 -1.48 1.32 -0.76 0.00 0.00 0.00 175.10 174.73 1uej s LEU 68 N 4.91 3.64 0.79 3.92 1.02 -1.26 -5.03 118.68 126.66 1uej s LEU 68 Ca 0.35 2.68 -0.08 0.00 0.02 0.00 0.00 54.13 57.10 1uej s LEU 68 Cb -0.10 -4.53 0.12 0.00 0.02 0.00 0.00 46.19 41.71 1uej s LEU 68 CO 0.19 -1.91 1.10 0.42 0.02 0.00 0.00 176.35 176.17 1uej s THR 69 N -1.36 2.15 0.16 5.49 -4.23 -1.26 -4.83 115.64 111.76 1uej s THR 69 Ca 0.80 -0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 1uej s THR 69 Cb -0.39 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.62 1uej s THR 69 CO 0.42 0.00 1.64 0.28 -0.54 0.00 0.00 174.62 176.42 1uej h SER 70 N -0.89 0.89 -0.29 3.99 0.02 -1.98 -0.06 113.55 115.22 1uej h SER 70 Ca -0.42 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.19 1uej h SER 70 Cb 1.28 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1uej h SER 70 CO 0.48 0.94 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.96 1uej h GLU 71 N 0.80 0.57 -0.66 3.45 4.81 -2.00 -2.23 114.58 119.32 1uej h GLU 71 Ca 0.16 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1uej h GLU 71 Cb 0.45 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1uej h GLU 71 CO 0.02 0.76 0.28 1.96 -0.73 0.00 0.00 179.01 181.30 1uej h GLN 72 N 0.33 0.97 0.00 1.92 4.20 -1.91 -2.18 115.11 118.44 1uej h GLN 72 Ca 0.07 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1uej h GLN 72 Cb 0.55 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1uej h GLN 72 CO 0.03 0.80 -0.22 -0.22 -0.67 0.00 0.00 178.83 178.55 1uej h LYS 73 N 0.92 0.00 -0.29 1.46 3.64 -0.96 -1.42 116.57 119.92 1uej h LYS 73 Ca 0.22 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1uej h LYS 73 Cb 0.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1uej h LYS 73 CO -0.02 0.22 -0.10 0.00 -2.27 0.00 0.00 179.45 177.28 1uej h ALA 74 N 1.78 0.40 -0.18 5.00 0.00 -0.79 -2.37 119.26 123.09 1uej h ALA 74 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1uej h ALA 74 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uej h ALA 74 CO 0.03 0.25 0.09 0.87 0.00 0.00 0.00 179.25 180.49 1uej h LYS 75 N 0.33 0.19 -0.70 0.00 1.57 -0.90 -2.37 116.57 114.70 1uej h LYS 75 Ca 0.07 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1uej h LYS 75 Cb 0.60 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 1uej h LYS 75 CO 0.03 0.13 0.25 0.00 -0.57 0.00 0.00 179.45 179.29 1uej h ALA 76 N 1.09 0.94 -0.15 3.86 0.00 -1.16 0.52 119.26 124.36 1uej h ALA 76 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1uej h ALA 76 Cb 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1uej h ALA 76 CO -0.05 -0.23 -0.08 -0.07 0.00 0.00 0.00 179.25 178.82 1uej h LEU 77 N 0.40 0.21 -0.94 0.00 3.38 -1.11 -0.56 115.31 116.69 1uej h LEU 77 Ca 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1uej h LEU 77 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1uej h LEU 77 CO -0.39 0.32 -0.08 0.29 0.09 0.00 0.00 178.44 178.68 1uej n LYS 78 N -4.33 1.51 -2.77 1.13 5.02 0.53 -4.95 118.16 114.30 1uej n LYS 78 Ca -0.01 -0.94 -0.08 0.00 -2.02 0.00 0.00 58.31 55.26 1uej n LYS 78 Cb 0.23 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1uej n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uej n GLY 79 N 1.24 0.23 0.16 0.72 0.00 0.15 -4.95 105.19 102.73 1uej n GLY 79 Ca 0.17 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.97 1uej n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uej n GLN 80 N -2.31 1.16 -4.69 1.61 6.02 0.28 -4.97 117.38 114.48 1uej n GLN 80 Ca -0.06 -1.87 -0.33 0.00 -0.01 0.00 0.00 57.00 54.73 1uej n GLN 80 Cb 0.55 -1.10 -0.13 0.00 1.02 0.00 0.00 30.24 30.58 1uej n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1uej s PHE 81 N -1.66 2.87 -0.99 1.08 5.36 -1.26 -4.80 117.98 118.58 1uej s PHE 81 Ca 0.17 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 55.71 1uej s PHE 81 Cb 0.15 -1.78 0.17 0.00 -0.34 0.00 0.00 43.02 41.22 1uej s PHE 81 CO 0.02 0.07 1.12 1.21 -1.46 0.00 0.00 175.22 176.18 1uej s ASN 82 N -0.23 6.83 0.00 6.13 2.47 -1.26 -4.85 114.94 124.03 1uej s ASN 82 Ca 0.02 -2.55 0.09 0.00 0.42 0.00 0.00 52.86 50.84 1uej s ASN 82 Cb -0.13 -2.34 0.52 0.00 -1.45 0.00 0.00 41.25 37.85 1uej s ASN 82 CO 0.03 -0.81 1.18 0.49 -3.72 0.00 0.00 177.10 174.27 1uej n PHE 83 N 5.43 0.00 0.37 0.43 3.72 -1.26 -3.10 117.46 123.04 1uej n PHE 83 Ca 0.25 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 1uej n PHE 83 Cb 0.46 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.07 1uej n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1uej n ASP 84 N -0.67 2.19 -4.85 4.37 9.92 -1.26 -4.89 116.55 121.36 1uej n ASP 84 Ca 0.07 -1.59 -0.34 0.00 -0.53 0.00 0.00 54.79 52.39 1uej n ASP 84 Cb 0.03 -0.05 -0.06 0.00 -0.64 0.00 0.00 41.12 40.41 1uej n ASP 84 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1uej s HIS 85 N -1.00 3.53 0.62 1.24 2.46 -1.18 -4.79 115.29 116.17 1uej s HIS 85 Ca 0.16 1.02 0.29 0.00 0.47 0.00 0.00 55.06 57.01 1uej s HIS 85 Cb 0.11 -2.36 1.58 0.00 -0.13 0.00 0.00 32.58 31.78 1uej s HIS 85 CO 0.15 0.34 1.94 -1.35 -2.47 0.00 0.00 174.74 173.36 1uej h PRO 86 N 3.10 0.00 0.00 2.88 0.11 -1.94 -0.93 132.00 135.22 1uej h PRO 86 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uej h PRO 86 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uej h PRO 86 CO 0.67 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.02 1uej h ASP 87 N 0.00 0.00 0.37 -2.05 3.32 -1.93 -3.24 116.42 112.89 1uej h ASP 87 Ca 0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1uej h ASP 87 Cb 0.85 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1uej h ASP 87 CO -0.00 0.00 -0.12 0.00 -1.72 0.00 0.00 179.24 177.40 1uej h ALA 88 N 2.09 1.29 -2.61 3.45 0.00 -1.43 -3.43 119.26 118.62 1uej h ALA 88 Ca 0.00 -0.11 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 1uej h ALA 88 Cb 0.90 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1uej h ALA 88 CO 0.00 0.15 -0.18 -0.06 0.00 0.00 0.00 179.25 179.16 1uej s PHE 89 N -4.20 3.50 -1.44 0.00 0.08 -1.22 -1.40 117.98 113.30 1uej s PHE 89 Ca -0.03 0.81 -0.10 0.00 0.12 0.00 0.00 56.93 57.73 1uej s PHE 89 Cb 0.13 -2.20 -0.06 0.00 -0.57 0.00 0.00 43.02 40.32 1uej s PHE 89 CO 0.59 0.39 2.65 -3.47 -0.10 0.00 0.00 175.22 175.28 1uej n ASP 90 N 0.30 7.02 -0.35 1.36 -0.08 0.67 -4.72 116.55 120.74 1uej n ASP 90 Ca -0.03 -2.58 0.30 0.00 -1.51 0.00 0.00 54.79 50.98 1uej n ASP 90 Cb 0.52 -1.48 0.56 0.00 2.34 0.00 0.00 41.12 43.07 1uej n ASP 90 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1uej h ASN 91 N 5.52 0.37 -0.13 1.67 2.35 -1.86 0.12 115.58 123.63 1uej h ASN 91 Ca 0.74 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.68 1uej h ASN 91 Cb 0.34 0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1uej h ASN 91 CO 1.75 -0.27 -0.00 1.05 -1.65 0.00 0.00 177.43 178.31 1uej h GLU 92 N 0.13 0.23 -0.36 0.81 9.09 -1.98 -1.48 114.58 121.03 1uej h GLU 92 Ca 0.80 -0.07 -0.07 0.00 0.05 0.00 0.00 59.36 60.07 1uej h GLU 92 Cb 2.12 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 29.18 1uej h GLU 92 CO -0.63 0.47 -0.08 1.25 0.05 0.00 0.00 179.01 180.07 1uej h LEU 93 N -0.03 0.58 0.50 3.06 5.85 -1.23 -2.29 115.31 121.75 1uej h LEU 93 Ca 0.04 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1uej h LEU 93 Cb 0.37 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1uej h LEU 93 CO 0.01 0.70 -0.24 0.40 -0.34 0.00 0.00 178.44 178.97 1uej h ILE 94 N 0.56 0.51 -0.76 4.05 2.04 -0.99 0.04 117.51 122.95 1uej h ILE 94 Ca 0.11 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 66.04 1uej h ILE 94 Cb 0.48 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1uej h ILE 94 CO 0.03 0.01 0.50 0.25 0.00 0.00 0.00 178.15 178.93 1uej h LEU 95 N -0.70 0.52 0.09 1.44 6.46 -1.14 -0.09 115.31 121.90 1uej h LEU 95 Ca -0.07 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1uej h LEU 95 Cb 0.53 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1uej h LEU 95 CO 0.11 0.29 -0.04 0.50 -0.62 0.00 0.00 178.44 178.68 1uej h LYS 96 N 0.57 -0.12 -0.62 1.25 3.64 -1.06 -0.91 116.57 119.32 1uej h LYS 96 Ca 0.36 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1uej h LYS 96 Cb 0.63 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1uej h LYS 96 CO -0.13 0.37 0.41 1.15 -2.27 0.00 0.00 179.45 178.98 1uej h THR 97 N -0.68 1.15 -0.39 1.00 2.02 -0.56 -1.38 112.91 114.08 1uej h THR 97 Ca -0.01 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 1uej h THR 97 Cb 0.54 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1uej h THR 97 CO 0.02 0.15 -0.11 -0.07 0.37 0.00 0.00 175.52 175.88 1uej h LEU 98 N 0.83 0.66 -0.45 2.58 4.07 -1.09 -1.23 115.31 120.69 1uej h LEU 98 Ca 0.23 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1uej h LEU 98 Cb -0.09 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 1uej h LEU 98 CO -0.05 0.80 0.00 0.50 -1.08 0.00 0.00 178.44 178.61 1uej h LYS 99 N 0.62 0.79 -0.51 1.13 3.11 -0.60 -0.26 116.57 120.85 1uej h LYS 99 Ca 0.11 -0.25 -0.13 0.00 -2.81 0.00 0.00 60.65 57.58 1uej h LYS 99 Cb 0.55 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1uej h LYS 99 CO 0.03 0.85 -0.17 0.93 -2.81 0.00 0.00 179.45 178.28 1uej h GLU 100 N 0.63 1.01 -0.76 1.90 5.08 -1.09 -1.99 114.58 119.37 1uej h GLU 100 Ca 0.13 -0.41 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1uej h GLU 100 Cb 0.49 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1uej h GLU 100 CO 0.02 1.09 0.48 0.82 -1.00 0.00 0.00 179.01 180.42 1uej h ILE 101 N 0.88 1.10 -0.36 3.13 2.04 -1.04 0.84 117.51 124.10 1uej h ILE 101 Ca 0.12 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1uej h ILE 101 Cb 0.75 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1uej h ILE 101 CO 0.06 0.17 0.25 0.74 0.00 0.00 0.00 178.15 179.37 1uej h THR 102 N 0.93 0.94 -0.20 -0.27 2.02 -0.51 0.15 112.91 115.96 1uej h THR 102 Ca 0.31 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1uej h THR 102 Cb 0.03 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1uej h THR 102 CO -0.12 0.04 0.00 -0.62 0.37 0.00 0.00 175.52 175.20 1uej n GLU 103 N -4.47 1.76 -1.00 6.66 1.02 0.20 -4.51 120.64 120.30 1uej n GLU 103 Ca 0.04 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1uej n GLU 103 Cb 0.27 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1uej n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uej n GLY 104 N 0.61 0.25 3.88 0.62 0.00 0.04 -5.00 105.19 105.60 1uej n GLY 104 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1uej n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uej s LYS 105 N -0.98 3.53 -0.12 1.61 1.02 -0.68 -4.70 119.74 119.41 1uej s LYS 105 Ca 0.00 0.57 -0.19 0.00 0.02 0.00 0.00 55.97 56.37 1uej s LYS 105 Cb 0.00 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1uej s LYS 105 CO 0.00 -0.50 0.53 0.99 -0.92 0.00 0.00 175.35 175.45 1uej s THR 106 N -3.07 5.15 0.44 2.17 2.01 -1.26 -4.41 115.64 116.67 1uej s THR 106 Ca 0.53 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.63 1uej s THR 106 Cb -0.11 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1uej s THR 106 CO 0.51 0.29 0.01 0.68 -0.69 0.00 0.00 174.62 175.42 1uej s VAL 107 N 0.82 1.62 -0.11 3.82 -7.23 -0.81 -4.99 120.40 113.52 1uej s VAL 107 Ca 0.28 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1uej s VAL 107 Cb -0.16 -2.67 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 1uej s VAL 107 CO 0.12 0.00 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.59 1uej s GLN 108 N -3.78 3.11 -0.13 4.82 -1.52 -1.26 -0.93 119.66 119.96 1uej s GLN 108 Ca 0.24 -0.84 -0.03 0.00 -1.95 0.00 0.00 55.36 52.78 1uej s GLN 108 Cb 0.07 -2.37 -0.03 0.00 -0.22 0.00 0.00 33.01 30.46 1uej s GLN 108 CO 0.12 0.17 -0.03 0.42 -0.25 0.00 0.00 175.29 175.73 1uej s ILE 109 N 0.37 3.98 0.91 1.08 1.09 0.21 -4.92 121.20 123.92 1uej s ILE 109 Ca -0.17 -0.34 -0.12 0.00 -1.10 0.00 0.00 60.65 58.92 1uej s ILE 109 Cb -0.17 -2.72 0.13 0.00 -1.06 0.00 0.00 42.46 38.64 1uej s ILE 109 CO 0.08 0.53 1.10 -2.16 -0.10 0.00 0.00 174.94 174.38 1uej s PRO 110 N -0.01 1.18 -0.11 2.79 0.04 -1.26 -0.31 135.00 137.32 1uej s PRO 110 Ca 0.01 0.68 0.03 0.00 0.04 0.00 0.00 61.00 61.76 1uej s PRO 110 Cb -0.13 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1uej s PRO 110 CO 0.02 -2.25 -0.20 0.08 0.04 0.00 0.00 177.00 174.69 1uej s VAL 111 N -3.01 1.82 -0.07 -0.36 1.01 -1.22 -4.74 120.40 113.84 1uej s VAL 111 Ca 0.63 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1uej s VAL 111 Cb -0.17 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1uej s VAL 111 CO 0.56 0.50 -0.04 -0.47 0.00 0.00 0.00 175.10 175.66 1uej s TYR 112 N 0.72 3.03 -0.38 5.22 5.04 -1.26 -0.88 117.35 128.83 1uej s TYR 112 Ca -0.11 0.09 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 1uej s TYR 112 Cb -0.16 -1.73 0.07 0.00 0.35 0.00 0.00 41.96 40.48 1uej s TYR 112 CO 0.02 0.39 0.18 0.34 -1.34 0.00 0.00 175.55 175.14 1uej s ASP 113 N -0.90 5.41 0.14 4.32 2.15 0.13 -4.93 116.67 123.00 1uej s ASP 113 Ca 0.13 -1.43 0.20 0.00 0.43 0.00 0.00 52.55 51.88 1uej s ASP 113 Cb -0.11 -1.90 0.83 0.00 -0.30 0.00 0.00 42.92 41.43 1uej s ASP 113 CO 0.02 -0.44 1.61 0.49 -0.17 0.00 0.00 175.17 176.68 1uej n PHE 114 N 4.81 0.44 0.07 -5.34 3.01 -1.26 -0.96 117.46 118.24 1uej n PHE 114 Ca -0.10 0.17 -0.07 0.00 1.01 0.00 0.00 57.45 58.46 1uej n PHE 114 Cb 0.43 -0.78 -0.07 0.00 -0.01 0.00 0.00 39.48 39.05 1uej n PHE 114 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1uej h VAL 115 N 0.00 1.66 -0.01 -4.37 2.07 -1.91 -3.35 116.25 110.35 1uej h VAL 115 Ca 0.00 -3.18 0.00 0.00 0.82 0.00 0.00 66.70 64.34 1uej h VAL 115 Cb 0.33 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1uej h VAL 115 CO 0.00 0.91 0.00 -1.54 0.02 0.00 0.00 177.57 176.96 1uej n SER 116 N -3.44 1.24 -3.24 0.57 3.41 -1.11 -5.01 113.62 106.04 1uej n SER 116 Ca -0.01 -1.15 -0.15 0.00 -0.26 0.00 0.00 58.87 57.30 1uej n SER 116 Cb 0.89 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.91 1uej n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uej n HIS 117 N 0.08 -2.23 -3.84 7.33 -0.00 -0.14 -5.01 115.22 111.41 1uej n HIS 117 Ca 0.01 0.86 -0.12 0.00 -0.00 0.00 0.00 57.72 58.47 1uej n HIS 117 Cb 0.07 -4.47 -0.11 0.00 -0.00 0.00 0.00 29.99 25.47 1uej n HIS 117 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1uej s SER 118 N -3.81 -0.09 -0.36 0.41 0.01 -0.90 -4.63 113.70 104.33 1uej s SER 118 Ca 0.23 0.12 -0.23 0.00 1.31 0.00 0.00 55.95 57.38 1uej s SER 118 Cb -0.03 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.50 1uej s SER 118 CO 0.70 -0.19 0.79 -0.60 0.41 0.00 0.00 173.24 174.35 1uej s ARG 119 N -0.53 3.76 0.96 12.44 3.52 -1.26 0.20 118.95 138.04 1uej s ARG 119 Ca -0.06 0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 1uej s ARG 119 Cb -0.04 -3.81 0.17 0.00 -1.56 0.00 0.00 34.95 29.71 1uej s ARG 119 CO 0.01 -0.85 1.09 0.15 -0.81 0.00 0.00 175.30 174.89 1uej s LYS 120 N 3.11 0.70 0.16 5.12 1.02 -0.06 -4.93 119.74 124.85 1uej s LYS 120 Ca 0.32 0.91 0.01 0.00 0.02 0.00 0.00 55.97 57.23 1uej s LYS 120 Cb -0.13 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1uej s LYS 120 CO 0.17 -2.65 1.37 0.93 -0.92 0.00 0.00 175.35 174.25 1uej h GLU 121 N -1.85 0.23 -6.67 1.68 5.08 -1.96 -3.42 114.58 107.66 1uej h GLU 121 Ca -0.51 -0.25 -0.54 0.00 -1.00 0.00 0.00 59.36 57.06 1uej h GLU 121 Cb 1.29 0.07 0.07 0.00 0.50 0.00 0.00 28.75 30.68 1uej h GLU 121 CO 0.52 0.97 0.91 0.39 -1.00 0.00 0.00 179.01 180.80 1uej n GLU 122 N -3.68 2.61 -4.43 2.33 -0.58 -1.26 -4.98 120.64 110.65 1uej n GLU 122 Ca -0.04 0.94 -0.24 0.00 -0.42 0.00 0.00 57.16 57.39 1uej n GLU 122 Cb 0.80 -2.74 -0.10 0.00 -0.57 0.00 0.00 31.44 28.84 1uej n GLU 122 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1uej s THR 123 N 0.69 2.63 -0.09 2.62 -4.23 -1.26 -3.39 115.64 112.61 1uej s THR 123 Ca 0.72 -2.27 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 1uej s THR 123 Cb -0.54 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 1uej s THR 123 CO 0.39 -0.36 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.26 1uej s VAL 124 N -2.37 2.76 -0.14 2.29 1.01 0.58 -4.93 120.40 119.61 1uej s VAL 124 Ca 0.29 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1uej s VAL 124 Cb -0.06 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1uej s VAL 124 CO 0.15 0.56 0.36 0.28 0.00 0.00 0.00 175.10 176.45 1uej s THR 125 N -0.09 5.26 -0.22 3.92 -1.32 -1.26 0.66 115.64 122.58 1uej s THR 125 Ca -0.03 0.70 0.02 0.00 -1.21 0.00 0.00 61.69 61.17 1uej s THR 125 Cb -0.14 -3.70 0.04 0.00 -1.51 0.00 0.00 72.50 67.19 1uej s THR 125 CO 0.04 0.37 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.97 1uej s VAL 126 N 0.52 2.11 0.50 5.08 1.01 -0.11 -4.97 120.40 124.53 1uej s VAL 126 Ca 0.20 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 1uej s VAL 126 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1uej s VAL 126 CO 0.06 0.25 0.82 -0.31 0.00 0.00 0.00 175.10 175.93 1uej s TYR 127 N 1.20 3.56 0.19 5.22 2.02 -1.26 -1.92 117.35 126.35 1uej s TYR 127 Ca -0.02 0.91 -0.32 0.00 -0.37 0.00 0.00 57.07 57.28 1uej s TYR 127 Cb -0.17 -2.38 -0.16 0.00 -0.40 0.00 0.00 41.96 38.85 1uej s TYR 127 CO -0.09 -0.33 1.07 -2.30 -1.57 0.00 0.00 175.55 172.33 1uej n PRO 128 N -2.24 1.03 -4.44 -1.71 -0.02 -1.26 -4.98 135.00 121.39 1uej n PRO 128 Ca 0.02 0.37 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1uej n PRO 128 Cb 0.55 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 1uej n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uej s ALA 129 N -0.41 2.40 -0.09 3.55 0.00 -1.26 -5.03 121.76 120.91 1uej s ALA 129 Ca 0.71 -1.72 0.15 0.00 0.00 0.00 0.00 51.96 51.10 1uej s ALA 129 Cb -0.85 0.81 -0.15 0.00 0.00 0.00 0.00 23.12 22.92 1uej s ALA 129 CO 0.54 -0.36 0.84 -0.44 0.00 0.00 0.00 175.76 176.34 1uej h ASP 130 N 2.06 0.00 -3.52 0.00 3.32 -1.07 -3.38 116.42 113.84 1uej h ASP 130 Ca -0.38 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.40 1uej h ASP 130 Cb 1.26 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.48 1uej h ASP 130 CO 0.62 0.71 -0.69 -0.69 -1.72 0.00 0.00 179.24 177.47 1uej s VAL 131 N -2.83 -0.05 -0.14 -1.35 1.01 -0.88 -1.01 120.40 115.16 1uej s VAL 131 Ca -0.03 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1uej s VAL 131 Cb 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.36 1uej s VAL 131 CO 0.81 0.08 -0.14 -0.69 0.00 0.00 0.00 175.10 175.16 1uej s VAL 132 N 1.00 1.51 -0.25 2.92 1.01 -0.65 -1.90 120.40 124.05 1uej s VAL 132 Ca -0.08 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1uej s VAL 132 Cb -0.11 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1uej s VAL 132 CO -0.04 0.45 0.13 -0.76 0.00 0.00 0.00 175.10 174.88 1uej s LEU 133 N 1.40 3.86 -0.30 3.92 1.02 -0.30 -0.36 118.68 127.92 1uej s LEU 133 Ca 0.03 -0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.11 1uej s LEU 133 Cb -0.13 -2.04 0.03 0.00 0.02 0.00 0.00 46.19 44.07 1uej s LEU 133 CO -0.09 0.02 0.04 0.12 0.02 0.00 0.00 176.35 176.46 1uej s PHE 134 N 1.34 3.18 -0.07 0.29 5.36 0.05 0.35 117.98 128.49 1uej s PHE 134 Ca 0.06 -1.41 0.04 0.00 -0.96 0.00 0.00 56.93 54.67 1uej s PHE 134 Cb -0.15 -2.19 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 1uej s PHE 134 CO 0.06 -0.70 -0.18 -2.00 -1.46 0.00 0.00 175.22 170.94 1uej s GLU 135 N 1.39 2.66 -0.01 10.12 -6.30 -0.24 0.06 118.70 126.38 1uej s GLU 135 Ca -0.01 -0.77 -0.30 0.00 -2.50 0.00 0.00 54.97 51.39 1uej s GLU 135 Cb -0.18 -2.34 0.11 0.00 0.00 0.00 0.00 34.13 31.72 1uej s GLU 135 CO 0.00 0.47 1.19 0.20 0.02 0.00 0.00 175.26 177.14 1uej s GLY 136 N -0.34 -0.36 0.08 -1.50 0.00 -0.34 -0.40 107.32 104.45 1uej s GLY 136 Ca 0.03 0.72 0.25 0.00 0.00 0.00 0.00 44.72 45.72 1uej s GLY 136 CO 0.02 0.16 1.78 0.29 0.00 0.00 0.00 173.10 175.36 1uej n ILE 137 N -0.42 0.42 -2.36 0.90 -5.35 -1.26 -3.59 119.36 107.70 1uej n ILE 137 Ca -0.07 0.01 0.03 0.00 -0.27 0.00 0.00 62.75 62.45 1uej n ILE 137 Cb 0.62 -0.69 0.01 0.00 -1.74 0.00 0.00 39.64 37.84 1uej n ILE 137 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1uej n LEU 138 N -1.76 0.73 0.27 7.28 4.77 -1.26 -4.59 117.00 122.45 1uej n LEU 138 Ca 0.05 -1.73 0.18 0.00 -0.03 0.00 0.00 56.01 54.48 1uej n LEU 138 Cb 0.32 -0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.34 1uej n LEU 138 CO 0.24 0.43 1.15 0.00 -1.33 0.00 0.00 177.39 177.89 1uej h ALA 139 N 0.73 1.49 -0.01 -1.18 0.00 -1.86 -2.12 119.26 116.31 1uej h ALA 139 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1uej h ALA 139 Cb 1.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1uej h ALA 139 CO 0.07 -0.21 -0.41 1.19 0.00 0.00 0.00 179.25 179.89 1uej n PHE 140 N -3.44 0.00 0.22 0.00 3.72 -1.26 -4.48 117.46 112.22 1uej n PHE 140 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 1uej n PHE 140 Cb 0.26 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.72 1uej n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1uej h TYR 141 N 1.77 -0.83 -3.07 1.38 3.20 -1.71 -3.42 116.97 114.29 1uej h TYR 141 Ca 0.00 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.34 1uej h TYR 141 Cb 0.58 0.32 0.01 0.00 1.54 0.00 0.00 36.73 39.18 1uej h TYR 141 CO 0.00 -0.45 0.67 0.45 -1.64 0.00 0.00 178.16 177.19 1uej s SER 142 N -4.63 6.95 0.39 -2.11 0.15 -1.26 -4.93 113.70 108.25 1uej s SER 142 Ca -0.16 2.14 0.19 0.00 0.70 0.00 0.00 55.95 58.81 1uej s SER 142 Cb 0.06 -2.58 0.77 0.00 -1.71 0.00 0.00 66.02 62.56 1uej s SER 142 CO 0.63 -0.58 1.78 -0.61 1.20 0.00 0.00 173.24 175.66 1uej h GLN 143 N 7.00 0.00 -0.06 5.44 4.15 -1.97 -0.76 115.11 128.91 1uej h GLN 143 Ca -0.41 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 1uej h GLN 143 Cb 1.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1uej h GLN 143 CO 0.85 0.35 -0.02 0.93 -1.93 0.00 0.00 178.83 179.00 1uej h GLU 144 N 0.00 0.13 -0.54 1.69 5.08 -1.96 -2.36 114.58 116.62 1uej h GLU 144 Ca -0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1uej h GLU 144 Cb 0.81 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1uej h GLU 144 CO 0.05 0.48 0.20 0.28 -1.00 0.00 0.00 179.01 179.01 1uej h VAL 145 N -0.23 1.23 -0.65 3.13 2.07 -1.91 -2.90 116.25 116.98 1uej h VAL 145 Ca 0.02 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.86 1uej h VAL 145 Cb 0.44 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1uej h VAL 145 CO 0.01 0.27 0.43 -0.09 0.02 0.00 0.00 177.57 178.21 1uej h ARG 146 N 0.74 0.69 0.00 1.57 2.43 -1.12 -1.84 114.38 116.85 1uej h ARG 146 Ca 0.18 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1uej h ARG 146 Cb 0.23 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1uej h ARG 146 CO -0.01 0.46 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.36 1uej h ASP 147 N 0.71 0.00 0.72 -3.80 3.32 -1.21 -3.00 116.42 113.16 1uej h ASP 147 Ca 0.27 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1uej h ASP 147 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1uej h ASP 147 CO -0.08 0.11 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.10 1uej h LEU 148 N 0.00 0.00 -9.44 1.55 3.38 -1.35 -3.43 115.31 106.02 1uej h LEU 148 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1uej h LEU 148 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1uej h LEU 148 CO 0.01 0.38 0.42 -0.36 0.09 0.00 0.00 178.44 178.98 1uej s PHE 149 N -3.73 3.61 -2.56 1.13 0.08 -1.13 -4.70 117.98 110.67 1uej s PHE 149 Ca -0.01 1.61 0.25 0.00 0.12 0.00 0.00 56.93 58.90 1uej s PHE 149 Cb 0.12 -3.19 0.70 0.00 -0.57 0.00 0.00 43.02 40.08 1uej s PHE 149 CO 0.69 -0.30 1.54 1.04 -0.10 0.00 0.00 175.22 178.09 1uej n GLN 150 N 3.83 1.94 -3.64 0.44 6.02 -0.37 -4.81 117.38 120.80 1uej n GLN 150 Ca 0.06 -1.39 -0.09 0.00 -0.01 0.00 0.00 57.00 55.58 1uej n GLN 150 Cb 0.50 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.23 1uej n GLN 150 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1uej s MET 151 N -1.89 0.68 -0.07 -1.09 0.00 -1.23 -5.04 119.30 110.67 1uej s MET 151 Ca 0.34 1.01 0.03 0.00 0.00 0.00 0.00 55.69 57.07 1uej s MET 151 Cb 0.20 0.23 0.01 0.00 0.00 0.00 0.00 34.83 35.27 1uej s MET 151 CO 0.31 -0.11 -0.14 0.15 0.00 0.00 0.00 175.02 175.22 1uej s LYS 152 N 1.05 1.86 -0.07 4.11 1.02 -1.26 -0.35 119.74 126.10 1uej s LYS 152 Ca -0.05 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.49 1uej s LYS 152 Cb -0.05 -1.52 -0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1uej s LYS 152 CO -0.11 0.08 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.65 1uej s LEU 153 N 0.53 2.04 -0.14 3.17 1.43 0.62 -0.51 118.68 125.82 1uej s LEU 153 Ca -0.13 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1uej s LEU 153 Cb -0.15 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 1uej s LEU 153 CO 0.04 0.19 -0.16 0.12 0.23 0.00 0.00 176.35 176.78 1uej s PHE 154 N 0.09 2.76 -0.25 0.29 2.19 -0.57 -0.58 117.98 121.91 1uej s PHE 154 Ca -0.10 -0.94 -0.12 0.00 0.33 0.00 0.00 56.93 56.09 1uej s PHE 154 Cb -0.15 -1.86 -0.05 0.00 -1.31 0.00 0.00 43.02 39.66 1uej s PHE 154 CO 0.06 -0.40 0.25 0.08 1.83 0.00 0.00 175.22 177.03 1uej s VAL 155 N 0.65 5.28 -0.15 3.12 1.01 0.10 0.31 120.40 130.73 1uej s VAL 155 Ca -0.08 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1uej s VAL 155 Cb -0.16 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1uej s VAL 155 CO 0.02 0.27 -0.00 -1.81 0.00 0.00 0.00 175.10 173.58 1uej s ASP 156 N 1.32 5.13 -0.13 3.32 1.01 -0.09 -4.24 116.67 122.99 1uej s ASP 156 Ca 0.11 -0.01 -0.12 0.00 0.71 0.00 0.00 52.55 53.24 1uej s ASP 156 Cb -0.15 -1.77 0.03 0.00 1.01 0.00 0.00 42.92 42.05 1uej s ASP 156 CO 0.08 0.22 0.34 -0.89 0.21 0.00 0.00 175.17 175.12 1uej s THR 157 N 0.09 0.00 0.02 -1.27 2.01 -1.26 -1.77 115.64 113.46 1uej s THR 157 Ca 0.02 -0.01 -0.39 0.00 0.31 0.00 0.00 61.69 61.62 1uej s THR 157 Cb -0.13 -0.48 -0.18 0.00 0.01 0.00 0.00 72.50 71.72 1uej s THR 157 CO 0.02 -0.00 1.22 0.47 -0.69 0.00 0.00 174.62 175.64 1uej n ASP 158 N 2.88 0.82 -0.25 3.53 8.00 -1.26 -4.76 116.55 125.52 1uej n ASP 158 Ca -0.13 1.14 0.08 0.00 0.71 0.00 0.00 54.79 56.59 1uej n ASP 158 Cb 0.58 -1.05 0.33 0.00 -0.02 0.00 0.00 41.12 40.96 1uej n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uej h ALA 159 N 3.85 1.70 -0.13 2.24 0.00 -1.99 -1.12 119.26 123.81 1uej h ALA 159 Ca -0.49 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1uej h ALA 159 Cb 1.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1uej h ALA 159 CO 0.72 0.14 -0.43 0.38 0.00 0.00 0.00 179.25 180.06 1uej h ASP 160 N 0.81 0.32 -0.40 0.00 2.03 -2.00 0.10 116.42 117.28 1uej h ASP 160 Ca 0.38 -0.14 -0.11 0.00 -0.73 0.00 0.00 57.03 56.43 1uej h ASP 160 Cb 0.41 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 1uej h ASP 160 CO -0.15 0.72 -0.19 0.74 -1.03 0.00 0.00 179.24 179.32 1uej h THR 161 N 0.25 1.28 -0.13 1.15 2.02 -1.63 -2.54 112.91 113.31 1uej h THR 161 Ca 0.02 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 1uej h THR 161 Cb 0.87 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1uej h THR 161 CO 0.07 0.44 0.04 0.03 0.37 0.00 0.00 175.52 176.48 1uej h ARG 162 N 0.65 0.20 -0.37 6.66 3.08 -0.99 -2.38 114.38 121.22 1uej h ARG 162 Ca 0.09 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.16 1uej h ARG 162 Cb 0.75 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 1uej h ARG 162 CO 0.06 0.33 0.01 1.25 -1.07 0.00 0.00 179.97 180.55 1uej h LEU 163 N 0.03 -0.13 -0.90 3.04 6.46 -0.92 0.11 115.31 123.00 1uej h LEU 163 Ca 0.04 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 58.00 1uej h LEU 163 Cb 0.21 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.20 1uej h LEU 163 CO -0.00 -0.03 0.53 -1.28 -0.62 0.00 0.00 178.44 177.04 1uej h SER 164 N 0.11 0.75 -0.23 1.25 0.87 -1.35 0.31 113.55 115.26 1uej h SER 164 Ca 0.18 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1uej h SER 164 Cb 0.25 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1uej h SER 164 CO -0.29 0.40 -0.19 0.03 -0.53 0.00 0.00 176.83 176.24 1uej h ARG 165 N 0.84 0.54 -0.73 2.24 3.08 -0.71 -2.59 114.38 117.04 1uej h ARG 165 Ca 0.45 -0.27 0.06 0.00 0.07 0.00 0.00 59.98 60.29 1uej h ARG 165 Cb 0.47 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 1uej h ARG 165 CO -0.27 0.85 0.42 -0.09 -1.07 0.00 0.00 179.97 179.80 1uej h ARG 166 N 0.24 0.74 0.03 0.04 9.65 0.55 -0.04 114.38 125.59 1uej h ARG 166 Ca 0.04 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1uej h ARG 166 Cb 0.73 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1uej h ARG 166 CO 0.05 0.49 -0.01 0.28 2.80 0.00 0.00 179.97 183.58 1uej h VAL 167 N 0.76 1.11 -0.65 0.20 2.07 -0.39 -1.64 116.25 117.70 1uej h VAL 167 Ca 0.33 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1uej h VAL 167 Cb 0.20 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1uej h VAL 167 CO -0.19 0.10 0.26 -0.07 0.02 0.00 0.00 177.57 177.69 1uej h LEU 168 N -0.21 0.91 -0.05 2.57 3.38 -1.06 -2.32 115.31 118.53 1uej h LEU 168 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1uej h LEU 168 Cb 0.20 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1uej h LEU 168 CO 0.01 0.84 -0.01 -0.09 0.09 0.00 0.00 178.44 179.27 1uej h ARG 169 N 0.93 0.09 -0.32 1.13 2.43 -1.00 -1.75 114.38 115.89 1uej h ARG 169 Ca 0.22 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1uej h ARG 169 Cb 0.22 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 1uej h ARG 169 CO -0.02 0.45 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.40 1uej h ASP 170 N -0.27 -0.24 -0.76 -3.80 5.19 -1.28 1.66 116.42 116.92 1uej h ASP 170 Ca 0.01 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1uej h ASP 170 Cb 0.42 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.06 1uej h ASP 170 CO 0.01 -0.08 0.45 0.40 -3.12 0.00 0.00 179.24 176.89 1uej h ILE 171 N 0.03 1.22 0.00 0.35 2.04 -1.45 -1.57 117.51 118.13 1uej h ILE 171 Ca 0.15 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1uej h ILE 171 Cb 0.23 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1uej h ILE 171 CO -0.30 0.24 -0.02 -1.28 0.00 0.00 0.00 178.15 176.78 1uej h SER 172 N 1.06 0.00 1.01 1.72 0.87 -0.23 -3.33 113.55 114.66 1uej h SER 172 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1uej h SER 172 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1uej h SER 172 CO -0.05 0.44 -0.74 -0.33 -0.53 0.00 0.00 176.83 175.62 1uej h GLU 173 N -0.86 0.00 0.00 2.24 5.08 0.23 -3.37 114.58 117.90 1uej h GLU 173 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uej h GLU 173 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1uej h GLU 173 CO 0.00 0.00 -0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1uej n ARG 174 N -2.43 1.98 -3.42 2.33 1.74 -0.66 -4.90 116.66 111.30 1uej n ARG 174 Ca 0.02 -2.10 -0.38 0.00 -0.77 0.00 0.00 57.85 54.62 1uej n ARG 174 Cb 0.49 -1.28 0.04 0.00 -1.02 0.00 0.00 32.46 30.69 1uej n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uej n GLY 175 N -1.02 0.14 3.33 -0.13 0.00 -0.79 -4.61 105.19 102.10 1uej n GLY 175 Ca 0.09 1.10 -0.18 0.00 0.00 0.00 0.00 46.02 47.03 1uej n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uej s ARG 176 N -2.42 1.57 -0.00 1.61 0.52 -1.08 -4.98 118.95 114.17 1uej s ARG 176 Ca 0.36 -1.89 0.01 0.00 -0.52 0.00 0.00 55.73 53.69 1uej s ARG 176 Cb -0.04 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 1uej s ARG 176 CO 0.84 -0.45 0.02 -0.51 0.02 0.00 0.00 175.30 175.22 1uej s ASP 177 N -3.36 5.26 0.01 0.23 1.01 -1.26 -4.41 116.67 114.15 1uej s ASP 177 Ca 0.36 0.03 -0.03 0.00 0.71 0.00 0.00 52.55 53.62 1uej s ASP 177 Cb 0.05 -1.41 -0.01 0.00 1.01 0.00 0.00 42.92 42.56 1uej s ASP 177 CO 0.18 0.28 1.06 0.25 0.21 0.00 0.00 175.17 177.14 1uej h LEU 178 N 4.29 -0.20 -1.08 1.23 6.46 -1.99 -0.90 115.31 123.12 1uej h LEU 178 Ca -0.49 0.03 0.23 0.00 -0.12 0.00 0.00 57.88 57.52 1uej h LEU 178 Cb 1.18 0.08 -0.11 0.00 -0.73 0.00 0.00 40.66 41.08 1uej h LEU 178 CO 0.58 -0.04 0.61 -0.33 -0.62 0.00 0.00 178.44 178.65 1uej h GLU 179 N -0.04 0.60 -0.55 1.25 5.08 -1.99 -0.03 114.58 118.90 1uej h GLU 179 Ca 0.01 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1uej h GLU 179 Cb 0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1uej h GLU 179 CO -0.06 0.40 -0.08 1.96 -1.00 0.00 0.00 179.01 180.23 1uej h GLN 180 N 0.62 1.02 0.00 2.33 1.08 -1.81 -0.32 115.11 118.02 1uej h GLN 180 Ca 0.61 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1uej h GLN 180 Cb 1.14 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1uej h GLN 180 CO -0.40 1.04 -0.00 0.82 -0.95 0.00 0.00 178.83 179.34 1uej h ILE 181 N 0.91 1.22 -0.96 2.54 2.04 0.31 0.19 117.51 123.78 1uej h ILE 181 Ca 0.15 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1uej h ILE 181 Cb 0.63 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 1uej h ILE 181 CO 0.04 0.17 0.63 -0.07 0.00 0.00 0.00 178.15 178.93 1uej h LEU 182 N -0.28 1.09 -0.56 1.44 3.38 -1.13 0.39 115.31 119.64 1uej h LEU 182 Ca -0.00 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1uej h LEU 182 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1uej h LEU 182 CO 0.00 0.79 -0.10 -1.28 0.09 0.00 0.00 178.44 177.94 1uej h SER 183 N 1.29 1.05 -0.46 -0.43 0.87 -0.87 -0.60 113.55 114.40 1uej h SER 183 Ca 0.35 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1uej h SER 183 Cb -0.13 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.52 1uej h SER 183 CO -0.08 1.15 -0.08 -0.61 -0.53 0.00 0.00 176.83 176.68 1uej h GLN 184 N 0.93 0.92 0.32 2.24 4.15 0.36 -1.59 115.11 122.44 1uej h GLN 184 Ca 0.15 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1uej h GLN 184 Cb 0.67 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1uej h GLN 184 CO 0.05 0.96 -0.15 -0.92 -1.93 0.00 0.00 178.83 176.83 1uej h TYR 185 N 0.83 -0.39 -0.74 3.99 3.20 0.08 0.16 116.97 124.09 1uej h TYR 185 Ca 0.14 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1uej h TYR 185 Cb 0.60 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1uej h TYR 185 CO 0.04 -0.18 0.34 0.82 -1.64 0.00 0.00 178.16 177.53 1uej h ILE 186 N -0.52 1.24 0.02 1.81 1.08 -1.08 -1.66 117.51 118.40 1uej h ILE 186 Ca -0.04 -0.70 -0.24 0.00 -0.39 0.00 0.00 64.86 63.48 1uej h ILE 186 Cb 0.39 0.34 0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1uej h ILE 186 CO 0.07 0.29 -0.97 0.74 -0.69 0.00 0.00 178.15 177.60 1uej h THR 187 N 1.04 1.32 0.00 -0.27 2.02 -1.24 -3.41 112.91 112.37 1uej h THR 187 Ca 0.25 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1uej h THR 187 Cb 0.14 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1uej h THR 187 CO -0.03 0.68 -0.40 0.49 0.37 0.00 0.00 175.52 176.63 1uej n PHE 188 N -3.94 -0.05 -0.06 3.16 3.72 0.52 -4.68 117.46 116.13 1uej n PHE 188 Ca -0.11 0.01 -0.14 0.00 -0.05 0.00 0.00 57.45 57.15 1uej n PHE 188 Cb 0.85 0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 39.31 1uej n PHE 188 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1uej h VAL 189 N 0.00 0.01 -0.26 -4.37 2.07 -1.22 0.51 116.25 113.00 1uej h VAL 189 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1uej h VAL 189 Cb 0.40 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1uej h VAL 189 CO 0.00 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 177.98 1uej h LYS 190 N -0.50 0.53 -0.03 1.57 3.64 -1.59 0.13 116.57 120.32 1uej h LYS 190 Ca 0.06 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1uej h LYS 190 Cb 0.64 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1uej h LYS 190 CO -0.50 0.78 -0.02 -1.35 -2.27 0.00 0.00 179.45 176.09 1uej h PRO 191 N 0.26 0.04 0.14 1.90 0.11 -1.75 -2.28 132.00 130.41 1uej h PRO 191 Ca 0.06 -0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.85 1uej h PRO 191 Cb 0.62 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1uej h PRO 191 CO 0.04 0.06 -1.56 0.00 -0.21 0.00 0.00 178.00 176.32 1uej h ALA 192 N 1.95 0.23 -0.29 -0.75 0.00 -0.70 -2.84 119.26 116.86 1uej h ALA 192 Ca 0.01 -1.10 0.03 0.00 0.00 0.00 0.00 54.91 53.85 1uej h ALA 192 Cb 0.06 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1uej h ALA 192 CO 0.00 1.09 0.10 0.35 0.00 0.00 0.00 179.25 180.79 1uej h PHE 193 N 0.08 0.18 -0.39 0.00 3.57 -0.42 0.81 116.94 120.77 1uej h PHE 193 Ca -0.26 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.16 1uej h PHE 193 Cb 2.04 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.73 1uej h PHE 193 CO 0.07 0.08 -0.16 0.93 -2.23 0.00 0.00 178.31 177.01 1uej h GLU 194 N 0.23 0.71 0.17 1.11 5.08 -1.54 0.26 114.58 120.59 1uej h GLU 194 Ca 0.13 -0.25 -0.27 0.00 -1.00 0.00 0.00 59.36 57.96 1uej h GLU 194 Cb 0.10 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.31 1uej h GLU 194 CO -0.13 0.83 -1.30 1.49 -1.00 0.00 0.00 179.01 178.90 1uej h GLU 195 N 0.64 0.35 0.00 2.33 4.81 -1.21 -3.41 114.58 118.09 1uej h GLU 195 Ca 0.10 -0.60 -0.27 0.00 -0.13 0.00 0.00 59.36 58.46 1uej h GLU 195 Cb 0.63 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 1uej h GLU 195 CO 0.04 1.29 -2.02 1.19 -0.73 0.00 0.00 179.01 178.78 1uej n PHE 196 N -3.89 0.00 0.03 0.92 3.72 0.25 -4.70 117.46 113.79 1uej n PHE 196 Ca -0.20 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.18 1uej n PHE 196 Cb 0.95 -0.69 -0.01 0.00 -0.94 0.00 0.00 39.48 38.79 1uej n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uej h LEU 198 N -0.68 0.07 -2.41 0.00 6.46 -0.75 0.14 115.31 118.14 1uej h LEU 198 Ca -0.01 0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1uej h LEU 198 Cb 0.11 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1uej h LEU 198 CO 0.02 -0.18 0.07 -0.65 -0.62 0.00 0.00 178.44 177.08 1uej h PRO 199 N 0.21 0.00 0.00 5.25 0.11 -1.79 -0.33 132.00 135.45 1uej h PRO 199 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1uej h PRO 199 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1uej h PRO 199 CO -0.67 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.37 1uej n THR 200 N -3.80 0.64 0.19 -1.15 -2.24 0.49 -2.92 114.28 105.50 1uej n THR 200 Ca -0.02 0.16 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 1uej n THR 200 Cb 0.16 -0.83 0.60 0.00 -2.10 0.00 0.00 70.33 68.17 1uej n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1uej h LYS 201 N 0.00 0.10 0.00 -0.78 3.64 -1.15 -0.93 116.57 117.45 1uej h LYS 201 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1uej h LYS 201 Cb 0.33 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1uej h LYS 201 CO 0.00 0.07 0.00 1.57 -2.27 0.00 0.00 179.45 178.82 1uej h LYS 202 N 0.10 0.00 0.00 1.90 2.10 -1.73 -2.27 116.57 116.66 1uej h LYS 202 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1uej h LYS 202 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1uej h LYS 202 CO -0.01 0.00 -0.38 0.66 -2.00 0.00 0.00 179.45 177.72 1uej n TYR 203 N -2.78 0.63 -2.24 0.07 4.01 -0.35 -4.94 117.16 111.57 1uej n TYR 203 Ca -0.01 0.18 -0.36 0.00 -0.16 0.00 0.00 57.90 57.55 1uej n TYR 203 Cb 0.17 -0.72 -0.00 0.00 -0.31 0.00 0.00 39.34 38.47 1uej n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uej s ALA 204 N -3.13 2.84 -0.06 -0.72 0.00 -0.86 -4.84 121.76 115.00 1uej s ALA 204 Ca 0.08 0.90 0.14 0.00 0.00 0.00 0.00 51.96 53.08 1uej s ALA 204 Cb 0.13 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.71 1uej s ALA 204 CO 0.67 -0.73 0.87 -0.44 0.00 0.00 0.00 175.76 176.12 1uej h ASP 205 N 1.66 0.00 -3.37 0.00 3.32 -1.13 -3.46 116.42 113.44 1uej h ASP 205 Ca -0.50 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.32 1uej h ASP 205 Cb 1.26 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.49 1uej h ASP 205 CO 0.59 0.79 -0.57 -0.69 -1.72 0.00 0.00 179.24 177.64 1uej s VAL 206 N -2.77 -0.07 -0.14 -1.35 1.01 -1.12 -5.05 120.40 110.91 1uej s VAL 206 Ca -0.03 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1uej s VAL 206 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1uej s VAL 206 CO 0.81 0.08 0.11 -0.63 0.00 0.00 0.00 175.10 175.47 1uej s ILE 207 N 1.32 5.25 -0.36 2.22 1.01 -1.26 -1.51 121.20 127.86 1uej s ILE 207 Ca -0.08 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1uej s ILE 207 Cb -0.11 -3.31 0.10 0.00 0.01 0.00 0.00 42.46 39.15 1uej s ILE 207 CO -0.07 0.56 0.09 -0.63 0.00 0.00 0.00 174.94 174.90 1uej s ILE 208 N -0.57 2.47 0.49 2.92 1.01 0.15 -4.93 121.20 122.75 1uej s ILE 208 Ca 0.12 -2.36 -0.21 0.00 0.00 0.00 0.00 60.65 58.20 1uej s ILE 208 Cb -0.12 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.48 1uej s ILE 208 CO 0.02 -0.63 1.08 -2.16 0.00 0.00 0.00 174.94 173.25 1uej s PRO 209 N 0.86 3.68 0.00 2.79 0.04 -1.26 -0.91 135.00 140.20 1uej s PRO 209 Ca 0.11 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1uej s PRO 209 Cb -0.20 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1uej s PRO 209 CO -0.07 -0.55 0.00 0.54 0.04 0.00 0.00 177.00 176.96 1uej n ARG 210 N -0.96 -0.50 0.00 4.56 1.74 -0.73 -4.43 116.66 116.35 1uej n ARG 210 Ca 0.10 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1uej n ARG 210 Cb 0.51 -3.84 0.00 0.00 -1.02 0.00 0.00 32.46 28.12 1uej n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uej n GLY 211 N -1.45 3.24 0.32 -0.13 0.00 -1.20 -2.70 105.19 103.27 1uej n GLY 211 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.00 1uej n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uej h ALA 212 N -0.86 1.87 0.00 4.61 0.00 -1.86 -1.43 119.26 121.60 1uej h ALA 212 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uej h ALA 212 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uej h ALA 212 CO 0.00 -0.22 0.00 -0.44 0.00 0.00 0.00 179.25 178.59 1uej h ASP 213 N 0.00 0.00 -0.27 0.00 3.32 -1.85 -3.33 116.42 114.29 1uej h ASP 213 Ca 0.07 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.42 1uej h ASP 213 Cb 0.36 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1uej h ASP 213 CO -0.00 0.00 3.18 -3.20 -1.72 0.00 0.00 179.24 177.50 1uej n ASN 214 N -2.54 6.04 0.23 6.45 2.85 -0.54 -4.70 115.26 123.05 1uej n ASN 214 Ca 0.01 -2.81 0.16 0.00 -0.11 0.00 0.00 54.58 51.83 1uej n ASN 214 Cb 0.21 -1.58 0.84 0.00 1.24 0.00 0.00 39.78 40.50 1uej n ASN 214 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1uej h LEU 215 N 8.34 0.00 -0.19 1.20 3.38 -1.84 -1.25 115.31 124.94 1uej h LEU 215 Ca 0.66 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.51 1uej h LEU 215 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1uej h LEU 215 CO 1.79 0.00 -0.37 0.58 0.09 0.00 0.00 178.44 180.53 1uej h VAL 216 N 0.00 1.33 -0.49 1.22 2.07 -1.94 -1.58 116.25 116.86 1uej h VAL 216 Ca 0.06 -1.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 1uej h VAL 216 Cb 0.34 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1uej h VAL 216 CO -0.00 0.49 -0.04 0.00 0.02 0.00 0.00 177.57 178.04 1uej h ALA 217 N 0.60 0.66 0.00 1.67 0.00 -1.69 -2.76 119.26 117.74 1uej h ALA 217 Ca 0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1uej h ALA 217 Cb 0.97 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1uej h ALA 217 CO 0.08 0.50 -0.40 0.82 0.00 0.00 0.00 179.25 180.25 1uej h ILE 218 N 0.74 1.07 -0.02 0.00 2.04 -1.28 -2.57 117.51 117.49 1uej h ILE 218 Ca 0.13 -1.50 -0.20 0.00 1.00 0.00 0.00 64.86 64.29 1uej h ILE 218 Cb 0.57 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1uej h ILE 218 CO 0.03 0.39 -0.84 0.78 0.00 0.00 0.00 178.15 178.52 1uej h ASN 219 N 0.00 0.41 -0.41 1.72 -0.26 -1.15 -1.47 115.58 114.42 1uej h ASN 219 Ca -0.00 -0.31 -0.10 0.00 -0.56 0.00 0.00 56.30 55.33 1uej h ASN 219 Cb 0.83 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.95 1uej h ASN 219 CO 0.05 1.08 -0.12 -0.07 -1.06 0.00 0.00 177.43 177.31 1uej h LEU 220 N 0.20 0.83 0.17 1.61 3.38 -1.37 0.11 115.31 120.23 1uej h LEU 220 Ca -0.05 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1uej h LEU 220 Cb 1.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1uej h LEU 220 CO 0.14 1.01 -0.14 0.40 0.09 0.00 0.00 178.44 179.94 1uej h ILE 221 N 0.63 0.70 -0.52 1.22 2.04 -1.42 0.60 117.51 120.77 1uej h ILE 221 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1uej h ILE 221 Cb 0.66 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 1uej h ILE 221 CO 0.05 0.00 0.15 0.58 0.00 0.00 0.00 178.15 178.93 1uej h VAL 222 N -0.32 0.77 -0.75 1.67 2.07 -1.09 0.89 116.25 119.49 1uej h VAL 222 Ca -0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1uej h VAL 222 Cb 0.29 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1uej h VAL 222 CO -0.01 0.06 0.45 -0.61 0.02 0.00 0.00 177.57 177.47 1uej h GLN 223 N 0.31 1.02 -0.43 1.57 5.75 -0.63 -1.46 115.11 121.24 1uej h GLN 223 Ca 0.26 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1uej h GLN 223 Cb 0.32 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1uej h GLN 223 CO -0.29 0.72 0.25 1.25 -2.65 0.00 0.00 178.83 178.11 1uej h HIS 224 N 1.02 0.59 -0.84 3.99 2.76 0.26 -1.26 115.15 121.66 1uej h HIS 224 Ca 0.27 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.48 1uej h HIS 224 Cb -0.03 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.69 1uej h HIS 224 CO -0.01 0.43 0.53 0.82 -1.30 0.00 0.00 177.93 178.40 1uej h ILE 225 N 0.57 1.09 -0.24 6.26 2.04 -0.35 -2.11 117.51 124.76 1uej h ILE 225 Ca 0.15 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.52 1uej h ILE 225 Cb 0.03 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1uej h ILE 225 CO -0.03 0.18 -0.46 1.56 0.00 0.00 0.00 178.15 179.40 1uej h GLN 226 N 1.00 0.62 -0.03 2.37 4.20 -0.91 -2.55 115.11 119.81 1uej h GLN 226 Ca 0.35 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1uej h GLN 226 Cb 0.09 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1uej h GLN 226 CO -0.14 0.95 -0.29 -0.44 -0.67 0.00 0.00 178.83 178.24 1uej h ASP 227 N 0.50 0.05 1.05 1.46 3.32 -0.86 -2.27 116.42 119.67 1uej h ASP 227 Ca 0.03 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1uej h ASP 227 Cb 1.00 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1uej h ASP 227 CO 0.09 0.34 -0.75 0.40 -1.72 0.00 0.00 179.24 177.60 1uej h ILE 228 N 0.05 1.38 -0.02 0.35 2.04 -1.25 -3.51 117.51 116.53 1uej h ILE 228 Ca 0.01 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1uej h ILE 228 Cb 0.54 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1uej h ILE 228 CO 0.04 0.74 0.00 0.18 0.00 0.00 0.00 178.15 179.11