#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm4 n ASN 2 N 0.00 1.02 0.22 7.83 2.85 -1.26 -4.86 115.26 121.06 1mm4 n ASN 2 Ca 0.00 -2.02 0.15 0.00 -0.11 0.00 0.00 54.58 52.60 1mm4 n ASN 2 Cb 0.00 -0.31 0.75 0.00 1.24 0.00 0.00 39.78 41.46 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mm4 h ALA 3 N 1.03 1.00 0.00 5.20 0.00 -2.05 0.32 119.26 124.76 1mm4 h ALA 3 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1mm4 h ALA 3 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1mm4 h ALA 3 CO 0.10 0.00 -0.06 0.38 0.00 0.00 0.00 179.25 179.67 1mm4 h ASP 4 N 0.00 0.05 1.09 0.00 3.04 -2.01 -2.99 116.42 115.60 1mm4 h ASP 4 Ca 0.00 -0.86 -0.09 0.00 -3.24 0.00 0.00 57.03 52.84 1mm4 h ASP 4 Cb 0.15 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.41 1mm4 h ASP 4 CO 0.00 0.90 -0.45 -0.08 -2.04 0.00 0.00 179.24 177.57 1mm4 h GLU 5 N -0.80 0.00 -0.42 4.15 4.57 -1.87 -3.18 114.58 117.03 1mm4 h GLU 5 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1mm4 h GLU 5 Cb 0.91 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1mm4 h GLU 5 CO 0.01 0.45 0.06 2.35 -1.18 0.00 0.00 179.01 180.70 1mm4 h TRP 6 N 0.00 0.76 -0.07 0.92 7.01 -1.02 -2.73 115.95 120.82 1mm4 h TRP 6 Ca -0.00 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.83 1mm4 h TRP 6 Cb 1.11 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 1mm4 h TRP 6 CO 0.00 0.74 -0.23 0.52 -2.79 0.00 0.00 178.44 176.68 1mm4 h MET 7 N 0.56 0.11 0.29 2.65 2.86 -1.52 -2.00 114.93 117.88 1mm4 h MET 7 Ca 0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1mm4 h MET 7 Cb 0.39 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1mm4 h MET 7 CO 0.01 0.34 -0.16 1.15 1.06 0.00 0.00 176.91 179.32 1mm4 h THR 8 N 0.11 0.67 -0.06 2.22 2.02 -1.47 -0.59 112.91 115.80 1mm4 h THR 8 Ca 0.02 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 1mm4 h THR 8 Cb 0.47 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1mm4 h THR 8 CO 0.03 0.00 -0.39 0.71 0.37 0.00 0.00 175.52 176.24 1mm4 h THR 9 N -0.42 1.30 -0.50 3.16 1.35 -1.42 -2.60 112.91 113.79 1mm4 h THR 9 Ca -0.03 -1.43 -0.08 0.00 -0.55 0.00 0.00 66.41 64.32 1mm4 h THR 9 Cb 0.33 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1mm4 h THR 9 CO 0.05 0.42 -0.01 0.15 -0.25 0.00 0.00 175.52 175.88 1mm4 h PHE 10 N 0.11 0.90 -0.03 4.73 3.57 -1.03 0.12 116.94 125.31 1mm4 h PHE 10 Ca 0.01 -0.13 -0.16 0.00 3.53 0.00 0.00 57.97 61.22 1mm4 h PHE 10 Cb 0.75 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1mm4 h PHE 10 CO 0.01 0.82 -0.69 0.00 -2.23 0.00 0.00 178.31 176.22 1mm4 h ARG 11 N 0.78 0.16 0.05 1.11 3.08 -0.88 -1.85 114.38 116.82 1mm4 h ARG 11 Ca 0.15 -0.13 -0.23 0.00 0.07 0.00 0.00 59.98 59.84 1mm4 h ARG 11 Cb 0.48 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1mm4 h ARG 11 CO 0.02 0.79 -1.04 1.49 -1.07 0.00 0.00 179.97 180.16 1mm4 h GLU 12 N 0.11 0.17 -0.11 0.04 4.57 -1.15 -2.56 114.58 115.65 1mm4 h GLU 12 Ca -0.02 -0.24 -0.23 0.00 -1.18 0.00 0.00 59.36 57.69 1mm4 h GLU 12 Cb 1.23 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.92 1mm4 h GLU 12 CO 0.10 1.06 -0.84 -0.97 -1.18 0.00 0.00 179.01 177.18 1mm4 h ASN 13 N 0.07 0.93 -0.27 1.04 -1.24 -0.74 -2.26 115.58 113.10 1mm4 h ASN 13 Ca -0.07 -0.66 -0.08 0.00 0.71 0.00 0.00 56.30 56.20 1mm4 h ASN 13 Cb 1.75 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.52 1mm4 h ASN 13 CO 0.16 1.45 -0.14 -0.29 -1.29 0.00 0.00 177.43 177.31 1mm4 h ILE 14 N 0.48 1.30 -0.66 2.57 2.10 -1.42 -2.42 117.51 119.46 1mm4 h ILE 14 Ca -0.07 -1.24 -0.04 0.00 1.08 0.00 0.00 64.86 64.58 1mm4 h ILE 14 Cb 1.48 1.53 -0.03 0.00 -1.09 0.00 0.00 36.82 38.71 1mm4 h ILE 14 CO 0.17 0.39 0.24 0.00 -1.08 0.00 0.00 178.15 177.87 1mm4 h ALA 15 N 0.73 0.86 0.33 0.18 0.00 -1.52 -1.37 119.26 118.47 1mm4 h ALA 15 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1mm4 h ALA 15 Cb 0.66 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1mm4 h ALA 15 CO 0.04 0.51 -0.16 0.37 0.00 0.00 0.00 179.25 180.01 1mm4 h GLN 16 N 0.95 -0.42 -0.14 0.00 -0.00 -1.37 0.94 115.11 115.06 1mm4 h GLN 16 Ca 0.22 0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.89 1mm4 h GLN 16 Cb 0.25 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.81 1mm4 h GLN 16 CO -0.01 -0.27 0.06 0.00 0.00 0.00 0.00 178.83 178.61 1mm4 h THR 17 N -0.46 1.05 -0.01 2.39 1.03 -1.36 -1.09 112.91 114.47 1mm4 h THR 17 Ca -0.04 -0.16 -0.17 0.00 -0.01 0.00 0.00 66.41 66.02 1mm4 h THR 17 Cb 0.35 0.89 -0.02 0.00 -1.07 0.00 0.00 68.15 68.30 1mm4 h THR 17 CO 0.07 0.06 -0.79 -0.25 -0.01 0.00 0.00 175.52 174.61 1mm4 h TRP 18 N 0.19 0.15 0.19 0.00 -0.00 -0.80 -3.35 115.95 112.34 1mm4 h TRP 18 Ca 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 58.85 1mm4 h TRP 18 Cb 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.17 1mm4 h TRP 18 CO 0.00 0.85 -0.09 1.96 -0.00 0.00 0.00 178.44 181.15 1mm4 h GLN 19 N 0.06 -0.25 -3.40 2.65 1.08 0.26 -3.50 115.11 112.01 1mm4 h GLN 19 Ca -0.02 0.02 0.35 0.00 -1.45 0.00 0.00 58.65 57.54 1mm4 h GLN 19 Cb 1.38 0.06 -0.18 0.00 -0.05 0.00 0.00 27.48 28.69 1mm4 h GLN 19 CO 0.11 -0.17 -1.14 1.04 -0.95 0.00 0.00 178.83 177.72 1mm4 n GLN 20 N -4.00 -3.21 -2.07 1.46 1.13 -0.52 -4.72 117.38 105.46 1mm4 n GLN 20 Ca -0.03 2.57 -0.42 0.00 -1.94 0.00 0.00 57.00 57.17 1mm4 n GLN 20 Cb 0.10 -3.78 -0.03 0.00 0.11 0.00 0.00 30.24 26.65 1mm4 n GLN 20 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1mm4 s PRO 21 N -3.96 4.23 0.12 -1.09 0.04 -1.26 -4.91 135.00 128.17 1mm4 s PRO 21 Ca 0.00 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.23 1mm4 s PRO 21 Cb 0.00 -3.64 -0.17 0.00 0.04 0.00 0.00 34.50 30.73 1mm4 s PRO 21 CO 0.00 -0.68 1.27 1.05 0.04 0.00 0.00 177.00 178.68 1mm4 h GLU 22 N 8.27 0.11 -5.27 4.56 9.09 -1.91 -3.44 114.58 125.97 1mm4 h GLU 22 Ca -0.40 -0.16 -0.66 0.00 0.05 0.00 0.00 59.36 58.18 1mm4 h GLU 22 Cb 1.19 0.06 -0.29 0.00 -1.65 0.00 0.00 28.75 28.05 1mm4 h GLU 22 CO 0.92 1.04 -0.80 -1.01 0.05 0.00 0.00 179.01 179.21 1mm4 s HIS 23 N -2.81 2.75 -0.27 2.06 3.76 -1.26 -4.14 115.29 115.37 1mm4 s HIS 23 Ca -0.01 -0.88 -0.05 0.00 -0.15 0.00 0.00 55.06 53.97 1mm4 s HIS 23 Cb 0.09 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1mm4 s HIS 23 CO 0.84 -0.36 0.02 -0.47 -0.85 0.00 0.00 174.74 173.92 1mm4 s TYR 24 N 0.54 3.11 0.29 1.40 5.04 -1.07 -4.73 117.35 121.92 1mm4 s TYR 24 Ca -0.10 -1.19 0.07 0.00 -2.44 0.00 0.00 57.07 53.40 1mm4 s TYR 24 Cb -0.16 -2.17 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 1mm4 s TYR 24 CO 0.04 -0.63 0.30 -0.51 -1.34 0.00 0.00 175.55 173.41 1mm4 s ASP 25 N 1.43 5.68 -0.18 4.32 -0.00 -1.00 -1.62 116.67 125.31 1mm4 s ASP 25 Ca 0.02 -0.25 -0.04 0.00 -0.00 0.00 0.00 52.55 52.28 1mm4 s ASP 25 Cb -0.17 -1.35 0.09 0.00 -0.00 0.00 0.00 42.92 41.49 1mm4 s ASP 25 CO -0.00 -0.19 0.28 -0.76 -0.00 0.00 0.00 175.17 174.49 1mm4 s LEU 26 N -3.96 -0.32 -0.15 1.23 1.02 -0.84 -1.08 118.68 114.57 1mm4 s LEU 26 Ca 0.37 0.27 -0.15 0.00 0.02 0.00 0.00 54.13 54.65 1mm4 s LEU 26 Cb -0.08 0.71 -0.05 0.00 0.02 0.00 0.00 46.19 46.80 1mm4 s LEU 26 CO 0.27 -0.28 0.33 -0.31 0.02 0.00 0.00 176.35 176.38 1mm4 s TYR 27 N 2.42 3.47 -0.03 0.29 2.02 -0.76 -1.36 117.35 123.40 1mm4 s TYR 27 Ca 0.05 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.42 1mm4 s TYR 27 Cb -0.14 -2.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.05 1mm4 s TYR 27 CO -0.11 0.23 -0.06 0.96 -1.57 0.00 0.00 175.55 175.00 1mm4 s ILE 28 N 0.49 0.57 0.45 2.71 -4.36 -0.07 -2.23 121.20 118.76 1mm4 s ILE 28 Ca 0.18 -0.20 -0.08 0.00 -0.26 0.00 0.00 60.65 60.30 1mm4 s ILE 28 Cb -0.13 -0.55 0.11 0.00 1.25 0.00 0.00 42.46 43.13 1mm4 s ILE 28 CO 0.05 0.21 0.55 -0.81 0.24 0.00 0.00 174.94 175.18 1mm4 n PRO 29 N 3.66 -0.93 -0.00 0.37 -0.04 -1.25 -2.60 135.00 134.21 1mm4 n PRO 29 Ca -0.22 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1mm4 n PRO 29 Cb 0.53 -0.63 -0.00 0.00 -0.04 0.00 0.00 33.50 33.36 1mm4 n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mm4 n ALA 30 N -3.49 -0.00 -3.06 0.55 0.00 -1.26 -4.76 120.51 108.48 1mm4 n ALA 30 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1mm4 n ALA 30 Cb 0.25 -0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 1mm4 n ALA 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1mm4 s ILE 31 N -0.00 3.05 0.00 0.00 2.07 -1.26 -4.71 121.20 120.34 1mm4 s ILE 31 Ca 0.00 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 1mm4 s ILE 31 Cb 0.00 -2.28 0.00 0.00 0.13 0.00 0.00 42.46 40.31 1mm4 s ILE 31 CO 0.00 0.53 0.13 0.35 -1.91 0.00 0.00 174.94 174.04 1mm4 n THR 32 N 3.50 0.00 -1.89 4.00 -2.24 -1.26 -5.07 114.28 111.31 1mm4 n THR 32 Ca -0.18 0.60 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 1mm4 n THR 32 Cb 0.53 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 1mm4 n THR 32 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1mm4 n TRP 33 N -1.91 -4.48 0.02 4.78 -0.00 -1.26 -4.89 117.44 109.71 1mm4 n TRP 33 Ca 0.00 2.68 -0.13 0.00 -0.00 0.00 0.00 57.50 60.05 1mm4 n TRP 33 Cb 0.00 -3.53 -0.09 0.00 -0.00 0.00 0.00 31.31 27.69 1mm4 n TRP 33 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1mm4 h HIS 34 N 3.81 -0.03 -2.62 5.87 3.86 -2.05 -3.49 115.15 120.49 1mm4 h HIS 34 Ca 0.00 -0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.44 1mm4 h HIS 34 Cb 0.00 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 1mm4 h HIS 34 CO 0.00 0.29 -0.30 0.00 0.86 0.00 0.00 177.93 178.77 1mm4 n ALA 35 N -2.27 -2.17 -0.10 2.45 0.00 -1.26 -4.77 120.51 112.39 1mm4 n ALA 35 Ca -0.08 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 1mm4 n ALA 35 Cb 0.18 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 1mm4 n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mm4 n ARG 36 N -3.24 0.45 0.06 0.00 1.74 -1.26 -5.06 116.66 109.35 1mm4 n ARG 36 Ca 0.01 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1mm4 n ARG 36 Cb 0.38 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1mm4 n ARG 36 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1mm4 n PHE 37 N -3.69 -2.51 -2.88 -1.55 7.35 -1.26 -5.10 117.46 107.83 1mm4 n PHE 37 Ca -0.39 0.41 -0.42 0.00 -0.76 0.00 0.00 57.45 56.29 1mm4 n PHE 37 Cb 0.81 1.28 -0.04 0.00 0.35 0.00 0.00 39.48 41.88 1mm4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1mm4 s ALA 38 N -1.37 3.43 0.65 3.13 0.00 -1.26 -5.04 121.76 121.30 1mm4 s ALA 38 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 1mm4 s ALA 38 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1mm4 s ALA 38 CO 0.00 -1.51 1.05 1.52 0.00 0.00 0.00 175.76 176.83 1mm4 s TYR 39 N 3.26 3.50 -0.01 0.00 -0.85 -1.26 -5.05 117.35 116.94 1mm4 s TYR 39 Ca 0.35 1.21 -0.14 0.00 -0.52 0.00 0.00 57.07 57.97 1mm4 s TYR 39 Cb -0.13 -2.85 -0.06 0.00 0.38 0.00 0.00 41.96 39.31 1mm4 s TYR 39 CO 0.17 -0.88 0.39 -0.51 -1.52 0.00 0.00 175.55 173.19 1mm4 s ASP 40 N -4.22 6.77 -0.21 -0.18 1.11 -1.26 -5.08 116.67 113.61 1mm4 s ASP 40 Ca 0.56 0.92 -0.04 0.00 0.18 0.00 0.00 52.55 54.18 1mm4 s ASP 40 Cb -0.11 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.63 1mm4 s ASP 40 CO 0.53 0.33 -0.05 -0.75 1.18 0.00 0.00 175.17 176.41 1mm4 s LYS 41 N -1.04 3.41 -1.15 8.23 2.20 -1.26 -5.05 119.74 125.07 1mm4 s LYS 41 Ca 0.23 -0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 55.06 1mm4 s LYS 41 Cb -0.16 -2.98 0.13 0.00 -1.51 0.00 0.00 37.83 33.31 1mm4 s LYS 41 CO 0.13 -0.13 1.43 -1.21 -0.36 0.00 0.00 175.35 175.21 1mm4 s GLU 42 N 1.30 3.93 -0.32 4.03 2.02 -1.26 -4.89 118.70 123.51 1mm4 s GLU 42 Ca 0.04 -2.19 -0.02 0.00 0.02 0.00 0.00 54.97 52.82 1mm4 s GLU 42 Cb -0.14 -5.15 0.11 0.00 0.10 0.00 0.00 34.13 29.05 1mm4 s GLU 42 CO -0.02 -1.90 0.15 0.15 0.02 0.00 0.00 175.26 173.66 1mm4 s LYS 43 N 2.58 0.47 0.14 1.61 -0.14 -1.26 -4.90 119.74 118.24 1mm4 s LYS 43 Ca 0.43 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 54.09 1mm4 s LYS 43 Cb -0.02 -1.46 0.00 0.00 -1.68 0.00 0.00 37.83 34.67 1mm4 s LYS 43 CO -0.01 -1.07 0.00 2.41 -0.76 0.00 0.00 175.35 175.92 1mm4 n THR 44 N 4.74 0.00 -2.58 2.17 -1.04 -1.26 -5.01 114.28 111.30 1mm4 n THR 44 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1mm4 n THR 44 Cb 0.40 -0.19 0.06 0.00 -1.82 0.00 0.00 70.33 68.79 1mm4 n THR 44 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1mm4 n ASP 45 N -2.92 -0.34 -3.85 8.00 8.00 -1.26 -5.11 116.55 119.06 1mm4 n ASP 45 Ca 0.00 -2.11 -0.15 0.00 0.71 0.00 0.00 54.79 53.24 1mm4 n ASP 45 Cb 0.00 0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 41.16 1mm4 n ASP 45 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1mm4 s ARG 46 N -0.93 0.21 0.25 -1.24 0.52 -1.26 -5.13 118.95 111.36 1mm4 s ARG 46 Ca 0.15 0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.08 1mm4 s ARG 46 Cb 0.33 -0.32 -0.09 0.00 0.52 0.00 0.00 34.95 35.39 1mm4 s ARG 46 CO -0.09 -0.06 1.29 0.71 0.02 0.00 0.00 175.30 177.18 1mm4 s TYR 47 N 0.55 3.21 -0.12 -0.53 2.02 -1.26 -4.90 117.35 116.31 1mm4 s TYR 47 Ca -0.05 1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 57.94 1mm4 s TYR 47 Cb -0.08 -3.61 -0.03 0.00 -0.40 0.00 0.00 41.96 37.85 1mm4 s TYR 47 CO -0.01 -1.78 -0.04 -0.80 -1.57 0.00 0.00 175.55 171.34 1mm4 s ASN 48 N -0.04 4.80 0.29 2.29 -0.87 -1.26 -5.12 114.94 115.04 1mm4 s ASN 48 Ca 0.53 -0.07 0.08 0.00 -1.57 0.00 0.00 52.86 51.83 1mm4 s ASN 48 Cb -0.37 -1.57 -0.04 0.00 -0.02 0.00 0.00 41.25 39.25 1mm4 s ASN 48 CO 0.43 0.25 0.17 -1.61 -2.57 0.00 0.00 177.10 173.77 1mm4 s GLU 49 N -0.12 2.65 -0.64 -0.60 8.01 -1.26 -5.08 118.70 121.66 1mm4 s GLU 49 Ca 0.02 -1.28 0.06 0.00 0.01 0.00 0.00 54.97 53.78 1mm4 s GLU 49 Cb -0.13 -2.39 0.23 0.00 -4.31 0.00 0.00 34.13 27.53 1mm4 s GLU 49 CO 0.03 0.26 0.68 -2.13 0.01 0.00 0.00 175.26 174.11 1mm4 n ARG 50 N -1.17 2.27 -2.11 1.61 3.00 -1.26 -5.05 116.66 113.95 1mm4 n ARG 50 Ca -0.05 -4.54 -0.38 0.00 -0.00 0.00 0.00 57.85 52.88 1mm4 n ARG 50 Cb 0.59 -2.20 -0.03 0.00 0.00 0.00 0.00 32.46 30.82 1mm4 n ARG 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1mm4 s PRO 51 N -2.19 2.71 0.33 -0.14 0.04 -1.26 -4.98 135.00 129.50 1mm4 s PRO 51 Ca 0.37 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.78 1mm4 s PRO 51 Cb 0.11 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1mm4 s PRO 51 CO -0.05 -2.71 0.57 -1.58 0.04 0.00 0.00 177.00 173.27 1mm4 s TRP 52 N 8.67 3.50 0.00 0.56 0.52 -1.26 -4.54 118.94 126.39 1mm4 s TRP 52 Ca 0.63 0.52 0.00 0.00 0.02 0.00 0.00 56.10 57.27 1mm4 s TRP 52 Cb -0.11 -2.02 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 1mm4 s TRP 52 CO 0.18 0.12 0.00 0.41 0.02 0.00 0.00 176.95 177.67 1mm4 n GLY 53 N -1.41 0.48 3.46 0.98 0.00 -1.25 -4.60 105.19 102.84 1mm4 n GLY 53 Ca -0.03 0.29 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 1mm4 n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm4 s GLY 54 N 0.00 2.15 0.00 -0.02 0.00 -1.07 -3.95 107.32 104.43 1mm4 s GLY 54 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1mm4 s GLY 54 CO 0.00 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.90 1mm4 n GLY 55 N -0.71 -0.53 3.76 0.20 0.00 -0.94 -0.74 105.19 106.22 1mm4 n GLY 55 Ca -0.03 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1mm4 n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mm4 s PHE 56 N -3.00 2.20 0.06 1.61 -0.71 -0.91 -1.83 117.98 115.40 1mm4 s PHE 56 Ca 0.00 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 1mm4 s PHE 56 Cb 0.00 -1.84 -0.04 0.00 -1.21 0.00 0.00 43.02 39.94 1mm4 s PHE 56 CO 0.00 0.10 -0.05 0.20 -1.34 0.00 0.00 175.22 174.13 1mm4 s GLY 57 N -3.95 0.52 0.33 1.99 0.00 -0.24 -2.56 107.32 103.40 1mm4 s GLY 57 Ca 0.30 -1.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.93 1mm4 s GLY 57 CO 0.17 -1.18 0.41 -2.27 0.00 0.00 0.00 173.10 170.23 1mm4 s LEU 58 N -2.53 1.19 -0.17 0.66 2.96 0.43 -2.38 118.68 118.84 1mm4 s LEU 58 Ca 0.02 -1.53 -0.31 0.00 -0.22 0.00 0.00 54.13 52.09 1mm4 s LEU 58 Cb 0.02 1.19 0.14 0.00 0.50 0.00 0.00 46.19 48.04 1mm4 s LEU 58 CO -0.06 -1.21 1.11 -0.94 -1.32 0.00 0.00 176.35 173.93 1mm4 s SER 59 N -3.26 -0.24 0.41 3.68 1.04 -1.26 -2.39 113.70 111.68 1mm4 s SER 59 Ca 0.33 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.97 1mm4 s SER 59 Cb 0.01 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1mm4 s SER 59 CO 0.21 -0.29 0.16 -0.13 0.98 0.00 0.00 173.24 174.17 1mm4 s ARG 60 N -1.72 1.95 -0.14 4.02 0.52 0.40 -4.92 118.95 119.06 1mm4 s ARG 60 Ca 0.04 -2.19 -0.03 0.00 -0.52 0.00 0.00 55.73 53.03 1mm4 s ARG 60 Cb -0.01 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 1mm4 s ARG 60 CO -0.04 -0.53 -0.03 -0.46 0.02 0.00 0.00 175.30 174.26 1mm4 s TRP 61 N -3.22 3.04 -0.23 -0.53 -0.00 -1.26 -2.07 118.94 114.67 1mm4 s TRP 61 Ca 0.25 -0.17 -0.07 0.00 -0.00 0.00 0.00 56.10 56.10 1mm4 s TRP 61 Cb 0.02 -1.91 -0.03 0.00 -0.00 0.00 0.00 33.47 31.55 1mm4 s TRP 61 CO 0.16 0.09 0.07 0.34 -0.00 0.00 0.00 176.95 177.62 1mm4 s ASP 62 N 0.04 5.30 0.58 5.86 -1.08 0.47 -4.86 116.67 122.97 1mm4 s ASP 62 Ca 0.01 -0.12 0.35 0.00 -0.52 0.00 0.00 52.55 52.26 1mm4 s ASP 62 Cb -0.13 -1.94 1.88 0.00 -1.46 0.00 0.00 42.92 41.26 1mm4 s ASP 62 CO 0.03 0.02 2.05 -0.08 0.52 0.00 0.00 175.17 177.70 1mm4 h GLU 63 N 7.84 0.00 -0.92 4.34 4.81 -1.99 -0.73 114.58 127.92 1mm4 h GLU 63 Ca -0.37 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.70 1mm4 h GLU 63 Cb 1.18 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 1mm4 h GLU 63 CO 0.60 0.00 0.20 1.17 -0.73 0.00 0.00 179.01 180.26 1mm4 n LYS 64 N -2.80 2.14 -3.23 1.92 0.00 -1.26 -4.85 118.16 110.08 1mm4 n LYS 64 Ca -0.02 -1.54 -0.16 0.00 0.00 0.00 0.00 58.31 56.59 1mm4 n LYS 64 Cb 0.16 -1.70 0.06 0.00 0.00 0.00 0.00 35.03 33.55 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mm4 n GLY 65 N -0.08 -0.13 3.21 3.14 0.00 -0.30 -5.03 105.19 106.00 1mm4 n GLY 65 Ca 0.24 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 1mm4 n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm4 s ASN 66 N -3.42 1.64 -0.42 1.61 0.01 -1.08 -4.95 114.94 108.33 1mm4 s ASN 66 Ca 0.32 -0.89 -0.04 0.00 -0.71 0.00 0.00 52.86 51.54 1mm4 s ASN 66 Cb -0.14 -0.01 0.11 0.00 0.41 0.00 0.00 41.25 41.62 1mm4 s ASN 66 CO 0.53 -0.28 0.22 0.86 -1.51 0.00 0.00 177.10 176.92 1mm4 s TRP 67 N -2.77 3.55 0.38 2.20 -0.11 -0.93 -0.40 118.94 120.87 1mm4 s TRP 67 Ca 0.10 -2.28 -0.26 0.00 1.22 0.00 0.00 56.10 54.88 1mm4 s TRP 67 Cb -0.01 -3.23 -0.09 0.00 -1.50 0.00 0.00 33.47 28.64 1mm4 s TRP 67 CO 0.00 -0.97 1.25 -1.58 -4.62 0.00 0.00 176.95 171.04 1mm4 s HIS 68 N 1.19 2.98 0.00 5.86 5.65 -0.88 -2.02 115.29 128.07 1mm4 s HIS 68 Ca 0.07 1.47 0.05 0.00 0.25 0.00 0.00 55.06 56.91 1mm4 s HIS 68 Cb -0.23 -3.56 -0.01 0.00 -1.18 0.00 0.00 32.58 27.59 1mm4 s HIS 68 CO -0.03 -1.72 -0.15 0.20 -0.65 0.00 0.00 174.74 172.39 1mm4 s GLY 69 N -0.83 0.78 -0.25 1.59 0.00 -0.76 -0.45 107.32 107.41 1mm4 s GLY 69 Ca 0.55 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1mm4 s GLY 69 CO 0.46 -0.62 0.46 -2.27 0.00 0.00 0.00 173.10 171.12 1mm4 s LEU 70 N -0.56 -0.83 0.13 0.66 0.20 -1.00 -2.37 118.68 114.91 1mm4 s LEU 70 Ca 0.05 0.72 0.01 0.00 0.69 0.00 0.00 54.13 55.60 1mm4 s LEU 70 Cb -0.06 1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 47.15 1mm4 s LEU 70 CO -0.00 -0.26 -0.01 -0.72 -0.29 0.00 0.00 176.35 175.06 1mm4 s TYR 71 N 2.66 0.98 -0.04 5.38 1.13 -0.99 -0.42 117.35 126.05 1mm4 s TYR 71 Ca 0.08 -1.03 -0.01 0.00 -1.41 0.00 0.00 57.07 54.71 1mm4 s TYR 71 Cb -0.14 -0.57 0.03 0.00 -1.10 0.00 0.00 41.96 40.18 1mm4 s TYR 71 CO -0.16 -0.26 0.07 0.00 -2.51 0.00 0.00 175.55 172.69 1mm4 s ALA 72 N -3.74 -0.04 0.41 9.51 0.00 -1.06 -2.24 121.76 124.60 1mm4 s ALA 72 Ca 0.18 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1mm4 s ALA 72 Cb 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1mm4 s ALA 72 CO -0.01 -0.13 0.10 -1.64 0.00 0.00 0.00 175.76 174.09 1mm4 s MET 73 N 1.12 1.94 -0.04 0.00 -1.94 -1.07 -2.14 119.30 117.16 1mm4 s MET 73 Ca -0.09 -2.18 -0.04 0.00 -1.71 0.00 0.00 55.69 51.67 1mm4 s MET 73 Cb -0.13 -0.79 0.02 0.00 2.01 0.00 0.00 34.83 35.94 1mm4 s MET 73 CO -0.04 -0.42 0.11 0.00 -0.01 0.00 0.00 175.02 174.66 1mm4 s ALA 74 N -3.16 -0.26 -0.07 3.03 0.00 0.08 -0.43 121.76 120.94 1mm4 s ALA 74 Ca 0.23 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1mm4 s ALA 74 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1mm4 s ALA 74 CO 0.13 -0.07 0.02 -0.06 0.00 0.00 0.00 175.76 175.78 1mm4 s PHE 75 N 0.28 3.20 0.25 0.00 0.08 -1.05 -2.59 117.98 118.15 1mm4 s PHE 75 Ca -0.02 0.21 -0.20 0.00 0.12 0.00 0.00 56.93 57.04 1mm4 s PHE 75 Cb -0.03 -1.78 -0.09 0.00 -0.57 0.00 0.00 43.02 40.56 1mm4 s PHE 75 CO -0.01 0.50 0.76 0.15 -0.10 0.00 0.00 175.22 176.52 1mm4 s LYS 76 N -1.09 4.25 0.35 0.44 -0.14 -1.26 -2.59 119.74 119.71 1mm4 s LYS 76 Ca 0.15 0.90 -0.05 0.00 -1.36 0.00 0.00 55.97 55.61 1mm4 s LYS 76 Cb -0.11 -2.79 0.08 0.00 -1.68 0.00 0.00 37.83 33.32 1mm4 s LYS 76 CO 0.05 0.34 0.48 -3.47 -0.76 0.00 0.00 175.35 171.99 1mm4 n ASP 77 N 0.52 0.15 0.09 2.83 -0.08 0.14 -4.94 116.55 115.27 1mm4 n ASP 77 Ca -0.01 -1.24 -0.06 0.00 -1.51 0.00 0.00 54.79 51.97 1mm4 n ASP 77 Cb 0.51 -0.36 0.04 0.00 2.34 0.00 0.00 41.12 43.66 1mm4 n ASP 77 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1mm4 h SER 78 N -0.57 0.18 0.00 1.67 0.87 -1.98 -3.42 113.55 110.30 1mm4 h SER 78 Ca -0.16 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1mm4 h SER 78 Cb 0.46 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1mm4 h SER 78 CO 0.12 0.89 -0.03 1.87 -0.53 0.00 0.00 176.83 179.15 1mm4 n TRP 79 N -3.70 0.00 -3.06 2.24 -0.00 -1.26 -5.06 117.44 106.61 1mm4 n TRP 79 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.50 1mm4 n TRP 79 Cb 0.75 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.31 32.04 1mm4 n TRP 79 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1mm4 s ASN 80 N -4.58 -1.03 -0.29 5.87 2.47 -1.26 -5.14 114.94 110.97 1mm4 s ASN 80 Ca -0.01 -0.33 -0.15 0.00 0.42 0.00 0.00 52.86 52.79 1mm4 s ASN 80 Cb 0.00 1.41 0.15 0.00 -1.45 0.00 0.00 41.25 41.36 1mm4 s ASN 80 CO 0.01 -0.14 0.97 -0.54 -3.72 0.00 0.00 177.10 173.68 1mm4 s LYS 81 N 2.19 0.35 -0.12 0.43 1.02 -1.26 -4.92 119.74 117.42 1mm4 s LYS 81 Ca 0.16 0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.89 1mm4 s LYS 81 Cb -0.02 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.55 1mm4 s LYS 81 CO -0.15 -0.09 -0.15 1.67 -0.92 0.00 0.00 175.35 175.71 1mm4 s TRP 82 N 1.93 2.76 -0.14 3.18 1.48 -1.26 0.28 118.94 127.17 1mm4 s TRP 82 Ca -0.06 -0.64 0.02 0.00 -1.06 0.00 0.00 56.10 54.37 1mm4 s TRP 82 Cb -0.05 -1.80 0.01 0.00 -1.16 0.00 0.00 33.47 30.47 1mm4 s TRP 82 CO -0.16 -0.19 -0.21 -1.21 -4.06 0.00 0.00 176.95 171.12 1mm4 s GLU 83 N 0.21 2.90 0.69 3.25 2.02 -1.07 -4.93 118.70 121.77 1mm4 s GLU 83 Ca -0.09 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 1mm4 s GLU 83 Cb -0.16 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1mm4 s GLU 83 CO 0.05 -0.02 1.06 -1.25 0.02 0.00 0.00 175.26 175.12 1mm4 s PRO 84 N 0.85 2.96 -0.07 0.39 0.04 -1.26 -2.52 135.00 135.39 1mm4 s PRO 84 Ca -0.07 0.97 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 1mm4 s PRO 84 Cb -0.15 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.42 1mm4 s PRO 84 CO -0.02 -1.08 0.16 0.96 0.04 0.00 0.00 177.00 177.06 1mm4 s ILE 85 N -3.01 -0.02 0.01 0.56 -4.36 0.42 -4.86 121.20 109.94 1mm4 s ILE 85 Ca 0.58 0.08 -0.03 0.00 -0.26 0.00 0.00 60.65 61.03 1mm4 s ILE 85 Cb -0.14 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.28 1mm4 s ILE 85 CO 0.54 0.03 0.20 0.00 0.24 0.00 0.00 174.94 175.95 1mm4 s ALA 86 N 0.63 3.96 -0.14 2.27 0.00 -1.07 -2.60 121.76 124.81 1mm4 s ALA 86 Ca -0.04 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1mm4 s ALA 86 Cb -0.06 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.21 1mm4 s ALA 86 CO -0.03 0.76 0.36 0.20 0.00 0.00 0.00 175.76 177.04 1mm4 s GLY 87 N -2.03 -0.27 -0.07 0.00 0.00 -0.95 -0.43 107.32 103.58 1mm4 s GLY 87 Ca 0.29 1.15 -0.07 0.00 0.00 0.00 0.00 44.72 46.09 1mm4 s GLY 87 CO 0.20 1.14 0.19 -2.52 0.00 0.00 0.00 173.10 172.12 1mm4 s TYR 88 N 0.66 -0.20 0.00 1.90 1.13 0.01 -2.34 117.35 118.51 1mm4 s TYR 88 Ca -0.04 0.48 0.00 0.00 -1.41 0.00 0.00 57.07 56.10 1mm4 s TYR 88 Cb -0.05 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1mm4 s TYR 88 CO -0.04 -0.12 0.00 0.41 -2.51 0.00 0.00 175.55 173.29 1mm4 n GLY 89 N 2.87 1.98 3.13 5.49 0.00 -1.00 -0.43 105.19 117.24 1mm4 n GLY 89 Ca -0.13 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1mm4 n GLY 89 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mm4 s TRP 90 N -5.18 1.23 0.01 1.61 0.51 -0.77 -1.82 118.94 114.53 1mm4 s TRP 90 Ca 0.00 -0.32 -0.01 0.00 -2.12 0.00 0.00 56.10 53.65 1mm4 s TRP 90 Cb 0.00 -0.75 -0.01 0.00 -0.81 0.00 0.00 33.47 31.90 1mm4 s TRP 90 CO 0.00 0.02 -0.00 -1.83 -0.51 0.00 0.00 176.95 174.63 1mm4 s GLU 91 N -0.91 0.27 -0.10 4.98 -1.05 -0.86 -1.67 118.70 119.37 1mm4 s GLU 91 Ca 0.03 -0.47 -0.07 0.00 -0.15 0.00 0.00 54.97 54.31 1mm4 s GLU 91 Cb -0.07 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 1mm4 s GLU 91 CO 0.01 -0.05 0.15 -1.12 0.95 0.00 0.00 175.26 175.20 1mm4 s SER 92 N -1.17 6.40 0.17 0.83 0.01 0.09 -2.19 113.70 117.84 1mm4 s SER 92 Ca -0.13 0.47 -0.10 0.00 1.31 0.00 0.00 55.95 57.50 1mm4 s SER 92 Cb -0.08 -2.07 -0.07 0.00 0.21 0.00 0.00 66.02 64.02 1mm4 s SER 92 CO -0.01 0.39 0.50 -0.89 0.41 0.00 0.00 173.24 173.64 1mm4 s THR 93 N -1.07 4.98 -0.18 1.44 2.01 -1.26 -2.52 115.64 119.04 1mm4 s THR 93 Ca 0.17 0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 1mm4 s THR 93 Cb -0.12 -3.65 0.09 0.00 0.01 0.00 0.00 72.50 68.83 1mm4 s THR 93 CO 0.06 0.08 0.33 0.26 -0.69 0.00 0.00 174.62 174.67 1mm4 s TRP 94 N -1.64 -0.62 0.09 4.92 0.23 0.22 -4.95 118.94 117.19 1mm4 s TRP 94 Ca 0.42 1.08 0.08 0.00 -2.03 0.00 0.00 56.10 55.64 1mm4 s TRP 94 Cb -0.13 0.07 -0.03 0.00 0.03 0.00 0.00 33.47 33.41 1mm4 s TRP 94 CO 0.21 -0.49 -0.21 1.03 0.96 0.00 0.00 176.95 178.45 1mm4 s ARG 95 N 2.50 1.17 0.33 4.98 0.52 -1.26 -2.41 118.95 124.79 1mm4 s ARG 95 Ca 0.03 -1.11 0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1mm4 s ARG 95 Cb -0.13 -1.40 0.58 0.00 0.52 0.00 0.00 34.95 34.52 1mm4 s ARG 95 CO -0.12 0.33 1.72 -1.00 0.02 0.00 0.00 175.30 176.26 1mm4 h PRO 96 N 4.26 0.00 0.00 3.54 0.13 -1.95 -3.38 132.00 134.60 1mm4 h PRO 96 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1mm4 h PRO 96 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 1mm4 h PRO 96 CO 0.40 0.47 -0.25 -0.11 -0.23 0.00 0.00 178.00 178.29 1mm4 n LEU 97 N -3.86 -1.17 -3.00 1.56 7.94 -1.26 -5.04 117.00 112.17 1mm4 n LEU 97 Ca -0.01 -2.59 -0.00 0.00 -1.11 0.00 0.00 56.01 52.29 1mm4 n LEU 97 Cb 0.51 0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.59 1mm4 n LEU 97 CO 0.40 1.56 0.33 0.00 -1.11 0.00 0.00 177.39 178.56 1mm4 n ALA 98 N -0.94 -2.49 -2.53 1.96 0.00 -1.26 -5.05 120.51 110.20 1mm4 n ALA 98 Ca -0.19 0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1mm4 n ALA 98 Cb 0.78 -1.56 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1mm4 n ALA 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mm4 s ASP 99 N -2.95 3.93 -0.10 0.00 -1.08 -1.26 -5.05 116.67 110.16 1mm4 s ASP 99 Ca 0.01 -1.02 0.10 0.00 -0.52 0.00 0.00 52.55 51.12 1mm4 s ASP 99 Cb -0.00 -0.45 -0.14 0.00 -1.46 0.00 0.00 42.92 40.86 1mm4 s ASP 99 CO 0.73 -0.12 0.07 1.21 0.52 0.00 0.00 175.17 177.57 1mm4 n GLU 100 N -0.81 1.97 0.40 4.34 4.07 -1.26 -4.70 120.64 124.65 1mm4 n GLU 100 Ca -0.05 -0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.87 1mm4 n GLU 100 Cb 0.62 -1.29 -0.08 0.00 -0.06 0.00 0.00 31.44 30.63 1mm4 n GLU 100 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1mm4 h ASN 101 N 0.00 -0.98 -3.53 4.31 -1.24 -1.96 -3.43 115.58 108.75 1mm4 h ASN 101 Ca -0.27 0.04 -0.67 0.00 0.71 0.00 0.00 56.30 56.12 1mm4 h ASN 101 Cb 1.55 0.27 -0.26 0.00 0.73 0.00 0.00 38.32 40.61 1mm4 h ASN 101 CO 0.01 -0.65 -0.77 0.72 -1.29 0.00 0.00 177.43 175.45 1mm4 s PHE 102 N -5.39 2.76 0.10 0.67 -0.12 -1.26 -1.66 117.98 113.07 1mm4 s PHE 102 Ca -0.16 -0.54 -0.05 0.00 -0.05 0.00 0.00 56.93 56.13 1mm4 s PHE 102 Cb 0.02 -1.77 -0.02 0.00 -0.63 0.00 0.00 43.02 40.62 1mm4 s PHE 102 CO 0.49 -0.12 0.13 -3.38 -0.05 0.00 0.00 175.22 172.29 1mm4 s HIS 103 N 0.05 0.43 -0.10 3.49 -3.43 -0.98 -4.69 115.29 110.07 1mm4 s HIS 103 Ca -0.05 -0.87 -0.17 0.00 -0.80 0.00 0.00 55.06 53.17 1mm4 s HIS 103 Cb -0.15 -0.22 0.04 0.00 -1.43 0.00 0.00 32.58 30.82 1mm4 s HIS 103 CO 0.04 -0.54 0.42 -0.48 -2.00 0.00 0.00 174.74 172.19 1mm4 s LEU 104 N -2.93 0.41 0.00 5.38 0.05 -1.01 -2.46 118.68 118.11 1mm4 s LEU 104 Ca 0.12 0.57 -0.13 0.00 0.05 0.00 0.00 54.13 54.74 1mm4 s LEU 104 Cb 0.06 1.53 0.05 0.00 -2.05 0.00 0.00 46.19 45.78 1mm4 s LEU 104 CO -0.06 -0.31 0.68 0.61 -0.55 0.00 0.00 176.35 176.72 1mm4 n GLY 105 N 2.05 1.13 3.45 -3.48 0.00 -0.82 -0.61 105.19 106.91 1mm4 n GLY 105 Ca -0.17 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 1mm4 n GLY 105 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mm4 s LEU 106 N 0.00 -0.60 0.00 0.99 2.34 -1.05 -2.59 118.68 117.78 1mm4 s LEU 106 Ca 0.14 0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.54 1mm4 s LEU 106 Cb -0.04 2.58 0.00 0.00 -0.56 0.00 0.00 46.19 48.17 1mm4 s LEU 106 CO 0.10 -0.86 0.00 0.61 -1.06 0.00 0.00 176.35 175.14 1mm4 n GLY 107 N -0.00 -0.87 3.68 -3.48 0.00 -1.07 -0.73 105.19 102.72 1mm4 n GLY 107 Ca -0.18 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1mm4 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm4 s PHE 108 N -3.00 2.83 -0.02 1.61 0.40 -0.67 -2.15 117.98 116.98 1mm4 s PHE 108 Ca 0.00 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1mm4 s PHE 108 Cb 0.00 -1.30 0.02 0.00 0.51 0.00 0.00 43.02 42.25 1mm4 s PHE 108 CO 0.00 0.56 0.01 0.99 0.70 0.00 0.00 175.22 177.48 1mm4 s THR 109 N -2.05 0.06 -0.33 0.64 2.01 -0.80 -1.85 115.64 113.32 1mm4 s THR 109 Ca 0.30 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.31 1mm4 s THR 109 Cb -0.08 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1mm4 s THR 109 CO 0.20 0.10 0.16 0.00 -0.69 0.00 0.00 174.62 174.38 1mm4 s ALA 110 N 0.82 3.24 -0.18 7.40 0.00 0.43 -2.32 121.76 131.15 1mm4 s ALA 110 Ca -0.07 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.27 1mm4 s ALA 110 Cb -0.11 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 1mm4 s ALA 110 CO -0.02 -1.04 0.23 0.20 0.00 0.00 0.00 175.76 175.13 1mm4 s GLY 111 N 1.58 2.14 -0.15 0.00 0.00 -0.08 -0.81 107.32 110.00 1mm4 s GLY 111 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1mm4 s GLY 111 CO 0.06 0.33 -0.15 -1.34 0.00 0.00 0.00 173.10 171.99 1mm4 s VAL 112 N 0.44 2.73 -0.06 1.40 -7.23 0.43 -0.62 120.40 117.49 1mm4 s VAL 112 Ca 0.13 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1mm4 s VAL 112 Cb -0.12 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.69 1mm4 s VAL 112 CO 0.02 0.52 -0.09 0.42 -0.31 0.00 0.00 175.10 175.65 1mm4 s THR 113 N 0.70 0.92 -0.12 5.32 -4.23 -1.07 -2.60 115.64 114.56 1mm4 s THR 113 Ca -0.07 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1mm4 s THR 113 Cb -0.16 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 1mm4 s THR 113 CO 0.02 0.31 0.01 0.00 -0.54 0.00 0.00 174.62 174.42 1mm4 s ALA 114 N 0.89 3.25 -0.52 3.99 0.00 -1.26 -0.43 121.76 127.68 1mm4 s ALA 114 Ca -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1mm4 s ALA 114 Cb -0.15 -1.60 0.14 0.00 0.00 0.00 0.00 23.12 21.51 1mm4 s ALA 114 CO 0.01 0.41 0.34 1.03 0.00 0.00 0.00 175.76 177.55 1mm4 s ARG 115 N -0.31 2.33 -0.73 0.00 0.52 -1.26 -5.03 118.95 114.46 1mm4 s ARG 115 Ca 0.07 -2.17 -0.26 0.00 -0.52 0.00 0.00 55.73 52.85 1mm4 s ARG 115 Cb -0.12 -3.69 -0.11 0.00 0.52 0.00 0.00 34.95 31.55 1mm4 s ARG 115 CO 0.02 -1.13 2.34 -0.51 0.02 0.00 0.00 175.30 176.03 1mm4 s ASP 116 N 1.34 4.19 0.03 0.23 1.11 -1.26 -4.39 116.67 117.92 1mm4 s ASP 116 Ca 0.12 0.20 0.00 0.00 0.18 0.00 0.00 52.55 53.05 1mm4 s ASP 116 Cb -0.22 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1mm4 s ASP 116 CO -0.04 -3.50 0.00 0.59 1.18 0.00 0.00 175.17 173.41 1mm4 n ASN 117 N 17.37 0.02 0.08 0.27 3.02 -1.26 -5.05 115.26 129.73 1mm4 n ASN 117 Ca 0.43 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1mm4 n ASN 117 Cb 0.46 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1mm4 n ASN 117 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1mm4 n TRP 118 N -2.76 -1.16 -4.51 3.10 7.02 -1.26 -5.14 117.44 112.73 1mm4 n TRP 118 Ca 0.00 0.20 -0.24 0.00 -1.02 0.00 0.00 57.50 56.44 1mm4 n TRP 118 Cb 0.13 0.31 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 1mm4 n TRP 118 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1mm4 n ASN 119 N -3.31 1.81 -4.31 -0.99 4.13 -1.26 -5.10 115.26 106.23 1mm4 n ASN 119 Ca 0.00 -2.92 -0.46 0.00 1.68 0.00 0.00 54.58 52.88 1mm4 n ASN 119 Cb 0.00 0.73 -0.04 0.00 -1.54 0.00 0.00 39.78 38.93 1mm4 n ASN 119 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1mm4 s TYR 120 N -2.81 3.52 -0.40 3.10 6.14 -1.26 -4.75 117.35 120.88 1mm4 s TYR 120 Ca 0.13 -1.69 0.02 0.00 0.64 0.00 0.00 57.07 56.16 1mm4 s TYR 120 Cb 0.01 -3.79 0.12 0.00 0.42 0.00 0.00 41.96 38.72 1mm4 s TYR 120 CO 0.09 -1.00 0.19 0.96 0.64 0.00 0.00 175.55 176.43 1mm4 s ILE 121 N 0.84 1.38 0.74 3.14 -4.36 -1.26 -5.12 121.20 116.56 1mm4 s ILE 121 Ca 0.11 -2.30 -0.16 0.00 -0.26 0.00 0.00 60.65 58.05 1mm4 s ILE 121 Cb -0.20 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 1mm4 s ILE 121 CO -0.03 -0.82 0.69 -2.65 0.24 0.00 0.00 174.94 172.37 1mm4 n PRO 122 N 3.89 0.32 -3.84 0.37 -0.02 -1.26 -4.62 135.00 129.83 1mm4 n PRO 122 Ca 0.06 0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 1mm4 n PRO 122 Cb 0.37 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 1mm4 n PRO 122 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mm4 s LEU 123 N -1.45 4.75 0.41 2.45 1.02 0.43 -4.86 118.68 121.43 1mm4 s LEU 123 Ca 0.68 -3.03 -0.24 0.00 0.02 0.00 0.00 54.13 51.55 1mm4 s LEU 123 Cb -0.34 -1.74 -0.08 0.00 0.02 0.00 0.00 46.19 44.05 1mm4 s LEU 123 CO 0.56 -0.27 1.13 -2.16 0.02 0.00 0.00 176.35 175.62 1mm4 s PRO 124 N -0.32 4.05 -0.13 1.29 0.04 -1.24 -2.60 135.00 136.09 1mm4 s PRO 124 Ca 0.18 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1mm4 s PRO 124 Cb -0.22 -2.60 0.06 0.00 0.04 0.00 0.00 34.50 31.79 1mm4 s PRO 124 CO -0.03 -0.29 0.27 0.14 0.04 0.00 0.00 177.00 177.13 1mm4 s VAL 125 N -1.51 -0.39 -0.24 -0.36 -7.23 0.21 -4.91 120.40 105.98 1mm4 s VAL 125 Ca 0.58 0.26 -0.12 0.00 -1.81 0.00 0.00 61.98 60.89 1mm4 s VAL 125 Cb -0.28 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 1mm4 s VAL 125 CO 0.34 0.11 0.25 -0.76 -0.31 0.00 0.00 175.10 174.73 1mm4 s LEU 126 N 2.32 4.09 -0.08 1.32 1.43 -1.26 -0.91 118.68 125.60 1mm4 s LEU 126 Ca 0.00 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1mm4 s LEU 126 Cb -0.12 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1mm4 s LEU 126 CO -0.09 -0.03 0.22 -0.76 0.23 0.00 0.00 176.35 175.93 1mm4 s LEU 127 N 1.41 1.16 0.36 1.79 1.02 -0.98 -4.99 118.68 118.45 1mm4 s LEU 127 Ca 0.11 0.40 -0.18 0.00 0.02 0.00 0.00 54.13 54.48 1mm4 s LEU 127 Cb -0.15 0.78 -0.10 0.00 0.02 0.00 0.00 46.19 46.74 1mm4 s LEU 127 CO 0.07 -0.11 0.82 -2.16 0.02 0.00 0.00 176.35 175.00 1mm4 s PRO 128 N -0.03 4.12 0.39 1.29 0.04 -1.26 -1.91 135.00 137.64 1mm4 s PRO 128 Ca -0.01 0.87 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 1mm4 s PRO 128 Cb -0.02 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 32.20 1mm4 s PRO 128 CO 0.01 0.10 0.76 -0.48 0.04 0.00 0.00 177.00 177.42 1mm4 s LEU 129 N -2.98 0.14 0.30 -3.56 -0.00 -0.91 -2.60 118.68 109.08 1mm4 s LEU 129 Ca 0.56 -1.22 -0.06 0.00 -0.00 0.00 0.00 54.13 53.42 1mm4 s LEU 129 Cb -0.10 2.69 -0.00 0.00 -0.00 0.00 0.00 46.19 48.77 1mm4 s LEU 129 CO 0.16 -1.66 0.45 0.00 -0.00 0.00 0.00 176.35 175.30 1mm4 s ALA 130 N -2.32 0.48 -0.30 1.48 0.00 0.43 -2.60 121.76 118.93 1mm4 s ALA 130 Ca 0.17 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1mm4 s ALA 130 Cb -0.05 1.14 0.14 0.00 0.00 0.00 0.00 23.12 24.36 1mm4 s ALA 130 CO 0.13 -0.80 0.64 0.45 0.00 0.00 0.00 175.76 176.18 1mm4 s SER 131 N -3.16 -1.19 -0.07 0.00 0.15 -1.07 -2.15 113.70 106.21 1mm4 s SER 131 Ca 0.29 1.44 -0.04 0.00 0.70 0.00 0.00 55.95 58.34 1mm4 s SER 131 Cb 0.00 2.28 0.03 0.00 -1.71 0.00 0.00 66.02 66.62 1mm4 s SER 131 CO 0.16 -0.23 0.16 0.54 1.20 0.00 0.00 173.24 175.07 1mm4 s VAL 132 N 2.89 -0.03 -0.05 4.45 0.11 -0.52 -1.95 120.40 125.30 1mm4 s VAL 132 Ca -0.01 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1mm4 s VAL 132 Cb -0.13 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1mm4 s VAL 132 CO -0.19 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 1mm4 n GLY 133 N 3.79 -0.97 3.13 6.54 0.00 -1.03 -2.13 105.19 114.51 1mm4 n GLY 133 Ca -0.22 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 1mm4 n GLY 133 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mm4 s TYR 134 N -3.00 -0.08 0.00 1.61 1.13 -0.74 -2.31 117.35 113.96 1mm4 s TYR 134 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 1mm4 s TYR 134 Cb 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1mm4 s TYR 134 CO 0.00 -0.25 0.00 0.41 -2.51 0.00 0.00 175.55 173.20 1mm4 n GLY 135 N 1.86 1.02 0.00 5.49 0.00 -0.67 -2.48 105.19 110.41 1mm4 n GLY 135 Ca -0.20 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.29 1mm4 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mm4 n PRO 136 N 0.00 0.15 -3.74 1.61 -0.04 -1.26 -4.59 135.00 127.13 1mm4 n PRO 136 Ca 0.00 0.15 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 1mm4 n PRO 136 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1mm4 n PRO 136 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mm4 s VAL 137 N -2.75 4.17 0.02 0.52 0.11 -1.03 -2.30 120.40 119.14 1mm4 s VAL 137 Ca 0.14 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1mm4 s VAL 137 Cb 0.12 -3.09 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 1mm4 s VAL 137 CO 0.30 0.15 -0.05 0.28 -3.33 0.00 0.00 175.10 172.45 1mm4 s THR 138 N 1.55 0.29 -0.02 5.04 -1.32 -1.07 -1.80 115.64 118.32 1mm4 s THR 138 Ca 0.04 -0.75 0.01 0.00 -1.21 0.00 0.00 61.69 59.78 1mm4 s THR 138 Cb -0.17 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1mm4 s THR 138 CO 0.03 -0.31 -0.03 -0.36 -2.21 0.00 0.00 174.62 171.75 1mm4 s PHE 139 N -1.05 3.02 -0.12 9.09 0.08 -0.91 -2.49 117.98 125.59 1mm4 s PHE 139 Ca -0.09 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.03 1mm4 s PHE 139 Cb -0.08 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1mm4 s PHE 139 CO -0.00 0.42 -0.19 -1.14 -0.10 0.00 0.00 175.22 174.21 1mm4 s GLN 140 N -1.35 2.61 0.19 0.44 0.74 -0.93 -1.44 119.66 119.93 1mm4 s GLN 140 Ca 0.17 -0.70 0.06 0.00 0.05 0.00 0.00 55.36 54.94 1mm4 s GLN 140 Cb -0.11 -2.15 -0.04 0.00 1.10 0.00 0.00 33.01 31.80 1mm4 s GLN 140 CO 0.07 -0.04 0.13 -1.64 -0.55 0.00 0.00 175.29 173.27 1mm4 s MET 141 N 0.90 2.84 -0.05 1.67 -1.94 -0.91 -1.62 119.30 120.19 1mm4 s MET 141 Ca -0.07 -0.95 -0.02 0.00 -1.71 0.00 0.00 55.69 52.94 1mm4 s MET 141 Cb -0.15 -2.58 0.03 0.00 2.01 0.00 0.00 34.83 34.14 1mm4 s MET 141 CO -0.02 0.46 0.09 -0.08 -0.01 0.00 0.00 175.02 175.46 1mm4 s THR 142 N -1.85 -0.15 0.17 2.05 -1.32 -0.83 -0.43 115.64 113.28 1mm4 s THR 142 Ca 0.31 0.39 0.03 0.00 -1.21 0.00 0.00 61.69 61.21 1mm4 s THR 142 Cb -0.09 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.67 1mm4 s THR 142 CO 0.23 0.16 0.29 -0.31 -2.21 0.00 0.00 174.62 172.79 1mm4 s TYR 143 N 2.11 3.46 -0.16 9.09 1.51 -1.07 -2.59 117.35 129.71 1mm4 s TYR 143 Ca 0.03 0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.08 1mm4 s TYR 143 Cb -0.12 -1.64 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1mm4 s TYR 143 CO -0.04 0.50 0.16 -1.50 -1.11 0.00 0.00 175.55 173.57 1mm4 s ILE 144 N -1.79 5.42 0.21 2.71 1.10 -1.23 -4.21 121.20 123.42 1mm4 s ILE 144 Ca 0.34 0.27 -0.30 0.00 -0.51 0.00 0.00 60.65 60.45 1mm4 s ILE 144 Cb -0.11 -3.47 -0.09 0.00 0.15 0.00 0.00 42.46 38.94 1mm4 s ILE 144 CO 0.28 0.51 1.28 -2.16 -2.11 0.00 0.00 174.94 172.74 1mm4 s PRO 145 N -0.20 4.41 0.23 3.50 0.04 -1.26 -4.71 135.00 137.02 1mm4 s PRO 145 Ca 0.12 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1mm4 s PRO 145 Cb -0.12 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1mm4 s PRO 145 CO 0.01 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1mm4 n GLY 146 N 2.12 -4.46 2.44 0.56 0.00 -1.26 -5.01 105.19 99.59 1mm4 n GLY 146 Ca 0.05 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1mm4 n GLY 146 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1mm4 n THR 147 N 0.25 -0.97 -2.15 2.61 5.66 -1.26 -5.00 114.28 113.41 1mm4 n THR 147 Ca 0.00 -3.02 -0.42 0.00 -3.05 0.00 0.00 64.05 57.55 1mm4 n THR 147 Cb 0.00 -1.18 -0.03 0.00 -1.55 0.00 0.00 70.33 67.57 1mm4 n THR 147 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1mm4 s TYR 148 N 0.13 2.55 0.00 1.09 -0.85 -1.26 -4.20 117.35 114.81 1mm4 s TYR 148 Ca 0.33 0.61 0.00 0.00 -0.52 0.00 0.00 57.07 57.48 1mm4 s TYR 148 Cb 0.04 -3.75 0.00 0.00 0.38 0.00 0.00 41.96 38.63 1mm4 s TYR 148 CO -0.17 -2.91 0.00 0.09 -1.52 0.00 0.00 175.55 171.04 1mm4 n ASN 149 N 6.06 0.00 -2.40 -0.18 5.03 -1.26 -4.69 115.26 117.82 1mm4 n ASN 149 Ca 0.15 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.59 1mm4 n ASN 149 Cb 0.43 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.20 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1mm4 n ASN 150 N 1.65 -0.88 0.00 6.41 4.13 -1.26 -5.04 115.26 120.27 1mm4 n ASN 150 Ca 0.00 -1.39 0.00 0.00 1.68 0.00 0.00 54.58 54.87 1mm4 n ASN 150 Cb 0.00 1.41 0.00 0.00 -1.54 0.00 0.00 39.78 39.65 1mm4 n ASN 150 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mm4 n GLY 151 N -0.45 1.88 3.57 7.41 0.00 -1.26 -4.97 105.19 111.38 1mm4 n GLY 151 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1mm4 n GLY 151 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm4 s ASN 152 N -2.00 5.32 -0.14 1.61 3.84 -1.26 -4.96 114.94 117.35 1mm4 s ASN 152 Ca 0.00 0.91 -0.15 0.00 0.21 0.00 0.00 52.86 53.83 1mm4 s ASN 152 Cb 0.00 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 38.13 1mm4 s ASN 152 CO 0.00 -2.23 0.35 0.68 -2.79 0.00 0.00 177.10 173.11 1mm4 s VAL 153 N 8.93 5.26 -0.03 -5.21 -7.23 -1.26 -5.04 120.40 115.83 1mm4 s VAL 153 Ca 0.80 0.67 0.03 0.00 -1.81 0.00 0.00 61.98 61.66 1mm4 s VAL 153 Cb -0.18 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1mm4 s VAL 153 CO 0.27 0.38 -0.11 -0.72 -0.31 0.00 0.00 175.10 174.61 1mm4 s TYR 154 N 0.42 1.11 0.29 2.82 -0.85 -1.26 -3.49 117.35 116.39 1mm4 s TYR 154 Ca 0.19 -0.28 0.10 0.00 -0.52 0.00 0.00 57.07 56.57 1mm4 s TYR 154 Cb -0.14 -0.77 -0.05 0.00 0.38 0.00 0.00 41.96 41.39 1mm4 s TYR 154 CO 0.06 -0.10 -0.09 0.12 -1.52 0.00 0.00 175.55 174.02 1mm4 s PHE 155 N 0.10 2.49 -0.01 -3.49 5.36 -1.07 -4.97 117.98 116.40 1mm4 s PHE 155 Ca -0.02 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 1mm4 s PHE 155 Cb -0.09 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.43 1mm4 s PHE 155 CO 0.01 0.64 -0.04 0.00 -1.46 0.00 0.00 175.22 174.36 1mm4 s ALA 156 N -2.45 0.38 0.09 11.12 0.00 -1.26 -1.96 121.76 127.69 1mm4 s ALA 156 Ca 0.31 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.19 1mm4 s ALA 156 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1mm4 s ALA 156 CO 0.18 0.07 -0.15 -1.58 0.00 0.00 0.00 175.76 174.27 1mm4 s TRP 157 N 0.10 1.37 -0.06 0.00 0.52 -0.64 -4.89 118.94 115.33 1mm4 s TRP 157 Ca -0.01 -0.49 -0.16 0.00 0.02 0.00 0.00 56.10 55.47 1mm4 s TRP 157 Cb -0.04 -0.75 -0.05 0.00 -1.15 0.00 0.00 33.47 31.48 1mm4 s TRP 157 CO -0.00 0.11 0.41 -1.64 0.02 0.00 0.00 176.95 175.85 1mm4 s MET 158 N -2.12 4.09 0.00 4.98 -1.94 -1.07 -2.18 119.30 121.07 1mm4 s MET 158 Ca 0.03 0.38 0.03 0.00 -1.71 0.00 0.00 55.69 54.42 1mm4 s MET 158 Cb -0.08 -3.32 -0.01 0.00 2.01 0.00 0.00 34.83 33.43 1mm4 s MET 158 CO 0.03 0.46 -0.11 0.50 -0.01 0.00 0.00 175.02 175.89 1mm4 s ARG 159 N -0.34 0.85 -0.08 2.03 3.52 -1.04 -0.90 118.95 122.99 1mm4 s ARG 159 Ca 0.23 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 1mm4 s ARG 159 Cb -0.16 -0.82 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 1mm4 s ARG 159 CO 0.11 0.22 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.58 1mm4 s PHE 160 N -0.38 2.65 -0.25 5.12 0.40 -0.46 -2.60 117.98 122.46 1mm4 s PHE 160 Ca 0.03 -0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 55.73 1mm4 s PHE 160 Cb -0.05 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1mm4 s PHE 160 CO -0.00 -0.12 0.05 -1.14 0.70 0.00 0.00 175.22 174.71 1mm4 s GLN 161 N -0.12 3.58 0.41 0.44 2.00 -0.97 -1.99 119.66 123.00 1mm4 s GLN 161 Ca -0.03 -0.52 0.04 0.00 -2.00 0.00 0.00 55.36 52.85 1mm4 s GLN 161 Cb -0.14 -3.27 -0.02 0.00 0.80 0.00 0.00 33.01 30.38 1mm4 s GLN 161 CO 0.04 -0.20 0.15 0.12 -0.50 0.00 0.00 175.29 174.89 1mm4 s PHE 162 N 1.59 1.78 0.07 1.67 5.36 -0.64 -4.42 117.98 123.38 1mm4 s PHE 162 Ca 0.06 -1.34 0.05 0.00 -0.96 0.00 0.00 56.93 54.74 1mm4 s PHE 162 Cb -0.15 -1.11 -0.03 0.00 -0.34 0.00 0.00 43.02 41.39 1mm4 s PHE 162 CO 0.02 -0.37 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.77 1mm4 s LEU 163 N -3.59 2.28 -0.49 6.12 1.43 -1.26 -2.59 118.68 120.57 1mm4 s LEU 163 Ca 0.25 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1mm4 s LEU 163 Cb 0.02 -0.48 0.13 0.00 0.03 0.00 0.00 46.19 45.89 1mm4 s LEU 163 CO 0.16 -0.09 0.35 -0.70 0.23 0.00 0.00 176.35 176.30 1mm4 s GLU 164 N -1.72 2.44 0.27 1.70 2.12 -1.26 -4.96 118.70 117.29 1mm4 s GLU 164 Ca -0.03 -1.88 -0.21 0.00 0.36 0.00 0.00 54.97 53.21 1mm4 s GLU 164 Cb -0.10 -3.87 -0.09 0.00 0.26 0.00 0.00 34.13 30.33 1mm4 s GLU 164 CO 0.02 -1.18 0.80 -1.58 -0.54 0.00 0.00 175.26 172.79 1mm4 s HIS 165 N 1.14 3.63 0.00 5.30 2.46 -1.26 -4.85 115.29 121.71 1mm4 s HIS 165 Ca 0.08 1.50 0.00 0.00 0.47 0.00 0.00 55.06 57.11 1mm4 s HIS 165 Cb -0.24 -2.71 0.00 0.00 -0.13 0.00 0.00 32.58 29.49 1mm4 s HIS 165 CO -0.02 0.26 0.00 -2.39 -2.47 0.00 0.00 174.74 170.12 1mm4 n HIS 166 N 0.53 -0.44 -3.48 3.88 -0.00 -1.26 -5.14 115.22 109.31 1mm4 n HIS 166 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1mm4 n HIS 166 Cb 0.51 0.09 -0.02 0.00 -0.00 0.00 0.00 29.99 30.57 1mm4 n HIS 166 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1mm4 s HIS 167 N -1.31 3.49 0.00 -1.40 3.76 -1.26 -5.02 115.29 113.54 1mm4 s HIS 167 Ca 0.00 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 1mm4 s HIS 167 Cb 0.00 -1.89 -0.26 0.00 1.11 0.00 0.00 32.58 31.54 1mm4 s HIS 167 CO 0.00 0.20 0.85 0.45 -0.85 0.00 0.00 174.74 175.39 1mm4 h HIS 168 N 1.13 0.34 -4.32 1.40 3.86 -2.03 -3.46 115.15 112.07 1mm4 h HIS 168 Ca -0.49 -0.25 -0.51 0.00 -1.16 0.00 0.00 60.37 57.96 1mm4 h HIS 168 Cb 1.21 -0.01 0.08 0.00 1.06 0.00 0.00 27.41 29.75 1mm4 h HIS 168 CO 0.52 1.31 0.38 -1.01 0.86 0.00 0.00 177.93 179.99 1mm4 s HIS 169 N -2.62 3.18 -2.52 2.45 3.76 -1.26 -5.28 115.29 113.00 1mm4 s HIS 169 Ca -0.08 1.42 0.20 0.00 -0.15 0.00 0.00 55.06 56.45 1mm4 s HIS 169 Cb 0.07 -2.87 0.16 0.00 1.11 0.00 0.00 32.58 31.05 1mm4 s HIS 169 CO 0.84 -1.12 1.14 0.72 -0.85 0.00 0.00 174.74 175.47