#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 3.78 0.02 6.12 4.13 -1.26 -4.69 115.26 123.36 1mm5 n ASN 2 Ca 0.00 -2.80 -0.08 0.00 1.68 0.00 0.00 54.58 53.38 1mm5 n ASN 2 Cb 0.00 -1.61 -0.06 0.00 -1.54 0.00 0.00 39.78 36.57 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 7.90 -0.16 0.00 5.41 0.00 -2.06 -2.78 119.26 127.57 1mm5 h ALA 3 Ca 0.41 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1mm5 h ALA 3 Cb 0.81 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1mm5 h ALA 3 CO 1.57 -0.19 -0.72 0.22 0.00 0.00 0.00 179.25 180.13 1mm5 h ASP 4 N -0.97 0.00 0.20 0.00 -0.00 -2.02 -3.14 116.42 110.49 1mm5 h ASP 4 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.93 1mm5 h ASP 4 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.75 1mm5 h ASP 4 CO 0.03 0.72 -0.31 -0.33 -0.00 0.00 0.00 179.24 179.34 1mm5 h GLU 5 N 0.00 0.18 -0.06 0.28 4.39 -1.92 -2.64 114.58 114.82 1mm5 h GLU 5 Ca -0.01 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 1mm5 h GLU 5 Cb 1.36 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 1mm5 h GLU 5 CO 0.09 0.49 -0.48 -1.49 -1.16 0.00 0.00 179.01 176.46 1mm5 h TRP 6 N 0.16 0.19 -0.27 4.33 -0.00 -1.44 -2.89 115.95 116.03 1mm5 h TRP 6 Ca 0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 1mm5 h TRP 6 Cb 0.64 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.75 1mm5 h TRP 6 CO 0.01 0.62 0.07 0.52 -0.00 0.00 0.00 178.44 179.66 1mm5 h MET 7 N 0.13 0.42 -0.13 0.49 2.86 -1.51 -1.37 114.93 115.83 1mm5 h MET 7 Ca 0.01 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1mm5 h MET 7 Cb 0.90 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1mm5 h MET 7 CO 0.07 0.50 0.08 1.79 1.06 0.00 0.00 176.91 180.41 1mm5 h THR 8 N 0.26 1.05 -0.51 2.22 1.35 -1.48 -2.43 112.91 113.37 1mm5 h THR 8 Ca 0.08 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1mm5 h THR 8 Cb 0.27 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 1mm5 h THR 8 CO -0.00 0.05 0.32 0.71 -0.25 0.00 0.00 175.52 176.35 1mm5 h THR 9 N 0.15 1.14 -0.14 6.82 1.35 -1.46 -1.45 112.91 119.32 1mm5 h THR 9 Ca 0.05 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1mm5 h THR 9 Cb 0.01 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 1mm5 h THR 9 CO -0.01 0.14 0.00 -0.26 -0.25 0.00 0.00 175.52 175.14 1mm5 h PHE 10 N 0.70 0.19 -0.71 4.73 0.04 -0.76 -2.20 116.94 118.92 1mm5 h PHE 10 Ca 0.19 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 1mm5 h PHE 10 Cb -0.06 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 1mm5 h PHE 10 CO 0.00 0.20 0.26 -0.09 -0.60 0.00 0.00 178.31 178.09 1mm5 h ARG 11 N 0.19 1.08 -0.20 1.51 2.43 -0.99 -2.07 114.38 116.33 1mm5 h ARG 11 Ca 0.05 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 1mm5 h ARG 11 Cb 0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1mm5 h ARG 11 CO 0.00 0.90 -0.38 0.93 -1.51 0.00 0.00 179.97 179.91 1mm5 h GLU 12 N 1.03 0.45 -0.06 0.20 4.39 -1.42 -1.16 114.58 118.01 1mm5 h GLU 12 Ca 0.24 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1mm5 h GLU 12 Cb 0.24 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1mm5 h GLU 12 CO -0.02 0.76 0.02 -0.91 -1.16 0.00 0.00 179.01 177.71 1mm5 h ASN 13 N 0.37 0.09 0.37 1.42 4.21 -1.11 0.85 115.58 121.79 1mm5 h ASN 13 Ca 0.04 -0.21 -0.11 0.00 1.21 0.00 0.00 56.30 57.23 1mm5 h ASN 13 Cb 0.84 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 1mm5 h ASN 13 CO 0.07 0.28 -0.46 -0.29 -1.29 0.00 0.00 177.43 175.74 1mm5 h ILE 14 N -0.10 1.33 -0.06 2.81 6.09 -1.36 -1.81 117.51 124.41 1mm5 h ILE 14 Ca 0.02 -1.61 -0.18 0.00 -1.37 0.00 0.00 64.86 61.72 1mm5 h ILE 14 Cb 0.22 1.81 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 1mm5 h ILE 14 CO -0.00 0.47 -0.73 0.00 -3.07 0.00 0.00 178.15 174.82 1mm5 h ALA 15 N 1.44 0.64 -0.05 0.18 0.00 -1.03 -2.19 119.26 118.25 1mm5 h ALA 15 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 1mm5 h ALA 15 Cb 0.85 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1mm5 h ALA 15 CO 0.07 0.78 -0.52 0.37 0.00 0.00 0.00 179.25 179.95 1mm5 h GLN 16 N 0.23 0.45 -0.27 0.00 5.75 -0.66 -2.56 115.11 118.03 1mm5 h GLN 16 Ca -0.03 -0.41 -0.06 0.00 -0.15 0.00 0.00 58.65 58.00 1mm5 h GLN 16 Cb 1.29 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 1mm5 h GLN 16 CO 0.12 1.05 -0.11 0.00 -2.65 0.00 0.00 178.83 177.24 1mm5 h THR 17 N -0.02 1.22 0.36 2.39 1.03 -1.38 0.80 112.91 117.31 1mm5 h THR 17 Ca -0.05 -0.95 -0.02 0.00 -0.01 0.00 0.00 66.41 65.38 1mm5 h THR 17 Cb 1.19 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 1mm5 h THR 17 CO 0.10 0.31 -0.17 -0.25 -0.01 0.00 0.00 175.52 175.50 1mm5 h TRP 18 N 0.42 -0.45 0.89 0.00 7.01 -1.42 -3.37 115.95 119.02 1mm5 h TRP 18 Ca 0.08 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1mm5 h TRP 18 Cb 0.45 0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1mm5 h TRP 18 CO 0.01 -0.28 -0.43 1.96 -2.79 0.00 0.00 178.44 176.92 1mm5 h GLN 19 N -0.76 -1.15 -6.75 2.65 4.20 -1.49 -3.43 115.11 108.38 1mm5 h GLN 19 Ca -0.05 0.08 -0.49 0.00 0.06 0.00 0.00 58.65 58.24 1mm5 h GLN 19 Cb 0.37 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1mm5 h GLN 19 CO 0.08 -0.76 0.10 -0.65 -0.67 0.00 0.00 178.83 176.93 1mm5 s GLN 20 N -5.57 3.95 0.00 1.46 -0.21 0.27 -5.03 119.66 114.53 1mm5 s GLN 20 Ca -0.17 0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.83 1mm5 s GLN 20 Cb 0.02 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.60 1mm5 s GLN 20 CO 0.52 0.12 0.98 -0.35 -2.12 0.00 0.00 175.29 174.43 1mm5 n PRO 21 N -0.56 0.00 0.00 2.91 -0.04 -1.26 -4.17 135.00 131.88 1mm5 n PRO 21 Ca 0.03 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1mm5 n PRO 21 Cb 0.53 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1mm5 n PRO 21 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mm5 n GLU 22 N -1.99 0.00 -4.14 0.54 1.02 -1.26 -4.82 120.64 109.99 1mm5 n GLU 22 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1mm5 n GLU 22 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1mm5 n GLU 22 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1mm5 s HIS 23 N -0.51 1.01 -0.26 -0.32 3.76 -1.26 -4.85 115.29 112.85 1mm5 s HIS 23 Ca 0.00 -1.23 -0.09 0.00 -0.15 0.00 0.00 55.06 53.59 1mm5 s HIS 23 Cb 0.00 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 1mm5 s HIS 23 CO 0.00 -0.86 0.14 0.71 -0.85 0.00 0.00 174.74 173.88 1mm5 s TYR 24 N -3.82 3.17 -0.09 1.40 1.51 -1.00 -4.52 117.35 114.01 1mm5 s TYR 24 Ca 0.33 -0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 56.28 1mm5 s TYR 24 Cb 0.03 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1mm5 s TYR 24 CO 0.15 -0.21 0.05 -0.51 -1.11 0.00 0.00 175.55 173.92 1mm5 s ASP 25 N 1.63 5.66 -0.16 2.29 1.01 -0.84 -1.72 116.67 124.55 1mm5 s ASP 25 Ca 0.07 0.26 -0.03 0.00 0.71 0.00 0.00 52.55 53.55 1mm5 s ASP 25 Cb -0.15 -1.69 0.05 0.00 1.01 0.00 0.00 42.92 42.14 1mm5 s ASP 25 CO 0.08 0.38 0.04 -0.76 0.21 0.00 0.00 175.17 175.12 1mm5 s LEU 26 N -0.99 0.89 -0.14 1.23 1.43 -0.91 -2.59 118.68 117.60 1mm5 s LEU 26 Ca 0.14 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 1mm5 s LEU 26 Cb -0.12 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1mm5 s LEU 26 CO 0.04 -0.29 0.71 -0.31 0.23 0.00 0.00 176.35 176.72 1mm5 s TYR 27 N 1.94 3.46 -0.01 0.29 1.51 -0.44 -2.25 117.35 121.84 1mm5 s TYR 27 Ca 0.01 1.13 0.01 0.00 -1.01 0.00 0.00 57.07 57.20 1mm5 s TYR 27 Cb -0.16 -2.85 0.01 0.00 -0.11 0.00 0.00 41.96 38.85 1mm5 s TYR 27 CO -0.07 -0.09 -0.01 0.42 -1.11 0.00 0.00 175.55 174.68 1mm5 s ILE 28 N 1.56 0.16 -0.42 2.71 1.01 -0.65 -2.20 121.20 123.38 1mm5 s ILE 28 Ca 0.34 -0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 1mm5 s ILE 28 Cb -0.17 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1mm5 s ILE 28 CO 0.13 0.08 1.80 -2.16 0.00 0.00 0.00 174.94 174.80 1mm5 s PRO 29 N 0.39 3.13 -0.00 2.79 0.04 -1.26 -1.43 135.00 138.65 1mm5 s PRO 29 Ca -0.04 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.18 1mm5 s PRO 29 Cb -0.06 -4.25 -0.00 0.00 0.04 0.00 0.00 34.50 30.23 1mm5 s PRO 29 CO -0.01 -2.11 -0.00 0.00 0.04 0.00 0.00 177.00 174.92 1mm5 h ALA 30 N 13.46 0.00 -2.93 8.56 0.00 -1.88 -3.46 119.26 133.01 1mm5 h ALA 30 Ca -0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1mm5 h ALA 30 Cb 1.17 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1mm5 h ALA 30 CO 1.09 0.00 0.12 0.96 0.00 0.00 0.00 179.25 181.42 1mm5 s ILE 31 N -1.02 0.01 0.27 0.00 -4.36 -1.19 -5.02 121.20 109.90 1mm5 s ILE 31 Ca -0.00 -0.65 0.03 0.00 -0.26 0.00 0.00 60.65 59.77 1mm5 s ILE 31 Cb 0.00 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 1mm5 s ILE 31 CO 0.00 -0.06 0.19 0.42 0.24 0.00 0.00 174.94 175.73 1mm5 s THR 32 N -3.86 0.08 -0.22 8.37 -4.23 -1.26 -2.59 115.64 111.92 1mm5 s THR 32 Ca 0.08 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 1mm5 s THR 32 Cb -0.02 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1mm5 s THR 32 CO -0.03 0.00 0.35 0.86 -0.54 0.00 0.00 174.62 175.27 1mm5 s TRP 33 N -3.76 3.33 0.12 3.99 -0.00 -1.15 -4.97 118.94 116.50 1mm5 s TRP 33 Ca 0.39 0.50 0.09 0.00 -0.00 0.00 0.00 56.10 57.08 1mm5 s TRP 33 Cb 0.05 -2.50 -0.04 0.00 -0.00 0.00 0.00 33.47 30.98 1mm5 s TRP 33 CO 0.19 -0.05 -0.18 -1.58 -0.00 0.00 0.00 176.95 175.33 1mm5 s HIS 34 N 1.45 2.54 0.79 5.86 2.46 -1.26 -4.85 115.29 122.29 1mm5 s HIS 34 Ca 0.16 -0.26 -0.07 0.00 0.47 0.00 0.00 55.06 55.36 1mm5 s HIS 34 Cb -0.15 -1.35 0.13 0.00 -0.13 0.00 0.00 32.58 31.09 1mm5 s HIS 34 CO 0.08 0.39 1.11 0.00 -2.47 0.00 0.00 174.74 173.84 1mm5 s ALA 35 N -1.14 3.09 -0.17 1.58 0.00 -1.26 -5.04 121.76 118.81 1mm5 s ALA 35 Ca 0.18 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 1mm5 s ALA 35 Cb -0.11 -2.40 -0.22 0.00 0.00 0.00 0.00 23.12 20.39 1mm5 s ALA 35 CO 0.10 -1.74 0.37 0.00 0.00 0.00 0.00 175.76 174.49 1mm5 h ARG 36 N -0.91 0.07 -2.47 0.00 3.08 -2.08 -3.42 114.38 108.65 1mm5 h ARG 36 Ca -0.41 -0.11 -0.60 0.00 0.07 0.00 0.00 59.98 58.93 1mm5 h ARG 36 Cb 1.27 0.04 -0.41 0.00 0.08 0.00 0.00 29.97 30.95 1mm5 h ARG 36 CO 0.44 1.05 -0.70 1.19 -1.07 0.00 0.00 179.97 180.89 1mm5 n PHE 37 N -4.29 2.44 -3.93 3.04 3.01 -1.26 -5.09 117.46 111.38 1mm5 n PHE 37 Ca -0.28 -4.03 -0.29 0.00 1.01 0.00 0.00 57.45 53.86 1mm5 n PHE 37 Cb 0.72 -0.46 -0.04 0.00 -0.01 0.00 0.00 39.48 39.70 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 -1.69 3.99 -1.08 4.37 0.00 -1.26 -5.00 121.76 121.08 1mm5 s ALA 38 Ca 0.34 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 51.15 1mm5 s ALA 38 Cb 0.08 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 1mm5 s ALA 38 CO -0.10 0.72 1.92 -0.47 0.00 0.00 0.00 175.76 177.84 1mm5 s TYR 39 N -1.59 1.95 0.45 0.00 6.14 -1.26 -4.94 117.35 118.09 1mm5 s TYR 39 Ca 0.35 0.41 -0.18 0.00 0.64 0.00 0.00 57.07 58.28 1mm5 s TYR 39 Cb -0.12 -4.06 -0.09 0.00 0.42 0.00 0.00 41.96 38.10 1mm5 s TYR 39 CO 0.28 -1.44 0.93 0.16 0.64 0.00 0.00 175.55 176.13 1mm5 s ASP 40 N 6.92 6.79 -0.47 4.32 -4.77 -1.26 -4.97 116.67 123.23 1mm5 s ASP 40 Ca 0.68 1.58 0.03 0.00 -3.30 0.00 0.00 52.55 51.54 1mm5 s ASP 40 Cb -0.03 -2.50 0.61 0.00 -1.09 0.00 0.00 42.92 39.91 1mm5 s ASP 40 CO 0.07 -0.43 1.91 1.17 0.70 0.00 0.00 175.17 178.60 1mm5 n LYS 41 N -0.97 2.27 -0.03 2.11 4.81 -1.26 -4.52 118.16 120.57 1mm5 n LYS 41 Ca 0.06 -2.95 -0.13 0.00 -0.87 0.00 0.00 58.31 54.42 1mm5 n LYS 41 Cb 0.54 -2.16 -0.10 0.00 0.02 0.00 0.00 35.03 33.33 1mm5 n LYS 41 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1mm5 h GLU 42 N 1.13 0.05 -3.39 1.64 4.81 -1.93 -3.48 114.58 113.41 1mm5 h GLU 42 Ca 0.61 -0.04 -0.41 0.00 -0.13 0.00 0.00 59.36 59.40 1mm5 h GLU 42 Cb 2.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.88 1mm5 h GLU 42 CO 1.15 0.62 -0.55 1.63 -0.73 0.00 0.00 179.01 181.13 1mm5 n LYS 43 N -4.76 -2.60 -2.61 1.92 4.76 -1.26 -1.55 118.16 112.07 1mm5 n LYS 43 Ca -0.09 0.98 -0.18 0.00 -2.87 0.00 0.00 58.31 56.15 1mm5 n LYS 43 Cb 0.32 -5.69 -0.00 0.00 -1.84 0.00 0.00 35.03 27.81 1mm5 n LYS 43 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1mm5 n THR 44 N -4.16 -0.99 -3.36 -0.18 -2.24 -1.26 -4.92 114.28 97.16 1mm5 n THR 44 Ca -0.21 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1mm5 n THR 44 Cb 0.67 -2.46 -0.03 0.00 -2.10 0.00 0.00 70.33 66.40 1mm5 n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mm5 s ASP 45 N -2.21 -0.70 -0.02 3.42 2.15 -0.60 -5.16 116.67 113.56 1mm5 s ASP 45 Ca 0.09 0.80 -0.13 0.00 0.43 0.00 0.00 52.55 53.74 1mm5 s ASP 45 Cb -0.04 1.73 -0.05 0.00 -0.30 0.00 0.00 42.92 44.26 1mm5 s ASP 45 CO 0.11 -0.13 0.35 0.00 -0.17 0.00 0.00 175.17 175.32 1mm5 s ARG 46 N 2.62 3.80 0.00 4.34 3.03 -1.26 -4.81 118.95 126.67 1mm5 s ARG 46 Ca -0.00 0.27 0.00 0.00 2.03 0.00 0.00 55.73 58.03 1mm5 s ARG 46 Cb -0.08 -3.19 0.00 0.00 -1.03 0.00 0.00 34.95 30.65 1mm5 s ARG 46 CO -0.17 0.70 0.00 0.66 -1.13 0.00 0.00 175.30 175.36 1mm5 n TYR 47 N 1.75 -1.25 -2.63 5.89 4.01 -1.26 -5.09 117.16 118.58 1mm5 n TYR 47 Ca -0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.16 1mm5 n TYR 47 Cb 0.53 0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.79 1mm5 n TYR 47 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1mm5 s ASN 48 N -1.54 6.71 0.24 7.72 3.84 -1.26 -5.02 114.94 125.63 1mm5 s ASN 48 Ca 0.00 0.61 0.06 0.00 0.21 0.00 0.00 52.86 53.74 1mm5 s ASN 48 Cb 0.00 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.13 1mm5 s ASN 48 CO 0.00 -1.13 0.28 -1.83 -2.79 0.00 0.00 177.10 171.63 1mm5 s GLU 49 N 4.17 3.19 0.05 0.43 1.03 -1.26 -5.13 118.70 121.19 1mm5 s GLU 49 Ca 0.46 -0.90 0.05 0.00 0.03 0.00 0.00 54.97 54.62 1mm5 s GLU 49 Cb -0.09 -2.73 -0.04 0.00 -0.80 0.00 0.00 34.13 30.47 1mm5 s GLU 49 CO 0.27 0.42 -0.08 1.03 -1.33 0.00 0.00 175.26 175.57 1mm5 s ARG 50 N -3.90 2.36 1.00 -4.83 1.81 -1.26 -5.13 118.95 109.01 1mm5 s ARG 50 Ca 0.33 -0.86 -0.14 0.00 -1.72 0.00 0.00 55.73 53.34 1mm5 s ARG 50 Cb -0.08 -2.41 0.19 0.00 -0.45 0.00 0.00 34.95 32.19 1mm5 s ARG 50 CO 0.27 0.56 1.13 -1.25 -0.68 0.00 0.00 175.30 175.33 1mm5 s PRO 51 N -1.81 0.41 0.27 3.54 0.04 -1.26 -5.09 135.00 131.09 1mm5 s PRO 51 Ca 0.20 0.24 0.04 0.00 0.04 0.00 0.00 61.00 61.51 1mm5 s PRO 51 Cb -0.11 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1mm5 s PRO 51 CO 0.11 -2.68 0.01 -1.58 0.04 0.00 0.00 177.00 172.90 1mm5 s TRP 52 N -3.17 1.75 0.00 0.56 0.52 -1.26 -5.04 118.94 112.30 1mm5 s TRP 52 Ca 0.66 -0.91 0.00 0.00 0.02 0.00 0.00 56.10 55.87 1mm5 s TRP 52 Cb -0.14 -1.06 0.00 0.00 -1.15 0.00 0.00 33.47 31.12 1mm5 s TRP 52 CO 0.55 0.01 0.00 0.41 0.02 0.00 0.00 176.95 177.94 1mm5 n GLY 53 N -0.53 3.08 3.33 0.98 0.00 -1.26 -3.92 105.19 106.86 1mm5 n GLY 53 Ca -0.04 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 1mm5 n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm5 s GLY 54 N -0.53 -0.30 -0.08 -0.02 0.00 -1.07 -5.00 107.32 100.31 1mm5 s GLY 54 Ca 0.00 0.70 -0.01 0.00 0.00 0.00 0.00 44.72 45.40 1mm5 s GLY 54 CO 0.00 0.44 -0.02 -0.32 0.00 0.00 0.00 173.10 173.20 1mm5 s GLY 55 N -1.18 1.80 -0.18 0.20 0.00 -0.94 -1.91 107.32 105.11 1mm5 s GLY 55 Ca -0.12 -0.83 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1mm5 s GLY 55 CO 0.06 -0.59 0.42 -0.12 0.00 0.00 0.00 173.10 172.88 1mm5 s PHE 56 N -0.83 -0.67 0.00 1.90 2.19 0.40 -1.33 117.98 119.64 1mm5 s PHE 56 Ca 0.13 1.38 0.00 0.00 0.33 0.00 0.00 56.93 58.77 1mm5 s PHE 56 Cb -0.11 0.29 0.00 0.00 -1.31 0.00 0.00 43.02 41.89 1mm5 s PHE 56 CO 0.02 -0.38 0.00 0.41 1.83 0.00 0.00 175.22 177.10 1mm5 n GLY 57 N 4.52 2.15 3.35 13.12 0.00 -1.07 -1.58 105.19 125.68 1mm5 n GLY 57 Ca -0.20 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 1mm5 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mm5 s LEU 58 N 0.00 1.80 0.05 0.99 1.43 -1.00 -1.98 118.68 119.97 1mm5 s LEU 58 Ca 0.00 -1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 51.69 1mm5 s LEU 58 Cb 0.00 -0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.10 1mm5 s LEU 58 CO 0.00 -0.69 0.04 -0.94 0.23 0.00 0.00 176.35 174.99 1mm5 s SER 59 N -3.36 0.32 0.34 2.29 1.04 -1.26 -2.34 113.70 110.73 1mm5 s SER 59 Ca 0.37 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 56.07 1mm5 s SER 59 Cb 0.08 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1mm5 s SER 59 CO 0.14 -0.57 0.16 -0.13 0.98 0.00 0.00 173.24 173.82 1mm5 s ARG 60 N -3.33 1.71 -0.06 4.02 1.81 0.43 -4.58 118.95 118.95 1mm5 s ARG 60 Ca 0.01 -1.99 -0.05 0.00 -1.72 0.00 0.00 55.73 51.98 1mm5 s ARG 60 Cb 0.03 -0.25 0.02 0.00 -0.45 0.00 0.00 34.95 34.30 1mm5 s ARG 60 CO -0.08 -0.46 0.15 1.67 -0.68 0.00 0.00 175.30 175.90 1mm5 s TRP 61 N -3.46 -0.17 0.10 -0.53 1.48 -1.26 -2.33 118.94 112.78 1mm5 s TRP 61 Ca 0.33 0.42 -0.07 0.00 -1.06 0.00 0.00 56.10 55.72 1mm5 s TRP 61 Cb 0.04 0.03 -0.06 0.00 -1.16 0.00 0.00 33.47 32.33 1mm5 s TRP 61 CO 0.18 -0.10 0.37 -0.51 -4.06 0.00 0.00 176.95 172.83 1mm5 s ASP 62 N 0.28 6.55 0.65 -2.66 1.01 0.44 -4.92 116.67 118.01 1mm5 s ASP 62 Ca -0.02 0.66 0.34 0.00 0.71 0.00 0.00 52.55 54.24 1mm5 s ASP 62 Cb -0.03 -2.12 1.85 0.00 1.01 0.00 0.00 42.92 43.63 1mm5 s ASP 62 CO -0.01 0.12 2.08 -0.08 0.21 0.00 0.00 175.17 177.49 1mm5 h GLU 63 N 3.30 0.00 -1.21 8.23 4.81 -2.02 -1.02 114.58 126.67 1mm5 h GLU 63 Ca -0.48 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.40 1mm5 h GLU 63 Cb 1.18 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.38 1mm5 h GLU 63 CO 0.69 0.00 0.45 1.17 -0.73 0.00 0.00 179.01 180.59 1mm5 n LYS 64 N -3.15 1.86 -3.56 1.92 4.81 -1.26 -4.85 118.16 113.93 1mm5 n LYS 64 Ca -0.01 -1.84 -0.20 0.00 -0.87 0.00 0.00 58.31 55.40 1mm5 n LYS 64 Cb 0.30 -1.72 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 1.17 0.00 0.00 177.40 178.98 1mm5 n GLY 65 N -0.18 -0.44 3.39 3.14 0.00 -0.41 -5.01 105.19 105.68 1mm5 n GLY 65 Ca 0.36 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.22 3.15 -0.25 1.61 3.84 -1.08 -4.56 114.94 113.43 1mm5 s ASN 66 Ca 0.07 -0.89 0.00 0.00 0.21 0.00 0.00 52.86 52.26 1mm5 s ASN 66 Cb -0.02 -0.22 0.07 0.00 -0.55 0.00 0.00 41.25 40.54 1mm5 s ASN 66 CO 0.78 0.05 0.01 0.86 -2.79 0.00 0.00 177.10 176.00 1mm5 s TRP 67 N -1.94 2.11 -0.05 0.43 -0.11 -1.00 -0.42 118.94 117.97 1mm5 s TRP 67 Ca 0.20 -1.70 0.03 0.00 1.22 0.00 0.00 56.10 55.85 1mm5 s TRP 67 Cb -0.07 -1.63 0.00 0.00 -1.50 0.00 0.00 33.47 30.27 1mm5 s TRP 67 CO 0.09 -0.78 -0.14 -1.58 -4.62 0.00 0.00 176.95 169.92 1mm5 s HIS 68 N 1.49 1.52 0.14 5.86 2.46 -0.98 -2.53 115.29 123.24 1mm5 s HIS 68 Ca 0.00 -0.47 -0.24 0.00 0.47 0.00 0.00 55.06 54.82 1mm5 s HIS 68 Cb -0.18 -1.06 0.08 0.00 -0.13 0.00 0.00 32.58 31.29 1mm5 s HIS 68 CO -0.11 -0.20 1.08 0.20 -2.47 0.00 0.00 174.74 173.24 1mm5 s GLY 69 N 0.27 -0.00 0.25 1.59 0.00 -1.07 -0.43 107.32 107.93 1mm5 s GLY 69 Ca -0.07 -0.15 0.07 0.00 0.00 0.00 0.00 44.72 44.56 1mm5 s GLY 69 CO 0.03 2.31 -0.10 -2.27 0.00 0.00 0.00 173.10 173.07 1mm5 s LEU 70 N -3.36 2.51 -0.11 0.66 0.20 -0.99 -0.39 118.68 117.21 1mm5 s LEU 70 Ca 0.21 -1.12 -0.04 0.00 0.69 0.00 0.00 54.13 53.87 1mm5 s LEU 70 Cb -0.02 -0.67 0.05 0.00 -0.43 0.00 0.00 46.19 45.13 1mm5 s LEU 70 CO 0.03 -0.26 0.18 -0.72 -0.29 0.00 0.00 176.35 175.30 1mm5 s TYR 71 N -2.97 -0.23 -0.31 5.38 1.13 -0.94 -2.38 117.35 117.02 1mm5 s TYR 71 Ca 0.27 0.62 -0.16 0.00 -1.41 0.00 0.00 57.07 56.40 1mm5 s TYR 71 Cb 0.02 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.62 1mm5 s TYR 71 CO 0.10 -0.32 0.40 0.00 -2.51 0.00 0.00 175.55 173.21 1mm5 s ALA 72 N 2.32 3.52 -0.20 9.51 0.00 -0.62 -2.62 121.76 133.68 1mm5 s ALA 72 Ca 0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1mm5 s ALA 72 Cb -0.12 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1mm5 s ALA 72 CO -0.07 -0.90 -0.07 1.41 0.00 0.00 0.00 175.76 176.12 1mm5 s MET 73 N 2.11 3.36 -0.19 0.00 1.75 -0.21 -0.45 119.30 125.66 1mm5 s MET 73 Ca 0.15 -0.65 -0.10 0.00 -1.25 0.00 0.00 55.69 53.83 1mm5 s MET 73 Cb -0.16 -2.89 -0.05 0.00 2.84 0.00 0.00 34.83 34.57 1mm5 s MET 73 CO 0.11 -0.10 0.15 0.00 -0.65 0.00 0.00 175.02 174.53 1mm5 s ALA 74 N 1.20 3.68 -0.12 4.11 0.00 -0.81 -1.73 121.76 128.10 1mm5 s ALA 74 Ca 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1mm5 s ALA 74 Cb -0.14 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1mm5 s ALA 74 CO -0.02 0.16 -0.16 -0.06 0.00 0.00 0.00 175.76 175.68 1mm5 s PHE 75 N 0.33 2.09 0.07 0.00 0.40 -1.07 -2.60 117.98 117.20 1mm5 s PHE 75 Ca 0.09 -1.01 -0.27 0.00 -0.60 0.00 0.00 56.93 55.14 1mm5 s PHE 75 Cb -0.11 -1.49 -0.06 0.00 0.51 0.00 0.00 43.02 41.87 1mm5 s PHE 75 CO -0.01 -0.51 0.84 0.15 0.70 0.00 0.00 175.22 176.38 1mm5 s LYS 76 N 1.01 4.57 0.38 0.44 1.02 -1.25 -0.91 119.74 125.01 1mm5 s LYS 76 Ca -0.06 1.21 0.04 0.00 0.02 0.00 0.00 55.97 57.19 1mm5 s LYS 76 Cb -0.15 -3.37 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1mm5 s LYS 76 CO -0.03 0.26 0.37 -0.25 -0.92 0.00 0.00 175.35 174.78 1mm5 n ASP 77 N 2.80 1.96 0.04 2.83 10.43 -0.28 -4.69 116.55 129.63 1mm5 n ASP 77 Ca -0.01 -2.22 0.12 0.00 2.57 0.00 0.00 54.79 55.26 1mm5 n ASP 77 Cb 0.50 -0.11 0.27 0.00 1.84 0.00 0.00 41.12 43.62 1mm5 n ASP 77 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1mm5 n SER 78 N -2.10 0.58 -1.86 -2.24 3.41 -1.26 -3.75 113.62 106.40 1mm5 n SER 78 Ca 0.03 0.13 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 1mm5 n SER 78 Cb 0.42 -0.01 0.21 0.00 -0.26 0.00 0.00 64.21 64.57 1mm5 n SER 78 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1mm5 n TRP 79 N -1.90 2.20 -3.80 7.33 -0.00 -1.26 -4.89 117.44 115.13 1mm5 n TRP 79 Ca 0.05 -1.24 -0.27 0.00 -0.00 0.00 0.00 57.50 56.04 1mm5 n TRP 79 Cb 0.40 -0.68 0.04 0.00 -0.00 0.00 0.00 31.31 31.07 1mm5 n TRP 79 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1mm5 n ASN 80 N -0.36 -4.29 -4.23 5.87 3.02 -1.25 -4.98 115.26 109.04 1mm5 n ASN 80 Ca 0.39 -0.74 -0.17 0.00 -0.03 0.00 0.00 54.58 54.04 1mm5 n ASN 80 Cb 1.30 -4.19 -0.11 0.00 -0.61 0.00 0.00 39.78 36.18 1mm5 n ASN 80 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1mm5 s LYS 81 N -6.39 0.99 -0.11 3.52 -2.85 -1.26 -5.00 119.74 108.64 1mm5 s LYS 81 Ca 0.50 -1.26 0.01 0.00 -1.00 0.00 0.00 55.97 54.22 1mm5 s LYS 81 Cb -0.24 -0.78 -0.01 0.00 -2.06 0.00 0.00 37.83 34.74 1mm5 s LYS 81 CO 0.80 0.14 -0.15 1.67 0.10 0.00 0.00 175.35 177.91 1mm5 s TRP 82 N -2.41 2.74 -0.50 1.78 1.48 -1.26 -1.13 118.94 119.65 1mm5 s TRP 82 Ca 0.09 -0.66 -0.09 0.00 -1.06 0.00 0.00 56.10 54.38 1mm5 s TRP 82 Cb -0.03 -1.79 0.13 0.00 -1.16 0.00 0.00 33.47 30.62 1mm5 s TRP 82 CO 0.02 -0.20 0.37 -2.00 -4.06 0.00 0.00 176.95 171.08 1mm5 s GLU 83 N 0.21 2.54 0.58 3.25 -6.30 -0.08 -4.90 118.70 114.00 1mm5 s GLU 83 Ca -0.10 -1.86 -0.14 0.00 -2.50 0.00 0.00 54.97 50.37 1mm5 s GLU 83 Cb -0.16 -3.94 -0.05 0.00 0.00 0.00 0.00 34.13 29.99 1mm5 s GLU 83 CO 0.06 -1.20 1.02 -1.25 0.02 0.00 0.00 175.26 173.91 1mm5 s PRO 84 N 1.19 3.63 -0.19 4.30 0.04 -1.26 -2.60 135.00 140.12 1mm5 s PRO 84 Ca 0.07 0.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 1mm5 s PRO 84 Cb -0.25 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.29 1mm5 s PRO 84 CO -0.01 -0.54 0.39 -1.50 0.04 0.00 0.00 177.00 175.38 1mm5 s ILE 85 N -2.78 -0.61 -0.24 0.56 2.07 -0.71 -2.60 121.20 116.89 1mm5 s ILE 85 Ca 0.59 0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.98 1mm5 s ILE 85 Cb -0.12 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.84 1mm5 s ILE 85 CO 0.41 0.08 -0.03 0.00 -1.91 0.00 0.00 174.94 173.48 1mm5 s ALA 86 N 2.58 2.81 -0.04 1.50 0.00 0.02 -1.05 121.76 127.59 1mm5 s ALA 86 Ca -0.01 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 50.72 1mm5 s ALA 86 Cb -0.12 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 1mm5 s ALA 86 CO -0.12 -0.61 -0.24 0.20 0.00 0.00 0.00 175.76 174.99 1mm5 s GLY 87 N 1.43 1.33 -0.28 0.00 0.00 -1.08 -0.64 107.32 108.08 1mm5 s GLY 87 Ca 0.04 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 43.48 1mm5 s GLY 87 CO -0.03 -0.80 0.66 -0.19 0.00 0.00 0.00 173.10 172.73 1mm5 s TYR 88 N -0.47 3.25 -0.26 1.90 2.02 0.08 -2.23 117.35 121.65 1mm5 s TYR 88 Ca 0.06 0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 57.38 1mm5 s TYR 88 Cb -0.11 -2.95 -0.05 0.00 -0.40 0.00 0.00 41.96 38.45 1mm5 s TYR 88 CO 0.01 -0.41 0.26 0.20 -1.57 0.00 0.00 175.55 174.03 1mm5 s GLY 89 N 1.54 1.95 -0.21 0.71 0.00 0.48 -1.95 107.32 109.85 1mm5 s GLY 89 Ca 0.27 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1mm5 s GLY 89 CO 0.10 0.69 -0.05 0.86 0.00 0.00 0.00 173.10 174.70 1mm5 s TRP 90 N 1.59 2.13 0.19 1.90 -0.11 0.28 -2.60 118.94 122.31 1mm5 s TRP 90 Ca 0.11 -1.50 -0.06 0.00 1.22 0.00 0.00 56.10 55.86 1mm5 s TRP 90 Cb -0.15 -1.48 -0.02 0.00 -1.50 0.00 0.00 33.47 30.31 1mm5 s TRP 90 CO 0.08 -0.72 0.25 -1.21 -4.62 0.00 0.00 176.95 170.74 1mm5 s GLU 91 N 1.49 1.24 -0.28 5.86 2.02 -1.05 -0.42 118.70 127.55 1mm5 s GLU 91 Ca -0.03 -1.38 0.03 0.00 0.02 0.00 0.00 54.97 53.61 1mm5 s GLU 91 Cb -0.17 0.35 0.07 0.00 0.10 0.00 0.00 34.13 34.47 1mm5 s GLU 91 CO -0.07 -0.45 -0.06 -1.54 0.02 0.00 0.00 175.26 173.16 1mm5 s SER 92 N -3.05 4.57 0.29 -0.19 1.04 0.01 -2.36 113.70 114.01 1mm5 s SER 92 Ca 0.27 -1.57 -0.28 0.00 0.48 0.00 0.00 55.95 54.84 1mm5 s SER 92 Cb 0.04 -1.59 -0.09 0.00 0.10 0.00 0.00 66.02 64.48 1mm5 s SER 92 CO 0.07 -0.24 1.03 0.28 0.98 0.00 0.00 173.24 175.35 1mm5 s THR 93 N 1.07 3.78 -0.07 2.02 -1.32 -1.26 -2.60 115.64 117.26 1mm5 s THR 93 Ca -0.04 1.69 -0.01 0.00 -1.21 0.00 0.00 61.69 62.12 1mm5 s THR 93 Cb -0.20 -4.03 0.03 0.00 -1.51 0.00 0.00 72.50 66.79 1mm5 s THR 93 CO -0.05 0.32 -0.02 0.86 -2.21 0.00 0.00 174.62 173.52 1mm5 s TRP 94 N -1.30 0.80 -0.43 9.09 -0.00 -0.12 -4.93 118.94 122.04 1mm5 s TRP 94 Ca 0.46 -0.25 -0.17 0.00 -0.00 0.00 0.00 56.10 56.14 1mm5 s TRP 94 Cb -0.27 -0.82 0.03 0.00 -0.00 0.00 0.00 33.47 32.41 1mm5 s TRP 94 CO 0.34 -0.32 0.44 1.03 -0.00 0.00 0.00 176.95 178.45 1mm5 s ARG 95 N 1.65 3.08 0.71 5.86 0.52 -1.26 -2.59 118.95 126.91 1mm5 s ARG 95 Ca 0.01 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 1mm5 s ARG 95 Cb -0.13 -3.99 0.18 0.00 0.52 0.00 0.00 34.95 31.53 1mm5 s ARG 95 CO -0.04 -0.89 0.59 -0.35 0.02 0.00 0.00 175.30 174.62 1mm5 n PRO 96 N 5.60 -2.44 -0.11 3.54 -0.04 -1.25 -5.01 135.00 135.29 1mm5 n PRO 96 Ca -0.08 -0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 62.32 1mm5 n PRO 96 Cb 0.47 -0.93 -0.15 0.00 -0.04 0.00 0.00 33.50 32.84 1mm5 n PRO 96 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1mm5 n LEU 97 N 0.00 0.66 -0.18 1.53 0.00 -1.26 -4.41 117.00 113.34 1mm5 n LEU 97 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 56.01 55.99 1mm5 n LEU 97 Cb 0.33 0.19 0.07 0.00 0.00 0.00 0.00 43.42 44.01 1mm5 n LEU 97 CO 0.22 0.59 0.84 0.00 0.00 0.00 0.00 177.39 179.05 1mm5 h ALA 98 N 0.78 0.92 -3.51 1.96 0.00 -2.00 -3.44 119.26 113.97 1mm5 h ALA 98 Ca -0.55 -0.30 -0.38 0.00 0.00 0.00 0.00 54.91 53.68 1mm5 h ALA 98 Cb 2.17 -0.21 -0.23 0.00 0.00 0.00 0.00 17.79 19.52 1mm5 h ALA 98 CO 0.01 0.64 -0.77 -0.51 0.00 0.00 0.00 179.25 178.62 1mm5 s ASP 99 N -6.60 1.38 -0.17 0.00 -0.00 -1.26 -5.06 116.67 104.96 1mm5 s ASP 99 Ca -0.11 -0.50 -0.05 0.00 -0.00 0.00 0.00 52.55 51.89 1mm5 s ASP 99 Cb 0.14 -0.05 -0.09 0.00 -0.00 0.00 0.00 42.92 42.92 1mm5 s ASP 99 CO 0.84 -0.06 -0.19 1.21 -0.00 0.00 0.00 175.17 176.97 1mm5 n GLU 100 N 1.68 0.39 0.12 8.23 0.00 -1.26 -3.88 120.64 125.93 1mm5 n GLU 100 Ca -0.20 0.14 0.02 0.00 0.00 0.00 0.00 57.16 57.12 1mm5 n GLU 100 Cb 0.55 -1.22 0.37 0.00 0.00 0.00 0.00 31.44 31.14 1mm5 n GLU 100 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.13 174.18 1mm5 h ASN 101 N -0.36 0.21 -3.04 4.31 -1.07 -1.97 -3.41 115.58 110.25 1mm5 h ASN 101 Ca -0.42 -0.05 -0.57 0.00 0.07 0.00 0.00 56.30 55.33 1mm5 h ASN 101 Cb 1.47 -0.06 -0.05 0.00 -2.07 0.00 0.00 38.32 37.62 1mm5 h ASN 101 CO -0.18 0.41 0.87 -0.36 0.07 0.00 0.00 177.43 178.24 1mm5 s PHE 102 N -4.62 3.03 -0.15 4.14 0.08 -1.26 -4.10 117.98 115.09 1mm5 s PHE 102 Ca -0.05 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.17 1mm5 s PHE 102 Cb 0.15 -3.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.10 1mm5 s PHE 102 CO 0.74 -1.19 -0.14 -1.01 -0.10 0.00 0.00 175.22 173.52 1mm5 s HIS 103 N 3.52 2.79 -0.17 0.36 3.76 -0.86 -4.51 115.29 120.17 1mm5 s HIS 103 Ca 0.50 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1mm5 s HIS 103 Cb -0.18 -1.88 0.02 0.00 1.11 0.00 0.00 32.58 31.65 1mm5 s HIS 103 CO 0.13 -0.41 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.25 1mm5 s LEU 104 N 0.71 2.18 0.36 0.89 0.20 -1.07 -1.21 118.68 120.74 1mm5 s LEU 104 Ca -0.07 -0.62 0.04 0.00 0.69 0.00 0.00 54.13 54.17 1mm5 s LEU 104 Cb -0.15 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 1mm5 s LEU 104 CO 0.02 0.02 0.15 -0.83 -0.29 0.00 0.00 176.35 175.41 1mm5 s GLY 105 N 1.20 2.34 -0.05 7.98 0.00 0.32 -0.95 107.32 118.16 1mm5 s GLY 105 Ca 0.03 -1.58 -0.17 0.00 0.00 0.00 0.00 44.72 43.00 1mm5 s GLY 105 CO -0.10 -1.70 0.38 0.48 0.00 0.00 0.00 173.10 172.16 1mm5 s LEU 106 N -3.49 0.57 0.00 0.66 2.34 -1.07 -2.55 118.68 115.14 1mm5 s LEU 106 Ca 0.31 0.33 0.00 0.00 0.06 0.00 0.00 54.13 54.82 1mm5 s LEU 106 Cb 0.04 1.46 0.00 0.00 -0.56 0.00 0.00 46.19 47.13 1mm5 s LEU 106 CO 0.17 -0.40 0.00 0.61 -1.06 0.00 0.00 176.35 175.67 1mm5 n GLY 107 N 1.57 -0.67 3.34 -3.48 0.00 -1.06 -0.81 105.19 104.10 1mm5 n GLY 107 Ca -0.19 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1mm5 n GLY 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mm5 s PHE 108 N -4.00 0.49 -0.15 1.61 -0.71 0.44 -2.22 117.98 113.43 1mm5 s PHE 108 Ca 0.00 -0.84 -0.05 0.00 -1.04 0.00 0.00 56.93 55.00 1mm5 s PHE 108 Cb 0.00 -0.10 0.07 0.00 -1.21 0.00 0.00 43.02 41.79 1mm5 s PHE 108 CO 0.00 -0.73 0.28 0.95 -1.34 0.00 0.00 175.22 174.38 1mm5 s THR 109 N -4.00 -0.44 -0.29 -4.49 -4.23 -1.00 -0.56 115.64 100.64 1mm5 s THR 109 Ca 0.20 0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.76 1mm5 s THR 109 Cb 0.03 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.33 1mm5 s THR 109 CO 0.02 0.06 0.36 0.00 -0.54 0.00 0.00 174.62 174.52 1mm5 s ALA 110 N 2.43 3.54 -0.08 3.99 0.00 -0.82 -2.59 121.76 128.23 1mm5 s ALA 110 Ca 0.02 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1mm5 s ALA 110 Cb -0.13 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1mm5 s ALA 110 CO -0.10 -0.78 0.40 0.20 0.00 0.00 0.00 175.76 175.48 1mm5 s GLY 111 N 1.68 2.38 -0.27 0.00 0.00 -0.29 -0.74 107.32 110.09 1mm5 s GLY 111 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.55 1mm5 s GLY 111 CO 0.11 0.42 0.01 0.14 0.00 0.00 0.00 173.10 173.77 1mm5 s VAL 112 N -0.14 3.41 -0.09 1.40 1.01 0.18 -0.43 120.40 125.74 1mm5 s VAL 112 Ca 0.23 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1mm5 s VAL 112 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1mm5 s VAL 112 CO 0.10 0.14 0.19 0.42 0.00 0.00 0.00 175.10 175.95 1mm5 s THR 113 N 1.41 5.43 -0.30 3.92 -4.23 -1.07 -0.80 115.64 120.00 1mm5 s THR 113 Ca 0.01 0.30 -0.22 0.00 -1.18 0.00 0.00 61.69 60.60 1mm5 s THR 113 Cb -0.17 -3.46 -0.00 0.00 1.34 0.00 0.00 72.50 70.21 1mm5 s THR 113 CO -0.01 0.60 0.73 0.00 -0.54 0.00 0.00 174.62 175.40 1mm5 s ALA 114 N -1.05 3.54 0.04 3.99 0.00 -1.07 -0.86 121.76 126.34 1mm5 s ALA 114 Ca 0.17 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1mm5 s ALA 114 Cb -0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1mm5 s ALA 114 CO 0.06 -1.13 -0.23 0.50 0.00 0.00 0.00 175.76 174.95 1mm5 s ARG 115 N 2.82 1.61 -0.75 0.00 3.52 -1.26 -4.78 118.95 120.11 1mm5 s ARG 115 Ca 0.30 -1.01 -0.02 0.00 -0.13 0.00 0.00 55.73 54.87 1mm5 s ARG 115 Cb -0.14 -1.74 0.19 0.00 -1.56 0.00 0.00 34.95 31.70 1mm5 s ARG 115 CO 0.12 0.45 0.60 0.34 -0.81 0.00 0.00 175.30 176.00 1mm5 s ASP 116 N -1.16 5.56 -0.02 -2.12 2.15 -1.26 -3.66 116.67 116.17 1mm5 s ASP 116 Ca 0.09 -3.30 -0.02 0.00 0.43 0.00 0.00 52.55 49.76 1mm5 s ASP 116 Cb -0.09 -1.87 -0.01 0.00 -0.30 0.00 0.00 42.92 40.65 1mm5 s ASP 116 CO 0.02 -0.27 -0.03 -3.20 -0.17 0.00 0.00 175.17 171.51 1mm5 n ASN 117 N 2.89 0.21 -0.09 -0.34 2.85 -1.26 -4.89 115.26 114.64 1mm5 n ASN 117 Ca 0.15 0.04 -0.21 0.00 -0.11 0.00 0.00 54.58 54.44 1mm5 n ASN 117 Cb 0.37 -0.44 -0.12 0.00 1.24 0.00 0.00 39.78 40.83 1mm5 n ASN 117 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1mm5 n TRP 118 N -2.71 0.45 0.20 1.20 8.01 -1.26 -5.00 117.44 118.33 1mm5 n TRP 118 Ca -0.01 0.12 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1mm5 n TRP 118 Cb 0.05 -1.06 0.00 0.00 -2.01 0.00 0.00 31.31 28.30 1mm5 n TRP 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1mm5 n ASN 119 N -3.61 -3.31 -2.66 -0.99 3.02 -1.26 -5.06 115.26 101.38 1mm5 n ASN 119 Ca -0.42 0.78 -0.04 0.00 -0.03 0.00 0.00 54.58 54.87 1mm5 n ASN 119 Cb 0.96 3.14 0.10 0.00 -0.61 0.00 0.00 39.78 43.37 1mm5 n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mm5 n TYR 120 N -3.38 -0.49 -3.45 3.10 9.36 -1.26 -4.85 117.16 116.19 1mm5 n TYR 120 Ca 0.00 -0.73 -0.43 0.00 3.32 0.00 0.00 57.90 60.05 1mm5 n TYR 120 Cb 0.00 1.15 -0.08 0.00 -0.63 0.00 0.00 39.34 39.77 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 0.07 4.95 1.01 2.97 1.09 -1.24 -4.99 121.20 125.06 1mm5 s ILE 121 Ca 0.23 -1.17 -0.12 0.00 -1.10 0.00 0.00 60.65 58.49 1mm5 s ILE 121 Cb 0.26 -3.98 0.16 0.00 -1.06 0.00 0.00 42.46 37.84 1mm5 s ILE 121 CO -0.15 -0.56 0.90 -2.65 -0.10 0.00 0.00 174.94 172.37 1mm5 n PRO 122 N 5.12 -1.03 -3.73 2.79 -0.02 -1.26 -4.30 135.00 132.57 1mm5 n PRO 122 Ca -0.12 -0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 60.82 1mm5 n PRO 122 Cb 0.43 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 1mm5 n PRO 122 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mm5 s LEU 123 N -5.39 3.09 0.54 2.45 1.43 -0.04 -4.94 118.68 115.82 1mm5 s LEU 123 Ca 0.65 -2.94 -0.18 0.00 -1.03 0.00 0.00 54.13 50.63 1mm5 s LEU 123 Cb -0.22 -1.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.80 1mm5 s LEU 123 CO 0.62 -0.22 1.06 -2.16 0.23 0.00 0.00 176.35 175.88 1mm5 s PRO 124 N -0.07 3.55 -0.20 1.29 0.04 -1.26 -2.60 135.00 135.76 1mm5 s PRO 124 Ca 0.21 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 1mm5 s PRO 124 Cb -0.18 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.40 1mm5 s PRO 124 CO -0.05 -0.64 0.35 0.14 0.04 0.00 0.00 177.00 176.85 1mm5 s VAL 125 N -2.16 -0.55 -0.04 -0.36 -7.23 0.43 -4.95 120.40 105.53 1mm5 s VAL 125 Ca 0.66 0.10 -0.28 0.00 -1.81 0.00 0.00 61.98 60.65 1mm5 s VAL 125 Cb -0.17 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 1mm5 s VAL 125 CO 0.28 0.00 0.90 -0.76 -0.31 0.00 0.00 175.10 175.21 1mm5 s LEU 126 N 2.52 4.33 -0.10 1.32 1.43 -1.26 -1.13 118.68 125.78 1mm5 s LEU 126 Ca 0.04 1.49 -0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1mm5 s LEU 126 Cb -0.13 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.71 1mm5 s LEU 126 CO -0.13 -0.26 0.02 -0.22 0.23 0.00 0.00 176.35 176.00 1mm5 s LEU 127 N 1.17 0.66 0.30 1.79 1.98 -1.07 -4.97 118.68 118.54 1mm5 s LEU 127 Ca 0.47 -0.28 -0.29 0.00 -2.89 0.00 0.00 54.13 51.14 1mm5 s LEU 127 Cb -0.19 -0.43 -0.10 0.00 0.66 0.00 0.00 46.19 46.12 1mm5 s LEU 127 CO 0.23 -0.24 1.27 -2.84 -1.89 0.00 0.00 176.35 172.89 1mm5 s PRO 128 N 1.98 4.41 0.05 0.98 0.02 -1.26 -2.36 135.00 138.81 1mm5 s PRO 128 Ca 0.03 2.12 -0.27 0.00 0.02 0.00 0.00 61.00 62.90 1mm5 s PRO 128 Cb -0.14 -3.11 0.09 0.00 0.02 0.00 0.00 34.50 31.36 1mm5 s PRO 128 CO -0.06 -0.13 0.91 -0.48 -0.33 0.00 0.00 177.00 176.91 1mm5 s LEU 129 N -1.42 -0.31 0.41 -5.54 0.05 -0.94 -2.60 118.68 108.33 1mm5 s LEU 129 Ca 0.50 -0.13 0.08 0.00 0.05 0.00 0.00 54.13 54.63 1mm5 s LEU 129 Cb -0.38 2.08 -0.03 0.00 -2.05 0.00 0.00 46.19 45.80 1mm5 s LEU 129 CO 0.48 -0.71 0.30 0.00 -0.55 0.00 0.00 176.35 175.87 1mm5 s ALA 130 N -3.18 3.87 -0.04 1.48 0.00 0.44 -2.55 121.76 121.79 1mm5 s ALA 130 Ca 0.07 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.12 1mm5 s ALA 130 Cb -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1mm5 s ALA 130 CO -0.06 -0.18 -0.13 -1.54 0.00 0.00 0.00 175.76 173.85 1mm5 s SER 131 N -4.04 1.70 0.11 0.00 1.04 -1.06 -2.59 113.70 108.86 1mm5 s SER 131 Ca 0.45 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1mm5 s SER 131 Cb -0.01 -0.47 -0.04 0.00 0.10 0.00 0.00 66.02 65.59 1mm5 s SER 131 CO 0.26 0.11 -0.08 -0.69 0.98 0.00 0.00 173.24 173.81 1mm5 s VAL 132 N 0.13 0.90 -0.00 5.02 1.01 0.46 -0.52 120.40 127.40 1mm5 s VAL 132 Ca -0.04 -1.90 -0.16 0.00 0.00 0.00 0.00 61.98 59.88 1mm5 s VAL 132 Cb -0.10 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1mm5 s VAL 132 CO 0.01 -0.76 0.35 -0.83 0.00 0.00 0.00 175.10 173.88 1mm5 s GLY 133 N -2.94 -0.20 -0.30 4.51 0.00 -0.35 -0.79 107.32 107.26 1mm5 s GLY 133 Ca 0.12 0.37 -0.03 0.00 0.00 0.00 0.00 44.72 45.18 1mm5 s GLY 133 CO -0.02 0.14 0.63 -2.52 0.00 0.00 0.00 173.10 171.34 1mm5 s TYR 134 N -1.58 -1.51 0.00 1.90 1.13 -0.13 -2.04 117.35 115.13 1mm5 s TYR 134 Ca -0.11 1.78 0.00 0.00 -1.41 0.00 0.00 57.07 57.32 1mm5 s TYR 134 Cb -0.04 0.59 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1mm5 s TYR 134 CO 0.03 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.67 1mm5 n GLY 135 N 5.43 2.37 1.28 5.49 0.00 -1.26 -2.59 105.19 115.92 1mm5 n GLY 135 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 13.40 2.26 -3.93 1.61 -0.04 -1.26 -4.86 135.00 142.18 1mm5 n PRO 136 Ca 0.00 -1.36 -0.10 0.00 -0.04 0.00 0.00 63.50 62.00 1mm5 n PRO 136 Cb 0.00 -1.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.64 1mm5 n PRO 136 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mm5 s VAL 137 N -1.64 0.10 0.04 0.52 0.11 -1.07 -4.59 120.40 113.87 1mm5 s VAL 137 Ca 0.24 -0.82 0.07 0.00 -2.93 0.00 0.00 61.98 58.55 1mm5 s VAL 137 Cb 0.19 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1mm5 s VAL 137 CO 0.06 -0.45 -0.20 0.42 -3.33 0.00 0.00 175.10 171.60 1mm5 s THR 138 N -1.45 1.63 -0.09 5.04 -4.23 -1.07 -0.95 115.64 114.52 1mm5 s THR 138 Ca -0.15 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1mm5 s THR 138 Cb -0.09 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1mm5 s THR 138 CO 0.00 0.19 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.80 1mm5 s PHE 139 N -0.81 1.51 -0.04 3.99 0.40 0.03 -2.27 117.98 120.79 1mm5 s PHE 139 Ca 0.07 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1mm5 s PHE 139 Cb -0.09 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1mm5 s PHE 139 CO 0.02 -0.40 -0.14 -0.65 0.70 0.00 0.00 175.22 174.74 1mm5 s GLN 140 N 1.15 2.46 -0.07 0.44 1.11 -1.07 -0.40 119.66 123.27 1mm5 s GLN 140 Ca -0.05 -0.73 0.04 0.00 0.01 0.00 0.00 55.36 54.63 1mm5 s GLN 140 Cb -0.14 -2.36 0.00 0.00 -1.01 0.00 0.00 33.01 29.50 1mm5 s GLN 140 CO -0.02 0.61 -0.18 0.00 0.01 0.00 0.00 175.29 175.71 1mm5 s MET 141 N -0.83 2.19 0.05 2.91 0.23 -1.07 -2.48 119.30 120.31 1mm5 s MET 141 Ca 0.12 -0.64 0.05 0.00 -1.03 0.00 0.00 55.69 54.18 1mm5 s MET 141 Cb -0.11 -1.77 -0.04 0.00 -1.53 0.00 0.00 34.83 31.39 1mm5 s MET 141 CO 0.01 0.15 -0.06 0.99 -2.03 0.00 0.00 175.02 174.08 1mm5 s THR 142 N 0.34 3.65 -0.21 3.16 2.01 0.44 -0.42 115.64 124.61 1mm5 s THR 142 Ca -0.12 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 60.88 1mm5 s THR 142 Cb -0.15 -2.65 0.07 0.00 0.01 0.00 0.00 72.50 69.78 1mm5 s THR 142 CO 0.05 0.26 0.10 -0.72 -0.69 0.00 0.00 174.62 173.62 1mm5 s TYR 143 N -1.12 0.36 -0.22 4.92 1.13 -1.07 -2.59 117.35 118.76 1mm5 s TYR 143 Ca 0.20 -0.59 -0.15 0.00 -1.41 0.00 0.00 57.07 55.12 1mm5 s TYR 143 Cb -0.11 -0.82 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 1mm5 s TYR 143 CO 0.11 -0.63 0.35 -1.50 -2.51 0.00 0.00 175.55 171.38 1mm5 s ILE 144 N 2.08 5.22 0.05 -3.49 2.07 -1.07 -4.62 121.20 121.45 1mm5 s ILE 144 Ca 0.04 0.59 -0.31 0.00 -1.41 0.00 0.00 60.65 59.57 1mm5 s ILE 144 Cb -0.16 -3.69 -0.06 0.00 0.13 0.00 0.00 42.46 38.68 1mm5 s ILE 144 CO -0.18 0.25 1.36 -2.16 -1.91 0.00 0.00 174.94 172.29 1mm5 s PRO 145 N 1.44 4.32 -0.23 3.50 0.04 -1.26 -2.58 135.00 140.23 1mm5 s PRO 145 Ca 0.16 1.97 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1mm5 s PRO 145 Cb -0.15 -3.41 -0.20 0.00 0.04 0.00 0.00 34.50 30.78 1mm5 s PRO 145 CO 0.08 -0.47 -0.09 0.41 0.04 0.00 0.00 177.00 176.98 1mm5 n GLY 146 N 3.51 -0.60 1.16 0.56 0.00 -1.26 -4.87 105.19 103.69 1mm5 n GLY 146 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1mm5 n GLY 146 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mm5 n THR 147 N -3.09 0.00 -3.63 2.61 -2.24 -1.26 -5.05 114.28 101.62 1mm5 n THR 147 Ca -0.40 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 1mm5 n THR 147 Cb 1.05 -0.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.27 1mm5 n THR 147 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1mm5 n TYR 148 N -2.08 -1.16 0.20 4.78 4.01 -1.26 -5.02 117.16 116.62 1mm5 n TYR 148 Ca 0.00 -1.83 0.08 0.00 -0.16 0.00 0.00 57.90 55.99 1mm5 n TYR 148 Cb 0.00 -0.38 0.28 0.00 -0.31 0.00 0.00 39.34 38.93 1mm5 n TYR 148 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1mm5 h ASN 149 N 0.42 0.00 0.22 7.72 4.21 -2.01 -3.09 115.58 123.05 1mm5 h ASN 149 Ca -0.26 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.23 1mm5 h ASN 149 Cb 1.02 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.21 1mm5 h ASN 149 CO 0.41 0.26 -0.07 0.78 -1.29 0.00 0.00 177.43 177.51 1mm5 h ASN 150 N 0.00 0.00 0.00 5.81 4.21 -2.00 -3.49 115.58 120.12 1mm5 h ASN 150 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1mm5 h ASN 150 Cb 0.99 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.19 1mm5 h ASN 150 CO 0.03 0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.86 1mm5 n GLY 151 N -0.94 -1.35 2.20 2.83 0.00 -1.17 -5.01 105.19 101.75 1mm5 n GLY 151 Ca -0.02 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.60 -4.46 1.61 4.05 -1.06 -4.05 115.26 107.74 1mm5 n ASN 152 Ca 0.00 0.81 -0.33 0.00 0.45 0.00 0.00 54.58 55.51 1mm5 n ASN 152 Cb 0.00 3.40 -0.13 0.00 1.23 0.00 0.00 39.78 44.27 1mm5 n ASN 152 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1mm5 s VAL 153 N -2.00 3.06 0.00 3.44 1.01 -1.22 -5.02 120.40 119.67 1mm5 s VAL 153 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1mm5 s VAL 153 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1mm5 s VAL 153 CO 0.00 0.58 -0.24 -0.31 0.00 0.00 0.00 175.10 175.13 1mm5 s TYR 154 N -0.55 2.17 -0.04 5.22 2.02 -1.26 -2.59 117.35 122.32 1mm5 s TYR 154 Ca 0.08 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1mm5 s TYR 154 Cb -0.12 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.11 1mm5 s TYR 154 CO 0.01 0.02 0.09 -0.06 -1.57 0.00 0.00 175.55 174.04 1mm5 s PHE 155 N -0.65 -0.09 0.06 2.71 0.08 -1.07 -2.94 117.98 116.09 1mm5 s PHE 155 Ca 0.10 0.30 0.06 0.00 0.12 0.00 0.00 56.93 57.50 1mm5 s PHE 155 Cb -0.09 -0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.26 1mm5 s PHE 155 CO 0.00 -0.10 -0.15 0.00 -0.10 0.00 0.00 175.22 174.87 1mm5 s ALA 156 N 0.67 1.28 0.14 5.36 0.00 -1.07 -0.42 121.76 127.71 1mm5 s ALA 156 Ca -0.05 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 1mm5 s ALA 156 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1mm5 s ALA 156 CO -0.03 0.22 0.21 1.67 0.00 0.00 0.00 175.76 177.83 1mm5 s TRP 157 N -1.08 0.42 0.07 0.00 -2.14 -1.03 -3.16 118.94 112.01 1mm5 s TRP 157 Ca 0.01 -0.81 0.04 0.00 2.66 0.00 0.00 56.10 58.00 1mm5 s TRP 157 Cb -0.09 -0.14 -0.04 0.00 -3.10 0.00 0.00 33.47 30.10 1mm5 s TRP 157 CO 0.02 -0.63 -0.01 1.41 -2.66 0.00 0.00 176.95 175.08 1mm5 s MET 158 N -3.95 2.58 -0.04 3.25 1.75 -0.52 -2.59 119.30 119.78 1mm5 s MET 158 Ca 0.15 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.80 1mm5 s MET 158 Cb 0.05 -2.55 0.02 0.00 2.84 0.00 0.00 34.83 35.19 1mm5 s MET 158 CO -0.03 0.56 -0.03 0.50 -0.65 0.00 0.00 175.02 175.38 1mm5 s ARG 159 N -2.10 0.65 -0.13 4.11 3.00 -0.96 -1.63 118.95 121.89 1mm5 s ARG 159 Ca 0.24 -0.02 -0.07 0.00 -1.00 0.00 0.00 55.73 54.88 1mm5 s ARG 159 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 34.95 34.03 1mm5 s ARG 159 CO 0.16 -0.13 0.11 -0.06 0.00 0.00 0.00 175.30 175.37 1mm5 s PHE 160 N 1.11 3.46 -0.30 5.12 0.40 -0.95 -2.60 117.98 124.22 1mm5 s PHE 160 Ca -0.08 0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 1mm5 s PHE 160 Cb -0.14 -1.96 0.06 0.00 0.51 0.00 0.00 43.02 41.49 1mm5 s PHE 160 CO -0.01 0.56 -0.02 -0.65 0.70 0.00 0.00 175.22 175.80 1mm5 s GLN 161 N -0.64 2.21 -0.04 0.44 -0.21 -1.25 -2.15 119.66 118.02 1mm5 s GLN 161 Ca 0.12 -1.42 -0.16 0.00 0.02 0.00 0.00 55.36 53.93 1mm5 s GLN 161 Cb -0.12 -3.12 -0.05 0.00 1.00 0.00 0.00 33.01 30.72 1mm5 s GLN 161 CO 0.02 -0.68 0.43 -0.06 -2.12 0.00 0.00 175.29 172.88 1mm5 s PHE 162 N 1.15 3.66 -0.12 0.91 0.08 -0.70 -4.92 117.98 118.04 1mm5 s PHE 162 Ca -0.03 0.96 -0.02 0.00 0.12 0.00 0.00 56.93 57.95 1mm5 s PHE 162 Cb -0.20 -2.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 1mm5 s PHE 162 CO -0.04 0.49 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.03 1mm5 s LEU 163 N -0.54 3.30 0.00 -0.37 1.43 -1.26 -2.37 118.68 118.87 1mm5 s LEU 163 Ca 0.24 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1mm5 s LEU 163 Cb -0.16 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1mm5 s LEU 163 CO 0.12 0.25 0.00 -0.62 0.23 0.00 0.00 176.35 176.33 1mm5 n GLU 164 N 2.98 -1.98 -3.19 1.70 -0.58 -1.26 -4.92 120.64 113.40 1mm5 n GLU 164 Ca -0.18 1.30 -0.21 0.00 -0.42 0.00 0.00 57.16 57.66 1mm5 n GLU 164 Cb 0.53 -2.41 0.05 0.00 -0.57 0.00 0.00 31.44 29.04 1mm5 n GLU 164 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1mm5 s HIS 165 N -1.51 1.34 0.00 -0.32 3.76 -1.26 -5.00 115.29 112.30 1mm5 s HIS 165 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1mm5 s HIS 165 Cb 0.00 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1mm5 s HIS 165 CO 0.00 -1.09 0.76 0.72 -0.85 0.00 0.00 174.74 174.28 1mm5 n HIS 166 N -2.19 0.00 -1.70 1.40 8.25 -1.26 -4.82 115.22 114.91 1mm5 n HIS 166 Ca 0.13 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.29 1mm5 n HIS 166 Cb 0.62 -0.44 0.07 0.00 1.12 0.00 0.00 29.99 31.36 1mm5 n HIS 166 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1mm5 s HIS 167 N -2.41 3.04 -0.18 4.41 0.00 -1.26 -5.00 115.29 113.89 1mm5 s HIS 167 Ca 0.00 1.11 0.14 0.00 -3.00 0.00 0.00 55.06 53.30 1mm5 s HIS 167 Cb 0.00 -3.10 0.43 0.00 -4.00 0.00 0.00 32.58 25.91 1mm5 s HIS 167 CO 0.00 -1.51 1.20 1.58 -1.00 0.00 0.00 174.74 175.01 1mm5 n HIS 168 N -3.25 0.39 -3.69 0.38 -0.00 -1.26 -5.00 115.22 102.79 1mm5 n HIS 168 Ca 0.07 -1.42 -0.12 0.00 0.46 0.00 0.00 57.72 56.71 1mm5 n HIS 168 Cb 0.57 -0.24 -0.12 0.00 -0.12 0.00 0.00 29.99 30.07 1mm5 n HIS 168 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1mm5 s HIS 169 N -2.67 -0.47 -2.91 1.57 3.76 -1.26 -5.22 115.29 108.10 1mm5 s HIS 169 Ca 0.38 1.03 0.23 0.00 -0.15 0.00 0.00 55.06 56.56 1mm5 s HIS 169 Cb 0.38 0.09 0.18 0.00 1.11 0.00 0.00 32.58 34.34 1mm5 s HIS 169 CO -0.07 -0.33 1.24 0.72 -0.85 0.00 0.00 174.74 175.45