#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 0.20 0.34 7.83 4.13 -1.26 -4.71 115.26 121.79 1mm4 n ASN 2 Ca 0.00 0.19 0.22 0.00 1.68 0.00 0.00 54.58 56.67 1mm4 n ASN 2 Cb 0.00 0.06 1.18 0.00 -1.54 0.00 0.00 39.78 39.48 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mm4 h ALA 3 N 0.00 1.05 0.10 5.41 0.00 -2.06 0.13 119.26 123.90 1mm4 h ALA 3 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mm4 h ALA 3 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mm4 h ALA 3 CO 0.00 -0.03 -0.05 -0.44 0.00 0.00 0.00 179.25 178.73 1mm4 h ASP 4 N 0.00 -0.12 0.47 0.00 5.19 -2.01 -2.99 116.42 116.97 1mm4 h ASP 4 Ca 0.00 -0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.12 1mm4 h ASP 4 Cb 0.06 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1mm4 h ASP 4 CO -0.00 0.47 -0.20 -0.33 -3.12 0.00 0.00 179.24 176.06 1mm4 h GLU 5 N -1.00 0.00 -0.51 3.56 3.07 -1.76 -2.71 114.58 115.23 1mm4 h GLU 5 Ca -0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 1mm4 h GLU 5 Cb 0.36 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1mm4 h GLU 5 CO 0.02 0.20 -0.13 -1.49 -1.40 0.00 0.00 179.01 176.21 1mm4 h TRP 6 N 0.00 1.10 -0.15 4.33 4.06 -0.84 -2.77 115.95 121.68 1mm4 h TRP 6 Ca -0.00 -0.23 -0.00 0.00 2.06 0.00 0.00 58.89 60.72 1mm4 h TRP 6 Cb 0.49 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1mm4 h TRP 6 CO 0.00 1.03 0.09 0.52 -3.56 0.00 0.00 178.44 176.52 1mm4 h MET 7 N 0.87 0.20 -0.10 0.49 2.86 -1.32 -1.22 114.93 116.71 1mm4 h MET 7 Ca 0.13 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1mm4 h MET 7 Cb 0.69 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1mm4 h MET 7 CO 0.05 0.15 -0.27 1.15 1.06 0.00 0.00 176.91 179.05 1mm4 h THR 8 N 0.21 1.24 -0.05 2.22 2.02 -1.52 -2.53 112.91 114.50 1mm4 h THR 8 Ca 0.06 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.01 1mm4 h THR 8 Cb -0.00 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1mm4 h THR 8 CO -0.01 0.33 -0.49 0.74 0.37 0.00 0.00 175.52 176.47 1mm4 h THR 9 N 0.16 1.35 0.42 3.16 2.02 -1.22 -2.43 112.91 116.37 1mm4 h THR 9 Ca 0.02 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.49 1mm4 h THR 9 Cb 0.57 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1mm4 h THR 9 CO 0.04 0.49 -0.20 0.15 0.37 0.00 0.00 175.52 176.37 1mm4 h PHE 10 N 0.10 -0.53 -0.10 3.16 3.57 -1.34 -1.75 116.94 120.04 1mm4 h PHE 10 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1mm4 h PHE 10 Cb 0.90 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1mm4 h PHE 10 CO 0.01 -0.21 0.07 -0.09 -2.23 0.00 0.00 178.31 175.86 1mm4 h ARG 11 N -0.87 0.14 -0.03 1.11 1.12 -1.56 -1.03 114.38 113.26 1mm4 h ARG 11 Ca -0.06 -0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.68 1mm4 h ARG 11 Cb 0.56 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.47 1mm4 h ARG 11 CO 0.10 0.09 -0.55 1.49 -3.11 0.00 0.00 179.97 177.99 1mm4 h GLU 12 N 0.14 0.08 -0.16 0.20 4.81 -1.32 -1.80 114.58 116.54 1mm4 h GLU 12 Ca 0.04 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1mm4 h GLU 12 Cb -0.01 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1mm4 h GLU 12 CO -0.01 0.61 -0.75 -0.97 -0.73 0.00 0.00 179.01 177.16 1mm4 h ASN 13 N 0.06 0.90 -0.23 1.04 -1.24 -0.27 -2.40 115.58 113.44 1mm4 h ASN 13 Ca -0.00 -0.58 -0.13 0.00 0.71 0.00 0.00 56.30 56.30 1mm4 h ASN 13 Cb 0.99 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.78 1mm4 h ASN 13 CO 0.08 1.37 -0.36 0.40 -1.29 0.00 0.00 177.43 177.62 1mm4 h ILE 14 N 0.52 1.32 -0.25 2.57 1.08 -1.36 -2.56 117.51 118.83 1mm4 h ILE 14 Ca -0.04 -1.57 -0.05 0.00 -0.39 0.00 0.00 64.86 62.80 1mm4 h ILE 14 Cb 1.37 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.87 1mm4 h ILE 14 CO 0.15 0.49 -0.08 0.00 -0.69 0.00 0.00 178.15 178.02 1mm4 h ALA 15 N 0.64 1.41 -0.30 1.87 0.00 -1.38 -0.09 119.26 121.40 1mm4 h ALA 15 Ca 0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1mm4 h ALA 15 Cb 0.95 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1mm4 h ALA 15 CO 0.08 0.41 -0.47 0.37 0.00 0.00 0.00 179.25 179.65 1mm4 h GLN 16 N 0.37 0.79 -0.01 0.00 4.15 -1.37 -1.82 115.11 117.22 1mm4 h GLN 16 Ca 0.08 -0.46 -0.18 0.00 0.77 0.00 0.00 58.65 58.86 1mm4 h GLN 16 Cb 0.38 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1mm4 h GLN 16 CO 0.02 1.09 -0.81 1.15 -1.93 0.00 0.00 178.83 178.35 1mm4 h THR 17 N 0.63 1.48 -0.04 2.39 2.02 -1.11 0.07 112.91 118.35 1mm4 h THR 17 Ca 0.03 -2.50 -0.15 0.00 0.77 0.00 0.00 66.41 64.57 1mm4 h THR 17 Cb 1.04 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 1mm4 h THR 17 CO 0.10 0.73 -0.64 -0.50 0.37 0.00 0.00 175.52 175.58 1mm4 h TRP 18 N 0.10 0.19 0.17 3.16 4.06 -0.96 -3.26 115.95 119.41 1mm4 h TRP 18 Ca -0.03 -0.08 -0.34 0.00 2.06 0.00 0.00 58.89 60.50 1mm4 h TRP 18 Cb 1.40 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.54 1mm4 h TRP 18 CO 0.02 0.74 -1.73 -0.56 -3.56 0.00 0.00 178.44 173.35 1mm4 h GLN 19 N 0.10 0.35 -5.77 0.49 3.07 -1.30 -3.47 115.11 108.59 1mm4 h GLN 19 Ca -0.01 -0.60 -0.57 0.00 0.09 0.00 0.00 58.65 57.57 1mm4 h GLN 19 Cb 1.15 0.22 -0.29 0.00 0.08 0.00 0.00 27.48 28.63 1mm4 h GLN 19 CO 0.09 1.25 -0.84 -1.14 0.09 0.00 0.00 178.83 178.29 1mm4 s GLN 20 N -2.58 1.52 0.00 0.06 -0.44 0.00 -5.10 119.66 113.12 1mm4 s GLN 20 Ca -0.15 -0.66 0.00 0.00 -2.50 0.00 0.00 55.36 52.05 1mm4 s GLN 20 Cb 0.06 -1.46 0.00 0.00 -1.64 0.00 0.00 33.01 29.97 1mm4 s GLN 20 CO 0.85 0.40 0.00 -0.35 0.50 0.00 0.00 175.29 176.68 1mm4 n PRO 21 N 2.64 -0.42 0.07 1.67 -0.04 -1.26 -4.04 135.00 133.62 1mm4 n PRO 21 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1mm4 n PRO 21 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1mm4 n PRO 21 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mm4 n GLU 22 N -1.12 0.00 -4.16 0.54 1.02 -1.26 -4.95 120.64 110.71 1mm4 n GLU 22 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1mm4 n GLU 22 Cb 0.00 -0.12 -0.03 0.00 -0.02 0.00 0.00 31.44 31.28 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 -1.59 1.68 0.34 -0.32 3.76 -1.26 -4.75 115.29 113.15 1mm4 s HIS 23 Ca 0.00 -0.88 0.09 0.00 -0.15 0.00 0.00 55.06 54.12 1mm4 s HIS 23 Cb 0.00 -1.82 -0.06 0.00 1.11 0.00 0.00 32.58 31.82 1mm4 s HIS 23 CO 0.00 -0.26 -0.01 -0.47 -0.85 0.00 0.00 174.74 173.15 1mm4 s TYR 24 N -2.81 2.51 -0.10 1.40 5.04 -0.98 -4.84 117.35 117.57 1mm4 s TYR 24 Ca 0.25 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 1mm4 s TYR 24 Cb -0.01 -1.48 0.02 0.00 0.35 0.00 0.00 41.96 40.84 1mm4 s TYR 24 CO 0.15 0.50 -0.10 -0.51 -1.34 0.00 0.00 175.55 174.25 1mm4 s ASP 25 N -3.69 2.05 -0.12 4.32 1.11 -0.62 -2.54 116.67 117.18 1mm4 s ASP 25 Ca 0.34 -0.31 0.02 0.00 0.18 0.00 0.00 52.55 52.78 1mm4 s ASP 25 Cb 0.01 -0.85 0.02 0.00 1.07 0.00 0.00 42.92 43.16 1mm4 s ASP 25 CO 0.19 -0.06 -0.16 -0.22 1.18 0.00 0.00 175.17 176.10 1mm4 s LEU 26 N 1.33 1.75 -0.18 1.23 0.20 -0.26 -1.99 118.68 120.75 1mm4 s LEU 26 Ca -0.02 -0.45 -0.05 0.00 0.69 0.00 0.00 54.13 54.30 1mm4 s LEU 26 Cb -0.14 -1.13 -0.03 0.00 -0.43 0.00 0.00 46.19 44.46 1mm4 s LEU 26 CO -0.04 0.01 0.01 -0.31 -0.29 0.00 0.00 176.35 175.73 1mm4 s TYR 27 N 1.04 3.09 -0.05 5.38 1.51 -0.96 -1.36 117.35 125.99 1mm4 s TYR 27 Ca -0.05 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1mm4 s TYR 27 Cb -0.15 -2.05 0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1mm4 s TYR 27 CO -0.03 -0.08 0.13 -1.50 -1.11 0.00 0.00 175.55 172.97 1mm4 s ILE 28 N 0.67 -0.03 0.77 2.71 2.07 -0.52 -2.27 121.20 124.61 1mm4 s ILE 28 Ca 0.00 0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 59.23 1mm4 s ILE 28 Cb -0.14 -0.21 0.06 0.00 0.13 0.00 0.00 42.46 42.30 1mm4 s ILE 28 CO 0.02 0.04 1.08 -2.16 -1.91 0.00 0.00 174.94 172.01 1mm4 s PRO 29 N 0.62 2.26 -0.50 3.50 0.04 -1.26 -1.69 135.00 137.98 1mm4 s PRO 29 Ca -0.05 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 61.86 1mm4 s PRO 29 Cb -0.06 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1mm4 s PRO 29 CO -0.03 -1.60 0.53 0.00 0.04 0.00 0.00 177.00 175.94 1mm4 s ALA 30 N -2.96 3.47 -0.11 8.56 0.00 -1.26 -4.81 121.76 124.65 1mm4 s ALA 30 Ca 0.61 -1.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 1mm4 s ALA 30 Cb -0.16 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.78 1mm4 s ALA 30 CO 0.56 -1.91 0.64 0.96 0.00 0.00 0.00 175.76 176.01 1mm4 s ILE 31 N 2.19 0.01 -0.08 0.00 -4.36 -1.26 -5.08 121.20 112.62 1mm4 s ILE 31 Ca 0.10 -0.04 -0.03 0.00 -0.26 0.00 0.00 60.65 60.41 1mm4 s ILE 31 Cb -0.22 -0.94 -0.03 0.00 1.25 0.00 0.00 42.46 42.52 1mm4 s ILE 31 CO 0.09 -0.02 -0.10 1.07 0.24 0.00 0.00 174.94 176.22 1mm4 n THR 32 N 1.55 0.42 0.00 8.37 5.66 -1.26 -5.09 114.28 123.94 1mm4 n THR 32 Ca -0.18 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1mm4 n THR 32 Cb 0.56 -1.51 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 1mm4 n THR 32 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 1mm4 n TRP 33 N -3.27 -0.54 -3.65 1.09 -0.00 -1.26 -5.15 117.44 104.65 1mm4 n TRP 33 Ca -0.15 0.02 -0.02 0.00 -0.00 0.00 0.00 57.50 57.35 1mm4 n TRP 33 Cb 0.61 0.14 -0.07 0.00 -0.00 0.00 0.00 31.31 32.00 1mm4 n TRP 33 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1mm4 s HIS 34 N -1.08 -0.06 0.00 5.87 5.04 -1.26 -5.16 115.29 118.64 1mm4 s HIS 34 Ca 0.00 0.15 0.00 0.00 -1.54 0.00 0.00 55.06 53.67 1mm4 s HIS 34 Cb 0.00 0.43 0.00 0.00 0.04 0.00 0.00 32.58 33.05 1mm4 s HIS 34 CO 0.00 -0.03 0.00 0.00 -2.34 0.00 0.00 174.74 172.37 1mm4 n ALA 35 N 1.79 0.00 0.00 1.58 0.00 -1.26 -4.99 120.51 117.63 1mm4 n ALA 35 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1mm4 n ALA 35 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1mm4 n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mm4 n ARG 36 N -1.75 0.00 -2.77 0.00 0.00 -1.26 -5.03 116.66 105.85 1mm4 n ARG 36 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1mm4 n ARG 36 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.53 1mm4 n ARG 36 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1mm4 s PHE 37 N -1.45 1.92 -0.45 -0.14 0.08 -1.26 -5.04 117.98 111.63 1mm4 s PHE 37 Ca 0.00 -0.37 -0.28 0.00 0.12 0.00 0.00 56.93 56.40 1mm4 s PHE 37 Cb 0.00 -2.65 0.03 0.00 -0.57 0.00 0.00 43.02 39.82 1mm4 s PHE 37 CO 0.00 -1.24 1.06 0.00 -0.10 0.00 0.00 175.22 174.93 1mm4 s ALA 38 N -2.84 3.24 -0.13 5.36 0.00 -1.26 -5.01 121.76 121.11 1mm4 s ALA 38 Ca 0.62 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1mm4 s ALA 38 Cb -0.07 -3.77 0.02 0.00 0.00 0.00 0.00 23.12 19.30 1mm4 s ALA 38 CO 0.40 -2.06 -0.13 -0.47 0.00 0.00 0.00 175.76 173.51 1mm4 s TYR 39 N 4.10 1.98 0.06 0.00 5.04 -1.26 -5.13 117.35 122.14 1mm4 s TYR 39 Ca 0.44 -1.07 -0.03 0.00 -2.44 0.00 0.00 57.07 53.97 1mm4 s TYR 39 Cb -0.09 -1.49 -0.05 0.00 0.35 0.00 0.00 41.96 40.69 1mm4 s TYR 39 CO 0.27 -0.61 0.26 0.34 -1.34 0.00 0.00 175.55 174.48 1mm4 s ASP 40 N 1.46 6.42 -0.32 4.32 -1.08 -1.26 -4.76 116.67 121.45 1mm4 s ASP 40 Ca 0.03 0.41 -0.02 0.00 -0.52 0.00 0.00 52.55 52.45 1mm4 s ASP 40 Cb -0.13 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 1mm4 s ASP 40 CO -0.09 0.16 0.09 0.29 0.52 0.00 0.00 175.17 176.14 1mm4 n LYS 41 N 0.46 -3.31 -2.22 4.34 4.01 -1.26 -5.02 118.16 115.16 1mm4 n LYS 41 Ca -0.06 2.68 -0.26 0.00 -0.51 0.00 0.00 58.31 60.16 1mm4 n LYS 41 Cb 0.52 -5.38 0.09 0.00 -0.51 0.00 0.00 35.03 29.75 1mm4 n LYS 41 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1mm4 s GLU 42 N -1.75 1.86 -0.01 1.97 2.12 -1.26 -5.12 118.70 116.51 1mm4 s GLU 42 Ca 0.04 -0.42 -0.19 0.00 0.36 0.00 0.00 54.97 54.75 1mm4 s GLU 42 Cb -0.01 -2.15 0.04 0.00 0.26 0.00 0.00 34.13 32.27 1mm4 s GLU 42 CO 0.77 -1.46 0.42 0.21 -0.54 0.00 0.00 175.26 174.66 1mm4 s LYS 43 N -5.33 0.82 -0.04 4.30 2.47 -1.26 -5.17 119.74 115.53 1mm4 s LYS 43 Ca 0.63 -0.12 -0.03 0.00 -1.56 0.00 0.00 55.97 54.90 1mm4 s LYS 43 Cb -0.09 0.37 -0.04 0.00 -1.46 0.00 0.00 37.83 36.61 1mm4 s LYS 43 CO 0.46 -0.25 0.13 0.99 0.16 0.00 0.00 175.35 176.84 1mm4 s THR 44 N -1.52 5.15 0.02 3.43 2.01 -1.26 -4.98 115.64 118.48 1mm4 s THR 44 Ca -0.11 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1mm4 s THR 44 Cb -0.03 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1mm4 s THR 44 CO 0.04 0.42 0.00 -0.67 -0.69 0.00 0.00 174.62 173.72 1mm4 n ASP 45 N 1.32 0.00 -2.64 3.53 4.64 -1.26 -5.16 116.55 116.99 1mm4 n ASP 45 Ca -0.14 0.03 -0.10 0.00 -1.38 0.00 0.00 54.79 53.20 1mm4 n ASP 45 Cb 0.53 0.02 -0.00 0.00 -1.04 0.00 0.00 41.12 40.63 1mm4 n ASP 45 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1mm4 n ARG 46 N -2.65 0.80 -3.65 -0.67 0.63 -1.26 -5.13 116.66 104.74 1mm4 n ARG 46 Ca 0.00 -2.19 -0.29 0.00 -0.92 0.00 0.00 57.85 54.45 1mm4 n ARG 46 Cb 0.08 2.38 -0.13 0.00 0.45 0.00 0.00 32.46 35.25 1mm4 n ARG 46 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1mm4 s TYR 47 N -3.15 1.74 -0.24 -0.14 1.13 -1.26 -5.10 117.35 110.33 1mm4 s TYR 47 Ca 0.19 -2.30 -0.13 0.00 -1.41 0.00 0.00 57.07 53.42 1mm4 s TYR 47 Cb -0.03 -1.66 -0.04 0.00 -1.10 0.00 0.00 41.96 39.13 1mm4 s TYR 47 CO 0.14 -0.78 0.28 -0.80 -2.51 0.00 0.00 175.55 171.88 1mm4 s ASN 48 N 0.39 6.22 -0.37 -0.18 -0.87 -1.26 -5.06 114.94 113.81 1mm4 s ASN 48 Ca 0.19 0.25 -0.16 0.00 -1.57 0.00 0.00 52.86 51.58 1mm4 s ASN 48 Cb -0.21 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 1mm4 s ASN 48 CO -0.02 -0.05 0.36 -1.83 -2.57 0.00 0.00 177.10 172.99 1mm4 s GLU 49 N 1.49 3.33 0.38 -0.60 -1.05 -1.26 -5.07 118.70 115.92 1mm4 s GLU 49 Ca 0.12 -0.63 -0.21 0.00 -0.15 0.00 0.00 54.97 54.11 1mm4 s GLU 49 Cb -0.15 -3.88 -0.10 0.00 -0.44 0.00 0.00 34.13 29.56 1mm4 s GLU 49 CO 0.08 -0.65 0.90 1.03 0.95 0.00 0.00 175.26 177.57 1mm4 s ARG 50 N 1.97 4.27 1.14 -4.83 0.52 -1.26 -5.04 118.95 115.72 1mm4 s ARG 50 Ca 0.10 1.07 -0.18 0.00 -0.52 0.00 0.00 55.73 56.21 1mm4 s ARG 50 Cb -0.17 -2.40 0.15 0.00 0.52 0.00 0.00 34.95 33.06 1mm4 s ARG 50 CO 0.12 0.09 0.19 -2.30 0.02 0.00 0.00 175.30 173.42 1mm4 n PRO 51 N -0.26 -2.04 -1.14 3.54 -0.02 -1.26 -4.99 135.00 128.84 1mm4 n PRO 51 Ca 0.05 -0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 60.89 1mm4 n PRO 51 Cb 0.53 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1mm4 n PRO 51 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1mm4 n TRP 52 N -4.59 -0.24 0.00 6.00 -0.00 -1.26 -5.08 117.44 112.27 1mm4 n TRP 52 Ca 0.02 -0.56 0.00 0.00 -0.00 0.00 0.00 57.50 56.96 1mm4 n TRP 52 Cb 0.58 0.59 0.00 0.00 -0.00 0.00 0.00 31.31 32.48 1mm4 n TRP 52 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1mm4 n GLY 53 N -0.18 0.24 0.00 5.87 0.00 -1.25 -4.75 105.19 105.11 1mm4 n GLY 53 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 4.14 3.27 3.23 -0.02 0.00 -1.07 -4.98 105.19 109.76 1mm4 n GLY 54 Ca 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 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 0.99 0.02 -0.02 0.00 -0.96 -0.54 107.32 106.81 1mm4 s GLY 55 Ca 0.00 -1.42 -0.17 0.00 0.00 0.00 0.00 44.72 43.14 1mm4 s GLY 55 CO 0.00 -1.51 0.36 -0.11 0.00 0.00 0.00 173.10 171.84 1mm4 s PHE 56 N -3.19 -0.22 -2.06 1.90 -0.71 -0.71 -2.26 117.98 110.74 1mm4 s PHE 56 Ca 0.14 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.26 1mm4 s PHE 56 Cb 0.02 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.98 1mm4 s PHE 56 CO -0.00 -0.49 0.00 0.41 -1.34 0.00 0.00 175.22 173.80 1mm4 n GLY 57 N 0.82 -0.91 3.41 1.99 0.00 -0.84 -0.49 105.19 109.18 1mm4 n GLY 57 Ca -0.20 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 1.88 0.20 0.99 1.43 -0.99 -1.59 118.68 120.60 1mm4 s LEU 58 Ca 0.00 -1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 51.52 1mm4 s LEU 58 Cb 0.00 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 1mm4 s LEU 58 CO 0.00 -0.81 0.25 -0.55 0.23 0.00 0.00 176.35 175.47 1mm4 s SER 59 N -3.46 0.08 0.34 2.29 0.15 -1.26 -1.95 113.70 109.89 1mm4 s SER 59 Ca 0.33 -1.12 -0.05 0.00 0.70 0.00 0.00 55.95 55.81 1mm4 s SER 59 Cb 0.06 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1mm4 s SER 59 CO 0.15 -0.92 0.51 -0.60 1.20 0.00 0.00 173.24 173.59 1mm4 s ARG 60 N -4.06 1.93 -0.21 5.44 6.06 0.45 -4.96 118.95 123.60 1mm4 s ARG 60 Ca 0.28 -1.69 -0.05 0.00 -2.50 0.00 0.00 55.73 51.77 1mm4 s ARG 60 Cb 0.04 0.47 0.07 0.00 0.06 0.00 0.00 34.95 35.59 1mm4 s ARG 60 CO 0.07 -0.81 0.10 1.67 -2.50 0.00 0.00 175.30 173.83 1mm4 s TRP 61 N -3.02 0.22 0.45 5.12 -2.14 -1.26 -2.59 118.94 115.72 1mm4 s TRP 61 Ca 0.28 -0.48 -0.25 0.00 2.66 0.00 0.00 56.10 58.31 1mm4 s TRP 61 Cb -0.01 -0.75 -0.08 0.00 -3.10 0.00 0.00 33.47 29.53 1mm4 s TRP 61 CO 0.18 -0.61 1.40 0.34 -2.66 0.00 0.00 176.95 175.61 1mm4 s ASP 62 N 2.13 5.94 0.48 -2.66 2.15 0.45 -4.85 116.67 120.32 1mm4 s ASP 62 Ca 0.04 2.86 0.32 0.00 0.43 0.00 0.00 52.55 56.20 1mm4 s ASP 62 Cb -0.16 -2.65 1.75 0.00 -0.30 0.00 0.00 42.92 41.56 1mm4 s ASP 62 CO -0.17 -1.13 1.98 1.05 -0.17 0.00 0.00 175.17 176.73 1mm4 h GLU 63 N 2.36 0.00 -0.92 4.34 9.09 -2.01 -1.46 114.58 125.98 1mm4 h GLU 63 Ca -0.51 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 58.75 1mm4 h GLU 63 Cb 1.26 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.27 1mm4 h GLU 63 CO 0.61 0.00 0.20 1.17 0.05 0.00 0.00 179.01 181.04 1mm4 n LYS 64 N -2.63 2.12 -2.87 1.06 4.81 -1.26 -4.86 118.16 114.53 1mm4 n LYS 64 Ca -0.02 -1.50 -0.11 0.00 -0.87 0.00 0.00 58.31 55.81 1mm4 n LYS 64 Cb 0.06 -1.69 0.06 0.00 0.02 0.00 0.00 35.03 33.47 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 -0.07 -0.19 3.21 3.14 0.00 -0.57 -5.05 105.19 105.66 1mm4 n GLY 65 Ca 0.23 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.73 1.65 -0.21 1.61 -0.87 -1.08 -4.62 114.94 107.70 1mm4 s ASN 66 Ca 0.08 -0.89 -0.02 0.00 -1.57 0.00 0.00 52.86 50.46 1mm4 s ASN 66 Cb -0.01 -0.01 0.06 0.00 -0.02 0.00 0.00 41.25 41.27 1mm4 s ASN 66 CO 0.48 -0.28 0.01 0.26 -2.57 0.00 0.00 177.10 175.01 1mm4 s TRP 67 N -2.76 1.41 -0.03 2.20 0.52 -0.92 -0.41 118.94 118.95 1mm4 s TRP 67 Ca 0.10 -1.11 0.05 0.00 0.02 0.00 0.00 56.10 55.16 1mm4 s TRP 67 Cb -0.01 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1mm4 s TRP 67 CO 0.01 -0.66 -0.19 -3.38 0.02 0.00 0.00 176.95 172.74 1mm4 s HIS 68 N 1.73 1.84 -0.17 -1.98 -3.43 -1.07 -1.21 115.29 111.00 1mm4 s HIS 68 Ca -0.02 -0.46 -0.18 0.00 -0.80 0.00 0.00 55.06 53.60 1mm4 s HIS 68 Cb -0.18 -1.21 0.05 0.00 -1.43 0.00 0.00 32.58 29.81 1mm4 s HIS 68 CO -0.08 -0.12 0.49 0.20 -2.00 0.00 0.00 174.74 173.24 1mm4 s GLY 69 N -0.19 -0.37 -0.17 -1.38 0.00 -0.96 -0.41 107.32 103.84 1mm4 s GLY 69 Ca 0.01 1.33 -0.06 0.00 0.00 0.00 0.00 44.72 45.99 1mm4 s GLY 69 CO 0.01 1.12 0.03 0.48 0.00 0.00 0.00 173.10 174.75 1mm4 s LEU 70 N 0.08 3.66 0.04 0.66 2.34 -0.82 -2.59 118.68 122.05 1mm4 s LEU 70 Ca -0.01 0.04 0.06 0.00 0.06 0.00 0.00 54.13 54.27 1mm4 s LEU 70 Cb -0.03 -1.91 -0.02 0.00 -0.56 0.00 0.00 46.19 43.67 1mm4 s LEU 70 CO 0.01 0.19 -0.18 -0.31 -1.06 0.00 0.00 176.35 175.01 1mm4 s TYR 71 N 0.25 1.55 -0.24 3.48 2.02 -1.06 -2.36 117.35 121.00 1mm4 s TYR 71 Ca 0.02 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1mm4 s TYR 71 Cb -0.13 -0.93 0.06 0.00 -0.40 0.00 0.00 41.96 40.56 1mm4 s TYR 71 CO 0.01 0.07 -0.09 0.00 -1.57 0.00 0.00 175.55 173.96 1mm4 s ALA 72 N -0.81 2.31 0.51 3.71 0.00 0.36 -2.45 121.76 125.40 1mm4 s ALA 72 Ca 0.05 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1mm4 s ALA 72 Cb -0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1mm4 s ALA 72 CO 0.02 -1.13 0.79 -1.64 0.00 0.00 0.00 175.76 173.79 1mm4 s MET 73 N 1.23 3.13 -0.05 0.00 -1.94 -0.48 -1.73 119.30 119.45 1mm4 s MET 73 Ca -0.07 -0.12 -0.04 0.00 -1.71 0.00 0.00 55.69 53.75 1mm4 s MET 73 Cb -0.19 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.27 1mm4 s MET 73 CO -0.06 -0.43 0.13 0.00 -0.01 0.00 0.00 175.02 174.65 1mm4 s ALA 74 N -2.78 -0.30 0.18 3.03 0.00 0.30 -1.49 121.76 120.71 1mm4 s ALA 74 Ca 0.50 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.91 1mm4 s ALA 74 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1mm4 s ALA 74 CO 0.43 -0.08 0.22 0.12 0.00 0.00 0.00 175.76 176.45 1mm4 s PHE 75 N 0.27 3.30 -0.27 0.00 2.19 -1.07 -2.59 117.98 119.80 1mm4 s PHE 75 Ca -0.02 0.02 -0.10 0.00 0.33 0.00 0.00 56.93 57.16 1mm4 s PHE 75 Cb -0.03 -1.56 -0.04 0.00 -1.31 0.00 0.00 43.02 40.08 1mm4 s PHE 75 CO -0.01 0.51 0.16 0.21 1.83 0.00 0.00 175.22 177.92 1mm4 s LYS 76 N -3.35 3.86 0.79 10.12 2.36 -1.26 -2.60 119.74 129.66 1mm4 s LYS 76 Ca 0.33 -0.37 -0.13 0.00 -2.55 0.00 0.00 55.97 53.24 1mm4 s LYS 76 Cb -0.10 -3.56 0.19 0.00 -1.05 0.00 0.00 37.83 33.30 1mm4 s LYS 76 CO 0.26 -0.19 0.96 -3.47 1.55 0.00 0.00 175.35 174.46 1mm4 n ASP 77 N 5.02 -0.46 0.09 1.43 4.64 -1.25 -4.98 116.55 121.03 1mm4 n ASP 77 Ca -0.15 -1.26 -0.14 0.00 -1.38 0.00 0.00 54.79 51.86 1mm4 n ASP 77 Cb 0.52 -0.77 -0.10 0.00 -1.04 0.00 0.00 41.12 39.73 1mm4 n ASP 77 CO 0.00 0.00 0.00 -1.28 -0.82 0.00 0.00 177.20 175.10 1mm4 h SER 78 N -1.60 0.41 0.00 1.67 0.87 -1.98 -3.42 113.55 109.49 1mm4 h SER 78 Ca -0.32 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 1mm4 h SER 78 Cb 0.91 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1mm4 h SER 78 CO 0.22 1.26 -0.14 1.87 -0.53 0.00 0.00 176.83 179.52 1mm4 n TRP 79 N -3.60 0.00 -2.67 2.24 -0.00 -1.26 -5.05 117.44 107.10 1mm4 n TRP 79 Ca -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.40 1mm4 n TRP 79 Cb 0.94 -0.07 0.04 0.00 -0.00 0.00 0.00 31.31 32.22 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 -2.88 -1.52 -3.17 5.87 3.02 -1.26 -5.09 115.26 110.22 1mm4 n ASN 80 Ca -0.02 -1.19 -0.20 0.00 -0.03 0.00 0.00 54.58 53.13 1mm4 n ASN 80 Cb 0.07 0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 39.96 1mm4 n ASN 80 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mm4 n LYS 81 N 2.40 0.40 -1.61 3.52 5.02 -1.26 -5.00 118.16 121.62 1mm4 n LYS 81 Ca 0.10 -2.84 -0.40 0.00 -2.02 0.00 0.00 58.31 53.15 1mm4 n LYS 81 Cb 0.66 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1mm4 n LYS 81 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 1mm4 s TRP 82 N 0.05 1.16 0.02 2.13 1.48 -1.26 -3.97 118.94 118.55 1mm4 s TRP 82 Ca 0.33 0.99 -0.30 0.00 -1.06 0.00 0.00 56.10 56.06 1mm4 s TRP 82 Cb 0.07 -3.79 -0.06 0.00 -1.16 0.00 0.00 33.47 28.53 1mm4 s TRP 82 CO -0.16 -3.33 1.49 -1.21 -4.06 0.00 0.00 176.95 169.68 1mm4 s GLU 83 N 7.17 4.25 0.21 3.25 2.02 -1.07 -4.83 118.70 129.70 1mm4 s GLU 83 Ca 0.98 2.10 -0.30 0.00 0.02 0.00 0.00 54.97 57.76 1mm4 s GLU 83 Cb -0.25 -3.59 -0.08 0.00 0.10 0.00 0.00 34.13 30.30 1mm4 s GLU 83 CO 0.31 -0.64 1.07 -1.25 0.02 0.00 0.00 175.26 174.77 1mm4 s PRO 84 N 2.53 4.65 -0.03 0.39 0.04 -1.26 -2.59 135.00 138.72 1mm4 s PRO 84 Ca 0.67 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1mm4 s PRO 84 Cb -0.34 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1mm4 s PRO 84 CO 0.28 0.18 0.06 0.42 0.04 0.00 0.00 177.00 177.99 1mm4 s ILE 85 N -0.59 -0.03 0.04 0.56 -1.09 -0.55 -4.29 121.20 115.25 1mm4 s ILE 85 Ca 0.47 0.11 0.01 0.00 -2.23 0.00 0.00 60.65 59.01 1mm4 s ILE 85 Cb -0.29 -0.11 -0.02 0.00 -1.58 0.00 0.00 42.46 40.45 1mm4 s ILE 85 CO 0.36 0.04 -0.06 0.00 -1.23 0.00 0.00 174.94 174.06 1mm4 s ALA 86 N 0.61 0.42 -0.24 9.38 0.00 -1.07 -1.38 121.76 129.48 1mm4 s ALA 86 Ca -0.05 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1mm4 s ALA 86 Cb -0.07 0.11 0.15 0.00 0.00 0.00 0.00 23.12 23.31 1mm4 s ALA 86 CO -0.02 -0.11 1.15 0.20 0.00 0.00 0.00 175.76 176.97 1mm4 s GLY 87 N -1.74 -0.07 0.07 0.00 0.00 -1.02 -0.46 107.32 104.10 1mm4 s GLY 87 Ca -0.09 2.61 0.03 0.00 0.00 0.00 0.00 44.72 47.26 1mm4 s GLY 87 CO -0.01 1.43 0.07 -0.47 0.00 0.00 0.00 173.10 174.13 1mm4 s TYR 88 N -0.51 3.19 0.00 1.90 5.04 -0.26 -2.56 117.35 124.16 1mm4 s TYR 88 Ca 0.03 0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 54.73 1mm4 s TYR 88 Cb -0.03 -1.64 -0.01 0.00 0.35 0.00 0.00 41.96 40.64 1mm4 s TYR 88 CO -0.05 0.52 0.04 0.20 -1.34 0.00 0.00 175.55 174.92 1mm4 s GLY 89 N -2.28 0.11 -0.03 8.97 0.00 -1.07 -0.62 107.32 112.40 1mm4 s GLY 89 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1mm4 s GLY 89 CO 0.21 -0.34 0.03 0.66 0.00 0.00 0.00 173.10 173.66 1mm4 s TRP 90 N -1.03 0.16 0.07 1.90 -2.14 -0.97 -2.26 118.94 114.68 1mm4 s TRP 90 Ca -0.11 0.12 0.03 0.00 2.66 0.00 0.00 56.10 58.80 1mm4 s TRP 90 Cb -0.07 -0.42 -0.03 0.00 -3.10 0.00 0.00 33.47 29.85 1mm4 s TRP 90 CO -0.00 -0.16 -0.10 -1.21 -2.66 0.00 0.00 176.95 172.83 1mm4 s GLU 91 N 1.55 0.73 -0.14 3.25 2.02 -0.35 -2.19 118.70 123.56 1mm4 s GLU 91 Ca -0.03 -1.00 -0.05 0.00 0.02 0.00 0.00 54.97 53.90 1mm4 s GLU 91 Cb -0.13 -0.47 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 1mm4 s GLU 91 CO -0.03 0.08 0.05 0.45 0.02 0.00 0.00 175.26 175.83 1mm4 s SER 92 N -2.09 5.60 0.31 -0.19 0.15 -0.73 -2.16 113.70 114.59 1mm4 s SER 92 Ca -0.00 0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 1mm4 s SER 92 Cb -0.06 -1.81 -0.10 0.00 -1.71 0.00 0.00 66.02 62.34 1mm4 s SER 92 CO 0.00 0.29 1.15 0.42 1.20 0.00 0.00 173.24 176.30 1mm4 s THR 93 N -0.31 3.29 -0.14 6.45 -4.23 -1.26 -2.45 115.64 116.98 1mm4 s THR 93 Ca 0.08 1.26 -0.15 0.00 -1.18 0.00 0.00 61.69 61.70 1mm4 s THR 93 Cb -0.12 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.98 1mm4 s THR 93 CO 0.02 0.27 0.43 0.86 -0.54 0.00 0.00 174.62 175.65 1mm4 s TRP 94 N -1.21 -0.45 -0.02 3.99 -0.00 -0.72 -4.98 118.94 115.54 1mm4 s TRP 94 Ca 0.47 1.07 0.02 0.00 -0.00 0.00 0.00 56.10 57.67 1mm4 s TRP 94 Cb -0.33 0.16 0.00 0.00 -0.00 0.00 0.00 33.47 33.30 1mm4 s TRP 94 CO 0.43 -0.25 -0.08 0.50 -0.00 0.00 0.00 176.95 177.54 1mm4 s ARG 95 N 0.04 0.82 0.00 5.86 3.00 -1.26 -1.89 118.95 125.53 1mm4 s ARG 95 Ca -0.02 -0.28 0.00 0.00 -1.00 0.00 0.00 55.73 54.44 1mm4 s ARG 95 Cb -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 34.95 34.14 1mm4 s ARG 95 CO 0.01 0.12 0.84 -0.35 0.00 0.00 0.00 175.30 175.92 1mm4 n PRO 96 N 3.20 0.00 -1.38 5.12 -0.04 -1.26 -4.85 135.00 135.78 1mm4 n PRO 96 Ca -0.17 0.35 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1mm4 n PRO 96 Cb 0.55 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.69 1mm4 n PRO 96 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1mm4 n LEU 97 N -1.53 -0.39 -2.50 1.53 0.00 -1.26 -4.97 117.00 107.88 1mm4 n LEU 97 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 56.01 54.54 1mm4 n LEU 97 Cb 0.00 0.44 -0.00 0.00 0.00 0.00 0.00 43.42 43.86 1mm4 n LEU 97 CO 0.00 1.06 -0.23 0.00 0.00 0.00 0.00 177.39 178.22 1mm4 n ALA 98 N -0.29 -0.68 -0.08 1.96 0.00 -1.26 -4.87 120.51 115.30 1mm4 n ALA 98 Ca -0.07 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1mm4 n ALA 98 Cb 0.53 -2.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.37 1mm4 n ALA 98 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mm4 n ASP 99 N -2.10 1.04 -0.03 0.00 4.64 -1.26 -4.49 116.55 114.36 1mm4 n ASP 99 Ca -0.23 0.08 0.04 0.00 -1.38 0.00 0.00 54.79 53.30 1mm4 n ASP 99 Cb 0.68 0.12 -0.14 0.00 -1.04 0.00 0.00 41.12 40.74 1mm4 n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1mm4 n GLU 100 N -3.06 0.75 -2.37 -0.67 -0.58 -1.26 -5.00 120.64 108.45 1mm4 n GLU 100 Ca -0.33 -0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.14 1mm4 n GLU 100 Cb 1.07 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 30.51 1mm4 n GLU 100 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mm4 n ASN 101 N -2.28 -4.51 -4.03 1.62 2.85 -1.26 -5.00 115.26 102.65 1mm4 n ASN 101 Ca -0.10 -0.05 -0.27 0.00 -0.11 0.00 0.00 54.58 54.05 1mm4 n ASN 101 Cb 0.64 -3.61 -0.17 0.00 1.24 0.00 0.00 39.78 37.88 1mm4 n ASN 101 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1mm4 s PHE 102 N -2.78 1.72 0.03 1.20 0.08 -1.26 -4.90 117.98 112.07 1mm4 s PHE 102 Ca 0.04 -0.74 -0.30 0.00 0.12 0.00 0.00 56.93 56.04 1mm4 s PHE 102 Cb -0.02 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 1mm4 s PHE 102 CO 0.05 -0.39 1.15 -1.58 -0.10 0.00 0.00 175.22 174.34 1mm4 s HIS 103 N 0.92 3.45 -0.16 0.36 2.46 -0.83 -4.76 115.29 116.72 1mm4 s HIS 103 Ca -0.09 1.38 0.01 0.00 0.47 0.00 0.00 55.06 56.83 1mm4 s HIS 103 Cb -0.15 -3.35 0.02 0.00 -0.13 0.00 0.00 32.58 28.97 1mm4 s HIS 103 CO 0.00 -0.98 -0.16 -1.17 -2.47 0.00 0.00 174.74 169.96 1mm4 s LEU 104 N 1.26 1.83 0.30 8.88 0.20 -0.79 -2.23 118.68 128.13 1mm4 s LEU 104 Ca 0.57 -0.54 0.09 0.00 0.69 0.00 0.00 54.13 54.93 1mm4 s LEU 104 Cb -0.27 -1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 44.17 1mm4 s LEU 104 CO 0.28 -0.04 0.05 -0.83 -0.29 0.00 0.00 176.35 175.52 1mm4 s GLY 105 N 1.42 1.81 -0.10 7.98 0.00 0.43 -1.76 107.32 117.11 1mm4 s GLY 105 Ca 0.05 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 42.97 1mm4 s GLY 105 CO -0.11 -1.75 0.21 1.08 0.00 0.00 0.00 173.10 172.52 1mm4 s LEU 106 N -3.74 0.24 0.00 0.66 1.43 -1.03 -2.24 118.68 114.00 1mm4 s LEU 106 Ca 0.34 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1mm4 s LEU 106 Cb -0.04 0.56 0.00 0.00 0.03 0.00 0.00 46.19 46.74 1mm4 s LEU 106 CO 0.21 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1mm4 n GLY 107 N 4.66 2.39 3.10 -3.19 0.00 -0.94 -1.78 105.19 109.43 1mm4 n GLY 107 Ca -0.18 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.83 0.81 -0.21 1.61 0.40 -0.93 -1.24 117.98 115.59 1mm4 s PHE 108 Ca 0.00 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1mm4 s PHE 108 Cb 0.00 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 43.08 1mm4 s PHE 108 CO 0.00 -0.06 -0.15 -0.08 0.70 0.00 0.00 175.22 175.63 1mm4 s THR 109 N -1.67 2.36 -0.15 0.64 -1.32 -0.71 -2.28 115.64 112.51 1mm4 s THR 109 Ca -0.05 -0.99 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 1mm4 s THR 109 Cb -0.08 -2.09 0.02 0.00 -1.51 0.00 0.00 72.50 68.84 1mm4 s THR 109 CO 0.00 0.40 -0.15 0.00 -2.21 0.00 0.00 174.62 172.66 1mm4 s ALA 110 N 1.29 1.88 0.00 11.08 0.00 0.21 -2.58 121.76 133.65 1mm4 s ALA 110 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1mm4 s ALA 110 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1mm4 s ALA 110 CO -0.09 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1mm4 n GLY 111 N 4.71 3.04 3.11 0.00 0.00 -1.07 -1.10 105.19 113.88 1mm4 n GLY 111 Ca -0.17 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 1mm4 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mm4 s VAL 112 N -2.49 1.22 0.08 1.61 -7.23 0.39 -2.28 120.40 111.70 1mm4 s VAL 112 Ca 0.00 -0.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1mm4 s VAL 112 Cb 0.00 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1mm4 s VAL 112 CO 0.00 0.35 -0.07 0.28 -0.31 0.00 0.00 175.10 175.35 1mm4 s THR 113 N -0.15 0.66 -0.10 5.32 -1.32 -1.07 -2.60 115.64 116.38 1mm4 s THR 113 Ca 0.01 -1.65 -0.05 0.00 -1.21 0.00 0.00 61.69 58.80 1mm4 s THR 113 Cb -0.08 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 1mm4 s THR 113 CO 0.00 -0.70 0.08 0.00 -2.21 0.00 0.00 174.62 171.79 1mm4 s ALA 114 N -2.86 3.61 0.62 11.08 0.00 -1.26 -2.23 121.76 130.73 1mm4 s ALA 114 Ca 0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1mm4 s ALA 114 Cb 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.40 1mm4 s ALA 114 CO -0.03 0.61 0.93 1.03 0.00 0.00 0.00 175.76 178.30 1mm4 s ARG 115 N -0.99 2.72 -0.02 0.00 0.52 -1.26 -5.03 118.95 114.90 1mm4 s ARG 115 Ca 0.14 -0.07 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 1mm4 s ARG 115 Cb -0.12 -2.24 -0.06 0.00 0.52 0.00 0.00 34.95 33.05 1mm4 s ARG 115 CO 0.04 -0.85 0.64 -0.44 0.02 0.00 0.00 175.30 174.71 1mm4 h ASP 116 N -0.30 -0.35 -2.07 0.23 3.32 -2.03 -3.43 116.42 111.79 1mm4 h ASP 116 Ca -0.45 0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.04 1mm4 h ASP 116 Cb 1.27 0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.92 1mm4 h ASP 116 CO 0.60 -0.08 1.42 -3.20 -1.72 0.00 0.00 179.24 176.26 1mm4 n ASN 117 N -4.06 3.51 -1.25 6.45 5.15 -1.26 -4.70 115.26 119.11 1mm4 n ASN 117 Ca -0.05 0.41 0.12 0.00 -0.60 0.00 0.00 54.58 54.45 1mm4 n ASN 117 Cb 0.16 -1.54 -0.03 0.00 -0.53 0.00 0.00 39.78 37.84 1mm4 n ASN 117 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1mm4 n TRP 118 N 10.47 -2.97 -3.15 1.20 5.03 -1.26 -4.96 117.44 121.80 1mm4 n TRP 118 Ca 0.27 1.07 0.05 0.00 3.03 0.00 0.00 57.50 61.93 1mm4 n TRP 118 Cb 0.43 -1.87 -0.01 0.00 -1.03 0.00 0.00 31.31 28.83 1mm4 n TRP 118 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 1mm4 s ASN 119 N -5.86 -0.50 0.00 -0.99 3.84 -1.26 -4.64 114.94 105.52 1mm4 s ASN 119 Ca 0.00 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.25 1mm4 s ASN 119 Cb 0.00 1.37 0.00 0.00 -0.55 0.00 0.00 41.25 42.07 1mm4 s ASN 119 CO 0.00 -0.09 0.00 0.00 -2.79 0.00 0.00 177.10 174.22 1mm4 n TYR 120 N 5.31 -1.14 -3.78 0.43 4.11 -1.26 -5.12 117.16 115.71 1mm4 n TYR 120 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.56 1mm4 n TYR 120 Cb 0.55 0.33 -0.05 0.00 -0.00 0.00 0.00 39.34 40.17 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.86 177.82 1mm4 s ILE 121 N -1.66 5.34 0.55 -3.48 -4.36 -1.26 -5.09 121.20 111.23 1mm4 s ILE 121 Ca 0.00 0.22 -0.17 0.00 -0.26 0.00 0.00 60.65 60.43 1mm4 s ILE 121 Cb 0.00 -3.54 -0.06 0.00 1.25 0.00 0.00 42.46 40.12 1mm4 s ILE 121 CO 0.00 0.45 1.04 -2.16 0.24 0.00 0.00 174.94 174.51 1mm4 s PRO 122 N -1.53 3.55 -0.60 0.37 0.04 -1.26 -4.84 135.00 130.73 1mm4 s PRO 122 Ca 0.24 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1mm4 s PRO 122 Cb -0.13 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.49 1mm4 s PRO 122 CO 0.13 -0.63 0.38 -1.17 0.04 0.00 0.00 177.00 175.76 1mm4 s LEU 123 N -4.12 4.77 0.24 -3.56 2.96 -0.94 -4.98 118.68 113.04 1mm4 s LEU 123 Ca 0.64 -3.09 -0.30 0.00 -0.22 0.00 0.00 54.13 51.16 1mm4 s LEU 123 Cb -0.15 -1.73 -0.09 0.00 0.50 0.00 0.00 46.19 44.71 1mm4 s LEU 123 CO 0.31 -0.26 1.31 -2.16 -1.32 0.00 0.00 176.35 174.22 1mm4 s PRO 124 N -0.40 4.39 -0.04 0.98 0.04 -1.26 -2.59 135.00 136.12 1mm4 s PRO 124 Ca 0.18 2.10 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 1mm4 s PRO 124 Cb -0.21 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.20 1mm4 s PRO 124 CO -0.03 -0.22 0.02 0.14 0.04 0.00 0.00 177.00 176.95 1mm4 s VAL 125 N -0.27 0.08 -0.14 -0.36 -7.23 -0.97 -5.02 120.40 106.49 1mm4 s VAL 125 Ca 0.54 0.22 -0.01 0.00 -1.81 0.00 0.00 61.98 60.93 1mm4 s VAL 125 Cb -0.38 -0.24 0.03 0.00 0.56 0.00 0.00 36.38 36.36 1mm4 s VAL 125 CO 0.42 0.17 -0.05 -1.48 -0.31 0.00 0.00 175.10 173.84 1mm4 s LEU 126 N 1.55 1.32 -0.06 1.32 2.34 -1.26 -2.58 118.68 121.32 1mm4 s LEU 126 Ca -0.03 -0.47 -0.05 0.00 0.06 0.00 0.00 54.13 53.64 1mm4 s LEU 126 Cb -0.13 -0.83 0.01 0.00 -0.56 0.00 0.00 46.19 44.69 1mm4 s LEU 126 CO -0.03 -0.16 0.15 -0.76 -1.06 0.00 0.00 176.35 174.49 1mm4 s LEU 127 N 1.70 1.41 0.65 1.48 1.43 -1.06 -4.97 118.68 119.32 1mm4 s LEU 127 Ca 0.03 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1mm4 s LEU 127 Cb -0.14 0.53 -0.01 0.00 0.03 0.00 0.00 46.19 46.60 1mm4 s LEU 127 CO -0.08 -0.06 1.05 -2.16 0.23 0.00 0.00 176.35 175.34 1mm4 s PRO 128 N 0.07 3.12 0.36 1.29 0.04 -1.24 -1.74 135.00 136.91 1mm4 s PRO 128 Ca -0.00 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 61.94 1mm4 s PRO 128 Cb -0.01 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1mm4 s PRO 128 CO 0.00 -0.95 0.72 -0.48 0.04 0.00 0.00 177.00 176.33 1mm4 s LEU 129 N -5.12 0.16 -0.14 -3.56 -0.00 -0.37 -1.58 118.68 108.07 1mm4 s LEU 129 Ca 0.60 -1.14 -0.07 0.00 -0.00 0.00 0.00 54.13 53.51 1mm4 s LEU 129 Cb -0.14 2.57 0.05 0.00 -0.00 0.00 0.00 46.19 48.67 1mm4 s LEU 129 CO 0.48 -1.57 0.34 0.00 -0.00 0.00 0.00 176.35 175.59 1mm4 s ALA 130 N -2.66 -0.84 -0.30 1.48 0.00 -0.84 -2.21 121.76 116.39 1mm4 s ALA 130 Ca 0.18 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.32 1mm4 s ALA 130 Cb -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1mm4 s ALA 130 CO 0.12 -0.27 0.22 -1.54 0.00 0.00 0.00 175.76 174.30 1mm4 s SER 131 N 1.42 6.05 -0.14 0.00 1.04 -0.95 -2.02 113.70 119.09 1mm4 s SER 131 Ca -0.09 -0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.24 1mm4 s SER 131 Cb -0.09 -2.13 0.03 0.00 0.10 0.00 0.00 66.02 63.92 1mm4 s SER 131 CO -0.11 -0.11 -0.09 0.68 0.98 0.00 0.00 173.24 174.59 1mm4 s VAL 132 N 1.78 1.19 -2.37 5.02 -7.23 0.44 -0.42 120.40 118.80 1mm4 s VAL 132 Ca 0.07 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1mm4 s VAL 132 Cb -0.16 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1mm4 s VAL 132 CO 0.11 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 1mm4 n GLY 133 N 4.88 -0.56 3.12 2.32 0.00 -0.95 -0.60 105.19 113.41 1mm4 n GLY 133 Ca -0.13 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1mm4 n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mm4 s TYR 134 N -3.00 -0.14 0.00 1.61 6.14 0.03 -1.97 117.35 120.02 1mm4 s TYR 134 Ca 0.00 0.31 0.00 0.00 0.64 0.00 0.00 57.07 58.02 1mm4 s TYR 134 Cb 0.00 0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.42 1mm4 s TYR 134 CO 0.00 -0.20 0.00 0.41 0.64 0.00 0.00 175.55 176.40 1mm4 n GLY 135 N 2.26 2.14 0.29 8.97 0.00 -1.26 -2.18 105.19 115.41 1mm4 n GLY 135 Ca -0.17 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.53 1.61 0.13 -1.93 -3.41 132.00 122.87 1mm4 h PRO 136 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 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 0.01 0.20 0.08 -0.23 0.00 0.00 178.00 178.06 1mm4 s VAL 137 N -3.79 4.79 -0.03 1.56 1.01 -0.92 -2.40 120.40 120.61 1mm4 s VAL 137 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1mm4 s VAL 137 Cb 0.10 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1mm4 s VAL 137 CO 0.52 -0.58 0.00 -0.89 0.00 0.00 0.00 175.10 174.16 1mm4 s THR 138 N 2.94 0.17 -0.15 3.92 2.01 -1.01 -0.79 115.64 122.72 1mm4 s THR 138 Ca 0.25 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 1mm4 s THR 138 Cb -0.14 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1mm4 s THR 138 CO 0.19 0.15 0.57 -0.36 -0.69 0.00 0.00 174.62 174.48 1mm4 s PHE 139 N 1.11 3.45 -0.13 4.92 0.40 0.23 -2.29 117.98 125.68 1mm4 s PHE 139 Ca -0.09 0.94 -0.03 0.00 -0.60 0.00 0.00 56.93 57.15 1mm4 s PHE 139 Cb -0.13 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 1mm4 s PHE 139 CO -0.02 -0.00 -0.01 -0.65 0.70 0.00 0.00 175.22 175.24 1mm4 s GLN 140 N 1.24 3.41 -0.16 0.44 1.11 -0.05 -0.42 119.66 125.23 1mm4 s GLN 140 Ca 0.28 -0.46 0.00 0.00 0.01 0.00 0.00 55.36 55.20 1mm4 s GLN 140 Cb -0.16 -2.89 0.03 0.00 -1.01 0.00 0.00 33.01 28.98 1mm4 s GLN 140 CO 0.11 0.44 -0.12 0.00 0.01 0.00 0.00 175.29 175.73 1mm4 s MET 141 N -0.16 2.09 -0.22 2.91 0.23 -0.86 -1.25 119.30 122.04 1mm4 s MET 141 Ca 0.04 -0.60 -0.16 0.00 -1.03 0.00 0.00 55.69 53.94 1mm4 s MET 141 Cb -0.13 -2.13 -0.04 0.00 -1.53 0.00 0.00 34.83 31.01 1mm4 s MET 141 CO 0.02 -0.30 0.42 0.99 -2.03 0.00 0.00 175.02 174.11 1mm4 s THR 142 N 1.50 5.17 -0.10 3.16 2.01 -0.94 -1.98 115.64 124.47 1mm4 s THR 142 Ca 0.03 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.77 1mm4 s THR 142 Cb -0.14 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1mm4 s THR 142 CO -0.10 0.21 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.42 1mm4 s TYR 143 N 1.60 2.73 -0.12 4.92 6.14 -0.61 -2.60 117.35 129.41 1mm4 s TYR 143 Ca 0.19 -0.52 -0.04 0.00 0.64 0.00 0.00 57.07 57.34 1mm4 s TYR 143 Cb -0.15 -1.75 -0.03 0.00 0.42 0.00 0.00 41.96 40.44 1mm4 s TYR 143 CO 0.09 -0.10 0.01 -1.50 0.64 0.00 0.00 175.55 174.69 1mm4 s ILE 144 N -0.02 4.39 1.13 3.14 2.07 -1.26 -3.60 121.20 127.05 1mm4 s ILE 144 Ca -0.04 -0.20 -0.18 0.00 -1.41 0.00 0.00 60.65 58.81 1mm4 s ILE 144 Cb -0.14 -2.89 0.13 0.00 0.13 0.00 0.00 42.46 39.68 1mm4 s ILE 144 CO 0.04 0.56 0.08 -2.65 -1.91 0.00 0.00 174.94 171.06 1mm4 n PRO 145 N 2.68 -1.74 0.00 3.50 -0.02 -1.26 -4.96 135.00 133.19 1mm4 n PRO 145 Ca -0.18 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 1mm4 n PRO 145 Cb 0.53 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1mm4 n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mm4 n GLY 146 N 1.96 2.26 1.19 -1.23 0.00 -1.26 -5.09 105.19 103.02 1mm4 n GLY 146 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1mm4 n GLY 146 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mm4 n THR 147 N 0.00 0.00 -3.93 2.61 -2.24 -1.26 -5.13 114.28 104.32 1mm4 n THR 147 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1mm4 n THR 147 Cb 0.00 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1mm4 n THR 147 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1mm4 s TYR 148 N -1.60 3.50 0.41 4.78 2.02 -1.26 -5.00 117.35 120.21 1mm4 s TYR 148 Ca 0.00 0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.94 1mm4 s TYR 148 Cb 0.00 -1.70 0.87 0.00 -0.40 0.00 0.00 41.96 40.73 1mm4 s TYR 148 CO 0.00 0.54 2.05 -0.91 -1.57 0.00 0.00 175.55 175.67 1mm4 h ASN 149 N 2.50 0.43 -3.73 2.29 4.21 -2.05 -3.42 115.58 115.80 1mm4 h ASN 149 Ca -0.47 -0.02 -0.49 0.00 1.21 0.00 0.00 56.30 56.53 1mm4 h ASN 149 Cb 1.18 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.25 1mm4 h ASN 149 CO 0.71 0.33 0.33 0.20 -1.29 0.00 0.00 177.43 177.71 1mm4 s ASN 150 N -6.72 7.58 0.00 5.81 0.01 -1.26 -4.23 114.94 116.13 1mm4 s ASN 150 Ca -0.08 1.89 0.00 0.00 -0.71 0.00 0.00 52.86 53.97 1mm4 s ASN 150 Cb 0.17 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1mm4 s ASN 150 CO 0.73 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 177.07 1mm4 n GLY 151 N 1.40 2.00 3.72 0.66 0.00 -1.26 -4.96 105.19 106.75 1mm4 n GLY 151 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1mm4 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm4 s ASN 152 N -2.00 7.38 -0.21 1.61 0.02 -1.26 -5.03 114.94 115.45 1mm4 s ASN 152 Ca 0.00 1.82 -0.04 0.00 -1.02 0.00 0.00 52.86 53.62 1mm4 s ASN 152 Cb 0.00 -2.58 0.09 0.00 0.02 0.00 0.00 41.25 38.78 1mm4 s ASN 152 CO 0.00 -0.19 0.18 0.68 0.02 0.00 0.00 177.10 177.79 1mm4 s VAL 153 N 0.38 -0.24 -0.16 1.60 -7.23 -1.26 -5.14 120.40 108.36 1mm4 s VAL 153 Ca 0.50 -0.24 -0.08 0.00 -1.81 0.00 0.00 61.98 60.35 1mm4 s VAL 153 Cb -0.24 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1mm4 s VAL 153 CO 0.30 -0.31 0.12 -0.31 -0.31 0.00 0.00 175.10 174.58 1mm4 s TYR 154 N 2.25 3.46 -0.04 2.82 1.51 -1.26 -4.50 117.35 121.59 1mm4 s TYR 154 Ca 0.06 0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 56.50 1mm4 s TYR 154 Cb -0.16 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1mm4 s TYR 154 CO -0.16 0.48 0.01 -0.06 -1.11 0.00 0.00 175.55 174.70 1mm4 s PHE 155 N -0.29 3.14 0.01 2.71 0.40 -1.07 -5.00 117.98 117.88 1mm4 s PHE 155 Ca 0.11 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1mm4 s PHE 155 Cb -0.12 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1mm4 s PHE 155 CO 0.01 0.48 -0.00 0.00 0.70 0.00 0.00 175.22 176.40 1mm4 s ALA 156 N -1.00 3.27 -0.13 5.36 0.00 -1.26 -2.20 121.76 125.79 1mm4 s ALA 156 Ca 0.17 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1mm4 s ALA 156 Cb -0.11 -1.31 0.06 0.00 0.00 0.00 0.00 23.12 21.75 1mm4 s ALA 156 CO 0.07 0.65 0.30 -0.46 0.00 0.00 0.00 175.76 176.32 1mm4 s TRP 157 N -1.11 -0.46 -0.20 0.00 -0.11 -0.38 -4.56 118.94 112.12 1mm4 s TRP 157 Ca 0.20 1.02 -0.14 0.00 1.22 0.00 0.00 56.10 58.40 1mm4 s TRP 157 Cb -0.12 0.10 -0.04 0.00 -1.50 0.00 0.00 33.47 31.91 1mm4 s TRP 157 CO 0.11 -0.31 0.30 1.41 -4.62 0.00 0.00 176.95 173.84 1mm4 s MET 158 N 1.72 4.18 -0.17 5.86 1.75 -0.68 -0.88 119.30 131.09 1mm4 s MET 158 Ca -0.06 0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.43 1mm4 s MET 158 Cb -0.11 -3.50 0.01 0.00 2.84 0.00 0.00 34.83 34.07 1mm4 s MET 158 CO -0.10 0.09 -0.17 0.50 -0.65 0.00 0.00 175.02 174.69 1mm4 s ARG 159 N 0.95 3.13 -0.07 4.11 3.52 -0.97 -1.44 118.95 128.18 1mm4 s ARG 159 Ca 0.15 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 1mm4 s ARG 159 Cb -0.14 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 1mm4 s ARG 159 CO 0.05 -0.08 -0.17 0.12 -0.81 0.00 0.00 175.30 174.41 1mm4 s PHE 160 N 1.03 1.86 -0.14 5.12 2.19 -0.47 -2.40 117.98 125.17 1mm4 s PHE 160 Ca -0.01 -0.68 -0.11 0.00 0.33 0.00 0.00 56.93 56.46 1mm4 s PHE 160 Cb -0.15 -1.29 -0.05 0.00 -1.31 0.00 0.00 43.02 40.23 1mm4 s PHE 160 CO -0.04 -0.29 0.21 -0.65 1.83 0.00 0.00 175.22 176.27 1mm4 s GLN 161 N 0.40 3.95 -0.05 10.12 -0.21 -1.01 -1.10 119.66 131.76 1mm4 s GLN 161 Ca -0.13 -0.03 -0.19 0.00 0.02 0.00 0.00 55.36 55.03 1mm4 s GLN 161 Cb -0.15 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.48 1mm4 s GLN 161 CO 0.05 0.47 0.52 0.12 -2.12 0.00 0.00 175.29 174.33 1mm4 s PHE 162 N -0.19 3.61 0.04 0.91 2.19 -1.05 -4.85 117.98 118.64 1mm4 s PHE 162 Ca 0.14 1.04 0.01 0.00 0.33 0.00 0.00 56.93 58.46 1mm4 s PHE 162 Cb -0.12 -2.55 -0.04 0.00 -1.31 0.00 0.00 43.02 39.00 1mm4 s PHE 162 CO 0.03 0.31 0.09 -1.17 1.83 0.00 0.00 175.22 176.31 1mm4 s LEU 163 N 0.06 3.90 -0.98 6.12 2.96 -1.26 -2.33 118.68 127.15 1mm4 s LEU 163 Ca 0.28 0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 54.10 1mm4 s LEU 163 Cb -0.17 -2.42 0.13 0.00 0.50 0.00 0.00 46.19 44.23 1mm4 s LEU 163 CO 0.14 0.22 1.19 -1.61 -1.32 0.00 0.00 176.35 174.97 1mm4 s GLU 164 N -2.07 3.67 0.30 1.98 2.02 -1.26 -4.97 118.70 118.37 1mm4 s GLU 164 Ca 0.27 -1.84 0.03 0.00 0.02 0.00 0.00 54.97 53.44 1mm4 s GLU 164 Cb -0.12 -4.97 -0.01 0.00 0.10 0.00 0.00 34.13 29.13 1mm4 s GLU 164 CO 0.18 -1.80 0.10 -2.39 0.02 0.00 0.00 175.26 171.37 1mm4 n HIS 165 N 6.57 0.16 0.04 1.61 1.44 -1.26 -5.09 115.22 118.70 1mm4 n HIS 165 Ca 0.27 -1.85 0.00 0.00 -2.01 0.00 0.00 57.72 54.12 1mm4 n HIS 165 Cb 0.48 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1mm4 n HIS 165 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1mm4 n HIS 166 N -0.67 -2.03 -3.33 -1.40 -0.00 -1.26 -5.06 115.22 101.47 1mm4 n HIS 166 Ca -0.05 0.25 -0.19 0.00 0.46 0.00 0.00 57.72 58.19 1mm4 n HIS 166 Cb 0.44 0.97 -0.08 0.00 -0.12 0.00 0.00 29.99 31.20 1mm4 n HIS 166 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1mm4 s HIS 167 N -2.00 -0.00 0.02 1.57 2.46 -1.26 -5.14 115.29 110.94 1mm4 s HIS 167 Ca 0.00 -1.21 -0.02 0.00 0.47 0.00 0.00 55.06 54.30 1mm4 s HIS 167 Cb 0.00 -0.51 -0.04 0.00 -0.13 0.00 0.00 32.58 31.90 1mm4 s HIS 167 CO 0.00 -0.95 0.20 -1.58 -2.47 0.00 0.00 174.74 169.94 1mm4 s HIS 168 N 1.07 3.54 0.52 3.88 2.46 -1.26 -4.98 115.29 120.51 1mm4 s HIS 168 Ca 0.21 0.33 0.00 0.00 0.47 0.00 0.00 55.06 56.07 1mm4 s HIS 168 Cb -0.12 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.52 1mm4 s HIS 168 CO -0.05 0.62 0.00 0.72 -2.47 0.00 0.00 174.74 173.56 1mm4 n HIS 169 N 0.71 -3.76 -0.59 3.88 8.25 -1.26 -5.27 115.22 117.18 1mm4 n HIS 169 Ca -0.09 2.00 0.00 0.00 -0.26 0.00 0.00 57.72 59.37 1mm4 n HIS 169 Cb 0.52 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 28.21 1mm4 n HIS 169 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56