#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 1.81 0.02 6.12 6.94 -1.26 -4.67 115.26 124.22 1mm5 n ASN 2 Ca 0.00 -3.19 -0.08 0.00 -0.02 0.00 0.00 54.58 51.30 1mm5 n ASN 2 Cb 0.00 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 36.93 1mm5 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mm5 h ALA 3 N 0.41 -0.16 0.00 -2.53 0.00 -2.07 -3.25 119.26 111.67 1mm5 h ALA 3 Ca -0.02 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1mm5 h ALA 3 Cb 1.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1mm5 h ALA 3 CO 0.01 -0.18 -0.72 0.22 0.00 0.00 0.00 179.25 178.58 1mm5 h ASP 4 N -0.97 0.00 -0.37 0.00 -0.00 -2.02 -3.17 116.42 109.90 1mm5 h ASP 4 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.03 57.10 1mm5 h ASP 4 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.74 1mm5 h ASP 4 CO 0.03 0.72 0.26 -0.08 -0.00 0.00 0.00 179.24 180.16 1mm5 h GLU 5 N 0.00 0.11 -0.08 0.28 4.81 -1.83 0.17 114.58 118.04 1mm5 h GLU 5 Ca -0.01 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1mm5 h GLU 5 Cb 1.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1mm5 h GLU 5 CO 0.09 0.07 -0.41 -1.49 -0.73 0.00 0.00 179.01 176.54 1mm5 h TRP 6 N 0.11 0.19 -0.04 0.92 6.55 -1.57 -2.83 115.95 119.28 1mm5 h TRP 6 Ca 0.17 -0.05 -0.15 0.00 0.95 0.00 0.00 58.89 59.81 1mm5 h TRP 6 Cb 0.54 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.78 1mm5 h TRP 6 CO -0.00 0.56 -0.66 1.98 -1.05 0.00 0.00 178.44 179.26 1mm5 h MET 7 N 0.14 0.19 -0.01 0.49 4.05 -1.11 -2.02 114.93 116.65 1mm5 h MET 7 Ca 0.01 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1mm5 h MET 7 Cb 0.79 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1mm5 h MET 7 CO 0.06 0.78 0.01 1.15 0.23 0.00 0.00 176.91 179.14 1mm5 h THR 8 N 0.13 1.03 -0.33 -0.77 2.02 -1.22 0.91 112.91 114.68 1mm5 h THR 8 Ca -0.01 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 1mm5 h THR 8 Cb 1.19 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1mm5 h THR 8 CO 0.10 0.02 -0.47 0.71 0.37 0.00 0.00 175.52 176.25 1mm5 h THR 9 N -0.02 1.28 -0.86 3.16 1.35 -1.57 -2.87 112.91 113.38 1mm5 h THR 9 Ca 0.00 -1.65 -0.02 0.00 -0.55 0.00 0.00 66.41 64.20 1mm5 h THR 9 Cb 0.03 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 67.93 1mm5 h THR 9 CO -0.00 0.54 0.47 0.15 -0.25 0.00 0.00 175.52 176.43 1mm5 h PHE 10 N 0.69 1.18 -0.22 4.73 3.57 -1.21 -0.40 116.94 125.29 1mm5 h PHE 10 Ca 0.04 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1mm5 h PHE 10 Cb 1.07 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1mm5 h PHE 10 CO 0.07 0.82 0.10 -0.09 -2.23 0.00 0.00 178.31 176.97 1mm5 h ARG 11 N 1.19 0.31 -0.14 1.11 2.43 -0.77 0.11 114.38 118.64 1mm5 h ARG 11 Ca 0.30 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1mm5 h ARG 11 Cb 0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1mm5 h ARG 11 CO -0.05 0.34 -0.23 0.93 -1.51 0.00 0.00 179.97 179.45 1mm5 h GLU 12 N 0.21 0.24 0.26 0.20 5.08 -1.28 0.39 114.58 119.68 1mm5 h GLU 12 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1mm5 h GLU 12 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1mm5 h GLU 12 CO -0.01 0.46 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.43 1mm5 h ASN 13 N 0.22 -0.30 -0.12 1.42 2.35 -0.73 -2.10 115.58 116.32 1mm5 h ASN 13 Ca 0.04 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1mm5 h ASN 13 Cb 0.54 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1mm5 h ASN 13 CO 0.04 0.20 0.03 0.16 -1.65 0.00 0.00 177.43 176.21 1mm5 h ILE 14 N -0.99 1.11 -0.02 2.81 -0.00 -0.79 -1.77 117.51 117.86 1mm5 h ILE 14 Ca -0.04 -0.39 -0.13 0.00 -0.00 0.00 0.00 64.86 64.30 1mm5 h ILE 14 Cb 0.46 0.93 -0.02 0.00 -0.00 0.00 0.00 36.82 38.19 1mm5 h ILE 14 CO 0.06 0.13 -0.62 0.00 -0.00 0.00 0.00 178.15 177.73 1mm5 h ALA 15 N 1.77 0.94 -0.17 0.16 0.00 -0.97 -1.34 119.26 119.65 1mm5 h ALA 15 Ca 0.07 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1mm5 h ALA 15 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1mm5 h ALA 15 CO -0.00 0.76 -0.57 0.37 0.00 0.00 0.00 179.25 179.80 1mm5 h GLN 16 N 0.05 0.53 0.13 0.00 4.15 -0.60 -1.18 115.11 118.19 1mm5 h GLN 16 Ca -0.01 -0.35 -0.29 0.00 0.77 0.00 0.00 58.65 58.77 1mm5 h GLN 16 Cb 1.10 0.05 0.02 0.00 0.21 0.00 0.00 27.48 28.85 1mm5 h GLN 16 CO 0.08 0.96 -1.25 1.79 -1.93 0.00 0.00 178.83 178.48 1mm5 h THR 17 N 0.41 1.36 -0.41 2.39 1.35 -1.39 0.12 112.91 116.74 1mm5 h THR 17 Ca 0.00 -2.68 -0.14 0.00 -0.55 0.00 0.00 66.41 63.03 1mm5 h THR 17 Cb 1.12 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 70.33 1mm5 h THR 17 CO 0.11 0.80 -0.31 -0.25 -0.25 0.00 0.00 175.52 175.62 1mm5 h TRP 18 N 0.18 1.08 0.00 4.73 2.91 -1.25 -3.34 115.95 120.26 1mm5 h TRP 18 Ca -0.17 -0.29 -0.03 0.00 1.13 0.00 0.00 58.89 59.53 1mm5 h TRP 18 Cb 1.94 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 30.34 1mm5 h TRP 18 CO 0.09 1.11 -0.25 1.96 -1.03 0.00 0.00 178.44 180.32 1mm5 h GLN 19 N 0.77 0.00 -4.76 2.65 4.20 -1.30 -3.43 115.11 113.24 1mm5 h GLN 19 Ca 0.08 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.09 1mm5 h GLN 19 Cb 0.89 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.48 1mm5 h GLN 19 CO 0.08 0.39 0.04 -0.65 -0.67 0.00 0.00 178.83 178.02 1mm5 s GLN 20 N -1.96 3.07 0.55 1.46 -0.21 0.41 -4.83 119.66 118.16 1mm5 s GLN 20 Ca -0.11 -1.14 0.33 0.00 0.02 0.00 0.00 55.36 54.46 1mm5 s GLN 20 Cb 0.00 -4.18 1.50 0.00 1.00 0.00 0.00 33.01 31.33 1mm5 s GLN 20 CO 0.30 -1.35 2.04 -1.00 -2.12 0.00 0.00 175.29 173.16 1mm5 h PRO 21 N 9.06 0.00 -4.14 2.91 0.13 -1.79 -3.37 132.00 134.79 1mm5 h PRO 21 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1mm5 h PRO 21 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1mm5 h PRO 21 CO 1.02 0.05 -0.80 0.39 -0.23 0.00 0.00 178.00 178.44 1mm5 n GLU 22 N -3.22 -4.06 -3.61 0.86 1.02 -1.26 -5.07 120.64 105.31 1mm5 n GLU 22 Ca -0.00 3.06 -0.11 0.00 -0.02 0.00 0.00 57.16 60.09 1mm5 n GLU 22 Cb 0.27 -3.84 -0.11 0.00 -0.02 0.00 0.00 31.44 27.75 1mm5 n GLU 22 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1mm5 s HIS 23 N -0.47 -0.64 -0.34 -0.32 2.46 -1.26 -4.98 115.29 109.74 1mm5 s HIS 23 Ca -0.01 1.15 -0.20 0.00 0.47 0.00 0.00 55.06 56.46 1mm5 s HIS 23 Cb 0.00 0.10 -0.00 0.00 -0.13 0.00 0.00 32.58 32.55 1mm5 s HIS 23 CO 0.03 -0.48 0.64 0.71 -2.47 0.00 0.00 174.74 173.17 1mm5 s TYR 24 N 2.52 3.17 0.08 3.88 2.02 -1.03 -4.52 117.35 123.47 1mm5 s TYR 24 Ca 0.02 0.44 0.08 0.00 -0.37 0.00 0.00 57.07 57.24 1mm5 s TYR 24 Cb -0.13 -3.09 -0.03 0.00 -0.40 0.00 0.00 41.96 38.31 1mm5 s TYR 24 CO -0.12 -0.58 -0.22 0.34 -1.57 0.00 0.00 175.55 173.41 1mm5 s ASP 25 N 1.74 2.62 -0.18 2.29 3.68 -0.99 -1.97 116.67 123.86 1mm5 s ASP 25 Ca 0.25 -0.64 -0.03 0.00 2.13 0.00 0.00 52.55 54.26 1mm5 s ASP 25 Cb -0.15 -0.17 -0.01 0.00 -1.45 0.00 0.00 42.92 41.14 1mm5 s ASP 25 CO 0.14 0.11 -0.07 -0.76 0.13 0.00 0.00 175.17 174.72 1mm5 s LEU 26 N -1.67 2.92 -0.29 -1.34 1.02 -1.06 -0.43 118.68 117.82 1mm5 s LEU 26 Ca 0.08 -0.32 -0.11 0.00 0.02 0.00 0.00 54.13 53.80 1mm5 s LEU 26 Cb -0.10 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1mm5 s LEU 26 CO 0.04 0.07 0.18 -0.47 0.02 0.00 0.00 176.35 176.18 1mm5 s TYR 27 N 0.94 3.20 -0.05 0.29 5.04 -0.30 -2.58 117.35 123.90 1mm5 s TYR 27 Ca -0.01 -0.08 -0.03 0.00 -2.44 0.00 0.00 57.07 54.51 1mm5 s TYR 27 Cb -0.15 -2.38 0.02 0.00 0.35 0.00 0.00 41.96 39.81 1mm5 s TYR 27 CO 0.00 -0.25 0.11 0.42 -1.34 0.00 0.00 175.55 174.49 1mm5 s ILE 28 N 1.72 -0.02 0.57 3.14 1.09 -1.07 -2.52 121.20 124.11 1mm5 s ILE 28 Ca 0.07 0.08 -0.19 0.00 -1.10 0.00 0.00 60.65 59.50 1mm5 s ILE 28 Cb -0.16 -0.18 -0.04 0.00 -1.06 0.00 0.00 42.46 41.02 1mm5 s ILE 28 CO 0.09 0.03 1.16 -2.16 -0.10 0.00 0.00 174.94 173.96 1mm5 s PRO 29 N 0.50 3.15 0.00 2.79 0.04 -1.26 -2.36 135.00 137.86 1mm5 s PRO 29 Ca -0.04 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1mm5 s PRO 29 Cb -0.05 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1mm5 s PRO 29 CO -0.02 -1.02 0.00 0.00 0.04 0.00 0.00 177.00 176.00 1mm5 n ALA 30 N -1.52 2.40 -2.53 8.56 0.00 -1.26 -4.83 120.51 121.33 1mm5 n ALA 30 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1mm5 n ALA 30 Cb 0.51 0.00 -0.12 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 -0.40 3.40 -0.20 0.00 -1.09 -1.23 -5.06 121.20 116.60 1mm5 s ILE 31 Ca 0.00 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 57.65 1mm5 s ILE 31 Cb 0.00 -2.37 0.06 0.00 -1.58 0.00 0.00 42.46 38.57 1mm5 s ILE 31 CO 0.00 0.57 0.51 0.42 -1.23 0.00 0.00 174.94 175.21 1mm5 s THR 32 N -0.80 -0.01 -0.01 2.92 -4.23 -1.26 -2.60 115.64 109.65 1mm5 s THR 32 Ca 0.12 0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.54 1mm5 s THR 32 Cb -0.11 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 1mm5 s THR 32 CO 0.02 0.02 0.37 0.26 -0.54 0.00 0.00 174.62 174.74 1mm5 s TRP 33 N 1.08 3.71 0.29 3.99 0.52 -1.24 -5.07 118.94 122.22 1mm5 s TRP 33 Ca -0.06 0.92 -0.13 0.00 0.02 0.00 0.00 56.10 56.84 1mm5 s TRP 33 Cb -0.06 -2.23 -0.08 0.00 -1.15 0.00 0.00 33.47 29.94 1mm5 s TRP 33 CO -0.10 0.66 0.67 -1.01 0.02 0.00 0.00 176.95 177.19 1mm5 s HIS 34 N -1.08 3.39 -0.27 -1.98 3.76 -1.26 -4.94 115.29 112.90 1mm5 s HIS 34 Ca 0.23 1.10 0.10 0.00 -0.15 0.00 0.00 55.06 56.34 1mm5 s HIS 34 Cb -0.16 -2.44 0.33 0.00 1.11 0.00 0.00 32.58 31.42 1mm5 s HIS 34 CO 0.12 0.15 1.41 0.00 -0.85 0.00 0.00 174.74 175.57 1mm5 n ALA 35 N -0.30 2.76 -0.01 -1.40 0.00 -1.26 -4.97 120.51 115.33 1mm5 n ALA 35 Ca 0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 53.44 52.54 1mm5 n ALA 35 Cb 0.53 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1mm5 n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mm5 n ARG 36 N -1.25 0.05 -1.99 0.00 1.74 -1.26 -5.01 116.66 108.94 1mm5 n ARG 36 Ca -0.18 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.71 1mm5 n ARG 36 Cb 0.83 -0.79 -0.05 0.00 -1.02 0.00 0.00 32.46 31.43 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 -2.87 -0.51 -3.00 -1.55 3.01 -1.26 -4.97 117.46 106.32 1mm5 n PHE 37 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1mm5 n PHE 37 Cb 0.54 -3.68 0.00 0.00 -0.01 0.00 0.00 39.48 36.33 1mm5 n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mm5 n ALA 38 N -0.30 0.00 -2.18 4.37 0.00 -1.26 -4.98 120.51 116.16 1mm5 n ALA 38 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.91 1mm5 n ALA 38 Cb 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 1mm5 n ALA 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1mm5 s TYR 39 N 1.00 2.08 0.12 0.00 2.02 -1.26 -4.93 117.35 116.38 1mm5 s TYR 39 Ca 0.00 0.10 -0.32 0.00 -0.37 0.00 0.00 57.07 56.48 1mm5 s TYR 39 Cb 0.00 -4.19 -0.11 0.00 -0.40 0.00 0.00 41.96 37.26 1mm5 s TYR 39 CO 0.00 -1.54 1.80 -0.25 -1.57 0.00 0.00 175.55 173.99 1mm5 n ASP 40 N 12.86 3.89 -2.68 2.29 9.92 -1.26 -3.97 116.55 137.61 1mm5 n ASP 40 Ca 0.43 1.01 -0.02 0.00 -0.53 0.00 0.00 54.79 55.67 1mm5 n ASP 40 Cb 0.47 -1.52 -0.01 0.00 -0.64 0.00 0.00 41.12 39.41 1mm5 n ASP 40 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1mm5 n LYS 41 N 5.26 -3.85 -1.42 -1.24 4.76 -1.26 -5.01 118.16 115.39 1mm5 n LYS 41 Ca 0.18 3.01 -0.04 0.00 -2.87 0.00 0.00 58.31 58.59 1mm5 n LYS 41 Cb 0.35 -5.32 -0.02 0.00 -1.84 0.00 0.00 35.03 28.21 1mm5 n LYS 41 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1mm5 n GLU 42 N 1.00 0.30 -0.08 1.97 2.13 -1.25 -4.93 120.64 119.77 1mm5 n GLU 42 Ca -0.13 -1.27 -0.10 0.00 0.66 0.00 0.00 57.16 56.33 1mm5 n GLU 42 Cb 0.19 0.34 -0.11 0.00 0.27 0.00 0.00 31.44 32.14 1mm5 n GLU 42 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1mm5 n LYS 43 N -0.22 1.10 -3.09 5.31 5.02 -1.26 -4.96 118.16 120.07 1mm5 n LYS 43 Ca -0.20 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.17 1mm5 n LYS 43 Cb 0.80 -1.39 -0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1mm5 n LYS 43 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mm5 s THR 44 N -2.38 -0.52 -0.47 -0.18 -4.23 -1.26 -5.02 115.64 101.57 1mm5 s THR 44 Ca -0.15 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1mm5 s THR 44 Cb 0.05 -0.37 0.57 0.00 1.34 0.00 0.00 72.50 74.09 1mm5 s THR 44 CO 0.56 0.00 1.90 0.47 -0.54 0.00 0.00 174.62 177.01 1mm5 n ASP 45 N 4.86 4.67 0.05 3.99 9.92 -1.26 -4.38 116.55 134.40 1mm5 n ASP 45 Ca 0.08 -3.54 0.00 0.00 -0.53 0.00 0.00 54.79 50.79 1mm5 n ASP 45 Cb 0.58 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1mm5 n ASP 45 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1mm5 n ARG 46 N -0.96 0.00 -3.26 -1.24 5.12 -1.26 -5.03 116.66 110.03 1mm5 n ARG 46 Ca 0.56 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 56.08 1mm5 n ARG 46 Cb 1.36 -0.29 -0.08 0.00 -1.16 0.00 0.00 32.46 32.29 1mm5 n ARG 46 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1mm5 s TYR 47 N -2.00 3.22 0.08 -1.55 2.02 -1.26 -5.06 117.35 112.80 1mm5 s TYR 47 Ca 0.00 0.41 0.08 0.00 -0.37 0.00 0.00 57.07 57.19 1mm5 s TYR 47 Cb 0.00 -2.80 -0.04 0.00 -0.40 0.00 0.00 41.96 38.73 1mm5 s TYR 47 CO 0.00 -0.39 -0.19 1.21 -1.57 0.00 0.00 175.55 174.61 1mm5 s ASN 48 N 1.66 3.81 0.35 2.29 2.47 -1.26 -4.93 114.94 119.32 1mm5 s ASN 48 Ca 0.19 -0.50 0.07 0.00 0.42 0.00 0.00 52.86 53.05 1mm5 s ASN 48 Cb -0.16 -0.56 -0.02 0.00 -1.45 0.00 0.00 41.25 39.06 1mm5 s ASN 48 CO 0.11 0.22 0.37 -1.61 -3.72 0.00 0.00 177.10 172.47 1mm5 s GLU 49 N -1.76 2.81 0.16 0.43 0.41 -1.26 -5.09 118.70 114.40 1mm5 s GLU 49 Ca 0.16 -1.25 -0.30 0.00 -0.41 0.00 0.00 54.97 53.17 1mm5 s GLU 49 Cb -0.10 -2.57 -0.07 0.00 -1.78 0.00 0.00 34.13 29.60 1mm5 s GLU 49 CO 0.07 0.03 0.97 1.03 -0.49 0.00 0.00 175.26 176.87 1mm5 s ARG 50 N -4.08 4.74 -0.11 1.61 3.00 -1.26 -4.97 118.95 117.88 1mm5 s ARG 50 Ca 0.44 1.49 -0.35 0.00 0.00 0.00 0.00 55.73 57.30 1mm5 s ARG 50 Cb -0.07 -3.34 -0.13 0.00 0.00 0.00 0.00 34.95 31.42 1mm5 s ARG 50 CO 0.28 0.30 1.84 -2.30 0.00 0.00 0.00 175.30 175.43 1mm5 n PRO 51 N 2.33 1.99 -1.35 3.54 -0.02 -1.26 -4.77 135.00 135.46 1mm5 n PRO 51 Ca 0.01 0.73 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 1mm5 n PRO 51 Cb 0.48 -2.54 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 1mm5 n PRO 51 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1mm5 n TRP 52 N 6.27 -0.47 -3.32 6.00 -0.00 -1.26 -5.14 117.44 119.51 1mm5 n TRP 52 Ca 0.23 -0.54 -0.38 0.00 -0.00 0.00 0.00 57.50 56.81 1mm5 n TRP 52 Cb 0.26 0.69 -0.06 0.00 -0.00 0.00 0.00 31.31 32.20 1mm5 n TRP 52 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1mm5 s GLY 53 N -0.56 2.60 0.00 5.87 0.00 -1.26 -4.86 107.32 109.10 1mm5 s GLY 53 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1mm5 s GLY 53 CO -0.03 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.02 1mm5 n GLY 54 N 1.51 0.85 0.00 0.20 0.00 -1.07 -4.95 105.19 101.74 1mm5 n GLY 54 Ca -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.54 2.11 3.44 -0.02 0.00 -1.05 -2.11 105.19 107.02 1mm5 n GLY 55 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.44 1.78 0.21 1.61 0.08 0.04 -1.14 117.98 119.11 1mm5 s PHE 56 Ca 0.00 -1.19 -0.00 0.00 0.12 0.00 0.00 56.93 55.86 1mm5 s PHE 56 Cb 0.00 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1mm5 s PHE 56 CO 0.00 -0.25 0.11 0.20 -0.10 0.00 0.00 175.22 175.19 1mm5 s GLY 57 N -3.50 1.47 0.05 4.36 0.00 0.42 -1.15 107.32 108.98 1mm5 s GLY 57 Ca 0.31 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 43.17 1mm5 s GLY 57 CO 0.15 -1.44 0.33 -2.27 0.00 0.00 0.00 173.10 169.87 1mm5 s LEU 58 N -3.19 0.76 0.09 0.66 0.20 -0.96 -2.36 118.68 113.89 1mm5 s LEU 58 Ca 0.37 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 55.02 1mm5 s LEU 58 Cb 0.07 1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 47.26 1mm5 s LEU 58 CO 0.11 -0.66 -0.06 -0.55 -0.29 0.00 0.00 176.35 174.91 1mm5 s SER 59 N -2.17 1.00 0.06 3.68 0.15 -1.26 -0.43 113.70 114.73 1mm5 s SER 59 Ca -0.04 -1.01 -0.03 0.00 0.70 0.00 0.00 55.95 55.58 1mm5 s SER 59 Cb -0.00 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1mm5 s SER 59 CO -0.04 -0.49 0.02 -0.13 1.20 0.00 0.00 173.24 173.79 1mm5 s ARG 60 N -3.85 0.64 -0.12 5.44 0.52 0.42 -4.73 118.95 117.27 1mm5 s ARG 60 Ca 0.11 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.23 1mm5 s ARG 60 Cb 0.06 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.77 1mm5 s ARG 60 CO -0.06 -0.14 -0.20 1.67 0.02 0.00 0.00 175.30 176.59 1mm5 s TRP 61 N -3.73 2.44 -0.06 -0.53 1.48 -1.26 -0.97 118.94 116.30 1mm5 s TRP 61 Ca 0.05 -1.17 -0.10 0.00 -1.06 0.00 0.00 56.10 53.81 1mm5 s TRP 61 Cb 0.06 -1.68 -0.05 0.00 -1.16 0.00 0.00 33.47 30.65 1mm5 s TRP 61 CO -0.10 -0.54 0.26 -0.51 -4.06 0.00 0.00 176.95 172.00 1mm5 s ASP 62 N 0.79 6.57 0.55 -2.66 -0.00 0.45 -4.97 116.67 117.40 1mm5 s ASP 62 Ca -0.09 0.68 0.37 0.00 -0.00 0.00 0.00 52.55 53.51 1mm5 s ASP 62 Cb -0.16 -2.15 2.00 0.00 -0.00 0.00 0.00 42.92 42.62 1mm5 s ASP 62 CO -0.00 0.36 2.13 -0.33 -0.00 0.00 0.00 175.17 177.33 1mm5 h GLU 63 N 4.79 0.00 -1.21 8.23 3.07 -1.99 -2.05 114.58 125.42 1mm5 h GLU 63 Ca -0.53 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 57.97 1mm5 h GLU 63 Cb 1.22 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.96 1mm5 h GLU 63 CO 0.60 0.00 0.46 1.17 -1.40 0.00 0.00 179.01 179.84 1mm5 n LYS 64 N -2.79 1.87 -3.57 2.33 0.00 -1.26 -4.83 118.16 109.91 1mm5 n LYS 64 Ca -0.02 -1.87 -0.22 0.00 0.00 0.00 0.00 58.31 56.20 1mm5 n LYS 64 Cb 0.06 -1.73 0.08 0.00 0.00 0.00 0.00 35.03 33.43 1mm5 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mm5 n GLY 65 N -0.20 -0.47 3.45 3.14 0.00 -0.79 -5.01 105.19 105.31 1mm5 n GLY 65 Ca 0.36 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 1mm5 n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm5 s ASN 66 N -3.74 3.30 -0.34 1.61 0.01 -1.08 -4.94 114.94 109.76 1mm5 s ASN 66 Ca 0.36 -1.06 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 1mm5 s ASN 66 Cb -0.16 -0.26 0.13 0.00 0.41 0.00 0.00 41.25 41.37 1mm5 s ASN 66 CO 0.74 -0.07 0.18 0.26 -1.51 0.00 0.00 177.10 176.70 1mm5 s TRP 67 N -2.67 0.87 0.51 2.20 0.51 -0.48 -0.41 118.94 119.47 1mm5 s TRP 67 Ca 0.28 -1.56 -0.21 0.00 -2.12 0.00 0.00 56.10 52.50 1mm5 s TRP 67 Cb -0.02 -1.10 -0.07 0.00 -0.81 0.00 0.00 33.47 31.47 1mm5 s TRP 67 CO 0.13 -0.83 1.14 -1.58 -0.51 0.00 0.00 176.95 175.30 1mm5 s HIS 68 N 1.27 2.77 -0.03 -1.98 2.46 -0.14 -1.89 115.29 117.74 1mm5 s HIS 68 Ca 0.15 1.54 -0.01 0.00 0.47 0.00 0.00 55.06 57.22 1mm5 s HIS 68 Cb -0.21 -3.31 0.03 0.00 -0.13 0.00 0.00 32.58 28.96 1mm5 s HIS 68 CO -0.10 -1.51 0.04 0.20 -2.47 0.00 0.00 174.74 170.90 1mm5 s GLY 69 N -1.63 0.20 0.12 1.59 0.00 -1.07 -0.43 107.32 106.10 1mm5 s GLY 69 Ca 0.69 0.20 0.06 0.00 0.00 0.00 0.00 44.72 45.67 1mm5 s GLY 69 CO 0.29 1.00 -0.04 -2.27 0.00 0.00 0.00 173.10 172.08 1mm5 s LEU 70 N 1.59 3.24 0.20 0.66 2.96 0.43 -2.59 118.68 125.17 1mm5 s LEU 70 Ca -0.02 -0.33 0.11 0.00 -0.22 0.00 0.00 54.13 53.67 1mm5 s LEU 70 Cb -0.13 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1mm5 s LEU 70 CO -0.03 0.15 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.63 1mm5 s TYR 71 N -1.38 2.17 -0.24 5.38 2.02 -1.07 -2.26 117.35 121.96 1mm5 s TYR 71 Ca 0.24 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1mm5 s TYR 71 Cb -0.11 -1.05 0.13 0.00 -0.40 0.00 0.00 41.96 40.53 1mm5 s TYR 71 CO 0.16 0.49 0.35 0.00 -1.57 0.00 0.00 175.55 174.99 1mm5 s ALA 72 N -1.94 -0.96 0.02 3.71 0.00 -0.30 -2.60 121.76 119.69 1mm5 s ALA 72 Ca 0.21 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.01 1mm5 s ALA 72 Cb -0.07 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1mm5 s ALA 72 CO 0.10 -1.25 -0.09 -1.64 0.00 0.00 0.00 175.76 172.88 1mm5 s MET 73 N 2.51 0.64 -0.01 0.00 -1.94 -1.08 -0.78 119.30 118.65 1mm5 s MET 73 Ca 0.12 -0.52 0.01 0.00 -1.71 0.00 0.00 55.69 53.58 1mm5 s MET 73 Cb -0.15 -0.57 0.01 0.00 2.01 0.00 0.00 34.83 36.12 1mm5 s MET 73 CO -0.15 0.14 -0.01 0.00 -0.01 0.00 0.00 175.02 174.99 1mm5 s ALA 74 N -0.69 0.20 -0.04 3.03 0.00 -0.90 -1.09 121.76 122.27 1mm5 s ALA 74 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1mm5 s ALA 74 Cb -0.06 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1mm5 s ALA 74 CO 0.00 0.01 0.03 0.12 0.00 0.00 0.00 175.76 175.92 1mm5 s PHE 75 N 0.28 0.22 -0.27 0.00 2.19 -1.07 -2.60 117.98 116.74 1mm5 s PHE 75 Ca -0.03 0.10 -0.12 0.00 0.33 0.00 0.00 56.93 57.21 1mm5 s PHE 75 Cb -0.05 -0.48 -0.05 0.00 -1.31 0.00 0.00 43.02 41.14 1mm5 s PHE 75 CO -0.01 -0.18 0.25 -1.59 1.83 0.00 0.00 175.22 175.52 1mm5 s LYS 76 N 1.67 4.00 0.00 10.12 -2.85 -1.26 -0.81 119.74 130.61 1mm5 s LYS 76 Ca -0.01 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1mm5 s LYS 76 Cb -0.13 -3.64 0.00 0.00 -2.06 0.00 0.00 37.83 32.01 1mm5 s LYS 76 CO -0.03 -0.17 0.00 -3.47 0.10 0.00 0.00 175.35 171.78 1mm5 n ASP 77 N 5.01 -0.78 0.02 0.03 2.03 -1.07 -4.98 116.55 116.80 1mm5 n ASP 77 Ca -0.12 -0.34 -0.12 0.00 0.52 0.00 0.00 54.79 54.72 1mm5 n ASP 77 Cb 0.52 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 1mm5 n ASP 77 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1mm5 h SER 78 N -0.78 0.16 0.00 1.67 0.02 -1.91 -3.43 113.55 109.28 1mm5 h SER 78 Ca 0.00 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.55 1mm5 h SER 78 Cb 0.00 -0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.37 1mm5 h SER 78 CO 0.00 1.24 -0.25 -2.67 -1.14 0.00 0.00 176.83 174.02 1mm5 n TRP 79 N -3.26 -0.19 0.00 3.45 4.27 -1.26 -5.01 117.44 115.44 1mm5 n TRP 79 Ca -0.16 -0.54 0.00 0.00 -3.89 0.00 0.00 57.50 52.91 1mm5 n TRP 79 Cb 1.03 0.57 0.00 0.00 -1.36 0.00 0.00 31.31 31.55 1mm5 n TRP 79 CO 0.00 0.00 0.00 0.09 -2.29 0.00 0.00 177.69 175.49 1mm5 n ASN 80 N -0.14 0.00 0.00 -0.67 3.02 -1.26 -5.16 115.26 111.04 1mm5 n ASN 80 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1mm5 n ASN 80 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1mm5 n ASN 80 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mm5 n LYS 81 N -1.27 -1.81 -3.24 3.52 5.02 -1.26 -5.01 118.16 114.11 1mm5 n LYS 81 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1mm5 n LYS 81 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1mm5 n LYS 81 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1mm5 s TRP 82 N -2.64 3.65 -0.52 2.13 0.52 -1.26 -2.61 118.94 118.20 1mm5 s TRP 82 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 56.10 57.14 1mm5 s TRP 82 Cb 0.00 -2.59 0.13 0.00 -1.15 0.00 0.00 33.47 29.87 1mm5 s TRP 82 CO 0.00 0.32 0.43 -1.21 0.02 0.00 0.00 176.95 176.51 1mm5 s GLU 83 N -0.04 2.71 0.65 4.98 2.02 0.01 -4.93 118.70 124.10 1mm5 s GLU 83 Ca 0.30 -1.84 -0.11 0.00 0.02 0.00 0.00 54.97 53.34 1mm5 s GLU 83 Cb -0.17 -4.07 -0.02 0.00 0.10 0.00 0.00 34.13 29.97 1mm5 s GLU 83 CO 0.16 -1.24 1.04 -1.25 0.02 0.00 0.00 175.26 173.99 1mm5 s PRO 84 N 1.28 3.35 -0.13 0.39 0.04 -1.26 -2.60 135.00 136.07 1mm5 s PRO 84 Ca 0.06 0.82 -0.09 0.00 0.04 0.00 0.00 61.00 61.83 1mm5 s PRO 84 Cb -0.26 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1mm5 s PRO 84 CO -0.00 -0.77 0.33 0.42 0.04 0.00 0.00 177.00 177.02 1mm5 s ILE 85 N -3.13 -0.02 -0.05 0.56 1.01 -0.25 -2.60 121.20 116.71 1mm5 s ILE 85 Ca 0.56 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 1mm5 s ILE 85 Cb -0.12 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.89 1mm5 s ILE 85 CO 0.54 0.03 0.04 0.00 0.00 0.00 0.00 174.94 175.55 1mm5 s ALA 86 N 0.90 0.43 0.18 9.38 0.00 -1.08 -2.63 121.76 128.94 1mm5 s ALA 86 Ca -0.06 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1mm5 s ALA 86 Cb -0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1mm5 s ALA 86 CO -0.07 -0.48 0.20 0.20 0.00 0.00 0.00 175.76 175.61 1mm5 s GLY 87 N 2.09 1.64 -0.28 0.00 0.00 -1.07 -0.71 107.32 108.98 1mm5 s GLY 87 Ca 0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 1mm5 s GLY 87 CO -0.04 -1.20 0.53 -2.52 0.00 0.00 0.00 173.10 169.87 1mm5 s TYR 88 N -1.82 -1.36 0.34 1.90 1.13 0.44 -2.60 117.35 115.38 1mm5 s TYR 88 Ca 0.32 1.44 -0.00 0.00 -1.41 0.00 0.00 57.07 57.42 1mm5 s TYR 88 Cb -0.10 0.40 -0.00 0.00 -1.10 0.00 0.00 41.96 41.15 1mm5 s TYR 88 CO 0.25 -0.83 0.43 0.20 -2.51 0.00 0.00 175.55 173.09 1mm5 s GLY 89 N 2.76 1.70 -0.15 5.49 0.00 -1.07 -2.04 107.32 114.02 1mm5 s GLY 89 Ca 0.18 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.26 1mm5 s GLY 89 CO -0.19 -1.11 -0.18 -0.98 0.00 0.00 0.00 173.10 170.64 1mm5 s TRP 90 N -3.12 2.41 0.28 1.90 0.52 -0.90 -2.59 118.94 117.43 1mm5 s TRP 90 Ca 0.33 -1.31 0.04 0.00 0.02 0.00 0.00 56.10 55.18 1mm5 s TRP 90 Cb 0.00 -1.70 -0.06 0.00 -1.15 0.00 0.00 33.47 30.56 1mm5 s TRP 90 CO 0.22 -0.66 0.03 -1.21 0.02 0.00 0.00 176.95 175.35 1mm5 s GLU 91 N 1.19 1.51 -0.19 4.98 2.02 -0.79 -2.37 118.70 125.05 1mm5 s GLU 91 Ca 0.00 -1.80 0.01 0.00 0.02 0.00 0.00 54.97 53.20 1mm5 s GLU 91 Cb -0.14 -0.76 0.04 0.00 0.10 0.00 0.00 34.13 33.37 1mm5 s GLU 91 CO -0.08 -0.14 -0.13 0.45 0.02 0.00 0.00 175.26 175.39 1mm5 s SER 92 N -3.40 3.30 -0.14 -0.19 0.15 -0.11 -1.38 113.70 111.93 1mm5 s SER 92 Ca 0.33 -0.82 -0.19 0.00 0.70 0.00 0.00 55.95 55.97 1mm5 s SER 92 Cb 0.07 -1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1mm5 s SER 92 CO 0.13 -0.11 0.54 -0.89 1.20 0.00 0.00 173.24 174.11 1mm5 s THR 93 N 1.37 5.13 -0.08 6.45 2.01 -1.26 -2.60 115.64 126.66 1mm5 s THR 93 Ca 0.00 1.05 0.03 0.00 0.31 0.00 0.00 61.69 63.08 1mm5 s THR 93 Cb -0.15 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1mm5 s THR 93 CO -0.09 0.25 -0.16 0.86 -0.69 0.00 0.00 174.62 174.79 1mm5 s TRP 94 N 1.09 1.82 -0.20 4.92 -0.00 -0.20 -5.01 118.94 121.36 1mm5 s TRP 94 Ca 0.27 -0.71 -0.07 0.00 -0.00 0.00 0.00 56.10 55.60 1mm5 s TRP 94 Cb -0.16 -1.28 -0.03 0.00 -0.00 0.00 0.00 33.47 32.00 1mm5 s TRP 94 CO 0.11 -0.33 0.05 1.03 -0.00 0.00 0.00 176.95 177.81 1mm5 s ARG 95 N 0.57 3.79 1.18 5.86 0.52 -1.26 -2.59 118.95 127.02 1mm5 s ARG 95 Ca -0.16 -0.43 -0.17 0.00 -0.52 0.00 0.00 55.73 54.45 1mm5 s ARG 95 Cb -0.16 -3.20 0.24 0.00 0.52 0.00 0.00 34.95 32.35 1mm5 s ARG 95 CO 0.05 0.08 0.51 -2.30 0.02 0.00 0.00 175.30 173.67 1mm5 n PRO 96 N 4.09 -3.05 -0.06 3.54 -0.02 -1.26 -5.00 135.00 133.23 1mm5 n PRO 96 Ca -0.17 -0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 60.34 1mm5 n PRO 96 Cb 0.52 -1.69 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 1mm5 n PRO 96 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mm5 n LEU 97 N -3.01 2.86 -0.09 2.45 4.32 -1.26 -4.63 117.00 117.64 1mm5 n LEU 97 Ca 0.07 -0.06 -0.12 0.00 -0.02 0.00 0.00 56.01 55.88 1mm5 n LEU 97 Cb 0.47 -0.38 -0.05 0.00 -1.62 0.00 0.00 43.42 41.85 1mm5 n LEU 97 CO 0.35 0.68 0.66 0.00 -1.22 0.00 0.00 177.39 177.85 1mm5 h ALA 98 N 0.02 0.35 -3.06 -1.18 0.00 -2.04 -3.44 119.26 109.92 1mm5 h ALA 98 Ca -0.26 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.08 1mm5 h ALA 98 Cb 1.41 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.78 1mm5 h ALA 98 CO -0.04 0.22 -0.60 -0.51 0.00 0.00 0.00 179.25 178.32 1mm5 s ASP 99 N -6.21 0.45 -0.58 0.00 1.11 -1.26 -5.03 116.67 105.15 1mm5 s ASP 99 Ca -0.13 0.40 -0.02 0.00 0.18 0.00 0.00 52.55 52.98 1mm5 s ASP 99 Cb 0.07 0.36 0.35 0.00 1.07 0.00 0.00 42.92 44.77 1mm5 s ASP 99 CO 0.78 -0.22 2.08 -0.62 1.18 0.00 0.00 175.17 178.37 1mm5 n GLU 100 N 5.07 2.43 -0.05 8.23 1.02 -1.26 -4.32 120.64 131.75 1mm5 n GLU 100 Ca -0.10 -2.76 -0.11 0.00 -0.02 0.00 0.00 57.16 54.17 1mm5 n GLU 100 Cb 0.50 -2.09 -0.15 0.00 -0.02 0.00 0.00 31.44 29.69 1mm5 n GLU 100 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1mm5 n ASN 101 N -0.39 0.74 -4.53 1.62 5.15 -1.26 -4.90 115.26 111.68 1mm5 n ASN 101 Ca 0.52 0.23 -0.33 0.00 -0.60 0.00 0.00 54.58 54.39 1mm5 n ASN 101 Cb 0.58 0.21 -0.12 0.00 -0.53 0.00 0.00 39.78 39.93 1mm5 n ASN 101 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1mm5 s PHE 102 N -2.55 2.80 0.07 1.20 -0.71 -1.26 0.27 117.98 117.80 1mm5 s PHE 102 Ca -0.10 -0.08 0.05 0.00 -1.04 0.00 0.00 56.93 55.76 1mm5 s PHE 102 Cb 0.07 -1.65 -0.04 0.00 -1.21 0.00 0.00 43.02 40.20 1mm5 s PHE 102 CO 0.81 0.27 -0.03 -1.01 -1.34 0.00 0.00 175.22 173.92 1mm5 s HIS 103 N -0.81 2.93 0.04 3.49 3.76 -1.07 -4.46 115.29 119.18 1mm5 s HIS 103 Ca 0.13 -0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.07 1mm5 s HIS 103 Cb -0.11 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 32.02 1mm5 s HIS 103 CO 0.02 0.45 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.63 1mm5 s LEU 104 N -2.07 2.15 -0.09 0.89 1.43 -1.07 -2.61 118.68 117.31 1mm5 s LEU 104 Ca 0.23 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1mm5 s LEU 104 Cb -0.11 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1mm5 s LEU 104 CO 0.15 0.19 0.26 -0.83 0.23 0.00 0.00 176.35 176.35 1mm5 s GLY 105 N -1.10 -0.19 -0.06 -3.19 0.00 0.45 -1.03 107.32 102.20 1mm5 s GLY 105 Ca 0.08 0.70 -0.03 0.00 0.00 0.00 0.00 44.72 45.46 1mm5 s GLY 105 CO 0.01 0.59 0.13 -2.27 0.00 0.00 0.00 173.10 171.56 1mm5 s LEU 106 N 0.01 1.09 0.00 0.66 1.98 -1.07 -2.46 118.68 118.90 1mm5 s LEU 106 Ca -0.01 0.27 0.00 0.00 -2.89 0.00 0.00 54.13 51.50 1mm5 s LEU 106 Cb -0.02 0.38 0.00 0.00 0.66 0.00 0.00 46.19 47.21 1mm5 s LEU 106 CO 0.01 -0.10 0.00 0.61 -1.89 0.00 0.00 176.35 174.98 1mm5 n GLY 107 N 3.67 -1.75 3.88 7.98 0.00 -1.07 -0.93 105.19 116.97 1mm5 n GLY 107 Ca -0.20 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 1mm5 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm5 s PHE 108 N -2.56 3.29 -0.11 1.61 0.08 -1.00 -1.67 117.98 117.62 1mm5 s PHE 108 Ca 0.00 -0.01 -0.02 0.00 0.12 0.00 0.00 56.93 57.02 1mm5 s PHE 108 Cb 0.00 -1.53 0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1mm5 s PHE 108 CO 0.00 0.50 0.01 0.95 -0.10 0.00 0.00 175.22 176.58 1mm5 s THR 109 N -1.90 0.44 -0.23 0.64 -4.23 -0.69 -2.13 115.64 107.54 1mm5 s THR 109 Ca 0.33 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1mm5 s THR 109 Cb -0.09 -0.69 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1mm5 s THR 109 CO 0.26 0.13 -0.14 0.00 -0.54 0.00 0.00 174.62 174.33 1mm5 s ALA 110 N 1.93 2.48 0.10 3.99 0.00 -0.86 -2.21 121.76 127.18 1mm5 s ALA 110 Ca 0.03 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.45 1mm5 s ALA 110 Cb -0.14 -1.44 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 1mm5 s ALA 110 CO -0.06 -0.86 0.03 0.41 0.00 0.00 0.00 175.76 175.28 1mm5 n GLY 111 N 4.51 3.91 2.96 0.00 0.00 -0.63 -0.42 105.19 115.52 1mm5 n GLY 111 Ca -0.17 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.89 1.07 -0.19 1.61 -7.23 0.11 -0.41 120.40 113.47 1mm5 s VAL 112 Ca 0.05 -0.38 -0.05 0.00 -1.81 0.00 0.00 61.98 59.79 1mm5 s VAL 112 Cb 0.00 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 1mm5 s VAL 112 CO 0.03 0.36 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.28 1mm5 s THR 113 N 1.16 3.91 -0.31 5.32 2.01 -1.07 -2.62 115.64 124.03 1mm5 s THR 113 Ca -0.05 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1mm5 s THR 113 Cb -0.14 -2.75 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 1mm5 s THR 113 CO -0.02 0.45 0.69 0.00 -0.69 0.00 0.00 174.62 175.04 1mm5 s ALA 114 N 0.83 3.52 0.24 7.40 0.00 -1.07 -0.62 121.76 132.05 1mm5 s ALA 114 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 1mm5 s ALA 114 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1mm5 s ALA 114 CO 0.02 -1.15 0.38 -0.98 0.00 0.00 0.00 175.76 174.02 1mm5 s ARG 115 N 2.75 1.48 -0.23 0.00 1.70 -1.26 -4.63 118.95 118.75 1mm5 s ARG 115 Ca 0.28 -1.40 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 1mm5 s ARG 115 Cb -0.15 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.64 1mm5 s ARG 115 CO 0.12 -0.58 1.29 0.34 -1.08 0.00 0.00 175.30 175.39 1mm5 s ASP 116 N -3.08 6.79 0.16 -2.89 3.68 -1.26 -4.34 116.67 115.73 1mm5 s ASP 116 Ca 0.28 1.45 0.00 0.00 2.13 0.00 0.00 52.55 56.41 1mm5 s ASP 116 Cb 0.02 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1mm5 s ASP 116 CO 0.11 -0.93 0.00 0.59 0.13 0.00 0.00 175.17 175.07 1mm5 n ASN 117 N 7.17 0.56 0.00 -0.34 4.13 -1.26 -5.04 115.26 120.48 1mm5 n ASN 117 Ca 0.14 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.65 1mm5 n ASN 117 Cb 0.46 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 1mm5 n ASN 117 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1mm5 n TRP 118 N -3.39 -1.61 -2.43 3.10 5.03 -1.26 -4.96 117.44 111.91 1mm5 n TRP 118 Ca 0.00 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.48 1mm5 n TRP 118 Cb 0.00 0.45 0.05 0.00 -1.03 0.00 0.00 31.31 30.79 1mm5 n TRP 118 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 1mm5 n ASN 119 N -2.41 2.31 -3.40 -0.99 5.15 -1.26 -4.96 115.26 109.70 1mm5 n ASN 119 Ca 0.00 -2.65 -0.23 0.00 -0.60 0.00 0.00 54.58 51.09 1mm5 n ASN 119 Cb 0.00 -0.42 0.07 0.00 -0.53 0.00 0.00 39.78 38.90 1mm5 n ASN 119 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1mm5 n TYR 120 N -0.47 -2.62 -3.47 1.20 4.01 -1.26 -4.97 117.16 109.59 1mm5 n TYR 120 Ca 0.17 0.87 -0.43 0.00 -0.16 0.00 0.00 57.90 58.36 1mm5 n TYR 120 Cb 0.90 -4.86 -0.08 0.00 -0.31 0.00 0.00 39.34 34.99 1mm5 n TYR 120 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mm5 s ILE 121 N -3.28 4.79 1.00 -0.72 -1.09 -1.26 -4.91 121.20 115.73 1mm5 s ILE 121 Ca 0.51 -1.27 -0.16 0.00 -2.23 0.00 0.00 60.65 57.49 1mm5 s ILE 121 Cb -0.22 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1mm5 s ILE 121 CO 0.63 -0.59 -0.06 -2.65 -1.23 0.00 0.00 174.94 171.03 1mm5 n PRO 122 N 5.08 -0.52 -4.05 2.79 -0.02 -1.26 -4.75 135.00 132.27 1mm5 n PRO 122 Ca -0.11 -0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 60.95 1mm5 n PRO 122 Cb 0.43 -1.59 -0.17 0.00 -0.02 0.00 0.00 33.50 32.15 1mm5 n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1mm5 s LEU 123 N 1.26 1.55 0.99 2.45 0.05 0.20 -4.91 118.68 120.26 1mm5 s LEU 123 Ca 0.52 -0.42 -0.11 0.00 0.05 0.00 0.00 54.13 54.16 1mm5 s LEU 123 Cb -0.16 -1.07 0.16 0.00 -2.05 0.00 0.00 46.19 43.07 1mm5 s LEU 123 CO 0.70 -0.06 0.95 -2.65 -0.55 0.00 0.00 176.35 174.74 1mm5 n PRO 124 N 4.74 -0.94 -3.55 1.48 -0.02 -1.26 -2.61 135.00 132.83 1mm5 n PRO 124 Ca -0.16 -0.22 -0.11 0.00 -2.02 0.00 0.00 63.50 60.99 1mm5 n PRO 124 Cb 0.50 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1mm5 n PRO 124 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mm5 s VAL 125 N -2.53 -0.55 -0.24 -1.45 1.01 0.45 -4.85 120.40 112.24 1mm5 s VAL 125 Ca 0.65 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1mm5 s VAL 125 Cb -0.23 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1mm5 s VAL 125 CO 0.61 -0.00 -0.10 -0.22 0.00 0.00 0.00 175.10 175.39 1mm5 s LEU 126 N 2.52 3.05 0.10 3.92 0.20 -1.26 -1.61 118.68 125.60 1mm5 s LEU 126 Ca 0.04 -0.97 -0.12 0.00 0.69 0.00 0.00 54.13 53.77 1mm5 s LEU 126 Cb -0.13 -1.60 0.02 0.00 -0.43 0.00 0.00 46.19 44.05 1mm5 s LEU 126 CO -0.13 -0.12 0.29 -1.48 -0.29 0.00 0.00 176.35 174.62 1mm5 s LEU 127 N 1.26 0.94 0.38 -0.68 2.34 -0.94 -5.00 118.68 116.98 1mm5 s LEU 127 Ca -0.01 -0.45 -0.26 0.00 0.06 0.00 0.00 54.13 53.46 1mm5 s LEU 127 Cb -0.17 1.40 -0.09 0.00 -0.56 0.00 0.00 46.19 46.77 1mm5 s LEU 127 CO -0.06 -0.76 1.22 -2.84 -1.06 0.00 0.00 176.35 172.85 1mm5 s PRO 128 N -3.64 4.12 0.03 1.48 0.02 -1.26 -1.70 135.00 134.05 1mm5 s PRO 128 Ca 0.03 1.99 -0.14 0.00 0.02 0.00 0.00 61.00 62.89 1mm5 s PRO 128 Cb 0.03 -2.80 0.02 0.00 0.02 0.00 0.00 34.50 31.77 1mm5 s PRO 128 CO -0.10 -0.31 0.31 -1.17 -0.33 0.00 0.00 177.00 175.40 1mm5 s LEU 129 N -2.28 0.86 -0.00 -5.54 0.20 -0.67 -2.59 118.68 108.66 1mm5 s LEU 129 Ca 0.55 -0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.24 1mm5 s LEU 129 Cb -0.34 1.35 0.00 0.00 -0.43 0.00 0.00 46.19 46.76 1mm5 s LEU 129 CO 0.44 -0.58 -0.00 0.00 -0.29 0.00 0.00 176.35 175.92 1mm5 s ALA 130 N -2.28 0.01 -0.28 5.97 0.00 -0.13 -2.59 121.76 122.46 1mm5 s ALA 130 Ca -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1mm5 s ALA 130 Cb -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1mm5 s ALA 130 CO -0.02 0.00 0.01 -1.54 0.00 0.00 0.00 175.76 174.22 1mm5 s SER 131 N 0.00 4.76 -0.02 0.00 1.04 -1.03 -1.21 113.70 117.24 1mm5 s SER 131 Ca -0.00 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 1mm5 s SER 131 Cb -0.00 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1mm5 s SER 131 CO -0.00 -0.18 0.05 0.68 0.98 0.00 0.00 173.24 174.77 1mm5 s VAL 132 N 1.38 -0.00 0.00 5.02 -7.23 -0.40 -0.41 120.40 118.77 1mm5 s VAL 132 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1mm5 s VAL 132 Cb -0.17 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.69 1mm5 s VAL 132 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1mm5 n GLY 133 N 3.06 2.12 2.70 2.32 0.00 -1.07 -0.42 105.19 113.90 1mm5 n GLY 133 Ca -0.12 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1mm5 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mm5 s TYR 134 N -1.51 -0.05 0.00 1.61 1.51 0.50 -2.60 117.35 116.81 1mm5 s TYR 134 Ca 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1mm5 s TYR 134 Cb 0.00 -0.49 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 1mm5 s TYR 134 CO 0.00 -0.50 0.00 0.41 -1.11 0.00 0.00 175.55 174.35 1mm5 n GLY 135 N 5.30 3.28 0.20 0.71 0.00 0.14 -2.61 105.19 112.21 1mm5 n GLY 135 Ca -0.06 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 13.11 1.23 -3.79 1.61 -0.04 -1.26 -4.74 135.00 141.12 1mm5 n PRO 136 Ca 0.00 -0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 62.69 1mm5 n PRO 136 Cb 0.00 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 1mm5 n PRO 136 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mm5 s VAL 137 N -2.05 3.68 -0.05 0.52 -7.23 -1.07 -1.04 120.40 113.16 1mm5 s VAL 137 Ca 0.42 -0.98 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 1mm5 s VAL 137 Cb 0.21 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1mm5 s VAL 137 CO 0.37 -0.03 -0.23 0.28 -0.31 0.00 0.00 175.10 175.18 1mm5 s THR 138 N 1.42 2.30 -0.08 5.32 -1.32 -0.79 -0.37 115.64 122.12 1mm5 s THR 138 Ca -0.00 -0.99 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1mm5 s THR 138 Cb -0.18 -1.84 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 1mm5 s THR 138 CO 0.02 0.57 -0.14 -0.36 -2.21 0.00 0.00 174.62 172.50 1mm5 s PHE 139 N -0.38 2.74 -0.15 9.09 0.40 0.44 -1.03 117.98 129.10 1mm5 s PHE 139 Ca 0.03 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.95 1mm5 s PHE 139 Cb -0.12 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 1mm5 s PHE 139 CO 0.02 0.03 0.06 -0.65 0.70 0.00 0.00 175.22 175.37 1mm5 s GLN 140 N -0.30 3.62 -0.07 0.44 1.11 -1.07 -1.27 119.66 122.12 1mm5 s GLN 140 Ca 0.02 -0.33 0.03 0.00 0.01 0.00 0.00 55.36 55.09 1mm5 s GLN 140 Cb -0.13 -3.09 0.01 0.00 -1.01 0.00 0.00 33.01 28.79 1mm5 s GLN 140 CO 0.03 0.47 -0.14 1.41 0.01 0.00 0.00 175.29 177.06 1mm5 s MET 141 N -0.19 1.95 -0.00 2.91 1.75 -0.35 -1.45 119.30 123.91 1mm5 s MET 141 Ca 0.07 -0.50 0.06 0.00 -1.25 0.00 0.00 55.69 54.08 1mm5 s MET 141 Cb -0.12 -1.57 -0.03 0.00 2.84 0.00 0.00 34.83 35.95 1mm5 s MET 141 CO 0.01 0.05 -0.20 0.95 -0.65 0.00 0.00 175.02 175.19 1mm5 s THR 142 N 0.61 2.59 -0.19 10.11 -4.23 -0.52 -0.96 115.64 123.06 1mm5 s THR 142 Ca -0.15 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1mm5 s THR 142 Cb -0.16 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.71 1mm5 s THR 142 CO 0.05 0.49 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.19 1mm5 s TYR 143 N -0.76 2.45 -0.69 3.99 1.51 -1.07 -2.59 117.35 120.19 1mm5 s TYR 143 Ca 0.12 -1.57 -0.12 0.00 -1.01 0.00 0.00 57.07 54.49 1mm5 s TYR 143 Cb -0.10 -1.67 0.18 0.00 -0.11 0.00 0.00 41.96 40.25 1mm5 s TYR 143 CO 0.02 -0.74 0.61 0.42 -1.11 0.00 0.00 175.55 174.74 1mm5 s ILE 144 N 1.39 5.09 0.31 2.71 1.09 -1.07 -4.18 121.20 126.55 1mm5 s ILE 144 Ca 0.00 -2.22 -0.29 0.00 -1.10 0.00 0.00 60.65 57.04 1mm5 s ILE 144 Cb -0.15 -4.21 -0.10 0.00 -1.06 0.00 0.00 42.46 36.93 1mm5 s ILE 144 CO -0.09 -0.94 1.26 -2.16 -0.10 0.00 0.00 174.94 172.91 1mm5 s PRO 145 N 0.62 4.42 -0.41 2.79 0.04 -1.26 -0.43 135.00 140.77 1mm5 s PRO 145 Ca 0.13 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1mm5 s PRO 145 Cb -0.18 -3.10 0.19 0.00 0.04 0.00 0.00 34.50 31.44 1mm5 s PRO 145 CO -0.04 -0.10 0.78 0.20 0.04 0.00 0.00 177.00 177.88 1mm5 s GLY 146 N -0.54 -1.38 -1.41 0.56 0.00 -1.26 -4.77 107.32 98.52 1mm5 s GLY 146 Ca 0.48 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 45.49 1mm5 s GLY 146 CO 0.50 3.86 0.62 2.41 0.00 0.00 0.00 173.10 180.49 1mm5 n THR 147 N 3.79 -1.96 -4.16 0.90 -1.04 -1.26 -4.77 114.28 105.78 1mm5 n THR 147 Ca 0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.01 1mm5 n THR 147 Cb 0.59 -3.35 -0.09 0.00 -1.82 0.00 0.00 70.33 65.66 1mm5 n THR 147 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1mm5 s TYR 148 N -3.15 1.00 -0.24 -1.42 2.02 -1.26 -5.08 117.35 109.22 1mm5 s TYR 148 Ca 0.31 -1.24 -0.06 0.00 -0.37 0.00 0.00 57.07 55.71 1mm5 s TYR 148 Cb -0.14 -0.39 -0.18 0.00 -0.40 0.00 0.00 41.96 40.86 1mm5 s TYR 148 CO 0.38 -0.74 -0.12 0.09 -1.57 0.00 0.00 175.55 173.60 1mm5 n ASN 149 N -0.36 1.99 -1.99 2.29 4.13 -1.26 -4.37 115.26 115.69 1mm5 n ASN 149 Ca 0.01 0.09 -0.13 0.00 1.68 0.00 0.00 54.58 56.24 1mm5 n ASN 149 Cb 0.65 -0.64 0.22 0.00 -1.54 0.00 0.00 39.78 38.47 1mm5 n ASN 149 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mm5 n ASN 150 N -3.66 4.14 0.00 6.41 3.02 -1.26 -5.04 115.26 118.88 1mm5 n ASN 150 Ca -0.45 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 50.85 1mm5 n ASN 150 Cb 0.95 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1mm5 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mm5 n GLY 151 N -0.51 -1.30 0.08 7.41 0.00 -1.26 -4.89 105.19 104.71 1mm5 n GLY 151 Ca 0.45 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.69 1.78 -4.23 1.61 5.15 0.42 -4.75 115.26 113.55 1mm5 n ASN 152 Ca 0.00 0.44 -0.14 0.00 -0.60 0.00 0.00 54.58 54.28 1mm5 n ASN 152 Cb 0.00 -0.78 -0.10 0.00 -0.53 0.00 0.00 39.78 38.37 1mm5 n ASN 152 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1mm5 s VAL 153 N -2.54 1.08 0.07 3.44 -7.23 -1.20 -5.01 120.40 109.01 1mm5 s VAL 153 Ca -0.22 -2.02 0.09 0.00 -1.81 0.00 0.00 61.98 58.02 1mm5 s VAL 153 Cb 0.03 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1mm5 s VAL 153 CO 0.32 -0.75 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.81 1mm5 s TYR 154 N -3.31 2.03 -0.06 2.82 2.02 -1.26 -2.59 117.35 117.00 1mm5 s TYR 154 Ca 0.15 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1mm5 s TYR 154 Cb 0.03 -1.17 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1mm5 s TYR 154 CO -0.00 0.17 0.02 -0.06 -1.57 0.00 0.00 175.55 174.11 1mm5 s PHE 155 N -0.93 0.43 0.11 2.71 0.08 -1.07 -3.73 117.98 115.58 1mm5 s PHE 155 Ca 0.10 -0.01 0.06 0.00 0.12 0.00 0.00 56.93 57.20 1mm5 s PHE 155 Cb -0.10 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1mm5 s PHE 155 CO 0.03 -0.26 -0.04 0.00 -0.10 0.00 0.00 175.22 174.86 1mm5 s ALA 156 N 1.91 3.16 0.24 5.36 0.00 -1.07 -1.43 121.76 129.92 1mm5 s ALA 156 Ca 0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 1mm5 s ALA 156 Cb -0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1mm5 s ALA 156 CO -0.04 0.66 0.30 -1.58 0.00 0.00 0.00 175.76 175.09 1mm5 s TRP 157 N -1.32 0.90 -0.06 0.00 0.51 -0.53 -3.58 118.94 114.86 1mm5 s TRP 157 Ca 0.24 -1.15 0.05 0.00 -2.12 0.00 0.00 56.10 53.12 1mm5 s TRP 157 Cb -0.11 -0.25 -0.00 0.00 -0.81 0.00 0.00 33.47 32.29 1mm5 s TRP 157 CO 0.17 -0.83 -0.20 -1.64 -0.51 0.00 0.00 176.95 173.94 1mm5 s MET 158 N -3.96 2.21 -0.07 4.98 -1.94 -1.00 -2.58 119.30 116.94 1mm5 s MET 158 Ca 0.32 -0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 53.57 1mm5 s MET 158 Cb 0.03 -1.84 0.03 0.00 2.01 0.00 0.00 34.83 35.05 1mm5 s MET 158 CO 0.13 0.26 -0.03 1.03 -0.01 0.00 0.00 175.02 176.40 1mm5 s ARG 159 N 0.07 0.86 -0.19 2.03 0.52 -0.20 -2.59 118.95 119.46 1mm5 s ARG 159 Ca -0.07 -0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 54.95 1mm5 s ARG 159 Cb -0.14 -1.07 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 1mm5 s ARG 159 CO 0.04 -0.24 0.45 -0.06 0.02 0.00 0.00 175.30 175.51 1mm5 s PHE 160 N 1.64 3.39 -0.23 -0.53 0.40 -1.07 -1.88 117.98 119.71 1mm5 s PHE 160 Ca 0.01 0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 56.89 1mm5 s PHE 160 Cb -0.13 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.78 1mm5 s PHE 160 CO -0.04 -0.02 0.42 -0.65 0.70 0.00 0.00 175.22 175.63 1mm5 s GLN 161 N 1.32 4.12 -0.09 0.44 -0.21 -0.21 -2.57 119.66 122.47 1mm5 s GLN 161 Ca 0.22 0.19 -0.03 0.00 0.02 0.00 0.00 55.36 55.76 1mm5 s GLN 161 Cb -0.15 -3.58 0.04 0.00 1.00 0.00 0.00 33.01 30.31 1mm5 s GLN 161 CO 0.09 -0.15 0.05 -0.06 -2.12 0.00 0.00 175.29 173.10 1mm5 s PHE 162 N 1.66 0.27 -0.15 0.91 0.40 -0.83 -4.78 117.98 115.46 1mm5 s PHE 162 Ca 0.19 -0.03 -0.05 0.00 -0.60 0.00 0.00 56.93 56.44 1mm5 s PHE 162 Cb -0.15 -0.63 0.07 0.00 0.51 0.00 0.00 43.02 42.82 1mm5 s PHE 162 CO 0.09 -0.32 0.30 -1.17 0.70 0.00 0.00 175.22 174.82 1mm5 s LEU 163 N 2.10 -0.38 -0.47 -0.37 0.20 -1.26 -2.47 118.68 116.03 1mm5 s LEU 163 Ca 0.04 0.66 0.03 0.00 0.69 0.00 0.00 54.13 55.55 1mm5 s LEU 163 Cb -0.13 0.84 0.13 0.00 -0.43 0.00 0.00 46.19 46.60 1mm5 s LEU 163 CO -0.05 -0.24 0.23 -0.70 -0.29 0.00 0.00 176.35 175.30 1mm5 s GLU 164 N 2.46 1.63 0.20 1.98 2.56 -1.26 -4.94 118.70 121.34 1mm5 s GLU 164 Ca 0.01 -2.28 0.05 0.00 0.00 0.00 0.00 54.97 52.75 1mm5 s GLU 164 Cb -0.12 -2.88 0.13 0.00 2.00 0.00 0.00 34.13 33.26 1mm5 s GLU 164 CO -0.10 -1.11 1.47 1.12 -0.56 0.00 0.00 175.26 176.09 1mm5 h HIS 165 N 6.72 0.23 -1.77 5.30 2.07 -1.99 -3.38 115.15 122.34 1mm5 h HIS 165 Ca -0.05 -0.11 -0.68 0.00 -2.85 0.00 0.00 60.37 56.68 1mm5 h HIS 165 Cb 0.92 -0.03 -0.14 0.00 2.57 0.00 0.00 27.41 30.72 1mm5 h HIS 165 CO 0.50 0.85 1.37 -1.01 -3.07 0.00 0.00 177.93 176.56 1mm5 s HIS 166 N -3.44 3.02 0.18 6.12 3.76 -1.26 -4.99 115.29 118.67 1mm5 s HIS 166 Ca -0.03 -1.49 -0.30 0.00 -0.15 0.00 0.00 55.06 53.09 1mm5 s HIS 166 Cb 0.11 -4.47 -0.08 0.00 1.11 0.00 0.00 32.58 29.25 1mm5 s HIS 166 CO 0.81 -1.63 1.28 -1.58 -0.85 0.00 0.00 174.74 172.76 1mm5 s HIS 167 N 3.22 3.31 0.34 1.40 2.46 -1.26 -5.01 115.29 119.75 1mm5 s HIS 167 Ca 0.42 1.27 -0.22 0.00 0.47 0.00 0.00 55.06 57.00 1mm5 s HIS 167 Cb -0.02 -3.55 -0.10 0.00 -0.13 0.00 0.00 32.58 28.79 1mm5 s HIS 167 CO -0.04 -1.68 0.88 -1.58 -2.47 0.00 0.00 174.74 169.85 1mm5 s HIS 168 N 0.17 3.53 -0.19 3.88 2.46 -1.26 -4.65 115.29 119.22 1mm5 s HIS 168 Ca 0.56 1.59 -0.11 0.00 0.47 0.00 0.00 55.06 57.57 1mm5 s HIS 168 Cb -0.35 -2.80 0.04 0.00 -0.13 0.00 0.00 32.58 29.34 1mm5 s HIS 168 CO 0.37 0.13 0.23 0.72 -2.47 0.00 0.00 174.74 173.71 1mm5 n HIS 169 N 0.13 -4.35 -1.44 3.88 8.25 -1.26 -5.29 115.22 115.14 1mm5 n HIS 169 Ca 0.03 2.48 0.00 0.00 -0.26 0.00 0.00 57.72 59.97 1mm5 n HIS 169 Cb 0.52 -3.88 0.00 0.00 1.12 0.00 0.00 29.99 27.75 1mm5 n HIS 169 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56