#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 3.91 -0.11 -0.35 2.96 -1.26 -0.89 118.68 122.95 3ceu s LEU 3 Ca 0.00 -1.79 -0.11 0.00 -0.22 0.00 0.00 54.13 52.01 3ceu s LEU 3 Cb 0.00 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 3ceu s LEU 3 CO 0.00 -0.32 0.25 -0.63 -1.32 0.00 0.00 176.35 174.33 3ceu s ILE 4 N 1.08 5.32 -0.11 6.68 1.01 0.10 -3.89 121.20 131.39 3ceu s ILE 4 Ca 0.04 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.16 3ceu s ILE 4 Cb -0.19 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3ceu s ILE 4 CO -0.09 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.55 3ceu s VAL 5 N -0.50 2.95 -0.13 2.92 1.01 -0.91 -0.60 120.40 125.15 3ceu s VAL 5 Ca 0.17 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3ceu s VAL 5 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3ceu s VAL 5 CO 0.06 0.54 0.09 -0.69 0.00 0.00 0.00 175.10 175.10 3ceu s VAL 6 N 0.17 5.11 1.32 2.92 1.01 0.02 -0.97 120.40 129.97 3ceu s VAL 6 Ca -0.08 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 3ceu s VAL 6 Cb -0.15 -3.23 0.33 0.00 0.00 0.00 0.00 36.38 33.33 3ceu s VAL 6 CO 0.05 0.58 0.99 0.35 0.00 0.00 0.00 175.10 177.07 3ceu n THR 7 N 2.38 0.00 -3.05 3.92 -2.24 -0.49 -4.59 114.28 110.20 3ceu n THR 7 Ca -0.19 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 3ceu n THR 7 Cb 0.54 -1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 3ceu n THR 7 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ceu s THR 8 N -2.59 4.82 0.56 4.28 -4.23 -1.26 -4.75 115.64 112.47 3ceu s THR 8 Ca 0.68 0.57 0.34 0.00 -1.18 0.00 0.00 61.69 62.11 3ceu s THR 8 Cb -0.09 -3.70 0.37 0.00 1.34 0.00 0.00 72.50 70.43 3ceu s THR 8 CO 0.54 -0.38 2.25 -0.65 -0.54 0.00 0.00 174.62 175.84 3ceu h PRO 9 N 1.65 0.00 -6.31 3.99 0.11 -1.96 -3.42 132.00 126.05 3ceu h PRO 9 Ca -0.47 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 3ceu h PRO 9 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 3ceu h PRO 9 CO 0.65 0.02 -0.74 -0.08 -0.21 0.00 0.00 178.00 177.65 3ceu s THR 10 N -4.38 2.82 0.15 -1.15 -1.32 -1.26 -3.85 115.64 106.64 3ceu s THR 10 Ca -0.04 -2.10 -0.24 0.00 -1.21 0.00 0.00 61.69 58.09 3ceu s THR 10 Cb 0.14 -2.45 -0.08 0.00 -1.51 0.00 0.00 72.50 68.60 3ceu s THR 10 CO 0.51 -0.30 0.74 -0.36 -2.21 0.00 0.00 174.62 173.00 3ceu s PHE 11 N -2.20 3.89 -0.05 9.09 0.08 -1.26 -5.08 117.98 122.45 3ceu s PHE 11 Ca 0.28 1.57 -0.14 0.00 0.12 0.00 0.00 56.93 58.75 3ceu s PHE 11 Cb -0.06 -2.72 0.03 0.00 -0.57 0.00 0.00 43.02 39.69 3ceu s PHE 11 CO 0.15 0.52 0.32 -0.59 -0.10 0.00 0.00 175.22 175.53 3ceu s PHE 12 N -1.11 -0.24 0.47 0.36 -0.71 -1.26 -5.12 117.98 110.36 3ceu s PHE 12 Ca 0.35 0.47 -0.24 0.00 -1.04 0.00 0.00 56.93 56.46 3ceu s PHE 12 Cb -0.22 0.11 -0.08 0.00 -1.21 0.00 0.00 43.02 41.62 3ceu s PHE 12 CO 0.25 -0.33 1.32 1.33 -1.34 0.00 0.00 175.22 176.45 3ceu n VAL 13 N 1.73 2.96 -0.05 -2.49 0.24 -1.26 -1.91 118.33 117.55 3ceu n VAL 13 Ca -0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 3ceu n VAL 13 Cb 0.56 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 3ceu n VAL 13 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ceu n GLU 14 N -0.31 0.00 -0.34 7.34 1.02 -1.26 -4.89 120.64 122.21 3ceu n GLU 14 Ca 0.07 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.24 3ceu n GLU 14 Cb 0.42 -1.43 0.18 0.00 -0.02 0.00 0.00 31.44 30.58 3ceu n GLU 14 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3ceu h GLU 15 N 2.21 0.98 -0.52 3.49 4.81 -1.82 -0.46 114.58 123.27 3ceu h GLU 15 Ca 0.00 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3ceu h GLU 15 Cb 0.00 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 3ceu h GLU 15 CO 0.00 0.65 0.08 0.38 -0.73 0.00 0.00 179.01 179.39 3ceu h ASP 16 N 1.01 0.78 -0.25 1.04 2.03 -1.90 -0.17 116.42 118.96 3ceu h ASP 16 Ca 0.42 -0.16 -0.08 0.00 -0.73 0.00 0.00 57.03 56.49 3ceu h ASP 16 Cb 0.27 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 3ceu h ASP 16 CO -0.20 0.79 -0.15 0.11 -1.03 0.00 0.00 179.24 178.76 3ceu h LYS 17 N 0.79 0.54 -0.43 4.15 6.56 -1.66 -1.38 116.57 125.14 3ceu h LYS 17 Ca 0.17 -0.25 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 3ceu h LYS 17 Cb 0.36 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 3ceu h LYS 17 CO 0.01 0.82 0.14 0.82 -2.06 0.00 0.00 179.45 179.17 3ceu h ILE 18 N 0.26 1.22 -0.50 1.86 2.04 -0.92 -0.53 117.51 120.94 3ceu h ILE 18 Ca 0.05 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3ceu h ILE 18 Cb 0.67 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3ceu h ILE 18 CO 0.04 0.25 0.31 0.40 0.00 0.00 0.00 178.15 179.16 3ceu h ILE 19 N 0.55 1.15 -0.57 -0.67 2.04 -0.97 -1.00 117.51 118.05 3ceu h ILE 19 Ca 0.14 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3ceu h ILE 19 Cb 0.25 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3ceu h ILE 19 CO -0.01 0.15 0.33 0.74 0.00 0.00 0.00 178.15 179.37 3ceu h THR 20 N 0.68 1.18 -0.58 -0.27 2.02 -1.05 -0.59 112.91 114.29 3ceu h THR 20 Ca 0.18 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3ceu h THR 20 Cb -0.02 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3ceu h THR 20 CO -0.04 0.18 0.39 0.00 0.37 0.00 0.00 175.52 176.42 3ceu h ALA 21 N 1.16 1.61 -0.16 6.16 0.00 -0.68 0.22 119.26 127.56 3ceu h ALA 21 Ca 0.20 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3ceu h ALA 21 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3ceu h ALA 21 CO -0.04 0.36 -0.68 -0.07 0.00 0.00 0.00 179.25 178.82 3ceu h LEU 22 N 0.77 0.75 -0.18 0.00 3.38 -0.40 -2.75 115.31 116.88 3ceu h LEU 22 Ca 0.22 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3ceu h LEU 22 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3ceu h LEU 22 CO -0.05 1.23 0.05 -0.26 0.09 0.00 0.00 178.44 179.49 3ceu h PHE 23 N 0.47 0.30 -0.28 1.13 0.04 -0.23 -1.70 116.94 116.66 3ceu h PHE 23 Ca -0.02 -0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.79 3ceu h PHE 23 Cb 1.28 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 3ceu h PHE 23 CO 0.06 0.40 0.38 0.93 -0.60 0.00 0.00 178.31 179.49 3ceu h GLU 24 N 0.11 0.00 -0.65 1.51 5.08 -0.93 0.42 114.58 120.11 3ceu h GLU 24 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3ceu h GLU 24 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ceu h GLU 24 CO -0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 3ceu n GLU 25 N -3.52 3.85 -0.87 2.33 -0.58 -0.89 -4.92 120.64 116.04 3ceu n GLU 25 Ca 0.04 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.26 3ceu n GLU 25 Cb 0.52 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 0.72 0.69 3.68 0.62 0.00 0.15 -4.98 105.19 106.06 3ceu n GLY 26 Ca 0.22 -0.69 -0.47 0.00 0.00 0.00 0.00 46.02 45.09 3ceu n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ceu n LEU 27 N 0.00 3.65 0.11 0.99 7.94 -0.69 -4.89 117.00 124.11 3ceu n LEU 27 Ca 0.00 0.96 -0.04 0.00 -1.11 0.00 0.00 56.01 55.81 3ceu n LEU 27 Cb 0.10 -1.42 -0.02 0.00 0.53 0.00 0.00 43.42 42.61 3ceu n LEU 27 CO 0.00 0.02 0.47 0.44 -1.11 0.00 0.00 177.39 177.21 3ceu h ASP 28 N 9.50 -0.24 -4.43 1.96 3.32 -1.92 -3.46 116.42 121.15 3ceu h ASP 28 Ca -0.49 0.01 -0.41 0.00 0.02 0.00 0.00 57.03 56.16 3ceu h ASP 28 Cb 1.26 0.06 -0.23 0.00 0.22 0.00 0.00 39.33 40.65 3ceu h ASP 28 CO 0.95 -0.17 -0.78 -0.63 -1.72 0.00 0.00 179.24 176.89 3ceu s ILE 29 N -3.49 1.04 -0.13 0.35 1.01 -1.26 -4.83 121.20 113.89 3ceu s ILE 29 Ca -0.04 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.50 3ceu s ILE 29 Cb 0.00 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.50 3ceu s ILE 29 CO 0.13 -0.14 -0.20 -0.22 0.00 0.00 0.00 174.94 174.51 3ceu s LEU 30 N -1.44 1.98 -0.41 2.97 2.96 0.89 -2.14 118.68 123.49 3ceu s LEU 30 Ca -0.01 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 3ceu s LEU 30 Cb -0.09 -1.32 0.04 0.00 0.50 0.00 0.00 46.19 45.32 3ceu s LEU 30 CO 0.02 0.06 0.28 -1.00 -1.32 0.00 0.00 176.35 174.38 3ceu s HIS 31 N 0.87 3.26 -0.52 5.38 3.76 -0.15 0.00 115.29 127.89 3ceu s HIS 31 Ca -0.07 -0.97 -0.28 0.00 -0.15 0.00 0.00 55.06 53.59 3ceu s HIS 31 Cb -0.15 -2.71 0.03 0.00 1.11 0.00 0.00 32.58 30.86 3ceu s HIS 31 CO -0.02 -0.70 1.12 -1.17 -0.85 0.00 0.00 174.74 173.13 3ceu s LEU 32 N 1.58 3.63 -0.25 0.89 2.96 0.27 -1.40 118.68 126.37 3ceu s LEU 32 Ca 0.03 0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3ceu s LEU 32 Cb -0.21 -3.34 0.07 0.00 0.50 0.00 0.00 46.19 43.22 3ceu s LEU 32 CO 0.07 -1.31 0.01 -0.60 -1.32 0.00 0.00 176.35 173.20 3ceu s ARG 33 N 4.54 1.11 -0.56 1.98 3.52 -1.26 -0.41 118.95 127.86 3ceu s ARG 33 Ca 0.44 -0.89 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 3ceu s ARG 33 Cb -0.08 -2.34 0.17 0.00 -1.56 0.00 0.00 34.95 31.15 3ceu s ARG 33 CO 0.28 -0.72 0.44 1.63 -0.81 0.00 0.00 175.30 176.12 3ceu n LYS 34 N 4.80 1.09 -1.59 5.12 4.76 -1.26 -3.88 118.16 127.21 3ceu n LYS 34 Ca -0.08 -3.88 -0.50 0.00 -2.87 0.00 0.00 58.31 50.98 3ceu n LYS 34 Cb 0.44 -1.98 -0.05 0.00 -1.84 0.00 0.00 35.03 31.60 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 2.29 1.21 -3.70 1.97 -0.02 -1.25 -3.40 135.00 132.10 3ceu n PRO 35 Ca 0.25 0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 61.92 3ceu n PRO 35 Cb 0.41 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.18 -1.29 -3.93 -0.52 -0.58 -1.26 -5.00 120.64 110.24 3ceu n GLU 36 Ca 0.17 0.75 -0.13 0.00 -0.42 0.00 0.00 57.16 57.53 3ceu n GLU 36 Cb 0.22 -3.10 -0.14 0.00 -0.57 0.00 0.00 31.44 27.85 3ceu n GLU 36 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3ceu s THR 37 N -3.12 0.09 0.09 2.62 2.01 -1.22 -5.12 115.64 111.00 3ceu s THR 37 Ca 0.12 -0.10 -0.34 0.00 0.31 0.00 0.00 61.69 61.68 3ceu s THR 37 Cb -0.06 -0.09 -0.14 0.00 0.01 0.00 0.00 72.50 72.22 3ceu s THR 37 CO 0.88 -0.01 1.62 -2.65 -0.69 0.00 0.00 174.62 173.77 3ceu n PRO 38 N 2.96 2.03 0.00 4.92 -0.02 -1.26 -4.95 135.00 138.67 3ceu n PRO 38 Ca -0.13 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3ceu n PRO 38 Cb 0.59 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 4.01 0.43 0.00 3.55 0.00 -1.26 -3.88 120.51 123.37 3ceu n ALA 39 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3ceu n ALA 39 Cb 0.28 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.45 0.00 -0.08 0.00 4.01 -1.26 -1.82 117.16 119.46 3ceu n TYR 41 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3ceu n TYR 41 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.82 -0.51 7.72 0.02 -1.94 -2.37 113.55 117.29 3ceu h SER 42 Ca 0.00 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 60.51 3ceu h SER 42 Cb 0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3ceu h SER 42 CO 0.00 1.08 -0.06 -0.33 -1.14 0.00 0.00 176.83 176.37 3ceu h GLU 43 N 0.66 0.94 -0.22 3.45 5.08 -1.70 -1.30 114.58 121.48 3ceu h GLU 43 Ca 0.07 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3ceu h GLU 43 Cb 0.87 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3ceu h GLU 43 CO 0.08 0.99 0.10 0.00 -1.00 0.00 0.00 179.01 179.18 3ceu h ARG 44 N 0.80 0.22 0.06 2.33 3.08 -1.79 0.13 114.38 119.22 3ceu h ARG 44 Ca 0.14 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3ceu h ARG 44 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3ceu h ARG 44 CO 0.04 0.14 -0.03 1.25 -1.07 0.00 0.00 179.97 180.30 3ceu h LEU 45 N 0.22 -0.07 -1.49 3.04 6.46 -1.36 -2.76 115.31 119.35 3ceu h LEU 45 Ca 0.09 -0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 3ceu h LEU 45 Cb 0.03 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3ceu h LEU 45 CO -0.07 0.10 0.42 -0.07 -0.62 0.00 0.00 178.44 178.19 3ceu h LEU 46 N -0.24 0.55 -0.95 2.25 3.38 -1.00 -1.90 115.31 117.41 3ceu h LEU 46 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3ceu h LEU 46 Cb 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ceu h LEU 46 CO 0.01 0.36 -0.15 0.74 0.09 0.00 0.00 178.44 179.49 3ceu h THR 47 N 0.62 1.25 0.00 0.22 2.02 -0.75 -2.99 112.91 113.29 3ceu h THR 47 Ca 0.27 -1.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 3ceu h THR 47 Cb 0.28 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3ceu h THR 47 CO -0.08 0.38 -0.57 -0.07 0.37 0.00 0.00 175.52 175.54 3ceu h LEU 48 N 0.54 0.00 -9.34 2.58 4.07 -1.08 -3.44 115.31 108.65 3ceu h LEU 48 Ca 0.09 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.49 3ceu h LEU 48 Cb 0.57 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 3ceu h LEU 48 CO 0.04 0.57 0.15 0.27 -1.08 0.00 0.00 178.44 178.38 3ceu s ILE 49 N -3.47 5.01 -0.13 1.22 -4.36 -1.01 -4.98 121.20 113.48 3ceu s ILE 49 Ca -0.00 1.52 -0.42 0.00 -0.26 0.00 0.00 60.65 61.49 3ceu s ILE 49 Cb 0.11 -4.07 -0.20 0.00 1.25 0.00 0.00 42.46 39.55 3ceu s ILE 49 CO 0.74 0.21 1.24 -2.65 0.24 0.00 0.00 174.94 174.73 3ceu n PRO 50 N 3.99 0.10 -0.29 0.37 -0.02 -1.26 -4.85 135.00 133.04 3ceu n PRO 50 Ca 0.00 0.04 0.11 0.00 -2.02 0.00 0.00 63.50 61.63 3ceu n PRO 50 Cb 0.51 -1.55 0.25 0.00 -0.02 0.00 0.00 33.50 32.69 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 3.74 0.13 0.00 -0.52 5.08 -1.91 -0.32 114.58 120.78 3ceu h GLU 51 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3ceu h GLU 51 Cb 1.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3ceu h GLU 51 CO 0.75 0.09 0.17 1.57 -1.00 0.00 0.00 179.01 180.60 3ceu h LYS 52 N 0.14 0.00 -0.39 2.33 2.10 -1.99 0.27 116.57 119.03 3ceu h LYS 52 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 3ceu h LYS 52 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 3ceu h LYS 52 CO -0.70 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.41 3ceu n TYR 53 N -2.45 0.50 0.03 0.07 4.01 -0.13 -4.45 117.16 114.74 3ceu n TYR 53 Ca -0.02 -0.25 -0.04 0.00 -0.16 0.00 0.00 57.90 57.43 3ceu n TYR 53 Cb 0.21 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.42 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 4.39 0.52 0.00 -0.72 3.86 -0.55 -2.76 115.15 119.89 3ceu h HIS 54 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3ceu h HIS 54 Cb 0.97 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.32 3ceu h HIS 54 CO 0.25 0.74 0.00 2.89 0.86 0.00 0.00 177.93 182.67 3ceu n ARG 55 N -4.07 0.91 -0.00 2.45 0.00 -1.22 -2.30 116.66 112.43 3ceu n ARG 55 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3ceu n ARG 55 Cb 0.46 -1.31 0.01 0.00 -0.00 0.00 0.00 32.46 31.61 3ceu n ARG 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3ceu n ARG 56 N -0.13 0.47 -4.63 2.89 5.12 -1.04 -4.94 116.66 114.39 3ceu n ARG 56 Ca 0.00 -0.90 -0.33 0.00 -1.93 0.00 0.00 57.85 54.69 3ceu n ARG 56 Cb 0.15 -1.02 -0.13 0.00 -1.16 0.00 0.00 32.46 30.31 3ceu n ARG 56 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ceu s ILE 57 N -0.39 3.50 -0.07 0.55 1.01 -0.97 -0.08 121.20 124.75 3ceu s ILE 57 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3ceu s ILE 57 Cb 0.01 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3ceu s ILE 57 CO 0.01 0.55 -0.20 -0.69 0.00 0.00 0.00 174.94 174.60 3ceu s VAL 58 N -0.12 2.48 -0.04 2.92 1.01 0.10 -3.50 120.40 123.25 3ceu s VAL 58 Ca 0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3ceu s VAL 58 Cb -0.13 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3ceu s VAL 58 CO 0.03 0.57 -0.07 0.28 0.00 0.00 0.00 175.10 175.91 3ceu s THR 59 N -0.18 3.70 -1.84 3.92 -1.32 -1.02 0.97 115.64 119.88 3ceu s THR 59 Ca -0.02 -0.59 0.24 0.00 -1.21 0.00 0.00 61.69 60.11 3ceu s THR 59 Cb -0.14 -2.55 0.07 0.00 -1.51 0.00 0.00 72.50 68.37 3ceu s THR 59 CO 0.03 0.52 1.25 1.41 -2.21 0.00 0.00 174.62 175.62 3ceu n HIS 60 N 1.95 0.00 -4.23 9.09 8.25 0.45 -2.20 115.22 128.54 3ceu n HIS 60 Ca -0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 3ceu n HIS 60 Cb 0.53 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.54 1.11 -0.63 -0.41 8.01 -1.26 -4.68 118.70 118.30 3ceu s GLU 61 Ca 0.19 -1.55 -0.09 0.00 0.01 0.00 0.00 54.97 53.53 3ceu s GLU 61 Cb 0.18 -0.14 0.01 0.00 -4.31 0.00 0.00 34.13 29.88 3ceu s GLU 61 CO 0.58 -0.19 0.54 0.72 0.01 0.00 0.00 175.26 176.92 3ceu n HIS 62 N -0.24 -1.91 0.34 1.61 8.25 -1.26 -4.75 115.22 117.25 3ceu n HIS 62 Ca -0.05 0.79 0.22 0.00 -0.26 0.00 0.00 57.72 58.41 3ceu n HIS 62 Cb 0.64 -2.14 1.16 0.00 1.12 0.00 0.00 29.99 30.77 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 0.40 0.00 0.00 4.41 0.05 -1.91 -1.33 116.94 118.55 3ceu h PHE 63 Ca -0.55 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.23 3ceu h PHE 63 Cb 1.22 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.17 3ceu h PHE 63 CO 0.15 0.00 -0.07 0.10 -0.18 0.00 0.00 178.31 178.31 3ceu h TYR 64 N 0.00 0.00 0.00 -0.55 -0.00 -2.01 -0.82 116.97 113.59 3ceu h TYR 64 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3ceu h TYR 64 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.82 3ceu h TYR 64 CO 0.00 0.07 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.15 3ceu h LEU 65 N 0.00 0.00 -0.14 0.10 3.38 -1.55 -2.60 115.31 114.49 3ceu h LEU 65 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ceu h LEU 65 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3ceu h LEU 65 CO 0.01 0.00 -0.10 0.50 0.09 0.00 0.00 178.44 178.94 3ceu h LYS 66 N 0.00 -0.11 0.00 1.13 3.11 -1.34 -0.17 116.57 119.19 3ceu h LYS 66 Ca -0.00 0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.64 3ceu h LYS 66 Cb 0.23 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 3ceu h LYS 66 CO 0.00 -0.07 -1.29 0.93 -2.81 0.00 0.00 179.45 176.20 3ceu h GLU 67 N -0.11 0.00 -0.10 1.90 4.39 -1.74 0.26 114.58 119.18 3ceu h GLU 67 Ca 0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 3ceu h GLU 67 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3ceu h GLU 67 CO -0.21 0.54 0.06 1.49 -1.16 0.00 0.00 179.01 179.73 3ceu h GLU 68 N 0.00 0.14 -0.41 2.33 4.57 -1.26 -3.23 114.58 116.72 3ceu h GLU 68 Ca -0.15 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3ceu h GLU 68 Cb 1.74 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.30 3ceu h GLU 68 CO 0.08 0.13 0.00 1.19 -1.18 0.00 0.00 179.01 179.23 3ceu n PHE 69 N -4.99 0.91 -3.64 0.92 3.01 -0.09 -4.97 117.46 108.60 3ceu n PHE 69 Ca -0.05 -0.65 -0.24 0.00 1.01 0.00 0.00 57.45 57.52 3ceu n PHE 69 Cb 0.05 -0.18 0.07 0.00 -0.01 0.00 0.00 39.48 39.41 3ceu n PHE 69 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ceu n ASN 70 N 0.39 -5.42 0.00 4.37 5.15 -1.04 -4.84 115.26 113.86 3ceu n ASN 70 Ca 0.19 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 3ceu n ASN 70 Cb 0.71 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 3ceu n ASN 70 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3ceu n LEU 71 N -4.83 0.00 0.00 1.20 4.77 0.89 -3.46 117.00 115.58 3ceu n LEU 71 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3ceu n LEU 71 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3ceu n LEU 71 CO 0.67 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3ceu n GLY 73 N 1.96 1.73 3.31 -0.72 0.00 -1.23 -4.75 105.19 105.50 3ceu n GLY 73 Ca 0.00 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 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 1.95 1.61 -0.27 -0.61 -4.36 0.63 -2.43 121.20 117.74 3ceu s ILE 74 Ca 0.00 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.34 3ceu s ILE 74 Cb 0.00 -1.91 0.07 0.00 1.25 0.00 0.00 42.46 41.87 3ceu s ILE 74 CO 0.00 -0.55 -0.06 -2.28 0.24 0.00 0.00 174.94 172.30 3ceu s HIS 75 N -2.75 2.96 0.42 1.37 2.46 -0.93 -1.05 115.29 117.76 3ceu s HIS 75 Ca 0.19 -2.20 -0.26 0.00 0.47 0.00 0.00 55.06 53.26 3ceu s HIS 75 Cb -0.02 -1.95 -0.08 0.00 -0.13 0.00 0.00 32.58 30.40 3ceu s HIS 75 CO 0.05 -0.85 1.32 -0.51 -2.47 0.00 0.00 174.74 172.28 3ceu s LEU 76 N 1.20 4.18 0.31 8.88 1.43 0.77 -4.56 118.68 130.89 3ceu s LEU 76 Ca -0.04 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.61 3ceu s LEU 76 Cb -0.19 -3.93 0.02 0.00 0.03 0.00 0.00 46.19 42.11 3ceu s LEU 76 CO -0.07 -0.92 0.63 0.54 0.23 0.00 0.00 176.35 176.76 3ceu s ASN 77 N -0.73 0.07 0.23 2.29 2.20 -0.19 -4.39 114.94 114.42 3ceu s ASN 77 Ca 0.58 -1.00 -0.13 0.00 -0.94 0.00 0.00 52.86 51.37 3ceu s ASN 77 Cb -0.39 0.71 0.30 0.00 -2.00 0.00 0.00 41.25 39.87 3ceu s ASN 77 CO 0.49 -1.38 1.59 0.00 -2.94 0.00 0.00 177.10 174.87 3ceu h ALA 78 N 2.09 0.42 0.00 3.54 0.00 -1.96 0.27 119.26 123.61 3ceu h ALA 78 Ca -0.26 0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3ceu h ALA 78 Cb 1.25 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3ceu h ALA 78 CO 0.34 -0.46 -0.53 0.00 0.00 0.00 0.00 179.25 178.60 3ceu h ARG 79 N -0.02 0.00 -2.36 0.00 3.08 -1.97 -3.35 114.38 109.76 3ceu h ARG 79 Ca 0.36 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.82 3ceu h ARG 79 Cb 0.58 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.23 3ceu h ARG 79 CO -0.81 0.53 -0.88 0.09 -1.07 0.00 0.00 179.97 177.82 3ceu n ASN 80 N -3.56 1.04 0.00 7.04 4.13 0.27 -4.98 115.26 119.20 3ceu n ASN 80 Ca -0.00 -2.80 0.09 0.00 1.68 0.00 0.00 54.58 53.55 3ceu n ASN 80 Cb 0.61 -0.64 0.43 0.00 -1.54 0.00 0.00 39.78 38.65 3ceu n ASN 80 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3ceu n PRO 81 N 1.92 0.20 -3.84 3.52 -0.04 0.69 -1.02 135.00 136.43 3ceu n PRO 81 Ca 0.25 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3ceu n PRO 81 Cb 0.46 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 3ceu n PRO 81 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ceu s SER 82 N -2.67 -0.08 0.80 3.54 1.04 -1.26 -4.78 113.70 110.28 3ceu s SER 82 Ca 0.15 0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.57 3ceu s SER 82 Cb 0.12 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.59 3ceu s SER 82 CO 0.28 -0.19 1.10 -1.83 0.98 0.00 0.00 173.24 173.59 3ceu s GLU 83 N -0.53 2.04 0.68 4.02 -1.05 -1.26 -4.97 118.70 117.62 3ceu s GLU 83 Ca -0.06 1.26 -0.16 0.00 -0.15 0.00 0.00 54.97 55.86 3ceu s GLU 83 Cb -0.04 -1.87 0.01 0.00 -0.44 0.00 0.00 34.13 31.80 3ceu s GLU 83 CO 0.01 -1.82 1.17 -1.25 0.95 0.00 0.00 175.26 174.32 3ceu s PRO 84 N -4.82 2.54 0.00 -4.83 0.04 -1.26 -4.89 135.00 121.78 3ceu s PRO 84 Ca 0.63 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3ceu s PRO 84 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3ceu s PRO 84 CO 0.56 -1.51 0.00 0.72 0.04 0.00 0.00 177.00 176.81 3ceu n HIS 85 N -2.36 0.00 -2.14 0.56 8.25 -1.26 -0.99 115.22 117.28 3ceu n HIS 85 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 3ceu n HIS 85 Cb 0.51 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.64 3ceu n HIS 85 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ceu n ASP 86 N -0.26 6.52 -4.71 0.41 8.00 -1.26 -5.03 116.55 120.21 3ceu n ASP 86 Ca 0.00 -3.79 -0.40 0.00 0.71 0.00 0.00 54.79 51.31 3ceu n ASP 86 Cb 0.00 -0.85 0.02 0.00 -0.02 0.00 0.00 41.12 40.27 3ceu n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ceu n TYR 87 N -0.51 2.14 -3.51 1.24 9.36 -0.16 -5.01 117.16 120.71 3ceu n TYR 87 Ca 0.48 0.47 -0.21 0.00 3.32 0.00 0.00 57.90 61.97 3ceu n TYR 87 Cb 0.38 -2.37 -0.14 0.00 -0.63 0.00 0.00 39.34 36.59 3ceu n TYR 87 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ceu s ALA 88 N -1.24 -0.03 0.00 2.98 0.00 -1.26 -5.02 121.76 117.19 3ceu s ALA 88 Ca 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3ceu s ALA 88 Cb -0.48 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3ceu s ALA 88 CO 0.55 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3ceu n GLY 89 N 5.30 -1.36 3.68 0.00 0.00 -1.26 -5.11 105.19 106.44 3ceu n GLY 89 Ca -0.05 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3ceu n GLY 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ceu s HIS 90 N -3.00 2.29 0.07 1.61 5.65 -1.26 -4.94 115.29 115.71 3ceu s HIS 90 Ca 0.00 0.34 0.08 0.00 0.25 0.00 0.00 55.06 55.73 3ceu s HIS 90 Cb 0.00 -3.90 -0.03 0.00 -1.18 0.00 0.00 32.58 27.48 3ceu s HIS 90 CO 0.00 -3.64 -0.20 0.54 -0.65 0.00 0.00 174.74 170.79 3ceu s VAL 91 N 3.22 1.66 0.16 0.89 0.11 -1.26 -0.27 120.40 124.91 3ceu s VAL 91 Ca 0.72 -1.33 -0.15 0.00 -2.93 0.00 0.00 61.98 58.29 3ceu s VAL 91 Cb -0.36 -1.47 0.02 0.00 -1.53 0.00 0.00 36.38 33.04 3ceu s VAL 91 CO 0.30 0.09 0.42 -0.94 -3.33 0.00 0.00 175.10 171.64 3ceu s SER 92 N -1.48 -0.18 0.31 3.54 1.04 -0.22 -2.00 113.70 114.72 3ceu s SER 92 Ca 0.07 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.87 3ceu s SER 92 Cb -0.09 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3ceu s SER 92 CO 0.03 -0.93 0.62 0.00 0.98 0.00 0.00 173.24 173.94 3ceu s SER 94 N -3.05 5.63 0.14 0.00 0.01 -1.26 -0.86 113.70 114.31 3ceu s SER 94 Ca 0.19 0.16 0.08 0.00 1.31 0.00 0.00 55.95 57.69 3ceu s SER 94 Cb -0.03 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 3ceu s SER 94 CO 0.11 0.30 -0.18 0.00 0.41 0.00 0.00 173.24 173.87 3ceu n HIS 96 N 0.57 1.04 -3.58 0.00 8.25 -1.26 -2.23 115.22 118.01 3ceu n HIS 96 Ca -0.15 -1.61 -0.07 0.00 -0.26 0.00 0.00 57.72 55.63 3ceu n HIS 96 Cb 0.56 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 -3.18 -0.23 0.32 0.41 1.04 -1.26 -4.83 113.70 105.96 3ceu s SER 97 Ca 0.37 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.94 3ceu s SER 97 Cb 0.37 0.22 0.55 0.00 0.10 0.00 0.00 66.02 67.26 3ceu s SER 97 CO -0.06 -0.31 1.91 0.58 0.98 0.00 0.00 173.24 176.34 3ceu h VAL 98 N 2.17 1.19 -0.31 5.02 2.07 -1.98 -2.54 116.25 121.87 3ceu h VAL 98 Ca -0.14 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3ceu h VAL 98 Cb 1.18 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3ceu h VAL 98 CO 0.27 0.24 0.03 -0.08 0.02 0.00 0.00 177.57 178.05 3ceu h GLU 99 N 0.73 0.52 -0.05 1.57 4.81 -1.98 -1.73 114.58 118.44 3ceu h GLU 99 Ca 0.17 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3ceu h GLU 99 Cb 0.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3ceu h GLU 99 CO -0.01 0.63 -0.19 0.93 -0.73 0.00 0.00 179.01 179.64 3ceu h GLU 100 N 0.33 -0.27 -0.92 1.92 5.08 -1.85 0.46 114.58 119.34 3ceu h GLU 100 Ca 0.09 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3ceu h GLU 100 Cb 0.38 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 3ceu h GLU 100 CO 0.01 -0.18 0.58 0.28 -1.00 0.00 0.00 179.01 178.70 3ceu h VAL 101 N -0.28 1.02 0.14 3.13 2.07 -1.46 -2.36 116.25 118.51 3ceu h VAL 101 Ca 0.07 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3ceu h VAL 101 Cb 0.38 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3ceu h VAL 101 CO -0.21 0.19 -0.08 0.50 0.02 0.00 0.00 177.57 177.98 3ceu h LYS 102 N 1.02 -0.21 -1.21 1.57 3.64 -0.30 -1.25 116.57 119.83 3ceu h LYS 102 Ca 0.42 0.01 -0.58 0.00 -1.27 0.00 0.00 60.65 59.23 3ceu h LYS 102 Cb 0.24 0.05 -0.25 0.00 -0.41 0.00 0.00 32.23 31.86 3ceu h LYS 102 CO -0.20 -0.14 0.75 0.09 -2.27 0.00 0.00 179.45 177.69 3ceu n ASN 103 N -5.19 7.35 0.00 4.20 3.02 0.04 -4.42 115.26 120.25 3ceu n ASN 103 Ca -0.08 -3.58 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 3ceu n ASN 103 Cb 0.12 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 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 -0.52 0.00 -0.32 3.52 0.63 -0.95 -4.96 116.66 114.06 3ceu n ARG 104 Ca 0.53 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.65 3ceu n ARG 104 Cb 0.61 -0.01 0.44 0.00 0.45 0.00 0.00 32.46 33.96 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 0.50 0.00 -0.14 2.10 -1.42 0.97 116.57 118.57 3ceu h LYS 105 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3ceu h LYS 105 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 3ceu h LYS 105 CO 0.00 0.33 0.00 0.72 -2.00 0.00 0.00 179.45 178.50 3ceu n HIS 106 N -4.69 0.00 -0.09 0.07 8.25 -1.26 -2.19 115.22 115.31 3ceu n HIS 106 Ca 0.24 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.80 3ceu n HIS 106 Cb 0.76 -0.16 0.24 0.00 1.12 0.00 0.00 29.99 31.95 3ceu n HIS 106 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ceu n PHE 107 N -1.16 0.67 -4.11 4.41 3.72 0.33 -4.95 117.46 116.38 3ceu n PHE 107 Ca 0.13 -0.40 -0.08 0.00 -0.05 0.00 0.00 57.45 57.04 3ceu n PHE 107 Cb 0.13 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.56 3ceu n PHE 107 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3ceu s TYR 108 N -1.13 0.67 0.32 1.38 2.02 -0.93 -5.01 117.35 114.67 3ceu s TYR 108 Ca 0.38 -1.12 0.09 0.00 -0.37 0.00 0.00 57.07 56.05 3ceu s TYR 108 Cb 0.21 -0.41 0.56 0.00 -0.40 0.00 0.00 41.96 41.91 3ceu s TYR 108 CO 0.28 -0.46 1.75 -0.44 -1.57 0.00 0.00 175.55 175.11 3ceu h ASP 109 N 2.98 0.17 -4.13 2.29 3.32 -1.65 -3.46 116.42 115.93 3ceu h ASP 109 Ca -0.34 -0.06 0.22 0.00 0.02 0.00 0.00 57.03 56.86 3ceu h ASP 109 Cb 1.17 -0.05 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 3ceu h ASP 109 CO 0.62 0.54 0.77 -0.72 -1.72 0.00 0.00 179.24 178.72 3ceu s TYR 110 N -4.20 -0.17 0.15 4.55 -0.85 -1.26 -4.86 117.35 110.71 3ceu s TYR 110 Ca -0.04 0.15 0.05 0.00 -0.52 0.00 0.00 57.07 56.71 3ceu s TYR 110 Cb 0.14 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 3ceu s TYR 110 CO 0.75 -0.24 -0.11 0.14 -1.52 0.00 0.00 175.55 174.58 3ceu s VAL 111 N -2.18 1.25 0.00 -3.49 -7.23 -0.50 -3.67 120.40 104.58 3ceu s VAL 111 Ca 0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3ceu s VAL 111 Cb -0.01 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.14 3ceu s VAL 111 CO -0.05 -0.67 0.00 0.49 -0.31 0.00 0.00 175.10 174.57 3ceu n PHE 112 N -0.06 0.00 0.00 2.82 3.01 -0.04 -4.32 117.46 118.87 3ceu n PHE 112 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3ceu n PHE 112 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 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 0.00 0.00 -4.58 4.37 3.41 -0.95 -0.98 113.62 114.89 3ceu n SER 114 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3ceu n SER 114 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.45 3.72 0.30 4.33 0.02 -1.26 -4.12 135.00 135.54 3ceu s PRO 115 Ca 0.00 0.25 0.07 0.00 0.02 0.00 0.00 61.00 61.33 3ceu s PRO 115 Cb 0.00 -3.82 0.49 0.00 0.02 0.00 0.00 34.50 31.19 3ceu s PRO 115 CO 0.00 -0.85 1.73 0.82 -0.33 0.00 0.00 177.00 178.36 3ceu h ILE 116 N 5.76 1.29 -1.81 2.83 1.08 -1.54 -3.30 117.51 121.82 3ceu h ILE 116 Ca -0.25 -1.41 -0.51 0.00 -0.39 0.00 0.00 64.86 62.30 3ceu h ILE 116 Cb 1.10 1.60 -0.41 0.00 -3.07 0.00 0.00 36.82 36.04 3ceu h ILE 116 CO 0.91 0.42 -0.97 -1.22 -0.69 0.00 0.00 178.15 176.60 3ceu n TYR 117 N -4.06 1.98 -3.64 1.37 4.02 0.33 -4.83 117.16 112.33 3ceu n TYR 117 Ca -0.01 -3.56 -0.09 0.00 -0.01 0.00 0.00 57.90 54.23 3ceu n TYR 117 Cb 0.45 -0.38 -0.07 0.00 -0.02 0.00 0.00 39.34 39.32 3ceu n TYR 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3ceu s SER 127 N -3.04 -0.90 0.00 7.72 0.15 -1.25 -3.92 113.70 112.47 3ceu s SER 127 Ca 0.41 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.56 3ceu s SER 127 Cb 0.36 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 3ceu s SER 127 CO -0.09 -0.24 0.00 1.07 1.20 0.00 0.00 173.24 175.18 3ceu n THR 128 N 3.95 0.00 -2.91 6.45 5.66 -1.24 -4.93 114.28 121.26 3ceu n THR 128 Ca -0.19 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 3ceu n THR 128 Cb 0.58 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.44 3ceu n THR 128 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 3ceu n TYR 129 N -0.10 -2.48 -4.16 1.09 4.01 -1.26 -5.11 117.16 109.15 3ceu n TYR 129 Ca 0.00 -2.03 -0.18 0.00 -0.16 0.00 0.00 57.90 55.53 3ceu n TYR 129 Cb 0.00 -0.61 -0.16 0.00 -0.31 0.00 0.00 39.34 38.26 3ceu n TYR 129 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3ceu s THR 130 N -2.77 0.47 0.47 -0.72 2.01 -1.26 -5.03 115.64 108.80 3ceu s THR 130 Ca 0.63 -0.14 0.32 0.00 0.31 0.00 0.00 61.69 62.80 3ceu s THR 130 Cb -0.05 -0.47 0.51 0.00 0.01 0.00 0.00 72.50 72.51 3ceu s THR 130 CO 0.41 0.18 1.68 0.00 -0.69 0.00 0.00 174.62 176.20 3ceu h ALA 131 N 6.78 2.86 -0.03 7.40 0.00 -1.98 0.99 119.26 135.27 3ceu h ALA 131 Ca -0.36 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3ceu h ALA 131 Cb 1.16 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ceu h ALA 131 CO 0.48 -1.37 -0.34 1.49 0.00 0.00 0.00 179.25 179.52 3ceu h GLU 132 N 0.13 0.28 0.00 0.00 4.81 -1.99 -2.25 114.58 115.56 3ceu h GLU 132 Ca 0.74 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.67 3ceu h GLU 132 Cb 2.45 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.88 3ceu h GLU 132 CO -0.26 0.94 -0.17 1.05 -0.73 0.00 0.00 179.01 179.85 3ceu h GLU 133 N -0.28 0.00 -0.34 1.92 4.11 -1.41 -1.22 114.58 117.36 3ceu h GLU 133 Ca -0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.23 3ceu h GLU 133 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3ceu h GLU 133 CO 0.07 0.17 -0.44 1.25 0.07 0.00 0.00 179.01 180.13 3ceu h LEU 134 N 0.00 0.97 -0.57 3.06 5.85 -0.85 -1.41 115.31 122.36 3ceu h LEU 134 Ca -0.00 -0.49 -0.15 0.00 0.84 0.00 0.00 57.88 58.08 3ceu h LEU 134 Cb 0.55 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3ceu h LEU 134 CO 0.02 1.27 -0.47 0.03 -0.34 0.00 0.00 178.44 178.95 3ceu h ARG 135 N 0.70 0.60 -0.76 1.25 3.08 -0.76 -1.46 114.38 117.02 3ceu h ARG 135 Ca 0.04 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 3ceu h ARG 135 Cb 1.04 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3ceu h ARG 135 CO 0.10 0.94 0.26 0.93 -1.07 0.00 0.00 179.97 181.14 3ceu h GLU 136 N 0.48 1.17 0.00 0.04 4.39 -1.13 -0.90 114.58 118.63 3ceu h GLU 136 Ca 0.03 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3ceu h GLU 136 Cb 1.00 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3ceu h GLU 136 CO 0.09 0.98 0.00 0.00 -1.16 0.00 0.00 179.01 178.92 3ceu h ALA 137 N 1.14 1.00 0.01 3.43 0.00 -1.03 -2.65 119.26 121.16 3ceu h ALA 137 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 3ceu h ALA 137 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ceu h ALA 137 CO -0.01 0.00 -0.64 0.37 0.00 0.00 0.00 179.25 178.97 3ceu h GLN 138 N 0.00 0.41 -0.02 0.00 4.15 -0.08 -2.73 115.11 116.84 3ceu h GLN 138 Ca 0.00 -0.46 -0.13 0.00 0.77 0.00 0.00 58.65 58.83 3ceu h GLN 138 Cb 0.50 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 3ceu h GLN 138 CO 0.00 1.12 -0.59 0.87 -1.93 0.00 0.00 178.83 178.31 3ceu h LYS 139 N -0.12 0.06 0.00 1.69 1.57 -1.33 -2.65 116.57 115.79 3ceu h LYS 139 Ca -0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3ceu h LYS 139 Cb 1.36 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3ceu h LYS 139 CO 0.12 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 3ceu n ALA 140 N -2.44 2.23 -0.88 3.86 0.00 -1.01 -4.83 120.51 117.44 3ceu n ALA 140 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ceu n ALA 140 Cb 0.60 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.98 -0.73 -0.16 0.00 4.76 -1.00 -4.84 118.16 115.22 3ceu n LYS 141 Ca 0.14 0.18 -0.08 0.00 -2.87 0.00 0.00 58.31 55.69 3ceu n LYS 141 Cb 0.06 -4.00 0.01 0.00 -1.84 0.00 0.00 35.03 29.27 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 1.14 -3.63 -0.18 2.04 -1.72 -3.38 117.51 111.77 3ceu h ILE 142 Ca 0.00 -0.28 -0.62 0.00 1.00 0.00 0.00 64.86 64.96 3ceu h ILE 142 Cb 0.36 0.48 -0.14 0.00 -0.74 0.00 0.00 36.82 36.79 3ceu h ILE 142 CO 0.00 0.13 -0.28 -0.51 0.00 0.00 0.00 178.15 177.49 3ceu s ILE 143 N -6.06 5.22 0.00 -0.67 2.07 -1.10 -4.84 121.20 115.81 3ceu s ILE 143 Ca -0.13 0.53 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 3ceu s ILE 143 Cb 0.11 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 39.04 3ceu s ILE 143 CO 0.74 0.22 0.00 -0.90 -1.91 0.00 0.00 174.94 173.09 3ceu n ASP 144 N 4.87 0.00 0.04 4.50 3.85 -1.26 -4.79 116.55 123.76 3ceu n ASP 144 Ca -0.10 -0.48 0.02 0.00 -0.71 0.00 0.00 54.79 53.52 3ceu n ASP 144 Cb 0.51 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.38 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 -0.96 0.10 -0.75 -1.12 3.41 -1.26 -0.90 113.62 112.14 3ceu n SER 145 Ca 0.00 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 3ceu n SER 145 Cb 0.00 -0.39 0.12 0.00 -0.26 0.00 0.00 64.21 63.68 3ceu n SER 145 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ceu n LYS 146 N -1.53 1.87 -1.31 4.33 4.81 -1.26 -4.38 118.16 120.69 3ceu n LYS 146 Ca -0.00 -1.50 0.00 0.00 -0.87 0.00 0.00 58.31 55.94 3ceu n LYS 146 Cb 0.19 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.77 3ceu n LYS 146 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3ceu n VAL 147 N 0.75 0.00 -3.95 3.15 3.14 -0.08 -1.41 118.33 119.94 3ceu n VAL 147 Ca 0.13 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.36 3ceu n VAL 147 Cb 0.53 -0.34 -0.15 0.00 -1.06 0.00 0.00 33.84 32.82 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 -2.00 0.20 -0.03 1.55 0.00 -0.38 -1.83 121.76 119.28 3ceu s ALA 149 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 3ceu s ALA 149 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3ceu s ALA 149 CO 0.00 -0.01 0.10 -1.17 0.00 0.00 0.00 175.76 174.68 3ceu s LEU 150 N 0.38 1.65 0.00 0.00 2.96 -1.26 -0.06 118.68 122.34 3ceu s LEU 150 Ca -0.03 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3ceu s LEU 150 Cb -0.06 0.41 0.00 0.00 0.50 0.00 0.00 46.19 47.04 3ceu s LEU 150 CO -0.01 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 3ceu n GLY 151 N 2.54 1.57 2.70 7.98 0.00 -1.26 -2.30 105.19 116.42 3ceu n GLY 151 Ca -0.16 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 0.52 0.03 3.87 -0.02 0.00 -1.25 -0.51 105.19 107.82 3ceu n GLY 152 Ca 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.13 5.27 0.14 -0.61 1.01 -1.26 -4.69 121.20 117.93 3ceu s ILE 153 Ca 0.31 0.42 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 3ceu s ILE 153 Cb -0.14 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.79 3ceu s ILE 153 CO 0.39 0.52 0.26 -0.46 0.00 0.00 0.00 174.94 175.64 3ceu n ASN 154 N 1.62 -0.74 0.28 3.58 0.23 -1.26 -4.67 115.26 114.30 3ceu n ASN 154 Ca -0.15 -1.62 0.17 0.00 -0.53 0.00 0.00 54.58 52.45 3ceu n ASN 154 Cb 0.53 1.26 0.80 0.00 -2.08 0.00 0.00 39.78 40.30 3ceu n ASN 154 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3ceu h GLU 155 N 0.00 0.00 0.00 -3.83 4.11 -1.97 -0.84 114.58 112.05 3ceu h GLU 155 Ca -0.12 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.17 3ceu h GLU 155 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3ceu h GLU 155 CO 0.15 0.05 -0.74 -0.44 0.07 0.00 0.00 179.01 178.10 3ceu h ASP 156 N 0.00 0.00 0.00 3.06 3.45 -1.99 -3.37 116.42 117.57 3ceu h ASP 156 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ceu h ASP 156 Cb 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 3ceu h ASP 156 CO 0.01 0.65 -0.00 -0.46 -1.57 0.00 0.00 179.24 177.86 3ceu n ASN 157 N -3.22 1.81 -0.05 6.45 0.23 -1.06 -4.78 115.26 114.63 3ceu n ASN 157 Ca 0.00 -1.90 -0.11 0.00 -0.53 0.00 0.00 54.58 52.04 3ceu n ASN 157 Cb 0.80 -0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.46 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 0.00 0.25 -1.72 -4.53 5.85 -1.32 -2.67 115.31 111.16 3ceu h LEU 158 Ca 0.00 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3ceu h LEU 158 Cb 0.55 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3ceu h LEU 158 CO 0.00 0.30 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.25 3ceu h LEU 159 N 0.18 0.08 -1.39 2.25 -0.00 -1.86 -1.62 115.31 112.94 3ceu h LEU 159 Ca 0.06 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 3ceu h LEU 159 Cb 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 3ceu h LEU 159 CO -0.01 0.17 -0.23 -0.08 -0.00 0.00 0.00 178.44 178.29 3ceu h GLU 160 N 0.08 0.00 0.07 1.13 4.81 -1.81 -2.60 114.58 116.27 3ceu h GLU 160 Ca 0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3ceu h GLU 160 Cb 0.19 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.58 3ceu h GLU 160 CO 0.01 0.23 -0.61 0.82 -0.73 0.00 0.00 179.01 178.73 3ceu h ILE 161 N 0.00 1.52 0.00 2.32 2.04 -1.07 -3.14 117.51 119.18 3ceu h ILE 161 Ca -0.00 -2.32 -0.00 0.00 1.00 0.00 0.00 64.86 63.54 3ceu h ILE 161 Cb 0.61 3.00 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3ceu h ILE 161 CO 0.03 0.65 -0.00 0.07 0.00 0.00 0.00 178.15 178.90 3ceu h LYS 162 N -0.37 0.00 0.00 2.37 2.10 -1.49 -0.40 116.57 118.78 3ceu h LYS 162 Ca -0.10 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.45 3ceu h LYS 162 Cb 1.41 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.73 3ceu h LYS 162 CO 0.12 0.00 -0.51 -0.44 -2.00 0.00 0.00 179.45 176.62 3ceu h ASP 163 N 0.00 0.00 0.55 7.07 5.19 -1.46 -2.44 116.42 125.33 3ceu h ASP 163 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ceu h ASP 163 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 3ceu h ASP 163 CO 0.00 0.51 0.00 0.49 -3.12 0.00 0.00 179.24 177.12 3ceu n PHE 164 N -3.90 0.00 -0.37 4.55 3.01 -0.16 -4.88 117.46 115.70 3ceu n PHE 164 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3ceu n PHE 164 Cb 0.53 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3ceu n PHE 164 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ceu n GLY 165 N 0.77 0.74 3.72 1.37 0.00 -0.92 -4.72 105.19 106.15 3ceu n GLY 165 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.16 2.54 1.87 1.61 3.72 -1.23 -4.20 117.46 119.60 3ceu n PHE 166 Ca 0.00 0.41 0.11 0.00 -0.05 0.00 0.00 57.45 57.92 3ceu n PHE 166 Cb 0.00 -2.50 0.64 0.00 -0.94 0.00 0.00 39.48 36.68 3ceu n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ceu n GLY 167 N 1.50 -0.93 0.00 1.37 0.00 -0.76 -4.78 105.19 101.58 3ceu n GLY 167 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ceu n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ceu n GLY 168 N 0.75 0.91 3.10 -0.02 0.00 -1.23 -2.65 105.19 106.04 3ceu n GLY 168 Ca 0.16 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 3ceu n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ceu s ALA 169 N -2.00 1.14 -0.12 4.61 0.00 -0.06 -1.25 121.76 124.07 3ceu s ALA 169 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 3ceu s ALA 169 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3ceu s ALA 169 CO 0.00 0.28 -0.11 0.08 0.00 0.00 0.00 175.76 176.01 3ceu s VAL 170 N -0.34 3.29 0.10 0.00 1.01 0.91 0.01 120.40 125.38 3ceu s VAL 170 Ca 0.05 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3ceu s VAL 170 Cb -0.05 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3ceu s VAL 170 CO -0.00 0.53 -0.13 0.68 0.00 0.00 0.00 175.10 176.17 3ceu s VAL 171 N 0.17 1.17 0.00 2.92 -7.23 0.23 -4.40 120.40 113.27 3ceu s VAL 171 Ca -0.06 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3ceu s VAL 171 Cb -0.15 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.41 3ceu s VAL 171 CO 0.04 -0.41 0.00 -0.11 -0.31 0.00 0.00 175.10 174.31 3ceu n LEU 172 N 0.71 0.00 0.19 1.32 0.00 -1.26 -0.79 117.00 117.16 3ceu n LEU 172 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.69 3ceu n LEU 172 Cb 0.57 0.06 -0.08 0.00 0.00 0.00 0.00 43.42 43.97 3ceu n LEU 172 CO 0.26 -0.34 0.77 1.23 0.00 0.00 0.00 177.39 179.30 3ceu h GLY 173 N 0.00 -0.44 1.31 -3.96 0.00 -1.94 -1.48 103.07 96.55 3ceu h GLY 173 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3ceu h GLY 173 CO 0.00 -0.16 0.28 -1.80 0.00 0.00 0.00 176.54 174.86 3ceu h ASP 174 N -0.42 0.00 0.00 0.19 3.58 -1.94 -0.54 116.42 117.28 3ceu h ASP 174 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3ceu h ASP 174 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3ceu h ASP 174 CO 0.07 0.00 -0.82 -0.11 -2.88 0.00 0.00 179.24 175.50 3ceu n LEU 175 N -2.28 1.68 0.20 2.28 0.00 -1.01 -4.63 117.00 113.23 3ceu n LEU 175 Ca -0.01 0.28 0.04 0.00 0.00 0.00 0.00 56.01 56.32 3ceu n LEU 175 Cb 0.31 -0.68 0.44 0.00 0.00 0.00 0.00 43.42 43.48 3ceu n LEU 175 CO 0.08 -0.33 0.83 -0.50 0.00 0.00 0.00 177.39 177.47 3ceu h TRP 176 N -0.82 0.01 0.00 1.96 4.06 -1.15 -2.20 115.95 117.80 3ceu h TRP 176 Ca 0.00 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ceu h TRP 176 Cb 0.82 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 3ceu h TRP 176 CO -0.35 0.27 0.00 0.09 -3.56 0.00 0.00 178.44 174.89 3ceu n ASN 177 N -4.23 0.03 -0.18 -3.49 5.03 -0.22 -1.28 115.26 110.93 3ceu n ASN 177 Ca -0.02 0.51 0.06 0.00 0.87 0.00 0.00 54.58 56.00 3ceu n ASN 177 Cb 0.31 -0.52 0.28 0.00 -1.02 0.00 0.00 39.78 38.84 3ceu n ASN 177 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3ceu n LYS 178 N -1.54 1.23 -3.75 3.52 3.00 -0.83 -4.73 118.16 115.06 3ceu n LYS 178 Ca 0.00 -0.35 -0.15 0.00 -0.00 0.00 0.00 58.31 57.82 3ceu n LYS 178 Cb 0.03 -1.20 -0.15 0.00 0.00 0.00 0.00 35.03 33.70 3ceu n LYS 178 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3ceu s PHE 179 N -1.90 -0.07 -0.20 5.64 2.19 -0.40 -4.35 117.98 118.88 3ceu s PHE 179 Ca 0.18 0.33 0.01 0.00 0.33 0.00 0.00 56.93 57.79 3ceu s PHE 179 Cb 0.09 -0.18 0.04 0.00 -1.31 0.00 0.00 43.02 41.66 3ceu s PHE 179 CO 0.14 -0.14 -0.11 -0.51 1.83 0.00 0.00 175.22 176.43 3ceu s ASP 180 N 1.25 3.40 0.32 6.13 1.01 -1.26 -5.03 116.67 122.49 3ceu s ASP 180 Ca -0.08 -0.89 -0.29 0.00 0.71 0.00 0.00 52.55 52.01 3ceu s ASP 180 Cb -0.12 -1.25 -0.13 0.00 1.01 0.00 0.00 42.92 42.44 3ceu s ASP 180 CO -0.05 -0.14 1.32 0.00 0.21 0.00 0.00 175.17 176.51 3ceu n ALA 181 N 4.68 1.26 -0.21 5.23 0.00 -1.26 -1.39 120.51 128.82 3ceu n ALA 181 Ca -0.15 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3ceu n ALA 181 Cb 0.47 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3ceu n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ceu n LEU 183 N 0.00 0.64 -4.89 0.00 4.77 -0.83 -4.96 117.00 111.73 3ceu n LEU 183 Ca 0.00 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 3ceu n LEU 183 Cb 0.00 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3ceu n LEU 183 CO 0.00 0.41 -0.07 -1.81 -1.33 0.00 0.00 177.39 174.59 3ceu s ASP 184 N -4.76 6.48 0.00 -1.43 1.01 -0.48 -4.98 116.67 112.51 3ceu s ASP 184 Ca -0.10 0.53 0.27 0.00 0.71 0.00 0.00 52.55 53.97 3ceu s ASP 184 Cb 0.04 -2.08 0.95 0.00 1.01 0.00 0.00 42.92 42.85 3ceu s ASP 184 CO 0.48 0.24 1.70 1.67 0.21 0.00 0.00 175.17 179.48 3ceu n GLN 185 N 1.03 0.32 -3.84 8.23 -0.06 -1.26 -4.91 117.38 116.89 3ceu n GLN 185 Ca -0.11 -0.13 -0.05 0.00 -2.00 0.00 0.00 57.00 54.72 3ceu n GLN 185 Cb 0.53 -1.50 0.01 0.00 -4.06 0.00 0.00 30.24 25.22 3ceu n GLN 185 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3ceu s ASN 186 N -2.77 -0.05 -0.28 1.69 2.20 -1.26 -5.05 114.94 109.42 3ceu s ASN 186 Ca 0.19 -0.71 0.09 0.00 -0.94 0.00 0.00 52.86 51.49 3ceu s ASN 186 Cb 0.19 0.58 0.48 0.00 -2.00 0.00 0.00 41.25 40.50 3ceu s ASN 186 CO 0.56 -1.14 1.40 0.00 -2.94 0.00 0.00 177.10 174.99 3ceu n TYR 187 N -0.60 0.92 -0.07 1.54 4.11 -1.26 -4.74 117.16 117.05 3ceu n TYR 187 Ca -0.05 -1.64 -0.09 0.00 -0.00 0.00 0.00 57.90 56.13 3ceu n TYR 187 Cb 0.60 -0.44 -0.01 0.00 -0.00 0.00 0.00 39.34 39.48 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 1.07 0.21 -1.40 -3.48 3.38 -1.96 -2.38 115.31 110.75 3ceu h LEU 188 Ca 0.18 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.34 3ceu h LEU 188 Cb 1.47 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.12 3ceu h LEU 188 CO 0.33 0.16 0.59 0.00 0.09 0.00 0.00 178.44 179.60 3ceu h ALA 189 N 1.14 2.05 -0.04 1.53 0.00 -1.86 0.56 119.26 122.63 3ceu h ALA 189 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ceu h ALA 189 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ceu h ALA 189 CO -0.07 -0.32 -0.07 0.28 0.00 0.00 0.00 179.25 179.07 3ceu h VAL 190 N 0.52 1.42 -0.63 0.00 2.07 -1.63 -1.50 116.25 116.48 3ceu h VAL 190 Ca 0.47 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 3ceu h VAL 190 Cb 1.00 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 3ceu h VAL 190 CO -0.20 0.36 0.14 0.40 0.02 0.00 0.00 177.57 178.29 3ceu h ILE 191 N -0.39 1.26 -0.58 4.57 1.08 -0.87 -1.16 117.51 121.42 3ceu h ILE 191 Ca 0.00 -0.95 -0.08 0.00 -0.39 0.00 0.00 64.86 63.44 3ceu h ILE 191 Cb 0.62 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 3ceu h ILE 191 CO 0.01 0.36 0.05 -0.33 -0.69 0.00 0.00 178.15 177.55 3ceu h GLU 192 N 0.94 0.97 0.00 2.37 5.08 0.01 -2.20 114.58 121.76 3ceu h GLU 192 Ca 0.20 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3ceu h GLU 192 Cb 0.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3ceu h GLU 192 CO 0.00 0.93 -0.46 1.25 -1.00 0.00 0.00 179.01 179.74 3ceu h HIS 193 N 0.90 0.00 -0.17 4.33 2.76 -1.00 -2.40 115.15 119.58 3ceu h HIS 193 Ca 0.17 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3ceu h HIS 193 Cb 0.47 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 3ceu h HIS 193 CO 0.03 0.46 -0.14 0.35 -1.30 0.00 0.00 177.93 177.33 3ceu h PHE 194 N 0.00 0.48 -0.87 5.26 3.04 -0.80 -2.09 116.94 121.95 3ceu h PHE 194 Ca -0.00 -0.13 0.04 0.00 3.98 0.00 0.00 57.97 61.85 3ceu h PHE 194 Cb 0.88 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.24 3ceu h PHE 194 CO 0.00 0.75 0.57 0.87 -2.02 0.00 0.00 178.31 178.48 3ceu h LYS 195 N 0.06 1.05 0.08 1.11 1.57 -1.29 0.19 116.57 119.34 3ceu h LYS 195 Ca 0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ceu h LYS 195 Cb 0.66 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3ceu h LYS 195 CO 0.04 0.69 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.35 3ceu h LYS 196 N 1.08 -0.10 -0.46 3.15 3.64 -1.28 -0.37 116.57 122.22 3ceu h LYS 196 Ca 0.34 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 3ceu h LYS 196 Cb 0.03 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3ceu h LYS 196 CO -0.10 0.05 0.18 -0.07 -2.27 0.00 0.00 179.45 177.24 3ceu h LEU 197 N -0.24 0.59 -0.89 5.20 3.38 -0.64 -1.75 115.31 120.95 3ceu h LEU 197 Ca -0.01 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3ceu h LEU 197 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ceu h LEU 197 CO 0.02 0.54 -0.47 0.50 0.09 0.00 0.00 178.44 179.12 3ceu h LYS 198 N 0.65 0.00 -0.08 1.13 3.64 -0.40 -1.28 116.57 120.22 3ceu h LYS 198 Ca 0.16 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 3ceu h LYS 198 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3ceu h LYS 198 CO -0.02 0.47 -0.66 -0.22 -2.27 0.00 0.00 179.45 176.76 3ceu h LYS 199 N 0.00 0.34 -0.08 1.90 3.64 -0.20 -1.13 116.57 121.04 3ceu h LYS 199 Ca -0.00 -0.25 -0.22 0.00 -1.27 0.00 0.00 60.65 58.91 3ceu h LYS 199 Cb 0.96 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3ceu h LYS 199 CO 0.06 0.87 -0.84 -0.07 -2.27 0.00 0.00 179.45 177.21 3ceu h LEU 200 N 0.24 0.75 -0.61 5.20 3.38 -1.15 -2.25 115.31 120.87 3ceu h LEU 200 Ca -0.01 -0.52 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 3ceu h LEU 200 Cb 1.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3ceu h LEU 200 CO 0.11 1.31 -0.15 0.00 0.09 0.00 0.00 178.44 179.80 3ceu h ALA 201 N 0.67 0.80 -0.36 1.53 0.00 -1.17 -2.58 119.26 118.15 3ceu h ALA 201 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3ceu h ALA 201 Cb 1.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ceu h ALA 201 CO 0.16 0.66 0.00 -0.25 0.00 0.00 0.00 179.25 179.82 3ceu n ASP 202 N -4.13 2.02 -4.41 0.00 10.43 -0.43 -4.70 116.55 115.32 3ceu n ASP 202 Ca 0.01 -2.03 -0.45 0.00 2.57 0.00 0.00 54.79 54.90 3ceu n ASP 202 Cb 0.41 -0.26 -0.03 0.00 1.84 0.00 0.00 41.12 43.09 3ceu n ASP 202 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3ceu s LEU 203 N -1.02 5.53 0.00 0.64 2.96 -0.85 -4.95 118.68 120.99 3ceu s LEU 203 Ca 0.24 -2.16 0.00 0.00 -0.22 0.00 0.00 54.13 51.99 3ceu s LEU 203 Cb 0.13 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3ceu s LEU 203 CO 0.16 -0.94 0.96 1.21 -1.32 0.00 0.00 176.35 176.42 3ceu n GLU 204 N 5.85 0.00 -1.54 1.98 4.07 -1.26 -4.69 120.64 125.05 3ceu n GLU 204 Ca 0.19 0.77 -0.55 0.00 -0.06 0.00 0.00 57.16 57.51 3ceu n GLU 204 Cb 0.48 -1.46 -0.07 0.00 -0.06 0.00 0.00 31.44 30.33 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 -2.49 0.98 -0.24 4.31 -0.00 -1.26 -4.70 115.22 111.83 3ceu n HIS 205 Ca 0.00 0.86 0.00 0.00 0.46 0.00 0.00 57.72 59.04 3ceu n HIS 205 Cb 0.00 -2.19 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 3ceu n HIS 205 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 3ceu n HIS 206 N 1.83 0.00 0.48 1.57 1.44 -1.26 -5.19 115.22 114.10 3ceu n HIS 206 Ca 0.19 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.94 3ceu n HIS 206 Cb 0.14 0.00 0.23 0.00 0.12 0.00 0.00 29.99 30.48 3ceu n HIS 206 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11