#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm4 s ASN 2 N 0.00 -0.17 0.46 6.12 -0.87 -1.26 -5.01 114.94 114.20 1mm4 s ASN 2 Ca 0.00 -0.43 0.31 0.00 -1.57 0.00 0.00 52.86 51.17 1mm4 s ASN 2 Cb 0.00 0.51 1.57 0.00 -0.02 0.00 0.00 41.25 43.30 1mm4 s ASN 2 CO 0.00 -0.94 1.95 0.00 -2.57 0.00 0.00 177.10 175.54 1mm4 h ALA 3 N 2.00 1.00 0.11 0.60 0.00 -2.06 -0.45 119.26 120.47 1mm4 h ALA 3 Ca -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1mm4 h ALA 3 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mm4 h ALA 3 CO 0.26 0.00 -0.05 -0.44 0.00 0.00 0.00 179.25 179.01 1mm4 h ASP 4 N 0.00 -0.12 0.55 0.00 3.32 -2.01 -3.17 116.42 114.99 1mm4 h ASP 4 Ca 0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1mm4 h ASP 4 Cb 0.15 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1mm4 h ASP 4 CO 0.00 0.46 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.66 1mm4 h GLU 5 N -1.00 0.00 -0.08 3.56 4.81 -1.92 -2.58 114.58 117.37 1mm4 h GLU 5 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1mm4 h GLU 5 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1mm4 h GLU 5 CO 0.02 0.24 -0.20 -1.49 -0.73 0.00 0.00 179.01 176.86 1mm4 h TRP 6 N 0.00 0.13 0.80 0.92 -0.00 -1.18 -2.23 115.95 114.39 1mm4 h TRP 6 Ca -0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.83 1mm4 h TRP 6 Cb 0.58 -0.04 0.01 0.00 -0.00 0.00 0.00 29.16 29.71 1mm4 h TRP 6 CO 0.00 0.32 -0.39 1.98 -0.00 0.00 0.00 178.44 180.35 1mm4 h MET 7 N 0.12 -1.04 -0.76 0.49 4.05 -1.43 0.68 114.93 117.04 1mm4 h MET 7 Ca 0.02 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1mm4 h MET 7 Cb 0.42 0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 31.42 1mm4 h MET 7 CO 0.03 -0.69 0.49 0.00 0.23 0.00 0.00 176.91 176.97 1mm4 h THR 8 N -1.08 1.20 -0.03 -0.77 1.03 -1.65 0.27 112.91 111.88 1mm4 h THR 8 Ca -0.11 -0.38 -0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1mm4 h THR 8 Cb 0.83 0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1mm4 h THR 8 CO 0.18 0.20 0.01 0.74 -0.01 0.00 0.00 175.52 176.63 1mm4 h THR 9 N 1.03 1.20 -0.19 0.00 2.02 -1.29 -2.88 112.91 112.82 1mm4 h THR 9 Ca 0.28 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1mm4 h THR 9 Cb -0.10 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1mm4 h THR 9 CO -0.06 0.16 0.03 0.15 0.37 0.00 0.00 175.52 176.18 1mm4 h PHE 10 N -0.19 0.26 -0.15 3.16 3.04 0.58 -1.70 116.94 121.94 1mm4 h PHE 10 Ca 0.01 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1mm4 h PHE 10 Cb 0.26 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1mm4 h PHE 10 CO 0.01 0.25 0.00 -0.09 -2.02 0.00 0.00 178.31 176.47 1mm4 h ARG 11 N 0.27 0.21 -0.02 1.11 1.12 -0.73 -1.74 114.38 114.60 1mm4 h ARG 11 Ca 0.07 -0.03 -0.16 0.00 -1.11 0.00 0.00 59.98 58.75 1mm4 h ARG 11 Cb 0.13 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 1mm4 h ARG 11 CO -0.00 0.23 -0.74 1.49 -3.11 0.00 0.00 179.97 177.84 1mm4 h GLU 12 N 0.21 0.13 0.17 0.20 4.22 -1.18 -2.45 114.58 115.89 1mm4 h GLU 12 Ca 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1mm4 h GLU 12 Cb 0.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1mm4 h GLU 12 CO 0.00 0.81 -0.08 -0.97 -2.18 0.00 0.00 179.01 176.59 1mm4 h ASN 13 N 0.09 -0.20 -0.52 1.04 -0.73 -1.23 -2.12 115.58 111.91 1mm4 h ASN 13 Ca -0.02 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 57.85 1mm4 h ASN 13 Cb 1.30 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.92 1mm4 h ASN 13 CO 0.11 0.23 0.33 -0.29 -0.37 0.00 0.00 177.43 177.44 1mm4 h ILE 14 N -0.67 1.15 -0.54 2.57 2.10 -1.50 -2.04 117.51 118.57 1mm4 h ILE 14 Ca -0.02 -0.30 0.01 0.00 1.08 0.00 0.00 64.86 65.62 1mm4 h ILE 14 Cb 0.48 0.41 -0.03 0.00 -1.09 0.00 0.00 36.82 36.60 1mm4 h ILE 14 CO 0.04 0.15 0.36 0.00 -1.08 0.00 0.00 178.15 177.61 1mm4 h ALA 15 N 1.17 1.64 0.18 0.18 0.00 -1.48 0.38 119.26 121.33 1mm4 h ALA 15 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1mm4 h ALA 15 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1mm4 h ALA 15 CO -0.04 0.33 -0.09 0.37 0.00 0.00 0.00 179.25 179.82 1mm4 h GLN 16 N 0.71 -0.24 -0.16 0.00 5.75 -0.78 -2.26 115.11 118.14 1mm4 h GLN 16 Ca 0.20 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 1mm4 h GLN 16 Cb -0.05 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1mm4 h GLN 16 CO -0.05 0.10 -0.05 1.79 -2.65 0.00 0.00 178.83 177.97 1mm4 h THR 17 N -0.60 1.14 -0.13 2.39 1.35 -1.14 0.25 112.91 116.16 1mm4 h THR 17 Ca -0.03 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1mm4 h THR 17 Cb 0.45 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1mm4 h THR 17 CO 0.04 0.18 0.03 -0.25 -0.25 0.00 0.00 175.52 175.28 1mm4 h TRP 18 N 0.23 0.21 0.00 4.73 7.01 -0.84 -3.38 115.95 123.90 1mm4 h TRP 18 Ca 0.05 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1mm4 h TRP 18 Cb 0.25 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1mm4 h TRP 18 CO 0.00 0.35 0.00 1.04 -2.79 0.00 0.00 178.44 177.04 1mm4 n GLN 19 N -4.85 0.00 -2.62 2.65 6.02 -0.86 -4.90 117.38 112.81 1mm4 n GLN 19 Ca -0.05 0.26 -0.34 0.00 -0.01 0.00 0.00 57.00 56.86 1mm4 n GLN 19 Cb 0.15 -0.77 -0.04 0.00 1.02 0.00 0.00 30.24 30.59 1mm4 n GLN 19 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1mm4 s GLN 20 N -0.56 3.96 0.03 -1.09 -0.21 0.05 -4.99 119.66 116.85 1mm4 s GLN 20 Ca 0.00 1.31 -0.22 0.00 0.02 0.00 0.00 55.36 56.47 1mm4 s GLN 20 Cb 0.00 -2.17 -0.16 0.00 1.00 0.00 0.00 33.01 31.68 1mm4 s GLN 20 CO 0.00 -0.29 1.37 -1.00 -2.12 0.00 0.00 175.29 173.25 1mm4 h PRO 21 N 1.77 0.21 -4.20 2.91 0.13 -1.81 -3.35 132.00 127.66 1mm4 h PRO 21 Ca -0.49 -0.09 -0.40 0.00 -0.87 0.00 0.00 66.00 64.14 1mm4 h PRO 21 Cb 1.21 -0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 1mm4 h PRO 21 CO 0.60 0.57 -0.57 0.39 -0.23 0.00 0.00 178.00 178.76 1mm4 n GLU 22 N -4.72 -3.90 -1.86 0.86 1.02 -1.26 -4.90 120.64 105.88 1mm4 n GLU 22 Ca -0.07 0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 57.53 1mm4 n GLU 22 Cb 0.28 -5.67 -0.03 0.00 -0.02 0.00 0.00 31.44 25.99 1mm4 n GLU 22 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1mm4 s HIS 23 N -3.10 2.69 -0.40 -0.32 3.76 -1.26 -4.87 115.29 111.79 1mm4 s HIS 23 Ca 0.23 0.38 -0.19 0.00 -0.15 0.00 0.00 55.06 55.33 1mm4 s HIS 23 Cb -0.10 -4.01 0.01 0.00 1.11 0.00 0.00 32.58 29.59 1mm4 s HIS 23 CO 0.28 -3.94 0.53 -0.47 -0.85 0.00 0.00 174.74 170.30 1mm4 s TYR 24 N 1.88 3.14 -0.27 1.40 5.04 -1.06 -4.42 117.35 123.05 1mm4 s TYR 24 Ca 0.74 -0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 55.12 1mm4 s TYR 24 Cb -0.44 -3.06 -0.03 0.00 0.35 0.00 0.00 41.96 38.78 1mm4 s TYR 24 CO 0.33 -0.70 0.45 -0.51 -1.34 0.00 0.00 175.55 173.77 1mm4 s ASP 25 N 1.86 6.34 -0.02 4.32 1.11 -1.01 -0.72 116.67 128.54 1mm4 s ASP 25 Ca 0.18 0.36 0.03 0.00 0.18 0.00 0.00 52.55 53.30 1mm4 s ASP 25 Cb -0.15 -2.25 -0.03 0.00 1.07 0.00 0.00 42.92 41.56 1mm4 s ASP 25 CO 0.15 -0.26 -0.08 -0.22 1.18 0.00 0.00 175.17 175.95 1mm4 s LEU 26 N 2.20 3.12 -0.06 1.23 0.20 -0.81 -2.25 118.68 122.31 1mm4 s LEU 26 Ca 0.18 -0.11 0.06 0.00 0.69 0.00 0.00 54.13 54.94 1mm4 s LEU 26 Cb -0.16 -1.75 -0.01 0.00 -0.43 0.00 0.00 46.19 43.85 1mm4 s LEU 26 CO 0.10 0.31 -0.25 -0.31 -0.29 0.00 0.00 176.35 175.91 1mm4 s TYR 27 N -0.91 2.45 0.03 5.38 1.51 -0.38 -2.07 117.35 123.35 1mm4 s TYR 27 Ca 0.15 -0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1mm4 s TYR 27 Cb -0.11 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1mm4 s TYR 27 CO 0.05 -0.25 0.01 0.96 -1.11 0.00 0.00 175.55 175.22 1mm4 s ILE 28 N -0.09 0.13 0.17 2.71 -4.36 -0.71 -2.31 121.20 116.73 1mm4 s ILE 28 Ca -0.06 -1.10 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1mm4 s ILE 28 Cb -0.14 -0.65 0.04 0.00 1.25 0.00 0.00 42.46 42.96 1mm4 s ILE 28 CO 0.04 -0.60 0.15 -0.81 0.24 0.00 0.00 174.94 173.96 1mm4 n PRO 29 N 1.12 -1.28 -4.17 0.37 -0.04 -1.26 -1.51 135.00 128.23 1mm4 n PRO 29 Ca -0.21 -0.25 -0.15 0.00 -0.04 0.00 0.00 63.50 62.86 1mm4 n PRO 29 Cb 0.57 -0.23 -0.07 0.00 -0.04 0.00 0.00 33.50 33.73 1mm4 n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mm4 s ALA 30 N -3.02 1.12 -0.08 0.55 0.00 -1.26 -4.50 121.76 114.58 1mm4 s ALA 30 Ca 0.10 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 1mm4 s ALA 30 Cb -0.01 1.31 0.03 0.00 0.00 0.00 0.00 23.12 24.45 1mm4 s ALA 30 CO 0.08 -0.71 -0.03 0.96 0.00 0.00 0.00 175.76 176.06 1mm4 s ILE 31 N -3.54 0.57 0.00 0.00 -4.36 -1.26 -4.99 121.20 107.61 1mm4 s ILE 31 Ca 0.35 -0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.71 1mm4 s ILE 31 Cb 0.02 -0.66 0.00 0.00 1.25 0.00 0.00 42.46 43.07 1mm4 s ILE 31 CO 0.20 0.28 0.00 0.35 0.24 0.00 0.00 174.94 176.01 1mm4 n THR 32 N 4.86 0.00 -0.10 8.37 -2.24 -1.26 -4.83 114.28 119.09 1mm4 n THR 32 Ca -0.12 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1mm4 n THR 32 Cb 0.50 -0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1mm4 n THR 32 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1mm4 h TRP 33 N 0.00 0.38 -3.33 4.78 2.91 -2.09 -3.40 115.95 115.20 1mm4 h TRP 33 Ca 0.00 0.01 -0.63 0.00 1.13 0.00 0.00 58.89 59.40 1mm4 h TRP 33 Cb 0.63 -0.12 -0.20 0.00 -0.51 0.00 0.00 29.16 28.96 1mm4 h TRP 33 CO 0.00 0.23 -0.63 -1.58 -1.03 0.00 0.00 178.44 175.43 1mm4 s HIS 34 N -6.16 3.10 -0.31 2.65 2.46 -1.26 -5.08 115.29 110.69 1mm4 s HIS 34 Ca -0.13 -0.20 -0.01 0.00 0.47 0.00 0.00 55.06 55.19 1mm4 s HIS 34 Cb 0.11 -2.03 0.06 0.00 -0.13 0.00 0.00 32.58 30.59 1mm4 s HIS 34 CO 0.71 -0.01 0.02 0.00 -2.47 0.00 0.00 174.74 172.99 1mm4 s ALA 35 N 0.50 2.84 0.00 1.58 0.00 -1.26 -4.89 121.76 120.54 1mm4 s ALA 35 Ca -0.01 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.07 1mm4 s ALA 35 Cb -0.14 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1mm4 s ALA 35 CO 0.02 -1.35 0.00 0.54 0.00 0.00 0.00 175.76 174.97 1mm4 n ARG 36 N 4.59 0.00 -1.44 0.00 1.74 -1.26 -5.16 116.66 115.14 1mm4 n ARG 36 Ca -0.11 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.00 1mm4 n ARG 36 Cb 0.43 -0.48 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 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 -2.44 -3.93 -2.23 -1.55 7.35 -1.26 -4.77 117.46 108.62 1mm4 n PHE 37 Ca 0.00 2.14 -0.42 0.00 -0.76 0.00 0.00 57.45 58.40 1mm4 n PHE 37 Cb 0.26 -3.38 -0.03 0.00 0.35 0.00 0.00 39.48 36.68 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 -5.11 3.55 -0.28 3.13 0.00 -1.26 -5.01 121.76 116.78 1mm4 s ALA 38 Ca 0.00 1.01 0.02 0.00 0.00 0.00 0.00 51.96 52.99 1mm4 s ALA 38 Cb 0.00 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.67 1mm4 s ALA 38 CO 0.00 -0.64 0.00 1.52 0.00 0.00 0.00 175.76 176.65 1mm4 s TYR 39 N 1.36 2.75 0.21 0.00 1.13 -1.26 -5.11 117.35 116.43 1mm4 s TYR 39 Ca 0.63 -2.18 0.10 0.00 -1.41 0.00 0.00 57.07 54.21 1mm4 s TYR 39 Cb -0.34 -2.05 -0.05 0.00 -1.10 0.00 0.00 41.96 38.42 1mm4 s TYR 39 CO 0.29 -0.86 -0.19 -0.51 -2.51 0.00 0.00 175.55 171.77 1mm4 s ASP 40 N 1.26 3.02 0.00 -0.18 1.11 -1.26 -5.03 116.67 115.60 1mm4 s ASP 40 Ca 0.02 -0.94 0.00 0.00 0.18 0.00 0.00 52.55 51.82 1mm4 s ASP 40 Cb -0.19 -0.21 0.00 0.00 1.07 0.00 0.00 42.92 43.60 1mm4 s ASP 40 CO -0.11 -0.02 0.00 1.17 1.18 0.00 0.00 175.17 177.40 1mm4 n LYS 41 N -0.07 0.00 -4.44 8.23 0.00 -1.26 -5.14 118.16 115.47 1mm4 n LYS 41 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 57.99 1mm4 n LYS 41 Cb 0.58 -0.06 -0.10 0.00 0.00 0.00 0.00 35.03 35.45 1mm4 n LYS 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1mm4 s GLU 42 N -1.69 1.58 -0.20 1.64 2.12 -1.26 -5.14 118.70 115.75 1mm4 s GLU 42 Ca 0.00 -1.76 0.01 0.00 0.36 0.00 0.00 54.97 53.58 1mm4 s GLU 42 Cb 0.00 -1.44 0.05 0.00 0.26 0.00 0.00 34.13 33.00 1mm4 s GLU 42 CO 0.00 0.18 -0.08 0.21 -0.54 0.00 0.00 175.26 175.03 1mm4 s LYS 43 N -3.62 1.84 0.25 4.30 2.36 -1.26 -4.90 119.74 118.72 1mm4 s LYS 43 Ca 0.28 -0.83 0.00 0.00 -2.55 0.00 0.00 55.97 52.87 1mm4 s LYS 43 Cb -0.00 -2.40 0.00 0.00 -1.05 0.00 0.00 37.83 34.38 1mm4 s LYS 43 CO 0.12 -0.47 0.00 0.25 1.55 0.00 0.00 175.35 176.80 1mm4 n THR 44 N 4.71 0.00 -0.07 3.43 -2.24 -1.26 -4.98 114.28 113.87 1mm4 n THR 44 Ca -0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1mm4 n THR 44 Cb 0.46 -0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 1mm4 n THR 44 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mm4 n ASP 45 N -3.25 2.67 -1.47 3.42 8.00 -1.26 -5.13 116.55 119.54 1mm4 n ASP 45 Ca 0.00 -0.06 0.13 0.00 0.71 0.00 0.00 54.79 55.57 1mm4 n ASP 45 Cb 0.00 0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 1mm4 n ASP 45 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1mm4 n ARG 46 N -2.79 -3.53 -3.71 -1.24 3.00 -1.26 -4.89 116.66 102.24 1mm4 n ARG 46 Ca -0.24 2.85 -0.36 0.00 -0.00 0.00 0.00 57.85 60.10 1mm4 n ARG 46 Cb 0.80 -3.92 -0.06 0.00 0.00 0.00 0.00 32.46 29.28 1mm4 n ARG 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1mm4 s TYR 47 N -4.59 3.63 0.00 -0.14 1.51 -1.26 -5.05 117.35 111.45 1mm4 s TYR 47 Ca 0.00 0.69 -0.30 0.00 -1.01 0.00 0.00 57.07 56.45 1mm4 s TYR 47 Cb 0.00 -2.07 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 1mm4 s TYR 47 CO 0.00 0.66 1.58 -0.80 -1.11 0.00 0.00 175.55 175.88 1mm4 s ASN 48 N -1.31 6.70 -0.27 2.29 0.01 -1.26 -4.98 114.94 116.11 1mm4 s ASN 48 Ca 0.23 2.28 -0.19 0.00 -0.71 0.00 0.00 52.86 54.47 1mm4 s ASN 48 Cb -0.14 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 1mm4 s ASN 48 CO 0.12 -0.85 0.58 -0.70 -1.51 0.00 0.00 177.10 174.73 1mm4 s GLU 49 N 3.10 4.03 -0.34 -0.60 2.12 -1.26 -5.00 118.70 120.75 1mm4 s GLU 49 Ca 0.71 0.37 0.05 0.00 0.36 0.00 0.00 54.97 56.45 1mm4 s GLU 49 Cb -0.35 -3.67 0.19 0.00 0.26 0.00 0.00 34.13 30.56 1mm4 s GLU 49 CO 0.29 -0.43 0.67 0.50 -0.54 0.00 0.00 175.26 175.75 1mm4 s ARG 50 N 2.44 0.62 1.20 4.30 6.06 -1.26 -5.17 118.95 127.14 1mm4 s ARG 50 Ca 0.24 0.14 -0.18 0.00 -2.50 0.00 0.00 55.73 53.43 1mm4 s ARG 50 Cb -0.15 0.16 0.28 0.00 0.06 0.00 0.00 34.95 35.30 1mm4 s ARG 50 CO 0.10 -1.01 1.07 -1.25 -2.50 0.00 0.00 175.30 171.71 1mm4 s PRO 51 N 2.37 -1.17 -0.41 5.12 0.04 -1.26 -4.98 135.00 134.70 1mm4 s PRO 51 Ca 0.14 0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.38 1mm4 s PRO 51 Cb -0.06 -1.58 0.45 0.00 0.04 0.00 0.00 34.50 33.35 1mm4 s PRO 51 CO -0.17 -3.73 1.44 -2.67 0.04 0.00 0.00 177.00 171.91 1mm4 n TRP 52 N -4.81 2.92 0.00 0.56 2.14 -1.26 -4.93 117.44 112.06 1mm4 n TRP 52 Ca 0.10 -2.49 0.00 0.00 2.07 0.00 0.00 57.50 57.18 1mm4 n TRP 52 Cb 0.59 -0.66 0.00 0.00 -0.81 0.00 0.00 31.31 30.43 1mm4 n TRP 52 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1mm4 n GLY 53 N -0.75 1.32 0.00 -1.67 0.00 -1.26 -3.59 105.19 99.24 1mm4 n GLY 53 Ca 0.49 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1mm4 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm4 n GLY 54 N -1.94 2.31 3.50 -0.02 0.00 -1.07 -4.99 105.19 102.98 1mm4 n GLY 54 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1mm4 n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm4 s GLY 55 N 0.00 1.63 0.02 -0.02 0.00 -0.98 -2.59 107.32 105.37 1mm4 s GLY 55 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 1mm4 s GLY 55 CO 0.00 -1.04 0.38 -0.11 0.00 0.00 0.00 173.10 172.33 1mm4 s PHE 56 N -0.96 -0.24 -0.40 1.90 -0.71 0.10 -1.25 117.98 116.42 1mm4 s PHE 56 Ca 0.16 0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 1mm4 s PHE 56 Cb -0.11 0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1mm4 s PHE 56 CO 0.06 -0.50 0.00 0.41 -1.34 0.00 0.00 175.22 173.85 1mm4 n GLY 57 N 0.80 -0.80 3.38 1.99 0.00 -0.95 -0.42 105.19 109.18 1mm4 n GLY 57 Ca -0.20 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1mm4 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mm4 s LEU 58 N 0.00 1.78 0.03 0.99 2.01 0.01 -2.41 118.68 121.09 1mm4 s LEU 58 Ca 0.00 -1.52 0.03 0.00 0.01 0.00 0.00 54.13 52.65 1mm4 s LEU 58 Cb 0.00 0.03 -0.02 0.00 0.01 0.00 0.00 46.19 46.22 1mm4 s LEU 58 CO 0.00 -0.83 -0.10 -0.94 1.01 0.00 0.00 176.35 175.50 1mm4 s SER 59 N -3.41 1.14 0.02 2.29 1.04 -1.26 -1.98 113.70 111.54 1mm4 s SER 59 Ca 0.34 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1mm4 s SER 59 Cb 0.06 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1mm4 s SER 59 CO 0.16 -0.04 -0.01 -0.13 0.98 0.00 0.00 173.24 174.20 1mm4 s ARG 60 N -1.02 2.68 -0.43 4.02 0.52 -0.89 -4.93 118.95 118.90 1mm4 s ARG 60 Ca -0.02 -0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 54.36 1mm4 s ARG 60 Cb -0.07 -2.60 0.04 0.00 0.52 0.00 0.00 34.95 32.84 1mm4 s ARG 60 CO 0.01 0.60 0.32 -0.46 0.02 0.00 0.00 175.30 175.78 1mm4 s TRP 61 N -1.12 3.25 -0.21 -0.53 -0.00 -1.26 -2.15 118.94 116.91 1mm4 s TRP 61 Ca 0.20 -0.79 -0.23 0.00 -0.00 0.00 0.00 56.10 55.29 1mm4 s TRP 61 Cb -0.11 -2.78 -0.02 0.00 -0.00 0.00 0.00 33.47 30.56 1mm4 s TRP 61 CO 0.12 -0.68 0.72 0.34 -0.00 0.00 0.00 176.95 177.45 1mm4 s ASP 62 N 1.99 6.77 0.35 5.86 -1.08 0.44 -4.92 116.67 126.07 1mm4 s ASP 62 Ca 0.04 0.95 0.25 0.00 -0.52 0.00 0.00 52.55 53.27 1mm4 s ASP 62 Cb -0.21 -2.39 1.24 0.00 -1.46 0.00 0.00 42.92 40.10 1mm4 s ASP 62 CO 0.08 -0.37 1.76 -0.08 0.52 0.00 0.00 175.17 177.08 1mm4 h GLU 63 N 7.54 0.00 -0.89 4.34 4.57 -1.97 -1.98 114.58 126.18 1mm4 h GLU 63 Ca -0.28 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.69 1mm4 h GLU 63 Cb 1.13 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.60 1mm4 h GLU 63 CO 0.81 0.00 0.25 1.17 -1.18 0.00 0.00 179.01 180.06 1mm4 n LYS 64 N -2.37 2.47 -2.77 1.92 4.81 -1.26 -4.86 118.16 116.10 1mm4 n LYS 64 Ca -0.00 -1.96 -0.09 0.00 -0.87 0.00 0.00 58.31 55.39 1mm4 n LYS 64 Cb 0.11 -1.85 0.04 0.00 0.02 0.00 0.00 35.03 33.35 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mm4 n GLY 65 N -0.17 0.15 3.09 3.14 0.00 -0.77 -5.05 105.19 105.57 1mm4 n GLY 65 Ca 0.30 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1mm4 n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm4 s ASN 66 N -3.45 1.31 -0.46 1.61 2.47 -1.08 -4.97 114.94 110.38 1mm4 s ASN 66 Ca 0.09 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1mm4 s ASN 66 Cb -0.04 -0.09 0.13 0.00 -1.45 0.00 0.00 41.25 39.80 1mm4 s ASN 66 CO 0.33 0.03 0.21 0.86 -3.72 0.00 0.00 177.10 174.81 1mm4 s TRP 67 N -0.69 2.89 0.40 0.43 -0.00 -0.93 -0.42 118.94 120.62 1mm4 s TRP 67 Ca 0.01 -2.89 -0.26 0.00 -0.00 0.00 0.00 56.10 52.96 1mm4 s TRP 67 Cb -0.07 -2.55 -0.08 0.00 -0.00 0.00 0.00 33.47 30.77 1mm4 s TRP 67 CO 0.01 -0.79 1.24 -1.58 -0.00 0.00 0.00 176.95 175.82 1mm4 s HIS 68 N 0.15 2.93 -0.18 5.86 2.46 -0.92 -1.60 115.29 123.99 1mm4 s HIS 68 Ca 0.16 1.48 -0.04 0.00 0.47 0.00 0.00 55.06 57.13 1mm4 s HIS 68 Cb -0.24 -3.54 0.06 0.00 -0.13 0.00 0.00 32.58 28.73 1mm4 s HIS 68 CO -0.02 -1.73 0.06 0.20 -2.47 0.00 0.00 174.74 170.78 1mm4 s GLY 69 N -0.93 0.54 -0.13 1.59 0.00 -0.63 -2.09 107.32 105.67 1mm4 s GLY 69 Ca 0.57 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.79 1mm4 s GLY 69 CO 0.44 1.57 -0.16 1.08 0.00 0.00 0.00 173.10 176.02 1mm4 s LEU 70 N 1.99 1.78 -0.01 0.66 1.02 -0.84 -1.75 118.68 121.53 1mm4 s LEU 70 Ca 0.00 -0.48 -0.23 0.00 0.02 0.00 0.00 54.13 53.44 1mm4 s LEU 70 Cb -0.17 -1.19 0.05 0.00 0.02 0.00 0.00 46.19 44.91 1mm4 s LEU 70 CO -0.08 -0.00 0.51 -0.72 0.02 0.00 0.00 176.35 176.07 1mm4 s TYR 71 N 1.17 -0.43 0.27 0.29 -0.85 -0.81 -0.81 117.35 116.18 1mm4 s TYR 71 Ca -0.02 0.64 0.12 0.00 -0.52 0.00 0.00 57.07 57.29 1mm4 s TYR 71 Cb -0.14 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 1mm4 s TYR 71 CO -0.06 -0.55 -0.18 0.00 -1.52 0.00 0.00 175.55 173.24 1mm4 s ALA 72 N -1.64 2.78 0.17 9.51 0.00 0.44 -1.92 121.76 131.10 1mm4 s ALA 72 Ca -0.10 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.05 1mm4 s ALA 72 Cb -0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1mm4 s ALA 72 CO 0.04 0.29 -0.02 1.41 0.00 0.00 0.00 175.76 177.48 1mm4 s MET 73 N -3.47 1.11 -0.07 0.00 1.75 0.38 -0.73 119.30 118.28 1mm4 s MET 73 Ca 0.30 -1.52 -0.06 0.00 -1.25 0.00 0.00 55.69 53.16 1mm4 s MET 73 Cb -0.05 -0.36 0.02 0.00 2.84 0.00 0.00 34.83 37.28 1mm4 s MET 73 CO 0.15 -0.09 0.18 0.00 -0.65 0.00 0.00 175.02 174.61 1mm4 s ALA 74 N -3.58 -0.42 -0.38 4.11 0.00 -1.07 -2.46 121.76 117.97 1mm4 s ALA 74 Ca 0.22 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1mm4 s ALA 74 Cb 0.05 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.90 1mm4 s ALA 74 CO 0.03 -0.10 0.19 0.12 0.00 0.00 0.00 175.76 176.01 1mm4 s PHE 75 N 0.31 3.31 -0.07 0.00 2.19 -1.07 -2.59 117.98 120.06 1mm4 s PHE 75 Ca -0.02 -1.49 -0.22 0.00 0.33 0.00 0.00 56.93 55.53 1mm4 s PHE 75 Cb -0.03 -2.67 -0.04 0.00 -1.31 0.00 0.00 43.02 38.97 1mm4 s PHE 75 CO -0.01 -0.79 0.64 0.21 1.83 0.00 0.00 175.22 177.10 1mm4 s LYS 76 N 1.41 4.41 0.40 10.12 2.36 -1.24 -2.55 119.74 134.65 1mm4 s LYS 76 Ca 0.01 0.78 0.01 0.00 -2.55 0.00 0.00 55.97 54.22 1mm4 s LYS 76 Cb -0.21 -3.44 0.01 0.00 -1.05 0.00 0.00 37.83 33.14 1mm4 s LYS 76 CO 0.02 0.10 0.07 -0.40 1.55 0.00 0.00 175.35 176.70 1mm4 n ASP 77 N 3.70 2.93 0.02 1.43 3.85 -1.26 -4.65 116.55 122.57 1mm4 n ASP 77 Ca -0.03 -2.67 0.11 0.00 -0.71 0.00 0.00 54.79 51.50 1mm4 n ASP 77 Cb 0.51 0.21 0.09 0.00 -1.35 0.00 0.00 41.12 40.58 1mm4 n ASP 77 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1mm4 n SER 78 N -1.38 0.64 -1.14 -1.12 2.88 -1.26 -3.95 113.62 108.29 1mm4 n SER 78 Ca -0.13 -0.32 0.05 0.00 -1.33 0.00 0.00 58.87 57.14 1mm4 n SER 78 Cb 0.50 0.58 0.23 0.00 -0.75 0.00 0.00 64.21 64.77 1mm4 n SER 78 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1mm4 n TRP 79 N -1.74 1.00 -2.98 0.66 -0.00 -1.26 -4.96 117.44 108.15 1mm4 n TRP 79 Ca 0.04 -0.38 -0.13 0.00 -0.00 0.00 0.00 57.50 57.02 1mm4 n TRP 79 Cb 0.38 -0.21 0.01 0.00 -0.00 0.00 0.00 31.31 31.50 1mm4 n TRP 79 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1mm4 n ASN 80 N 0.56 -7.43 -2.70 5.87 3.02 -1.25 -5.03 115.26 108.29 1mm4 n ASN 80 Ca 0.16 0.50 -0.00 0.00 -0.03 0.00 0.00 54.58 55.21 1mm4 n ASN 80 Cb 0.64 -4.50 0.02 0.00 -0.61 0.00 0.00 39.78 35.33 1mm4 n ASN 80 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1mm4 s LYS 81 N -2.41 0.14 -0.06 3.52 2.20 -1.26 -5.06 119.74 116.81 1mm4 s LYS 81 Ca 0.24 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.46 1mm4 s LYS 81 Cb -0.05 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1mm4 s LYS 81 CO 0.77 -0.18 1.09 1.67 -0.36 0.00 0.00 175.35 178.33 1mm4 s TRP 82 N 1.51 3.41 -0.18 4.03 -2.14 -1.26 -4.45 118.94 119.86 1mm4 s TRP 82 Ca 0.18 1.45 -0.20 0.00 2.66 0.00 0.00 56.10 60.19 1mm4 s TRP 82 Cb 0.08 -3.28 -0.03 0.00 -3.10 0.00 0.00 33.47 27.14 1mm4 s TRP 82 CO -0.13 -0.67 0.57 -2.00 -2.66 0.00 0.00 176.95 172.05 1mm4 s GLU 83 N 1.91 4.23 0.24 3.25 2.56 -1.06 -4.88 118.70 124.96 1mm4 s GLU 83 Ca 0.52 0.53 -0.23 0.00 0.00 0.00 0.00 54.97 55.80 1mm4 s GLU 83 Cb -0.22 -3.55 -0.09 0.00 2.00 0.00 0.00 34.13 32.28 1mm4 s GLU 83 CO 0.21 -0.14 0.80 -1.25 -0.56 0.00 0.00 175.26 174.32 1mm4 s PRO 84 N 1.59 4.41 -0.24 4.30 0.04 -1.26 -2.61 135.00 141.23 1mm4 s PRO 84 Ca 0.27 1.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 1mm4 s PRO 84 Cb -0.16 -2.93 0.09 0.00 0.04 0.00 0.00 34.50 31.55 1mm4 s PRO 84 CO 0.10 0.39 0.55 -1.50 0.04 0.00 0.00 177.00 176.58 1mm4 s ILE 85 N -1.48 -0.45 0.23 0.56 1.10 -1.03 -4.54 121.20 115.59 1mm4 s ILE 85 Ca 0.44 0.07 0.09 0.00 -0.51 0.00 0.00 60.65 60.73 1mm4 s ILE 85 Cb -0.18 -0.82 -0.04 0.00 0.15 0.00 0.00 42.46 41.56 1mm4 s ILE 85 CO 0.23 0.03 0.01 0.00 -2.11 0.00 0.00 174.94 173.10 1mm4 s ALA 86 N 2.19 3.21 -0.24 1.50 0.00 -1.07 -0.47 121.76 126.87 1mm4 s ALA 86 Ca -0.07 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 1mm4 s ALA 86 Cb -0.09 -0.89 0.07 0.00 0.00 0.00 0.00 23.12 22.20 1mm4 s ALA 86 CO -0.16 0.34 0.63 0.20 0.00 0.00 0.00 175.76 176.77 1mm4 s GLY 87 N -3.42 -0.51 -0.10 0.00 0.00 -0.81 -1.66 107.32 100.82 1mm4 s GLY 87 Ca 0.30 1.96 -0.07 0.00 0.00 0.00 0.00 44.72 46.90 1mm4 s GLY 87 CO 0.20 1.82 0.25 -2.52 0.00 0.00 0.00 173.10 172.85 1mm4 s TYR 88 N 0.83 -0.30 0.39 1.90 1.13 0.43 -1.93 117.35 119.81 1mm4 s TYR 88 Ca -0.04 0.72 -0.13 0.00 -1.41 0.00 0.00 57.07 56.21 1mm4 s TYR 88 Cb -0.05 0.08 0.05 0.00 -1.10 0.00 0.00 41.96 40.94 1mm4 s TYR 88 CO -0.07 -0.17 0.73 0.20 -2.51 0.00 0.00 175.55 173.74 1mm4 s GLY 89 N 0.53 0.63 -0.06 5.49 0.00 -0.71 -0.49 107.32 112.71 1mm4 s GLY 89 Ca -0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 1mm4 s GLY 89 CO -0.03 -0.46 0.03 -0.98 0.00 0.00 0.00 173.10 171.66 1mm4 s TRP 90 N -2.35 3.20 0.00 1.90 0.51 -0.91 -1.60 118.94 119.70 1mm4 s TRP 90 Ca 0.19 0.20 0.03 0.00 -2.12 0.00 0.00 56.10 54.40 1mm4 s TRP 90 Cb -0.04 -1.77 -0.01 0.00 -0.81 0.00 0.00 33.47 30.84 1mm4 s TRP 90 CO 0.14 0.51 -0.10 -2.00 -0.51 0.00 0.00 176.95 174.99 1mm4 s GLU 91 N -1.18 0.74 -0.13 4.98 2.12 -0.63 -2.07 118.70 122.53 1mm4 s GLU 91 Ca 0.16 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1mm4 s GLU 91 Cb -0.12 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.60 1mm4 s GLU 91 CO 0.06 0.19 -0.12 0.45 -0.54 0.00 0.00 175.26 175.30 1mm4 s SER 92 N -0.45 2.46 -0.05 -1.70 0.15 -0.36 -2.20 113.70 111.55 1mm4 s SER 92 Ca 0.02 -0.41 -0.29 0.00 0.70 0.00 0.00 55.95 55.97 1mm4 s SER 92 Cb -0.05 -1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 1mm4 s SER 92 CO -0.00 -0.08 0.96 0.42 1.20 0.00 0.00 173.24 175.75 1mm4 s THR 93 N 1.53 4.86 0.15 6.45 -4.23 -1.26 -2.12 115.64 121.01 1mm4 s THR 93 Ca 0.04 1.99 0.08 0.00 -1.18 0.00 0.00 61.69 62.62 1mm4 s THR 93 Cb -0.13 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.38 1mm4 s THR 93 CO -0.09 0.11 -0.18 0.86 -0.54 0.00 0.00 174.62 174.78 1mm4 s TRP 94 N 1.37 1.76 -0.45 3.99 -0.00 0.34 -4.93 118.94 121.01 1mm4 s TRP 94 Ca 0.49 -0.47 -0.10 0.00 -0.00 0.00 0.00 56.10 56.02 1mm4 s TRP 94 Cb -0.20 -0.90 0.10 0.00 -0.00 0.00 0.00 33.47 32.48 1mm4 s TRP 94 CO 0.23 0.29 0.32 0.50 -0.00 0.00 0.00 176.95 178.29 1mm4 s ARG 95 N -2.66 2.55 0.18 5.86 3.52 -1.26 -2.35 118.95 124.79 1mm4 s ARG 95 Ca 0.14 -1.64 -0.30 0.00 -0.13 0.00 0.00 55.73 53.79 1mm4 s ARG 95 Cb -0.06 -3.89 -0.08 0.00 -1.56 0.00 0.00 34.95 29.36 1mm4 s ARG 95 CO 0.06 -1.11 1.28 -1.25 -0.81 0.00 0.00 175.30 173.48 1mm4 s PRO 96 N 1.40 4.41 -1.24 5.12 0.04 -1.26 -4.95 135.00 138.52 1mm4 s PRO 96 Ca 0.05 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 1mm4 s PRO 96 Cb -0.25 -3.22 0.10 0.00 0.04 0.00 0.00 34.50 31.18 1mm4 s PRO 96 CO 0.01 -0.23 1.59 -1.17 0.04 0.00 0.00 177.00 177.24 1mm4 s LEU 97 N 0.02 4.27 0.16 -3.56 0.20 -1.26 -4.17 118.68 114.33 1mm4 s LEU 97 Ca 0.57 -2.55 0.00 0.00 0.69 0.00 0.00 54.13 52.84 1mm4 s LEU 97 Cb -0.35 -2.51 0.00 0.00 -0.43 0.00 0.00 46.19 42.89 1mm4 s LEU 97 CO 0.37 -1.05 0.00 0.00 -0.29 0.00 0.00 176.35 175.38 1mm4 n ALA 98 N 7.44 0.00 -1.44 5.97 0.00 -1.26 -5.15 120.51 126.07 1mm4 n ALA 98 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1mm4 n ALA 98 Cb 0.45 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.04 1mm4 n ALA 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mm4 n ASP 99 N -2.74 -0.35 -0.11 0.00 8.00 -1.26 -5.04 116.55 115.05 1mm4 n ASP 99 Ca 0.00 -1.20 -0.19 0.00 0.71 0.00 0.00 54.79 54.10 1mm4 n ASP 99 Cb 0.00 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.39 1mm4 n ASP 99 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1mm4 n GLU 100 N -2.93 0.48 -3.16 -1.24 2.13 -1.26 -4.81 120.64 109.85 1mm4 n GLU 100 Ca 0.10 0.16 -0.21 0.00 0.66 0.00 0.00 57.16 57.88 1mm4 n GLU 100 Cb 0.36 -1.33 -0.04 0.00 0.27 0.00 0.00 31.44 30.70 1mm4 n GLU 100 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1mm4 n ASN 101 N -3.58 1.38 -3.86 4.31 3.02 -1.26 -5.04 115.26 110.23 1mm4 n ASN 101 Ca -0.40 -3.08 -0.30 0.00 -0.03 0.00 0.00 54.58 50.77 1mm4 n ASN 101 Cb 0.84 -0.62 -0.15 0.00 -0.61 0.00 0.00 39.78 39.24 1mm4 n ASN 101 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1mm4 s PHE 102 N -2.38 2.46 0.01 3.10 0.40 -1.26 -4.67 117.98 115.63 1mm4 s PHE 102 Ca 0.41 -2.10 -0.30 0.00 -0.60 0.00 0.00 56.93 54.34 1mm4 s PHE 102 Cb 0.30 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 1mm4 s PHE 102 CO -0.09 -0.87 1.16 -1.01 0.70 0.00 0.00 175.22 175.11 1mm4 s HIS 103 N 1.36 3.39 -0.05 0.36 3.76 -0.91 -4.49 115.29 118.71 1mm4 s HIS 103 Ca 0.06 1.34 -0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1mm4 s HIS 103 Cb -0.18 -3.37 0.03 0.00 1.11 0.00 0.00 32.58 30.16 1mm4 s HIS 103 CO -0.15 -1.08 -0.01 -1.17 -0.85 0.00 0.00 174.74 171.48 1mm4 s LEU 104 N 1.45 0.85 0.11 0.89 0.20 -0.99 -2.59 118.68 118.59 1mm4 s LEU 104 Ca 0.57 -0.07 -0.03 0.00 0.69 0.00 0.00 54.13 55.29 1mm4 s LEU 104 Cb -0.26 -0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 45.09 1mm4 s LEU 104 CO 0.26 -0.15 0.07 -0.83 -0.29 0.00 0.00 176.35 175.42 1mm4 s GLY 105 N 1.55 0.73 0.28 7.98 0.00 -0.82 -0.51 107.32 116.53 1mm4 s GLY 105 Ca -0.02 -1.27 0.10 0.00 0.00 0.00 0.00 44.72 43.53 1mm4 s GLY 105 CO -0.03 -1.25 -0.14 0.48 0.00 0.00 0.00 173.10 172.16 1mm4 s LEU 106 N -2.99 2.59 0.00 0.66 2.34 -0.90 -2.17 118.68 118.21 1mm4 s LEU 106 Ca 0.17 -1.09 0.00 0.00 0.06 0.00 0.00 54.13 53.27 1mm4 s LEU 106 Cb 0.07 -0.90 0.00 0.00 -0.56 0.00 0.00 46.19 44.80 1mm4 s LEU 106 CO -0.02 -0.13 0.00 0.61 -1.06 0.00 0.00 176.35 175.75 1mm4 n GLY 107 N -0.60 -0.72 3.07 -3.48 0.00 -1.07 -1.22 105.19 101.17 1mm4 n GLY 107 Ca -0.06 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 1.87 -0.18 1.61 0.40 -0.88 -0.45 117.98 118.35 1mm4 s PHE 108 Ca 0.00 -0.80 -0.10 0.00 -0.60 0.00 0.00 56.93 55.43 1mm4 s PHE 108 Cb 0.00 -1.34 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 1mm4 s PHE 108 CO 0.00 -0.40 0.14 0.99 0.70 0.00 0.00 175.22 176.65 1mm4 s THR 109 N 0.80 5.42 -0.32 0.64 2.01 -0.04 -2.13 115.64 122.01 1mm4 s THR 109 Ca -0.11 0.22 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1mm4 s THR 109 Cb -0.16 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1mm4 s THR 109 CO 0.02 0.47 0.17 0.00 -0.69 0.00 0.00 174.62 174.58 1mm4 s ALA 110 N 0.13 3.31 -0.25 7.40 0.00 0.35 -1.91 121.76 130.79 1mm4 s ALA 110 Ca 0.10 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 1mm4 s ALA 110 Cb -0.11 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1mm4 s ALA 110 CO -0.01 -0.93 0.20 0.20 0.00 0.00 0.00 175.76 175.22 1mm4 s GLY 111 N 1.62 1.96 -0.06 0.00 0.00 -0.94 -0.43 107.32 109.48 1mm4 s GLY 111 Ca 0.05 -0.94 0.06 0.00 0.00 0.00 0.00 44.72 43.89 1mm4 s GLY 111 CO 0.07 0.56 -0.24 0.14 0.00 0.00 0.00 173.10 173.63 1mm4 s VAL 112 N 1.41 1.95 0.04 1.40 1.01 -0.66 -0.43 120.40 125.12 1mm4 s VAL 112 Ca 0.09 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1mm4 s VAL 112 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1mm4 s VAL 112 CO 0.08 0.54 0.06 0.42 0.00 0.00 0.00 175.10 176.20 1mm4 s THR 113 N -0.11 4.48 0.47 3.92 -4.23 -1.07 -2.59 115.64 116.51 1mm4 s THR 113 Ca -0.04 -0.65 -0.06 0.00 -1.18 0.00 0.00 61.69 59.76 1mm4 s THR 113 Cb -0.13 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1mm4 s THR 113 CO 0.04 0.24 0.79 0.00 -0.54 0.00 0.00 174.62 175.14 1mm4 s ALA 114 N -1.27 3.38 0.29 3.99 0.00 -1.26 -2.37 121.76 124.52 1mm4 s ALA 114 Ca 0.25 -0.43 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 1mm4 s ALA 114 Cb -0.12 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 1mm4 s ALA 114 CO 0.17 -0.30 0.99 -0.98 0.00 0.00 0.00 175.76 175.64 1mm4 s ARG 115 N -4.60 4.63 -0.05 0.00 3.03 -1.26 -4.89 118.95 115.82 1mm4 s ARG 115 Ca 0.48 1.52 0.17 0.00 2.03 0.00 0.00 55.73 59.94 1mm4 s ARG 115 Cb -0.10 -3.02 0.31 0.00 -1.03 0.00 0.00 34.95 31.10 1mm4 s ARG 115 CO 0.43 0.29 1.14 -0.25 -1.13 0.00 0.00 175.30 175.77 1mm4 n ASP 116 N 0.94 0.30 -1.96 -2.89 8.00 -1.26 -4.88 116.55 114.80 1mm4 n ASP 116 Ca 0.00 -2.02 0.02 0.00 0.71 0.00 0.00 54.79 53.51 1mm4 n ASP 116 Cb 0.48 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.54 1mm4 n ASP 116 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mm4 n ASN 117 N 0.09 1.29 -2.51 -2.24 4.13 -1.26 -5.07 115.26 109.68 1mm4 n ASN 117 Ca -0.06 -2.09 -0.04 0.00 1.68 0.00 0.00 54.58 54.07 1mm4 n ASN 117 Cb 0.96 -0.37 -0.04 0.00 -1.54 0.00 0.00 39.78 38.79 1mm4 n ASN 117 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1mm4 n TRP 118 N 0.04 -4.53 -2.43 3.10 7.02 -1.26 -4.84 117.44 114.54 1mm4 n TRP 118 Ca 0.07 2.66 -0.01 0.00 -1.02 0.00 0.00 57.50 59.20 1mm4 n TRP 118 Cb 1.01 -3.89 -0.01 0.00 -2.42 0.00 0.00 31.31 26.00 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 1.71 -7.35 -3.64 -0.99 4.13 -1.26 -5.09 115.26 102.77 1mm4 n ASN 119 Ca -0.32 1.77 -0.06 0.00 1.68 0.00 0.00 54.58 57.64 1mm4 n ASN 119 Cb 0.50 -5.29 -0.07 0.00 -1.54 0.00 0.00 39.78 33.38 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 -0.62 -0.24 0.14 3.10 6.14 -1.26 -5.03 117.35 119.58 1mm4 s TYR 120 Ca -0.07 0.56 -0.30 0.00 0.64 0.00 0.00 57.07 57.90 1mm4 s TYR 120 Cb 0.00 0.43 -0.07 0.00 0.42 0.00 0.00 41.96 42.75 1mm4 s TYR 120 CO 0.20 -0.12 0.97 -1.50 0.64 0.00 0.00 175.55 175.74 1mm4 s ILE 121 N -0.01 4.35 0.95 3.14 1.10 -1.26 -4.54 121.20 124.92 1mm4 s ILE 121 Ca 0.05 2.03 -0.13 0.00 -0.51 0.00 0.00 60.65 62.09 1mm4 s ILE 121 Cb -0.05 -4.30 0.02 0.00 0.15 0.00 0.00 42.46 38.28 1mm4 s ILE 121 CO -0.11 0.35 0.29 -2.65 -2.11 0.00 0.00 174.94 170.72 1mm4 n PRO 122 N 2.48 -0.25 -3.48 3.50 -0.02 -1.26 -4.87 135.00 131.09 1mm4 n PRO 122 Ca 0.01 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 1mm4 n PRO 122 Cb 0.48 -1.77 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 1mm4 n PRO 122 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mm4 s LEU 123 N -0.19 6.17 0.65 2.45 2.96 -1.00 -4.89 118.68 124.84 1mm4 s LEU 123 Ca 0.55 -2.73 -0.15 0.00 -0.22 0.00 0.00 54.13 51.58 1mm4 s LEU 123 Cb -0.21 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.40 1mm4 s LEU 123 CO 0.69 -0.50 1.11 -2.16 -1.32 0.00 0.00 176.35 174.16 1mm4 s PRO 124 N 0.12 2.83 0.10 0.98 0.04 -1.26 -2.60 135.00 135.21 1mm4 s PRO 124 Ca 0.17 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 1mm4 s PRO 124 Cb -0.14 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1mm4 s PRO 124 CO -0.06 -1.23 0.35 0.08 0.04 0.00 0.00 177.00 176.18 1mm4 s VAL 125 N -2.33 0.08 -0.13 -0.36 1.01 0.42 -4.93 120.40 114.17 1mm4 s VAL 125 Ca 0.67 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1mm4 s VAL 125 Cb -0.20 -1.16 0.06 0.00 0.00 0.00 0.00 36.38 35.07 1mm4 s VAL 125 CO 0.41 -0.38 0.14 -0.76 0.00 0.00 0.00 175.10 174.51 1mm4 s LEU 126 N -2.67 0.06 0.01 3.92 1.02 -1.26 -2.22 118.68 117.54 1mm4 s LEU 126 Ca 0.02 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.10 1mm4 s LEU 126 Cb 0.02 0.10 -0.01 0.00 0.02 0.00 0.00 46.19 46.32 1mm4 s LEU 126 CO -0.10 -0.29 -0.06 -0.76 0.02 0.00 0.00 176.35 175.15 1mm4 s LEU 127 N 2.24 2.08 0.24 1.79 1.43 -0.80 -5.01 118.68 120.64 1mm4 s LEU 127 Ca 0.04 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1mm4 s LEU 127 Cb -0.14 -0.25 -0.09 0.00 0.03 0.00 0.00 46.19 45.74 1mm4 s LEU 127 CO -0.08 -0.00 1.11 -2.16 0.23 0.00 0.00 176.35 175.45 1mm4 s PRO 128 N -0.51 4.61 0.33 1.29 0.04 -1.26 -0.86 135.00 138.63 1mm4 s PRO 128 Ca -0.01 1.78 0.03 0.00 0.04 0.00 0.00 61.00 62.84 1mm4 s PRO 128 Cb -0.04 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1mm4 s PRO 128 CO -0.00 0.14 0.12 -0.51 0.04 0.00 0.00 177.00 176.80 1mm4 s LEU 129 N -0.99 1.85 0.21 -3.56 1.02 0.40 -2.59 118.68 115.02 1mm4 s LEU 129 Ca 0.47 -1.53 -0.10 0.00 0.02 0.00 0.00 54.13 52.99 1mm4 s LEU 129 Cb -0.31 -0.02 -0.01 0.00 0.02 0.00 0.00 46.19 45.87 1mm4 s LEU 129 CO 0.39 -0.82 0.35 0.00 0.02 0.00 0.00 176.35 176.29 1mm4 s ALA 130 N -3.46 0.04 -0.09 4.21 0.00 0.08 -2.59 121.76 119.95 1mm4 s ALA 130 Ca 0.33 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1mm4 s ALA 130 Cb 0.05 1.03 0.05 0.00 0.00 0.00 0.00 23.12 24.25 1mm4 s ALA 130 CO 0.16 -0.73 0.17 0.45 0.00 0.00 0.00 175.76 175.81 1mm4 s SER 131 N -3.01 0.57 -0.05 0.00 0.15 -0.92 -1.53 113.70 108.91 1mm4 s SER 131 Ca 0.22 0.36 -0.02 0.00 0.70 0.00 0.00 55.95 57.22 1mm4 s SER 131 Cb 0.02 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1mm4 s SER 131 CO 0.05 -0.23 0.09 -0.69 1.20 0.00 0.00 173.24 173.66 1mm4 s VAL 132 N 2.14 -0.13 -2.81 4.45 1.01 0.07 -1.95 120.40 123.18 1mm4 s VAL 132 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1mm4 s VAL 132 Cb -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1mm4 s VAL 132 CO -0.06 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1mm4 n GLY 133 N 4.98 -1.18 2.98 4.51 0.00 -1.07 -0.64 105.19 114.77 1mm4 n GLY 133 Ca -0.11 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 0.09 0.00 1.61 1.13 -0.10 -2.14 117.35 114.94 1mm4 s TYR 134 Ca 0.00 -0.19 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 1mm4 s TYR 134 Cb 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 1mm4 s TYR 134 CO 0.00 -0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.31 1mm4 n GLY 135 N 2.15 2.08 0.29 5.49 0.00 -1.26 -2.18 105.19 111.75 1mm4 n GLY 135 Ca -0.19 -0.45 0.18 0.00 0.00 0.00 0.00 46.02 45.56 1mm4 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mm4 h PRO 136 N 0.00 0.00 -5.59 1.61 0.13 -1.97 -3.41 132.00 122.77 1mm4 h PRO 136 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 1mm4 h PRO 136 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1mm4 h PRO 136 CO 0.00 0.00 0.23 0.08 -0.23 0.00 0.00 178.00 178.08 1mm4 s VAL 137 N -3.75 4.78 -0.02 1.56 1.01 -0.93 -3.85 120.40 119.20 1mm4 s VAL 137 Ca -0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1mm4 s VAL 137 Cb 0.10 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1mm4 s VAL 137 CO 0.51 -0.54 -0.00 -0.89 0.00 0.00 0.00 175.10 174.18 1mm4 s THR 138 N 2.97 0.17 -0.14 3.92 2.01 -1.07 -0.93 115.64 122.59 1mm4 s THR 138 Ca 0.26 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1mm4 s THR 138 Cb -0.13 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1mm4 s THR 138 CO 0.19 0.13 0.41 -0.36 -0.69 0.00 0.00 174.62 174.29 1mm4 s PHE 139 N 0.82 3.49 -0.28 4.92 0.40 0.18 -1.19 117.98 126.33 1mm4 s PHE 139 Ca -0.08 0.78 -0.06 0.00 -0.60 0.00 0.00 56.93 56.97 1mm4 s PHE 139 Cb -0.11 -2.48 0.00 0.00 0.51 0.00 0.00 43.02 40.94 1mm4 s PHE 139 CO -0.01 0.19 0.05 -0.65 0.70 0.00 0.00 175.22 175.49 1mm4 s GLN 140 N 0.59 3.18 -0.08 0.44 -1.52 0.26 -0.75 119.66 121.78 1mm4 s GLN 140 Ca 0.22 -0.79 -0.17 0.00 -1.95 0.00 0.00 55.36 52.68 1mm4 s GLN 140 Cb -0.14 -3.29 -0.05 0.00 -0.22 0.00 0.00 33.01 29.31 1mm4 s GLN 140 CO 0.08 -0.37 0.44 -1.64 -0.25 0.00 0.00 175.29 173.54 1mm4 s MET 141 N 1.50 4.20 -0.01 2.91 -1.94 -0.58 -0.44 119.30 124.94 1mm4 s MET 141 Ca 0.03 0.41 0.05 0.00 -1.71 0.00 0.00 55.69 54.48 1mm4 s MET 141 Cb -0.16 -3.36 -0.01 0.00 2.01 0.00 0.00 34.83 33.30 1mm4 s MET 141 CO 0.01 0.35 -0.17 0.95 -0.01 0.00 0.00 175.02 176.15 1mm4 s THR 142 N 0.01 1.35 -0.30 2.05 -4.23 -0.25 -0.74 115.64 113.53 1mm4 s THR 142 Ca 0.24 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.93 1mm4 s THR 142 Cb -0.16 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.57 1mm4 s THR 142 CO 0.11 0.35 0.06 -0.47 -0.54 0.00 0.00 174.62 174.13 1mm4 s TYR 143 N -0.45 3.16 -0.29 3.99 6.14 -1.07 -2.52 117.35 126.32 1mm4 s TYR 143 Ca 0.06 -1.20 -0.04 0.00 0.64 0.00 0.00 57.07 56.53 1mm4 s TYR 143 Cb -0.07 -2.22 0.10 0.00 0.42 0.00 0.00 41.96 40.19 1mm4 s TYR 143 CO -0.00 -0.64 0.13 0.96 0.64 0.00 0.00 175.55 176.63 1mm4 s ILE 144 N 1.44 -0.02 0.49 3.14 -4.36 -1.26 -4.55 121.20 116.08 1mm4 s ILE 144 Ca 0.01 -0.80 -0.21 0.00 -0.26 0.00 0.00 60.65 59.38 1mm4 s ILE 144 Cb -0.18 -1.02 -0.07 0.00 1.25 0.00 0.00 42.46 42.45 1mm4 s ILE 144 CO 0.01 -0.73 1.13 -2.16 0.24 0.00 0.00 174.94 173.44 1mm4 s PRO 145 N 2.07 3.64 0.24 0.37 0.04 -1.26 -4.75 135.00 135.35 1mm4 s PRO 145 Ca 0.09 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1mm4 s PRO 145 Cb -0.16 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1mm4 s PRO 145 CO -0.36 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1mm4 n GLY 146 N 0.27 -0.27 3.50 0.56 0.00 -1.26 -5.11 105.19 102.89 1mm4 n GLY 146 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1mm4 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mm4 s THR 147 N -1.92 2.89 -0.46 2.61 2.01 -1.26 -5.03 115.64 114.48 1mm4 s THR 147 Ca 0.00 -1.58 0.03 0.00 0.31 0.00 0.00 61.69 60.46 1mm4 s THR 147 Cb 0.00 -2.35 0.62 0.00 0.01 0.00 0.00 72.50 70.78 1mm4 s THR 147 CO 0.00 0.04 1.90 -1.22 -0.69 0.00 0.00 174.62 174.65 1mm4 n TYR 148 N 0.59 2.98 -2.37 4.92 4.02 -1.26 -4.17 117.16 121.86 1mm4 n TYR 148 Ca -0.14 -1.93 0.04 0.00 -0.01 0.00 0.00 57.90 55.86 1mm4 n TYR 148 Cb 0.53 -0.98 0.04 0.00 -0.02 0.00 0.00 39.34 38.92 1mm4 n TYR 148 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1mm4 n ASN 149 N -1.06 1.08 0.00 7.72 5.15 -1.26 -4.85 115.26 122.04 1mm4 n ASN 149 Ca 0.58 -2.25 0.00 0.00 -0.60 0.00 0.00 54.58 52.31 1mm4 n ASN 149 Cb 1.52 -0.33 0.00 0.00 -0.53 0.00 0.00 39.78 40.44 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1mm4 n ASN 150 N 0.28 1.08 0.00 1.20 3.02 -1.26 -5.07 115.26 114.51 1mm4 n ASN 150 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1mm4 n ASN 150 Cb 1.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 1mm4 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mm4 n GLY 151 N 2.29 1.29 2.41 7.41 0.00 -1.26 -4.93 105.19 112.39 1mm4 n GLY 151 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1mm4 n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mm4 n ASN 152 N 0.00 -6.38 -4.26 1.61 4.13 -1.26 -4.93 115.26 104.18 1mm4 n ASN 152 Ca 0.00 1.66 -0.43 0.00 1.68 0.00 0.00 54.58 57.49 1mm4 n ASN 152 Cb 0.00 -5.16 -0.07 0.00 -1.54 0.00 0.00 39.78 33.01 1mm4 n ASN 152 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1mm4 s VAL 153 N -0.61 4.70 0.07 2.41 1.01 -1.26 -5.06 120.40 121.66 1mm4 s VAL 153 Ca -0.10 -1.76 -0.29 0.00 0.00 0.00 0.00 61.98 59.83 1mm4 s VAL 153 Cb 0.01 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1mm4 s VAL 153 CO 0.26 -0.84 0.94 -0.72 0.00 0.00 0.00 175.10 174.75 1mm4 s TYR 154 N 1.33 3.76 0.32 5.22 -0.85 -1.26 -4.63 117.35 121.24 1mm4 s TYR 154 Ca 0.06 1.73 0.08 0.00 -0.52 0.00 0.00 57.07 58.42 1mm4 s TYR 154 Cb -0.26 -3.04 -0.03 0.00 0.38 0.00 0.00 41.96 39.00 1mm4 s TYR 154 CO 0.00 0.16 0.22 -0.06 -1.52 0.00 0.00 175.55 174.35 1mm4 s PHE 155 N 0.25 2.86 0.09 -3.49 0.40 -1.05 -4.98 117.98 112.07 1mm4 s PHE 155 Ca 0.47 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1mm4 s PHE 155 Cb -0.22 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 1mm4 s PHE 155 CO 0.28 0.31 -0.10 0.00 0.70 0.00 0.00 175.22 176.41 1mm4 s ALA 156 N -2.32 1.04 0.05 5.36 0.00 -1.26 -1.09 121.76 123.54 1mm4 s ALA 156 Ca 0.38 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1mm4 s ALA 156 Cb -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1mm4 s ALA 156 CO 0.25 -0.05 -0.11 -1.58 0.00 0.00 0.00 175.76 174.27 1mm4 s TRP 157 N -2.41 0.93 0.05 0.00 0.52 0.42 -4.72 118.94 113.72 1mm4 s TRP 157 Ca 0.04 -0.44 -0.20 0.00 0.02 0.00 0.00 56.10 55.53 1mm4 s TRP 157 Cb -0.03 -0.54 -0.06 0.00 -1.15 0.00 0.00 33.47 31.69 1mm4 s TRP 157 CO -0.00 -0.01 0.58 -1.64 0.02 0.00 0.00 176.95 175.89 1mm4 s MET 158 N -1.48 4.24 -0.09 4.98 -1.94 -0.57 -0.58 119.30 123.87 1mm4 s MET 158 Ca -0.05 0.73 0.04 0.00 -1.71 0.00 0.00 55.69 54.70 1mm4 s MET 158 Cb -0.09 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.48 1mm4 s MET 158 CO 0.01 0.55 -0.20 0.50 -0.01 0.00 0.00 175.02 175.86 1mm4 s ARG 159 N -0.79 2.58 -0.02 2.03 3.52 -0.33 -1.75 118.95 124.19 1mm4 s ARG 159 Ca 0.30 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 55.18 1mm4 s ARG 159 Cb -0.19 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1mm4 s ARG 159 CO 0.18 0.15 -0.07 0.12 -0.81 0.00 0.00 175.30 174.87 1mm4 s PHE 160 N 0.40 0.78 0.12 5.12 2.19 -0.88 -2.58 117.98 123.13 1mm4 s PHE 160 Ca -0.16 -0.19 -0.23 0.00 0.33 0.00 0.00 56.93 56.68 1mm4 s PHE 160 Cb -0.17 -0.58 -0.07 0.00 -1.31 0.00 0.00 43.02 40.89 1mm4 s PHE 160 CO 0.07 -0.09 0.69 -0.65 1.83 0.00 0.00 175.22 177.07 1mm4 s GLN 161 N 0.24 4.41 0.34 10.12 1.11 -1.25 -1.92 119.66 132.70 1mm4 s GLN 161 Ca -0.03 0.98 0.04 0.00 0.01 0.00 0.00 55.36 56.35 1mm4 s GLN 161 Cb -0.08 -3.26 -0.04 0.00 -1.01 0.00 0.00 33.01 28.63 1mm4 s GLN 161 CO 0.00 0.58 0.15 -0.06 0.01 0.00 0.00 175.29 175.97 1mm4 s PHE 162 N -1.06 1.69 -0.33 0.91 0.08 0.10 -4.99 117.98 114.38 1mm4 s PHE 162 Ca 0.33 -1.33 -0.01 0.00 0.12 0.00 0.00 56.93 56.04 1mm4 s PHE 162 Cb -0.21 -0.97 0.13 0.00 -0.57 0.00 0.00 43.02 41.40 1mm4 s PHE 162 CO 0.23 -0.43 0.19 -1.17 -0.10 0.00 0.00 175.22 173.94 1mm4 s LEU 163 N -3.45 0.83 0.01 -0.37 0.20 -1.26 -2.56 118.68 112.08 1mm4 s LEU 163 Ca 0.33 -1.93 0.01 0.00 0.69 0.00 0.00 54.13 53.22 1mm4 s LEU 163 Cb 0.05 -0.36 -0.01 0.00 -0.43 0.00 0.00 46.19 45.43 1mm4 s LEU 163 CO 0.17 -0.34 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.24 1mm4 s GLU 164 N 1.36 0.29 -0.39 1.98 0.41 -1.26 -5.09 118.70 116.00 1mm4 s GLU 164 Ca 0.16 -0.40 -0.07 0.00 -0.41 0.00 0.00 54.97 54.25 1mm4 s GLU 164 Cb -0.21 -0.10 0.08 0.00 -1.78 0.00 0.00 34.13 32.11 1mm4 s GLU 164 CO -0.09 0.01 0.20 -3.38 -0.49 0.00 0.00 175.26 171.52 1mm4 s HIS 165 N -0.80 3.36 -0.28 1.61 -3.43 -1.26 -4.95 115.29 109.55 1mm4 s HIS 165 Ca -0.07 -1.70 -0.02 0.00 -0.80 0.00 0.00 55.06 52.47 1mm4 s HIS 165 Cb -0.06 -2.82 0.12 0.00 -1.43 0.00 0.00 32.58 28.39 1mm4 s HIS 165 CO -0.00 -0.85 0.24 -1.01 -2.00 0.00 0.00 174.74 171.12 1mm4 s HIS 166 N 1.36 -0.24 0.03 0.38 3.76 -1.26 -5.14 115.29 114.18 1mm4 s HIS 166 Ca 0.02 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1mm4 s HIS 166 Cb -0.22 -0.55 -0.00 0.00 1.11 0.00 0.00 32.58 32.91 1mm4 s HIS 166 CO 0.01 -0.85 0.03 1.58 -0.85 0.00 0.00 174.74 174.67 1mm4 n HIS 167 N 5.30 -0.30 -3.51 1.40 -0.00 -1.26 -5.17 115.22 111.67 1mm4 n HIS 167 Ca -0.04 -0.23 -0.26 0.00 0.46 0.00 0.00 57.72 57.66 1mm4 n HIS 167 Cb 0.46 0.04 -0.02 0.00 -0.12 0.00 0.00 29.99 30.34 1mm4 n HIS 167 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1mm4 s HIS 168 N -3.50 3.49 -0.32 1.57 3.76 -1.26 -5.08 115.29 113.95 1mm4 s HIS 168 Ca 0.03 0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 1mm4 s HIS 168 Cb 0.00 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 1mm4 s HIS 168 CO 0.02 0.24 0.18 -1.01 -0.85 0.00 0.00 174.74 173.32 1mm4 s HIS 169 N -2.10 3.20 0.00 1.40 3.76 -1.26 -5.30 115.29 114.99 1mm4 s HIS 169 Ca 0.40 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1mm4 s HIS 169 Cb -0.10 -2.40 0.00 0.00 1.11 0.00 0.00 32.58 31.19 1mm4 s HIS 169 CO 0.32 -0.43 0.21 1.58 -0.85 0.00 0.00 174.74 175.56