#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4t s SER 0 N 0.00 4.65 -0.29 1.61 0.15 -1.26 -4.76 113.70 113.80 3i4t s SER 0 Ca 0.00 1.51 -0.21 0.00 0.70 0.00 0.00 55.95 57.95 3i4t s SER 0 Cb 0.00 -2.28 0.15 0.00 -1.71 0.00 0.00 66.02 62.19 3i4t s SER 0 CO 0.00 -1.90 1.13 -0.32 1.20 0.00 0.00 173.24 173.35 3i4t s MET 1 N -5.05 0.32 -0.25 5.44 0.00 -1.25 -4.72 119.30 113.78 3i4t s MET 1 Ca 0.60 0.45 -0.09 0.00 0.00 0.00 0.00 55.69 56.65 3i4t s MET 1 Cb -0.15 0.12 -0.04 0.00 0.00 0.00 0.00 34.83 34.76 3i4t s MET 1 CO 0.55 -0.05 0.12 -1.17 0.00 0.00 0.00 175.02 174.48 3i4t s LEU 2 N 0.65 3.77 -0.27 4.11 2.96 -0.53 -1.14 118.68 128.22 3i4t s LEU 2 Ca -0.01 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 3i4t s LEU 2 Cb -0.04 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3i4t s LEU 2 CO -0.11 -0.00 0.24 -0.31 -1.32 0.00 0.00 176.35 174.84 3i4t s TYR 3 N 1.46 3.24 -0.29 5.38 1.51 0.98 -0.41 117.35 129.21 3i4t s TYR 3 Ca 0.06 0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.25 3i4t s TYR 3 Cb -0.15 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 39.27 3i4t s TYR 3 CO 0.06 -0.16 0.11 0.42 -1.11 0.00 0.00 175.55 174.87 3i4t s ILE 4 N 1.78 4.35 -0.15 2.71 1.01 0.28 0.48 121.20 131.66 3i4t s ILE 4 Ca 0.09 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3i4t s ILE 4 Cb -0.16 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.16 3i4t s ILE 4 CO 0.10 0.16 -0.20 -0.63 0.00 0.00 0.00 174.94 174.37 3i4t s ILE 5 N 1.59 1.93 -0.03 2.92 1.01 0.04 -0.42 121.20 128.24 3i4t s ILE 5 Ca 0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 3i4t s ILE 5 Cb -0.16 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3i4t s ILE 5 CO 0.04 0.52 1.08 -0.83 0.00 0.00 0.00 174.94 175.75 3i4t s GLY 6 N 1.06 2.49 0.01 6.18 0.00 -0.45 -1.44 107.32 115.17 3i4t s GLY 6 Ca -0.02 0.58 0.25 0.00 0.00 0.00 0.00 44.72 45.53 3i4t s GLY 6 CO -0.06 1.93 1.42 1.04 0.00 0.00 0.00 173.10 177.43 3i4t n LEU 7 N 4.47 0.49 0.00 0.66 4.77 0.10 -4.56 117.00 122.93 3i4t n LEU 7 Ca 0.08 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3i4t n LEU 7 Cb 0.48 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3i4t n LEU 7 CO 0.53 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3i4t n GLY 8 N 1.49 -1.74 0.00 -0.72 0.00 -1.08 -2.18 105.19 100.96 3i4t n GLY 8 Ca 0.05 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.44 3i4t n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4t n LEU 9 N 0.00 0.05 0.00 0.99 4.77 -1.26 0.17 117.00 121.72 3i4t n LEU 9 Ca 0.00 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3i4t n LEU 9 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i4t n LEU 9 CO 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.07 3i4t n TYR 10 N -1.10 0.00 -4.03 -1.77 9.36 -1.26 -4.76 117.16 113.59 3i4t n TYR 10 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.16 3i4t n TYR 10 Cb 0.02 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.71 3i4t n TYR 10 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3i4t n ASP 11 N -2.33 -0.30 0.33 2.98 5.68 -1.26 -0.12 116.55 121.53 3i4t n ASP 11 Ca 0.00 -1.77 0.20 0.00 -0.50 0.00 0.00 54.79 52.73 3i4t n ASP 11 Cb 0.00 0.66 1.09 0.00 -1.14 0.00 0.00 41.12 41.73 3i4t n ASP 11 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i4t h GLU 12 N 0.00 0.00 -0.00 0.11 9.09 -1.91 -1.70 114.58 120.16 3i4t h GLU 12 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3i4t h GLU 12 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3i4t h GLU 12 CO 0.12 0.00 -0.01 1.63 0.05 0.00 0.00 179.01 180.80 3i4t n LYS 13 N -3.13 1.04 0.00 1.06 5.02 -1.26 -3.74 118.16 117.15 3i4t n LYS 13 Ca -0.02 -0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3i4t n LYS 13 Cb 0.16 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.85 3i4t n LYS 13 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i4t n ASP 14 N -0.79 0.86 -4.74 4.39 8.00 -0.64 -4.89 116.55 118.74 3i4t n ASP 14 Ca 0.21 -0.66 -0.39 0.00 0.71 0.00 0.00 54.79 54.66 3i4t n ASP 14 Cb 0.19 0.41 0.04 0.00 -0.02 0.00 0.00 41.12 41.74 3i4t n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4t n ILE 15 N -1.19 3.73 -1.85 0.53 3.06 -0.93 -4.16 119.36 118.56 3i4t n ILE 15 Ca 0.07 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.51 3i4t n ILE 15 Cb 0.35 -1.64 0.02 0.00 0.54 0.00 0.00 39.64 38.90 3i4t n ILE 15 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3i4t s THR 16 N -1.29 4.47 0.15 9.51 -4.23 -1.26 -4.88 115.64 118.11 3i4t s THR 16 Ca 0.71 0.85 -0.18 0.00 -1.18 0.00 0.00 61.69 61.89 3i4t s THR 16 Cb -0.42 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 69.73 3i4t s THR 16 CO 0.50 -1.00 1.70 0.58 -0.54 0.00 0.00 174.62 175.86 3i4t h VAL 17 N -0.28 0.76 -0.33 2.29 2.07 -1.98 0.17 116.25 118.94 3i4t h VAL 17 Ca -0.44 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.13 3i4t h VAL 17 Cb 1.20 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 3i4t h VAL 17 CO 0.60 0.01 -0.16 -0.09 0.02 0.00 0.00 177.57 177.95 3i4t h ARG 18 N 0.06 -0.10 -0.62 1.57 2.43 -1.99 -0.17 114.38 115.56 3i4t h ARG 18 Ca 0.14 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3i4t h ARG 18 Cb 0.20 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 3i4t h ARG 18 CO -0.26 -0.07 0.33 0.78 -1.51 0.00 0.00 179.97 179.24 3i4t h GLY 19 N -0.11 0.90 1.40 2.80 0.00 -1.75 -0.82 103.07 105.49 3i4t h GLY 19 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3i4t h GLY 19 CO -0.40 0.13 0.23 -2.00 0.00 0.00 0.00 176.54 174.51 3i4t h LEU 20 N 0.61 0.70 -0.47 3.11 5.85 -0.30 -1.55 115.31 123.26 3i4t h LEU 20 Ca 0.28 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 3i4t h LEU 20 Cb 0.19 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3i4t h LEU 20 CO -0.18 0.62 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.98 3i4t h GLU 21 N 0.77 0.98 -0.26 1.25 5.08 -0.09 -2.20 114.58 120.10 3i4t h GLU 21 Ca 0.19 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3i4t h GLU 21 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3i4t h GLU 21 CO -0.02 1.10 -0.06 0.00 -1.00 0.00 0.00 179.01 179.02 3i4t h ALA 22 N 0.86 0.36 -0.54 3.43 0.00 -1.00 -1.16 119.26 121.21 3i4t h ALA 22 Ca 0.11 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.85 3i4t h ALA 22 Cb 0.80 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 3i4t h ALA 22 CO 0.07 0.17 -0.20 0.28 0.00 0.00 0.00 179.25 179.57 3i4t h VAL 23 N 0.26 0.36 0.00 0.00 2.07 -1.26 -0.82 116.25 116.85 3i4t h VAL 23 Ca 0.07 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3i4t h VAL 23 Cb 0.53 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3i4t h VAL 23 CO 0.03 0.00 -0.29 0.11 0.02 0.00 0.00 177.57 177.44 3i4t h LYS 24 N -0.07 0.00 0.00 1.57 1.57 -1.08 -2.53 116.57 116.03 3i4t h LYS 24 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3i4t h LYS 24 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3i4t h LYS 24 CO -0.59 0.29 -0.38 0.66 -0.57 0.00 0.00 179.45 178.86 3i4t h SER 25 N 0.00 0.00 -4.08 0.86 4.64 -0.23 -3.47 113.55 111.27 3i4t h SER 25 Ca -0.00 -0.02 -0.45 0.00 -0.47 0.00 0.00 61.79 60.85 3i4t h SER 25 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3i4t h SER 25 CO 0.04 0.01 0.35 0.00 -0.87 0.00 0.00 176.83 176.36 3i4t h ASP 27 N 1.76 0.06 -3.89 0.00 3.45 -1.29 -3.46 116.42 113.06 3i4t h ASP 27 Ca -0.49 -0.08 -0.34 0.00 0.43 0.00 0.00 57.03 56.55 3i4t h ASP 27 Cb 1.18 -0.02 -0.29 0.00 -0.56 0.00 0.00 39.33 39.64 3i4t h ASP 27 CO 0.61 1.06 -0.76 -0.76 -1.57 0.00 0.00 179.24 177.82 3i4t s LEU 28 N -6.65 1.94 -0.15 1.55 1.43 -1.20 -5.07 118.68 110.53 3i4t s LEU 28 Ca -0.01 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3i4t s LEU 28 Cb 0.09 -0.31 0.03 0.00 0.03 0.00 0.00 46.19 46.03 3i4t s LEU 28 CO 0.83 0.06 -0.08 -0.69 0.23 0.00 0.00 176.35 176.70 3i4t s VAL 29 N -0.04 1.23 -0.02 -1.59 1.01 -1.26 -0.89 120.40 118.85 3i4t s VAL 29 Ca 0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3i4t s VAL 29 Cb -0.03 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3i4t s VAL 29 CO -0.00 0.27 -0.02 -0.36 0.00 0.00 0.00 175.10 174.99 3i4t s PHE 30 N 1.60 3.05 -0.17 5.22 0.08 0.13 -0.24 117.98 127.65 3i4t s PHE 30 Ca 0.03 0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.11 3i4t s PHE 30 Cb -0.14 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3i4t s PHE 30 CO -0.08 0.44 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.93 3i4t s LEU 31 N -1.38 3.17 0.15 -0.37 1.43 0.91 0.08 118.68 122.68 3i4t s LEU 31 Ca 0.18 -0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 52.76 3i4t s LEU 31 Cb -0.11 -1.77 -0.13 0.00 0.03 0.00 0.00 46.19 44.20 3i4t s LEU 31 CO 0.08 0.13 1.67 1.21 0.23 0.00 0.00 176.35 179.67 3i4t n GLU 32 N 3.81 2.40 -0.18 1.70 2.13 -0.67 -2.66 120.64 127.17 3i4t n GLU 32 Ca -0.17 0.87 0.23 0.00 0.66 0.00 0.00 57.16 58.74 3i4t n GLU 32 Cb 0.52 -2.68 0.63 0.00 0.27 0.00 0.00 31.44 30.18 3i4t n GLU 32 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 3i4t h HIS 33 N 6.69 0.23 0.00 4.31 2.07 -1.91 0.19 115.15 126.72 3i4t h HIS 33 Ca -0.45 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 3i4t h HIS 33 Cb 1.24 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.15 3i4t h HIS 33 CO 0.67 0.06 0.33 1.88 -3.07 0.00 0.00 177.93 177.79 3i4t h TYR 34 N 0.17 0.00 0.00 6.12 0.05 -1.93 -0.77 116.97 120.61 3i4t h TYR 34 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 3i4t h TYR 34 Cb 1.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.11 3i4t h TYR 34 CO -0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 3i4t n THR 35 N -2.42 0.73 0.30 -2.88 -2.24 0.66 -3.08 114.28 105.34 3i4t n THR 35 Ca -0.01 0.06 0.19 0.00 -2.27 0.00 0.00 64.05 62.01 3i4t n THR 35 Cb 0.36 -0.94 1.00 0.00 -2.10 0.00 0.00 70.33 68.65 3i4t n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4t h ALA 36 N 2.39 1.35 0.00 6.98 0.00 -1.35 -1.71 119.26 126.92 3i4t h ALA 36 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3i4t h ALA 36 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i4t h ALA 36 CO 0.00 -0.14 -0.16 0.97 0.00 0.00 0.00 179.25 179.92 3i4t h ILE 37 N 0.00 0.50 -3.91 0.00 6.09 -1.79 -3.45 117.51 114.95 3i4t h ILE 37 Ca 0.02 -0.81 -0.56 0.00 -1.37 0.00 0.00 64.86 62.14 3i4t h ILE 37 Cb 0.25 1.56 0.15 0.00 0.47 0.00 0.00 36.82 39.24 3i4t h ILE 37 CO -0.00 0.16 0.50 0.18 -3.07 0.00 0.00 178.15 175.92 3i4t n LEU 38 N -3.45 5.18 -3.50 2.19 4.77 -0.65 -4.89 117.00 116.65 3i4t n LEU 38 Ca -0.01 0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 56.51 3i4t n LEU 38 Cb 0.33 -1.54 -0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3i4t n LEU 38 CO 0.31 -0.85 2.32 0.00 -1.33 0.00 0.00 177.39 177.84 3i4t n GLN 39 N -1.05 4.66 -3.84 3.23 6.02 0.83 -4.81 117.38 122.42 3i4t n GLN 39 Ca 0.11 -3.56 -0.09 0.00 -0.01 0.00 0.00 57.00 53.45 3i4t n GLN 39 Cb 0.45 -2.62 -0.07 0.00 1.02 0.00 0.00 30.24 29.02 3i4t n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4t s ASP 41 N -2.87 4.76 0.19 0.00 1.01 -1.26 -5.03 116.67 113.47 3i4t s ASP 41 Ca 0.07 -0.27 -0.12 0.00 0.71 0.00 0.00 52.55 52.94 3i4t s ASP 41 Cb 0.04 -1.04 0.19 0.00 1.01 0.00 0.00 42.92 43.12 3i4t s ASP 41 CO -0.09 0.17 1.76 0.58 0.21 0.00 0.00 175.17 177.80 3i4t h VAL 42 N 3.02 0.84 -0.57 -1.27 2.07 -1.98 -1.15 116.25 117.21 3i4t h VAL 42 Ca -0.48 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3i4t h VAL 42 Cb 1.17 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3i4t h VAL 42 CO 0.57 0.07 0.34 0.00 0.02 0.00 0.00 177.57 178.57 3i4t h ALA 43 N 1.34 0.73 -0.71 1.67 0.00 -1.99 0.14 119.26 120.44 3i4t h ALA 43 Ca 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3i4t h ALA 43 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3i4t h ALA 43 CO -0.24 0.07 0.18 0.87 0.00 0.00 0.00 179.25 180.13 3i4t h LYS 44 N 0.68 1.13 -0.78 0.00 1.57 -1.82 -2.63 116.57 114.72 3i4t h LYS 44 Ca 0.23 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3i4t h LYS 44 Cb 0.02 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 3i4t h LYS 44 CO -0.10 0.99 0.50 1.25 -0.57 0.00 0.00 179.45 181.52 3i4t h LEU 45 N 1.07 0.83 -0.49 2.94 5.85 -0.84 -1.03 115.31 123.64 3i4t h LEU 45 Ca 0.22 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3i4t h LEU 45 Cb 0.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3i4t h LEU 45 CO 0.00 0.58 0.15 -0.33 -0.34 0.00 0.00 178.44 178.50 3i4t h GLU 46 N 0.98 0.77 -0.00 1.25 5.08 -0.63 -0.70 114.58 121.33 3i4t h GLU 46 Ca 0.31 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3i4t h GLU 46 Cb -0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3i4t h GLU 46 CO -0.10 0.73 -0.14 -0.85 -1.00 0.00 0.00 179.01 177.64 3i4t n GLU 47 N -4.50 0.22 0.04 2.33 0.28 -1.06 0.36 120.64 118.31 3i4t n GLU 47 Ca 0.01 -0.06 -0.13 0.00 -0.16 0.00 0.00 57.16 56.82 3i4t n GLU 47 Cb 0.20 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.54 3i4t n GLU 47 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3i4t h PHE 48 N 0.14 0.71 0.00 -1.84 3.57 -0.71 -3.30 116.94 115.51 3i4t h PHE 48 Ca 0.00 -0.34 -0.04 0.00 3.53 0.00 0.00 57.97 61.12 3i4t h PHE 48 Cb 0.44 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3i4t h PHE 48 CO 0.00 1.14 -0.77 1.88 -2.23 0.00 0.00 178.31 178.33 3i4t h TYR 49 N 0.32 0.00 -0.67 0.41 0.05 -0.65 -3.48 116.97 112.95 3i4t h TYR 49 Ca -0.06 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.49 3i4t h TYR 49 Cb 1.45 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.11 3i4t h TYR 49 CO 0.06 0.16 -0.22 0.41 -1.05 0.00 0.00 178.16 177.52 3i4t n GLY 50 N 1.20 1.07 3.05 3.88 0.00 0.16 -4.84 105.19 109.72 3i4t n GLY 50 Ca -0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 3i4t n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4t s LYS 51 N -3.16 0.50 0.29 1.61 1.02 -0.69 -4.99 119.74 114.32 3i4t s LYS 51 Ca 0.00 -0.99 -0.27 0.00 0.02 0.00 0.00 55.97 54.73 3i4t s LYS 51 Cb 0.00 0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 37.39 3i4t s LYS 51 CO 0.00 -0.09 0.92 0.15 -0.92 0.00 0.00 175.35 175.41 3i4t s LYS 52 N -3.03 4.63 0.02 1.68 -0.14 -1.26 -4.55 119.74 117.10 3i4t s LYS 52 Ca -0.01 1.33 0.08 0.00 -1.36 0.00 0.00 55.97 56.01 3i4t s LYS 52 Cb 0.01 -2.96 -0.03 0.00 -1.68 0.00 0.00 37.83 33.18 3i4t s LYS 52 CO -0.07 0.37 -0.24 0.08 -0.76 0.00 0.00 175.35 174.73 3i4t s VAL 53 N -1.47 2.26 -0.22 3.17 1.01 -1.26 -4.48 120.40 119.41 3i4t s VAL 53 Ca 0.46 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3i4t s VAL 53 Cb -0.21 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3i4t s VAL 53 CO 0.26 0.44 0.03 -0.63 0.00 0.00 0.00 175.10 175.20 3i4t s ILE 54 N -0.76 4.10 0.01 2.22 1.01 0.66 -4.99 121.20 123.46 3i4t s ILE 54 Ca 0.12 -0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.26 3i4t s ILE 54 Cb -0.10 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3i4t s ILE 54 CO 0.01 0.40 0.77 -0.63 0.00 0.00 0.00 174.94 175.49 3i4t s ILE 55 N 1.21 4.83 0.00 2.92 1.01 -1.26 -0.06 121.20 129.84 3i4t s ILE 55 Ca 0.04 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.31 3i4t s ILE 55 Cb -0.14 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3i4t s ILE 55 CO 0.02 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3i4t n GLY 56 N 2.63 2.58 5.56 6.18 0.00 -1.09 -4.95 105.19 116.10 3i4t n GLY 56 Ca -0.01 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3i4t n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i4t n GLU 64 N 0.00 0.00 -2.97 1.61 2.13 -1.26 -4.16 120.64 115.99 3i4t n GLU 64 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 3i4t n GLU 64 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 3i4t n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i4t s ALA 65 N -0.74 3.55 -2.85 4.31 0.00 -1.26 -4.90 121.76 119.88 3i4t s ALA 65 Ca 0.00 -0.41 0.25 0.00 0.00 0.00 0.00 51.96 51.79 3i4t s ALA 65 Cb 0.00 -3.26 0.37 0.00 0.00 0.00 0.00 23.12 20.23 3i4t s ALA 65 CO 0.00 -1.13 1.36 -0.25 0.00 0.00 0.00 175.76 175.74 3i4t n ASP 66 N 6.12 2.77 0.28 0.00 9.92 -1.26 -4.43 116.55 129.95 3i4t n ASP 66 Ca 0.03 -1.91 0.18 0.00 -0.53 0.00 0.00 54.79 52.56 3i4t n ASP 66 Cb 0.48 -0.03 0.81 0.00 -0.64 0.00 0.00 41.12 41.74 3i4t n ASP 66 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 3i4t h GLN 67 N 4.24 0.00 0.07 -1.24 3.07 -2.01 -0.91 115.11 118.34 3i4t h GLN 67 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.40 3i4t h GLN 67 Cb 0.90 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.43 3i4t h GLN 67 CO 0.00 0.00 -1.94 -0.89 0.09 0.00 0.00 178.83 176.09 3i4t n ILE 68 N -3.01 1.69 -0.04 1.86 5.41 -1.26 -4.47 119.36 119.55 3i4t n ILE 68 Ca -0.00 -0.71 -0.11 0.00 1.00 0.00 0.00 62.75 62.93 3i4t n ILE 68 Cb 0.24 -1.43 -0.14 0.00 -0.71 0.00 0.00 39.64 37.59 3i4t n ILE 68 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3i4t n LEU 69 N -3.29 1.10 -0.09 1.39 4.77 -1.05 -3.41 117.00 116.42 3i4t n LEU 69 Ca -0.28 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3i4t n LEU 69 Cb 1.05 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.09 3i4t n LEU 69 CO 0.43 0.51 0.97 -0.33 -1.33 0.00 0.00 177.39 177.63 3i4t h GLU 70 N 0.01 0.40 -0.69 3.23 4.39 -1.42 -1.97 114.58 118.53 3i4t h GLU 70 Ca -0.37 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.31 3i4t h GLU 70 Cb 2.06 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 30.59 3i4t h GLU 70 CO 0.06 0.31 0.45 -1.35 -1.16 0.00 0.00 179.01 177.33 3i4t h PRO 71 N 0.37 0.88 -0.00 2.33 0.11 -1.78 -2.95 132.00 130.96 3i4t h PRO 71 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3i4t h PRO 71 Cb 0.01 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 3i4t h PRO 71 CO -0.02 0.58 0.07 0.00 -0.21 0.00 0.00 178.00 178.43 3i4t h ALA 72 N 1.27 1.10 0.00 -0.75 0.00 -1.45 0.25 119.26 119.68 3i4t h ALA 72 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i4t h ALA 72 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i4t h ALA 72 CO -0.07 -0.08 0.00 -0.22 0.00 0.00 0.00 179.25 178.88 3i4t h LYS 73 N 0.00 0.00 0.00 0.00 3.64 -1.19 -3.36 116.57 115.66 3i4t h LYS 73 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i4t h LYS 73 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3i4t h LYS 73 CO -0.00 0.00 -0.38 0.25 -2.27 0.00 0.00 179.45 177.05 3i4t n THR 74 N -3.00 0.00 -4.41 1.00 -2.24 0.61 -4.92 114.28 101.32 3i4t n THR 74 Ca -0.02 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 3i4t n THR 74 Cb 0.14 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 3i4t n THR 74 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i4t s LYS 75 N -1.38 1.71 -0.22 -0.78 1.02 0.42 -4.36 119.74 116.16 3i4t s LYS 75 Ca 0.00 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.14 3i4t s LYS 75 Cb 0.00 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 3i4t s LYS 75 CO 0.00 0.38 1.71 -0.80 -0.92 0.00 0.00 175.35 175.72 3i4t s ASN 76 N -3.04 6.24 -0.03 2.83 0.01 -1.26 -3.84 114.94 115.85 3i4t s ASN 76 Ca 0.25 1.66 0.07 0.00 -0.71 0.00 0.00 52.86 54.13 3i4t s ASN 76 Cb -0.07 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3i4t s ASN 76 CO 0.13 -1.37 -0.23 -0.69 -1.51 0.00 0.00 177.10 173.43 3i4t s VAL 77 N 5.65 2.32 -0.09 1.60 1.01 -0.29 -0.83 120.40 129.76 3i4t s VAL 77 Ca 0.76 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3i4t s VAL 77 Cb -0.26 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3i4t s VAL 77 CO 0.31 0.58 -0.17 0.00 0.00 0.00 0.00 175.10 175.83 3i4t s ALA 78 N -0.62 2.50 -0.18 5.51 0.00 -0.07 -0.02 121.76 128.89 3i4t s ALA 78 Ca 0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 3i4t s ALA 78 Cb -0.10 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 3i4t s ALA 78 CO -0.00 0.36 -0.11 -1.17 0.00 0.00 0.00 175.76 174.84 3i4t s LEU 79 N -0.02 2.67 -0.19 0.00 2.96 0.18 0.22 118.68 124.49 3i4t s LEU 79 Ca -0.05 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 3i4t s LEU 79 Cb -0.14 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3i4t s LEU 79 CO 0.04 0.05 0.06 -0.76 -1.32 0.00 0.00 176.35 174.42 3i4t s LEU 80 N 1.05 3.71 0.05 -0.68 1.43 0.11 -0.78 118.68 123.58 3i4t s LEU 80 Ca -0.00 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3i4t s LEU 80 Cb -0.15 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3i4t s LEU 80 CO -0.02 0.13 -0.17 0.68 0.23 0.00 0.00 176.35 177.20 3i4t s VAL 81 N 0.63 1.35 0.21 -1.59 -7.23 -0.52 -1.67 120.40 111.57 3i4t s VAL 81 Ca 0.03 -1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 3i4t s VAL 81 Cb -0.13 -1.21 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 3i4t s VAL 81 CO 0.02 0.03 1.45 -0.69 -0.31 0.00 0.00 175.10 175.60 3i4t s VAL 82 N -0.91 2.79 0.00 1.32 1.01 -1.26 -0.72 120.40 122.62 3i4t s VAL 82 Ca 0.04 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3i4t s VAL 82 Cb -0.09 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3i4t s VAL 82 CO 0.02 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3i4t n GLY 83 N 2.74 1.31 3.31 4.51 0.00 0.13 -4.78 105.19 112.41 3i4t n GLY 83 Ca 0.09 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3i4t n GLY 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i4t s ASP 84 N -4.00 2.90 0.12 1.61 2.15 -1.00 -2.62 116.67 115.82 3i4t s ASP 84 Ca 0.00 -0.58 -0.25 0.00 0.43 0.00 0.00 52.55 52.15 3i4t s ASP 84 Cb 0.00 -0.25 -0.07 0.00 -0.30 0.00 0.00 42.92 42.31 3i4t s ASP 84 CO 0.00 0.21 1.65 0.58 -0.17 0.00 0.00 175.17 177.44 3i4t h VAL 85 N 4.24 0.50 0.20 1.11 2.07 -1.87 -0.60 116.25 121.91 3i4t h VAL 85 Ca -0.45 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.74 3i4t h VAL 85 Cb 1.15 0.50 0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3i4t h VAL 85 CO 0.43 0.00 -1.54 1.88 0.02 0.00 0.00 177.57 178.36 3i4t h TYR 86 N -0.36 0.78 -0.99 1.57 0.05 -1.97 -3.09 116.97 112.96 3i4t h TYR 86 Ca 0.05 -0.57 0.25 0.00 0.05 0.00 0.00 58.73 58.51 3i4t h TYR 86 Cb 0.42 -0.03 -0.13 0.00 1.01 0.00 0.00 36.73 38.00 3i4t h TYR 86 CO -0.24 1.54 0.57 0.78 -1.05 0.00 0.00 178.16 179.76 3i4t h GLY 87 N 0.69 1.89 0.98 3.88 0.00 -1.94 -0.75 103.07 107.82 3i4t h GLY 87 Ca -0.27 -0.29 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 3i4t h GLY 87 CO 0.23 -0.28 -0.72 0.00 0.00 0.00 0.00 176.54 175.77 3i4t h ALA 88 N 1.74 0.15 0.00 3.60 0.00 -1.19 -3.46 119.26 120.11 3i4t h ALA 88 Ca 0.65 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i4t h ALA 88 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3i4t h ALA 88 CO -0.50 0.50 0.00 2.41 0.00 0.00 0.00 179.25 181.66 3i4t n THR 89 N -4.08 0.00 0.19 0.00 -1.04 -0.29 -4.78 114.28 104.28 3i4t n THR 89 Ca -0.10 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.95 3i4t n THR 89 Cb 0.72 -0.17 0.37 0.00 -1.82 0.00 0.00 70.33 69.43 3i4t n THR 89 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3i4t h THR 90 N 0.00 1.15 -0.27 12.58 2.02 -1.87 -3.29 112.91 123.23 3i4t h THR 90 Ca 0.00 -1.34 -0.06 0.00 0.77 0.00 0.00 66.41 65.78 3i4t h THR 90 Cb 0.00 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3i4t h THR 90 CO 0.00 0.37 0.08 1.41 0.37 0.00 0.00 175.52 177.75 3i4t n HIS 91 N -3.92 0.92 0.10 3.16 8.25 -1.26 -4.23 115.22 118.24 3i4t n HIS 91 Ca -0.02 -0.51 -0.02 0.00 -0.26 0.00 0.00 57.72 56.91 3i4t n HIS 91 Cb 0.43 -0.34 0.20 0.00 1.12 0.00 0.00 29.99 31.40 3i4t n HIS 91 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3i4t h SER 92 N 1.18 0.20 0.75 0.41 0.02 -1.91 -3.19 113.55 111.01 3i4t h SER 92 Ca 0.08 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3i4t h SER 92 Cb 1.28 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3i4t h SER 92 CO 0.26 0.66 -0.45 0.44 -1.14 0.00 0.00 176.83 176.61 3i4t h ASP 93 N 0.15 0.00 0.08 3.07 5.19 -1.91 -3.09 116.42 119.91 3i4t h ASP 93 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i4t h ASP 93 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 3i4t h ASP 93 CO 0.07 0.45 -0.04 0.40 -3.12 0.00 0.00 179.24 177.00 3i4t h ILE 94 N 0.00 0.98 -0.44 0.35 1.08 -1.88 -0.43 117.51 117.18 3i4t h ILE 94 Ca -0.00 -0.20 0.08 0.00 -0.39 0.00 0.00 64.86 64.34 3i4t h ILE 94 Cb 0.94 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.74 3i4t h ILE 94 CO 0.06 0.05 0.02 -0.26 -0.69 0.00 0.00 178.15 177.33 3i4t h PHE 95 N -0.20 0.02 -0.09 1.37 0.04 -1.62 0.54 116.94 117.01 3i4t h PHE 95 Ca -0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3i4t h PHE 95 Cb 0.16 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 3i4t h PHE 95 CO -0.04 -0.06 0.06 0.28 -0.60 0.00 0.00 178.31 177.94 3i4t h VAL 96 N 0.14 1.04 -0.77 -0.55 2.07 -1.47 -1.03 116.25 115.68 3i4t h VAL 96 Ca 0.22 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3i4t h VAL 96 Cb 0.30 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3i4t h VAL 96 CO -0.34 0.03 0.51 0.03 0.02 0.00 0.00 177.57 177.82 3i4t h ARG 97 N 0.11 0.93 -0.32 1.57 3.08 -0.47 -0.29 114.38 118.99 3i4t h ARG 97 Ca 0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3i4t h ARG 97 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3i4t h ARG 97 CO -0.01 0.62 0.05 0.00 -1.07 0.00 0.00 179.97 179.56 3i4t h GLN 99 N 0.36 0.03 -0.24 0.00 4.20 -0.56 0.07 115.11 118.97 3i4t h GLN 99 Ca 0.10 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.87 3i4t h GLN 99 Cb 0.35 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3i4t h GLN 99 CO 0.01 0.02 0.24 0.87 -0.67 0.00 0.00 178.83 179.30 3i4t h LYS 100 N 0.03 0.00 -0.07 1.46 1.57 -0.97 -2.64 116.57 115.94 3i4t h LYS 100 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3i4t h LYS 100 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3i4t h LYS 100 CO -0.23 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.32 3i4t n MET 101 N -3.88 0.91 -1.94 3.15 2.81 -0.83 -5.00 117.12 112.34 3i4t n MET 101 Ca 0.03 -1.29 -0.05 0.00 -1.81 0.00 0.00 57.70 54.58 3i4t n MET 101 Cb 0.38 -1.21 -0.01 0.00 -0.71 0.00 0.00 33.22 31.68 3i4t n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i4t n GLY 102 N 0.55 0.26 3.68 3.03 0.00 -0.13 -5.02 105.19 107.56 3i4t n GLY 102 Ca 0.07 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3i4t n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i4t s ILE 103 N -2.23 5.30 0.25 -0.61 1.01 -0.37 -5.03 121.20 119.51 3i4t s ILE 103 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 3i4t s ILE 103 Cb 0.00 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 3i4t s ILE 103 CO 0.00 0.32 1.29 -0.70 0.00 0.00 0.00 174.94 175.85 3i4t s GLU 104 N 1.03 4.40 -0.06 2.79 2.12 -1.26 -4.47 118.70 123.26 3i4t s GLU 104 Ca 0.13 2.09 0.05 0.00 0.36 0.00 0.00 54.97 57.59 3i4t s GLU 104 Cb -0.14 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 3i4t s GLU 104 CO 0.05 -0.19 -0.21 0.08 -0.54 0.00 0.00 175.26 174.45 3i4t s VAL 105 N -0.42 2.39 -0.16 3.70 1.01 -1.26 -1.46 120.40 124.21 3i4t s VAL 105 Ca 0.53 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3i4t s VAL 105 Cb -0.37 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3i4t s VAL 105 CO 0.43 0.57 -0.13 -0.75 0.00 0.00 0.00 175.10 175.22 3i4t s LYS 106 N -0.29 2.25 -0.12 2.72 2.47 0.45 -4.96 119.74 122.26 3i4t s LYS 106 Ca 0.01 -0.61 -0.17 0.00 -1.56 0.00 0.00 55.97 53.63 3i4t s LYS 106 Cb -0.13 -2.17 -0.04 0.00 -1.46 0.00 0.00 37.83 34.03 3i4t s LYS 106 CO 0.03 -0.27 0.43 0.08 0.16 0.00 0.00 175.35 175.78 3i4t s VAL 107 N 1.47 5.20 -0.21 4.02 1.01 -1.26 -0.56 120.40 130.07 3i4t s VAL 107 Ca 0.04 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 3i4t s VAL 107 Cb -0.13 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 3i4t s VAL 107 CO -0.10 0.36 -0.08 -0.63 0.00 0.00 0.00 175.10 174.64 3i4t s ILE 108 N 0.47 3.03 0.40 2.22 1.01 0.44 -4.95 121.20 123.82 3i4t s ILE 108 Ca 0.24 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 3i4t s ILE 108 Cb -0.15 -2.36 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 3i4t s ILE 108 CO 0.09 0.45 0.79 -1.00 0.00 0.00 0.00 174.94 175.27 3i4t s HIS 109 N 1.42 3.45 0.14 3.97 3.76 -1.26 -1.34 115.29 125.43 3i4t s HIS 109 Ca 0.05 1.11 -0.03 0.00 -0.15 0.00 0.00 55.06 56.05 3i4t s HIS 109 Cb -0.14 -2.49 0.01 0.00 1.11 0.00 0.00 32.58 31.07 3i4t s HIS 109 CO -0.06 -0.10 0.22 -1.71 -0.85 0.00 0.00 174.74 172.25 3i4t n ASN 110 N -1.18 -0.64 -4.73 1.40 2.85 -1.26 -4.76 115.26 106.94 3i4t n ASN 110 Ca 0.03 -1.65 -0.34 0.00 -0.11 0.00 0.00 54.58 52.51 3i4t n ASN 110 Cb 0.54 1.12 0.08 0.00 1.24 0.00 0.00 39.78 42.76 3i4t n ASN 110 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i4t s ALA 111 N -1.76 2.22 0.04 5.20 0.00 -1.26 -4.48 121.76 121.72 3i4t s ALA 111 Ca 0.09 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.95 3i4t s ALA 111 Cb -0.01 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3i4t s ALA 111 CO 0.06 -1.71 -0.08 0.45 0.00 0.00 0.00 175.76 174.47 3i4t s SER 112 N -2.01 0.95 0.49 0.00 0.15 -1.26 -2.38 113.70 109.64 3i4t s SER 112 Ca 0.74 -0.54 0.17 0.00 0.70 0.00 0.00 55.95 57.03 3i4t s SER 112 Cb -0.29 0.02 1.19 0.00 -1.71 0.00 0.00 66.02 65.24 3i4t s SER 112 CO 0.43 -0.18 2.04 -0.29 1.20 0.00 0.00 173.24 176.45 3i4t h ILE 113 N 4.49 0.90 -0.54 6.45 6.09 -1.96 -0.40 117.51 132.54 3i4t h ILE 113 Ca -0.36 -0.06 -0.04 0.00 -1.37 0.00 0.00 64.86 63.03 3i4t h ILE 113 Cb 1.20 0.70 -0.03 0.00 0.47 0.00 0.00 36.82 39.17 3i4t h ILE 113 CO 0.41 0.03 0.16 -0.03 -3.07 0.00 0.00 178.15 175.66 3i4t h MET 114 N 0.18 0.81 0.17 2.19 4.05 -1.95 -2.51 114.93 117.87 3i4t h MET 114 Ca 0.17 -0.14 -0.36 0.00 -0.28 0.00 0.00 59.70 59.09 3i4t h MET 114 Cb 0.46 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 3i4t h MET 114 CO -0.03 0.70 -1.81 -2.95 0.23 0.00 0.00 176.91 173.05 3i4t h ASN 115 N 0.79 0.57 -0.48 1.39 -1.07 -1.84 -3.40 115.58 111.54 3i4t h ASN 115 Ca 0.18 -0.94 0.11 0.00 0.07 0.00 0.00 56.30 55.72 3i4t h ASN 115 Cb 0.24 -0.19 -0.02 0.00 -2.07 0.00 0.00 38.32 36.28 3i4t h ASN 115 CO -0.01 1.81 0.33 0.00 0.07 0.00 0.00 177.43 179.63 3i4t h ALA 116 N 0.11 2.24 0.00 4.14 0.00 -0.94 -0.47 119.26 124.33 3i4t h ALA 116 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i4t h ALA 116 Cb 2.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3i4t h ALA 116 CO 0.16 -0.36 0.00 0.44 0.00 0.00 0.00 179.25 179.48 3i4t n ILE 117 N -4.44 1.06 0.30 0.00 -5.35 -0.96 -1.99 119.36 107.99 3i4t n ILE 117 Ca 0.08 0.26 0.18 0.00 -0.27 0.00 0.00 62.75 63.00 3i4t n ILE 117 Cb 0.44 -1.18 0.96 0.00 -1.74 0.00 0.00 39.64 38.12 3i4t n ILE 117 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3i4t h GLY 118 N 0.85 0.00 1.96 3.28 0.00 -1.36 -2.23 103.07 105.57 3i4t h GLY 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i4t h GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3i4t h SER 120 N 0.00 0.00 0.00 0.00 4.64 -1.67 -3.47 113.55 113.05 3i4t h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i4t h SER 120 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3i4t h SER 120 CO 0.00 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3i4t n GLY 121 N -0.16 1.17 3.76 -0.77 0.00 -0.93 -3.81 105.19 104.45 3i4t n GLY 121 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3i4t n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4t s LEU 122 N 0.00 4.54 -0.23 0.99 1.43 -1.26 -4.43 118.68 119.72 3i4t s LEU 122 Ca 0.00 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.05 3i4t s LEU 122 Cb 0.00 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 3i4t s LEU 122 CO 0.00 -0.14 1.30 -1.10 0.23 0.00 0.00 176.35 176.65 3i4t s GLN 123 N -1.47 4.06 0.55 1.70 -0.21 -1.26 -4.70 119.66 118.32 3i4t s GLN 123 Ca 0.45 1.48 0.22 0.00 0.02 0.00 0.00 55.36 57.53 3i4t s GLN 123 Cb -0.31 -3.83 1.47 0.00 1.00 0.00 0.00 33.01 31.34 3i4t s GLN 123 CO 0.40 -0.93 2.14 -0.07 -2.12 0.00 0.00 175.29 174.71 3i4t h LEU 124 N 10.37 0.00 -1.52 2.90 3.38 -1.95 -0.98 115.31 127.51 3i4t h LEU 124 Ca -0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3i4t h LEU 124 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3i4t h LEU 124 CO 1.00 0.00 -0.20 1.88 0.09 0.00 0.00 178.44 181.21 3i4t h TYR 125 N 0.00 0.00 -0.00 1.13 0.05 -2.01 -2.70 116.97 113.43 3i4t h TYR 125 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3i4t h TYR 125 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 3i4t h TYR 125 CO 0.00 0.20 -0.01 0.54 -1.05 0.00 0.00 178.16 177.84 3i4t n ARG 126 N -3.62 1.03 -2.45 4.88 1.74 -0.37 -4.84 116.66 113.02 3i4t n ARG 126 Ca -0.01 -0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 3i4t n ARG 126 Cb 0.34 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3i4t n ARG 126 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i4t s PHE 127 N -2.11 3.26 0.00 -1.55 0.40 -1.02 -0.48 117.98 116.47 3i4t s PHE 127 Ca 0.42 1.24 0.00 0.00 -0.60 0.00 0.00 56.93 57.99 3i4t s PHE 127 Cb 0.21 -3.42 0.00 0.00 0.51 0.00 0.00 43.02 40.33 3i4t s PHE 127 CO 0.38 -1.29 0.00 0.41 0.70 0.00 0.00 175.22 175.43 3i4t n GLY 128 N 3.32 0.74 3.78 4.36 0.00 0.18 -4.84 105.19 112.73 3i4t n GLY 128 Ca 0.10 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 3i4t n GLY 128 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i4t s GLN 129 N 0.48 4.02 0.21 1.61 -2.07 -1.26 -4.86 119.66 117.79 3i4t s GLN 129 Ca 0.00 1.61 -0.27 0.00 -1.82 0.00 0.00 55.36 54.87 3i4t s GLN 129 Cb 0.00 -2.49 -0.09 0.00 -1.09 0.00 0.00 33.01 29.34 3i4t s GLN 129 CO 0.00 -0.29 0.86 0.99 -1.32 0.00 0.00 175.29 175.53 3i4t s THR 130 N -1.62 4.23 0.18 3.63 2.01 -1.26 -4.55 115.64 118.26 3i4t s THR 130 Ca 0.60 1.86 0.09 0.00 0.31 0.00 0.00 61.69 64.55 3i4t s THR 130 Cb -0.24 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 3i4t s THR 130 CO 0.30 0.47 -0.18 0.68 -0.69 0.00 0.00 174.62 175.21 3i4t s VAL 131 N -1.21 1.84 -0.09 3.82 -7.23 -0.79 -5.04 120.40 111.70 3i4t s VAL 131 Ca 0.39 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3i4t s VAL 131 Cb -0.24 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 34.81 3i4t s VAL 131 CO 0.28 -0.37 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.07 3i4t s SER 132 N -2.82 2.69 -0.19 4.85 0.01 -1.26 -0.26 113.70 116.73 3i4t s SER 132 Ca 0.18 -0.48 -0.10 0.00 1.31 0.00 0.00 55.95 56.85 3i4t s SER 132 Cb -0.05 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 3i4t s SER 132 CO 0.07 0.11 0.15 -0.69 0.41 0.00 0.00 173.24 173.29 3i4t s VAL 133 N 0.50 5.40 0.21 3.43 1.01 -0.30 -4.67 120.40 125.99 3i4t s VAL 133 Ca -0.16 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3i4t s VAL 133 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3i4t s VAL 133 CO 0.06 0.45 0.18 0.00 0.00 0.00 0.00 175.10 175.79 3i4t s PHE 135 N -1.93 2.95 0.38 0.00 0.08 -1.26 -4.96 117.98 113.24 3i4t s PHE 135 Ca 0.32 0.80 -0.24 0.00 0.12 0.00 0.00 56.93 57.93 3i4t s PHE 135 Cb -0.09 -3.72 -0.10 0.00 -0.57 0.00 0.00 43.02 38.54 3i4t s PHE 135 CO 0.24 -2.64 0.98 -1.58 -0.10 0.00 0.00 175.22 172.13 3i4t s TRP 136 N 1.91 3.43 -0.27 0.36 0.52 -1.26 -4.96 118.94 118.67 3i4t s TRP 136 Ca 0.66 1.69 -0.00 0.00 0.02 0.00 0.00 56.10 58.46 3i4t s TRP 136 Cb -0.35 -2.97 0.15 0.00 -1.15 0.00 0.00 33.47 29.14 3i4t s TRP 136 CO 0.29 -0.17 0.37 0.45 0.02 0.00 0.00 176.95 177.91 3i4t s SER 137 N -1.76 0.63 1.66 2.95 0.15 -0.41 -5.05 113.70 111.87 3i4t s SER 137 Ca 0.56 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.94 3i4t s SER 137 Cb -0.17 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 3i4t s SER 137 CO 0.22 -0.34 0.00 -0.62 1.20 0.00 0.00 173.24 173.69 3i4t n GLU 138 N 5.35 0.00 0.03 5.44 -0.58 -1.26 -0.96 120.64 128.66 3i4t n GLU 138 Ca -0.01 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.84 3i4t n GLU 138 Cb 0.49 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.34 3i4t n GLU 138 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i4t n HIS 139 N 0.00 0.32 -2.44 -0.32 8.25 -1.26 -4.74 115.22 115.02 3i4t n HIS 139 Ca 0.00 0.09 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 3i4t n HIS 139 Cb 0.00 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 3i4t n HIS 139 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3i4t s TRP 140 N -3.27 2.21 -0.53 4.41 -0.11 -0.13 -4.87 118.94 116.65 3i4t s TRP 140 Ca 0.01 -0.05 0.07 0.00 1.22 0.00 0.00 56.10 57.35 3i4t s TRP 140 Cb 0.14 -4.53 0.30 0.00 -1.50 0.00 0.00 33.47 27.88 3i4t s TRP 140 CO 0.82 -2.06 0.79 0.54 -4.62 0.00 0.00 176.95 172.41 3i4t n ARG 141 N 9.21 2.23 -2.24 5.86 1.74 -1.26 -1.29 116.66 130.92 3i4t n ARG 141 Ca 0.14 -4.29 -0.37 0.00 -0.77 0.00 0.00 57.85 52.57 3i4t n ARG 141 Cb 0.50 -1.99 -0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3i4t n ARG 141 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i4t s PRO 142 N -2.65 3.66 -0.17 5.56 0.04 -1.26 -4.96 135.00 135.22 3i4t s PRO 142 Ca 0.43 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.46 3i4t s PRO 142 Cb 0.24 -2.33 0.46 0.00 0.04 0.00 0.00 34.50 32.91 3i4t s PRO 142 CO -0.09 -0.63 1.15 -1.13 0.04 0.00 0.00 177.00 176.34 3i4t n SER 143 N -0.65 1.11 -0.01 6.66 3.41 -1.26 -4.85 113.62 118.03 3i4t n SER 143 Ca 0.08 -2.02 0.15 0.00 -0.26 0.00 0.00 58.87 56.81 3i4t n SER 143 Cb 0.48 -0.32 0.59 0.00 -0.26 0.00 0.00 64.21 64.70 3i4t n SER 143 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3i4t h SER 144 N 1.89 0.18 0.12 4.04 0.02 -1.93 -1.63 113.55 116.24 3i4t h SER 144 Ca -0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3i4t h SER 144 Cb 1.49 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.99 3i4t h SER 144 CO 0.11 0.11 -0.05 0.10 -1.14 0.00 0.00 176.83 175.96 3i4t h TYR 145 N 0.20 0.00 0.46 3.45 -0.00 -1.92 -3.32 116.97 115.84 3i4t h TYR 145 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.94 3i4t h TYR 145 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.39 3i4t h TYR 145 CO -0.00 0.05 -0.22 -0.92 -0.00 0.00 0.00 178.16 177.07 3i4t h TYR 146 N 0.00 -0.58 -0.45 0.10 3.20 -1.70 -0.51 116.97 117.03 3i4t h TYR 146 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3i4t h TYR 146 Cb 0.13 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3i4t h TYR 146 CO 0.00 -0.33 0.30 -1.00 -1.64 0.00 0.00 178.16 175.49 3i4t h PRO 147 N -0.68 0.58 -0.23 1.82 0.13 -1.76 -1.83 132.00 130.02 3i4t h PRO 147 Ca -0.06 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.95 3i4t h PRO 147 Cb 0.51 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 3i4t h PRO 147 CO 0.10 0.38 -0.21 0.87 -0.23 0.00 0.00 178.00 178.92 3i4t h LYS 148 N 0.60 0.42 -0.49 0.86 1.57 -1.57 -1.95 116.57 116.00 3i4t h LYS 148 Ca 0.17 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3i4t h LYS 148 Cb -0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3i4t h LYS 148 CO -0.04 0.61 -0.11 0.82 -0.57 0.00 0.00 179.45 180.17 3i4t h ILE 149 N 0.38 1.26 -0.37 1.86 2.04 -0.33 -2.49 117.51 119.86 3i4t h ILE 149 Ca 0.06 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.75 3i4t h ILE 149 Cb 0.59 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3i4t h ILE 149 CO 0.04 0.42 0.14 0.50 0.00 0.00 0.00 178.15 179.25 3i4t h LYS 150 N 0.81 0.29 -0.51 2.37 3.64 -0.98 -0.96 116.57 121.22 3i4t h LYS 150 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3i4t h LYS 150 Cb 0.63 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3i4t h LYS 150 CO 0.04 0.19 0.34 0.82 -2.27 0.00 0.00 179.45 178.57 3i4t h ILE 151 N 0.30 1.14 -0.69 2.00 2.04 -1.28 0.21 117.51 121.22 3i4t h ILE 151 Ca 0.17 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3i4t h ILE 151 Cb 0.14 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3i4t h ILE 151 CO -0.17 0.13 0.45 0.78 0.00 0.00 0.00 178.15 179.34 3i4t h ASN 152 N 0.70 0.81 0.01 1.72 2.35 -1.08 -2.02 115.58 118.08 3i4t h ASN 152 Ca 0.19 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 3i4t h ASN 152 Cb -0.07 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.10 3i4t h ASN 152 CO -0.04 0.60 -0.33 0.03 -1.65 0.00 0.00 177.43 176.04 3i4t h ARG 153 N 0.94 0.20 -0.99 0.81 3.08 -0.84 0.58 114.38 118.16 3i4t h ARG 153 Ca 0.25 -0.23 0.25 0.00 0.07 0.00 0.00 59.98 60.32 3i4t h ARG 153 Cb -0.08 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 3i4t h ARG 153 CO -0.05 0.99 0.67 -0.44 -1.07 0.00 0.00 179.97 180.06 3i4t h ASP 154 N -0.49 0.31 -0.51 7.04 5.19 -0.61 -1.27 116.42 126.09 3i4t h ASP 154 Ca -0.05 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i4t h ASP 154 Cb 1.12 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.62 3i4t h ASP 154 CO 0.06 0.09 0.00 0.59 -3.12 0.00 0.00 179.24 176.86 3i4t n ASN 155 N -4.48 4.46 -2.26 6.45 3.02 -0.76 -4.97 115.26 116.72 3i4t n ASN 155 Ca 0.22 -2.59 -0.15 0.00 -0.03 0.00 0.00 54.58 52.03 3i4t n ASN 155 Cb 0.88 -0.54 0.04 0.00 -0.61 0.00 0.00 39.78 39.55 3i4t n ASN 155 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3i4t n ASN 156 N 0.58 -4.73 -4.56 6.41 5.15 -0.48 -5.01 115.26 112.62 3i4t n ASN 156 Ca 0.23 -0.26 -0.29 0.00 -0.60 0.00 0.00 54.58 53.67 3i4t n ASN 156 Cb 0.88 -3.49 -0.10 0.00 -0.53 0.00 0.00 39.78 36.54 3i4t n ASN 156 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3i4t s MET 157 N -5.52 2.03 0.61 1.20 -1.94 0.20 -4.82 119.30 111.06 3i4t s MET 157 Ca 0.27 -1.12 -0.11 0.00 -1.71 0.00 0.00 55.69 53.02 3i4t s MET 157 Cb -0.12 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 3i4t s MET 157 CO 0.34 0.48 1.02 -1.01 -0.01 0.00 0.00 175.02 175.85 3i4t s HIS 158 N -1.32 3.62 -0.05 -0.03 3.76 0.37 -3.60 115.29 118.03 3i4t s HIS 158 Ca 0.21 1.30 0.05 0.00 -0.15 0.00 0.00 55.06 56.47 3i4t s HIS 158 Cb -0.10 -2.72 -0.00 0.00 1.11 0.00 0.00 32.58 30.86 3i4t s HIS 158 CO 0.13 -0.66 -0.20 0.99 -0.85 0.00 0.00 174.74 174.15 3i4t s THR 159 N -3.13 1.67 -0.24 1.30 2.01 0.39 -0.65 115.64 116.99 3i4t s THR 159 Ca 0.55 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 3i4t s THR 159 Cb -0.11 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3i4t s THR 159 CO 0.52 0.47 0.27 -0.22 -0.69 0.00 0.00 174.62 174.97 3i4t s LEU 160 N 0.04 4.09 -0.38 4.42 2.96 -1.26 -0.74 118.68 127.81 3i4t s LEU 160 Ca -0.06 0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.99 3i4t s LEU 160 Cb -0.13 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.33 3i4t s LEU 160 CO 0.03 -0.04 0.20 -0.69 -1.32 0.00 0.00 176.35 174.53 3i4t s VAL 161 N 1.43 4.23 0.17 1.68 1.01 0.66 -1.89 120.40 127.70 3i4t s VAL 161 Ca 0.12 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 3i4t s VAL 161 Cb -0.15 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 3i4t s VAL 161 CO 0.07 -0.32 0.66 -0.76 0.00 0.00 0.00 175.10 174.75 3i4t s LEU 162 N 1.47 4.40 0.26 3.92 1.43 0.65 -2.27 118.68 128.54 3i4t s LEU 162 Ca 0.01 1.33 0.08 0.00 -1.03 0.00 0.00 54.13 54.52 3i4t s LEU 162 Cb -0.21 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3i4t s LEU 162 CO 0.04 0.12 0.12 -0.76 0.23 0.00 0.00 176.35 176.09 3i4t s LEU 163 N -1.72 3.55 0.60 1.79 1.43 -1.26 -1.14 118.68 121.93 3i4t s LEU 163 Ca 0.38 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 3i4t s LEU 163 Cb -0.17 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3i4t s LEU 163 CO 0.21 -0.03 1.04 -0.62 0.23 0.00 0.00 176.35 177.17 3i4t s ASP 164 N -3.78 5.96 -0.20 2.29 2.15 -0.92 -4.86 116.67 117.31 3i4t s ASP 164 Ca 0.33 1.66 -0.04 0.00 0.43 0.00 0.00 52.55 54.92 3i4t s ASP 164 Cb -0.07 -2.51 0.07 0.00 -0.30 0.00 0.00 42.92 40.11 3i4t s ASP 164 CO 0.23 -1.04 0.09 -0.63 -0.17 0.00 0.00 175.17 173.64 3i4t s ILE 165 N -2.71 0.04 -0.10 4.11 1.01 -1.26 -1.71 121.20 120.57 3i4t s ILE 165 Ca 0.60 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.78 3i4t s ILE 165 Cb -0.13 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 3i4t s ILE 165 CO 0.41 -0.36 0.25 -0.54 0.00 0.00 0.00 174.94 174.71 3i4t s LYS 166 N 2.07 3.83 -0.09 2.79 -0.14 -0.55 -4.96 119.74 122.69 3i4t s LYS 166 Ca 0.03 0.07 -0.01 0.00 -1.36 0.00 0.00 55.97 54.70 3i4t s LYS 166 Cb -0.16 -3.27 0.03 0.00 -1.68 0.00 0.00 37.83 32.74 3i4t s LYS 166 CO -0.14 0.59 -0.03 0.54 -0.76 0.00 0.00 175.35 175.54 3i4t s VAL 167 N -0.57 0.66 0.00 3.17 0.11 -1.26 -1.47 120.40 121.04 3i4t s VAL 167 Ca 0.17 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3i4t s VAL 167 Cb -0.13 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 3i4t s VAL 167 CO 0.06 0.30 0.00 0.29 -3.33 0.00 0.00 175.10 172.42 3i4t n LYS 168 N 5.06 0.00 0.00 1.54 4.01 -1.26 -5.10 118.16 122.40 3i4t n LYS 168 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 3i4t n LYS 168 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 3i4t n LYS 168 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3i4t n GLU 169 N -1.52 0.00 0.00 1.97 -0.58 -1.26 -4.94 120.64 114.30 3i4t n GLU 169 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i4t n GLU 169 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i4t n GLU 169 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3i4t n GLU 183 N 0.00 0.30 -2.07 3.49 0.00 -1.26 -5.31 120.64 115.79 3i4t n GLU 183 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 3i4t n GLU 183 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 31.44 31.33 3i4t n GLU 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3i4t s PRO 184 N -0.79 3.59 0.14 5.31 0.04 -1.26 -4.90 135.00 137.12 3i4t s PRO 184 Ca 0.00 1.99 -0.34 0.00 0.04 0.00 0.00 61.00 62.69 3i4t s PRO 184 Cb 0.00 -2.42 -0.14 0.00 0.04 0.00 0.00 34.50 31.98 3i4t s PRO 184 CO 0.00 -0.75 1.58 -2.30 0.04 0.00 0.00 177.00 175.57 3i4t n PRO 185 N -0.56 2.07 -3.73 0.56 -0.02 -1.26 -4.90 135.00 127.16 3i4t n PRO 185 Ca 0.08 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 3i4t n PRO 185 Cb 0.46 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 3i4t n PRO 185 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i4t s ARG 186 N 1.09 3.55 -0.20 -0.52 3.52 -0.54 -4.97 118.95 120.89 3i4t s ARG 186 Ca 0.80 -0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 55.74 3i4t s ARG 186 Cb -0.70 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.25 3i4t s ARG 186 CO 0.39 -0.26 0.16 0.71 -0.81 0.00 0.00 175.30 175.50 3i4t s TYR 187 N 1.61 3.41 0.37 5.12 2.02 -1.26 -1.49 117.35 127.13 3i4t s TYR 187 Ca 0.06 0.37 -0.27 0.00 -0.37 0.00 0.00 57.07 56.85 3i4t s TYR 187 Cb -0.16 -2.21 -0.10 0.00 -0.40 0.00 0.00 41.96 39.10 3i4t s TYR 187 CO 0.04 0.26 1.30 1.41 -1.57 0.00 0.00 175.55 176.98 3i4t s MET 188 N 0.46 4.18 0.26 -0.62 -2.45 -0.70 -5.02 119.30 115.41 3i4t s MET 188 Ca 0.10 2.17 0.01 0.00 -1.25 0.00 0.00 55.69 56.72 3i4t s MET 188 Cb -0.12 -2.92 -0.04 0.00 1.25 0.00 0.00 34.83 33.01 3i4t s MET 188 CO -0.00 -0.32 0.43 0.95 1.05 0.00 0.00 175.02 177.13 3i4t s THR 189 N -1.21 5.19 0.30 10.11 -4.23 -1.26 -4.56 115.64 119.99 3i4t s THR 189 Ca 0.53 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 3i4t s THR 189 Cb -0.38 -3.81 0.29 0.00 1.34 0.00 0.00 72.50 69.94 3i4t s THR 189 CO 0.50 -0.34 1.74 0.40 -0.54 0.00 0.00 174.62 176.38 3i4t h ILE 190 N 1.18 0.59 0.19 2.99 2.04 -1.93 0.03 117.51 122.60 3i4t h ILE 190 Ca -0.50 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3i4t h ILE 190 Cb 1.21 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3i4t h ILE 190 CO 0.64 0.11 -0.16 0.78 0.00 0.00 0.00 178.15 179.52 3i4t h ASN 191 N 0.59 -0.41 0.27 1.72 4.21 -1.82 0.13 115.58 120.27 3i4t h ASN 191 Ca 0.59 0.04 -0.07 0.00 1.21 0.00 0.00 56.30 58.06 3i4t h ASN 191 Cb 1.03 0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.36 3i4t h ASN 191 CO -0.45 -0.24 -0.31 1.56 -1.29 0.00 0.00 177.43 176.70 3i4t h GLN 192 N -0.36 0.07 0.15 0.81 4.20 -1.81 -1.27 115.11 116.91 3i4t h GLN 192 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3i4t h GLN 192 Cb 0.33 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3i4t h GLN 192 CO -0.02 0.38 -0.07 0.00 -0.67 0.00 0.00 178.83 178.45 3i4t h ILE 194 N -0.52 1.25 -0.12 0.00 2.04 -0.64 -1.56 117.51 117.96 3i4t h ILE 194 Ca -0.02 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3i4t h ILE 194 Cb 0.41 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3i4t h ILE 194 CO 0.03 0.31 -0.14 -0.08 0.00 0.00 0.00 178.15 178.27 3i4t h GLU 195 N 1.16 -0.17 -0.57 2.37 4.81 -1.25 -1.00 114.58 119.94 3i4t h GLU 195 Ca 0.28 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3i4t h GLU 195 Cb 0.13 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3i4t h GLU 195 CO -0.03 -0.11 0.24 0.37 -0.73 0.00 0.00 179.01 178.74 3i4t h GLN 196 N -0.17 0.84 -0.97 1.92 4.15 -1.15 -2.13 115.11 117.60 3i4t h GLN 196 Ca 0.09 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.38 3i4t h GLN 196 Cb 0.30 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 3i4t h GLN 196 CO -0.23 0.71 0.65 -0.07 -1.93 0.00 0.00 178.83 177.96 3i4t h LEU 197 N 0.77 1.12 -0.87 -2.39 3.38 -1.00 -0.95 115.31 115.37 3i4t h LEU 197 Ca 0.19 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3i4t h LEU 197 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3i4t h LEU 197 CO -0.02 0.81 -0.20 -0.07 0.09 0.00 0.00 178.44 179.05 3i4t h LEU 198 N 1.32 0.61 -0.42 1.67 3.38 -0.90 -1.66 115.31 119.31 3i4t h LEU 198 Ca 0.36 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 3i4t h LEU 198 Cb -0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 3i4t h LEU 198 CO -0.08 0.81 -0.61 -0.08 0.09 0.00 0.00 178.44 178.58 3i4t h GLU 199 N 0.55 0.61 -0.49 1.13 4.81 -0.88 -2.06 114.58 118.25 3i4t h GLU 199 Ca 0.08 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 3i4t h GLU 199 Cb 0.64 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3i4t h GLU 199 CO 0.05 1.03 -0.07 0.28 -0.73 0.00 0.00 179.01 179.57 3i4t h VAL 200 N 0.45 1.27 -0.71 0.32 2.07 -1.07 -1.73 116.25 116.86 3i4t h VAL 200 Ca -0.00 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 3i4t h VAL 200 Cb 1.18 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3i4t h VAL 200 CO 0.12 0.41 0.16 -0.08 0.02 0.00 0.00 177.57 178.20 3i4t h GLU 201 N 0.76 1.14 -0.75 1.57 4.57 -1.24 0.11 114.58 120.75 3i4t h GLU 201 Ca 0.13 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3i4t h GLU 201 Cb 0.61 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3i4t h GLU 201 CO 0.04 1.01 0.45 -0.22 -1.18 0.00 0.00 179.01 179.11 3i4t h LYS 202 N 1.08 1.01 0.00 1.92 3.64 -1.25 0.81 116.57 123.78 3i4t h LYS 202 Ca 0.22 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 3i4t h LYS 202 Cb 0.40 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3i4t h LYS 202 CO 0.01 0.71 -0.82 0.93 -2.27 0.00 0.00 179.45 178.01 3i4t h GLU 203 N 1.02 0.00 0.00 1.90 5.08 -0.94 -3.36 114.58 118.28 3i4t h GLU 203 Ca 0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3i4t h GLU 203 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3i4t h GLU 203 CO -0.05 0.82 -1.66 0.94 -1.00 0.00 0.00 179.01 178.07 3i4t n GLN 204 N -3.48 0.95 -4.35 2.33 7.27 0.35 -5.04 117.38 115.41 3i4t n GLN 204 Ca -0.00 -0.08 -0.33 0.00 0.07 0.00 0.00 57.00 56.66 3i4t n GLN 204 Cb 0.81 -1.30 -0.10 0.00 2.41 0.00 0.00 30.24 32.06 3i4t n GLN 204 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 3i4t n HIS 205 N -2.11 -1.23 1.30 3.69 1.44 0.28 -4.86 115.22 113.74 3i4t n HIS 205 Ca -0.08 0.62 0.13 0.00 -2.01 0.00 0.00 57.72 56.39 3i4t n HIS 205 Cb 0.51 -2.59 0.46 0.00 0.12 0.00 0.00 29.99 28.50 3i4t n HIS 205 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i4t n LEU 206 N -4.45 0.84 -0.92 2.39 4.77 -1.26 -4.96 117.00 113.41 3i4t n LEU 206 Ca -0.24 -0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 55.51 3i4t n LEU 206 Cb 0.64 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3i4t n LEU 206 CO 0.87 0.16 -0.02 0.61 -1.33 0.00 0.00 177.39 177.67 3i4t n GLY 207 N 1.32 0.29 0.13 -0.72 0.00 -1.26 -4.97 105.19 99.97 3i4t n GLY 207 Ca 0.13 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 3i4t n GLY 207 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i4t h VAL 208 N -0.28 1.43 -3.93 1.61 2.07 -1.96 -3.47 116.25 111.73 3i4t h VAL 208 Ca -0.14 -1.82 -0.11 0.00 0.82 0.00 0.00 66.70 65.45 3i4t h VAL 208 Cb 1.10 2.41 -0.11 0.00 -1.52 0.00 0.00 31.29 33.18 3i4t h VAL 208 CO 0.16 0.52 -0.26 -0.72 0.02 0.00 0.00 177.57 177.29 3i4t s TYR 209 N -3.51 0.60 0.26 1.57 -0.85 -1.26 -5.01 117.35 109.14 3i4t s TYR 209 Ca -0.14 -0.92 -0.08 0.00 -0.52 0.00 0.00 57.07 55.41 3i4t s TYR 209 Cb 0.03 -0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.33 3i4t s TYR 209 CO 0.78 -0.89 0.39 0.16 -1.52 0.00 0.00 175.55 174.47 3i4t s ASP 210 N -3.06 0.16 0.06 -0.18 -4.77 -1.26 -4.99 116.67 102.63 3i4t s ASP 210 Ca 0.27 -1.15 0.01 0.00 -3.30 0.00 0.00 52.55 48.39 3i4t s ASP 210 Cb 0.02 0.55 0.16 0.00 -1.09 0.00 0.00 42.92 42.56 3i4t s ASP 210 CO 0.10 -1.10 0.27 1.21 0.70 0.00 0.00 175.17 176.35 3i4t n GLU 211 N -0.39 -0.01 -0.05 2.11 2.13 -1.26 0.62 120.64 123.78 3i4t n GLU 211 Ca -0.00 0.25 0.12 0.00 0.66 0.00 0.00 57.16 58.19 3i4t n GLU 211 Cb 0.63 -0.41 0.29 0.00 0.27 0.00 0.00 31.44 32.22 3i4t n GLU 211 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3i4t n ASP 212 N -3.81 2.41 -4.71 4.31 8.00 -1.26 -1.39 116.55 120.11 3i4t n ASP 212 Ca 0.05 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.32 3i4t n ASP 212 Cb 0.16 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3i4t n ASP 212 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i4t s THR 213 N -1.87 3.16 -0.20 -3.53 2.01 0.20 -4.72 115.64 110.70 3i4t s THR 213 Ca 0.34 0.78 -0.29 0.00 0.31 0.00 0.00 61.69 62.82 3i4t s THR 213 Cb 0.20 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.22 3i4t s THR 213 CO 0.31 0.04 1.07 -0.04 -0.69 0.00 0.00 174.62 175.31 3i4t s MET 214 N 1.51 4.28 0.32 4.92 -1.94 -1.26 -2.01 119.30 125.12 3i4t s MET 214 Ca 0.67 1.41 0.03 0.00 -1.71 0.00 0.00 55.69 56.10 3i4t s MET 214 Cb -0.38 -3.64 -0.04 0.00 2.01 0.00 0.00 34.83 32.78 3i4t s MET 214 CO 0.30 -0.59 0.13 0.14 -0.01 0.00 0.00 175.02 174.99 3i4t s VAL 215 N 3.05 0.56 -0.23 -6.03 -7.23 0.48 -4.50 120.40 106.50 3i4t s VAL 215 Ca 0.46 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3i4t s VAL 215 Cb -0.17 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.29 3i4t s VAL 215 CO 0.09 0.00 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.10 3i4t s VAL 216 N -3.49 1.85 -0.02 1.32 1.01 -0.52 -1.23 120.40 119.32 3i4t s VAL 216 Ca 0.33 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 3i4t s VAL 216 Cb 0.05 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3i4t s VAL 216 CO 0.16 0.02 0.62 -0.83 0.00 0.00 0.00 175.10 175.07 3i4t s GLY 217 N 1.27 2.61 -0.05 4.51 0.00 0.17 -0.67 107.32 115.16 3i4t s GLY 217 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.73 3i4t s GLY 217 CO -0.06 0.86 -0.05 1.06 0.00 0.00 0.00 173.10 174.91 3i4t s MET 218 N 0.06 0.92 -0.03 2.90 -1.94 -0.28 -1.28 119.30 119.64 3i4t s MET 218 Ca 0.32 -0.12 0.05 0.00 -1.71 0.00 0.00 55.69 54.24 3i4t s MET 218 Cb -0.18 -0.93 -0.01 0.00 2.01 0.00 0.00 34.83 35.71 3i4t s MET 218 CO 0.17 -0.10 -0.19 0.00 -0.01 0.00 0.00 175.02 174.89 3i4t s ALA 219 N 1.03 1.67 -1.28 3.03 0.00 0.30 -1.13 121.76 125.38 3i4t s ALA 219 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 3i4t s ALA 219 Cb -0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 3i4t s ALA 219 CO -0.00 0.36 0.75 0.54 0.00 0.00 0.00 175.76 177.40 3i4t n ARG 220 N 2.86 -5.00 -1.69 0.00 1.74 -0.12 -1.02 116.66 113.43 3i4t n ARG 220 Ca -0.17 0.66 -0.44 0.00 -0.77 0.00 0.00 57.85 57.13 3i4t n ARG 220 Cb 0.53 -5.27 -0.03 0.00 -1.02 0.00 0.00 32.46 26.67 3i4t n ARG 220 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i4t n VAL 221 N -4.22 0.59 -0.95 1.55 0.31 -1.26 -1.52 118.33 112.83 3i4t n VAL 221 Ca -0.29 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 3i4t n VAL 221 Cb 0.67 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 3i4t n VAL 221 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4t n ALA 222 N 2.60 0.00 -2.53 3.52 0.00 -1.26 -4.79 120.51 118.05 3i4t n ALA 222 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 3i4t n ALA 222 Cb 0.32 -0.58 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 3i4t n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4t h ALA 224 N 0.71 1.36 -0.90 0.00 0.00 -1.95 -2.61 119.26 115.87 3i4t h ALA 224 Ca -0.48 -0.06 -0.49 0.00 0.00 0.00 0.00 54.91 53.88 3i4t h ALA 224 Cb 1.24 -0.36 -0.28 0.00 0.00 0.00 0.00 17.79 18.39 3i4t h ALA 224 CO 0.58 0.58 0.63 -0.40 0.00 0.00 0.00 179.25 180.63 3i4t n ASP 225 N -4.41 4.28 -4.61 0.00 5.75 -1.26 -4.98 116.55 111.32 3i4t n ASP 225 Ca 0.11 -3.48 -0.46 0.00 -0.01 0.00 0.00 54.79 50.94 3i4t n ASP 225 Cb 0.04 -0.84 -0.03 0.00 -1.03 0.00 0.00 41.12 39.27 3i4t n ASP 225 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3i4t n GLN 226 N -0.94 1.44 -4.51 0.11 7.27 -0.98 -4.85 117.38 114.92 3i4t n GLN 226 Ca 0.55 0.51 -0.25 0.00 0.07 0.00 0.00 57.00 57.88 3i4t n GLN 226 Cb 1.42 -2.01 -0.17 0.00 2.41 0.00 0.00 30.24 31.90 3i4t n GLN 226 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3i4t s LYS 227 N -0.78 1.66 -0.09 3.69 2.47 -0.19 -5.01 119.74 121.49 3i4t s LYS 227 Ca 0.67 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 3i4t s LYS 227 Cb -0.75 -1.41 0.02 0.00 -1.46 0.00 0.00 37.83 34.23 3i4t s LYS 227 CO 0.54 -0.00 -0.09 0.42 0.16 0.00 0.00 175.35 176.38 3i4t s ILE 228 N 0.77 1.00 -0.07 5.43 1.01 -1.26 -0.54 121.20 127.54 3i4t s ILE 228 Ca -0.13 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3i4t s ILE 228 Cb -0.15 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.34 3i4t s ILE 228 CO 0.02 0.35 -0.15 -0.69 0.00 0.00 0.00 174.94 174.48 3i4t s VAL 229 N 1.33 1.32 -0.25 2.92 1.01 -0.41 -4.74 120.40 121.58 3i4t s VAL 229 Ca -0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3i4t s VAL 229 Cb -0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3i4t s VAL 229 CO -0.04 0.40 0.02 -0.47 0.00 0.00 0.00 175.10 175.01 3i4t s TYR 230 N 0.57 3.05 0.02 5.22 5.04 0.46 -0.65 117.35 131.06 3i4t s TYR 230 Ca -0.15 -0.81 -0.22 0.00 -2.44 0.00 0.00 57.07 53.45 3i4t s TYR 230 Cb -0.16 -2.18 0.07 0.00 0.35 0.00 0.00 41.96 40.04 3i4t s TYR 230 CO 0.05 -0.50 1.00 0.41 -1.34 0.00 0.00 175.55 175.16 3i4t n GLY 231 N 4.85 0.38 3.76 8.97 0.00 -0.37 -1.01 105.19 121.77 3i4t n GLY 231 Ca -0.17 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3i4t n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4t s LYS 232 N -2.02 2.96 0.25 1.61 1.02 -1.26 -0.39 119.74 121.92 3i4t s LYS 232 Ca 0.23 1.76 -0.04 0.00 0.02 0.00 0.00 55.97 57.94 3i4t s LYS 232 Cb -0.01 -1.94 0.39 0.00 -0.52 0.00 0.00 37.83 35.75 3i4t s LYS 232 CO 0.01 -1.20 1.84 0.52 -0.92 0.00 0.00 175.35 175.60 3i4t h MET 233 N 0.79 0.92 0.00 1.68 2.86 -0.86 -0.02 114.93 120.30 3i4t h MET 233 Ca -0.50 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.03 3i4t h MET 233 Cb 1.29 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3i4t h MET 233 CO 0.55 0.61 -0.27 1.57 1.06 0.00 0.00 176.91 180.43 3i4t h LYS 234 N 0.95 0.00 0.16 1.72 2.10 -1.55 -0.19 116.57 119.75 3i4t h LYS 234 Ca 0.40 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.73 3i4t h LYS 234 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 3i4t h LYS 234 CO -0.21 0.27 -1.56 -0.44 -2.00 0.00 0.00 179.45 175.51 3i4t h ASP 235 N 0.00 0.52 0.96 7.07 3.32 -1.63 -3.35 116.42 123.31 3i4t h ASP 235 Ca -0.00 -0.69 -0.17 0.00 0.02 0.00 0.00 57.03 56.19 3i4t h ASP 235 Cb 0.60 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3i4t h ASP 235 CO 0.04 1.57 -0.81 -0.07 -1.72 0.00 0.00 179.24 178.25 3i4t h LEU 236 N 0.09 0.00 -1.63 1.55 4.07 -0.90 -3.15 115.31 115.34 3i4t h LEU 236 Ca -0.26 0.00 0.43 0.00 0.08 0.00 0.00 57.88 58.12 3i4t h LEU 236 Cb 2.06 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 43.70 3i4t h LEU 236 CO 0.19 0.81 0.95 0.25 -1.08 0.00 0.00 178.44 179.55 3i4t h LEU 237 N 0.00 0.18 -1.44 1.67 5.85 -1.16 -2.16 115.31 118.25 3i4t h LEU 237 Ca -0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i4t h LEU 237 Cb 1.50 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3i4t h LEU 237 CO 0.10 -0.08 0.00 1.41 -0.34 0.00 0.00 178.44 179.54 3i4t n HIS 238 N -4.44 0.03 -2.38 1.25 8.25 -1.21 -4.64 115.22 112.08 3i4t n HIS 238 Ca 0.35 -0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 57.33 3i4t n HIS 238 Cb 1.45 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 32.52 3i4t n HIS 238 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3i4t s TYR 239 N -0.46 3.44 -0.42 4.41 5.04 -0.81 -5.00 117.35 123.55 3i4t s TYR 239 Ca 0.06 1.53 -0.23 0.00 -2.44 0.00 0.00 57.07 55.98 3i4t s TYR 239 Cb 0.04 -3.41 0.02 0.00 0.35 0.00 0.00 41.96 38.96 3i4t s TYR 239 CO 0.06 -1.03 0.79 0.34 -1.34 0.00 0.00 175.55 174.36 3i4t s ASP 240 N -0.33 6.47 0.00 4.32 2.15 -1.26 -4.84 116.67 123.17 3i4t s ASP 240 Ca 0.49 0.08 0.23 0.00 0.43 0.00 0.00 52.55 53.78 3i4t s ASP 240 Cb -0.33 -2.39 0.18 0.00 -0.30 0.00 0.00 42.92 40.07 3i4t s ASP 240 CO 0.40 -0.85 1.20 0.49 -0.17 0.00 0.00 175.17 176.24 3i4t n PHE 241 N 6.63 0.00 -3.36 -5.34 3.72 -1.26 -5.08 117.46 112.77 3i4t n PHE 241 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3i4t n PHE 241 Cb 0.48 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3i4t n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i4t n GLY 242 N 1.42 -0.68 3.79 1.37 0.00 -1.26 -4.86 105.19 104.97 3i4t n GLY 242 Ca 0.09 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 3i4t n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4t s ALA 243 N -1.16 2.73 1.13 4.61 0.00 -1.26 -5.04 121.76 122.77 3i4t s ALA 243 Ca 0.00 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 3i4t s ALA 243 Cb 0.00 -3.29 0.27 0.00 0.00 0.00 0.00 23.12 20.10 3i4t s ALA 243 CO 0.00 -0.70 1.04 -1.25 0.00 0.00 0.00 175.76 174.85 3i4t s PRO 244 N -3.58 -0.67 0.22 0.00 0.04 -1.26 -4.58 135.00 125.17 3i4t s PRO 244 Ca 0.68 0.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.34 3i4t s PRO 244 Cb -0.19 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 3i4t s PRO 244 CO 0.29 -3.55 0.67 1.41 0.04 0.00 0.00 177.00 175.87 3i4t s MET 245 N -4.55 4.12 0.16 4.56 1.75 -1.26 -4.72 119.30 119.36 3i4t s MET 245 Ca 0.68 0.71 0.09 0.00 -1.25 0.00 0.00 55.69 55.92 3i4t s MET 245 Cb -0.24 -2.80 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 3i4t s MET 245 CO 0.63 0.37 -0.13 -1.01 -0.65 0.00 0.00 175.02 174.23 3i4t s HIS 246 N -1.60 2.58 0.22 4.11 3.76 -1.26 -0.94 115.29 122.15 3i4t s HIS 246 Ca 0.44 -0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 54.96 3i4t s HIS 246 Cb -0.15 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.26 3i4t s HIS 246 CO 0.20 0.48 0.49 0.00 -0.85 0.00 0.00 174.74 175.05 3i4t s LEU 248 N -2.95 2.07 -0.16 0.00 2.96 -0.96 -1.13 118.68 118.50 3i4t s LEU 248 Ca 0.16 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3i4t s LEU 248 Cb -0.01 -1.01 -0.00 0.00 0.50 0.00 0.00 46.19 45.67 3i4t s LEU 248 CO 0.03 0.23 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.40 3i4t s LEU 249 N -0.62 2.61 -0.45 -0.68 1.43 0.16 -0.25 118.68 120.88 3i4t s LEU 249 Ca 0.08 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3i4t s LEU 249 Cb -0.08 -1.61 0.11 0.00 0.03 0.00 0.00 46.19 44.64 3i4t s LEU 249 CO -0.00 0.08 0.30 -0.63 0.23 0.00 0.00 176.35 176.33 3i4t s ILE 250 N 0.87 4.06 0.74 -0.59 1.01 0.09 -1.43 121.20 125.94 3i4t s ILE 250 Ca -0.04 -1.74 -0.15 0.00 0.00 0.00 0.00 60.65 58.72 3i4t s ILE 250 Cb -0.15 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.71 3i4t s ILE 250 CO -0.00 -0.70 1.15 -2.65 0.00 0.00 0.00 174.94 172.74 3i4t n PRO 251 N 4.86 0.51 -0.87 2.79 -0.02 -1.26 -0.46 135.00 140.55 3i4t n PRO 251 Ca -0.08 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.32 3i4t n PRO 251 Cb 0.41 -2.40 0.14 0.00 -0.02 0.00 0.00 33.50 31.64 3i4t n PRO 251 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i4t n ALA 252 N -2.72 -0.95 0.12 3.55 0.00 -1.24 -4.78 120.51 114.49 3i4t n ALA 252 Ca 0.14 -0.47 0.19 0.00 0.00 0.00 0.00 53.44 53.29 3i4t n ALA 252 Cb 0.49 -2.11 0.76 0.00 0.00 0.00 0.00 19.45 18.59 3i4t n ALA 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i4t h PRO 253 N -1.42 0.00 -5.26 0.00 0.11 -1.87 -3.38 132.00 120.19 3i4t h PRO 253 Ca -0.44 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.00 3i4t h PRO 253 Cb 1.29 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.09 3i4t h PRO 253 CO 0.41 0.00 -0.83 1.14 -0.21 0.00 0.00 178.00 178.52 3i4t s GLN 254 N -4.75 3.18 -0.13 1.05 1.03 -1.26 -5.10 119.66 113.67 3i4t s GLN 254 Ca -0.05 -0.79 -0.01 0.00 0.04 0.00 0.00 55.36 54.55 3i4t s GLN 254 Cb 0.17 -2.51 -0.02 0.00 0.03 0.00 0.00 33.01 30.68 3i4t s GLN 254 CO 0.60 0.10 -0.09 0.08 -2.54 0.00 0.00 175.29 173.44 3i4t s VAL 255 N 0.58 3.39 0.54 3.63 1.01 -1.26 -5.01 120.40 123.28 3i4t s VAL 255 Ca -0.11 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 3i4t s VAL 255 Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3i4t s VAL 255 CO 0.03 0.52 1.29 -1.81 0.00 0.00 0.00 175.10 175.14 3i4t s ASP 256 N 0.23 5.40 0.22 3.32 1.01 -1.26 -4.80 116.67 120.79 3i4t s ASP 256 Ca -0.06 2.61 -0.10 0.00 0.71 0.00 0.00 52.55 55.71 3i4t s ASP 256 Cb -0.15 -2.62 0.32 0.00 1.01 0.00 0.00 42.92 41.48 3i4t s ASP 256 CO 0.04 -1.47 1.68 0.44 0.21 0.00 0.00 175.17 176.07 3i4t h ASP 257 N 1.44 -0.16 -0.07 0.27 3.32 -1.98 -0.06 116.42 119.19 3i4t h ASP 257 Ca -0.51 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 3i4t h ASP 257 Cb 1.29 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 3i4t h ASP 257 CO 0.57 -0.07 -0.01 -0.65 -1.72 0.00 0.00 179.24 177.36 3i4t h PRO 258 N 0.17 0.23 -0.17 3.56 0.11 -1.98 -0.24 132.00 133.69 3i4t h PRO 258 Ca 0.33 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.36 3i4t h PRO 258 Cb 0.54 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3i4t h PRO 258 CO -0.49 0.26 -0.12 0.93 -0.21 0.00 0.00 178.00 178.37 3i4t h GLU 259 N 0.23 0.37 -0.96 1.05 5.08 -1.45 -3.01 114.58 115.89 3i4t h GLU 259 Ca 0.05 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3i4t h GLU 259 Cb 0.18 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3i4t h GLU 259 CO 0.00 0.71 0.62 -0.07 -1.00 0.00 0.00 179.01 179.28 3i4t h LEU 260 N 0.03 1.01 -1.45 1.33 3.38 -0.69 -1.52 115.31 117.40 3i4t h LEU 260 Ca 0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3i4t h LEU 260 Cb 0.62 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3i4t h LEU 260 CO 0.03 0.66 0.41 0.44 0.09 0.00 0.00 178.44 180.07 3i4t h ASP 261 N 1.15 0.62 0.21 -0.43 3.32 -0.96 -1.82 116.42 118.51 3i4t h ASP 261 Ca 0.41 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 57.12 3i4t h ASP 261 Cb 0.11 -0.14 0.04 0.00 0.22 0.00 0.00 39.33 39.56 3i4t h ASP 261 CO -0.16 0.43 -1.40 1.56 -1.72 0.00 0.00 179.24 177.95 3i4t h GLN 262 N 0.72 0.58 -0.30 3.56 1.08 -1.26 -3.30 115.11 116.19 3i4t h GLN 262 Ca 0.25 -0.90 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 3i4t h GLN 262 Cb 0.09 0.32 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3i4t h GLN 262 CO -0.07 1.42 0.19 -0.07 -0.95 0.00 0.00 178.83 179.35 3i4t h LEU 263 N 0.20 0.35 -1.80 1.46 3.38 -0.95 -2.80 115.31 115.14 3i4t h LEU 263 Ca -0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3i4t h LEU 263 Cb 2.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3i4t h LEU 263 CO 0.26 0.26 0.06 -0.08 0.09 0.00 0.00 178.44 179.03 3i4t h GLU 264 N 0.41 0.18 0.00 1.13 4.57 -1.41 0.67 114.58 120.13 3i4t h GLU 264 Ca 0.11 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3i4t h GLU 264 Cb -0.03 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3i4t h GLU 264 CO -0.02 0.15 0.15 1.88 -1.18 0.00 0.00 179.01 179.99 3i4t h TYR 265 N 0.19 0.00 -0.13 0.92 0.05 -1.66 -2.08 116.97 114.25 3i4t h TYR 265 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3i4t h TYR 265 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 3i4t h TYR 265 CO 0.00 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.30 3i4t n PHE 266 N -2.72 0.19 -1.65 4.88 3.72 0.22 -5.05 117.46 117.05 3i4t n PHE 266 Ca -0.02 -0.51 -0.45 0.00 -0.05 0.00 0.00 57.45 56.42 3i4t n PHE 266 Cb 0.20 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3i4t n PHE 266 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3i4t n LYS 267 N -0.14 1.80 -2.35 -1.08 3.00 -0.78 -0.40 118.16 118.21 3i4t n LYS 267 Ca 0.05 0.64 -0.41 0.00 -0.00 0.00 0.00 58.31 58.59 3i4t n LYS 267 Cb 0.33 -2.20 -0.03 0.00 0.00 0.00 0.00 35.03 33.12 3i4t n LYS 267 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3i4t s TYR 268 N -0.49 3.40 0.05 5.64 5.04 -0.18 -4.80 117.35 126.02 3i4t s TYR 268 Ca 0.64 1.53 -0.19 0.00 -2.44 0.00 0.00 57.07 56.61 3i4t s TYR 268 Cb -0.67 -3.43 0.04 0.00 0.35 0.00 0.00 41.96 38.25 3i4t s TYR 268 CO 0.55 -1.09 0.44 0.15 -1.34 0.00 0.00 175.55 174.25 3i4t s LYS 269 N -1.09 0.97 0.00 4.97 3.01 -1.26 -5.04 119.74 121.29 3i4t s LYS 269 Ca 0.49 -0.37 0.24 0.00 -1.01 0.00 0.00 55.97 55.32 3i4t s LYS 269 Cb -0.34 0.43 0.20 0.00 -1.01 0.00 0.00 37.83 37.12 3i4t s LYS 269 CO 0.42 -0.34 1.27 -0.35 0.51 0.00 0.00 175.35 176.86