#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ceu s LEU 3 N 0.00 4.27 -0.09 -0.35 2.96 -1.26 -0.83 118.68 123.38 3ceu s LEU 3 Ca 0.00 -1.42 -0.12 0.00 -0.22 0.00 0.00 54.13 52.37 3ceu s LEU 3 Cb 0.00 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 3ceu s LEU 3 CO 0.00 -0.33 0.28 -0.63 -1.32 0.00 0.00 176.35 174.34 3ceu s ILE 4 N 1.25 5.28 -0.12 6.68 1.01 0.46 -4.12 121.20 131.64 3ceu s ILE 4 Ca -0.02 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.16 3ceu s ILE 4 Cb -0.20 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3ceu s ILE 4 CO -0.01 0.53 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 3ceu s VAL 5 N -0.56 3.19 -0.17 2.92 1.01 -0.92 -1.35 120.40 124.53 3ceu s VAL 5 Ca 0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3ceu s VAL 5 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3ceu s VAL 5 CO 0.07 0.54 -0.00 -0.69 0.00 0.00 0.00 175.10 175.01 3ceu s VAL 6 N 0.11 4.22 1.03 2.92 1.01 -0.15 -1.18 120.40 128.35 3ceu s VAL 6 Ca -0.05 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3ceu s VAL 6 Cb -0.15 -2.87 0.21 0.00 0.00 0.00 0.00 36.38 33.57 3ceu s VAL 6 CO 0.04 0.48 1.07 0.42 0.00 0.00 0.00 175.10 177.12 3ceu s THR 7 N 0.37 2.20 0.77 3.92 -4.23 -0.81 -4.53 115.64 113.33 3ceu s THR 7 Ca -0.02 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.45 3ceu s THR 7 Cb -0.14 -2.33 0.05 0.00 1.34 0.00 0.00 72.50 71.43 3ceu s THR 7 CO 0.02 -0.08 1.08 0.42 -0.54 0.00 0.00 174.62 175.52 3ceu s THR 8 N -2.72 3.43 0.42 3.99 -4.23 -1.26 -4.68 115.64 110.58 3ceu s THR 8 Ca 0.66 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.72 3ceu s THR 8 Cb -0.21 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.77 3ceu s THR 8 CO 0.60 -0.61 2.04 -0.65 -0.54 0.00 0.00 174.62 175.47 3ceu h PRO 9 N -1.03 0.40 -5.78 3.99 0.11 -1.96 -3.42 132.00 124.31 3ceu h PRO 9 Ca -0.45 -0.04 -0.62 0.00 0.11 0.00 0.00 66.00 65.00 3ceu h PRO 9 Cb 1.24 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 3ceu h PRO 9 CO 0.55 0.31 -0.62 0.95 -0.21 0.00 0.00 178.00 178.98 3ceu s THR 10 N -5.28 2.12 0.36 -1.15 -4.23 -1.26 -4.24 115.64 101.95 3ceu s THR 10 Ca -0.07 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 3ceu s THR 10 Cb 0.17 -2.87 -0.07 0.00 1.34 0.00 0.00 72.50 71.07 3ceu s THR 10 CO 0.72 -0.08 0.73 -0.36 -0.54 0.00 0.00 174.62 175.09 3ceu s PHE 11 N -2.66 3.44 -0.28 3.99 0.08 -1.26 -5.09 117.98 116.20 3ceu s PHE 11 Ca 0.34 1.04 -0.21 0.00 0.12 0.00 0.00 56.93 58.23 3ceu s PHE 11 Cb 0.07 -2.42 0.11 0.00 -0.57 0.00 0.00 43.02 40.20 3ceu s PHE 11 CO 0.18 -0.00 0.87 -0.59 -0.10 0.00 0.00 175.22 175.57 3ceu s PHE 12 N -2.21 -0.71 0.68 0.36 -0.71 -1.26 -5.12 117.98 109.02 3ceu s PHE 12 Ca 0.51 1.56 -0.17 0.00 -1.04 0.00 0.00 56.93 57.79 3ceu s PHE 12 Cb -0.10 0.40 -0.07 0.00 -1.21 0.00 0.00 43.02 42.04 3ceu s PHE 12 CO 0.27 -0.35 0.39 1.33 -1.34 0.00 0.00 175.22 175.52 3ceu n VAL 13 N 3.19 1.60 0.00 -2.49 0.24 -1.26 -1.53 118.33 118.07 3ceu n VAL 13 Ca -0.16 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 3ceu n VAL 13 Cb 0.57 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 3ceu n VAL 13 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3ceu n GLU 14 N -0.18 0.00 -0.32 7.34 4.07 -1.26 -4.80 120.64 125.49 3ceu n GLU 14 Ca 0.09 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.33 3ceu n GLU 14 Cb 0.49 -2.05 0.37 0.00 -0.06 0.00 0.00 31.44 30.19 3ceu n GLU 14 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3ceu h GLU 15 N 0.98 0.67 -0.60 5.31 4.81 -1.72 0.16 114.58 124.18 3ceu h GLU 15 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3ceu h GLU 15 Cb 0.00 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3ceu h GLU 15 CO 0.00 0.44 0.31 0.38 -0.73 0.00 0.00 179.01 179.41 3ceu h ASP 16 N 0.69 0.75 -0.35 1.04 2.03 -1.87 -0.16 116.42 118.54 3ceu h ASP 16 Ca 0.53 -0.07 -0.07 0.00 -0.73 0.00 0.00 57.03 56.69 3ceu h ASP 16 Cb 0.91 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 3ceu h ASP 16 CO -0.29 0.63 -0.04 0.11 -1.03 0.00 0.00 179.24 178.62 3ceu h LYS 17 N 0.84 0.65 -0.41 4.15 6.56 -1.11 -0.43 116.57 126.83 3ceu h LYS 17 Ca 0.21 -0.23 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 3ceu h LYS 17 Cb 0.06 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 3ceu h LYS 17 CO -0.03 0.79 0.02 0.82 -2.06 0.00 0.00 179.45 178.98 3ceu h ILE 18 N 0.45 1.26 -0.87 1.86 2.04 -0.94 -0.08 117.51 121.23 3ceu h ILE 18 Ca 0.10 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3ceu h ILE 18 Cb 0.52 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3ceu h ILE 18 CO 0.03 0.33 0.58 0.40 0.00 0.00 0.00 178.15 179.49 3ceu h ILE 19 N 0.54 1.22 -0.44 -0.67 2.04 -0.95 0.77 117.51 120.02 3ceu h ILE 19 Ca 0.12 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3ceu h ILE 19 Cb 0.45 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3ceu h ILE 19 CO 0.02 0.22 0.07 0.74 0.00 0.00 0.00 178.15 179.19 3ceu h THR 20 N 1.18 1.25 -0.84 -0.27 2.02 -0.79 -2.22 112.91 113.24 3ceu h THR 20 Ca 0.32 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3ceu h THR 20 Cb -0.14 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3ceu h THR 20 CO -0.07 0.31 0.43 0.00 0.37 0.00 0.00 175.52 176.57 3ceu h ALA 21 N 0.94 1.18 -0.42 6.16 0.00 -0.30 0.33 119.26 127.16 3ceu h ALA 21 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ceu h ALA 21 Cb 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ceu h ALA 21 CO 0.01 0.64 0.21 -0.07 0.00 0.00 0.00 179.25 180.04 3ceu h LEU 22 N 1.18 0.53 -0.86 0.00 3.38 -0.63 -1.28 115.31 117.64 3ceu h LEU 22 Ca 0.29 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3ceu h LEU 22 Cb 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3ceu h LEU 22 CO -0.04 0.49 0.36 -0.26 0.09 0.00 0.00 178.44 179.08 3ceu h PHE 23 N 0.54 1.20 -0.03 1.13 0.04 -0.92 -0.82 116.94 118.08 3ceu h PHE 23 Ca 0.14 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3ceu h PHE 23 Cb 0.09 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.87 3ceu h PHE 23 CO -0.02 0.88 0.02 0.93 -0.60 0.00 0.00 178.31 179.53 3ceu h GLU 24 N 1.17 0.00 -0.00 1.51 5.08 -0.37 0.12 114.58 122.09 3ceu h GLU 24 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3ceu h GLU 24 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3ceu h GLU 24 CO -0.03 0.00 -0.01 0.39 -1.00 0.00 0.00 179.01 178.36 3ceu n GLU 25 N -4.51 0.55 0.00 2.33 -0.58 -0.36 -4.89 120.64 113.18 3ceu n GLU 25 Ca -0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3ceu n GLU 25 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3ceu n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ceu n GLY 26 N 1.24 1.34 3.64 0.62 0.00 0.41 -5.01 105.19 107.42 3ceu n GLY 26 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ceu n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ceu s LEU 27 N 0.00 4.03 0.06 0.99 2.96 -0.96 -4.89 118.68 120.87 3ceu s LEU 27 Ca 0.00 2.34 -0.34 0.00 -0.22 0.00 0.00 54.13 55.91 3ceu s LEU 27 Cb 0.00 -3.52 -0.19 0.00 0.50 0.00 0.00 46.19 42.97 3ceu s LEU 27 CO 0.00 -1.43 1.54 0.44 -1.32 0.00 0.00 176.35 175.59 3ceu h ASP 28 N 12.43 -0.93 -3.93 3.68 3.32 -1.93 -3.45 116.42 125.62 3ceu h ASP 28 Ca -0.46 0.03 -0.33 0.00 0.02 0.00 0.00 57.03 56.29 3ceu h ASP 28 Cb 1.24 0.24 -0.28 0.00 0.22 0.00 0.00 39.33 40.74 3ceu h ASP 28 CO 0.95 -0.64 -0.76 -0.63 -1.72 0.00 0.00 179.24 176.44 3ceu s ILE 29 N -5.86 0.44 -0.06 0.35 1.01 -1.26 -4.81 121.20 111.00 3ceu s ILE 29 Ca -0.18 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.28 3ceu s ILE 29 Cb 0.03 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 3ceu s ILE 29 CO 0.59 0.12 -0.24 -0.22 0.00 0.00 0.00 174.94 175.19 3ceu s LEU 30 N -0.15 2.06 -0.31 2.97 2.96 0.01 -2.16 118.68 124.06 3ceu s LEU 30 Ca 0.02 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 3ceu s LEU 30 Cb -0.02 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.34 3ceu s LEU 30 CO -0.00 0.22 0.10 -1.00 -1.32 0.00 0.00 176.35 174.34 3ceu s HIS 31 N -0.05 3.18 -0.62 5.38 3.76 -0.33 -0.45 115.29 126.16 3ceu s HIS 31 Ca -0.06 -1.06 -0.24 0.00 -0.15 0.00 0.00 55.06 53.55 3ceu s HIS 31 Cb -0.14 -2.27 0.05 0.00 1.11 0.00 0.00 32.58 31.33 3ceu s HIS 31 CO 0.04 -0.61 0.98 -1.17 -0.85 0.00 0.00 174.74 173.14 3ceu s LEU 32 N 1.49 4.15 -0.26 0.89 2.96 0.20 -1.91 118.68 126.19 3ceu s LEU 32 Ca 0.02 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.28 3ceu s LEU 32 Cb -0.18 -2.61 0.06 0.00 0.50 0.00 0.00 46.19 43.97 3ceu s LEU 32 CO 0.03 -1.38 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.00 3ceu s ARG 33 N 4.16 1.93 -0.43 1.98 3.52 -1.26 -1.09 118.95 127.76 3ceu s ARG 33 Ca 0.27 -1.28 0.07 0.00 -0.13 0.00 0.00 55.73 54.67 3ceu s ARG 33 Cb -0.14 -2.80 0.24 0.00 -1.56 0.00 0.00 34.95 30.69 3ceu s ARG 33 CO 0.14 -0.62 0.54 1.63 -0.81 0.00 0.00 175.30 176.18 3ceu n LYS 34 N 4.50 0.94 -0.88 5.12 4.76 -1.26 -4.20 118.16 127.14 3ceu n LYS 34 Ca -0.11 -3.44 -0.34 0.00 -2.87 0.00 0.00 58.31 51.55 3ceu n LYS 34 Cb 0.43 -1.40 0.10 0.00 -1.84 0.00 0.00 35.03 32.31 3ceu n LYS 34 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3ceu n PRO 35 N 1.43 -0.18 -3.93 1.97 -0.02 -1.26 -3.47 135.00 129.54 3ceu n PRO 35 Ca 0.23 -0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.39 3ceu n PRO 35 Cb 0.51 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 3ceu n PRO 35 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ceu n GLU 36 N -0.49 -0.61 -4.04 -0.52 4.71 -1.26 -4.93 120.64 113.51 3ceu n GLU 36 Ca 0.05 -0.05 -0.12 0.00 -0.01 0.00 0.00 57.16 57.02 3ceu n GLU 36 Cb 0.54 -1.85 -0.12 0.00 -1.01 0.00 0.00 31.44 29.00 3ceu n GLU 36 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 3ceu s THR 37 N -3.96 0.34 0.06 2.62 -1.32 -1.23 -5.11 115.64 107.04 3ceu s THR 37 Ca 0.24 -0.76 -0.32 0.00 -1.21 0.00 0.00 61.69 59.64 3ceu s THR 37 Cb -0.13 -0.40 -0.11 0.00 -1.51 0.00 0.00 72.50 70.35 3ceu s THR 37 CO 0.71 -0.28 1.87 -2.65 -2.21 0.00 0.00 174.62 172.05 3ceu n PRO 38 N 1.95 2.65 0.00 7.08 -0.02 -1.26 -4.96 135.00 140.44 3ceu n PRO 38 Ca -0.20 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3ceu n PRO 38 Cb 0.56 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3ceu n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ceu n ALA 39 N 6.19 0.18 0.00 3.55 0.00 -1.26 -3.79 120.51 125.37 3ceu n ALA 39 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3ceu n ALA 39 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3ceu n ALA 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ceu n TYR 41 N 0.89 0.00 -0.01 0.00 4.01 -1.26 -1.71 117.16 119.08 3ceu n TYR 41 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3ceu n TYR 41 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 3ceu n TYR 41 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3ceu h SER 42 N 0.00 0.86 -0.50 7.72 0.02 -1.95 -2.34 113.55 117.35 3ceu h SER 42 Ca 0.00 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.39 3ceu h SER 42 Cb 0.00 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3ceu h SER 42 CO 0.00 1.33 0.25 -0.33 -1.14 0.00 0.00 176.83 176.94 3ceu h GLU 43 N 0.51 0.71 0.31 3.45 5.08 -1.66 -0.71 114.58 122.26 3ceu h GLU 43 Ca -0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3ceu h GLU 43 Cb 1.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ceu h GLU 43 CO 0.15 0.59 -0.15 0.00 -1.00 0.00 0.00 179.01 178.60 3ceu h ARG 44 N 0.66 -0.40 -0.03 2.33 3.08 -1.84 -0.69 114.38 117.50 3ceu h ARG 44 Ca 0.17 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.28 3ceu h ARG 44 Cb 0.11 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 3ceu h ARG 44 CO -0.02 -0.20 -0.39 1.25 -1.07 0.00 0.00 179.97 179.54 3ceu h LEU 45 N -0.51 -1.19 -1.22 3.04 5.85 -1.25 -0.12 115.31 119.91 3ceu h LEU 45 Ca -0.04 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.92 3ceu h LEU 45 Cb 0.38 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 3ceu h LEU 45 CO 0.07 -0.43 0.57 -0.07 -0.34 0.00 0.00 178.44 178.23 3ceu h LEU 46 N -0.53 0.79 -1.27 2.25 3.38 -1.09 0.10 115.31 118.95 3ceu h LEU 46 Ca 0.06 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3ceu h LEU 46 Cb 0.62 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3ceu h LEU 46 CO -0.32 0.47 -0.28 0.74 0.09 0.00 0.00 178.44 179.15 3ceu h THR 47 N 0.88 1.23 -0.18 0.22 2.02 -0.23 -2.91 112.91 113.94 3ceu h THR 47 Ca 0.40 -1.10 -0.18 0.00 0.77 0.00 0.00 66.41 66.31 3ceu h THR 47 Cb 0.38 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3ceu h THR 47 CO -0.17 0.33 -0.60 -0.07 0.37 0.00 0.00 175.52 175.38 3ceu h LEU 48 N 0.13 0.69 -9.59 2.58 4.07 0.10 -3.44 115.31 109.86 3ceu h LEU 48 Ca 0.02 -0.39 -0.54 0.00 0.08 0.00 0.00 57.88 57.05 3ceu h LEU 48 Cb 0.56 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 3ceu h LEU 48 CO 0.04 1.13 0.17 0.27 -1.08 0.00 0.00 178.44 178.98 3ceu s ILE 49 N -3.94 4.62 0.06 1.22 -4.36 -0.78 -4.99 121.20 113.04 3ceu s ILE 49 Ca -0.08 1.66 -0.38 0.00 -0.26 0.00 0.00 60.65 61.60 3ceu s ILE 49 Cb 0.11 -4.13 -0.18 0.00 1.25 0.00 0.00 42.46 39.51 3ceu s ILE 49 CO 0.86 0.41 1.23 -2.65 0.24 0.00 0.00 174.94 175.03 3ceu n PRO 50 N 2.46 0.76 0.24 0.37 -0.02 -1.26 -4.86 135.00 132.69 3ceu n PRO 50 Ca -0.03 0.27 0.18 0.00 -2.02 0.00 0.00 63.50 61.90 3ceu n PRO 50 Cb 0.50 -1.86 0.87 0.00 -0.02 0.00 0.00 33.50 32.99 3ceu n PRO 50 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ceu h GLU 51 N 3.95 0.00 0.00 -0.52 4.39 -1.92 -0.58 114.58 119.90 3ceu h GLU 51 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3ceu h GLU 51 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 3ceu h GLU 51 CO 0.73 0.00 0.00 1.57 -1.16 0.00 0.00 179.01 180.15 3ceu h LYS 52 N 0.00 0.00 -0.01 2.33 2.10 -2.00 -2.49 116.57 116.49 3ceu h LYS 52 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3ceu h LYS 52 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3ceu h LYS 52 CO -0.00 0.00 -0.59 0.66 -2.00 0.00 0.00 179.45 177.52 3ceu n TYR 53 N -2.61 0.00 -0.20 0.07 4.01 -0.23 -4.36 117.16 113.84 3ceu n TYR 53 Ca 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ceu n TYR 53 Cb 0.23 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.49 3ceu n TYR 53 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ceu h HIS 54 N 1.91 0.93 0.00 -0.72 3.86 -1.50 -0.46 115.15 119.18 3ceu h HIS 54 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ceu h HIS 54 Cb 0.70 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3ceu h HIS 54 CO 0.00 0.63 0.00 2.89 0.86 0.00 0.00 177.93 182.31 3ceu n ARG 55 N -4.38 0.09 -0.37 2.45 1.85 -1.21 -1.49 116.66 113.59 3ceu n ARG 55 Ca 0.07 0.20 0.08 0.00 -1.00 0.00 0.00 57.85 57.20 3ceu n ARG 55 Cb 0.08 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.22 3ceu n ARG 55 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ceu n ARG 56 N -1.24 2.76 -4.85 2.89 1.74 -0.18 -4.89 116.66 112.90 3ceu n ARG 56 Ca 0.03 -2.70 -0.33 0.00 -0.77 0.00 0.00 57.85 54.08 3ceu n ARG 56 Cb 0.04 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.62 3ceu n ARG 56 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ceu s ILE 57 N -2.58 3.12 -0.12 0.55 1.01 -0.56 -0.81 121.20 121.81 3ceu s ILE 57 Ca 0.38 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3ceu s ILE 57 Cb 0.30 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.54 3ceu s ILE 57 CO 0.09 0.58 -0.19 -0.69 0.00 0.00 0.00 174.94 174.73 3ceu s VAL 58 N -0.54 1.76 -0.11 2.92 1.01 0.41 -2.82 120.40 123.02 3ceu s VAL 58 Ca 0.08 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3ceu s VAL 58 Cb -0.12 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3ceu s VAL 58 CO 0.01 0.49 0.26 0.28 0.00 0.00 0.00 175.10 176.15 3ceu s THR 59 N 0.85 5.30 -0.75 3.92 -1.32 -0.61 0.61 115.64 123.65 3ceu s THR 59 Ca -0.08 0.50 0.24 0.00 -1.21 0.00 0.00 61.69 61.13 3ceu s THR 59 Cb -0.15 -3.57 -0.06 0.00 -1.51 0.00 0.00 72.50 67.21 3ceu s THR 59 CO -0.01 0.51 1.18 1.41 -2.21 0.00 0.00 174.62 175.50 3ceu n HIS 60 N 2.67 0.24 -4.18 9.09 8.25 -0.25 -0.93 115.22 130.10 3ceu n HIS 60 Ca -0.15 0.07 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 3ceu n HIS 60 Cb 0.53 -0.41 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 3ceu n HIS 60 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3ceu s GLU 61 N -3.13 1.07 -0.82 -0.41 8.01 -1.26 -4.73 118.70 117.44 3ceu s GLU 61 Ca 0.06 -1.54 -0.00 0.00 0.01 0.00 0.00 54.97 53.50 3ceu s GLU 61 Cb 0.15 0.20 0.00 0.00 -4.31 0.00 0.00 34.13 30.17 3ceu s GLU 61 CO 0.76 -0.31 0.62 0.72 0.01 0.00 0.00 175.26 177.06 3ceu n HIS 62 N -0.19 -2.18 0.33 1.61 8.25 -1.26 -4.80 115.22 116.97 3ceu n HIS 62 Ca -0.02 0.88 0.21 0.00 -0.26 0.00 0.00 57.72 58.52 3ceu n HIS 62 Cb 0.65 -2.98 1.10 0.00 1.12 0.00 0.00 29.99 29.87 3ceu n HIS 62 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3ceu h PHE 63 N -0.19 0.00 0.00 4.41 0.05 -1.92 -1.85 116.94 117.44 3ceu h PHE 63 Ca -0.54 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.25 3ceu h PHE 63 Cb 1.34 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.29 3ceu h PHE 63 CO 0.23 0.00 -0.00 0.10 -0.18 0.00 0.00 178.31 178.45 3ceu h TYR 64 N 0.00 0.00 0.00 -0.55 -0.00 -2.02 -1.20 116.97 113.20 3ceu h TYR 64 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 3ceu h TYR 64 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.91 3ceu h TYR 64 CO 0.00 0.00 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.03 3ceu h LEU 65 N 0.00 0.00 0.38 0.10 3.38 -1.65 -2.23 115.31 115.29 3ceu h LEU 65 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ceu h LEU 65 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ceu h LEU 65 CO 0.00 0.06 -0.31 0.50 0.09 0.00 0.00 178.44 178.79 3ceu h LYS 66 N 0.00 -0.67 0.02 1.13 3.11 -1.42 -0.11 116.57 118.64 3ceu h LYS 66 Ca -0.00 0.05 -0.21 0.00 -2.81 0.00 0.00 60.65 57.68 3ceu h LYS 66 Cb 0.17 0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 3ceu h LYS 66 CO 0.01 -0.44 -0.96 0.93 -2.81 0.00 0.00 179.45 176.17 3ceu h GLU 67 N -0.69 0.08 0.00 1.90 5.08 -1.73 0.13 114.58 119.35 3ceu h GLU 67 Ca -0.03 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3ceu h GLU 67 Cb 0.60 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3ceu h GLU 67 CO -0.01 0.98 -0.34 1.49 -1.00 0.00 0.00 179.01 180.12 3ceu h GLU 68 N 0.03 0.00 0.00 2.33 4.57 -1.31 -3.21 114.58 117.00 3ceu h GLU 68 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3ceu h GLU 68 Cb 1.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 3ceu h GLU 68 CO 0.14 0.34 0.00 1.19 -1.18 0.00 0.00 179.01 179.50 3ceu n PHE 69 N -4.02 0.00 -3.57 0.92 3.01 -0.06 -5.02 117.46 108.72 3ceu n PHE 69 Ca -0.02 -0.48 -0.20 0.00 1.01 0.00 0.00 57.45 57.76 3ceu n PHE 69 Cb 0.39 -0.05 0.07 0.00 -0.01 0.00 0.00 39.48 39.88 3ceu n PHE 69 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3ceu n ASN 70 N -0.48 -2.72 0.00 4.37 3.02 -0.47 -4.85 115.26 114.13 3ceu n ASN 70 Ca 0.00 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3ceu n ASN 70 Cb 0.26 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 3ceu n ASN 70 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ceu n LEU 71 N -4.36 0.00 0.00 3.41 4.77 0.35 -3.29 117.00 117.88 3ceu n LEU 71 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3ceu n LEU 71 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3ceu n LEU 71 CO 0.65 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3ceu n GLY 73 N 4.72 0.74 3.28 -0.72 0.00 -1.13 -4.81 105.19 107.27 3ceu n GLY 73 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 3ceu n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ceu s ILE 74 N 0.47 1.48 -0.21 -0.61 -4.36 -0.95 -1.57 121.20 115.46 3ceu s ILE 74 Ca 0.00 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 3ceu s ILE 74 Cb 0.00 -1.75 0.05 0.00 1.25 0.00 0.00 42.46 42.01 3ceu s ILE 74 CO 0.00 -0.49 -0.10 -2.28 0.24 0.00 0.00 174.94 172.30 3ceu s HIS 75 N -2.51 2.54 0.36 1.37 2.46 -0.11 -1.93 115.29 117.48 3ceu s HIS 75 Ca 0.14 -1.71 -0.27 0.00 0.47 0.00 0.00 55.06 53.69 3ceu s HIS 75 Cb -0.03 -1.68 -0.09 0.00 -0.13 0.00 0.00 32.58 30.65 3ceu s HIS 75 CO 0.04 -0.77 1.22 -0.51 -2.47 0.00 0.00 174.74 172.25 3ceu s LEU 76 N 1.35 4.33 0.33 8.88 1.43 -0.30 -4.50 118.68 130.21 3ceu s LEU 76 Ca -0.03 2.48 -0.13 0.00 -1.03 0.00 0.00 54.13 55.43 3ceu s LEU 76 Cb -0.17 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.25 3ceu s LEU 76 CO -0.08 -0.56 0.65 0.54 0.23 0.00 0.00 176.35 177.12 3ceu s ASN 77 N -0.84 0.16 0.15 2.29 2.20 -0.46 -4.21 114.94 114.24 3ceu s ASN 77 Ca 0.52 -1.10 -0.26 0.00 -0.94 0.00 0.00 52.86 51.09 3ceu s ASN 77 Cb -0.35 0.74 0.01 0.00 -2.00 0.00 0.00 41.25 39.65 3ceu s ASN 77 CO 0.45 -1.44 1.58 0.00 -2.94 0.00 0.00 177.10 174.75 3ceu h ALA 78 N 2.07 -0.37 0.00 3.54 0.00 -1.96 0.18 119.26 122.72 3ceu h ALA 78 Ca -0.28 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ceu h ALA 78 Cb 1.25 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 3ceu h ALA 78 CO 0.36 -0.83 -0.04 0.00 0.00 0.00 0.00 179.25 178.75 3ceu h ARG 79 N -0.33 0.00 -1.80 0.00 3.08 -1.97 -3.32 114.38 110.04 3ceu h ARG 79 Ca 0.14 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.73 3ceu h ARG 79 Cb 0.58 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.31 3ceu h ARG 79 CO -0.54 0.04 -0.87 0.09 -1.07 0.00 0.00 179.97 177.62 3ceu n ASN 80 N -3.34 -1.15 0.20 7.04 3.02 -0.23 -5.02 115.26 115.77 3ceu n ASN 80 Ca -0.02 -2.63 0.14 0.00 -0.03 0.00 0.00 54.58 52.04 3ceu n ASN 80 Cb 0.17 0.10 0.41 0.00 -0.61 0.00 0.00 39.78 39.85 3ceu n ASN 80 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3ceu h PRO 81 N 5.00 0.00 -5.77 3.52 0.13 -0.84 -1.23 132.00 132.81 3ceu h PRO 81 Ca 0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.75 3ceu h PRO 81 Cb 0.95 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.83 3ceu h PRO 81 CO 0.32 0.00 -0.82 -1.54 -0.23 0.00 0.00 178.00 175.72 3ceu s SER 82 N -5.47 2.14 0.42 1.44 1.04 -1.26 -4.74 113.70 107.27 3ceu s SER 82 Ca 0.06 -0.50 -0.23 0.00 0.48 0.00 0.00 55.95 55.76 3ceu s SER 82 Cb 0.08 -0.16 -0.09 0.00 0.10 0.00 0.00 66.02 65.95 3ceu s SER 82 CO 0.58 0.11 1.04 -1.83 0.98 0.00 0.00 173.24 174.12 3ceu s GLU 83 N -1.18 4.07 0.43 4.02 -1.05 -1.26 -4.97 118.70 118.76 3ceu s GLU 83 Ca 0.05 1.45 -0.23 0.00 -0.15 0.00 0.00 54.97 56.10 3ceu s GLU 83 Cb -0.08 -2.40 -0.11 0.00 -0.44 0.00 0.00 34.13 31.09 3ceu s GLU 83 CO 0.02 -0.22 0.71 -0.35 0.95 0.00 0.00 175.26 176.37 3ceu n PRO 84 N -0.34 0.82 -0.02 -4.83 -0.04 -1.26 -4.84 135.00 124.48 3ceu n PRO 84 Ca 0.06 0.30 -0.01 0.00 -0.04 0.00 0.00 63.50 63.81 3ceu n PRO 84 Cb 0.51 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 3ceu n PRO 84 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3ceu n HIS 85 N -0.80 -0.03 -3.14 0.54 1.44 -1.26 -1.48 115.22 110.49 3ceu n HIS 85 Ca 0.11 0.07 -0.35 0.00 -2.01 0.00 0.00 57.72 55.55 3ceu n HIS 85 Cb 0.40 -0.23 -0.03 0.00 0.12 0.00 0.00 29.99 30.25 3ceu n HIS 85 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3ceu n ASP 86 N -2.70 5.26 -4.81 4.39 -0.08 -1.26 -5.02 116.55 112.33 3ceu n ASP 86 Ca 0.00 -3.48 -0.36 0.00 -1.51 0.00 0.00 54.79 49.44 3ceu n ASP 86 Cb 0.02 -0.95 -0.07 0.00 2.34 0.00 0.00 41.12 42.45 3ceu n ASP 86 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3ceu s TYR 87 N -2.87 3.47 -0.23 -0.67 5.04 -0.55 -5.07 117.35 116.47 3ceu s TYR 87 Ca 0.37 0.42 -0.04 0.00 -2.44 0.00 0.00 57.07 55.38 3ceu s TYR 87 Cb 0.12 -1.93 0.09 0.00 0.35 0.00 0.00 41.96 40.60 3ceu s TYR 87 CO 0.02 0.62 0.16 0.00 -1.34 0.00 0.00 175.55 175.02 3ceu s ALA 88 N -0.85 0.17 0.00 3.97 0.00 -1.26 -5.00 121.76 118.79 3ceu s ALA 88 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3ceu s ALA 88 Cb -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3ceu s ALA 88 CO 0.03 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.82 3ceu n GLY 89 N 5.29 -1.45 3.67 0.00 0.00 -1.26 -5.12 105.19 106.32 3ceu n GLY 89 Ca -0.06 -1.01 -0.46 0.00 0.00 0.00 0.00 46.02 44.49 3ceu n GLY 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ceu n HIS 90 N 1.20 2.33 -3.87 1.61 -0.00 -1.26 -4.97 115.22 110.26 3ceu n HIS 90 Ca 0.00 0.15 -0.12 0.00 -0.00 0.00 0.00 57.72 57.76 3ceu n HIS 90 Cb 0.00 -2.59 -0.14 0.00 -0.00 0.00 0.00 29.99 27.26 3ceu n HIS 90 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3ceu s VAL 91 N 1.93 0.00 0.29 3.57 0.11 -1.26 -2.23 120.40 122.81 3ceu s VAL 91 Ca 0.83 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.89 3ceu s VAL 91 Cb -0.66 -0.02 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3ceu s VAL 91 CO 0.41 -0.01 0.18 -0.94 -3.33 0.00 0.00 175.10 171.42 3ceu s SER 92 N -0.02 1.33 0.29 3.54 1.04 -0.81 -1.22 113.70 117.85 3ceu s SER 92 Ca -0.00 -1.57 -0.10 0.00 0.48 0.00 0.00 55.95 54.75 3ceu s SER 92 Cb -0.00 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.58 3ceu s SER 92 CO -0.00 -0.92 0.57 0.00 0.98 0.00 0.00 173.24 173.88 3ceu s SER 94 N -2.56 3.77 0.13 0.00 0.01 -1.26 -1.58 113.70 112.20 3ceu s SER 94 Ca 0.13 -0.36 0.09 0.00 1.31 0.00 0.00 55.95 57.12 3ceu s SER 94 Cb -0.03 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 3ceu s SER 94 CO 0.10 0.21 -0.14 0.00 0.41 0.00 0.00 173.24 173.82 3ceu n HIS 96 N 0.55 0.00 -3.52 0.00 8.25 -1.26 -2.74 115.22 116.49 3ceu n HIS 96 Ca -0.14 -0.78 -0.11 0.00 -0.26 0.00 0.00 57.72 56.43 3ceu n HIS 96 Cb 0.53 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 3ceu n HIS 96 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3ceu s SER 97 N -2.43 -0.45 0.25 0.41 1.04 -1.26 -4.81 113.70 106.45 3ceu s SER 97 Ca 0.25 0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 3ceu s SER 97 Cb 0.21 0.41 0.39 0.00 0.10 0.00 0.00 66.02 67.13 3ceu s SER 97 CO 0.02 -0.56 1.85 0.58 0.98 0.00 0.00 173.24 176.11 3ceu h VAL 98 N 2.38 1.03 -0.39 5.02 2.07 -1.96 -1.13 116.25 123.27 3ceu h VAL 98 Ca -0.23 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3ceu h VAL 98 Cb 1.20 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3ceu h VAL 98 CO 0.33 0.19 0.25 -0.08 0.02 0.00 0.00 177.57 178.28 3ceu h GLU 99 N 1.02 0.50 -0.50 1.57 4.57 -2.00 -1.56 114.58 118.18 3ceu h GLU 99 Ca 0.41 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 3ceu h GLU 99 Cb 0.23 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 3ceu h GLU 99 CO -0.19 0.33 0.31 0.93 -1.18 0.00 0.00 179.01 179.21 3ceu h GLU 100 N 0.51 0.67 -0.74 1.92 5.08 -1.63 -2.31 114.58 118.09 3ceu h GLU 100 Ca 0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3ceu h GLU 100 Cb -0.05 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 3ceu h GLU 100 CO -0.04 0.47 0.43 0.28 -1.00 0.00 0.00 179.01 179.15 3ceu h VAL 101 N 0.67 1.21 -0.51 3.13 2.07 -1.12 -2.76 116.25 118.95 3ceu h VAL 101 Ca 0.18 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3ceu h VAL 101 Cb -0.04 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 3ceu h VAL 101 CO -0.04 0.23 0.24 0.50 0.02 0.00 0.00 177.57 178.52 3ceu h LYS 102 N 1.01 0.45 -0.99 1.57 3.64 -0.75 -1.91 116.57 119.59 3ceu h LYS 102 Ca 0.26 -0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 59.16 3ceu h LYS 102 Cb -0.01 -0.10 -0.27 0.00 -0.41 0.00 0.00 32.23 31.44 3ceu h LYS 102 CO -0.05 0.30 0.57 0.09 -2.27 0.00 0.00 179.45 178.10 3ceu n ASN 103 N -4.91 3.74 0.00 4.20 3.02 -0.99 -4.53 115.26 115.79 3ceu n ASN 103 Ca 0.05 -3.43 0.00 0.00 -0.03 0.00 0.00 54.58 51.17 3ceu n ASN 103 Cb 0.15 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3ceu n ASN 103 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3ceu n ARG 104 N -0.93 0.00 -0.33 3.52 0.63 -1.02 -4.92 116.66 113.61 3ceu n ARG 104 Ca 0.53 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.58 3ceu n ARG 104 Cb 1.55 -0.34 0.30 0.00 0.45 0.00 0.00 32.46 34.42 3ceu n ARG 104 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 3ceu h LYS 105 N 0.00 0.63 0.00 -0.14 2.10 -1.57 -0.82 116.57 116.76 3ceu h LYS 105 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3ceu h LYS 105 Cb 0.00 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.19 3ceu h LYS 105 CO 0.00 0.41 0.00 -2.39 -2.00 0.00 0.00 179.45 175.47 3ceu n HIS 106 N -4.85 0.59 1.24 0.07 1.44 -1.26 -1.43 115.22 111.02 3ceu n HIS 106 Ca 0.22 0.29 0.13 0.00 -2.01 0.00 0.00 57.72 56.34 3ceu n HIS 106 Cb 0.56 -0.96 0.30 0.00 0.12 0.00 0.00 29.99 30.01 3ceu n HIS 106 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3ceu n PHE 107 N -2.09 0.00 -4.27 -1.40 0.99 -0.31 -4.97 117.46 105.40 3ceu n PHE 107 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.30 3ceu n PHE 107 Cb 0.08 -0.01 -0.10 0.00 -1.00 0.00 0.00 39.48 38.45 3ceu n PHE 107 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 3ceu s TYR 108 N -2.06 1.34 0.22 1.38 2.02 -0.51 -4.99 117.35 114.75 3ceu s TYR 108 Ca 0.32 -0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 3ceu s TYR 108 Cb 0.20 -0.76 0.20 0.00 -0.40 0.00 0.00 41.96 41.19 3ceu s TYR 108 CO 0.34 -0.13 1.69 -0.44 -1.57 0.00 0.00 175.55 175.44 3ceu h ASP 109 N 2.62 0.90 -5.00 2.29 3.32 -1.43 -3.46 116.42 115.65 3ceu h ASP 109 Ca -0.37 -0.25 0.15 0.00 0.02 0.00 0.00 57.03 56.58 3ceu h ASP 109 Cb 1.21 -0.24 -0.12 0.00 0.22 0.00 0.00 39.33 40.40 3ceu h ASP 109 CO 0.63 0.97 0.50 -0.72 -1.72 0.00 0.00 179.24 178.91 3ceu s TYR 110 N -4.96 -0.23 0.04 4.55 -0.85 -1.26 -4.86 117.35 109.78 3ceu s TYR 110 Ca -0.10 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.47 3ceu s TYR 110 Cb 0.14 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 43.04 3ceu s TYR 110 CO 0.84 -0.67 -0.04 0.14 -1.52 0.00 0.00 175.55 174.29 3ceu s VAL 111 N -3.18 0.30 0.00 -3.49 -7.23 -0.20 -3.59 120.40 103.01 3ceu s VAL 111 Ca 0.09 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3ceu s VAL 111 Cb -0.01 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.07 3ceu s VAL 111 CO -0.04 -0.66 0.00 0.49 -0.31 0.00 0.00 175.10 174.58 3ceu n PHE 112 N 0.95 -2.03 0.00 2.82 3.01 -0.62 -4.28 117.46 117.31 3ceu n PHE 112 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 3ceu n PHE 112 Cb 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 3ceu n PHE 112 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ceu n SER 114 N -1.77 0.00 -4.51 4.37 3.41 -1.11 0.42 113.62 114.44 3ceu n SER 114 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3ceu n SER 114 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3ceu n SER 114 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3ceu s PRO 115 N -2.25 3.29 0.17 4.33 0.02 -1.26 -4.44 135.00 134.85 3ceu s PRO 115 Ca 0.00 -0.50 -0.14 0.00 0.02 0.00 0.00 61.00 60.38 3ceu s PRO 115 Cb 0.00 -3.92 0.06 0.00 0.02 0.00 0.00 34.50 30.66 3ceu s PRO 115 CO 0.00 -0.84 1.80 0.82 -0.33 0.00 0.00 177.00 178.45 3ceu h ILE 116 N 5.74 1.16 -3.48 2.83 1.08 -1.56 -3.42 117.51 119.86 3ceu h ILE 116 Ca -0.27 -0.35 -0.66 0.00 -0.39 0.00 0.00 64.86 63.20 3ceu h ILE 116 Cb 1.11 0.45 -0.39 0.00 -3.07 0.00 0.00 36.82 34.92 3ceu h ILE 116 CO 0.82 0.16 -0.60 -0.31 -0.69 0.00 0.00 178.15 177.53 3ceu s TYR 117 N -6.00 3.36 -0.06 1.37 1.51 -0.58 -4.77 117.35 112.18 3ceu s TYR 117 Ca -0.13 -3.02 0.08 0.00 -1.01 0.00 0.00 57.07 52.99 3ceu s TYR 117 Cb 0.12 -2.93 0.13 0.00 -0.11 0.00 0.00 41.96 39.17 3ceu s TYR 117 CO 0.75 -0.81 1.03 -1.13 -1.11 0.00 0.00 175.55 174.28 3ceu n SER 127 N 3.48 1.89 -0.03 2.29 3.41 -1.26 -4.76 113.62 118.64 3ceu n SER 127 Ca 0.05 -2.42 -0.11 0.00 -0.26 0.00 0.00 58.87 56.13 3ceu n SER 127 Cb 0.36 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 3ceu n SER 127 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3ceu n THR 128 N -0.85 1.61 -4.71 6.66 5.66 -1.26 -4.88 114.28 116.51 3ceu n THR 128 Ca 0.07 -0.77 -0.33 0.00 -3.05 0.00 0.00 64.05 59.97 3ceu n THR 128 Cb 0.47 -1.11 -0.14 0.00 -1.55 0.00 0.00 70.33 68.00 3ceu n THR 128 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3ceu s TYR 129 N -2.58 2.82 0.15 1.09 2.02 -1.26 -5.11 117.35 114.49 3ceu s TYR 129 Ca -0.09 -0.67 -0.06 0.00 -0.37 0.00 0.00 57.07 55.88 3ceu s TYR 129 Cb 0.08 -1.86 -0.06 0.00 -0.40 0.00 0.00 41.96 39.71 3ceu s TYR 129 CO 0.81 -0.24 0.41 0.99 -1.57 0.00 0.00 175.55 175.95 3ceu s THR 130 N 0.43 5.12 0.50 -0.71 2.01 -1.26 -4.95 115.64 116.78 3ceu s THR 130 Ca -0.10 0.13 0.26 0.00 0.31 0.00 0.00 61.69 62.30 3ceu s THR 130 Cb -0.16 -3.62 0.43 0.00 0.01 0.00 0.00 72.50 69.16 3ceu s THR 130 CO 0.05 0.03 1.91 0.00 -0.69 0.00 0.00 174.62 175.92 3ceu h ALA 131 N 2.82 2.59 0.14 7.40 0.00 -1.99 0.16 119.26 130.38 3ceu h ALA 131 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ceu h ALA 131 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ceu h ALA 131 CO 0.72 -0.83 -0.07 0.93 0.00 0.00 0.00 179.25 180.00 3ceu h GLU 132 N 0.11 -0.18 -0.35 0.00 4.39 -1.98 0.71 114.58 117.27 3ceu h GLU 132 Ca 0.39 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.09 3ceu h GLU 132 Cb 1.39 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.06 3ceu h GLU 132 CO -0.05 -0.08 0.15 0.93 -1.16 0.00 0.00 179.01 178.80 3ceu h GLU 133 N -0.24 0.52 0.78 2.33 5.08 -1.41 -0.03 114.58 121.61 3ceu h GLU 133 Ca -0.02 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3ceu h GLU 133 Cb 0.19 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ceu h GLU 133 CO 0.03 0.51 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.00 3ceu h LEU 134 N 0.42 -1.23 -1.02 1.33 4.07 -1.11 0.34 115.31 118.13 3ceu h LEU 134 Ca 0.12 0.07 0.16 0.00 0.08 0.00 0.00 57.88 58.31 3ceu h LEU 134 Cb 0.18 0.36 -0.10 0.00 1.08 0.00 0.00 40.66 42.18 3ceu h LEU 134 CO -0.01 -0.74 0.62 0.03 -1.08 0.00 0.00 178.44 177.26 3ceu h ARG 135 N -1.18 0.83 -0.58 1.13 2.47 -0.84 0.16 114.38 116.36 3ceu h ARG 135 Ca -0.10 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.49 3ceu h ARG 135 Cb 0.95 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 3ceu h ARG 135 CO 0.10 0.55 0.07 1.49 0.56 0.00 0.00 179.97 182.74 3ceu h GLU 136 N 0.86 0.98 0.00 0.04 4.81 -0.52 -1.75 114.58 119.00 3ceu h GLU 136 Ca 0.54 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3ceu h GLU 136 Cb 0.73 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3ceu h GLU 136 CO -0.33 0.94 -0.31 0.00 -0.73 0.00 0.00 179.01 178.59 3ceu h ALA 137 N 1.00 1.47 0.33 2.92 0.00 0.20 -2.21 119.26 122.98 3ceu h ALA 137 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ceu h ALA 137 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ceu h ALA 137 CO 0.02 0.39 -0.16 0.37 0.00 0.00 0.00 179.25 179.86 3ceu h GLN 138 N 0.00 -0.43 -0.89 0.00 4.15 -0.35 -0.04 115.11 117.55 3ceu h GLN 138 Ca -0.00 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.58 3ceu h GLN 138 Cb 0.55 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.25 3ceu h GLN 138 CO 0.04 -0.10 0.50 1.57 -1.93 0.00 0.00 178.83 178.91 3ceu h LYS 139 N -0.86 0.73 0.00 1.69 2.10 -1.18 0.45 116.57 119.50 3ceu h LYS 139 Ca -0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 3ceu h LYS 139 Cb 0.53 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3ceu h LYS 139 CO 0.08 0.48 0.00 0.00 -2.00 0.00 0.00 179.45 178.00 3ceu n ALA 140 N -2.39 2.14 -1.18 0.07 0.00 -0.85 -4.82 120.51 113.48 3ceu n ALA 140 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 3ceu n ALA 140 Cb 0.40 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 3ceu n ALA 140 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ceu n LYS 141 N -0.87 -1.37 -0.07 0.00 4.76 0.16 -4.84 118.16 115.93 3ceu n LYS 141 Ca 0.10 0.64 -0.15 0.00 -2.87 0.00 0.00 58.31 56.03 3ceu n LYS 141 Cb 0.04 -4.80 -0.05 0.00 -1.84 0.00 0.00 35.03 28.39 3ceu n LYS 141 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3ceu h ILE 142 N 0.00 1.30 -3.53 -0.18 2.04 -1.19 -3.38 117.51 112.57 3ceu h ILE 142 Ca -0.12 -1.68 -0.70 0.00 1.00 0.00 0.00 64.86 63.36 3ceu h ILE 142 Cb 0.87 1.75 -0.19 0.00 -0.74 0.00 0.00 36.82 38.51 3ceu h ILE 142 CO 0.18 0.53 -0.22 -0.51 0.00 0.00 0.00 178.15 178.14 3ceu s ILE 143 N -4.09 5.10 0.00 -0.67 -1.16 -0.96 -4.84 121.20 114.58 3ceu s ILE 143 Ca -0.12 -0.37 0.00 0.00 -0.51 0.00 0.00 60.65 59.65 3ceu s ILE 143 Cb 0.09 -4.04 0.00 0.00 0.61 0.00 0.00 42.46 39.12 3ceu s ILE 143 CO 0.86 -0.42 0.00 -0.90 -2.81 0.00 0.00 174.94 171.67 3ceu n ASP 144 N 5.58 0.23 0.00 4.50 3.85 -1.26 -4.66 116.55 124.80 3ceu n ASP 144 Ca -0.07 0.00 0.06 0.00 -0.71 0.00 0.00 54.79 54.07 3ceu n ASP 144 Cb 0.47 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.52 3ceu n ASP 144 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3ceu n SER 145 N 0.00 0.01 -0.88 -1.12 3.41 -1.26 -1.26 113.62 112.53 3ceu n SER 145 Ca 0.00 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 3ceu n SER 145 Cb 0.00 -0.51 0.25 0.00 -0.26 0.00 0.00 64.21 63.69 3ceu n SER 145 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ceu n LYS 146 N -1.51 2.18 -1.84 4.33 5.02 -1.26 -4.17 118.16 120.90 3ceu n LYS 146 Ca 0.03 -1.75 -0.01 0.00 -2.02 0.00 0.00 58.31 54.56 3ceu n LYS 146 Cb 0.15 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3ceu n LYS 146 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3ceu n VAL 147 N 1.04 0.00 -4.14 -0.18 3.14 -0.89 -1.03 118.33 116.27 3ceu n VAL 147 Ca 0.17 -0.05 -0.19 0.00 -2.96 0.00 0.00 64.34 61.31 3ceu n VAL 147 Cb 0.52 -0.20 -0.16 0.00 -1.06 0.00 0.00 33.84 32.94 3ceu n VAL 147 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ceu s ALA 149 N -2.02 0.57 -0.01 1.55 0.00 0.14 -1.45 121.76 120.55 3ceu s ALA 149 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.94 3ceu s ALA 149 Cb -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 3ceu s ALA 149 CO 0.00 0.01 -0.06 -1.17 0.00 0.00 0.00 175.76 174.55 3ceu s LEU 150 N 0.73 1.96 0.00 0.00 2.96 -1.26 -0.09 118.68 122.97 3ceu s LEU 150 Ca -0.09 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3ceu s LEU 150 Cb -0.12 -0.31 0.00 0.00 0.50 0.00 0.00 46.19 46.26 3ceu s LEU 150 CO -0.00 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 3ceu n GLY 151 N 3.02 2.02 3.20 7.98 0.00 -1.26 -2.21 105.19 117.94 3ceu n GLY 151 Ca -0.14 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 3ceu n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ceu n GLY 152 N 0.46 -0.39 3.85 -0.02 0.00 -1.26 -1.53 105.19 106.29 3ceu n GLY 152 Ca 0.00 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3ceu n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ceu s ILE 153 N -3.22 5.09 0.16 -0.61 1.01 -1.26 -4.72 121.20 117.65 3ceu s ILE 153 Ca 0.43 0.67 -0.05 0.00 0.00 0.00 0.00 60.65 61.70 3ceu s ILE 153 Cb -0.19 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3ceu s ILE 153 CO 0.54 0.50 0.31 -0.46 0.00 0.00 0.00 174.94 175.83 3ceu n ASN 154 N 1.58 -0.89 0.25 3.58 0.23 -1.26 -4.80 115.26 113.94 3ceu n ASN 154 Ca -0.13 -1.66 0.09 0.00 -0.53 0.00 0.00 54.58 52.36 3ceu n ASN 154 Cb 0.53 1.50 0.64 0.00 -2.08 0.00 0.00 39.78 40.36 3ceu n ASN 154 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3ceu h GLU 155 N 0.00 0.00 -0.02 -3.83 4.81 -1.98 -1.04 114.58 112.52 3ceu h GLU 155 Ca -0.13 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.88 3ceu h GLU 155 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3ceu h GLU 155 CO 0.17 0.13 -0.89 -0.44 -0.73 0.00 0.00 179.01 177.25 3ceu h ASP 156 N 0.00 0.51 -0.11 1.04 3.45 -1.99 -3.36 116.42 115.97 3ceu h ASP 156 Ca -0.00 -0.39 0.00 0.00 0.43 0.00 0.00 57.03 57.07 3ceu h ASP 156 Cb 0.26 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3ceu h ASP 156 CO 0.02 1.18 0.00 -0.46 -1.57 0.00 0.00 179.24 178.41 3ceu n ASN 157 N -3.76 2.14 -0.17 6.45 0.23 -1.12 -4.70 115.26 114.33 3ceu n ASN 157 Ca -0.06 -1.60 -0.02 0.00 -0.53 0.00 0.00 54.58 52.37 3ceu n ASN 157 Cb 0.80 -0.07 0.07 0.00 -2.08 0.00 0.00 39.78 38.51 3ceu n ASN 157 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3ceu h LEU 158 N 1.85 0.10 -2.03 -4.53 5.85 -1.34 -1.32 115.31 113.89 3ceu h LEU 158 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ceu h LEU 158 Cb 0.50 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3ceu h LEU 158 CO 0.00 0.08 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.03 3ceu h LEU 159 N 0.30 0.00 -0.12 2.25 -0.00 -1.85 -2.45 115.31 113.45 3ceu h LEU 159 Ca 0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.02 3ceu h LEU 159 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3ceu h LEU 159 CO -0.30 0.07 -0.41 -0.33 -0.00 0.00 0.00 178.44 177.47 3ceu h GLU 160 N 0.00 0.48 -0.61 1.13 5.08 -1.59 -2.76 114.58 116.31 3ceu h GLU 160 Ca -0.00 -0.36 0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3ceu h GLU 160 Cb 0.16 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 3ceu h GLU 160 CO 0.01 0.99 0.17 0.82 -1.00 0.00 0.00 179.01 180.00 3ceu h ILE 161 N 0.07 0.68 -0.68 3.13 1.08 -0.97 -1.07 117.51 119.76 3ceu h ILE 161 Ca -0.02 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 3ceu h ILE 161 Cb 1.04 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 3ceu h ILE 161 CO 0.09 0.06 0.44 0.50 -0.69 0.00 0.00 178.15 178.54 3ceu h LYS 162 N 0.31 0.85 0.00 2.37 3.64 -1.46 -1.71 116.57 120.57 3ceu h LYS 162 Ca 0.32 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3ceu h LYS 162 Cb 0.45 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ceu h LYS 162 CO -0.37 0.56 0.00 -3.47 -2.27 0.00 0.00 179.45 173.90 3ceu n ASP 163 N -4.65 0.41 -0.02 4.20 -0.08 -0.45 -0.77 116.55 115.20 3ceu n ASP 163 Ca 0.06 0.62 0.15 0.00 -1.51 0.00 0.00 54.79 54.11 3ceu n ASP 163 Cb 0.05 -0.70 0.76 0.00 2.34 0.00 0.00 41.12 43.56 3ceu n ASP 163 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ceu n PHE 164 N -1.98 0.00 -0.53 -0.67 3.72 -0.64 -4.89 117.46 112.47 3ceu n PHE 164 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3ceu n PHE 164 Cb 0.16 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 3ceu n PHE 164 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ceu n GLY 165 N 1.26 0.75 3.71 1.37 0.00 0.05 -4.76 105.19 107.56 3ceu n GLY 165 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3ceu n GLY 165 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ceu n PHE 166 N -2.25 2.27 0.43 1.61 3.72 -1.24 -4.06 117.46 117.94 3ceu n PHE 166 Ca 0.00 0.51 0.13 0.00 -0.05 0.00 0.00 57.45 58.04 3ceu n PHE 166 Cb 0.00 -2.40 0.44 0.00 -0.94 0.00 0.00 39.48 36.57 3ceu n PHE 166 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ceu h GLY 167 N 2.30 0.00 -2.07 1.37 0.00 -0.01 -3.46 103.07 101.20 3ceu h GLY 167 Ca -0.48 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.15 3ceu h GLY 167 CO 0.61 0.00 0.81 -0.32 0.00 0.00 0.00 176.54 177.64 3ceu s GLY 168 N -3.78 -0.16 -0.02 4.60 0.00 -1.23 -2.11 107.32 104.61 3ceu s GLY 168 Ca 0.06 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.96 3ceu s GLY 168 CO 0.54 3.34 -0.11 0.00 0.00 0.00 0.00 173.10 176.87 3ceu s ALA 169 N -2.20 0.95 -0.10 3.20 0.00 -0.01 0.28 121.76 123.88 3ceu s ALA 169 Ca 0.23 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 3ceu s ALA 169 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3ceu s ALA 169 CO -0.00 0.19 -0.07 0.08 0.00 0.00 0.00 175.76 175.95 3ceu s VAL 170 N 0.00 3.65 0.04 0.00 1.01 0.87 -0.41 120.40 125.56 3ceu s VAL 170 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3ceu s VAL 170 Cb -0.07 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3ceu s VAL 170 CO 0.00 0.56 -0.08 0.68 0.00 0.00 0.00 175.10 176.27 3ceu s VAL 171 N -0.37 0.55 0.00 2.92 -7.23 -0.46 -4.45 120.40 111.36 3ceu s VAL 171 Ca 0.05 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3ceu s VAL 171 Cb -0.12 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.21 3ceu s VAL 171 CO 0.02 -0.37 0.00 -0.11 -0.31 0.00 0.00 175.10 174.34 3ceu n LEU 172 N 1.49 0.00 -0.02 1.32 0.00 -1.26 -0.98 117.00 117.55 3ceu n LEU 172 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 56.01 55.87 3ceu n LEU 172 Cb 0.55 0.00 0.48 0.00 0.00 0.00 0.00 43.42 44.45 3ceu n LEU 172 CO 0.21 0.00 1.17 1.23 0.00 0.00 0.00 177.39 180.00 3ceu h GLY 173 N 0.00 0.53 1.68 -3.96 0.00 -1.96 -1.57 103.07 97.79 3ceu h GLY 173 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.20 3ceu h GLY 173 CO 0.00 0.14 0.12 -1.80 0.00 0.00 0.00 176.54 175.00 3ceu h ASP 174 N 0.44 0.00 0.00 0.19 3.58 -1.92 -0.66 116.42 118.05 3ceu h ASP 174 Ca 0.20 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.49 3ceu h ASP 174 Cb 0.25 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3ceu h ASP 174 CO -0.05 0.00 -1.38 -0.11 -2.88 0.00 0.00 179.24 174.82 3ceu n LEU 175 N -4.08 1.91 0.24 2.28 7.94 -0.66 -4.60 117.00 120.03 3ceu n LEU 175 Ca 0.00 0.41 0.11 0.00 -1.11 0.00 0.00 56.01 55.42 3ceu n LEU 175 Cb 0.24 -0.82 0.60 0.00 0.53 0.00 0.00 43.42 43.97 3ceu n LEU 175 CO 0.30 0.01 0.89 -0.50 -1.11 0.00 0.00 177.39 176.98 3ceu h TRP 176 N -1.00 0.00 0.00 1.96 4.06 -1.35 -2.37 115.95 117.24 3ceu h TRP 176 Ca -0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 3ceu h TRP 176 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3ceu h TRP 176 CO -0.21 0.18 0.00 0.09 -3.56 0.00 0.00 178.44 174.94 3ceu n ASN 177 N -3.57 0.00 0.08 -3.49 5.03 -0.26 -1.58 115.26 111.47 3ceu n ASN 177 Ca -0.01 0.22 0.13 0.00 0.87 0.00 0.00 54.58 55.79 3ceu n ASN 177 Cb 0.32 -0.34 0.41 0.00 -1.02 0.00 0.00 39.78 39.16 3ceu n ASN 177 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ceu n LYS 178 N -1.34 0.21 -4.16 3.52 4.76 -0.89 -4.75 118.16 115.52 3ceu n LYS 178 Ca 0.05 0.15 -0.24 0.00 -2.87 0.00 0.00 58.31 55.40 3ceu n LYS 178 Cb 0.10 -1.72 -0.17 0.00 -1.84 0.00 0.00 35.03 31.39 3ceu n LYS 178 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3ceu s PHE 179 N -3.09 1.20 -0.04 2.13 2.19 -0.61 -4.70 117.98 115.06 3ceu s PHE 179 Ca 0.11 -0.48 0.06 0.00 0.33 0.00 0.00 56.93 56.95 3ceu s PHE 179 Cb 0.14 -0.99 -0.02 0.00 -1.31 0.00 0.00 43.02 40.83 3ceu s PHE 179 CO 0.60 -0.34 -0.22 -0.51 1.83 0.00 0.00 175.22 176.58 3ceu s ASP 180 N 1.23 3.38 0.61 6.13 1.01 -1.26 -4.99 116.67 122.78 3ceu s ASP 180 Ca -0.05 -0.39 -0.14 0.00 0.71 0.00 0.00 52.55 52.68 3ceu s ASP 180 Cb -0.14 -0.60 -0.03 0.00 1.01 0.00 0.00 42.92 43.16 3ceu s ASP 180 CO -0.02 0.31 1.05 0.00 0.21 0.00 0.00 175.17 176.72 3ceu s ALA 181 N -0.56 2.77 0.00 5.23 0.00 -1.26 -1.87 121.76 126.08 3ceu s ALA 181 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3ceu s ALA 181 Cb -0.11 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3ceu s ALA 181 CO 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 175.76 174.91 3ceu n LEU 183 N 0.00 2.39 -4.78 0.00 4.77 -1.23 -5.01 117.00 113.14 3ceu n LEU 183 Ca 0.00 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.59 3ceu n LEU 183 Cb 0.00 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 3ceu n LEU 183 CO 0.00 0.46 0.06 -1.81 -1.33 0.00 0.00 177.39 174.77 3ceu s ASP 184 N -4.12 6.63 0.32 -1.43 1.01 -0.78 -4.97 116.67 113.33 3ceu s ASP 184 Ca -0.04 0.74 0.14 0.00 0.71 0.00 0.00 52.55 54.11 3ceu s ASP 184 Cb 0.01 -2.22 0.50 0.00 1.01 0.00 0.00 42.92 42.21 3ceu s ASP 184 CO 0.08 0.18 1.66 -0.61 0.21 0.00 0.00 175.17 176.69 3ceu h GLN 185 N 5.86 0.00 -3.97 8.23 5.75 -1.95 -3.47 115.11 125.56 3ceu h GLN 185 Ca -0.46 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 57.85 3ceu h GLN 185 Cb 1.19 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.65 3ceu h GLN 185 CO 0.69 0.51 -0.19 0.54 -2.65 0.00 0.00 178.83 177.73 3ceu s ASN 186 N -6.66 0.48 -0.28 -0.69 2.20 -1.26 -5.07 114.94 103.66 3ceu s ASN 186 Ca -0.01 -1.28 0.10 0.00 -0.94 0.00 0.00 52.86 50.74 3ceu s ASN 186 Cb 0.12 0.62 0.53 0.00 -2.00 0.00 0.00 41.25 40.52 3ceu s ASN 186 CO 0.73 -1.22 1.50 0.00 -2.94 0.00 0.00 177.10 175.17 3ceu n TYR 187 N -0.47 1.24 0.14 1.54 4.11 -1.26 -4.73 117.16 117.73 3ceu n TYR 187 Ca -0.00 -1.44 0.12 0.00 -0.00 0.00 0.00 57.90 56.58 3ceu n TYR 187 Cb 0.62 -0.49 0.64 0.00 -0.00 0.00 0.00 39.34 40.11 3ceu n TYR 187 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3ceu h LEU 188 N 1.21 0.05 -0.98 -3.48 3.38 -1.97 -2.08 115.31 111.44 3ceu h LEU 188 Ca 0.20 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 3ceu h LEU 188 Cb 1.72 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 3ceu h LEU 188 CO 0.41 0.03 -0.51 0.00 0.09 0.00 0.00 178.44 178.47 3ceu h ALA 189 N 1.88 1.15 -0.12 1.53 0.00 -1.89 -0.45 119.26 121.36 3ceu h ALA 189 Ca 0.11 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3ceu h ALA 189 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ceu h ALA 189 CO -0.01 0.63 -0.33 0.28 0.00 0.00 0.00 179.25 179.83 3ceu h VAL 190 N 0.00 1.38 -0.03 0.00 2.07 -1.66 -0.72 116.25 117.29 3ceu h VAL 190 Ca -0.01 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 3ceu h VAL 190 Cb 0.91 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3ceu h VAL 190 CO 0.07 0.48 0.01 0.40 0.02 0.00 0.00 177.57 178.55 3ceu h ILE 191 N 0.03 1.10 -0.40 4.57 1.08 -1.42 -0.76 117.51 121.70 3ceu h ILE 191 Ca -0.01 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3ceu h ILE 191 Cb 0.94 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 3ceu h ILE 191 CO 0.07 0.08 0.27 -0.33 -0.69 0.00 0.00 178.15 177.54 3ceu h GLU 192 N -0.07 0.54 -0.65 2.37 5.08 -1.10 -1.30 114.58 119.44 3ceu h GLU 192 Ca 0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3ceu h GLU 192 Cb 0.11 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3ceu h GLU 192 CO -0.00 0.36 0.43 1.25 -1.00 0.00 0.00 179.01 180.05 3ceu h HIS 193 N 0.55 0.81 -0.53 4.33 2.76 -1.01 -1.65 115.15 120.40 3ceu h HIS 193 Ca 0.15 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 3ceu h HIS 193 Cb -0.05 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 3ceu h HIS 193 CO -0.05 0.50 0.07 0.35 -1.30 0.00 0.00 177.93 177.51 3ceu h PHE 194 N 0.87 0.95 -0.78 5.26 3.04 -0.10 -1.50 116.94 124.68 3ceu h PHE 194 Ca 0.24 -0.14 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 3ceu h PHE 194 Cb -0.08 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.13 3ceu h PHE 194 CO -0.00 0.85 0.33 0.87 -2.02 0.00 0.00 178.31 178.35 3ceu h LYS 195 N 0.78 1.15 -0.51 1.11 1.57 -0.68 0.19 116.57 120.17 3ceu h LYS 195 Ca 0.16 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3ceu h LYS 195 Cb 0.43 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3ceu h LYS 195 CO 0.01 0.92 0.32 -0.22 -0.57 0.00 0.00 179.45 179.90 3ceu h LYS 196 N 1.12 0.62 -0.41 3.15 3.64 -1.07 0.26 116.57 123.87 3ceu h LYS 196 Ca 0.26 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3ceu h LYS 196 Cb 0.18 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3ceu h LYS 196 CO -0.03 0.41 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.39 3ceu h LEU 197 N 0.63 0.80 -0.62 5.20 4.07 -0.60 -2.66 115.31 122.14 3ceu h LEU 197 Ca 0.20 -0.36 0.05 0.00 0.08 0.00 0.00 57.88 57.84 3ceu h LEU 197 Cb -0.02 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.45 3ceu h LEU 197 CO -0.07 0.98 0.34 0.50 -1.08 0.00 0.00 178.44 179.11 3ceu h LYS 198 N 0.62 0.63 -0.36 1.13 1.63 -0.08 0.23 116.57 120.38 3ceu h LYS 198 Ca 0.11 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.92 3ceu h LYS 198 Cb 0.62 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 3ceu h LYS 198 CO 0.04 0.42 0.08 -0.22 -3.45 0.00 0.00 179.45 176.32 3ceu h LYS 199 N 0.65 0.20 -0.46 1.90 3.11 -0.33 0.13 116.57 121.76 3ceu h LYS 199 Ca 0.27 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 58.01 3ceu h LYS 199 Cb 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 3ceu h LYS 199 CO -0.16 0.13 -0.04 -0.07 -2.81 0.00 0.00 179.45 176.51 3ceu h LEU 200 N 0.20 0.83 -0.34 5.20 3.38 -1.05 -2.14 115.31 121.40 3ceu h LEU 200 Ca 0.17 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3ceu h LEU 200 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3ceu h LEU 200 CO -0.21 0.96 0.15 0.00 0.09 0.00 0.00 178.44 179.42 3ceu h ALA 201 N 0.90 0.40 0.00 1.53 0.00 0.14 -2.00 119.26 120.24 3ceu h ALA 201 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ceu h ALA 201 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ceu h ALA 201 CO 0.03 -0.23 0.00 -0.44 0.00 0.00 0.00 179.25 178.61 3ceu h ASP 202 N 0.32 0.00 -0.06 0.00 3.45 -0.72 -3.38 116.42 116.04 3ceu h ASP 202 Ca 0.14 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.61 3ceu h ASP 202 Cb 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3ceu h ASP 202 CO -0.11 0.00 -0.03 -0.11 -1.57 0.00 0.00 179.24 177.41 3ceu n LEU 203 N -2.68 -0.06 -2.53 1.55 -0.00 -0.75 -4.76 117.00 107.77 3ceu n LEU 203 Ca 0.03 0.53 -0.12 0.00 -0.00 0.00 0.00 56.01 56.45 3ceu n LEU 203 Cb 0.34 -0.23 0.01 0.00 -0.00 0.00 0.00 43.42 43.54 3ceu n LEU 203 CO 0.27 -0.30 -0.10 1.21 -0.00 0.00 0.00 177.39 178.47 3ceu n GLU 204 N -2.74 -0.65 0.00 1.96 4.07 -1.26 -4.92 120.64 117.11 3ceu n GLU 204 Ca 0.00 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 3ceu n GLU 204 Cb 0.01 -0.79 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 3ceu n GLU 204 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 3ceu n HIS 205 N -0.75 0.00 -0.37 4.31 -0.00 -1.26 -5.24 115.22 111.91 3ceu n HIS 205 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 3ceu n HIS 205 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 3ceu n HIS 205 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41