#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n PHE 2 N 0.00 0.00 -3.92 1.12 3.01 -1.26 -4.94 117.46 111.47 3i4m n PHE 2 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 3i4m n PHE 2 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3i4m n PHE 2 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3i4m s PHE 3 N 0.00 2.18 -0.26 1.38 0.40 0.72 -4.93 117.98 117.47 3i4m s PHE 3 Ca 0.00 -0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 55.61 3i4m s PHE 3 Cb 0.00 -1.97 0.09 0.00 0.51 0.00 0.00 43.02 41.64 3i4m s PHE 3 CO 0.00 -0.16 0.09 0.42 0.70 0.00 0.00 175.22 176.26 3i4m s ILE 4 N -2.66 0.45 0.21 0.64 1.01 -1.26 0.03 121.20 119.63 3i4m s ILE 4 Ca 0.38 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 60.17 3i4m s ILE 4 Cb -0.00 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3i4m s ILE 4 CO 0.22 -0.54 0.23 -0.75 0.00 0.00 0.00 174.94 174.10 3i4m s LYS 5 N 1.85 3.10 -0.34 2.79 2.47 -0.99 -4.92 119.74 123.70 3i4m s LYS 5 Ca 0.06 -0.88 -0.13 0.00 -1.56 0.00 0.00 55.97 53.46 3i4m s LYS 5 Cb -0.17 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 33.48 3i4m s LYS 5 CO -0.23 0.45 0.24 -0.51 0.16 0.00 0.00 175.35 175.46 3i4m s ASP 6 N -3.59 6.04 0.00 1.43 1.01 -1.26 -2.33 116.67 117.97 3i4m s ASP 6 Ca 0.33 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.14 3i4m s ASP 6 Cb -0.09 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3i4m s ASP 6 CO 0.26 -0.24 0.00 0.18 0.21 0.00 0.00 175.17 175.58 3i4m n LEU 7 N 5.10 0.00 0.00 1.23 4.77 -0.26 -4.98 117.00 122.87 3i4m n LEU 7 Ca -0.13 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.83 3i4m n LEU 7 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3i4m n LEU 7 CO 0.37 -0.06 0.04 -1.54 -1.33 0.00 0.00 177.39 174.87 3i4m n SER 8 N -0.98 -0.28 0.00 -1.43 3.41 -1.26 -1.79 113.62 111.29 3i4m n SER 8 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3i4m n SER 8 Cb 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3i4m n SER 8 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3i4m n LEU 9 N 0.00 0.00 -4.62 1.04 7.94 -0.90 -4.85 117.00 115.61 3i4m n LEU 9 Ca -0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 3i4m n LEU 9 Cb 0.11 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.04 3i4m n LEU 9 CO 0.06 0.00 1.51 0.20 -1.11 0.00 0.00 177.39 178.05 3i4m s ASN 10 N 0.00 6.10 -0.07 1.96 0.01 -1.26 -2.58 114.94 119.11 3i4m s ASN 10 Ca 0.00 1.66 0.03 0.00 -0.71 0.00 0.00 52.86 53.83 3i4m s ASN 10 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 3i4m s ASN 10 CO 0.00 -1.48 -0.14 -0.63 -1.51 0.00 0.00 177.10 173.34 3i4m s ILE 11 N 6.12 3.10 -0.20 0.60 1.01 0.89 -4.91 121.20 127.80 3i4m s ILE 11 Ca 0.80 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 3i4m s ILE 11 Cb -0.27 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3i4m s ILE 11 CO 0.33 0.58 0.08 -0.89 0.00 0.00 0.00 174.94 175.04 3i4m s THR 12 N -0.50 4.86 0.07 2.92 2.01 -1.26 -0.39 115.64 123.34 3i4m s THR 12 Ca 0.07 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.11 3i4m s THR 12 Cb -0.12 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3i4m s THR 12 CO 0.02 0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.13 3i4m s LEU 13 N 0.64 3.38 0.34 4.42 0.20 0.12 -4.91 118.68 122.87 3i4m s LEU 13 Ca 0.04 -0.17 -0.26 0.00 0.69 0.00 0.00 54.13 54.44 3i4m s LEU 13 Cb -0.13 -2.07 -0.10 0.00 -0.43 0.00 0.00 46.19 43.46 3i4m s LEU 13 CO 0.01 0.21 0.97 -2.28 -0.29 0.00 0.00 176.35 174.97 3i4m s HIS 14 N -1.22 3.59 0.09 5.38 5.65 -1.26 -1.17 115.29 126.35 3i4m s HIS 14 Ca 0.23 1.75 0.30 0.00 0.25 0.00 0.00 55.06 57.58 3i4m s HIS 14 Cb -0.12 -2.97 1.61 0.00 -1.18 0.00 0.00 32.58 29.92 3i4m s HIS 14 CO 0.15 0.01 1.91 -1.35 -0.65 0.00 0.00 174.74 174.81 3i4m h PRO 15 N 3.02 0.00 0.12 2.88 0.11 -1.92 -1.72 132.00 134.48 3i4m h PRO 15 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i4m h PRO 15 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3i4m h PRO 15 CO 0.64 0.00 -0.28 1.03 -0.21 0.00 0.00 178.00 179.18 3i4m h SER 16 N 0.00 -0.83 0.00 -2.05 0.87 -1.96 -1.50 113.55 108.08 3i4m h SER 16 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3i4m h SER 16 Cb 0.01 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3i4m h SER 16 CO 0.00 -0.31 0.00 0.49 -0.53 0.00 0.00 176.83 176.48 3i4m n PHE 17 N -4.05 0.00 -0.92 2.24 0.99 -0.65 -4.36 117.46 110.72 3i4m n PHE 17 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.21 3i4m n PHE 17 Cb 0.23 -0.01 -0.09 0.00 -1.00 0.00 0.00 39.48 38.60 3i4m n PHE 17 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i4m n PHE 18 N -0.20 0.78 -0.71 1.38 3.01 -0.57 -4.61 117.46 116.55 3i4m n PHE 18 Ca 0.00 -1.78 0.00 0.00 1.01 0.00 0.00 57.45 56.68 3i4m n PHE 18 Cb 0.04 -1.68 0.00 0.00 -0.01 0.00 0.00 39.48 37.82 3i4m n PHE 18 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i4m n GLY 19 N 3.02 1.94 0.08 1.37 0.00 -1.26 -5.04 105.19 105.29 3i4m n GLY 19 Ca 0.47 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 3i4m n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4m n PRO 20 N 0.00 0.67 -1.56 1.61 -0.04 -1.26 -4.25 135.00 130.17 3i4m n PRO 20 Ca 0.00 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 3i4m n PRO 20 Cb 0.00 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 3i4m n PRO 20 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i4m n ARG 21 N -2.73 2.49 -0.02 0.54 1.74 -1.26 -4.48 116.66 112.94 3i4m n ARG 21 Ca -0.23 -2.51 -0.00 0.00 -0.77 0.00 0.00 57.85 54.33 3i4m n ARG 21 Cb 1.01 -2.17 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3i4m n ARG 21 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3i4m h MET 22 N 3.03 0.00 -0.98 5.56 4.05 -1.82 -1.81 114.93 122.96 3i4m h MET 22 Ca 0.42 0.00 0.27 0.00 -0.28 0.00 0.00 59.70 60.11 3i4m h MET 22 Cb 0.63 0.00 -0.18 0.00 -0.80 0.00 0.00 31.60 31.24 3i4m h MET 22 CO 0.96 0.00 0.03 -0.22 0.23 0.00 0.00 176.91 177.91 3i4m h LYS 23 N -0.32 0.01 0.13 0.39 3.64 -1.93 0.80 116.57 119.29 3i4m h LYS 23 Ca 0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3i4m h LYS 23 Cb 0.05 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3i4m h LYS 23 CO 0.00 0.01 -0.47 0.37 -2.27 0.00 0.00 179.45 177.09 3i4m h GLN 24 N 0.01 -0.65 -0.15 1.90 5.75 -1.86 0.06 115.11 120.17 3i4m h GLN 24 Ca 0.59 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 59.13 3i4m h GLN 24 Cb 1.22 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 3i4m h GLN 24 CO -0.91 -0.44 0.07 -0.92 -2.65 0.00 0.00 178.83 173.99 3i4m h TYR 25 N -0.68 0.21 -0.18 3.99 3.20 0.12 -2.54 116.97 121.09 3i4m h TYR 25 Ca -0.01 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3i4m h TYR 25 Cb 0.67 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3i4m h TYR 25 CO -0.42 0.25 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.08 3i4m h LEU 26 N 0.12 -0.66 -0.79 2.82 3.38 0.42 0.27 115.31 120.86 3i4m h LEU 26 Ca 0.05 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.24 3i4m h LEU 26 Cb 0.11 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.00 3i4m h LEU 26 CO -0.01 -0.13 -0.36 0.11 0.09 0.00 0.00 178.44 178.15 3i4m h LYS 27 N -0.11 -0.08 -0.92 1.13 1.57 -0.97 1.23 116.57 118.41 3i4m h LYS 27 Ca 0.03 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.04 3i4m h LYS 27 Cb 0.19 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3i4m h LYS 27 CO -0.23 -0.05 0.62 1.15 -0.57 0.00 0.00 179.45 180.36 3i4m h THR 28 N -0.08 0.63 0.05 -0.16 2.02 -0.66 -0.25 112.91 114.46 3i4m h THR 28 Ca 0.29 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3i4m h THR 28 Cb 0.57 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3i4m h THR 28 CO -0.83 0.06 -0.02 0.50 0.37 0.00 0.00 175.52 175.59 3i4m h LYS 29 N 0.31 -0.06 -0.81 6.66 1.63 0.48 -2.52 116.57 122.25 3i4m h LYS 29 Ca 0.48 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 60.46 3i4m h LYS 29 Cb 1.34 0.01 -0.15 0.00 -0.60 0.00 0.00 32.23 32.84 3i4m h LYS 29 CO -0.15 0.57 -0.08 1.25 -3.45 0.00 0.00 179.45 177.58 3i4m h LEU 30 N -0.83 -0.55 -1.46 5.20 5.85 0.29 1.17 115.31 124.99 3i4m h LEU 30 Ca -0.01 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3i4m h LEU 30 Cb 0.66 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3i4m h LEU 30 CO 0.01 -0.24 0.29 -0.07 -0.34 0.00 0.00 178.44 178.09 3i4m h LEU 31 N 0.04 0.58 -0.43 2.25 3.38 -1.11 -1.68 115.31 118.34 3i4m h LEU 31 Ca 0.43 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.26 3i4m h LEU 31 Cb 0.74 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3i4m h LEU 31 CO -0.78 0.45 -0.17 -0.33 0.09 0.00 0.00 178.44 177.70 3i4m h GLU 32 N 0.67 0.87 -0.81 1.13 5.08 0.17 -2.71 114.58 118.98 3i4m h GLU 32 Ca 0.18 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3i4m h GLU 32 Cb -0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3i4m h GLU 32 CO -0.03 1.01 0.03 0.39 -1.00 0.00 0.00 179.01 179.40 3i4m n GLU 33 N -4.23 2.83 0.13 2.33 1.02 0.24 -4.61 120.64 118.35 3i4m n GLU 33 Ca -0.01 -1.56 0.00 0.00 -0.02 0.00 0.00 57.16 55.57 3i4m n GLU 33 Cb 0.42 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3i4m n GLU 33 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i4m n VAL 34 N 0.26 0.00 -1.54 2.62 0.31 -0.77 -4.93 118.33 114.28 3i4m n VAL 34 Ca 0.15 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 64.03 3i4m n VAL 34 Cb 0.75 -0.37 -0.05 0.00 -0.91 0.00 0.00 33.84 33.27 3i4m n VAL 34 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4m n GLU 35 N -3.26 1.54 0.00 5.55 1.02 -1.03 0.32 120.64 124.78 3i4m n GLU 35 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3i4m n GLU 35 Cb 0.00 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 28.47 3i4m n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 36 N 6.09 0.56 0.21 0.62 0.00 -1.02 -4.94 105.19 106.72 3i4m n GLY 36 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 3i4m n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4m n SER 37 N 0.00 -0.97 -3.60 1.61 3.41 0.15 -4.84 113.62 109.38 3i4m n SER 37 Ca 0.00 -0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 57.93 3i4m n SER 37 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 3i4m n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4m s THR 39 N -0.75 0.01 -0.01 0.00 2.01 -1.19 -4.82 115.64 110.88 3i4m s THR 39 Ca -0.00 -1.50 0.08 0.00 0.31 0.00 0.00 61.69 60.59 3i4m s THR 39 Cb -0.02 -2.22 -0.23 0.00 0.01 0.00 0.00 72.50 70.04 3i4m s THR 39 CO -0.01 -0.03 0.80 1.23 -0.69 0.00 0.00 174.62 175.92 3i4m h GLY 40 N 2.34 0.05 0.76 4.40 0.00 -1.92 -0.77 103.07 107.94 3i4m h GLY 40 Ca -0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3i4m h GLY 40 CO 0.39 0.11 -0.07 1.70 0.00 0.00 0.00 176.54 178.68 3i4m h LYS 41 N 0.01 -0.19 -0.00 4.80 3.64 -2.03 -3.35 116.57 119.45 3i4m h LYS 41 Ca -0.23 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3i4m h LYS 41 Cb 1.96 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 3i4m h LYS 41 CO 0.10 0.07 -0.24 1.19 -2.27 0.00 0.00 179.45 178.30 3i4m n PHE 42 N -5.07 0.00 -4.60 1.91 3.01 -1.26 -5.11 117.46 106.35 3i4m n PHE 42 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3i4m n PHE 42 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 3i4m n PHE 42 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i4m n GLY 43 N 1.05 -0.95 3.62 1.37 0.00 -0.29 -4.48 105.19 105.50 3i4m n GLY 43 Ca 0.01 -1.12 -0.52 0.00 0.00 0.00 0.00 46.02 44.40 3i4m n GLY 43 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i4m n TYR 44 N -0.79 2.01 -3.16 1.61 4.02 -0.71 -3.17 117.16 116.96 3i4m n TYR 44 Ca 0.00 0.24 -0.39 0.00 -0.01 0.00 0.00 57.90 57.74 3i4m n TYR 44 Cb 0.00 -2.56 -0.05 0.00 -0.02 0.00 0.00 39.34 36.70 3i4m n TYR 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3i4m s ILE 45 N 5.06 4.96 0.03 -0.72 -1.09 -1.12 -0.71 121.20 127.61 3i4m s ILE 45 Ca 1.00 1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 60.67 3i4m s ILE 45 Cb -0.85 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.05 3i4m s ILE 45 CO 0.55 0.36 -0.08 0.18 -1.23 0.00 0.00 174.94 174.72 3i4m n LEU 46 N 3.09 1.27 -3.73 2.97 4.77 -0.52 -2.43 117.00 122.42 3i4m n LEU 46 Ca -0.05 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 3i4m n LEU 46 Cb 0.51 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 3i4m n LEU 46 CO 0.45 -0.61 -0.23 0.00 -1.33 0.00 0.00 177.39 175.66 3i4m s VAL 48 N 1.44 3.58 0.37 0.00 1.01 -1.26 -0.83 120.40 124.71 3i4m s VAL 48 Ca -0.06 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.18 3i4m s VAL 48 Cb -0.12 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3i4m s VAL 48 CO -0.06 -0.02 0.14 -0.76 0.00 0.00 0.00 175.10 174.40 3i4m s LEU 49 N -2.80 3.16 -1.44 3.92 1.43 -0.64 -4.71 118.68 117.60 3i4m s LEU 49 Ca 0.60 -0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 3i4m s LEU 49 Cb -0.23 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.47 3i4m s LEU 49 CO 0.29 -0.39 0.93 -0.67 0.23 0.00 0.00 176.35 176.73 3i4m n ASP 50 N -1.16 -3.89 -0.25 2.29 -0.08 -1.26 -4.73 116.55 107.46 3i4m n ASP 50 Ca -0.02 -0.76 0.17 0.00 -1.51 0.00 0.00 54.79 52.67 3i4m n ASP 50 Cb 0.63 -4.10 0.32 0.00 2.34 0.00 0.00 41.12 40.31 3i4m n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i4m n TYR 51 N -4.60 0.66 -0.26 -0.67 -0.00 -1.26 -0.75 117.16 110.29 3i4m n TYR 51 Ca -0.07 0.91 0.04 0.00 -0.00 0.00 0.00 57.90 58.79 3i4m n TYR 51 Cb 0.58 -1.18 0.27 0.00 -0.00 0.00 0.00 39.34 39.01 3i4m n TYR 51 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 3i4m h ASP 52 N 0.00 0.83 -0.80 2.98 3.32 -2.01 -3.10 116.42 117.64 3i4m h ASP 52 Ca 0.54 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 57.21 3i4m h ASP 52 Cb 1.29 -0.18 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 3i4m h ASP 52 CO -0.66 0.55 0.42 0.59 -1.72 0.00 0.00 179.24 178.42 3i4m n ASN 53 N -4.48 3.61 -4.63 6.45 5.03 0.08 -4.97 115.26 116.35 3i4m n ASN 53 Ca 0.12 -3.58 -0.43 0.00 0.87 0.00 0.00 54.58 51.56 3i4m n ASN 53 Cb 0.18 -0.77 -0.03 0.00 -1.02 0.00 0.00 39.78 38.14 3i4m n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i4m s ILE 54 N -3.24 3.36 0.13 2.41 1.01 -1.18 -4.92 121.20 118.77 3i4m s ILE 54 Ca 0.54 0.40 -0.31 0.00 0.00 0.00 0.00 60.65 61.28 3i4m s ILE 54 Cb 0.45 -3.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.47 3i4m s ILE 54 CO 0.09 -0.16 1.33 -0.62 0.00 0.00 0.00 174.94 175.57 3i4m s ASP 55 N 5.44 6.89 -0.13 3.58 -1.08 -1.18 -4.94 116.67 125.26 3i4m s ASP 55 Ca 0.83 2.30 0.02 0.00 -0.52 0.00 0.00 52.55 55.18 3i4m s ASP 55 Cb -0.31 -2.59 -0.09 0.00 -1.46 0.00 0.00 42.92 38.47 3i4m s ASP 55 CO 0.34 -0.58 -0.10 -0.38 0.52 0.00 0.00 175.17 174.96 3i4m n ILE 56 N 3.53 0.76 -0.60 4.11 5.41 -1.26 -2.24 119.36 129.07 3i4m n ILE 56 Ca 0.09 -0.31 0.08 0.00 1.00 0.00 0.00 62.75 63.61 3i4m n ILE 56 Cb 0.43 -0.94 -0.03 0.00 -0.71 0.00 0.00 39.64 38.38 3i4m n ILE 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4m n GLN 57 N -2.83 -1.33 -2.44 0.38 6.02 -1.26 -4.15 117.38 111.77 3i4m n GLN 57 Ca -0.23 1.02 -0.43 0.00 -0.01 0.00 0.00 57.00 57.36 3i4m n GLN 57 Cb 0.76 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 30.43 3i4m n GLN 57 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3i4m s ARG 58 N -2.86 4.08 0.49 -1.09 0.52 -1.26 -4.91 118.95 113.92 3i4m s ARG 58 Ca 0.00 1.44 -0.15 0.00 -0.52 0.00 0.00 55.73 56.50 3i4m s ARG 58 Cb 0.00 -3.81 -0.07 0.00 0.52 0.00 0.00 34.95 31.59 3i4m s ARG 58 CO 0.00 -0.90 0.93 0.20 0.02 0.00 0.00 175.30 175.55 3i4m s GLY 59 N 2.30 2.02 -0.07 -3.53 0.00 -1.26 -4.89 107.32 101.89 3i4m s GLY 59 Ca 0.55 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 45.30 3i4m s GLY 59 CO 0.18 0.32 0.11 1.09 0.00 0.00 0.00 173.10 174.80 3i4m s ARG 60 N -4.04 3.27 -0.03 2.90 1.70 -0.32 -4.78 118.95 117.65 3i4m s ARG 60 Ca 0.57 -0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 55.24 3i4m s ARG 60 Cb -0.10 -3.03 -0.04 0.00 -0.57 0.00 0.00 34.95 31.21 3i4m s ARG 60 CO 0.32 0.72 1.17 0.42 -1.08 0.00 0.00 175.30 176.85 3i4m s ILE 61 N -1.09 4.30 0.99 4.99 1.01 -1.26 -0.05 121.20 130.08 3i4m s ILE 61 Ca 0.18 1.63 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 3i4m s ILE 61 Cb -0.12 -4.05 0.18 0.00 0.01 0.00 0.00 42.46 38.49 3i4m s ILE 61 CO 0.08 0.04 1.08 -0.76 0.00 0.00 0.00 174.94 175.38 3i4m s LEU 62 N 1.83 1.87 0.00 2.97 1.43 0.29 -4.94 118.68 122.13 3i4m s LEU 62 Ca 0.56 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 3i4m s LEU 62 Cb -0.25 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.16 3i4m s LEU 62 CO 0.24 -3.21 0.00 -0.81 0.23 0.00 0.00 176.35 172.80 3i4m n PRO 63 N -4.26 0.00 -0.06 1.29 -0.04 -1.26 -4.60 135.00 126.06 3i4m n PRO 63 Ca 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 3i4m n PRO 63 Cb 0.55 -0.04 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 3i4m n PRO 63 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i4m n THR 64 N 0.00 -0.10 -3.57 0.52 -1.04 -1.26 -4.54 114.28 104.30 3i4m n THR 64 Ca 0.00 1.57 -0.26 0.00 -2.04 0.00 0.00 64.05 63.32 3i4m n THR 64 Cb 0.00 -2.06 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 3i4m n THR 64 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3i4m s ASP 65 N -3.37 6.37 0.00 8.00 -4.77 -1.26 -5.01 116.67 116.63 3i4m s ASP 65 Ca -0.02 0.44 0.16 0.00 -3.30 0.00 0.00 52.55 49.84 3i4m s ASP 65 Cb 0.02 -2.03 0.96 0.00 -1.09 0.00 0.00 42.92 40.78 3i4m s ASP 65 CO 0.09 -0.14 1.38 0.61 0.70 0.00 0.00 175.17 177.81 3i4m n GLY 66 N -1.08 -0.52 3.30 2.12 0.00 -1.26 -4.35 105.19 103.40 3i4m n GLY 66 Ca -0.05 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3i4m n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i4m n SER 67 N -1.01 -2.86 -4.23 1.61 7.64 -1.26 -4.41 113.62 109.10 3i4m n SER 67 Ca 0.12 0.20 -0.24 0.00 1.01 0.00 0.00 58.87 59.96 3i4m n SER 67 Cb 0.06 -1.05 -0.14 0.00 -1.01 0.00 0.00 64.21 62.07 3i4m n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m s ALA 68 N -2.28 1.65 -0.21 -0.43 0.00 -0.32 0.10 121.76 120.26 3i4m s ALA 68 Ca 0.53 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 3i4m s ALA 68 Cb -0.17 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3i4m s ALA 68 CO 0.70 0.36 -0.10 -2.00 0.00 0.00 0.00 175.76 174.72 3i4m s GLU 69 N -1.25 3.12 -0.11 0.00 2.12 0.92 0.12 118.70 123.63 3i4m s GLU 69 Ca 0.06 -0.77 -0.00 0.00 0.36 0.00 0.00 54.97 54.61 3i4m s GLU 69 Cb -0.09 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 3i4m s GLU 69 CO 0.02 -0.25 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.33 3i4m s PHE 70 N 1.38 2.87 -0.92 5.30 0.40 0.47 -1.17 117.98 126.32 3i4m s PHE 70 Ca 0.04 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 3i4m s PHE 70 Cb -0.14 -1.82 0.20 0.00 0.51 0.00 0.00 43.02 41.77 3i4m s PHE 70 CO -0.07 -0.00 0.95 1.21 0.70 0.00 0.00 175.22 178.01 3i4m s ASN 71 N -0.03 6.84 -0.48 1.36 3.84 -1.26 -0.08 114.94 125.13 3i4m s ASN 71 Ca -0.02 -2.70 -0.27 0.00 0.21 0.00 0.00 52.86 50.08 3i4m s ASN 71 Cb -0.14 -2.27 -0.02 0.00 -0.55 0.00 0.00 41.25 38.27 3i4m s ASN 71 CO 0.03 -0.65 1.87 -0.69 -2.79 0.00 0.00 177.10 174.87 3i4m s VAL 72 N 0.62 3.39 -0.21 -5.21 1.01 -1.06 -4.75 120.40 114.18 3i4m s VAL 72 Ca 0.25 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 3i4m s VAL 72 Cb -0.08 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3i4m s VAL 72 CO -0.08 -0.63 0.99 -0.75 0.00 0.00 0.00 175.10 174.62 3i4m s LYS 73 N 6.52 4.28 0.03 2.72 2.47 -0.95 -2.12 119.74 132.68 3i4m s LYS 73 Ca 0.75 1.27 0.01 0.00 -1.56 0.00 0.00 55.97 56.43 3i4m s LYS 73 Cb -0.17 -3.62 -0.00 0.00 -1.46 0.00 0.00 37.83 32.58 3i4m s LYS 73 CO 0.27 -0.54 0.02 2.48 0.16 0.00 0.00 175.35 177.73 3i4m n TYR 74 N 5.99 -0.05 -3.72 4.03 -0.00 -0.74 -3.08 117.16 119.60 3i4m n TYR 74 Ca 0.10 -0.21 -0.13 0.00 -0.00 0.00 0.00 57.90 57.65 3i4m n TYR 74 Cb 0.47 0.02 -0.08 0.00 -0.00 0.00 0.00 39.34 39.75 3i4m n TYR 74 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 3i4m s ARG 75 N -2.11 0.79 0.17 -3.48 3.52 -1.26 -1.10 118.95 115.48 3i4m s ARG 75 Ca 0.03 -0.28 -0.24 0.00 -0.13 0.00 0.00 55.73 55.11 3i4m s ARG 75 Cb 0.00 0.35 0.06 0.00 -1.56 0.00 0.00 34.95 33.81 3i4m s ARG 75 CO 0.02 -0.24 0.96 0.00 -0.81 0.00 0.00 175.30 175.23 3i4m s ALA 76 N -1.90 -1.60 0.10 6.12 0.00 -0.98 -1.61 121.76 121.89 3i4m s ALA 76 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 3i4m s ALA 76 Cb -0.03 0.67 -0.07 0.00 0.00 0.00 0.00 23.12 23.69 3i4m s ALA 76 CO 0.01 -1.05 0.63 0.08 0.00 0.00 0.00 175.76 175.43 3i4m s VAL 77 N -3.09 4.63 0.07 0.00 1.01 -0.01 -2.35 120.40 120.67 3i4m s VAL 77 Ca 0.14 1.35 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 3i4m s VAL 77 Cb -0.02 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3i4m s VAL 77 CO 0.03 0.54 0.14 0.68 0.00 0.00 0.00 175.10 176.50 3i4m s VAL 78 N -1.13 0.15 -0.14 2.92 -7.23 0.10 -1.43 120.40 113.65 3i4m s VAL 78 Ca 0.31 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 59.22 3i4m s VAL 78 Cb -0.20 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.50 3i4m s VAL 78 CO 0.21 -0.69 0.01 0.12 -0.31 0.00 0.00 175.10 174.44 3i4m s PHE 79 N -3.60 0.98 -0.24 2.82 5.36 0.12 -0.20 117.98 123.22 3i4m s PHE 79 Ca 0.03 -0.60 -0.01 0.00 -0.96 0.00 0.00 56.93 55.40 3i4m s PHE 79 Cb 0.04 -0.98 0.07 0.00 -0.34 0.00 0.00 43.02 41.81 3i4m s PHE 79 CO -0.09 -0.49 0.02 0.21 -1.46 0.00 0.00 175.22 173.40 3i4m s LYS 80 N 1.87 1.02 1.21 10.12 2.20 -1.26 -1.74 119.74 133.16 3i4m s LYS 80 Ca 0.02 -0.82 -0.17 0.00 -0.36 0.00 0.00 55.97 54.64 3i4m s LYS 80 Cb -0.15 -2.28 0.29 0.00 -1.51 0.00 0.00 37.83 34.18 3i4m s LYS 80 CO -0.07 -0.72 1.04 -1.25 -0.36 0.00 0.00 175.35 174.00 3i4m s PRO 81 N 1.61 -1.30 0.22 4.03 0.04 -1.26 -4.91 135.00 133.44 3i4m s PRO 81 Ca 0.00 0.29 -0.09 0.00 0.04 0.00 0.00 61.00 61.24 3i4m s PRO 81 Cb -0.18 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 3i4m s PRO 81 CO -0.11 -3.84 0.36 -0.06 0.04 0.00 0.00 177.00 173.39 3i4m s PHE 82 N -2.69 0.57 0.32 0.56 0.40 -1.26 -5.06 117.98 110.81 3i4m s PHE 82 Ca 0.69 -0.89 -0.28 0.00 -0.60 0.00 0.00 56.93 55.84 3i4m s PHE 82 Cb -0.16 -0.04 -0.09 0.00 0.51 0.00 0.00 43.02 43.24 3i4m s PHE 82 CO 0.59 -0.86 1.10 0.15 0.70 0.00 0.00 175.22 176.89 3i4m s LYS 83 N -4.05 4.49 0.00 0.44 1.02 -1.26 -2.98 119.74 117.40 3i4m s LYS 83 Ca 0.26 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.00 3i4m s LYS 83 Cb 0.02 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3i4m s LYS 83 CO 0.08 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 3i4m n GLY 84 N 0.96 0.58 3.69 -3.33 0.00 0.57 -4.97 105.19 102.69 3i4m n GLY 84 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i4m n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i4m s GLU 85 N -0.43 4.42 -0.28 1.61 2.12 -1.16 -4.76 118.70 120.23 3i4m s GLU 85 Ca 0.00 1.44 -0.20 0.00 0.36 0.00 0.00 54.97 56.57 3i4m s GLU 85 Cb 0.00 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 3i4m s GLU 85 CO 0.00 -0.32 0.63 0.08 -0.54 0.00 0.00 175.26 175.11 3i4m s VAL 86 N 1.97 4.96 -0.00 3.70 1.01 -1.26 -1.69 120.40 129.08 3i4m s VAL 86 Ca 0.50 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.48 3i4m s VAL 86 Cb -0.20 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 3i4m s VAL 86 CO 0.19 -0.06 -0.06 0.68 0.00 0.00 0.00 175.10 175.86 3i4m s VAL 87 N 2.56 0.45 -0.07 2.92 -7.23 0.08 -4.98 120.40 114.13 3i4m s VAL 87 Ca 0.26 -0.24 0.04 0.00 -1.81 0.00 0.00 61.98 60.22 3i4m s VAL 87 Cb -0.15 -0.38 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 3i4m s VAL 87 CO 0.10 0.13 -0.17 1.51 -0.31 0.00 0.00 175.10 176.36 3i4m s ASP 88 N -0.12 3.75 0.00 4.85 3.84 -1.26 0.16 116.67 127.90 3i4m s ASP 88 Ca 0.02 -0.31 0.00 0.00 -0.00 0.00 0.00 52.55 52.26 3i4m s ASP 88 Cb -0.02 -1.00 0.00 0.00 -1.38 0.00 0.00 42.92 40.52 3i4m s ASP 88 CO -0.00 0.28 0.00 0.61 -0.00 0.00 0.00 175.17 176.06 3i4m n GLY 89 N 2.75 2.94 3.83 2.12 0.00 0.16 -4.89 105.19 112.09 3i4m n GLY 89 Ca -0.17 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 3i4m n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4m s THR 90 N -2.54 5.21 0.54 2.61 2.01 -0.69 -0.03 115.64 122.76 3i4m s THR 90 Ca 0.00 0.61 -0.20 0.00 0.31 0.00 0.00 61.69 62.41 3i4m s THR 90 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 3i4m s THR 90 CO 0.00 0.56 1.21 -0.69 -0.69 0.00 0.00 174.62 175.01 3i4m s VAL 91 N -0.82 2.75 0.00 3.82 1.01 -0.92 0.12 120.40 126.36 3i4m s VAL 91 Ca 0.20 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3i4m s VAL 91 Cb -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3i4m s VAL 91 CO 0.09 -0.06 0.00 0.52 0.00 0.00 0.00 175.10 175.65 3i4m n VAL 92 N -1.17 0.00 -1.88 2.92 0.31 0.19 -4.41 118.33 114.29 3i4m n VAL 92 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.15 3i4m n VAL 92 Cb 0.49 -0.03 0.15 0.00 -0.91 0.00 0.00 33.84 33.54 3i4m n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3i4m s SER 93 N 0.72 3.58 -0.30 4.52 1.04 -1.18 -4.63 113.70 117.45 3i4m s SER 93 Ca 0.00 0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.80 3i4m s SER 93 Cb 0.00 -0.73 0.17 0.00 0.10 0.00 0.00 66.02 65.56 3i4m s SER 93 CO 0.00 -2.46 0.92 0.00 0.98 0.00 0.00 173.24 172.68 3i4m n SER 95 N 5.19 1.91 0.10 0.00 3.41 0.14 -4.87 113.62 119.50 3i4m n SER 95 Ca -0.08 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.54 3i4m n SER 95 Cb 0.52 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.87 3i4m n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4m n GLN 96 N 0.00 0.26 -0.00 4.33 10.64 -1.26 -3.22 117.38 128.13 3i4m n GLN 96 Ca 0.00 0.21 0.09 0.00 -1.83 0.00 0.00 57.00 55.47 3i4m n GLN 96 Cb 0.00 -1.80 -0.11 0.00 -0.86 0.00 0.00 30.24 27.47 3i4m n GLN 96 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3i4m n HIS 97 N -2.26 0.00 0.00 2.61 8.25 -1.26 -4.87 115.22 117.70 3i4m n HIS 97 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3i4m n HIS 97 Cb 0.43 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3i4m n HIS 97 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4m n GLY 98 N 1.45 0.65 3.65 -1.41 0.00 -1.20 0.16 105.19 108.49 3i4m n GLY 98 Ca 0.03 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 3i4m n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i4m s PHE 99 N -1.46 2.84 -0.30 1.61 -0.12 -1.05 0.25 117.98 119.75 3i4m s PHE 99 Ca 0.00 -0.13 -0.06 0.00 -0.05 0.00 0.00 56.93 56.69 3i4m s PHE 99 Cb 0.00 -1.41 0.02 0.00 -0.63 0.00 0.00 43.02 41.00 3i4m s PHE 99 CO 0.00 0.49 0.06 -2.00 -0.05 0.00 0.00 175.22 173.73 3i4m s GLU 100 N -2.68 2.97 -0.06 1.99 2.12 -0.63 -1.56 118.70 120.85 3i4m s GLU 100 Ca 0.26 -0.93 -0.14 0.00 0.36 0.00 0.00 54.97 54.52 3i4m s GLU 100 Cb -0.10 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 3i4m s GLU 100 CO 0.17 -0.48 0.36 0.08 -0.54 0.00 0.00 175.26 174.86 3i4m s VAL 101 N 1.46 5.16 -0.22 3.70 1.01 0.83 0.55 120.40 132.90 3i4m s VAL 101 Ca 0.01 0.72 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 3i4m s VAL 101 Cb -0.18 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3i4m s VAL 101 CO 0.02 0.52 0.09 -1.58 0.00 0.00 0.00 175.10 174.14 3i4m s GLN 102 N -0.55 3.92 -0.25 2.72 0.74 0.32 -0.72 119.66 125.84 3i4m s GLN 102 Ca 0.21 -0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.28 3i4m s GLN 102 Cb -0.15 -3.34 0.07 0.00 1.10 0.00 0.00 33.01 30.68 3i4m s GLN 102 CO 0.10 0.09 -0.03 0.08 -0.55 0.00 0.00 175.29 174.98 3i4m s VAL 103 N 0.89 1.54 0.00 1.34 1.01 -0.88 -1.70 120.40 122.60 3i4m s VAL 103 Ca 0.05 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.70 3i4m s VAL 103 Cb -0.13 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3i4m s VAL 103 CO 0.03 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.54 3i4m n GLY 104 N 4.65 -0.62 0.13 4.51 0.00 -1.26 -2.99 105.19 109.60 3i4m n GLY 104 Ca -0.10 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 44.91 3i4m n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4m n PRO 105 N -0.31 0.12 -2.94 1.61 -0.04 -1.26 -4.72 135.00 127.46 3i4m n PRO 105 Ca 0.00 0.60 -0.23 0.00 -0.04 0.00 0.00 63.50 63.84 3i4m n PRO 105 Cb 0.00 -1.87 0.01 0.00 -0.04 0.00 0.00 33.50 31.60 3i4m n PRO 105 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3i4m s MET 106 N -3.44 2.99 -0.26 0.54 0.00 -1.16 -5.06 119.30 112.91 3i4m s MET 106 Ca -0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 55.69 55.13 3i4m s MET 106 Cb 0.05 -2.55 0.08 0.00 0.00 0.00 0.00 34.83 32.40 3i4m s MET 106 CO 0.17 -0.33 0.02 0.15 0.00 0.00 0.00 175.02 175.03 3i4m s LYS 107 N -4.58 1.14 -0.07 4.11 1.02 -1.26 -2.08 119.74 118.03 3i4m s LYS 107 Ca 0.50 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 55.33 3i4m s LYS 107 Cb -0.10 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 3i4m s LYS 107 CO 0.38 -0.75 0.45 0.08 -0.92 0.00 0.00 175.35 174.59 3i4m s VAL 108 N 1.51 5.10 -0.07 3.17 1.01 0.10 -3.64 120.40 127.58 3i4m s VAL 108 Ca 0.01 0.92 0.01 0.00 0.00 0.00 0.00 61.98 62.92 3i4m s VAL 108 Cb -0.18 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3i4m s VAL 108 CO -0.12 0.43 -0.08 0.12 0.00 0.00 0.00 175.10 175.45 3i4m s PHE 109 N -0.08 2.91 -0.19 5.22 5.36 -0.16 -0.12 117.98 130.92 3i4m s PHE 109 Ca 0.25 -0.05 -0.00 0.00 -0.96 0.00 0.00 56.93 56.17 3i4m s PHE 109 Cb -0.16 -1.73 0.01 0.00 -0.34 0.00 0.00 43.02 40.81 3i4m s PHE 109 CO 0.12 0.26 -0.15 0.08 -1.46 0.00 0.00 175.22 174.07 3i4m s VAL 110 N -0.66 2.47 0.46 3.12 1.01 -0.60 -0.43 120.40 125.77 3i4m s VAL 110 Ca 0.10 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3i4m s VAL 110 Cb -0.11 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 3i4m s VAL 110 CO 0.02 0.51 0.93 -0.89 0.00 0.00 0.00 175.10 175.66 3i4m s THR 111 N 1.29 4.52 0.13 3.92 2.01 -1.26 -2.53 115.64 123.72 3i4m s THR 111 Ca 0.04 1.24 -0.32 0.00 0.31 0.00 0.00 61.69 62.96 3i4m s THR 111 Cb -0.14 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 3i4m s THR 111 CO -0.09 -0.50 1.55 0.11 -0.69 0.00 0.00 174.62 175.00 3i4m h LYS 112 N 1.42 -0.38 -5.60 4.92 1.57 -0.62 -2.60 116.57 115.29 3i4m h LYS 112 Ca -0.48 0.03 -0.44 0.00 -1.87 0.00 0.00 60.65 57.89 3i4m h LYS 112 Cb 1.18 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.53 3i4m h LYS 112 CO 0.62 -0.25 1.43 -1.01 -0.57 0.00 0.00 179.45 179.67 3i4m s HIS 113 N -5.68 2.22 0.00 -1.35 0.09 -1.26 -1.89 115.29 107.42 3i4m s HIS 113 Ca -0.14 -0.20 0.00 0.00 -0.00 0.00 0.00 55.06 54.72 3i4m s HIS 113 Cb 0.09 -4.24 0.00 0.00 -0.00 0.00 0.00 32.58 28.43 3i4m s HIS 113 CO 0.62 -1.40 0.00 -0.11 -0.00 0.00 0.00 174.74 173.85 3i4m n LEU 114 N 12.47 0.00 -4.21 0.89 7.94 -0.98 -5.10 117.00 128.01 3i4m n LEU 114 Ca 0.46 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.24 3i4m n LEU 114 Cb 0.46 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.31 3i4m n LEU 114 CO 0.70 0.00 -0.34 0.00 -1.11 0.00 0.00 177.39 176.64 3i4m s MET 115 N 0.00 1.01 0.41 1.96 0.23 -0.79 -2.19 119.30 119.93 3i4m s MET 115 Ca 0.00 -1.46 -0.26 0.00 -1.03 0.00 0.00 55.69 52.94 3i4m s MET 115 Cb 0.00 -0.18 -0.10 0.00 -1.53 0.00 0.00 34.83 33.02 3i4m s MET 115 CO 0.00 -0.12 1.25 -0.35 -2.03 0.00 0.00 175.02 173.78 3i4m n PRO 116 N -0.16 1.90 -0.05 3.16 -0.04 -1.26 -4.87 135.00 133.68 3i4m n PRO 116 Ca -0.08 0.68 -0.07 0.00 -0.04 0.00 0.00 63.50 63.99 3i4m n PRO 116 Cb 0.63 -2.35 0.11 0.00 -0.04 0.00 0.00 33.50 31.85 3i4m n PRO 116 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3i4m h GLN 117 N 2.10 0.67 0.00 0.54 -0.00 -2.00 -2.61 115.11 113.82 3i4m h GLN 117 Ca -0.47 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 57.89 3i4m h GLN 117 Cb 1.30 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 3i4m h GLN 117 CO 0.60 0.88 0.16 0.38 -0.00 0.00 0.00 178.83 180.85 3i4m h ASP 118 N 0.58 0.00 -1.44 0.06 2.03 -1.93 -3.30 116.42 112.42 3i4m h ASP 118 Ca 0.07 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.76 3i4m h ASP 118 Cb 0.77 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.16 3i4m h ASP 118 CO 0.06 0.00 1.33 -0.22 -1.03 0.00 0.00 179.24 179.39 3i4m s LEU 119 N -4.76 3.83 0.00 0.15 2.96 -0.98 -4.47 118.68 115.41 3i4m s LEU 119 Ca -0.03 -1.55 0.00 0.00 -0.22 0.00 0.00 54.13 52.34 3i4m s LEU 119 Cb 0.07 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.22 3i4m s LEU 119 CO 0.21 -1.42 0.00 0.35 -1.32 0.00 0.00 176.35 174.16 3i4m n THR 120 N 6.57 0.00 -3.15 3.68 -2.24 0.55 -4.73 114.28 114.96 3i4m n THR 120 Ca 0.30 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.11 3i4m n THR 120 Cb 0.50 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3i4m n THR 120 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i4m s PHE 121 N 0.00 -1.58 0.10 4.78 5.36 -1.26 -3.91 117.98 121.47 3i4m s PHE 121 Ca 0.00 0.75 -0.31 0.00 -0.96 0.00 0.00 56.93 56.41 3i4m s PHE 121 Cb 0.00 0.27 -0.09 0.00 -0.34 0.00 0.00 43.02 42.86 3i4m s PHE 121 CO 0.00 -0.96 1.67 1.21 -1.46 0.00 0.00 175.22 175.69 3i4m s ASN 122 N 2.60 6.56 -0.03 6.13 2.47 -0.32 -4.92 114.94 127.43 3i4m s ASN 122 Ca 0.14 2.58 -0.01 0.00 0.42 0.00 0.00 52.86 55.99 3i4m s ASN 122 Cb -0.07 -2.57 -0.00 0.00 -1.45 0.00 0.00 41.25 37.16 3i4m s ASN 122 CO -0.21 -0.90 -0.02 0.00 -3.72 0.00 0.00 177.10 172.25 3i4m h ALA 123 N 8.01 0.00 0.00 1.71 0.00 -2.00 -3.28 119.26 123.70 3i4m h ALA 123 Ca -0.43 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 3i4m h ALA 123 Cb 1.20 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3i4m h ALA 123 CO 0.93 0.06 0.02 0.41 0.00 0.00 0.00 179.25 180.67 3i4m n GLY 124 N 1.83 1.87 3.73 0.00 0.00 -1.26 -4.82 105.19 106.54 3i4m n GLY 124 Ca -0.01 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3i4m n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4m s SER 125 N 2.29 6.63 -0.40 1.61 1.04 -1.26 -5.04 113.70 118.58 3i4m s SER 125 Ca 0.22 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.43 3i4m s SER 125 Cb 0.11 -2.26 0.12 0.00 0.10 0.00 0.00 66.02 64.09 3i4m s SER 125 CO 0.00 0.06 0.16 0.20 0.98 0.00 0.00 173.24 174.64 3i4m s ASN 126 N 0.41 4.11 0.83 7.02 0.02 -1.26 -1.73 114.94 124.34 3i4m s ASN 126 Ca 0.23 -2.33 -0.12 0.00 -1.02 0.00 0.00 52.86 49.62 3i4m s ASN 126 Cb -0.15 -1.22 0.09 0.00 0.02 0.00 0.00 41.25 39.99 3i4m s ASN 126 CO 0.09 -0.32 1.17 -2.16 0.02 0.00 0.00 177.10 175.89 3i4m s PRO 127 N 0.69 1.84 0.20 -0.60 0.04 -1.26 -5.09 135.00 130.81 3i4m s PRO 127 Ca 0.14 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.03 3i4m s PRO 127 Cb -0.22 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 3i4m s PRO 127 CO -0.08 -1.69 1.08 -2.30 0.04 0.00 0.00 177.00 174.05 3i4m n PRO 128 N -3.39 1.11 -3.99 0.56 -0.02 -0.70 -4.94 135.00 123.62 3i4m n PRO 128 Ca 0.08 0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 61.78 3i4m n PRO 128 Cb 0.61 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 3i4m n PRO 128 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i4m n SER 129 N 1.81 -0.74 -3.81 2.55 3.41 -1.24 -4.51 113.62 111.09 3i4m n SER 129 Ca 0.14 -2.95 -0.13 0.00 -0.26 0.00 0.00 58.87 55.66 3i4m n SER 129 Cb 0.26 1.65 -0.15 0.00 -0.26 0.00 0.00 64.21 65.71 3i4m n SER 129 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3i4m s TYR 130 N -3.21 -0.02 0.51 7.33 1.51 -0.94 -1.17 117.35 121.36 3i4m s TYR 130 Ca 0.35 0.14 0.02 0.00 -1.01 0.00 0.00 57.07 56.56 3i4m s TYR 130 Cb 0.01 -0.11 -0.01 0.00 -0.11 0.00 0.00 41.96 41.75 3i4m s TYR 130 CO 0.25 -0.06 0.03 -0.65 -1.11 0.00 0.00 175.55 174.01 3i4m s GLN 131 N 0.60 2.20 0.19 -0.62 -0.21 -1.25 -1.47 119.66 119.09 3i4m s GLN 131 Ca -0.05 -2.36 -0.23 0.00 0.02 0.00 0.00 55.36 52.74 3i4m s GLN 131 Cb -0.07 -1.58 0.07 0.00 1.00 0.00 0.00 33.01 32.43 3i4m s GLN 131 CO -0.02 -0.37 1.01 0.45 -2.12 0.00 0.00 175.29 174.23 3i4m s SER 132 N -3.91 -0.04 0.15 5.90 0.15 0.02 -0.33 113.70 115.64 3i4m s SER 132 Ca 0.09 -0.63 -0.29 0.00 0.70 0.00 0.00 55.95 55.82 3i4m s SER 132 Cb 0.01 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 3i4m s SER 132 CO 0.05 -1.01 1.55 0.28 1.20 0.00 0.00 173.24 175.32 3i4m h SER 133 N 2.00 -1.77 -0.89 5.45 0.02 -2.02 -3.13 113.55 113.21 3i4m h SER 133 Ca -0.27 0.26 -0.43 0.00 -0.84 0.00 0.00 61.79 60.51 3i4m h SER 133 Cb 1.22 0.77 -0.41 0.00 0.14 0.00 0.00 62.40 64.12 3i4m h SER 133 CO 0.33 -0.35 -0.96 -1.84 -1.14 0.00 0.00 176.83 172.88 3i4m n GLU 134 N -5.37 2.54 -3.76 3.45 0.28 -1.26 -5.06 120.64 111.45 3i4m n GLU 134 Ca -0.00 -3.87 -0.13 0.00 -0.16 0.00 0.00 57.16 53.00 3i4m n GLU 134 Cb 0.33 -1.87 -0.11 0.00 1.43 0.00 0.00 31.44 31.22 3i4m n GLU 134 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i4m s ASP 135 N -3.54 -0.32 -0.05 -1.84 1.01 -1.19 -5.14 116.67 105.60 3i4m s ASP 135 Ca 0.39 0.61 -0.02 0.00 0.71 0.00 0.00 52.55 54.23 3i4m s ASP 135 Cb 0.39 0.61 0.04 0.00 1.01 0.00 0.00 42.92 44.97 3i4m s ASP 135 CO -0.03 -0.11 0.09 -0.69 0.21 0.00 0.00 175.17 174.64 3i4m s VAL 136 N 0.26 -0.16 -0.02 -1.27 1.01 -1.26 -0.80 120.40 118.16 3i4m s VAL 136 Ca -0.01 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3i4m s VAL 136 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 3i4m s VAL 136 CO -0.01 0.17 -0.21 -0.63 0.00 0.00 0.00 175.10 174.42 3i4m s ILE 137 N 2.17 2.46 0.00 2.22 1.01 -0.54 -4.96 121.20 123.56 3i4m s ILE 137 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3i4m s ILE 137 Cb -0.12 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.43 3i4m s ILE 137 CO -0.04 0.54 0.00 0.41 0.00 0.00 0.00 174.94 175.85 3i4m n THR 138 N 2.24 0.00 0.00 2.92 -1.04 -1.26 -2.22 114.28 114.92 3i4m n THR 138 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3i4m n THR 138 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3i4m n THR 138 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i4m n ILE 139 N 0.00 0.00 0.00 12.58 5.41 -1.26 -3.90 119.36 132.19 3i4m n ILE 139 Ca 0.00 0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3i4m n ILE 139 Cb 0.00 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 3i4m n ILE 139 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i4m n LYS 140 N 0.00 0.00 -0.12 0.38 4.76 -1.26 -3.72 118.16 118.20 3i4m n LYS 140 Ca 0.00 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 3i4m n LYS 140 Cb 0.00 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 3i4m n LYS 140 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3i4m n SER 141 N -1.91 0.00 -4.77 4.39 3.41 -1.25 -2.17 113.62 111.31 3i4m n SER 141 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 3i4m n SER 141 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3i4m n SER 141 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i4m s ARG 142 N 0.00 4.14 0.13 4.33 0.52 -1.26 -3.54 118.95 123.27 3i4m s ARG 142 Ca 0.00 2.13 0.04 0.00 -0.52 0.00 0.00 55.73 57.38 3i4m s ARG 142 Cb 0.00 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 3i4m s ARG 142 CO 0.00 -0.34 -0.11 0.42 0.02 0.00 0.00 175.30 175.30 3i4m s ILE 143 N -1.23 1.14 -0.22 1.52 1.01 0.95 -3.55 121.20 120.82 3i4m s ILE 143 Ca 0.53 -1.91 0.01 0.00 0.00 0.00 0.00 60.65 59.29 3i4m s ILE 143 Cb -0.38 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.44 3i4m s ILE 143 CO 0.49 -0.66 -0.14 -0.60 0.00 0.00 0.00 174.94 174.03 3i4m s ARG 144 N -3.37 2.69 0.28 2.79 3.52 0.99 0.37 118.95 126.22 3i4m s ARG 144 Ca 0.13 -1.04 0.10 0.00 -0.13 0.00 0.00 55.73 54.78 3i4m s ARG 144 Cb 0.00 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 3i4m s ARG 144 CO 0.01 -0.37 -0.00 0.08 -0.81 0.00 0.00 175.30 174.20 3i4m s VAL 145 N 1.23 3.25 -0.33 7.11 1.01 0.12 -2.34 120.40 130.45 3i4m s VAL 145 Ca -0.01 -1.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 3i4m s VAL 145 Cb -0.16 -2.81 0.07 0.00 0.00 0.00 0.00 36.38 33.48 3i4m s VAL 145 CO -0.09 -0.34 0.05 -0.75 0.00 0.00 0.00 175.10 173.97 3i4m s LYS 146 N -3.68 2.17 -0.57 2.72 2.20 -0.71 -0.74 119.74 121.13 3i4m s LYS 146 Ca 0.32 -1.50 -0.26 0.00 -0.36 0.00 0.00 55.97 54.17 3i4m s LYS 146 Cb -0.05 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 3i4m s LYS 146 CO 0.20 -0.77 2.18 0.42 -0.36 0.00 0.00 175.35 177.02 3i4m s ILE 147 N 1.16 3.15 0.16 5.43 1.01 -0.68 -2.06 121.20 129.37 3i4m s ILE 147 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 3i4m s ILE 147 Cb -0.20 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.87 3i4m s ILE 147 CO -0.03 -0.39 1.56 -0.33 0.00 0.00 0.00 174.94 175.75 3i4m h GLU 148 N 17.23 1.00 -2.71 2.79 4.39 -1.03 1.67 114.58 137.92 3i4m h GLU 148 Ca -0.22 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.03 3i4m h GLU 148 Cb 1.21 -0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.66 3i4m h GLU 148 CO 1.18 1.08 0.13 0.20 -1.16 0.00 0.00 179.01 180.44 3i4m s GLY 149 N -3.68 -0.52 0.22 -3.84 0.00 -0.80 -4.41 107.32 94.30 3i4m s GLY 149 Ca -0.12 0.69 0.09 0.00 0.00 0.00 0.00 44.72 45.39 3i4m s GLY 149 CO 0.87 0.37 -0.07 0.00 0.00 0.00 0.00 173.10 174.27 3i4m n ILE 151 N -0.38 -0.76 -1.68 0.00 5.41 0.49 -4.93 119.36 117.52 3i4m n ILE 151 Ca -0.09 -3.40 -0.61 0.00 1.00 0.00 0.00 62.75 59.65 3i4m n ILE 151 Cb 0.57 -1.36 -0.08 0.00 -0.71 0.00 0.00 39.64 38.06 3i4m n ILE 151 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3i4m n SER 152 N 1.98 1.89 -4.61 4.38 3.41 -1.26 -2.75 113.62 116.67 3i4m n SER 152 Ca 0.23 1.05 -0.25 0.00 -0.26 0.00 0.00 58.87 59.63 3i4m n SER 152 Cb 0.53 -1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 3i4m n SER 152 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i4m s GLN 153 N 3.72 2.00 0.00 4.33 0.74 -1.22 -4.89 119.66 124.33 3i4m s GLN 153 Ca 1.03 -1.81 0.00 0.00 0.05 0.00 0.00 55.36 54.62 3i4m s GLN 153 Cb -1.23 -1.86 0.00 0.00 1.10 0.00 0.00 33.01 31.03 3i4m s GLN 153 CO 0.70 0.13 0.00 0.28 -0.55 0.00 0.00 175.29 175.85 3i4m n VAL 154 N -0.91 0.00 -2.73 1.34 0.31 -1.26 -1.31 118.33 113.76 3i4m n VAL 154 Ca -0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.20 3i4m n VAL 154 Cb 0.63 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.64 3i4m n VAL 154 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i4m n SER 155 N -0.70 -0.96 -2.76 4.52 3.41 -1.26 -4.88 113.62 110.99 3i4m n SER 155 Ca 0.00 -2.75 -0.02 0.00 -0.26 0.00 0.00 58.87 55.83 3i4m n SER 155 Cb 0.00 0.66 0.02 0.00 -0.26 0.00 0.00 64.21 64.63 3i4m n SER 155 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i4m s SER 156 N -1.77 -0.74 -0.37 4.04 1.04 -0.43 -4.81 113.70 110.66 3i4m s SER 156 Ca 0.25 -0.76 -0.31 0.00 0.48 0.00 0.00 55.95 55.60 3i4m s SER 156 Cb 0.39 0.97 -0.09 0.00 0.10 0.00 0.00 66.02 67.39 3i4m s SER 156 CO -0.05 -0.04 2.27 -0.38 0.98 0.00 0.00 173.24 176.02 3i4m n ILE 157 N 3.02 0.18 -2.65 -1.02 5.41 -1.26 -3.45 119.36 119.59 3i4m n ILE 157 Ca 0.12 -0.40 -0.22 0.00 1.00 0.00 0.00 62.75 63.26 3i4m n ILE 157 Cb 0.61 -2.06 0.07 0.00 -0.71 0.00 0.00 39.64 37.55 3i4m n ILE 157 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3i4m s HIS 158 N 8.55 2.16 -0.02 1.39 3.76 -1.11 -4.56 115.29 125.46 3i4m s HIS 158 Ca 1.07 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 55.48 3i4m s HIS 158 Cb -0.61 -2.81 0.10 0.00 1.11 0.00 0.00 32.58 30.38 3i4m s HIS 158 CO 0.41 -1.27 1.02 0.00 -0.85 0.00 0.00 174.74 174.06 3i4m s ALA 159 N -2.92 -1.90 0.06 -1.40 0.00 -1.24 -0.38 121.76 113.99 3i4m s ALA 159 Ca 0.62 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.58 3i4m s ALA 159 Cb -0.08 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3i4m s ALA 159 CO 0.41 -0.78 -0.20 0.42 0.00 0.00 0.00 175.76 175.61 3i4m s ILE 160 N -2.91 1.60 0.12 0.00 1.01 -0.45 -0.99 121.20 119.58 3i4m s ILE 160 Ca 0.09 -1.28 -0.13 0.00 0.00 0.00 0.00 60.65 59.33 3i4m s ILE 160 Cb -0.00 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 41.07 3i4m s ILE 160 CO -0.05 0.10 0.33 -0.83 0.00 0.00 0.00 174.94 174.48 3i4m s GLY 161 N -1.39 -0.13 0.41 6.18 0.00 0.43 -0.42 107.32 112.41 3i4m s GLY 161 Ca 0.06 -0.27 0.08 0.00 0.00 0.00 0.00 44.72 44.59 3i4m s GLY 161 CO 0.02 -0.49 0.32 -1.35 0.00 0.00 0.00 173.10 171.60 3i4m s SER 162 N -2.83 4.88 0.00 1.64 1.04 -0.88 -4.11 113.70 113.45 3i4m s SER 162 Ca 0.04 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3i4m s SER 162 Cb 0.03 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.58 3i4m s SER 162 CO -0.11 -0.60 0.69 2.30 0.98 0.00 0.00 173.24 176.50 3i4m n ILE 163 N -1.45 0.00 1.10 -1.02 -5.35 -0.93 -1.74 119.36 109.98 3i4m n ILE 163 Ca 0.02 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.63 3i4m n ILE 163 Cb 0.62 0.43 0.44 0.00 -1.74 0.00 0.00 39.64 39.39 3i4m n ILE 163 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3i4m n LYS 164 N 0.00 0.21 -0.12 6.28 4.81 -1.15 -4.21 118.16 123.99 3i4m n LYS 164 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 3i4m n LYS 164 Cb 0.60 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.15 3i4m n LYS 164 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i4m n GLU 165 N -1.32 0.22 -2.32 1.64 -0.58 -1.26 -4.79 120.64 112.23 3i4m n GLU 165 Ca 0.08 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.56 3i4m n GLU 165 Cb 0.33 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.24 3i4m n GLU 165 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3i4m s ASP 166 N -1.00 5.25 -0.83 1.62 1.01 -1.26 -3.90 116.67 117.55 3i4m s ASP 166 Ca 0.00 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.84 3i4m s ASP 166 Cb 0.00 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.51 3i4m s ASP 166 CO 0.00 -1.30 0.00 -1.22 0.21 0.00 0.00 175.17 172.86 3i4m n TYR 167 N -2.72 -0.75 -4.47 4.23 4.02 -1.26 -4.89 117.16 111.32 3i4m n TYR 167 Ca 0.06 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.68 3i4m n TYR 167 Cb 0.59 -1.98 -0.13 0.00 -0.02 0.00 0.00 39.34 37.80 3i4m n TYR 167 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i4m s LEU 168 N -3.37 2.27 0.00 7.72 1.43 -1.25 -5.04 118.68 120.44 3i4m s LEU 168 Ca 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3i4m s LEU 168 Cb 0.00 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.11 3i4m s LEU 168 CO 0.00 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3i4m n GLY 169 N 1.19 0.37 3.89 -3.19 0.00 -0.99 -4.83 105.19 101.63 3i4m n GLY 169 Ca -0.18 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 3i4m n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m s ALA 170 N -1.44 2.91 0.00 4.61 0.00 -1.26 -0.01 121.76 126.56 3i4m s ALA 170 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3i4m s ALA 170 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3i4m s ALA 170 CO 0.00 -1.18 0.27 0.44 0.00 0.00 0.00 175.76 175.29