#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 -3.68 0.33 7.83 3.02 -1.26 -3.88 115.26 117.62 1mm4 n ASN 2 Ca 0.00 1.36 0.21 0.00 -0.03 0.00 0.00 54.58 56.12 1mm4 n ASN 2 Cb 0.00 -5.23 1.12 0.00 -0.61 0.00 0.00 39.78 35.06 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mm4 h ALA 3 N 3.56 1.16 0.00 5.41 0.00 -2.05 0.88 119.26 128.22 1mm4 h ALA 3 Ca -0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mm4 h ALA 3 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1mm4 h ALA 3 CO 0.05 -0.05 -0.01 0.38 0.00 0.00 0.00 179.25 179.62 1mm4 h ASP 4 N 0.00 0.01 1.39 0.00 -0.00 -2.00 -2.97 116.42 112.85 1mm4 h ASP 4 Ca 0.00 -0.86 -0.12 0.00 -0.00 0.00 0.00 57.03 56.06 1mm4 h ASP 4 Cb 0.10 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.41 1mm4 h ASP 4 CO -0.00 0.86 -0.58 -0.33 -0.00 0.00 0.00 179.24 179.20 1mm4 h GLU 5 N -0.85 0.00 -0.12 4.15 5.08 -1.69 -3.16 114.58 117.99 1mm4 h GLU 5 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1mm4 h GLU 5 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1mm4 h GLU 5 CO 0.00 0.58 -0.37 2.35 -1.00 0.00 0.00 179.01 180.57 1mm4 h TRP 6 N 0.00 0.28 0.01 4.33 2.91 0.66 -2.42 115.95 121.72 1mm4 h TRP 6 Ca -0.01 -0.07 -0.20 0.00 1.13 0.00 0.00 58.89 59.74 1mm4 h TRP 6 Cb 1.43 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 30.00 1mm4 h TRP 6 CO 0.00 0.59 -0.94 0.00 -1.03 0.00 0.00 178.44 177.06 1mm4 h MET 7 N 0.21 0.07 -0.34 2.65 -0.00 -1.54 -2.64 114.93 113.34 1mm4 h MET 7 Ca 0.02 -0.10 -0.12 0.00 -0.00 0.00 0.00 59.70 59.51 1mm4 h MET 7 Cb 0.76 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.38 1mm4 h MET 7 CO 0.06 0.95 -0.26 1.79 -0.00 0.00 0.00 176.91 179.45 1mm4 h THR 8 N 0.03 1.29 -0.13 -0.10 1.35 -1.48 -0.06 112.91 113.81 1mm4 h THR 8 Ca -0.03 -1.41 -0.15 0.00 -0.55 0.00 0.00 66.41 64.27 1mm4 h THR 8 Cb 1.63 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.49 1mm4 h THR 8 CO 0.13 0.46 -0.57 0.71 -0.25 0.00 0.00 175.52 176.00 1mm4 h THR 9 N 0.54 1.35 -0.01 6.82 1.35 -1.50 -3.09 112.91 118.37 1mm4 h THR 9 Ca 0.06 -1.87 -0.17 0.00 -0.55 0.00 0.00 66.41 63.89 1mm4 h THR 9 Cb 0.82 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 1mm4 h THR 9 CO 0.07 0.57 -0.77 0.15 -0.25 0.00 0.00 175.52 175.29 1mm4 h PHE 10 N 0.32 0.11 -0.44 4.73 3.04 -1.41 -3.15 116.94 120.13 1mm4 h PHE 10 Ca 0.00 -0.06 0.10 0.00 3.98 0.00 0.00 57.97 62.00 1mm4 h PHE 10 Cb 1.10 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.57 1mm4 h PHE 10 CO 0.04 0.81 0.31 -0.09 -2.02 0.00 0.00 178.31 177.36 1mm4 h ARG 11 N 0.05 0.13 -0.00 1.11 2.43 -0.91 0.33 114.38 117.52 1mm4 h ARG 11 Ca -0.02 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1mm4 h ARG 11 Cb 1.35 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1mm4 h ARG 11 CO 0.11 0.09 -0.97 1.49 -1.51 0.00 0.00 179.97 179.18 1mm4 h GLU 12 N 0.13 0.49 -0.16 0.20 4.22 -1.62 -2.40 114.58 115.45 1mm4 h GLU 12 Ca 0.21 -0.53 -0.08 0.00 0.08 0.00 0.00 59.36 59.04 1mm4 h GLU 12 Cb 0.65 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1mm4 h GLU 12 CO -0.03 1.17 -0.21 -0.91 -2.18 0.00 0.00 179.01 176.85 1mm4 h ASN 13 N 0.28 0.47 -0.30 1.04 4.21 -1.22 -2.82 115.58 117.23 1mm4 h ASN 13 Ca -0.09 -0.51 -0.07 0.00 1.21 0.00 0.00 56.30 56.84 1mm4 h ASN 13 Cb 1.61 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 38.65 1mm4 h ASN 13 CO 0.17 0.88 -0.04 0.16 -1.29 0.00 0.00 177.43 177.31 1mm4 h ILE 14 N 0.06 1.23 0.65 2.81 3.07 -1.08 -2.28 117.51 121.97 1mm4 h ILE 14 Ca 0.02 -0.99 -0.03 0.00 1.55 0.00 0.00 64.86 65.41 1mm4 h ILE 14 Cb 0.77 0.97 0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1mm4 h ILE 14 CO 0.05 0.34 -0.31 0.00 -1.05 0.00 0.00 178.15 177.18 1mm4 h ALA 15 N 1.33 -0.88 -0.35 0.16 0.00 -1.41 0.12 119.26 118.23 1mm4 h ALA 15 Ca 0.12 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1mm4 h ALA 15 Cb 0.45 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1mm4 h ALA 15 CO 0.02 -0.97 0.09 1.96 0.00 0.00 0.00 179.25 180.36 1mm4 h GLN 16 N -0.93 0.22 0.00 0.00 7.50 -1.47 -1.03 115.11 119.40 1mm4 h GLN 16 Ca -0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.02 1mm4 h GLN 16 Cb 0.69 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.17 1mm4 h GLN 16 CO 0.15 0.14 -0.14 1.79 -1.50 0.00 0.00 178.83 179.27 1mm4 h THR 17 N 0.22 1.07 0.49 -0.54 1.35 -1.35 -2.68 112.91 111.47 1mm4 h THR 17 Ca 0.16 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1mm4 h THR 17 Cb 0.17 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1mm4 h THR 17 CO -0.20 0.14 -0.26 -0.25 -0.25 0.00 0.00 175.52 174.70 1mm4 h TRP 18 N 0.00 -0.68 0.00 4.73 2.91 0.62 -3.34 115.95 120.19 1mm4 h TRP 18 Ca -0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1mm4 h TRP 18 Cb 0.25 0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 1mm4 h TRP 18 CO 0.00 -0.41 0.00 0.94 -1.03 0.00 0.00 178.44 177.94 1mm4 n GLN 19 N -5.40 0.00 0.00 2.65 -0.06 -1.07 -5.03 117.38 108.47 1mm4 n GLN 19 Ca -0.12 0.22 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1mm4 n GLN 19 Cb 0.30 -1.11 0.00 0.00 -4.06 0.00 0.00 30.24 25.37 1mm4 n GLN 19 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1mm4 n GLN 20 N -1.16 0.00 -2.33 3.69 6.02 -1.03 -5.14 117.38 117.43 1mm4 n GLN 20 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1mm4 n GLN 20 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1mm4 n GLN 20 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1mm4 s PRO 21 N 0.00 3.64 -0.11 -1.09 0.04 -1.26 -4.79 135.00 131.43 1mm4 s PRO 21 Ca 0.00 1.24 0.07 0.00 0.04 0.00 0.00 61.00 62.35 1mm4 s PRO 21 Cb 0.00 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1mm4 s PRO 21 CO 0.00 -0.55 0.01 0.39 0.04 0.00 0.00 177.00 176.89 1mm4 n GLU 22 N -1.46 1.96 -3.99 4.56 1.02 -1.26 -4.56 120.64 116.91 1mm4 n GLU 22 Ca 0.09 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1mm4 n GLU 22 Cb 0.53 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.25 0.78 0.02 -0.32 3.76 -1.26 -5.03 115.29 110.99 1mm4 s HIS 23 Ca -0.07 -1.18 0.04 0.00 -0.15 0.00 0.00 55.06 53.70 1mm4 s HIS 23 Cb 0.03 0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.97 1mm4 s HIS 23 CO 0.39 -1.34 -0.12 0.71 -0.85 0.00 0.00 174.74 173.53 1mm4 s TYR 24 N -2.58 1.04 0.15 1.40 1.51 -0.99 -4.62 117.35 113.25 1mm4 s TYR 24 Ca 0.25 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1mm4 s TYR 24 Cb -0.02 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1mm4 s TYR 24 CO 0.18 0.00 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.11 1mm4 s ASP 25 N -0.74 1.04 -0.03 2.29 -0.00 -0.19 -0.44 116.67 118.60 1mm4 s ASP 25 Ca 0.02 -1.13 0.01 0.00 -0.00 0.00 0.00 52.55 51.45 1mm4 s ASP 25 Cb -0.06 0.14 0.01 0.00 -0.00 0.00 0.00 42.92 43.01 1mm4 s ASP 25 CO 0.00 -0.57 -0.05 -0.22 -0.00 0.00 0.00 175.17 174.33 1mm4 s LEU 26 N -3.12 1.60 -0.23 1.23 1.98 0.43 -2.58 118.68 118.00 1mm4 s LEU 26 Ca 0.21 -0.12 0.01 0.00 -2.89 0.00 0.00 54.13 51.34 1mm4 s LEU 26 Cb 0.06 -0.39 0.04 0.00 0.66 0.00 0.00 46.19 46.56 1mm4 s LEU 26 CO 0.01 0.00 -0.12 -0.31 -1.89 0.00 0.00 176.35 174.04 1mm4 s TYR 27 N 0.47 3.07 0.04 5.38 2.02 0.42 -0.59 117.35 128.16 1mm4 s TYR 27 Ca -0.06 -1.92 0.01 0.00 -0.37 0.00 0.00 57.07 54.73 1mm4 s TYR 27 Cb -0.10 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1mm4 s TYR 27 CO -0.00 -0.82 -0.06 0.96 -1.57 0.00 0.00 175.55 174.06 1mm4 s ILE 28 N 1.22 0.42 0.59 2.71 -4.36 -0.64 -1.69 121.20 119.44 1mm4 s ILE 28 Ca -0.02 -1.17 -0.18 0.00 -0.26 0.00 0.00 60.65 59.01 1mm4 s ILE 28 Cb -0.17 -0.69 -0.07 0.00 1.25 0.00 0.00 42.46 42.78 1mm4 s ILE 28 CO -0.07 -0.51 0.75 -2.65 0.24 0.00 0.00 174.94 172.70 1mm4 n PRO 29 N 1.25 0.69 -2.88 0.37 -0.02 -1.26 -1.66 135.00 131.48 1mm4 n PRO 29 Ca -0.21 0.27 -0.44 0.00 -2.02 0.00 0.00 63.50 61.10 1mm4 n PRO 29 Cb 0.56 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1mm4 n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mm4 n ALA 30 N -1.74 3.96 -2.89 3.55 0.00 -1.26 -4.43 120.51 117.69 1mm4 n ALA 30 Ca 0.13 -4.23 -0.29 0.00 0.00 0.00 0.00 53.44 49.05 1mm4 n ALA 30 Cb 0.48 -3.08 -0.16 0.00 0.00 0.00 0.00 19.45 16.68 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 1.65 1.77 -0.22 0.00 2.07 -1.26 -4.97 121.20 120.24 1mm4 s ILE 31 Ca 0.43 -0.90 -0.29 0.00 -1.41 0.00 0.00 60.65 58.49 1mm4 s ILE 31 Cb -0.02 -1.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.03 1mm4 s ILE 31 CO 0.01 0.50 1.74 0.28 -1.91 0.00 0.00 174.94 175.55 1mm4 s THR 32 N 0.01 3.53 -0.40 4.00 -1.32 -1.26 -4.87 115.64 115.34 1mm4 s THR 32 Ca -0.06 0.59 0.05 0.00 -1.21 0.00 0.00 61.69 61.06 1mm4 s THR 32 Cb -0.14 -3.58 0.57 0.00 -1.51 0.00 0.00 72.50 67.85 1mm4 s THR 32 CO 0.04 -0.27 1.72 -2.67 -2.21 0.00 0.00 174.62 171.23 1mm4 n TRP 33 N 9.05 2.28 0.13 9.09 4.27 -1.26 -4.67 117.44 136.34 1mm4 n TRP 33 Ca 0.21 -1.89 -0.06 0.00 -3.89 0.00 0.00 57.50 51.86 1mm4 n TRP 33 Cb 0.45 -0.79 -0.03 0.00 -1.36 0.00 0.00 31.31 29.58 1mm4 n TRP 33 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1mm4 h HIS 34 N 1.15 -0.36 -3.29 -2.67 2.76 -2.07 -3.44 115.15 107.23 1mm4 h HIS 34 Ca 0.46 -0.01 -0.53 0.00 -2.20 0.00 0.00 60.37 58.10 1mm4 h HIS 34 Cb 2.13 0.12 0.05 0.00 1.55 0.00 0.00 27.41 31.26 1mm4 h HIS 34 CO 1.33 -0.23 0.75 0.00 -1.30 0.00 0.00 177.93 178.49 1mm4 s ALA 35 N -3.62 3.62 0.11 5.26 0.00 -1.26 -5.02 121.76 120.86 1mm4 s ALA 35 Ca -0.06 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1mm4 s ALA 35 Cb 0.01 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1mm4 s ALA 35 CO 0.17 -0.70 0.06 0.50 0.00 0.00 0.00 175.76 175.79 1mm4 s ARG 36 N -0.04 2.75 -0.39 0.00 3.00 -1.26 -5.07 118.95 117.94 1mm4 s ARG 36 Ca 0.60 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.73 54.52 1mm4 s ARG 36 Cb -0.41 -2.62 0.23 0.00 0.00 0.00 0.00 34.95 32.15 1mm4 s ARG 36 CO 0.40 0.53 1.05 0.34 0.00 0.00 0.00 175.30 177.62 1mm4 n PHE 37 N 0.27 -1.56 -3.29 5.12 -0.00 -1.26 -5.10 117.46 111.65 1mm4 n PHE 37 Ca -0.09 -0.94 -0.46 0.00 -0.00 0.00 0.00 57.45 55.95 1mm4 n PHE 37 Cb 0.53 1.23 -0.03 0.00 -0.00 0.00 0.00 39.48 41.20 1mm4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mm4 s ALA 38 N 0.65 3.89 -0.79 3.13 0.00 -1.26 -4.98 121.76 122.40 1mm4 s ALA 38 Ca 0.27 -3.03 -0.06 0.00 0.00 0.00 0.00 51.96 49.13 1mm4 s ALA 38 Cb 0.15 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.98 1mm4 s ALA 38 CO -0.11 -2.27 0.67 -0.47 0.00 0.00 0.00 175.76 173.59 1mm4 s TYR 39 N 0.82 3.70 0.38 0.00 5.04 -1.26 -5.07 117.35 120.97 1mm4 s TYR 39 Ca 0.15 -2.60 -0.26 0.00 -2.44 0.00 0.00 57.07 51.91 1mm4 s TYR 39 Cb -0.15 -3.43 -0.09 0.00 0.35 0.00 0.00 41.96 38.63 1mm4 s TYR 39 CO -0.05 -0.86 1.22 0.16 -1.34 0.00 0.00 175.55 174.67 1mm4 s ASP 40 N 0.92 6.58 0.00 4.32 1.47 -1.26 -4.77 116.67 123.93 1mm4 s ASP 40 Ca 0.21 2.47 0.00 0.00 1.18 0.00 0.00 52.55 56.41 1mm4 s ASP 40 Cb -0.13 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.82 1mm4 s ASP 40 CO -0.07 -0.65 0.00 0.29 0.68 0.00 0.00 175.17 175.42 1mm4 n LYS 41 N 0.31 0.00 -3.15 2.11 4.76 -1.26 -5.11 118.16 115.82 1mm4 n LYS 41 Ca 0.03 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.51 1mm4 n LYS 41 Cb 0.45 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.63 1mm4 n LYS 41 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1mm4 s GLU 42 N -1.18 0.45 -0.19 1.97 -1.05 -1.26 -5.03 118.70 112.41 1mm4 s GLU 42 Ca 0.00 0.72 0.05 0.00 -0.15 0.00 0.00 54.97 55.59 1mm4 s GLU 42 Cb 0.00 0.39 -0.15 0.00 -0.44 0.00 0.00 34.13 33.93 1mm4 s GLU 42 CO 0.00 -0.58 -0.12 1.63 0.95 0.00 0.00 175.26 177.14 1mm4 n LYS 43 N 5.42 0.75 -1.75 -4.83 5.02 -1.26 -4.65 118.16 116.86 1mm4 n LYS 43 Ca -0.01 0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.29 1mm4 n LYS 43 Cb 0.53 -1.41 0.08 0.00 -0.02 0.00 0.00 35.03 34.20 1mm4 n LYS 43 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1mm4 n THR 44 N -2.96 1.90 -0.08 -0.18 5.66 -1.26 -4.70 114.28 112.65 1mm4 n THR 44 Ca -0.34 -3.33 -0.07 0.00 -3.05 0.00 0.00 64.05 57.26 1mm4 n THR 44 Cb 0.92 -0.18 -0.02 0.00 -1.55 0.00 0.00 70.33 69.50 1mm4 n THR 44 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mm4 n ASP 45 N -0.65 1.76 0.00 1.09 2.03 -1.26 -4.96 116.55 114.56 1mm4 n ASP 45 Ca 0.26 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1mm4 n ASP 45 Cb 0.89 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1mm4 n ASP 45 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1mm4 n ARG 46 N -4.35 0.00 -0.71 -0.67 3.00 -1.26 -5.09 116.66 107.58 1mm4 n ARG 46 Ca -0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.42 1mm4 n ARG 46 Cb 0.42 -0.38 0.18 0.00 0.00 0.00 0.00 32.46 32.68 1mm4 n ARG 46 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1mm4 s TYR 47 N -1.88 1.64 0.35 -1.55 5.04 -1.26 -5.04 117.35 114.64 1mm4 s TYR 47 Ca 0.00 1.62 0.08 0.00 -2.44 0.00 0.00 57.07 56.33 1mm4 s TYR 47 Cb 0.00 -3.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.02 1mm4 s TYR 47 CO 0.00 -2.99 0.28 -0.80 -1.34 0.00 0.00 175.55 170.71 1mm4 s ASN 48 N -2.71 5.18 0.46 4.32 -0.87 -1.26 -4.68 114.94 115.38 1mm4 s ASN 48 Ca 0.67 -0.56 -0.16 0.00 -1.57 0.00 0.00 52.86 51.23 1mm4 s ASN 48 Cb -0.23 -0.89 -0.08 0.00 -0.02 0.00 0.00 41.25 40.03 1mm4 s ASN 48 CO 0.59 -0.38 0.91 -1.61 -2.57 0.00 0.00 177.10 174.04 1mm4 s GLU 49 N -3.99 3.97 0.53 -0.60 2.02 -1.26 -5.07 118.70 114.30 1mm4 s GLU 49 Ca 0.41 0.87 -0.05 0.00 0.02 0.00 0.00 54.97 56.22 1mm4 s GLU 49 Cb -0.05 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 1mm4 s GLU 49 CO 0.26 -0.14 0.83 1.03 0.02 0.00 0.00 175.26 177.26 1mm4 s ARG 50 N -3.75 3.23 0.09 1.61 0.52 -1.26 -5.02 118.95 114.37 1mm4 s ARG 50 Ca 0.58 0.05 -0.32 0.00 -0.52 0.00 0.00 55.73 55.52 1mm4 s ARG 50 Cb -0.10 -2.35 -0.14 0.00 0.52 0.00 0.00 34.95 32.88 1mm4 s ARG 50 CO 0.26 -0.43 1.51 -1.35 0.02 0.00 0.00 175.30 175.32 1mm4 h PRO 51 N 0.06 -0.74 -4.96 3.54 0.11 -1.98 -3.49 132.00 124.54 1mm4 h PRO 51 Ca -0.46 0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1mm4 h PRO 51 Cb 1.23 0.17 -0.13 0.00 0.11 0.00 0.00 31.00 32.38 1mm4 h PRO 51 CO 0.61 -0.50 -1.59 0.91 -0.21 0.00 0.00 178.00 177.22 1mm4 n TRP 52 N -5.24 -4.53 -4.49 0.65 5.03 -1.26 -3.90 117.44 103.70 1mm4 n TRP 52 Ca -0.09 2.65 -0.26 0.00 3.03 0.00 0.00 57.50 62.83 1mm4 n TRP 52 Cb 0.39 -3.93 -0.10 0.00 -1.03 0.00 0.00 31.31 26.64 1mm4 n TRP 52 CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 177.69 177.86 1mm4 s GLY 53 N -0.66 2.19 0.00 6.99 0.00 -1.26 -4.05 107.32 110.53 1mm4 s GLY 53 Ca -0.28 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 42.36 1mm4 s GLY 53 CO 0.76 -2.00 0.00 0.61 0.00 0.00 0.00 173.10 172.47 1mm4 n GLY 54 N -0.86 -0.39 2.30 0.20 0.00 -1.07 -4.70 105.19 100.68 1mm4 n GLY 54 Ca -0.05 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.04 1mm4 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm4 n GLY 55 N -0.09 0.30 3.36 -0.02 0.00 -0.68 -0.61 105.19 107.44 1mm4 n GLY 55 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.23 1.63 0.15 1.61 -0.71 0.43 -0.44 117.98 118.43 1mm4 s PHE 56 Ca 0.18 -1.32 -0.11 0.00 -1.04 0.00 0.00 56.93 54.64 1mm4 s PHE 56 Cb -0.00 -0.91 0.00 0.00 -1.21 0.00 0.00 43.02 40.90 1mm4 s PHE 56 CO -0.01 -0.45 0.32 0.20 -1.34 0.00 0.00 175.22 173.94 1mm4 s GLY 57 N -3.40 0.24 0.42 1.99 0.00 -1.06 -0.80 107.32 104.71 1mm4 s GLY 57 Ca 0.35 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.46 1mm4 s GLY 57 CO 0.17 -0.68 0.12 1.08 0.00 0.00 0.00 173.10 173.78 1mm4 s LEU 58 N -2.92 2.03 0.02 0.66 1.43 -0.92 -1.02 118.68 117.96 1mm4 s LEU 58 Ca 0.12 -1.67 -0.05 0.00 -1.03 0.00 0.00 54.13 51.50 1mm4 s LEU 58 Cb 0.03 -0.17 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 1mm4 s LEU 58 CO -0.03 -0.92 0.08 -0.94 0.23 0.00 0.00 176.35 174.77 1mm4 s SER 59 N -3.63 0.12 0.23 2.29 1.04 -1.26 -1.53 113.70 110.96 1mm4 s SER 59 Ca 0.22 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.17 1mm4 s SER 59 Cb 0.02 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1mm4 s SER 59 CO 0.13 -0.40 0.39 -0.13 0.98 0.00 0.00 173.24 174.22 1mm4 s ARG 60 N -1.78 1.45 -0.08 4.02 0.52 0.18 -4.45 118.95 118.81 1mm4 s ARG 60 Ca -0.12 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.75 1mm4 s ARG 60 Cb -0.06 0.42 -0.03 0.00 0.52 0.00 0.00 34.95 35.80 1mm4 s ARG 60 CO -0.01 -0.57 -0.07 -1.58 0.02 0.00 0.00 175.30 173.09 1mm4 s TRP 61 N -4.05 2.93 -0.16 -0.53 0.52 -1.26 -2.10 118.94 114.29 1mm4 s TRP 61 Ca 0.26 -0.03 -0.01 0.00 0.02 0.00 0.00 56.10 56.34 1mm4 s TRP 61 Cb 0.01 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 1mm4 s TRP 61 CO 0.09 0.28 -0.12 -0.51 0.02 0.00 0.00 176.95 176.71 1mm4 s ASP 62 N -0.67 3.92 0.64 2.95 1.01 0.46 -4.87 116.67 120.11 1mm4 s ASP 62 Ca 0.10 -0.40 0.32 0.00 0.71 0.00 0.00 52.55 53.28 1mm4 s ASP 62 Cb -0.11 -1.62 1.72 0.00 1.01 0.00 0.00 42.92 43.92 1mm4 s ASP 62 CO 0.02 0.10 2.01 -0.08 0.21 0.00 0.00 175.17 177.42 1mm4 h GLU 63 N 7.22 0.00 -0.91 8.23 4.81 -2.00 0.12 114.58 132.05 1mm4 h GLU 63 Ca -0.32 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.74 1mm4 h GLU 63 Cb 1.19 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 1mm4 h GLU 63 CO 0.57 0.00 0.22 1.63 -0.73 0.00 0.00 179.01 180.70 1mm4 n LYS 64 N -3.19 2.28 -3.14 1.92 4.01 -1.26 -4.86 118.16 113.91 1mm4 n LYS 64 Ca 0.00 -1.69 -0.14 0.00 -0.51 0.00 0.00 58.31 55.97 1mm4 n LYS 64 Cb 0.37 -1.76 0.07 0.00 -0.51 0.00 0.00 35.03 33.20 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mm4 n GLY 65 N -0.11 -0.19 3.21 0.72 0.00 0.38 -5.04 105.19 104.17 1mm4 n GLY 65 Ca 0.26 -0.02 -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 -4.04 1.65 -0.38 1.61 0.01 -1.09 -4.98 114.94 107.72 1mm4 s ASN 66 Ca 0.02 -0.89 0.03 0.00 -0.71 0.00 0.00 52.86 51.30 1mm4 s ASN 66 Cb -0.01 -0.01 0.11 0.00 0.41 0.00 0.00 41.25 41.75 1mm4 s ASN 66 CO 0.58 -0.28 0.11 0.26 -1.51 0.00 0.00 177.10 176.26 1mm4 s TRP 67 N -2.76 3.66 0.39 2.20 0.52 -1.05 -0.41 118.94 121.51 1mm4 s TRP 67 Ca 0.10 -2.92 -0.26 0.00 0.02 0.00 0.00 56.10 53.05 1mm4 s TRP 67 Cb -0.01 -2.98 -0.09 0.00 -1.15 0.00 0.00 33.47 29.25 1mm4 s TRP 67 CO 0.00 -0.93 1.24 -1.58 0.02 0.00 0.00 176.95 175.71 1mm4 s HIS 68 N 0.78 2.96 -0.04 -1.98 5.65 -0.89 -2.08 115.29 119.70 1mm4 s HIS 68 Ca 0.11 1.48 -0.01 0.00 0.25 0.00 0.00 55.06 56.89 1mm4 s HIS 68 Cb -0.20 -3.54 0.03 0.00 -1.18 0.00 0.00 32.58 27.68 1mm4 s HIS 68 CO -0.06 -1.71 0.06 0.20 -0.65 0.00 0.00 174.74 172.58 1mm4 s GLY 69 N -0.89 0.13 0.26 1.59 0.00 -0.62 -0.65 107.32 107.14 1mm4 s GLY 69 Ca 0.56 0.31 -0.10 0.00 0.00 0.00 0.00 44.72 45.48 1mm4 s GLY 69 CO 0.45 1.08 0.59 -2.27 0.00 0.00 0.00 173.10 172.95 1mm4 s LEU 70 N 1.63 4.13 -0.04 0.66 0.20 -0.58 -2.59 118.68 122.09 1mm4 s LEU 70 Ca -0.02 0.98 -0.02 0.00 0.69 0.00 0.00 54.13 55.76 1mm4 s LEU 70 Cb -0.12 -3.76 0.03 0.00 -0.43 0.00 0.00 46.19 41.91 1mm4 s LEU 70 CO -0.03 -0.12 0.06 -0.31 -0.29 0.00 0.00 176.35 175.66 1mm4 s TYR 71 N -1.88 0.06 -0.20 5.38 2.02 -0.83 -2.17 117.35 119.73 1mm4 s TYR 71 Ca 0.49 0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 57.41 1mm4 s TYR 71 Cb -0.11 -0.46 0.06 0.00 -0.40 0.00 0.00 41.96 41.05 1mm4 s TYR 71 CO 0.21 -0.18 0.03 0.00 -1.57 0.00 0.00 175.55 174.04 1mm4 s ALA 72 N 2.08 1.04 0.31 3.71 0.00 0.02 -0.86 121.76 128.05 1mm4 s ALA 72 Ca 0.04 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.38 1mm4 s ALA 72 Cb -0.12 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1mm4 s ALA 72 CO -0.03 -1.18 -0.08 -1.64 0.00 0.00 0.00 175.76 172.84 1mm4 s MET 73 N 1.84 1.95 -0.19 0.00 -1.94 -0.97 -0.43 119.30 119.57 1mm4 s MET 73 Ca -0.01 -1.72 -0.16 0.00 -1.71 0.00 0.00 55.69 52.09 1mm4 s MET 73 Cb -0.17 -1.89 0.05 0.00 2.01 0.00 0.00 34.83 34.83 1mm4 s MET 73 CO -0.08 0.24 0.51 0.00 -0.01 0.00 0.00 175.02 175.68 1mm4 s ALA 74 N -2.49 -1.27 0.20 3.03 0.00 0.22 -0.98 121.76 120.47 1mm4 s ALA 74 Ca 0.32 1.51 0.09 0.00 0.00 0.00 0.00 51.96 53.88 1mm4 s ALA 74 Cb -0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1mm4 s ALA 74 CO 0.18 -0.25 -0.18 -0.06 0.00 0.00 0.00 175.76 175.44 1mm4 s PHE 75 N 0.52 1.92 -0.48 0.00 0.40 -1.07 -2.59 117.98 116.67 1mm4 s PHE 75 Ca -0.02 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.74 1mm4 s PHE 75 Cb -0.04 -0.92 0.12 0.00 0.51 0.00 0.00 43.02 42.69 1mm4 s PHE 75 CO -0.03 0.42 0.38 0.15 0.70 0.00 0.00 175.22 176.84 1mm4 s LYS 76 N -3.11 2.60 0.68 0.44 1.02 -1.25 -1.69 119.74 118.42 1mm4 s LYS 76 Ca 0.20 -1.73 -0.17 0.00 0.02 0.00 0.00 55.97 54.29 1mm4 s LYS 76 Cb -0.05 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.26 1mm4 s LYS 76 CO 0.08 -1.21 1.25 -0.25 -0.92 0.00 0.00 175.35 174.31 1mm4 n ASP 77 N 4.99 1.79 0.00 2.83 8.00 -1.25 -4.69 116.55 128.22 1mm4 n ASP 77 Ca -0.09 0.78 0.15 0.00 0.71 0.00 0.00 54.79 56.34 1mm4 n ASP 77 Cb 0.41 -1.54 0.81 0.00 -0.02 0.00 0.00 41.12 40.78 1mm4 n ASP 77 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1mm4 n SER 78 N -2.06 0.00 0.00 -2.24 7.64 -1.26 -4.29 113.62 111.41 1mm4 n SER 78 Ca 0.15 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1mm4 n SER 78 Cb 0.48 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1mm4 n SER 78 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1mm4 n TRP 79 N -1.16 0.00 -1.48 1.43 7.02 -1.26 -5.12 117.44 116.87 1mm4 n TRP 79 Ca 0.18 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.62 1mm4 n TRP 79 Cb 0.18 0.34 0.02 0.00 -2.42 0.00 0.00 31.31 29.43 1mm4 n TRP 79 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1mm4 n ASN 80 N -2.22 0.07 -2.62 -0.99 4.13 -1.26 -5.11 115.26 107.26 1mm4 n ASN 80 Ca 0.00 -1.09 -0.05 0.00 1.68 0.00 0.00 54.58 55.11 1mm4 n ASN 80 Cb 0.01 -0.12 0.03 0.00 -1.54 0.00 0.00 39.78 38.16 1mm4 n ASN 80 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1mm4 n LYS 81 N -1.34 0.49 -1.83 3.52 4.76 -1.26 -4.22 118.16 118.28 1mm4 n LYS 81 Ca 0.02 -0.66 -0.42 0.00 -2.87 0.00 0.00 58.31 54.38 1mm4 n LYS 81 Cb 0.08 -0.15 -0.03 0.00 -1.84 0.00 0.00 35.03 33.09 1mm4 n LYS 81 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1mm4 s TRP 82 N -0.49 2.73 -0.24 2.13 0.52 -1.26 -3.87 118.94 118.46 1mm4 s TRP 82 Ca 0.16 0.36 -0.10 0.00 0.02 0.00 0.00 56.10 56.54 1mm4 s TRP 82 Cb -0.01 -4.05 -0.05 0.00 -1.15 0.00 0.00 33.47 28.22 1mm4 s TRP 82 CO 0.10 -4.04 0.15 -2.00 0.02 0.00 0.00 176.95 171.18 1mm4 s GLU 83 N 1.72 4.03 0.69 4.98 2.12 -0.69 -4.95 118.70 126.61 1mm4 s GLU 83 Ca 0.74 -0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 1mm4 s GLU 83 Cb -0.45 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1mm4 s GLU 83 CO 0.33 0.05 1.08 -1.25 -0.54 0.00 0.00 175.26 174.93 1mm4 s PRO 84 N 1.06 2.99 -0.17 4.30 0.04 -1.26 -2.60 135.00 139.37 1mm4 s PRO 84 Ca 0.07 0.58 -0.05 0.00 0.04 0.00 0.00 61.00 61.65 1mm4 s PRO 84 Cb -0.14 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.46 1mm4 s PRO 84 CO 0.04 -0.97 0.29 0.42 0.04 0.00 0.00 177.00 176.83 1mm4 s ILE 85 N -3.28 -0.46 0.08 0.56 1.01 -0.15 -4.76 121.20 114.20 1mm4 s ILE 85 Ca 0.58 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 1mm4 s ILE 85 Cb -0.11 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 1mm4 s ILE 85 CO 0.53 0.03 0.30 0.00 0.00 0.00 0.00 174.94 175.79 1mm4 s ALA 86 N 2.45 3.87 -0.13 9.38 0.00 -1.07 -2.28 121.76 133.97 1mm4 s ALA 86 Ca 0.03 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 1mm4 s ALA 86 Cb -0.13 -2.03 0.06 0.00 0.00 0.00 0.00 23.12 21.02 1mm4 s ALA 86 CO -0.11 0.71 0.61 0.20 0.00 0.00 0.00 175.76 177.17 1mm4 s GLY 87 N -2.23 -0.47 -0.27 0.00 0.00 -0.04 -2.16 107.32 102.16 1mm4 s GLY 87 Ca 0.35 1.39 -0.06 0.00 0.00 0.00 0.00 44.72 46.40 1mm4 s GLY 87 CO 0.23 1.11 0.54 -0.19 0.00 0.00 0.00 173.10 174.79 1mm4 s TYR 88 N -0.51 -1.21 0.19 1.90 2.02 0.16 -1.96 117.35 117.95 1mm4 s TYR 88 Ca -0.06 1.78 -0.02 0.00 -0.37 0.00 0.00 57.07 58.40 1mm4 s TYR 88 Cb -0.03 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 42.02 1mm4 s TYR 88 CO 0.05 -0.68 0.16 0.20 -1.57 0.00 0.00 175.55 173.70 1mm4 s GLY 89 N 2.77 1.24 -0.16 0.71 0.00 -1.07 -1.03 107.32 109.79 1mm4 s GLY 89 Ca 0.04 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.22 1mm4 s GLY 89 CO -0.18 -1.30 -0.19 -0.98 0.00 0.00 0.00 173.10 170.46 1mm4 s TRP 90 N -4.12 2.53 0.15 1.90 0.51 -0.68 -1.59 118.94 117.63 1mm4 s TRP 90 Ca 0.34 -1.40 0.07 0.00 -2.12 0.00 0.00 56.10 52.99 1mm4 s TRP 90 Cb 0.06 -1.77 -0.04 0.00 -0.81 0.00 0.00 33.47 30.91 1mm4 s TRP 90 CO 0.10 -0.70 -0.04 -1.21 -0.51 0.00 0.00 176.95 174.59 1mm4 s GLU 91 N 1.19 2.31 -0.21 4.98 0.41 -0.88 -2.47 118.70 124.03 1mm4 s GLU 91 Ca 0.01 -1.08 -0.03 0.00 -0.41 0.00 0.00 54.97 53.46 1mm4 s GLU 91 Cb -0.14 -2.34 -0.01 0.00 -1.78 0.00 0.00 34.13 29.87 1mm4 s GLU 91 CO -0.09 0.47 -0.06 0.45 -0.49 0.00 0.00 175.26 175.55 1mm4 s SER 92 N -2.69 4.23 0.40 -0.19 0.15 -0.55 -2.51 113.70 112.53 1mm4 s SER 92 Ca 0.26 -0.39 -0.24 0.00 0.70 0.00 0.00 55.95 56.27 1mm4 s SER 92 Cb -0.10 -1.71 -0.09 0.00 -1.71 0.00 0.00 66.02 62.41 1mm4 s SER 92 CO 0.17 0.01 1.08 0.28 1.20 0.00 0.00 173.24 175.97 1mm4 s THR 93 N 1.32 3.58 -0.26 6.45 -1.32 -1.26 -2.59 115.64 121.56 1mm4 s THR 93 Ca 0.04 1.25 -0.02 0.00 -1.21 0.00 0.00 61.69 61.75 1mm4 s THR 93 Cb -0.14 -3.66 0.14 0.00 -1.51 0.00 0.00 72.50 67.33 1mm4 s THR 93 CO -0.03 0.05 0.40 0.26 -2.21 0.00 0.00 174.62 173.08 1mm4 s TRP 94 N -1.58 -0.90 0.04 9.09 0.52 -0.14 -4.98 118.94 120.99 1mm4 s TRP 94 Ca 0.57 0.77 0.04 0.00 0.02 0.00 0.00 56.10 57.50 1mm4 s TRP 94 Cb -0.24 0.01 -0.04 0.00 -1.15 0.00 0.00 33.47 32.05 1mm4 s TRP 94 CO 0.31 -0.78 -0.02 1.03 0.02 0.00 0.00 176.95 177.50 1mm4 s ARG 95 N 2.56 2.59 1.16 4.98 0.52 -1.26 -1.94 118.95 127.56 1mm4 s ARG 95 Ca 0.13 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.39 1mm4 s ARG 95 Cb -0.15 -2.55 0.28 0.00 0.52 0.00 0.00 34.95 33.05 1mm4 s ARG 95 CO -0.19 0.58 1.19 -1.25 0.02 0.00 0.00 175.30 175.65 1mm4 s PRO 96 N -1.85 -0.93 -0.90 3.54 0.04 -1.26 -4.98 135.00 128.66 1mm4 s PRO 96 Ca 0.21 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1mm4 s PRO 96 Cb -0.11 -1.65 0.31 0.00 0.04 0.00 0.00 34.50 33.09 1mm4 s PRO 96 CO 0.13 -3.48 1.42 -0.11 0.04 0.00 0.00 177.00 175.00 1mm4 n LEU 97 N -4.55 6.08 0.04 -3.56 7.94 -1.26 -4.62 117.00 117.07 1mm4 n LEU 97 Ca 0.15 -5.42 0.00 0.00 -1.11 0.00 0.00 56.01 49.64 1mm4 n LEU 97 Cb 0.60 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.54 1mm4 n LEU 97 CO 0.43 2.03 0.00 0.00 -1.11 0.00 0.00 177.39 178.74 1mm4 n ALA 98 N 0.35 0.00 -2.86 1.96 0.00 -1.26 -5.13 120.51 113.58 1mm4 n ALA 98 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1mm4 n ALA 98 Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 1mm4 n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mm4 s ASP 99 N -1.65 5.16 -0.53 0.00 1.01 -1.26 -5.00 116.67 114.40 1mm4 s ASP 99 Ca 0.00 -0.00 0.01 0.00 0.71 0.00 0.00 52.55 53.27 1mm4 s ASP 99 Cb 0.00 -1.78 0.56 0.00 1.01 0.00 0.00 42.92 42.71 1mm4 s ASP 99 CO 0.00 0.21 1.96 1.21 0.21 0.00 0.00 175.17 178.76 1mm4 n GLU 100 N 3.25 2.40 -0.08 8.23 2.13 -1.26 -4.37 120.64 130.93 1mm4 n GLU 100 Ca -0.17 -3.04 -0.16 0.00 0.66 0.00 0.00 57.16 54.45 1mm4 n GLU 100 Cb 0.53 -2.19 -0.05 0.00 0.27 0.00 0.00 31.44 29.99 1mm4 n GLU 100 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1mm4 n ASN 101 N -0.99 1.27 -4.65 4.31 5.15 -1.26 -4.96 115.26 114.13 1mm4 n ASN 101 Ca 0.59 0.22 -0.42 0.00 -0.60 0.00 0.00 54.58 54.37 1mm4 n ASN 101 Cb 1.22 -0.52 -0.03 0.00 -0.53 0.00 0.00 39.78 39.93 1mm4 n ASN 101 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1mm4 s PHE 102 N -2.35 2.10 -0.13 1.20 2.19 -1.26 -4.60 117.98 115.12 1mm4 s PHE 102 Ca -0.23 0.37 -0.04 0.00 0.33 0.00 0.00 56.93 57.35 1mm4 s PHE 102 Cb 0.08 -3.87 -0.03 0.00 -1.31 0.00 0.00 43.02 37.88 1mm4 s PHE 102 CO 0.30 -3.41 0.02 -1.58 1.83 0.00 0.00 175.22 172.37 1mm4 s HIS 103 N 4.24 3.17 -0.09 10.12 5.65 -0.32 -4.54 115.29 133.52 1mm4 s HIS 103 Ca 0.71 0.05 0.01 0.00 0.25 0.00 0.00 55.06 56.08 1mm4 s HIS 103 Cb -0.30 -1.92 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 1mm4 s HIS 103 CO 0.28 0.26 -0.12 -1.17 -0.65 0.00 0.00 174.74 173.34 1mm4 s LEU 104 N -0.21 2.85 -0.03 8.88 0.20 -0.82 -1.30 118.68 128.25 1mm4 s LEU 104 Ca 0.06 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.68 1mm4 s LEU 104 Cb -0.12 -1.62 0.02 0.00 -0.43 0.00 0.00 46.19 44.04 1mm4 s LEU 104 CO 0.02 0.27 -0.03 -0.83 -0.29 0.00 0.00 176.35 175.48 1mm4 s GLY 105 N -0.25 0.36 -0.13 7.98 0.00 -0.20 -0.97 107.32 114.11 1mm4 s GLY 105 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.68 1mm4 s GLY 105 CO 0.03 0.41 0.30 -2.27 0.00 0.00 0.00 173.10 171.57 1mm4 s LEU 106 N 0.82 0.14 0.00 0.66 1.98 -1.07 -2.00 118.68 119.21 1mm4 s LEU 106 Ca -0.10 0.66 0.00 0.00 -2.89 0.00 0.00 54.13 51.80 1mm4 s LEU 106 Cb -0.13 0.93 0.00 0.00 0.66 0.00 0.00 46.19 47.65 1mm4 s LEU 106 CO -0.00 -0.19 0.00 0.61 -1.89 0.00 0.00 176.35 174.88 1mm4 n GLY 107 N 4.42 -0.56 3.66 7.98 0.00 -1.07 -1.48 105.19 118.14 1mm4 n GLY 107 Ca -0.22 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.01 2.64 -0.07 1.61 0.40 -1.03 -2.40 117.98 116.12 1mm4 s PHE 108 Ca 0.00 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1mm4 s PHE 108 Cb 0.00 -1.39 0.04 0.00 0.51 0.00 0.00 43.02 42.17 1mm4 s PHE 108 CO 0.00 0.51 0.06 0.99 0.70 0.00 0.00 175.22 177.47 1mm4 s THR 109 N -2.42 -0.03 -0.25 0.64 2.01 -1.07 -1.69 115.64 112.84 1mm4 s THR 109 Ca 0.34 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.60 1mm4 s THR 109 Cb -0.03 -0.29 0.04 0.00 0.01 0.00 0.00 72.50 72.22 1mm4 s THR 109 CO 0.20 0.10 -0.08 0.00 -0.69 0.00 0.00 174.62 174.16 1mm4 s ALA 110 N 2.13 2.64 0.19 7.40 0.00 -0.20 -2.55 121.76 131.37 1mm4 s ALA 110 Ca 0.04 -1.53 0.09 0.00 0.00 0.00 0.00 51.96 50.56 1mm4 s ALA 110 Cb -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1mm4 s ALA 110 CO -0.04 -0.89 -0.18 0.20 0.00 0.00 0.00 175.76 174.85 1mm4 s GLY 111 N 1.27 1.46 -0.04 0.00 0.00 -0.86 -0.67 107.32 108.48 1mm4 s GLY 111 Ca -0.02 -1.57 0.05 0.00 0.00 0.00 0.00 44.72 43.18 1mm4 s GLY 111 CO -0.05 -1.64 -0.18 -1.34 0.00 0.00 0.00 173.10 169.89 1mm4 s VAL 112 N -2.33 2.74 -0.03 1.40 -7.23 -0.92 -0.75 120.40 113.29 1mm4 s VAL 112 Ca 0.19 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.53 1mm4 s VAL 112 Cb -0.04 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1mm4 s VAL 112 CO 0.08 0.58 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.45 1mm4 s THR 113 N -0.70 0.90 -0.06 5.32 2.01 -1.07 -2.60 115.64 119.45 1mm4 s THR 113 Ca 0.11 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 1mm4 s THR 113 Cb -0.10 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1mm4 s THR 113 CO 0.00 0.28 0.28 0.00 -0.69 0.00 0.00 174.62 174.49 1mm4 s ALA 114 N 0.19 3.78 -0.32 7.40 0.00 -1.26 -1.61 121.76 129.94 1mm4 s ALA 114 Ca -0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 1mm4 s ALA 114 Cb -0.09 -2.20 0.19 0.00 0.00 0.00 0.00 23.12 21.02 1mm4 s ALA 114 CO 0.01 0.54 1.03 0.50 0.00 0.00 0.00 175.76 177.84 1mm4 s ARG 115 N -1.04 0.20 -0.02 0.00 3.52 -1.26 -5.03 118.95 115.32 1mm4 s ARG 115 Ca 0.20 -0.03 -0.14 0.00 -0.13 0.00 0.00 55.73 55.63 1mm4 s ARG 115 Cb -0.15 0.03 0.05 0.00 -1.56 0.00 0.00 34.95 33.33 1mm4 s ARG 115 CO 0.09 -0.30 0.65 -3.47 -0.81 0.00 0.00 175.30 171.46 1mm4 n ASP 116 N 4.01 -0.58 -0.10 -2.12 -0.08 -1.26 -5.07 116.55 111.34 1mm4 n ASP 116 Ca 0.07 -1.10 -0.20 0.00 -1.51 0.00 0.00 54.79 52.05 1mm4 n ASP 116 Cb 0.62 0.89 -0.09 0.00 2.34 0.00 0.00 41.12 44.89 1mm4 n ASP 116 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1mm4 n ASN 117 N -0.59 1.88 -4.41 1.67 5.15 -1.26 -4.81 115.26 112.88 1mm4 n ASN 117 Ca 0.02 0.44 -0.44 0.00 -0.60 0.00 0.00 54.58 54.00 1mm4 n ASN 117 Cb 0.29 -0.90 -0.07 0.00 -0.53 0.00 0.00 39.78 38.56 1mm4 n ASN 117 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1mm4 s TRP 118 N -2.41 3.18 -0.27 1.20 0.52 -1.26 -5.02 118.94 114.88 1mm4 s TRP 118 Ca -0.28 -0.77 -0.28 0.00 0.02 0.00 0.00 56.10 54.79 1mm4 s TRP 118 Cb 0.07 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.11 1mm4 s TRP 118 CO 0.49 -0.85 2.15 -0.80 0.02 0.00 0.00 176.95 177.96 1mm4 s ASN 119 N 2.54 5.43 0.01 2.95 0.01 -1.26 -4.70 114.94 119.92 1mm4 s ASN 119 Ca 0.08 1.67 0.00 0.00 -0.71 0.00 0.00 52.86 53.90 1mm4 s ASN 119 Cb -0.22 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1mm4 s ASN 119 CO 0.09 -2.01 0.00 -1.22 -1.51 0.00 0.00 177.10 172.44 1mm4 n TYR 120 N 11.87 -0.07 -4.69 2.20 4.01 -1.26 -5.12 117.16 124.09 1mm4 n TYR 120 Ca 0.29 0.01 -0.23 0.00 -0.16 0.00 0.00 57.90 57.81 1mm4 n TYR 120 Cb 0.46 0.31 -0.15 0.00 -0.31 0.00 0.00 39.34 39.65 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1mm4 s ILE 121 N -1.04 1.18 1.06 -0.72 -4.36 -1.26 -5.15 121.20 110.90 1mm4 s ILE 121 Ca 0.00 -0.63 -0.17 0.00 -0.26 0.00 0.00 60.65 59.59 1mm4 s ILE 121 Cb 0.00 -0.99 0.23 0.00 1.25 0.00 0.00 42.46 42.95 1mm4 s ILE 121 CO 0.00 0.34 1.24 -2.16 0.24 0.00 0.00 174.94 174.60 1mm4 s PRO 122 N -0.27 -0.10 -0.64 0.37 0.04 -1.26 -4.96 135.00 128.18 1mm4 s PRO 122 Ca 0.04 -0.28 -0.02 0.00 0.04 0.00 0.00 61.00 60.78 1mm4 s PRO 122 Cb -0.07 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.89 1mm4 s PRO 122 CO -0.00 -2.93 0.45 -0.51 0.04 0.00 0.00 177.00 174.05 1mm4 s LEU 123 N -6.30 5.15 0.60 -3.56 1.43 -0.63 -4.92 118.68 110.45 1mm4 s LEU 123 Ca 0.73 -2.99 -0.17 0.00 -1.03 0.00 0.00 54.13 50.67 1mm4 s LEU 123 Cb -0.06 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1mm4 s LEU 123 CO 0.54 -0.33 1.13 -2.16 0.23 0.00 0.00 176.35 175.77 1mm4 s PRO 124 N -0.26 3.04 -0.16 1.29 0.04 -1.26 -2.60 135.00 135.09 1mm4 s PRO 124 Ca 0.18 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 62.70 1mm4 s PRO 124 Cb -0.19 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.45 1mm4 s PRO 124 CO -0.04 -1.09 0.36 0.14 0.04 0.00 0.00 177.00 176.41 1mm4 s VAL 125 N -1.99 -0.38 -0.17 -0.36 -7.23 0.07 -4.97 120.40 105.37 1mm4 s VAL 125 Ca 0.71 0.18 -0.00 0.00 -1.81 0.00 0.00 61.98 61.05 1mm4 s VAL 125 Cb -0.23 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1mm4 s VAL 125 CO 0.34 0.07 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.85 1mm4 s LEU 126 N 2.14 2.51 0.06 1.32 0.20 -1.26 -2.03 118.68 121.62 1mm4 s LEU 126 Ca -0.04 -0.48 -0.09 0.00 0.69 0.00 0.00 54.13 54.22 1mm4 s LEU 126 Cb -0.11 -1.59 0.00 0.00 -0.43 0.00 0.00 46.19 44.06 1mm4 s LEU 126 CO -0.11 0.05 0.18 -0.76 -0.29 0.00 0.00 176.35 175.42 1mm4 s LEU 127 N 1.00 1.44 0.58 -0.68 1.02 -1.05 -4.97 118.68 116.01 1mm4 s LEU 127 Ca -0.02 -0.48 -0.20 0.00 0.02 0.00 0.00 54.13 53.45 1mm4 s LEU 127 Cb -0.15 0.94 -0.04 0.00 0.02 0.00 0.00 46.19 46.97 1mm4 s LEU 127 CO -0.03 -0.61 1.33 -2.84 0.02 0.00 0.00 176.35 174.22 1mm4 s PRO 128 N -3.01 2.95 -0.04 1.29 0.02 -1.25 -2.58 135.00 132.38 1mm4 s PRO 128 Ca -0.02 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.00 1mm4 s PRO 128 Cb 0.01 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.45 1mm4 s PRO 128 CO -0.06 -1.32 0.34 -1.17 -0.33 0.00 0.00 177.00 174.46 1mm4 s LEU 129 N -3.82 0.71 -0.07 -5.54 2.96 -1.01 -2.59 118.68 109.32 1mm4 s LEU 129 Ca 0.75 0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.86 1mm4 s LEU 129 Cb -0.39 1.34 0.03 0.00 0.50 0.00 0.00 46.19 47.68 1mm4 s LEU 129 CO 0.44 -0.40 0.18 0.00 -1.32 0.00 0.00 176.35 175.25 1mm4 s ALA 130 N -1.05 -0.39 0.13 5.97 0.00 -0.89 -2.60 121.76 122.93 1mm4 s ALA 130 Ca -0.11 0.68 0.09 0.00 0.00 0.00 0.00 51.96 52.62 1mm4 s ALA 130 Cb -0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1mm4 s ALA 130 CO 0.04 -0.14 -0.20 -1.54 0.00 0.00 0.00 175.76 173.92 1mm4 s SER 131 N 0.79 3.77 -0.09 0.00 1.04 -0.85 -2.35 113.70 116.01 1mm4 s SER 131 Ca -0.06 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1mm4 s SER 131 Cb -0.07 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.60 1mm4 s SER 131 CO -0.04 0.17 -0.01 -0.69 0.98 0.00 0.00 173.24 173.65 1mm4 s VAL 132 N -1.18 0.51 -0.36 5.02 1.01 -0.17 -1.04 120.40 124.20 1mm4 s VAL 132 Ca 0.18 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 1mm4 s VAL 132 Cb -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1mm4 s VAL 132 CO 0.09 0.22 0.51 -0.83 0.00 0.00 0.00 175.10 175.10 1mm4 s GLY 133 N 1.91 1.82 -0.12 4.51 0.00 -0.42 -0.89 107.32 114.13 1mm4 s GLY 133 Ca 0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 1mm4 s GLY 133 CO -0.06 1.26 0.04 -0.47 0.00 0.00 0.00 173.10 173.87 1mm4 s TYR 134 N 2.38 0.58 0.00 1.90 6.14 -1.02 -1.17 117.35 126.15 1mm4 s TYR 134 Ca 0.18 -0.33 0.00 0.00 0.64 0.00 0.00 57.07 57.56 1mm4 s TYR 134 Cb -0.16 -0.79 0.00 0.00 0.42 0.00 0.00 41.96 41.43 1mm4 s TYR 134 CO 0.14 -0.43 0.00 0.41 0.64 0.00 0.00 175.55 176.31 1mm4 n GLY 135 N 5.17 1.03 0.00 8.97 0.00 -1.26 -2.52 105.19 116.59 1mm4 n GLY 135 Ca -0.07 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 0.28 -4.24 1.61 -0.04 -1.26 -4.77 135.00 126.57 1mm4 n PRO 136 Ca 0.00 0.09 -0.26 0.00 -0.04 0.00 0.00 63.50 63.29 1mm4 n PRO 136 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1mm4 n PRO 136 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mm4 s VAL 137 N -2.60 3.50 -0.10 0.52 -7.23 -1.05 -4.62 120.40 108.83 1mm4 s VAL 137 Ca 0.19 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1mm4 s VAL 137 Cb 0.14 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1mm4 s VAL 137 CO 0.32 -0.14 -0.12 0.42 -0.31 0.00 0.00 175.10 175.28 1mm4 s THR 138 N -1.78 1.24 0.10 5.32 -4.23 -1.02 -2.44 115.64 112.83 1mm4 s THR 138 Ca 0.27 -0.48 -0.14 0.00 -1.18 0.00 0.00 61.69 60.16 1mm4 s THR 138 Cb -0.09 -1.16 -0.06 0.00 1.34 0.00 0.00 72.50 72.52 1mm4 s THR 138 CO 0.17 0.39 0.50 0.12 -0.54 0.00 0.00 174.62 175.27 1mm4 s PHE 139 N 1.11 3.65 0.03 3.99 2.19 -0.07 -1.34 117.98 127.54 1mm4 s PHE 139 Ca -0.05 1.02 0.02 0.00 0.33 0.00 0.00 56.93 58.25 1mm4 s PHE 139 Cb -0.14 -2.33 -0.02 0.00 -1.31 0.00 0.00 43.02 39.22 1mm4 s PHE 139 CO -0.02 0.50 -0.08 -0.65 1.83 0.00 0.00 175.22 176.80 1mm4 s GLN 140 N -1.71 0.56 -0.21 10.12 -1.52 -0.69 -1.00 119.66 125.21 1mm4 s GLN 140 Ca 0.34 -0.64 -0.15 0.00 -1.95 0.00 0.00 55.36 52.96 1mm4 s GLN 140 Cb -0.16 -0.41 0.06 0.00 -0.22 0.00 0.00 33.01 32.29 1mm4 s GLN 140 CO 0.18 0.09 0.53 -1.64 -0.25 0.00 0.00 175.29 174.20 1mm4 s MET 141 N -1.21 0.56 -0.08 2.91 -1.94 -0.99 -0.43 119.30 118.12 1mm4 s MET 141 Ca -0.06 0.89 0.02 0.00 -1.71 0.00 0.00 55.69 54.83 1mm4 s MET 141 Cb -0.08 0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.88 1mm4 s MET 141 CO 0.00 -0.12 -0.15 -0.08 -0.01 0.00 0.00 175.02 174.66 1mm4 s THR 142 N 1.04 2.98 0.21 2.05 -1.32 0.36 -2.10 115.64 118.86 1mm4 s THR 142 Ca -0.06 -0.73 0.06 0.00 -1.21 0.00 0.00 61.69 59.75 1mm4 s THR 142 Cb -0.06 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 1mm4 s THR 142 CO -0.10 0.56 0.19 -0.31 -2.21 0.00 0.00 174.62 172.76 1mm4 s TYR 143 N -0.24 3.18 -0.17 9.09 1.51 -1.07 -2.59 117.35 127.06 1mm4 s TYR 143 Ca 0.01 -0.05 -0.09 0.00 -1.01 0.00 0.00 57.07 55.93 1mm4 s TYR 143 Cb -0.13 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1mm4 s TYR 143 CO 0.03 0.51 0.12 -1.50 -1.11 0.00 0.00 175.55 173.60 1mm4 s ILE 144 N -1.94 5.33 0.14 2.71 1.10 -1.26 -3.92 121.20 123.36 1mm4 s ILE 144 Ca 0.32 0.16 -0.30 0.00 -0.51 0.00 0.00 60.65 60.31 1mm4 s ILE 144 Cb -0.09 -3.39 -0.08 0.00 0.15 0.00 0.00 42.46 39.05 1mm4 s ILE 144 CO 0.25 0.50 1.28 -2.16 -2.11 0.00 0.00 174.94 172.70 1mm4 s PRO 145 N -0.05 4.40 0.00 3.50 0.04 -1.26 -4.94 135.00 136.68 1mm4 s PRO 145 Ca 0.09 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1mm4 s PRO 145 Cb -0.11 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1mm4 s PRO 145 CO 0.00 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1mm4 n GLY 146 N 2.85 4.49 1.63 0.56 0.00 -1.26 -4.99 105.19 108.48 1mm4 n GLY 146 Ca 0.08 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.71 2.79 -0.54 2.61 -2.24 -1.26 -5.04 114.28 108.89 1mm4 n THR 147 Ca 0.00 -3.03 -0.29 0.00 -2.27 0.00 0.00 64.05 58.46 1mm4 n THR 147 Cb 0.00 -0.64 0.24 0.00 -2.10 0.00 0.00 70.33 67.83 1mm4 n THR 147 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mm4 s TYR 148 N -3.43 1.35 -0.29 4.78 5.04 -1.26 -4.98 117.35 118.56 1mm4 s TYR 148 Ca 0.50 1.31 -0.10 0.00 -2.44 0.00 0.00 57.07 56.34 1mm4 s TYR 148 Cb 0.43 -3.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.57 1mm4 s TYR 148 CO 0.01 -3.74 0.17 0.54 -1.34 0.00 0.00 175.55 171.19 1mm4 s ASN 149 N -2.49 5.81 0.49 4.32 2.20 -1.26 -4.98 114.94 119.03 1mm4 s ASN 149 Ca 0.68 -0.18 0.00 0.00 -0.94 0.00 0.00 52.86 52.43 1mm4 s ASN 149 Cb -0.25 -2.07 0.00 0.00 -2.00 0.00 0.00 41.25 36.93 1mm4 s ASN 149 CO 0.64 -0.10 0.00 -3.20 -2.94 0.00 0.00 177.10 171.50 1mm4 n ASN 150 N 5.03 -8.72 -0.23 3.54 5.15 -1.26 -4.92 115.26 113.85 1mm4 n ASN 150 Ca -0.14 1.04 -0.02 0.00 -0.60 0.00 0.00 54.58 54.85 1mm4 n ASN 150 Cb 0.51 -4.69 -0.00 0.00 -0.53 0.00 0.00 39.78 35.07 1mm4 n ASN 150 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mm4 n GLY 151 N -4.32 0.32 3.82 8.20 0.00 -1.26 -5.03 105.19 106.92 1mm4 n GLY 151 Ca -0.04 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1mm4 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mm4 s ASN 152 N -2.91 6.92 -0.19 1.61 2.20 -1.26 -5.08 114.94 116.24 1mm4 s ASN 152 Ca 0.00 1.61 -0.10 0.00 -0.94 0.00 0.00 52.86 53.43 1mm4 s ASN 152 Cb 0.00 -2.51 0.06 0.00 -2.00 0.00 0.00 41.25 36.81 1mm4 s ASN 152 CO 0.00 -0.31 0.45 0.54 -2.94 0.00 0.00 177.10 174.84 1mm4 s VAL 153 N -2.11 -0.06 -0.07 3.54 0.11 -1.26 -5.16 120.40 115.39 1mm4 s VAL 153 Ca 0.60 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.74 1mm4 s VAL 153 Cb -0.10 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1mm4 s VAL 153 CO 0.14 0.03 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.54 1mm4 s TYR 154 N 1.50 2.86 -0.15 1.54 2.02 -1.26 -4.57 117.35 119.29 1mm4 s TYR 154 Ca -0.09 -0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1mm4 s TYR 154 Cb -0.08 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1mm4 s TYR 154 CO -0.14 0.21 0.06 0.12 -1.57 0.00 0.00 175.55 174.23 1mm4 s PHE 155 N -0.59 3.28 0.38 2.71 5.36 -1.07 -4.99 117.98 123.06 1mm4 s PHE 155 Ca 0.09 0.15 0.08 0.00 -0.96 0.00 0.00 56.93 56.29 1mm4 s PHE 155 Cb -0.12 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 1mm4 s PHE 155 CO 0.02 0.30 0.26 0.00 -1.46 0.00 0.00 175.22 174.34 1mm4 s ALA 156 N -0.12 3.77 0.17 11.12 0.00 -1.26 -0.49 121.76 134.94 1mm4 s ALA 156 Ca 0.07 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 49.90 1mm4 s ALA 156 Cb -0.12 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.26 1mm4 s ALA 156 CO 0.01 -0.11 0.67 -0.46 0.00 0.00 0.00 175.76 175.87 1mm4 s TRP 157 N -2.47 -0.44 -0.08 0.00 -0.11 0.43 -4.71 118.94 111.57 1mm4 s TRP 157 Ca 0.43 0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.93 1mm4 s TRP 157 Cb -0.02 0.59 -0.03 0.00 -1.50 0.00 0.00 33.47 32.52 1mm4 s TRP 157 CO 0.25 -0.89 -0.07 -1.64 -4.62 0.00 0.00 176.95 169.98 1mm4 s MET 158 N -3.70 2.88 0.10 5.86 -1.94 -0.66 -1.71 119.30 120.13 1mm4 s MET 158 Ca 0.04 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.53 1mm4 s MET 158 Cb -0.02 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 1mm4 s MET 158 CO -0.08 0.60 -0.15 0.50 -0.01 0.00 0.00 175.02 175.88 1mm4 s ARG 159 N -0.63 0.95 0.00 2.03 3.52 -0.45 -1.62 118.95 122.76 1mm4 s ARG 159 Ca 0.10 -1.12 0.02 0.00 -0.13 0.00 0.00 55.73 54.60 1mm4 s ARG 159 Cb -0.12 -0.92 -0.01 0.00 -1.56 0.00 0.00 34.95 32.34 1mm4 s ARG 159 CO 0.02 0.19 -0.08 0.12 -0.81 0.00 0.00 175.30 174.74 1mm4 s PHE 160 N -1.70 0.67 -0.30 5.12 5.36 0.24 -2.43 117.98 124.94 1mm4 s PHE 160 Ca 0.04 -0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 55.68 1mm4 s PHE 160 Cb -0.07 -0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 42.16 1mm4 s PHE 160 CO 0.03 -0.02 0.37 -0.65 -1.46 0.00 0.00 175.22 173.49 1mm4 s GLN 161 N -0.42 3.85 -0.22 10.12 -0.21 -1.26 -0.43 119.66 131.08 1mm4 s GLN 161 Ca 0.01 -0.13 -0.07 0.00 0.02 0.00 0.00 55.36 55.18 1mm4 s GLN 161 Cb -0.04 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.22 1mm4 s GLN 161 CO -0.00 -0.37 0.06 -0.06 -2.12 0.00 0.00 175.29 172.80 1mm4 s PHE 162 N 2.06 3.15 0.03 0.91 0.40 0.41 -4.98 117.98 119.95 1mm4 s PHE 162 Ca 0.14 -0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.35 1mm4 s PHE 162 Cb -0.16 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1mm4 s PHE 162 CO 0.11 -0.12 -0.20 -1.17 0.70 0.00 0.00 175.22 174.54 1mm4 s LEU 163 N 1.04 2.52 -0.35 -0.37 1.98 -1.26 -2.35 118.68 119.88 1mm4 s LEU 163 Ca 0.04 -0.43 -0.03 0.00 -2.89 0.00 0.00 54.13 50.82 1mm4 s LEU 163 Cb -0.14 -1.47 0.07 0.00 0.66 0.00 0.00 46.19 45.30 1mm4 s LEU 163 CO 0.03 0.27 0.09 -1.61 -1.89 0.00 0.00 176.35 173.24 1mm4 s GLU 164 N -1.29 2.33 0.57 1.98 2.02 -1.26 -5.05 118.70 118.00 1mm4 s GLU 164 Ca 0.14 -1.43 0.08 0.00 0.02 0.00 0.00 54.97 53.77 1mm4 s GLU 164 Cb -0.10 -3.38 0.07 0.00 0.10 0.00 0.00 34.13 30.81 1mm4 s GLU 164 CO 0.04 -0.78 0.63 -1.01 0.02 0.00 0.00 175.26 174.16 1mm4 s HIS 165 N 1.25 1.43 0.17 1.61 3.76 -1.26 -5.03 115.29 117.23 1mm4 s HIS 165 Ca 0.00 -0.79 -0.11 0.00 -0.15 0.00 0.00 55.06 54.01 1mm4 s HIS 165 Cb -0.21 -2.07 0.08 0.00 1.11 0.00 0.00 32.58 31.49 1mm4 s HIS 165 CO -0.01 -0.89 1.72 0.45 -0.85 0.00 0.00 174.74 175.15 1mm4 h HIS 166 N 0.40 0.96 -3.34 1.40 3.86 -2.07 -3.41 115.15 112.95 1mm4 h HIS 166 Ca -0.32 -0.09 -0.62 0.00 -1.16 0.00 0.00 60.37 58.18 1mm4 h HIS 166 Cb 1.30 -0.28 -0.18 0.00 1.06 0.00 0.00 27.41 29.31 1mm4 h HIS 166 CO 0.68 0.78 -0.58 -3.38 0.86 0.00 0.00 177.93 176.29 1mm4 s HIS 167 N -5.47 3.20 -0.18 2.45 0.00 -1.26 -4.96 115.29 109.06 1mm4 s HIS 167 Ca -0.13 -0.04 0.17 0.00 -3.00 0.00 0.00 55.06 52.07 1mm4 s HIS 167 Cb 0.13 -2.08 0.38 0.00 -4.00 0.00 0.00 32.58 27.01 1mm4 s HIS 167 CO 0.81 0.07 1.22 -2.39 -1.00 0.00 0.00 174.74 173.45 1mm4 n HIS 168 N 3.71 -0.12 0.04 0.38 -0.00 -1.26 -4.96 115.22 113.02 1mm4 n HIS 168 Ca -0.17 -1.41 0.00 0.00 -0.00 0.00 0.00 57.72 56.14 1mm4 n HIS 168 Cb 0.52 0.39 0.00 0.00 -0.00 0.00 0.00 29.99 30.90 1mm4 n HIS 168 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1mm4 n HIS 169 N -0.53 -0.17 -1.92 -1.40 -0.00 -1.26 -5.16 115.22 104.78 1mm4 n HIS 169 Ca -0.06 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1mm4 n HIS 169 Cb 0.88 0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.80 1mm4 n HIS 169 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41