#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm5 n ASN 2 N 0.00 4.64 0.02 7.83 4.13 -1.26 -4.66 115.26 125.96 1mm5 n ASN 2 Ca 0.00 -3.75 -0.08 0.00 1.68 0.00 0.00 54.58 52.43 1mm5 n ASN 2 Cb 0.00 -0.71 -0.06 0.00 -1.54 0.00 0.00 39.78 37.48 1mm5 n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mm5 h ALA 3 N 1.52 -0.16 0.00 5.41 0.00 -2.07 -3.13 119.26 120.83 1mm5 h ALA 3 Ca 0.44 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1mm5 h ALA 3 Cb 1.62 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1mm5 h ALA 3 CO 0.93 -0.19 -0.71 0.38 0.00 0.00 0.00 179.25 179.66 1mm5 h ASP 4 N -0.97 0.00 -0.99 0.00 3.04 -2.01 -3.21 116.42 112.27 1mm5 h ASP 4 Ca -0.02 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.80 1mm5 h ASP 4 Cb 0.43 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.67 1mm5 h ASP 4 CO 0.03 0.71 0.65 -0.08 -2.04 0.00 0.00 179.24 178.51 1mm5 h GLU 5 N 0.00 1.25 -0.34 4.15 4.81 -1.83 -1.54 114.58 121.07 1mm5 h GLU 5 Ca -0.01 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1mm5 h GLU 5 Cb 1.34 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1mm5 h GLU 5 CO 0.09 0.82 0.03 -1.49 -0.73 0.00 0.00 179.01 177.74 1mm5 h TRP 6 N 1.28 0.53 -0.07 0.92 4.06 -1.54 -2.18 115.95 118.94 1mm5 h TRP 6 Ca 0.39 -0.04 -0.11 0.00 2.06 0.00 0.00 58.89 61.18 1mm5 h TRP 6 Cb -0.04 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 1mm5 h TRP 6 CO -0.00 0.50 -0.45 0.52 -3.56 0.00 0.00 178.44 175.45 1mm5 h MET 7 N 0.50 0.17 -0.54 0.49 2.86 -1.39 -1.12 114.93 115.90 1mm5 h MET 7 Ca 0.11 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1mm5 h MET 7 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1mm5 h MET 7 CO 0.00 0.59 0.11 1.15 1.06 0.00 0.00 176.91 179.83 1mm5 h THR 8 N 0.14 1.25 0.02 2.22 2.02 -0.91 0.48 112.91 118.13 1mm5 h THR 8 Ca 0.01 -0.91 -0.26 0.00 0.77 0.00 0.00 66.41 66.02 1mm5 h THR 8 Cb 0.86 0.81 0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1mm5 h THR 8 CO 0.07 0.33 -1.04 0.71 0.37 0.00 0.00 175.52 175.96 1mm5 h THR 9 N 0.77 1.33 -0.25 3.16 1.35 -1.41 -2.97 112.91 114.89 1mm5 h THR 9 Ca 0.17 -2.36 -0.14 0.00 -0.55 0.00 0.00 66.41 63.52 1mm5 h THR 9 Cb 0.37 2.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1mm5 h THR 9 CO 0.01 0.72 -0.41 0.15 -0.25 0.00 0.00 175.52 175.74 1mm5 h PHE 10 N 0.32 0.89 -0.94 4.73 3.04 -1.12 -2.98 116.94 120.88 1mm5 h PHE 10 Ca -0.12 -0.31 0.02 0.00 3.98 0.00 0.00 57.97 61.55 1mm5 h PHE 10 Cb 1.69 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 39.97 1mm5 h PHE 10 CO 0.09 1.08 0.62 -0.09 -2.02 0.00 0.00 178.31 177.99 1mm5 h ARG 11 N 0.44 1.21 -0.10 1.11 1.12 -0.11 -0.67 114.38 117.38 1mm5 h ARG 11 Ca 0.02 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 58.77 1mm5 h ARG 11 Cb 1.00 -0.27 -0.01 0.00 -0.01 0.00 0.00 29.97 30.68 1mm5 h ARG 11 CO 0.09 0.80 -0.15 1.49 -3.11 0.00 0.00 179.97 179.09 1mm5 h GLU 12 N 1.25 0.16 0.18 0.20 4.81 -1.49 0.69 114.58 120.37 1mm5 h GLU 12 Ca 0.36 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1mm5 h GLU 12 Cb -0.09 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1mm5 h GLU 12 CO -0.09 0.32 -0.08 -0.97 -0.73 0.00 0.00 179.01 177.45 1mm5 h ASN 13 N 0.15 -0.20 0.04 1.04 -0.73 -1.12 -2.83 115.58 111.93 1mm5 h ASN 13 Ca 0.03 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 57.98 1mm5 h ASN 13 Cb 0.37 0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.01 1mm5 h ASN 13 CO 0.02 0.35 -0.04 0.16 -0.37 0.00 0.00 177.43 177.55 1mm5 h ILE 14 N -0.99 1.01 0.04 2.57 3.07 -1.14 -2.56 117.51 119.51 1mm5 h ILE 14 Ca -0.02 -0.13 -0.00 0.00 1.55 0.00 0.00 64.86 66.25 1mm5 h ILE 14 Cb 0.41 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 1mm5 h ILE 14 CO 0.04 0.04 -0.02 0.00 -1.05 0.00 0.00 178.15 177.16 1mm5 h ALA 15 N 1.96 -0.06 -0.30 0.16 0.00 -0.93 -2.41 119.26 117.68 1mm5 h ALA 15 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1mm5 h ALA 15 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mm5 h ALA 15 CO 0.01 -0.36 0.20 1.96 0.00 0.00 0.00 179.25 181.06 1mm5 h GLN 16 N -0.40 0.29 -0.02 0.00 1.08 -1.21 -0.08 115.11 114.78 1mm5 h GLN 16 Ca -0.01 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 1mm5 h GLN 16 Cb 0.37 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1mm5 h GLN 16 CO 0.01 0.19 -0.56 1.15 -0.95 0.00 0.00 178.83 178.67 1mm5 h THR 17 N 0.30 1.40 0.00 -0.54 2.02 -1.33 -0.27 112.91 114.49 1mm5 h THR 17 Ca 0.12 -1.91 -0.00 0.00 0.77 0.00 0.00 66.41 65.39 1mm5 h THR 17 Cb 0.12 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1mm5 h THR 17 CO -0.03 0.55 -0.02 -0.25 0.37 0.00 0.00 175.52 176.15 1mm5 h TRP 18 N 0.04 0.00 -0.79 3.16 7.01 -0.65 -3.36 115.95 121.37 1mm5 h TRP 18 Ca -0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1mm5 h TRP 18 Cb 1.00 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.02 1mm5 h TRP 18 CO 0.00 0.36 0.45 -0.56 -2.79 0.00 0.00 178.44 175.90 1mm5 h GLN 19 N -1.00 1.08 -5.82 2.65 3.07 -1.17 -3.43 115.11 110.49 1mm5 h GLN 19 Ca -0.00 -0.11 -0.55 0.00 0.09 0.00 0.00 58.65 58.08 1mm5 h GLN 19 Cb 0.37 -0.22 -0.27 0.00 0.08 0.00 0.00 27.48 27.44 1mm5 h GLN 19 CO -0.00 0.78 -0.83 -1.14 0.09 0.00 0.00 178.83 177.73 1mm5 s GLN 20 N -5.75 1.32 0.16 0.06 0.74 -0.11 -4.90 119.66 111.18 1mm5 s GLN 20 Ca -0.11 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 54.45 1mm5 s GLN 20 Cb 0.17 -1.37 0.02 0.00 1.10 0.00 0.00 33.01 32.94 1mm5 s GLN 20 CO 0.80 0.36 1.41 -1.00 -0.55 0.00 0.00 175.29 176.31 1mm5 h PRO 21 N 5.14 0.46 -5.16 1.67 0.13 -1.78 -3.31 132.00 129.14 1mm5 h PRO 21 Ca -0.40 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1mm5 h PRO 21 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1mm5 h PRO 21 CO 0.45 1.01 -0.37 0.39 -0.23 0.00 0.00 178.00 179.26 1mm5 n GLU 22 N -3.85 -2.02 -3.65 0.86 -0.58 -1.26 -4.96 120.64 105.18 1mm5 n GLU 22 Ca -0.05 1.90 -0.06 0.00 -0.42 0.00 0.00 57.16 58.54 1mm5 n GLU 22 Cb 0.72 -5.46 -0.07 0.00 -0.57 0.00 0.00 31.44 26.06 1mm5 n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1mm5 s HIS 23 N -2.62 -1.09 -0.42 -0.32 3.76 -1.26 -4.30 115.29 109.04 1mm5 s HIS 23 Ca 0.18 2.08 -0.15 0.00 -0.15 0.00 0.00 55.06 57.02 1mm5 s HIS 23 Cb -0.05 0.63 0.03 0.00 1.11 0.00 0.00 32.58 34.30 1mm5 s HIS 23 CO 0.72 -0.55 0.31 0.71 -0.85 0.00 0.00 174.74 175.08 1mm5 s TYR 24 N 2.01 3.24 0.14 1.40 1.51 -1.00 -4.60 117.35 120.06 1mm5 s TYR 24 Ca -0.08 -0.64 -0.10 0.00 -1.01 0.00 0.00 57.07 55.24 1mm5 s TYR 24 Cb -0.08 -2.66 -0.06 0.00 -0.11 0.00 0.00 41.96 39.05 1mm5 s TYR 24 CO -0.19 -0.62 0.46 -0.51 -1.11 0.00 0.00 175.55 173.59 1mm5 s ASP 25 N 1.79 6.64 0.22 2.29 1.01 -0.99 -2.06 116.67 125.57 1mm5 s ASP 25 Ca 0.05 0.84 0.05 0.00 0.71 0.00 0.00 52.55 54.20 1mm5 s ASP 25 Cb -0.20 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1mm5 s ASP 25 CO 0.09 0.07 0.28 -0.76 0.21 0.00 0.00 175.17 175.07 1mm5 s LEU 26 N -2.29 4.13 -0.02 1.23 1.02 -0.27 -0.46 118.68 122.02 1mm5 s LEU 26 Ca 0.39 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.53 1mm5 s LEU 26 Cb -0.13 -2.69 0.02 0.00 0.02 0.00 0.00 46.19 43.41 1mm5 s LEU 26 CO 0.20 -0.02 0.00 -0.31 0.02 0.00 0.00 176.35 176.24 1mm5 s TYR 27 N -1.95 0.24 -0.21 0.29 2.02 0.42 -2.59 117.35 115.57 1mm5 s TYR 27 Ca 0.33 0.01 -0.19 0.00 -0.37 0.00 0.00 57.07 56.86 1mm5 s TYR 27 Cb -0.09 -0.32 0.06 0.00 -0.40 0.00 0.00 41.96 41.21 1mm5 s TYR 27 CO 0.27 -0.09 0.56 -1.50 -1.57 0.00 0.00 175.55 173.22 1mm5 s ILE 28 N 0.79 -0.00 0.70 2.71 2.07 -1.03 -2.27 121.20 124.16 1mm5 s ILE 28 Ca -0.08 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.01 1mm5 s ILE 28 Cb -0.11 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 1mm5 s ILE 28 CO -0.02 0.00 0.66 -2.65 -1.91 0.00 0.00 174.94 171.02 1mm5 n PRO 29 N 2.93 0.39 0.03 3.50 -0.02 -1.26 -2.23 135.00 138.34 1mm5 n PRO 29 Ca -0.14 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1mm5 n PRO 29 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1mm5 n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mm5 n ALA 30 N -2.34 3.00 -2.97 3.55 0.00 -1.07 -4.66 120.51 116.02 1mm5 n ALA 30 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1mm5 n ALA 30 Cb 0.49 0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 1mm5 n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mm5 s ILE 31 N -1.29 -0.01 0.08 0.00 1.09 -1.18 -5.04 121.20 114.86 1mm5 s ILE 31 Ca 0.00 0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.61 1mm5 s ILE 31 Cb 0.00 -0.03 -0.03 0.00 -1.06 0.00 0.00 42.46 41.34 1mm5 s ILE 31 CO 0.00 0.01 -0.10 -0.89 -0.10 0.00 0.00 174.94 173.86 1mm5 s THR 32 N 0.12 0.85 0.03 2.92 2.01 -1.26 -2.26 115.64 118.04 1mm5 s THR 32 Ca -0.01 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 60.35 1mm5 s THR 32 Cb -0.01 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.29 1mm5 s THR 32 CO -0.00 -0.53 0.23 0.26 -0.69 0.00 0.00 174.62 173.89 1mm5 s TRP 33 N -2.25 -0.01 -0.25 4.92 0.51 -1.26 -5.09 118.94 115.51 1mm5 s TRP 33 Ca 0.02 -0.13 -0.04 0.00 -2.12 0.00 0.00 56.10 53.84 1mm5 s TRP 33 Cb -0.04 0.01 0.00 0.00 -0.81 0.00 0.00 33.47 32.63 1mm5 s TRP 33 CO -0.00 -0.42 -0.01 -1.01 -0.51 0.00 0.00 176.95 175.00 1mm5 s HIS 34 N -2.21 3.04 -0.79 -1.98 3.76 -1.26 -4.70 115.29 111.14 1mm5 s HIS 34 Ca -0.08 -1.08 -0.13 0.00 -0.15 0.00 0.00 55.06 53.62 1mm5 s HIS 34 Cb -0.03 -2.13 0.21 0.00 1.11 0.00 0.00 32.58 31.74 1mm5 s HIS 34 CO -0.02 -0.59 0.72 0.00 -0.85 0.00 0.00 174.74 173.99 1mm5 s ALA 35 N 1.45 4.00 -0.02 -1.40 0.00 -1.26 -4.70 121.76 119.83 1mm5 s ALA 35 Ca 0.04 -3.25 0.07 0.00 0.00 0.00 0.00 51.96 48.81 1mm5 s ALA 35 Cb -0.16 -3.42 0.13 0.00 0.00 0.00 0.00 23.12 19.67 1mm5 s ALA 35 CO -0.02 -2.24 1.07 0.54 0.00 0.00 0.00 175.76 175.11 1mm5 n ARG 36 N 4.03 0.10 -3.16 0.00 1.74 -1.26 -4.93 116.66 113.18 1mm5 n ARG 36 Ca 0.11 -1.28 -0.23 0.00 -0.77 0.00 0.00 57.85 55.68 1mm5 n ARG 36 Cb 0.46 0.35 0.04 0.00 -1.02 0.00 0.00 32.46 32.28 1mm5 n ARG 36 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mm5 n PHE 37 N 0.02 -2.14 -2.90 -1.55 3.01 -1.26 -4.97 117.46 107.66 1mm5 n PHE 37 Ca -0.19 0.62 -0.31 0.00 1.01 0.00 0.00 57.45 58.58 1mm5 n PHE 37 Cb 0.81 -4.52 -0.04 0.00 -0.01 0.00 0.00 39.48 35.72 1mm5 n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mm5 s ALA 38 N -3.20 3.32 -1.00 4.37 0.00 -1.26 -4.93 121.76 119.06 1mm5 s ALA 38 Ca 0.37 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 1mm5 s ALA 38 Cb -0.17 -2.75 -0.17 0.00 0.00 0.00 0.00 23.12 20.04 1mm5 s ALA 38 CO 0.46 0.07 2.16 -0.47 0.00 0.00 0.00 175.76 177.97 1mm5 s TYR 39 N -2.28 1.35 -0.23 0.00 6.14 -1.26 -4.85 117.35 116.22 1mm5 s TYR 39 Ca 0.52 1.82 0.01 0.00 0.64 0.00 0.00 57.07 60.06 1mm5 s TYR 39 Cb -0.10 -3.51 0.06 0.00 0.42 0.00 0.00 41.96 38.82 1mm5 s TYR 39 CO 0.28 -1.09 -0.07 -0.51 0.64 0.00 0.00 175.55 174.80 1mm5 s ASP 40 N 8.85 3.82 0.03 4.32 1.11 -1.26 -4.06 116.67 129.48 1mm5 s ASP 40 Ca 0.82 -1.14 0.00 0.00 0.18 0.00 0.00 52.55 52.40 1mm5 s ASP 40 Cb -0.07 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 42.71 1mm5 s ASP 40 CO 0.13 -0.22 0.00 1.17 1.18 0.00 0.00 175.17 177.43 1mm5 n LYS 41 N 4.65 0.00 -1.04 8.23 4.81 -1.26 -5.00 118.16 128.55 1mm5 n LYS 41 Ca -0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.26 1mm5 n LYS 41 Cb 0.44 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.44 1mm5 n LYS 41 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1mm5 n GLU 42 N -2.04 0.00 -0.02 1.64 -0.00 -1.26 -4.94 120.64 114.02 1mm5 n GLU 42 Ca 0.00 -1.09 -0.03 0.00 -0.00 0.00 0.00 57.16 56.05 1mm5 n GLU 42 Cb 0.00 0.41 -0.02 0.00 -0.00 0.00 0.00 31.44 31.83 1mm5 n GLU 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1mm5 n LYS 43 N 0.06 0.99 -2.52 3.44 3.00 -1.26 -5.11 118.16 116.77 1mm5 n LYS 43 Ca -0.22 0.02 -0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1mm5 n LYS 43 Cb 0.75 -1.08 -0.00 0.00 0.00 0.00 0.00 35.03 34.70 1mm5 n LYS 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1mm5 n THR 44 N -2.49-10.63 0.25 3.15 -1.04 -1.26 -4.88 114.28 97.39 1mm5 n THR 44 Ca -0.07 1.64 0.11 0.00 -2.04 0.00 0.00 64.05 63.69 1mm5 n THR 44 Cb 0.58 -6.47 0.66 0.00 -1.82 0.00 0.00 70.33 63.28 1mm5 n THR 44 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1mm5 h ASP 45 N 2.66 0.00 -2.22 8.00 3.58 -2.00 -3.48 116.42 122.96 1mm5 h ASP 45 Ca -0.04 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.48 1mm5 h ASP 45 Cb 0.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1mm5 h ASP 45 CO 0.08 0.15 -0.09 0.54 -2.88 0.00 0.00 179.24 177.03 1mm5 n ARG 46 N -3.71 -0.52 -2.56 0.28 1.74 -1.26 -4.90 116.66 105.71 1mm5 n ARG 46 Ca -0.02 0.35 -0.20 0.00 -0.77 0.00 0.00 57.85 57.21 1mm5 n ARG 46 Cb 0.26 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 1mm5 n ARG 46 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1mm5 n TYR 47 N -1.93 -1.22 -3.38 -1.55 9.36 -1.26 -4.99 117.16 112.18 1mm5 n TYR 47 Ca 0.00 0.16 -0.19 0.00 3.32 0.00 0.00 57.90 61.19 1mm5 n TYR 47 Cb 0.12 -3.96 -0.01 0.00 -0.63 0.00 0.00 39.34 34.87 1mm5 n TYR 47 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1mm5 s ASN 48 N -2.31 5.71 0.30 2.98 2.20 -1.26 -5.12 114.94 117.44 1mm5 s ASN 48 Ca 0.09 -0.34 -0.03 0.00 -0.94 0.00 0.00 52.86 51.64 1mm5 s ASN 48 Cb -0.04 -0.97 -0.05 0.00 -2.00 0.00 0.00 41.25 38.20 1mm5 s ASN 48 CO 0.11 -0.54 0.54 -1.61 -2.94 0.00 0.00 177.10 172.66 1mm5 s GLU 49 N -4.20 3.58 -0.27 3.55 8.01 -1.26 -5.09 118.70 123.01 1mm5 s GLU 49 Ca 0.48 -0.12 0.00 0.00 0.01 0.00 0.00 54.97 55.34 1mm5 s GLU 49 Cb -0.09 -2.67 0.08 0.00 -4.31 0.00 0.00 34.13 27.15 1mm5 s GLU 49 CO 0.31 0.21 0.03 -0.98 0.01 0.00 0.00 175.26 174.83 1mm5 s ARG 50 N -3.75 1.14 0.90 1.61 1.70 -1.26 -5.13 118.95 114.16 1mm5 s ARG 50 Ca 0.42 -1.06 -0.14 0.00 -0.47 0.00 0.00 55.73 54.48 1mm5 s ARG 50 Cb -0.10 -2.40 -0.01 0.00 -0.57 0.00 0.00 34.95 31.86 1mm5 s ARG 50 CO 0.32 -0.79 0.24 -2.30 -1.08 0.00 0.00 175.30 171.69 1mm5 n PRO 51 N 4.73 -0.12 -3.31 3.89 -0.02 -1.26 -5.03 135.00 133.88 1mm5 n PRO 51 Ca -0.06 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1mm5 n PRO 51 Cb 0.43 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1mm5 n PRO 51 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mm5 s TRP 52 N -2.23 -0.92 0.00 6.00 0.52 -1.26 -5.08 118.94 115.97 1mm5 s TRP 52 Ca 0.56 1.26 0.00 0.00 0.02 0.00 0.00 56.10 57.94 1mm5 s TRP 52 Cb -0.24 0.43 0.00 0.00 -1.15 0.00 0.00 33.47 32.51 1mm5 s TRP 52 CO 0.68 -0.48 0.00 0.41 0.02 0.00 0.00 176.95 177.58 1mm5 n GLY 53 N 5.27 0.75 1.10 0.98 0.00 -1.26 -1.94 105.19 110.09 1mm5 n GLY 53 Ca -0.07 -1.23 -0.00 0.00 0.00 0.00 0.00 46.02 44.72 1mm5 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm5 n GLY 54 N -1.04 0.84 0.00 -0.02 0.00 0.29 -4.22 105.19 101.04 1mm5 n GLY 54 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1mm5 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm5 n GLY 55 N -0.23 -1.28 3.77 -0.02 0.00 -0.96 -0.45 105.19 106.02 1mm5 n GLY 55 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 1mm5 n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm5 s PHE 56 N -2.97 2.19 0.15 1.61 0.40 -0.67 -0.43 117.98 118.26 1mm5 s PHE 56 Ca 0.00 -0.74 -0.14 0.00 -0.60 0.00 0.00 56.93 55.44 1mm5 s PHE 56 Cb 0.00 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1mm5 s PHE 56 CO 0.00 0.06 0.40 0.20 0.70 0.00 0.00 175.22 176.58 1mm5 s GLY 57 N -3.97 -0.02 -0.03 4.36 0.00 0.39 -0.73 107.32 107.32 1mm5 s GLY 57 Ca 0.30 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1mm5 s GLY 57 CO 0.17 -0.45 -0.03 1.08 0.00 0.00 0.00 173.10 173.88 1mm5 s LEU 58 N -2.87 1.39 0.40 0.66 1.43 0.31 -2.35 118.68 117.66 1mm5 s LEU 58 Ca 0.08 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1mm5 s LEU 58 Cb 0.01 -0.31 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 1mm5 s LEU 58 CO -0.06 -0.05 0.40 -0.44 0.23 0.00 0.00 176.35 176.42 1mm5 s SER 59 N 0.75 5.21 -0.15 2.29 0.01 -1.26 -1.51 113.70 119.05 1mm5 s SER 59 Ca -0.09 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.42 1mm5 s SER 59 Cb -0.12 -0.67 0.04 0.00 0.21 0.00 0.00 66.02 65.48 1mm5 s SER 59 CO -0.01 -0.61 0.38 -0.60 0.41 0.00 0.00 173.24 172.81 1mm5 s ARG 60 N -4.14 0.42 -0.25 12.44 6.06 0.41 -4.75 118.95 129.14 1mm5 s ARG 60 Ca 0.48 0.57 -0.11 0.00 -2.50 0.00 0.00 55.73 54.18 1mm5 s ARG 60 Cb -0.05 0.15 -0.05 0.00 0.06 0.00 0.00 34.95 35.07 1mm5 s ARG 60 CO 0.29 -0.08 0.17 -0.46 -2.50 0.00 0.00 175.30 172.71 1mm5 s TRP 61 N 0.47 3.30 0.16 5.12 -0.00 -1.26 -1.36 118.94 125.37 1mm5 s TRP 61 Ca -0.02 0.21 -0.19 0.00 -0.00 0.00 0.00 56.10 56.10 1mm5 s TRP 61 Cb -0.04 -2.29 -0.07 0.00 -0.00 0.00 0.00 33.47 31.06 1mm5 s TRP 61 CO -0.02 0.02 0.65 0.34 -0.00 0.00 0.00 176.95 177.94 1mm5 s ASP 62 N 1.19 7.03 0.63 5.86 -1.08 0.45 -4.91 116.67 125.83 1mm5 s ASP 62 Ca 0.07 1.31 0.30 0.00 -0.52 0.00 0.00 52.55 53.72 1mm5 s ASP 62 Cb -0.14 -2.38 1.63 0.00 -1.46 0.00 0.00 42.92 40.58 1mm5 s ASP 62 CO 0.06 0.12 1.98 -0.08 0.52 0.00 0.00 175.17 177.77 1mm5 h GLU 63 N 3.80 0.00 -1.17 4.34 4.57 -1.98 -0.06 114.58 124.08 1mm5 h GLU 63 Ca -0.48 0.00 -0.40 0.00 -1.18 0.00 0.00 59.36 57.30 1mm5 h GLU 63 Cb 1.20 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 29.59 1mm5 h GLU 63 CO 0.65 0.00 0.51 1.63 -1.18 0.00 0.00 179.01 180.62 1mm5 n LYS 64 N -3.36 1.98 -3.54 1.92 5.02 -1.26 -4.86 118.16 114.06 1mm5 n LYS 64 Ca 0.02 -2.10 -0.20 0.00 -2.02 0.00 0.00 58.31 54.02 1mm5 n LYS 64 Cb 0.44 -1.82 0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1mm5 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mm5 n GLY 65 N -0.35 -0.47 3.43 0.72 0.00 -0.06 -5.01 105.19 103.45 1mm5 n GLY 65 Ca 0.41 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 1mm5 n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm5 s ASN 66 N -4.18 3.35 -0.33 1.61 2.47 -1.08 -4.80 114.94 111.97 1mm5 s ASN 66 Ca 0.09 -0.99 -0.01 0.00 0.42 0.00 0.00 52.86 52.36 1mm5 s ASN 66 Cb -0.02 -0.26 0.12 0.00 -1.45 0.00 0.00 41.25 39.64 1mm5 s ASN 66 CO 0.78 0.01 0.16 0.86 -3.72 0.00 0.00 177.10 175.19 1mm5 s TRP 67 N -2.42 1.00 0.07 0.43 -0.11 -1.04 -0.41 118.94 116.45 1mm5 s TRP 67 Ca 0.26 -1.50 0.03 0.00 1.22 0.00 0.00 56.10 56.12 1mm5 s TRP 67 Cb -0.05 -1.24 -0.03 0.00 -1.50 0.00 0.00 33.47 30.65 1mm5 s TRP 67 CO 0.12 -0.84 -0.10 -3.38 -4.62 0.00 0.00 176.95 168.14 1mm5 s HIS 68 N 1.48 0.91 0.05 5.86 -3.43 -0.46 -1.76 115.29 117.93 1mm5 s HIS 68 Ca 0.13 -0.56 -0.27 0.00 -0.80 0.00 0.00 55.06 53.55 1mm5 s HIS 68 Cb -0.19 -0.52 0.10 0.00 -1.43 0.00 0.00 32.58 30.53 1mm5 s HIS 68 CO -0.19 -0.04 1.20 0.20 -2.00 0.00 0.00 174.74 173.91 1mm5 s GLY 69 N -1.94 -0.19 0.28 -1.38 0.00 -1.07 -0.45 107.32 102.58 1mm5 s GLY 69 Ca -0.03 0.20 0.07 0.00 0.00 0.00 0.00 44.72 44.96 1mm5 s GLY 69 CO 0.00 2.35 0.29 0.48 0.00 0.00 0.00 173.10 176.22 1mm5 s LEU 70 N -3.33 3.86 -0.13 0.66 2.34 -0.57 -2.41 118.68 119.11 1mm5 s LEU 70 Ca 0.20 -0.25 -0.04 0.00 0.06 0.00 0.00 54.13 54.10 1mm5 s LEU 70 Cb 0.01 -2.45 0.06 0.00 -0.56 0.00 0.00 46.19 43.25 1mm5 s LEU 70 CO -0.00 -0.18 0.24 -0.72 -1.06 0.00 0.00 176.35 174.62 1mm5 s TYR 71 N -2.16 -0.36 -0.35 3.48 -0.85 -0.88 -0.53 117.35 115.70 1mm5 s TYR 71 Ca 0.37 0.82 -0.19 0.00 -0.52 0.00 0.00 57.07 57.55 1mm5 s TYR 71 Cb -0.08 -0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.15 1mm5 s TYR 71 CO 0.27 -0.37 0.56 0.00 -1.52 0.00 0.00 175.55 174.50 1mm5 s ALA 72 N 2.39 3.47 0.51 9.51 0.00 0.09 -2.62 121.76 135.10 1mm5 s ALA 72 Ca 0.02 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1mm5 s ALA 72 Cb -0.12 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 19.96 1mm5 s ALA 72 CO -0.08 -1.28 0.61 -1.64 0.00 0.00 0.00 175.76 173.37 1mm5 s MET 73 N 2.52 2.46 -0.16 0.00 -1.94 0.45 -1.67 119.30 120.96 1mm5 s MET 73 Ca 0.21 -1.59 -0.09 0.00 -1.71 0.00 0.00 55.69 52.51 1mm5 s MET 73 Cb -0.15 -2.54 0.06 0.00 2.01 0.00 0.00 34.83 34.20 1mm5 s MET 73 CO 0.14 -0.58 0.38 0.00 -0.01 0.00 0.00 175.02 174.95 1mm5 s ALA 74 N -2.58 -0.96 -0.23 3.03 0.00 0.40 -2.61 121.76 118.81 1mm5 s ALA 74 Ca 0.54 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 1mm5 s ALA 74 Cb -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.22 1mm5 s ALA 74 CO 0.33 -0.25 -0.09 -0.06 0.00 0.00 0.00 175.76 175.69 1mm5 s PHE 75 N 1.32 3.02 0.01 0.00 0.08 -1.07 -0.55 117.98 120.79 1mm5 s PHE 75 Ca -0.09 -1.60 -0.27 0.00 0.12 0.00 0.00 56.93 55.09 1mm5 s PHE 75 Cb -0.08 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1mm5 s PHE 75 CO -0.11 -0.75 0.85 0.15 -0.10 0.00 0.00 175.22 175.26 1mm5 s LYS 76 N 1.31 4.53 -0.09 0.44 1.02 -0.82 -2.21 119.74 123.93 1mm5 s LYS 76 Ca 0.01 1.19 0.03 0.00 0.02 0.00 0.00 55.97 57.21 1mm5 s LYS 76 Cb -0.16 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1mm5 s LYS 76 CO -0.06 0.11 -0.16 0.34 -0.92 0.00 0.00 175.35 174.65 1mm5 s ASP 77 N 0.52 3.81 0.66 2.83 3.68 -1.26 -4.79 116.67 122.12 1mm5 s ASP 77 Ca 0.44 -0.32 0.41 0.00 2.13 0.00 0.00 52.55 55.21 1mm5 s ASP 77 Cb -0.20 -1.19 2.28 0.00 -1.45 0.00 0.00 42.92 42.36 1mm5 s ASP 77 CO 0.24 0.25 2.31 0.28 0.13 0.00 0.00 175.17 178.38 1mm5 h SER 78 N 6.09 0.00 0.00 -0.34 0.02 -1.96 -3.30 113.55 114.05 1mm5 h SER 78 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1mm5 h SER 78 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1mm5 h SER 78 CO 0.52 0.00 -0.59 0.79 -1.14 0.00 0.00 176.83 176.41 1mm5 n TRP 79 N -3.17 0.00 -0.08 3.45 8.01 -1.26 -5.09 117.44 119.30 1mm5 n TRP 79 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 1mm5 n TRP 79 Cb 0.11 0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 1mm5 n TRP 79 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1mm5 n ASN 80 N -2.43 -0.16 -4.60 -0.99 2.85 -1.24 -5.09 115.26 103.59 1mm5 n ASN 80 Ca 0.00 -0.08 -0.32 0.00 -0.11 0.00 0.00 54.58 54.07 1mm5 n ASN 80 Cb 0.29 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.24 1mm5 n ASN 80 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1mm5 s LYS 81 N -0.48 2.17 0.11 1.20 2.20 -1.26 -4.45 119.74 119.23 1mm5 s LYS 81 Ca 0.00 -2.40 -0.31 0.00 -0.36 0.00 0.00 55.97 52.90 1mm5 s LYS 81 Cb 0.00 -1.28 -0.10 0.00 -1.51 0.00 0.00 37.83 34.94 1mm5 s LYS 81 CO 0.00 -0.44 1.87 -1.58 -0.36 0.00 0.00 175.35 174.84 1mm5 s TRP 82 N -2.97 1.96 -0.52 4.03 0.51 -1.26 -4.29 118.94 116.39 1mm5 s TRP 82 Ca 0.06 -0.13 -0.11 0.00 -2.12 0.00 0.00 56.10 53.80 1mm5 s TRP 82 Cb 0.01 -4.21 0.13 0.00 -0.81 0.00 0.00 33.47 28.59 1mm5 s TRP 82 CO 0.04 -5.07 0.42 -1.21 -0.51 0.00 0.00 176.95 170.62 1mm5 s GLU 83 N 3.09 2.70 0.45 4.98 2.02 -0.94 -4.88 118.70 126.13 1mm5 s GLU 83 Ca 0.83 -1.82 -0.22 0.00 0.02 0.00 0.00 54.97 53.78 1mm5 s GLU 83 Cb -0.46 -4.06 -0.08 0.00 0.10 0.00 0.00 34.13 29.62 1mm5 s GLU 83 CO 0.38 -1.24 1.06 -1.25 0.02 0.00 0.00 175.26 174.22 1mm5 s PRO 84 N 1.31 3.92 -0.15 0.39 0.04 -1.26 -2.60 135.00 136.64 1mm5 s PRO 84 Ca 0.06 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1mm5 s PRO 84 Cb -0.26 -2.29 0.07 0.00 0.04 0.00 0.00 34.50 32.06 1mm5 s PRO 84 CO -0.00 -0.35 0.33 0.42 0.04 0.00 0.00 177.00 177.44 1mm5 s ILE 85 N -1.81 -0.29 -0.22 0.56 1.01 -1.07 -2.35 121.20 117.03 1mm5 s ILE 85 Ca 0.64 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.45 1mm5 s ILE 85 Cb -0.20 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.76 1mm5 s ILE 85 CO 0.24 0.07 -0.09 0.00 0.00 0.00 0.00 174.94 175.16 1mm5 s ALA 86 N 1.95 2.64 -0.06 9.38 0.00 -1.07 -0.41 121.76 134.19 1mm5 s ALA 86 Ca -0.05 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.66 1mm5 s ALA 86 Cb -0.11 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1mm5 s ALA 86 CO -0.11 -0.58 -0.24 0.20 0.00 0.00 0.00 175.76 175.03 1mm5 s GLY 87 N 1.36 1.32 -0.30 0.00 0.00 -1.08 -1.97 107.32 106.65 1mm5 s GLY 87 Ca 0.03 -1.05 -0.06 0.00 0.00 0.00 0.00 44.72 43.65 1mm5 s GLY 87 CO -0.06 -0.67 0.06 -0.47 0.00 0.00 0.00 173.10 171.96 1mm5 s TYR 88 N -0.22 3.16 0.03 1.90 6.14 -0.96 -2.07 117.35 125.32 1mm5 s TYR 88 Ca -0.02 -1.21 0.08 0.00 0.64 0.00 0.00 57.07 56.57 1mm5 s TYR 88 Cb -0.13 -2.22 -0.02 0.00 0.42 0.00 0.00 41.96 40.00 1mm5 s TYR 88 CO 0.03 -0.64 -0.23 0.20 0.64 0.00 0.00 175.55 175.55 1mm5 s GLY 89 N 1.44 1.21 -0.17 8.97 0.00 -1.01 -0.41 107.32 117.35 1mm5 s GLY 89 Ca 0.01 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1mm5 s GLY 89 CO 0.01 -0.99 -0.20 0.66 0.00 0.00 0.00 173.10 172.57 1mm5 s TRP 90 N -0.73 2.76 0.22 1.90 -2.14 -0.42 -2.59 118.94 117.93 1mm5 s TRP 90 Ca 0.09 -1.59 0.01 0.00 2.66 0.00 0.00 56.10 57.27 1mm5 s TRP 90 Cb -0.09 -1.90 -0.05 0.00 -3.10 0.00 0.00 33.47 28.33 1mm5 s TRP 90 CO 0.01 -0.77 0.07 -1.83 -2.66 0.00 0.00 176.95 171.77 1mm5 s GLU 91 N 1.20 1.27 -0.18 3.25 1.03 -0.72 -2.35 118.70 122.19 1mm5 s GLU 91 Ca 0.03 -1.66 -0.07 0.00 0.03 0.00 0.00 54.97 53.30 1mm5 s GLU 91 Cb -0.13 -0.19 -0.04 0.00 -0.80 0.00 0.00 34.13 32.97 1mm5 s GLU 91 CO -0.11 -0.25 0.06 0.45 -1.33 0.00 0.00 175.26 174.08 1mm5 s SER 92 N -3.24 5.61 -0.18 0.83 0.15 -0.05 -2.49 113.70 114.32 1mm5 s SER 92 Ca 0.33 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.94 1mm5 s SER 92 Cb 0.07 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1mm5 s SER 92 CO 0.10 0.17 0.19 -0.89 1.20 0.00 0.00 173.24 174.01 1mm5 s THR 93 N 0.37 5.37 0.02 6.45 2.01 -1.26 -2.59 115.64 126.01 1mm5 s THR 93 Ca 0.03 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1mm5 s THR 93 Cb -0.12 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1mm5 s THR 93 CO 0.00 0.42 -0.07 0.86 -0.69 0.00 0.00 174.62 175.15 1mm5 s TRP 94 N 0.40 0.58 0.09 4.92 -0.11 -0.43 -5.00 118.94 119.38 1mm5 s TRP 94 Ca 0.11 -0.34 0.08 0.00 1.22 0.00 0.00 56.10 57.17 1mm5 s TRP 94 Cb -0.12 -0.35 -0.03 0.00 -1.50 0.00 0.00 33.47 31.47 1mm5 s TRP 94 CO 0.00 -0.06 -0.21 -0.98 -4.62 0.00 0.00 176.95 171.09 1mm5 s ARG 95 N -1.02 1.20 0.00 5.86 1.70 -1.26 -2.20 118.95 123.22 1mm5 s ARG 95 Ca -0.06 -1.10 0.00 0.00 -0.47 0.00 0.00 55.73 54.10 1mm5 s ARG 95 Cb -0.07 -1.42 0.00 0.00 -0.57 0.00 0.00 34.95 32.89 1mm5 s ARG 95 CO 0.00 0.34 0.00 -0.35 -1.08 0.00 0.00 175.30 174.21 1mm5 n PRO 96 N 1.29 -0.60 -0.08 3.89 -0.04 -1.26 -5.03 135.00 133.18 1mm5 n PRO 96 Ca -0.19 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 1mm5 n PRO 96 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1mm5 n PRO 96 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1mm5 n LEU 97 N 0.00 1.22 -0.03 1.53 -0.00 -1.26 -4.67 117.00 113.80 1mm5 n LEU 97 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 56.01 55.85 1mm5 n LEU 97 Cb 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 43.42 43.27 1mm5 n LEU 97 CO 0.00 0.54 0.41 0.00 -0.00 0.00 0.00 177.39 178.34 1mm5 h ALA 98 N 0.42 -0.05 -1.99 1.47 0.00 -2.02 -3.46 119.26 113.61 1mm5 h ALA 98 Ca -0.40 -0.33 -0.46 0.00 0.00 0.00 0.00 54.91 53.72 1mm5 h ALA 98 Cb 1.78 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1mm5 h ALA 98 CO -0.01 -0.13 -0.40 -0.51 0.00 0.00 0.00 179.25 178.20 1mm5 s ASP 99 N -5.86 6.05 0.00 0.00 1.11 -1.26 -5.04 116.67 111.66 1mm5 s ASP 99 Ca -0.15 -0.10 0.00 0.00 0.18 0.00 0.00 52.55 52.48 1mm5 s ASP 99 Cb -0.01 -1.49 0.00 0.00 1.07 0.00 0.00 42.92 42.49 1mm5 s ASP 99 CO 0.57 -0.25 0.00 -1.84 1.18 0.00 0.00 175.17 174.84 1mm5 n GLU 100 N -1.49 0.63 -0.11 8.23 0.00 -1.26 -4.13 120.64 122.50 1mm5 n GLU 100 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.02 1mm5 n GLU 100 Cb 0.58 -0.92 -0.02 0.00 0.00 0.00 0.00 31.44 31.09 1mm5 n GLU 100 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1mm5 h ASN 101 N 0.00 0.44 -2.33 -1.84 4.21 -1.97 -3.42 115.58 110.68 1mm5 h ASN 101 Ca 0.00 -0.12 -0.54 0.00 1.21 0.00 0.00 56.30 56.85 1mm5 h ASN 101 Cb 0.83 -0.11 0.02 0.00 -1.12 0.00 0.00 38.32 37.94 1mm5 h ASN 101 CO 0.00 0.44 1.22 0.49 -1.29 0.00 0.00 177.43 178.29 1mm5 n PHE 102 N -4.75 2.50 -4.48 1.19 3.01 -1.26 -3.65 117.46 110.03 1mm5 n PHE 102 Ca -0.01 -0.33 -0.23 0.00 1.01 0.00 0.00 57.45 57.89 1mm5 n PHE 102 Cb 0.10 -2.79 -0.16 0.00 -0.01 0.00 0.00 39.48 36.62 1mm5 n PHE 102 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1mm5 s HIS 103 N 4.33 1.23 -0.02 1.38 2.46 -1.07 -4.40 115.29 119.21 1mm5 s HIS 103 Ca 0.89 -0.41 0.04 0.00 0.47 0.00 0.00 55.06 56.05 1mm5 s HIS 103 Cb -0.47 -0.92 -0.01 0.00 -0.13 0.00 0.00 32.58 31.05 1mm5 s HIS 103 CO 0.43 -0.23 -0.14 -0.48 -2.47 0.00 0.00 174.74 171.85 1mm5 s LEU 104 N 0.62 1.98 0.12 8.88 2.34 -0.93 -1.97 118.68 129.71 1mm5 s LEU 104 Ca -0.12 -0.27 -0.10 0.00 0.06 0.00 0.00 54.13 53.70 1mm5 s LEU 104 Cb -0.14 -0.77 0.00 0.00 -0.56 0.00 0.00 46.19 44.72 1mm5 s LEU 104 CO 0.02 0.16 0.27 -0.83 -1.06 0.00 0.00 176.35 174.91 1mm5 s GLY 105 N -0.21 0.11 0.02 -3.48 0.00 0.30 -1.31 107.32 102.74 1mm5 s GLY 105 Ca 0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 1mm5 s GLY 105 CO -0.00 -0.70 0.07 1.08 0.00 0.00 0.00 173.10 173.55 1mm5 s LEU 106 N -2.88 1.86 0.00 0.66 1.02 -1.07 -2.06 118.68 116.22 1mm5 s LEU 106 Ca 0.08 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1mm5 s LEU 106 Cb 0.04 0.45 0.00 0.00 0.02 0.00 0.00 46.19 46.70 1mm5 s LEU 106 CO -0.08 -0.38 0.00 0.61 0.02 0.00 0.00 176.35 176.52 1mm5 n GLY 107 N 1.33 -0.68 3.23 -3.19 0.00 -0.98 -0.87 105.19 104.03 1mm5 n GLY 107 Ca -0.22 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 1mm5 n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mm5 s PHE 108 N -3.00 1.86 -0.22 1.61 2.19 -0.99 -2.59 117.98 116.83 1mm5 s PHE 108 Ca 0.00 -0.36 -0.05 0.00 0.33 0.00 0.00 56.93 56.85 1mm5 s PHE 108 Cb 0.00 -1.17 -0.02 0.00 -1.31 0.00 0.00 43.02 40.52 1mm5 s PHE 108 CO 0.00 -0.00 -0.01 0.95 1.83 0.00 0.00 175.22 177.99 1mm5 s THR 109 N -0.56 3.69 -0.05 0.12 -4.23 -0.61 -1.30 115.64 112.70 1mm5 s THR 109 Ca 0.08 -0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1mm5 s THR 109 Cb -0.08 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1mm5 s THR 109 CO -0.00 0.40 0.09 0.00 -0.54 0.00 0.00 174.62 174.57 1mm5 s ALA 110 N 1.42 -0.04 0.00 3.99 0.00 0.45 -1.55 121.76 126.04 1mm5 s ALA 110 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1mm5 s ALA 110 Cb -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1mm5 s ALA 110 CO -0.01 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1mm5 n GLY 111 N 4.49 3.40 3.06 0.00 0.00 -1.05 -2.27 105.19 112.82 1mm5 n GLY 111 Ca -0.21 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1mm5 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mm5 s VAL 112 N -0.79 0.59 -0.08 1.61 -7.23 -0.83 -2.03 120.40 111.64 1mm5 s VAL 112 Ca 0.00 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 1mm5 s VAL 112 Cb 0.00 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 1mm5 s VAL 112 CO 0.00 -0.27 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.51 1mm5 s THR 113 N -1.15 3.25 1.03 5.32 2.01 -1.06 -2.60 115.64 122.43 1mm5 s THR 113 Ca -0.07 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 1mm5 s THR 113 Cb -0.09 -2.31 0.23 0.00 0.01 0.00 0.00 72.50 70.35 1mm5 s THR 113 CO 0.00 0.57 1.31 0.00 -0.69 0.00 0.00 174.62 175.82 1mm5 s ALA 114 N -0.47 1.90 0.28 7.40 0.00 -0.99 -2.40 121.76 127.49 1mm5 s ALA 114 Ca 0.06 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 1mm5 s ALA 114 Cb -0.12 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1mm5 s ALA 114 CO 0.02 -2.75 0.67 -0.98 0.00 0.00 0.00 175.76 172.72 1mm5 s ARG 115 N -5.87 1.79 -0.23 0.00 3.03 -1.26 -4.85 118.95 111.56 1mm5 s ARG 115 Ca 0.75 -1.11 0.23 0.00 2.03 0.00 0.00 55.73 57.64 1mm5 s ARG 115 Cb -0.04 0.58 0.50 0.00 -1.03 0.00 0.00 34.95 34.96 1mm5 s ARG 115 CO 0.54 -0.80 1.12 -3.47 -1.13 0.00 0.00 175.30 171.55 1mm5 n ASP 116 N -0.56 1.50 0.00 -2.89 2.03 -1.26 -4.84 116.55 110.54 1mm5 n ASP 116 Ca -0.04 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.25 1mm5 n ASP 116 Cb 0.60 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1mm5 n ASP 116 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1mm5 n ASN 117 N -0.49 0.33 0.00 1.67 3.02 -1.26 -4.99 115.26 113.54 1mm5 n ASN 117 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1mm5 n ASN 117 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1mm5 n ASN 117 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1mm5 n TRP 118 N -2.58 0.00 0.01 3.10 7.02 -1.26 -5.07 117.44 118.66 1mm5 n TRP 118 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1mm5 n TRP 118 Cb 0.22 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 1mm5 n TRP 118 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1mm5 n ASN 119 N -1.01 -0.20 -1.13 -0.99 5.15 -1.26 -5.00 115.26 110.82 1mm5 n ASN 119 Ca 0.00 0.19 -0.07 0.00 -0.60 0.00 0.00 54.58 54.10 1mm5 n ASN 119 Cb 0.00 0.37 -0.05 0.00 -0.53 0.00 0.00 39.78 39.57 1mm5 n ASN 119 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mm5 n TYR 120 N -2.11 -0.16 -2.45 1.20 9.36 -1.26 -4.91 117.16 116.83 1mm5 n TYR 120 Ca 0.00 -0.59 -0.43 0.00 3.32 0.00 0.00 57.90 60.20 1mm5 n TYR 120 Cb 0.00 0.58 -0.02 0.00 -0.63 0.00 0.00 39.34 39.26 1mm5 n TYR 120 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1mm5 s ILE 121 N 0.01 4.15 0.50 2.97 1.01 -1.26 -5.00 121.20 123.57 1mm5 s ILE 121 Ca 0.01 1.28 -0.22 0.00 0.00 0.00 0.00 60.65 61.72 1mm5 s ILE 121 Cb 0.04 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1mm5 s ILE 121 CO -0.01 -0.55 1.21 -2.16 0.00 0.00 0.00 174.94 173.43 1mm5 s PRO 122 N 4.24 3.49 -0.60 2.79 0.04 -1.26 -4.72 135.00 138.97 1mm5 s PRO 122 Ca 0.55 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 1mm5 s PRO 122 Cb -0.15 -2.28 0.15 0.00 0.04 0.00 0.00 34.50 32.27 1mm5 s PRO 122 CO 0.24 -0.80 0.41 -0.51 0.04 0.00 0.00 177.00 176.38 1mm5 s LEU 123 N -3.34 5.24 0.18 -3.56 1.43 -1.01 -4.87 118.68 112.76 1mm5 s LEU 123 Ca 0.68 -2.75 -0.33 0.00 -1.03 0.00 0.00 54.13 50.70 1mm5 s LEU 123 Cb -0.31 -1.85 -0.15 0.00 0.03 0.00 0.00 46.19 43.91 1mm5 s LEU 123 CO 0.37 -0.39 1.32 -2.65 0.23 0.00 0.00 176.35 175.22 1mm5 n PRO 124 N 3.62 1.56 -4.02 1.29 -0.02 -1.26 -2.56 135.00 133.63 1mm5 n PRO 124 Ca 0.07 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1mm5 n PRO 124 Cb 0.38 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 1mm5 n PRO 124 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1mm5 s VAL 125 N 0.07 0.20 -0.30 -1.45 -7.23 -0.86 -4.97 120.40 105.87 1mm5 s VAL 125 Ca 0.74 -1.12 -0.05 0.00 -1.81 0.00 0.00 61.98 59.74 1mm5 s VAL 125 Cb -0.78 -0.57 0.16 0.00 0.56 0.00 0.00 36.38 35.76 1mm5 s VAL 125 CO 0.49 -0.58 0.62 -1.48 -0.31 0.00 0.00 175.10 173.83 1mm5 s LEU 126 N -1.78 -1.28 -0.01 1.32 2.34 -1.26 -2.52 118.68 115.50 1mm5 s LEU 126 Ca -0.10 1.17 -0.15 0.00 0.06 0.00 0.00 54.13 55.10 1mm5 s LEU 126 Cb -0.06 2.22 0.02 0.00 -0.56 0.00 0.00 46.19 47.81 1mm5 s LEU 126 CO -0.02 -0.24 0.33 -1.48 -1.06 0.00 0.00 176.35 173.87 1mm5 s LEU 127 N 2.87 0.79 0.30 1.48 2.34 -0.59 -5.01 118.68 120.86 1mm5 s LEU 127 Ca 0.09 0.10 -0.29 0.00 0.06 0.00 0.00 54.13 54.10 1mm5 s LEU 127 Cb -0.14 1.32 -0.10 0.00 -0.56 0.00 0.00 46.19 46.72 1mm5 s LEU 127 CO -0.20 -0.46 1.27 -2.84 -1.06 0.00 0.00 176.35 173.06 1mm5 s PRO 128 N -1.36 4.42 -0.13 1.48 0.02 -1.26 -1.58 135.00 136.60 1mm5 s PRO 128 Ca -0.13 2.11 -0.13 0.00 0.02 0.00 0.00 61.00 62.87 1mm5 s PRO 128 Cb -0.05 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.39 1mm5 s PRO 128 CO 0.04 -0.12 0.36 -1.17 -0.33 0.00 0.00 177.00 175.79 1mm5 s LEU 129 N -1.47 0.62 -0.01 -5.54 0.20 -1.07 -2.60 118.68 108.81 1mm5 s LEU 129 Ca 0.49 0.68 0.02 0.00 0.69 0.00 0.00 54.13 56.01 1mm5 s LEU 129 Cb -0.38 1.26 0.00 0.00 -0.43 0.00 0.00 46.19 46.64 1mm5 s LEU 129 CO 0.48 -0.15 -0.06 0.00 -0.29 0.00 0.00 176.35 176.33 1mm5 s ALA 130 N 0.07 0.53 -0.23 5.97 0.00 -0.87 -2.31 121.76 124.91 1mm5 s ALA 130 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 1mm5 s ALA 130 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1mm5 s ALA 130 CO 0.01 0.09 0.00 -1.54 0.00 0.00 0.00 175.76 174.32 1mm5 s SER 131 N 0.11 4.68 -0.08 0.00 1.04 -0.87 -2.58 113.70 115.99 1mm5 s SER 131 Ca -0.01 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.08 1mm5 s SER 131 Cb -0.05 -1.82 0.04 0.00 0.10 0.00 0.00 66.02 64.29 1mm5 s SER 131 CO -0.00 -0.01 0.19 0.54 0.98 0.00 0.00 173.24 174.94 1mm5 s VAL 132 N 1.45 -0.04 0.00 5.02 0.11 -0.14 -0.54 120.40 126.27 1mm5 s VAL 132 Ca 0.05 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1mm5 s VAL 132 Cb -0.15 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1mm5 s VAL 132 CO 0.00 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1mm5 n GLY 133 N 4.01 1.68 3.57 6.54 0.00 -0.83 -1.43 105.19 118.72 1mm5 n GLY 133 Ca -0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1mm5 n GLY 133 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mm5 s TYR 134 N 0.40 -1.01 0.00 1.61 1.13 0.49 -2.59 117.35 117.38 1mm5 s TYR 134 Ca 0.00 1.80 0.00 0.00 -1.41 0.00 0.00 57.07 57.46 1mm5 s TYR 134 Cb 0.00 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.46 1mm5 s TYR 134 CO 0.00 -0.50 0.00 0.41 -2.51 0.00 0.00 175.55 172.95 1mm5 n GLY 135 N 4.93 2.03 0.00 5.49 0.00 -1.24 -2.59 105.19 113.81 1mm5 n GLY 135 Ca -0.13 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.61 1mm5 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mm5 n PRO 136 N 13.05 0.98 -3.74 1.61 -0.04 -1.26 -4.66 135.00 140.94 1mm5 n PRO 136 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1mm5 n PRO 136 Cb 0.00 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 1mm5 n PRO 136 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mm5 s VAL 137 N -2.00 3.83 -0.25 0.52 1.01 -1.07 -3.06 120.40 119.39 1mm5 s VAL 137 Ca 0.34 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1mm5 s VAL 137 Cb 0.16 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1mm5 s VAL 137 CO 0.26 -0.19 -0.05 0.42 0.00 0.00 0.00 175.10 175.54 1mm5 s THR 138 N 1.41 1.61 -0.13 3.92 -4.23 -1.07 -0.38 115.64 116.77 1mm5 s THR 138 Ca -0.01 -1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 58.91 1mm5 s THR 138 Cb -0.20 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 1mm5 s THR 138 CO 0.03 -0.15 0.79 -0.36 -0.54 0.00 0.00 174.62 174.39 1mm5 s PHE 139 N 1.34 3.48 -0.22 3.99 0.40 -0.52 -2.36 117.98 124.10 1mm5 s PHE 139 Ca -0.04 1.27 0.02 0.00 -0.60 0.00 0.00 56.93 57.57 1mm5 s PHE 139 Cb -0.19 -2.95 0.04 0.00 0.51 0.00 0.00 43.02 40.43 1mm5 s PHE 139 CO -0.07 -0.12 -0.13 -0.65 0.70 0.00 0.00 175.22 174.94 1mm5 s GLN 140 N 1.66 2.38 0.14 0.44 -0.21 -0.66 -0.96 119.66 122.45 1mm5 s GLN 140 Ca 0.39 -1.07 0.10 0.00 0.02 0.00 0.00 55.36 54.79 1mm5 s GLN 140 Cb -0.17 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1mm5 s GLN 140 CO 0.15 -0.44 -0.19 -1.64 -2.12 0.00 0.00 175.29 171.05 1mm5 s MET 141 N 1.23 1.71 0.00 2.91 -1.94 -1.07 -1.40 119.30 120.76 1mm5 s MET 141 Ca -0.03 -1.28 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 1mm5 s MET 141 Cb -0.17 -2.04 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 1mm5 s MET 141 CO -0.08 0.45 -0.14 -0.08 -0.01 0.00 0.00 175.02 175.16 1mm5 s THR 142 N -1.31 1.10 -0.30 2.05 -1.32 -0.73 -2.06 115.64 113.07 1mm5 s THR 142 Ca 0.19 -0.71 -0.00 0.00 -1.21 0.00 0.00 61.69 59.96 1mm5 s THR 142 Cb -0.10 -0.94 0.06 0.00 -1.51 0.00 0.00 72.50 70.01 1mm5 s THR 142 CO 0.10 0.23 -0.00 -0.31 -2.21 0.00 0.00 174.62 172.42 1mm5 s TYR 143 N -0.47 3.33 -0.06 9.09 1.51 -1.07 -2.59 117.35 127.09 1mm5 s TYR 143 Ca 0.04 -2.10 -0.17 0.00 -1.01 0.00 0.00 57.07 53.84 1mm5 s TYR 143 Cb -0.06 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.52 1mm5 s TYR 143 CO -0.00 -0.85 0.45 -1.50 -1.11 0.00 0.00 175.55 172.55 1mm5 s ILE 144 N 1.19 5.10 0.93 2.71 1.10 -1.07 -4.20 121.20 126.95 1mm5 s ILE 144 Ca -0.04 0.92 -0.12 0.00 -0.51 0.00 0.00 60.65 60.90 1mm5 s ILE 144 Cb -0.20 -3.78 0.15 0.00 0.15 0.00 0.00 42.46 38.78 1mm5 s ILE 144 CO -0.03 0.44 1.11 -2.16 -2.11 0.00 0.00 174.94 172.18 1mm5 s PRO 145 N -0.12 1.00 0.00 3.50 0.04 -1.26 -0.40 135.00 137.77 1mm5 s PRO 145 Ca 0.25 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1mm5 s PRO 145 Cb -0.16 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1mm5 s PRO 145 CO 0.12 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1mm5 n GLY 146 N -1.54 -0.53 3.17 0.56 0.00 -1.26 -4.47 105.19 101.12 1mm5 n GLY 146 Ca 0.06 0.68 -0.22 0.00 0.00 0.00 0.00 46.02 46.54 1mm5 n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mm5 n THR 147 N 0.00 -2.28 -3.58 2.61 -1.04 -1.26 -4.45 114.28 104.28 1mm5 n THR 147 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1mm5 n THR 147 Cb 0.00 -3.61 -0.03 0.00 -1.82 0.00 0.00 70.33 64.87 1mm5 n THR 147 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1mm5 s TYR 148 N -3.22 -0.23 -0.08 -1.42 6.14 -1.26 -5.02 117.35 112.26 1mm5 s TYR 148 Ca 0.39 0.26 0.01 0.00 0.64 0.00 0.00 57.07 58.37 1mm5 s TYR 148 Cb -0.17 0.50 -0.25 0.00 0.42 0.00 0.00 41.96 42.46 1mm5 s TYR 148 CO 0.48 -0.28 0.52 -0.91 0.64 0.00 0.00 175.55 176.00 1mm5 h ASN 149 N 2.16 0.25 1.18 4.32 2.35 -2.01 -3.35 115.58 120.49 1mm5 h ASN 149 Ca -0.14 -0.55 -0.08 0.00 -0.55 0.00 0.00 56.30 54.98 1mm5 h ASN 149 Cb 1.18 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1mm5 h ASN 149 CO 0.27 1.49 -0.40 0.78 -1.65 0.00 0.00 177.43 177.91 1mm5 h ASN 150 N 0.04 0.00 -4.19 5.81 4.21 -1.99 -3.49 115.58 115.97 1mm5 h ASN 150 Ca -0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.15 1mm5 h ASN 150 Cb 2.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.23 1mm5 h ASN 150 CO 0.09 0.40 0.00 0.61 -1.29 0.00 0.00 177.43 177.24 1mm5 n GLY 151 N 0.70 3.31 0.78 2.83 0.00 -1.26 -4.99 105.19 106.56 1mm5 n GLY 151 Ca 0.01 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 1mm5 n GLY 151 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mm5 n ASN 152 N 0.00 0.51 -4.67 1.61 5.15 0.47 -4.67 115.26 113.66 1mm5 n ASN 152 Ca 0.00 0.07 -0.27 0.00 -0.60 0.00 0.00 54.58 53.78 1mm5 n ASN 152 Cb 0.00 -0.24 -0.08 0.00 -0.53 0.00 0.00 39.78 38.93 1mm5 n ASN 152 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mm5 s VAL 153 N -1.47 3.77 -0.02 3.44 1.01 -1.13 -4.77 120.40 121.23 1mm5 s VAL 153 Ca -0.03 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.65 1mm5 s VAL 153 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1mm5 s VAL 153 CO 0.04 -0.08 -0.19 -0.31 0.00 0.00 0.00 175.10 174.57 1mm5 s TYR 154 N -1.67 1.70 -0.02 5.22 2.02 -1.26 -2.59 117.35 120.75 1mm5 s TYR 154 Ca 0.27 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 1mm5 s TYR 154 Cb -0.10 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 1mm5 s TYR 154 CO 0.19 -0.06 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.97 1mm5 s PHE 155 N -0.35 0.86 -0.04 2.71 0.08 -1.07 -4.02 117.98 116.16 1mm5 s PHE 155 Ca 0.05 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 56.96 1mm5 s PHE 155 Cb -0.08 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1mm5 s PHE 155 CO -0.00 -0.09 -0.25 0.00 -0.10 0.00 0.00 175.22 174.79 1mm5 s ALA 156 N 0.17 2.20 -0.01 5.36 0.00 -0.96 -1.77 121.76 126.76 1mm5 s ALA 156 Ca -0.03 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1mm5 s ALA 156 Cb -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1mm5 s ALA 156 CO 0.00 0.48 -0.02 -1.58 0.00 0.00 0.00 175.76 174.65 1mm5 s TRP 157 N -0.41 0.24 -0.14 0.00 0.51 -0.49 -2.60 118.94 116.05 1mm5 s TRP 157 Ca 0.04 -0.03 -0.11 0.00 -2.12 0.00 0.00 56.10 53.88 1mm5 s TRP 157 Cb -0.12 -0.21 -0.05 0.00 -0.81 0.00 0.00 33.47 32.28 1mm5 s TRP 157 CO 0.01 -0.04 0.22 1.41 -0.51 0.00 0.00 176.95 178.05 1mm5 s MET 158 N 0.25 3.95 -0.05 4.98 1.75 -0.94 -1.65 119.30 127.59 1mm5 s MET 158 Ca -0.02 -0.01 0.05 0.00 -1.25 0.00 0.00 55.69 54.46 1mm5 s MET 158 Cb -0.05 -3.33 -0.00 0.00 2.84 0.00 0.00 34.83 34.29 1mm5 s MET 158 CO -0.01 0.47 -0.19 0.50 -0.65 0.00 0.00 175.02 175.15 1mm5 s ARG 159 N -0.21 1.95 0.04 4.11 3.52 -0.99 -2.48 118.95 124.89 1mm5 s ARG 159 Ca 0.15 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1mm5 s ARG 159 Cb -0.13 -1.68 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 1mm5 s ARG 159 CO 0.04 0.26 0.00 0.12 -0.81 0.00 0.00 175.30 174.91 1mm5 s PHE 160 N 0.02 3.04 -0.32 5.12 2.19 -1.07 -2.59 117.98 124.36 1mm5 s PHE 160 Ca -0.04 0.03 -0.12 0.00 0.33 0.00 0.00 56.93 57.13 1mm5 s PHE 160 Cb -0.12 -1.61 -0.02 0.00 -1.31 0.00 0.00 43.02 39.95 1mm5 s PHE 160 CO 0.03 0.47 0.21 -0.65 1.83 0.00 0.00 175.22 177.11 1mm5 s GLN 161 N -1.89 3.58 -0.16 10.12 -0.21 -1.17 -1.12 119.66 128.81 1mm5 s GLN 161 Ca 0.22 -0.58 -0.04 0.00 0.02 0.00 0.00 55.36 54.98 1mm5 s GLN 161 Cb -0.12 -3.73 -0.03 0.00 1.00 0.00 0.00 33.01 30.13 1mm5 s GLN 161 CO 0.14 -0.38 -0.01 0.12 -2.12 0.00 0.00 175.29 173.04 1mm5 s PHE 162 N 1.71 3.08 0.20 0.91 5.36 -0.87 -4.92 117.98 123.45 1mm5 s PHE 162 Ca 0.06 -0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 55.74 1mm5 s PHE 162 Cb -0.17 -1.98 -0.07 0.00 -0.34 0.00 0.00 43.02 40.46 1mm5 s PHE 162 CO 0.10 0.04 0.54 -1.17 -1.46 0.00 0.00 175.22 173.26 1mm5 s LEU 163 N 0.30 4.22 -0.44 6.12 0.20 -1.26 -2.36 118.68 125.46 1mm5 s LEU 163 Ca -0.02 0.95 0.02 0.00 0.69 0.00 0.00 54.13 55.77 1mm5 s LEU 163 Cb -0.14 -3.53 0.15 0.00 -0.43 0.00 0.00 46.19 42.25 1mm5 s LEU 163 CO 0.02 -0.01 0.29 -0.70 -0.29 0.00 0.00 176.35 175.66 1mm5 s GLU 164 N -2.54 1.12 -0.30 1.98 2.12 -1.26 -4.92 118.70 114.91 1mm5 s GLU 164 Ca 0.44 -2.02 -0.16 0.00 0.36 0.00 0.00 54.97 53.59 1mm5 s GLU 164 Cb -0.12 -1.93 0.18 0.00 0.26 0.00 0.00 34.13 32.52 1mm5 s GLU 164 CO 0.21 -1.25 1.14 -1.58 -0.54 0.00 0.00 175.26 173.23 1mm5 s HIS 165 N 0.24 -0.31 0.33 5.30 2.46 -1.26 -4.97 115.29 117.08 1mm5 s HIS 165 Ca 0.23 0.60 -0.28 0.00 0.47 0.00 0.00 55.06 56.08 1mm5 s HIS 165 Cb -0.13 0.19 -0.10 0.00 -0.13 0.00 0.00 32.58 32.41 1mm5 s HIS 165 CO -0.07 -0.15 1.20 -1.58 -2.47 0.00 0.00 174.74 171.67 1mm5 s HIS 166 N 1.44 3.23 -0.19 3.88 2.46 -1.26 -5.01 115.29 119.85 1mm5 s HIS 166 Ca -0.07 1.55 -0.16 0.00 0.47 0.00 0.00 55.06 56.85 1mm5 s HIS 166 Cb -0.03 -3.48 -0.04 0.00 -0.13 0.00 0.00 32.58 28.90 1mm5 s HIS 166 CO -0.13 -1.28 0.40 -1.01 -2.47 0.00 0.00 174.74 170.25 1mm5 s HIS 167 N -1.21 3.40 0.04 3.88 3.76 -1.26 -4.78 115.29 119.11 1mm5 s HIS 167 Ca 0.49 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1mm5 s HIS 167 Cb -0.35 -2.51 0.00 0.00 1.11 0.00 0.00 32.58 30.83 1mm5 s HIS 167 CO 0.45 0.04 0.00 1.58 -0.85 0.00 0.00 174.74 175.96 1mm5 n HIS 168 N 4.27 -4.81 -0.12 1.40 -0.00 -1.26 -5.01 115.22 109.69 1mm5 n HIS 168 Ca -0.08 2.87 -0.25 0.00 -0.00 0.00 0.00 57.72 60.26 1mm5 n HIS 168 Cb 0.51 -3.82 -0.09 0.00 -0.00 0.00 0.00 29.99 26.59 1mm5 n HIS 168 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1mm5 n HIS 169 N 1.83 0.00 -1.44 1.57 -0.00 -1.26 -5.29 115.22 110.62 1mm5 n HIS 169 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1mm5 n HIS 169 Cb 0.00 -0.88 0.00 0.00 -0.12 0.00 0.00 29.99 28.99 1mm5 n HIS 169 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38