#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 -0.27 0.64 7.83 0.01 -1.26 -5.02 114.94 116.87 1mm4 s ASN 2 Ca 0.00 0.72 0.37 0.00 -0.71 0.00 0.00 52.86 53.25 1mm4 s ASN 2 Cb 0.00 0.69 2.12 0.00 0.41 0.00 0.00 41.25 44.47 1mm4 s ASN 2 CO 0.00 -0.19 2.29 0.00 -1.51 0.00 0.00 177.10 177.69 1mm4 h ALA 3 N 7.44 1.27 0.11 0.60 0.00 -2.04 0.51 119.26 127.15 1mm4 h ALA 3 Ca -0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1mm4 h ALA 3 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mm4 h ALA 3 CO 0.28 -0.04 -0.05 0.22 0.00 0.00 0.00 179.25 179.66 1mm4 h ASP 4 N 0.00 -0.13 0.69 0.00 1.82 -1.99 -2.36 116.42 114.46 1mm4 h ASP 4 Ca 0.01 -0.24 -0.06 0.00 -0.39 0.00 0.00 57.03 56.35 1mm4 h ASP 4 Cb 0.08 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1mm4 h ASP 4 CO -0.00 0.46 -0.29 -0.33 -1.61 0.00 0.00 179.24 177.47 1mm4 h GLU 5 N -1.00 0.00 -0.02 0.28 5.08 -1.91 -1.96 114.58 115.06 1mm4 h GLU 5 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1mm4 h GLU 5 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1mm4 h GLU 5 CO 0.02 0.29 -0.78 2.35 -1.00 0.00 0.00 179.01 179.89 1mm4 h TRP 6 N 0.00 0.23 0.05 4.33 7.01 -0.08 -2.53 115.95 124.96 1mm4 h TRP 6 Ca -0.00 -0.12 -0.11 0.00 2.11 0.00 0.00 58.89 60.77 1mm4 h TRP 6 Cb 0.71 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1mm4 h TRP 6 CO 0.00 0.87 -0.45 0.52 -2.79 0.00 0.00 178.44 176.60 1mm4 h MET 7 N 0.10 0.22 -0.33 2.65 2.86 -1.13 -2.94 114.93 116.36 1mm4 h MET 7 Ca -0.03 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1mm4 h MET 7 Cb 1.36 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 1mm4 h MET 7 CO 0.12 1.08 0.20 0.00 1.06 0.00 0.00 176.91 179.36 1mm4 h THR 8 N -0.50 1.05 -0.58 2.22 1.03 -1.44 0.35 112.91 115.04 1mm4 h THR 8 Ca -0.07 -0.14 0.01 0.00 -0.01 0.00 0.00 66.41 66.20 1mm4 h THR 8 Cb 1.27 0.60 -0.03 0.00 -1.07 0.00 0.00 68.15 68.93 1mm4 h THR 8 CO 0.09 0.07 0.38 0.00 -0.01 0.00 0.00 175.52 176.05 1mm4 h THR 9 N 0.41 1.14 -0.18 0.00 1.03 -1.57 0.33 112.91 114.07 1mm4 h THR 9 Ca 0.13 -0.27 -0.06 0.00 -0.01 0.00 0.00 66.41 66.21 1mm4 h THR 9 Cb -0.01 0.29 -0.00 0.00 -1.07 0.00 0.00 68.15 67.36 1mm4 h THR 9 CO -0.05 0.14 -0.10 0.15 -0.01 0.00 0.00 175.52 175.65 1mm4 h PHE 10 N 0.78 0.45 -0.37 0.00 3.04 -1.29 -0.41 116.94 119.15 1mm4 h PHE 10 Ca 0.22 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1mm4 h PHE 10 Cb -0.08 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 1mm4 h PHE 10 CO -0.04 0.71 0.01 0.00 -2.02 0.00 0.00 178.31 176.97 1mm4 h ARG 11 N 0.07 0.57 -0.02 1.11 3.08 -0.10 -1.58 114.38 117.51 1mm4 h ARG 11 Ca 0.04 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 59.76 1mm4 h ARG 11 Cb 0.60 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1mm4 h ARG 11 CO 0.03 0.59 -0.84 0.93 -1.07 0.00 0.00 179.97 179.60 1mm4 h GLU 12 N 0.55 0.33 0.13 0.04 4.39 -0.26 -2.21 114.58 117.55 1mm4 h GLU 12 Ca 0.12 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1mm4 h GLU 12 Cb 0.34 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1mm4 h GLU 12 CO 0.01 1.00 -0.06 -0.97 -1.16 0.00 0.00 179.01 177.83 1mm4 h ASN 13 N 0.20 -0.15 -0.10 1.42 -0.73 -0.69 -0.33 115.58 115.21 1mm4 h ASN 13 Ca -0.05 -0.29 -0.05 0.00 1.87 0.00 0.00 56.30 57.78 1mm4 h ASN 13 Cb 1.45 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 40.07 1mm4 h ASN 13 CO 0.14 0.23 -0.07 -0.29 -0.37 0.00 0.00 177.43 177.06 1mm4 h ILE 14 N -0.55 1.19 -0.01 2.57 6.09 -1.39 -0.41 117.51 125.00 1mm4 h ILE 14 Ca -0.02 -0.79 -0.16 0.00 -1.37 0.00 0.00 64.86 62.53 1mm4 h ILE 14 Cb 0.43 1.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.79 1mm4 h ILE 14 CO 0.03 0.26 -0.71 0.00 -3.07 0.00 0.00 178.15 174.65 1mm4 h ALA 15 N 1.57 0.79 0.01 0.18 0.00 -1.34 -2.75 119.26 117.71 1mm4 h ALA 15 Ca 0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1mm4 h ALA 15 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1mm4 h ALA 15 CO 0.02 0.86 -0.06 1.96 0.00 0.00 0.00 179.25 182.03 1mm4 h GLN 16 N 0.05 0.03 -0.18 0.00 1.08 -0.53 -2.26 115.11 113.31 1mm4 h GLN 16 Ca -0.01 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1mm4 h GLN 16 Cb 1.26 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 1mm4 h GLN 16 CO 0.10 0.90 0.12 0.00 -0.95 0.00 0.00 178.83 179.00 1mm4 h THR 17 N -0.82 0.94 0.08 -0.54 1.03 -1.17 0.13 112.91 112.57 1mm4 h THR 17 Ca -0.01 -0.02 -0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1mm4 h THR 17 Cb 0.93 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 1mm4 h THR 17 CO 0.01 0.01 -0.04 -0.50 -0.01 0.00 0.00 175.52 174.99 1mm4 h TRP 18 N 0.06 -0.11 0.82 0.00 -0.00 -1.55 -3.38 115.95 111.79 1mm4 h TRP 18 Ca 0.08 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.93 1mm4 h TRP 18 Cb 0.25 0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 1mm4 h TRP 18 CO -0.00 0.20 -0.46 0.37 -0.00 0.00 0.00 178.44 178.56 1mm4 h GLN 19 N -0.99 -1.14 -5.12 0.49 5.75 -1.22 -3.48 115.11 109.39 1mm4 h GLN 19 Ca -0.01 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1mm4 h GLN 19 Cb 0.36 0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1mm4 h GLN 19 CO 0.02 -0.76 -0.27 0.94 -2.65 0.00 0.00 178.83 176.11 1mm4 n GLN 20 N -5.36 -1.79 -0.62 1.69 7.27 0.44 -4.97 117.38 114.04 1mm4 n GLN 20 Ca -0.15 1.76 -0.30 0.00 0.07 0.00 0.00 57.00 58.39 1mm4 n GLN 20 Cb 0.48 -5.36 0.18 0.00 2.41 0.00 0.00 30.24 27.95 1mm4 n GLN 20 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1mm4 n PRO 21 N -0.88 -1.93 -0.11 3.69 -0.02 -1.26 -4.99 135.00 129.51 1mm4 n PRO 21 Ca 0.07 -0.55 -0.24 0.00 -2.02 0.00 0.00 63.50 60.75 1mm4 n PRO 21 Cb 0.45 -1.67 -0.11 0.00 -0.02 0.00 0.00 33.50 32.15 1mm4 n PRO 21 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1mm4 n GLU 22 N -2.23 0.62 -3.71 -0.52 1.02 -1.26 -4.97 120.64 109.59 1mm4 n GLU 22 Ca 0.02 0.33 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1mm4 n GLU 22 Cb 0.57 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.48 -0.30 0.09 -0.32 3.76 -1.26 -4.91 115.29 109.87 1mm4 s HIS 23 Ca -0.33 0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 55.02 1mm4 s HIS 23 Cb 0.10 -0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.71 1mm4 s HIS 23 CO 0.58 -0.25 0.99 -0.47 -0.85 0.00 0.00 174.74 174.74 1mm4 s TYR 24 N 1.60 3.74 0.27 1.40 6.14 -0.89 -4.84 117.35 124.77 1mm4 s TYR 24 Ca -0.06 1.74 -0.11 0.00 0.64 0.00 0.00 57.07 59.28 1mm4 s TYR 24 Cb -0.11 -3.11 -0.08 0.00 0.42 0.00 0.00 41.96 39.08 1mm4 s TYR 24 CO -0.08 0.02 0.63 -0.51 0.64 0.00 0.00 175.55 176.25 1mm4 s ASP 25 N 0.25 6.67 -0.07 4.32 1.01 -0.84 -2.44 116.67 125.58 1mm4 s ASP 25 Ca 0.49 1.05 0.00 0.00 0.71 0.00 0.00 52.55 54.80 1mm4 s ASP 25 Cb -0.24 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.44 1mm4 s ASP 25 CO 0.30 -0.14 -0.04 -0.22 0.21 0.00 0.00 175.17 175.28 1mm4 s LEU 26 N -2.95 1.12 -0.36 1.23 0.20 0.33 -2.59 118.68 115.66 1mm4 s LEU 26 Ca 0.50 -0.16 -0.20 0.00 0.69 0.00 0.00 54.13 54.96 1mm4 s LEU 26 Cb -0.11 -0.55 0.00 0.00 -0.43 0.00 0.00 46.19 45.11 1mm4 s LEU 26 CO 0.20 -0.10 0.60 -0.31 -0.29 0.00 0.00 176.35 176.45 1mm4 s TYR 27 N 1.32 3.15 0.04 5.38 2.02 0.00 -2.38 117.35 126.89 1mm4 s TYR 27 Ca -0.04 0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.83 1mm4 s TYR 27 Cb -0.14 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1mm4 s TYR 27 CO -0.02 -0.62 0.19 0.96 -1.57 0.00 0.00 175.55 174.49 1mm4 s ILE 28 N 2.61 0.11 1.26 2.71 -5.25 -1.06 -2.17 121.20 119.41 1mm4 s ILE 28 Ca 0.22 -0.92 -0.20 0.00 -0.99 0.00 0.00 60.65 58.77 1mm4 s ILE 28 Cb -0.15 -0.93 0.31 0.00 2.95 0.00 0.00 42.46 44.64 1mm4 s ILE 28 CO 0.15 -0.51 1.06 -2.16 -1.79 0.00 0.00 174.94 171.69 1mm4 s PRO 29 N -2.64 -1.64 0.00 0.37 0.04 -1.26 -1.37 135.00 128.51 1mm4 s PRO 29 Ca -0.05 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.01 1mm4 s PRO 29 Cb -0.01 -1.54 -0.01 0.00 0.04 0.00 0.00 34.50 32.98 1mm4 s PRO 29 CO -0.04 -4.01 1.04 0.00 0.04 0.00 0.00 177.00 174.03 1mm4 h ALA 30 N -2.80 -1.01 -1.97 8.56 0.00 -1.94 -3.40 119.26 116.70 1mm4 h ALA 30 Ca -0.46 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 1mm4 h ALA 30 Cb 1.31 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 1mm4 h ALA 30 CO 0.34 -1.00 -0.62 0.96 0.00 0.00 0.00 179.25 178.93 1mm4 s ILE 31 N -3.20 1.41 -0.30 0.00 -4.36 -1.26 -5.01 121.20 108.48 1mm4 s ILE 31 Ca -0.01 -2.02 -0.02 0.00 -0.26 0.00 0.00 60.65 58.34 1mm4 s ILE 31 Cb 0.00 -2.78 0.19 0.00 1.25 0.00 0.00 42.46 41.12 1mm4 s ILE 31 CO 0.04 -0.05 0.65 0.42 0.24 0.00 0.00 174.94 176.24 1mm4 s THR 32 N -3.15 -0.93 0.04 8.37 -4.23 -1.26 -5.09 115.64 109.40 1mm4 s THR 32 Ca 0.35 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1mm4 s THR 32 Cb 0.08 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1mm4 s THR 32 CO 0.15 0.00 0.00 0.79 -0.54 0.00 0.00 174.62 175.02 1mm4 n TRP 33 N 5.43 -4.77 -3.74 3.99 7.02 -1.26 -4.98 117.44 119.14 1mm4 n TRP 33 Ca -0.01 2.84 -0.28 0.00 -1.02 0.00 0.00 57.50 59.03 1mm4 n TRP 33 Cb 0.52 -3.81 -0.12 0.00 -2.42 0.00 0.00 31.31 25.48 1mm4 n TRP 33 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1mm4 s HIS 34 N -0.58 2.72 -0.12 -5.99 2.46 -1.26 -5.08 115.29 107.43 1mm4 s HIS 34 Ca 0.00 -2.98 -0.00 0.00 0.47 0.00 0.00 55.06 52.55 1mm4 s HIS 34 Cb 0.00 -2.12 -0.02 0.00 -0.13 0.00 0.00 32.58 30.31 1mm4 s HIS 34 CO 0.00 -0.65 -0.11 0.00 -2.47 0.00 0.00 174.74 171.51 1mm4 s ALA 35 N -0.87 2.72 -0.52 1.58 0.00 -1.26 -5.01 121.76 118.41 1mm4 s ALA 35 Ca 0.27 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1mm4 s ALA 35 Cb -0.04 -1.25 0.54 0.00 0.00 0.00 0.00 23.12 22.38 1mm4 s ALA 35 CO -0.16 0.30 1.86 0.54 0.00 0.00 0.00 175.76 178.30 1mm4 n ARG 36 N 3.29 2.50 -3.88 0.00 5.12 -1.26 -4.93 116.66 117.50 1mm4 n ARG 36 Ca -0.18 -3.24 -0.11 0.00 -1.93 0.00 0.00 57.85 52.39 1mm4 n ARG 36 Cb 0.53 -2.19 -0.12 0.00 -1.16 0.00 0.00 32.46 29.52 1mm4 n ARG 36 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1mm4 s PHE 37 N -3.55 0.01 0.45 -1.55 2.19 -1.26 -5.16 117.98 109.10 1mm4 s PHE 37 Ca 0.59 -0.01 -0.07 0.00 0.33 0.00 0.00 56.93 57.76 1mm4 s PHE 37 Cb 0.48 -0.03 0.12 0.00 -1.31 0.00 0.00 43.02 42.27 1mm4 s PHE 37 CO 0.04 -0.16 0.26 0.00 1.83 0.00 0.00 175.22 177.20 1mm4 n ALA 38 N 2.24 -1.60 -3.96 11.12 0.00 -1.26 -4.99 120.51 122.06 1mm4 n ALA 38 Ca -0.18 -0.47 -0.31 0.00 0.00 0.00 0.00 53.44 52.49 1mm4 n ALA 38 Cb 0.57 -0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1mm4 n ALA 38 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1mm4 s TYR 39 N -1.33 3.35 0.04 0.00 1.13 -1.26 -5.10 117.35 114.18 1mm4 s TYR 39 Ca 0.20 -2.94 -0.28 0.00 -1.41 0.00 0.00 57.07 52.64 1mm4 s TYR 39 Cb -0.04 -2.76 -0.05 0.00 -1.10 0.00 0.00 41.96 38.02 1mm4 s TYR 39 CO 0.17 -0.87 0.90 -0.51 -2.51 0.00 0.00 175.55 172.73 1mm4 s ASP 40 N 0.55 7.34 -0.78 -0.18 1.11 -1.26 -4.99 116.67 118.46 1mm4 s ASP 40 Ca 0.13 1.61 -0.26 0.00 0.18 0.00 0.00 52.55 54.21 1mm4 s ASP 40 Cb -0.21 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.26 1mm4 s ASP 40 CO -0.06 -0.12 1.39 -0.54 1.18 0.00 0.00 175.17 177.03 1mm4 s LYS 41 N 0.40 3.18 0.00 8.23 3.01 -1.26 -4.65 119.74 128.65 1mm4 s LYS 41 Ca 0.46 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.10 1mm4 s LYS 41 Cb -0.21 -4.45 0.00 0.00 -1.01 0.00 0.00 37.83 32.16 1mm4 s LYS 41 CO 0.26 -2.26 0.00 -1.91 0.51 0.00 0.00 175.35 171.95 1mm4 n GLU 42 N 9.25 0.00 -1.82 1.68 4.07 -1.26 -5.08 120.64 127.49 1mm4 n GLU 42 Ca 0.12 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.92 1mm4 n GLU 42 Cb 0.50 -0.64 0.06 0.00 -0.06 0.00 0.00 31.44 31.30 1mm4 n GLU 42 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1mm4 s LYS 43 N -1.92 2.58 0.22 5.31 2.47 -1.26 -5.09 119.74 122.04 1mm4 s LYS 43 Ca 0.00 0.45 -0.13 0.00 -1.56 0.00 0.00 55.97 54.73 1mm4 s LYS 43 Cb 0.00 -1.99 -0.00 0.00 -1.46 0.00 0.00 37.83 34.38 1mm4 s LYS 43 CO 0.00 -1.23 0.45 -0.08 0.16 0.00 0.00 175.35 174.65 1mm4 s THR 44 N -3.35 0.02 0.03 3.43 -1.32 -1.26 -5.14 115.64 108.06 1mm4 s THR 44 Ca 0.59 -1.30 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1mm4 s THR 44 Cb -0.12 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 1mm4 s THR 44 CO 0.52 -0.08 0.00 0.47 -2.21 0.00 0.00 174.62 173.32 1mm4 n ASP 45 N -0.34 -4.74 -2.35 8.08 8.00 -1.26 -5.03 116.55 118.91 1mm4 n ASP 45 Ca -0.04 0.15 -0.04 0.00 0.71 0.00 0.00 54.79 55.57 1mm4 n ASP 45 Cb 0.62 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.74 -3.92 -2.43 -1.24 0.63 -1.26 -4.94 116.66 101.76 1mm4 n ARG 46 Ca 0.00 3.01 -0.40 0.00 -0.92 0.00 0.00 57.85 59.54 1mm4 n ARG 46 Cb 0.06 -4.30 -0.04 0.00 0.45 0.00 0.00 32.46 28.63 1mm4 n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1mm4 s TYR 47 N -0.54 3.51 0.05 -0.14 2.02 -1.26 -5.05 117.35 115.95 1mm4 s TYR 47 Ca -0.20 1.67 0.09 0.00 -0.37 0.00 0.00 57.07 58.26 1mm4 s TYR 47 Cb 0.01 -3.33 -0.03 0.00 -0.40 0.00 0.00 41.96 38.21 1mm4 s TYR 47 CO 0.54 -0.71 -0.25 -0.80 -1.57 0.00 0.00 175.55 172.75 1mm4 s ASN 48 N -0.84 3.04 0.13 2.29 -0.87 -1.26 -5.14 114.94 112.29 1mm4 s ASN 48 Ca 0.45 -0.60 0.08 0.00 -1.57 0.00 0.00 52.86 51.23 1mm4 s ASN 48 Cb -0.33 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.25 40.60 1mm4 s ASN 48 CO 0.42 0.23 -0.10 -0.70 -2.57 0.00 0.00 177.10 174.38 1mm4 s GLU 49 N -1.32 2.07 -0.51 -0.60 -6.30 -1.26 -5.09 118.70 105.69 1mm4 s GLU 49 Ca 0.11 -1.13 -0.22 0.00 -2.50 0.00 0.00 54.97 51.24 1mm4 s GLU 49 Cb -0.10 -2.23 0.04 0.00 0.00 0.00 0.00 34.13 31.84 1mm4 s GLU 49 CO 0.02 0.48 0.76 1.03 0.02 0.00 0.00 175.26 177.57 1mm4 s ARG 50 N -2.44 3.24 0.74 4.30 1.81 -1.26 -5.05 118.95 120.29 1mm4 s ARG 50 Ca 0.22 -0.53 -0.13 0.00 -1.72 0.00 0.00 55.73 53.58 1mm4 s ARG 50 Cb -0.10 -4.05 0.04 0.00 -0.45 0.00 0.00 34.95 30.39 1mm4 s ARG 50 CO 0.14 -1.29 1.11 -1.25 -0.68 0.00 0.00 175.30 173.34 1mm4 s PRO 51 N 3.20 2.35 0.55 3.54 0.04 -1.26 -5.07 135.00 138.35 1mm4 s PRO 51 Ca 0.23 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.65 1mm4 s PRO 51 Cb -0.15 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1mm4 s PRO 51 CO 0.16 -1.59 0.31 -1.58 0.04 0.00 0.00 177.00 174.34 1mm4 s TRP 52 N -2.59 1.57 0.00 0.56 0.51 -1.26 -5.09 118.94 112.64 1mm4 s TRP 52 Ca 0.65 -0.91 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 1mm4 s TRP 52 Cb -0.20 -1.82 0.00 0.00 -0.81 0.00 0.00 33.47 30.64 1mm4 s TRP 52 CO 0.50 -0.35 0.00 0.41 -0.51 0.00 0.00 176.95 176.99 1mm4 n GLY 53 N -1.68 0.69 0.00 0.98 0.00 -1.25 -4.24 105.19 99.69 1mm4 n GLY 53 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.81 0.00 -0.02 0.00 -1.07 -4.74 105.19 100.17 1mm4 n GLY 54 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 -0.58 3.32 -0.02 0.00 -0.92 -0.82 105.19 106.17 1mm4 n GLY 55 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 1mm4 n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm4 s PHE 56 N -3.27 1.56 -0.01 1.61 0.08 -1.07 -0.82 117.98 116.06 1mm4 s PHE 56 Ca 0.00 -1.38 -0.30 0.00 0.12 0.00 0.00 56.93 55.37 1mm4 s PHE 56 Cb 0.00 -0.82 0.12 0.00 -0.57 0.00 0.00 43.02 41.75 1mm4 s PHE 56 CO 0.00 -0.55 1.28 0.20 -0.10 0.00 0.00 175.22 176.06 1mm4 s GLY 57 N -3.35 -0.40 0.43 4.36 0.00 -1.07 -0.42 107.32 106.88 1mm4 s GLY 57 Ca 0.36 0.65 0.03 0.00 0.00 0.00 0.00 44.72 45.76 1mm4 s GLY 57 CO 0.17 0.43 0.09 1.08 0.00 0.00 0.00 173.10 174.88 1mm4 s LEU 58 N -3.03 2.09 0.06 0.66 1.02 -0.02 -1.99 118.68 117.46 1mm4 s LEU 58 Ca 0.15 -1.66 -0.09 0.00 0.02 0.00 0.00 54.13 52.54 1mm4 s LEU 58 Cb 0.05 -0.28 0.00 0.00 0.02 0.00 0.00 46.19 45.98 1mm4 s LEU 58 CO -0.04 -0.90 0.20 -0.55 0.02 0.00 0.00 176.35 175.08 1mm4 s SER 59 N -3.68 0.06 -0.00 2.29 0.15 -1.26 -2.39 113.70 108.87 1mm4 s SER 59 Ca 0.19 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 1mm4 s SER 59 Cb 0.02 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1mm4 s SER 59 CO 0.12 -0.65 0.17 0.00 1.20 0.00 0.00 173.24 174.07 1mm4 s ARG 60 N -3.21 0.51 -0.03 5.44 1.70 -0.96 -4.99 118.95 117.41 1mm4 s ARG 60 Ca -0.00 -0.36 -0.13 0.00 -0.47 0.00 0.00 55.73 54.77 1mm4 s ARG 60 Cb 0.02 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1mm4 s ARG 60 CO -0.07 -0.13 0.35 1.67 -1.08 0.00 0.00 175.30 176.04 1mm4 s TRP 61 N -1.36 3.70 -0.15 5.89 1.48 -1.26 -2.49 118.94 124.74 1mm4 s TRP 61 Ca -0.14 0.89 -0.00 0.00 -1.06 0.00 0.00 56.10 55.78 1mm4 s TRP 61 Cb -0.07 -2.22 -0.01 0.00 -1.16 0.00 0.00 33.47 30.01 1mm4 s TRP 61 CO 0.02 0.65 -0.13 0.34 -4.06 0.00 0.00 176.95 173.78 1mm4 s ASP 62 N -1.03 3.93 0.62 -2.66 3.68 0.47 -4.99 116.67 116.70 1mm4 s ASP 62 Ca 0.22 -0.38 0.27 0.00 2.13 0.00 0.00 52.55 54.79 1mm4 s ASP 62 Cb -0.16 -1.61 1.42 0.00 -1.45 0.00 0.00 42.92 41.12 1mm4 s ASP 62 CO 0.11 0.11 1.82 1.05 0.13 0.00 0.00 175.17 178.40 1mm4 h GLU 63 N 7.09 0.00 -0.92 4.34 4.11 -1.98 0.26 114.58 127.47 1mm4 h GLU 63 Ca -0.30 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.98 1mm4 h GLU 63 Cb 1.20 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 1mm4 h GLU 63 CO 0.57 0.00 0.19 1.17 0.07 0.00 0.00 179.01 181.01 1mm4 n LYS 64 N -3.32 2.09 -3.37 1.06 0.00 -1.26 -4.86 118.16 108.51 1mm4 n LYS 64 Ca 0.05 -1.46 -0.17 0.00 0.00 0.00 0.00 58.31 56.72 1mm4 n LYS 64 Cb 0.63 -1.68 0.08 0.00 0.00 0.00 0.00 35.03 34.06 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mm4 n GLY 65 N -0.06 -0.34 2.95 3.14 0.00 0.90 -5.02 105.19 106.77 1mm4 n GLY 65 Ca 0.23 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.09 1.28 -0.47 1.61 -0.87 -1.09 -4.65 114.94 106.65 1mm4 s ASN 66 Ca 0.10 -0.20 -0.08 0.00 -1.57 0.00 0.00 52.86 51.12 1mm4 s ASN 66 Cb -0.05 -0.60 0.12 0.00 -0.02 0.00 0.00 41.25 40.71 1mm4 s ASN 66 CO 0.68 -0.01 0.33 0.26 -2.57 0.00 0.00 177.10 175.79 1mm4 s TRP 67 N 0.76 3.47 0.21 2.20 0.52 -0.04 -0.39 118.94 125.68 1mm4 s TRP 67 Ca -0.13 -2.04 -0.30 0.00 0.02 0.00 0.00 56.10 53.66 1mm4 s TRP 67 Cb -0.15 -3.44 -0.08 0.00 -1.15 0.00 0.00 33.47 28.65 1mm4 s TRP 67 CO 0.02 -0.98 0.99 -1.01 0.02 0.00 0.00 176.95 175.98 1mm4 s HIS 68 N 1.21 3.85 -0.08 -1.98 3.76 -1.04 -1.04 115.29 119.98 1mm4 s HIS 68 Ca 0.07 1.83 -0.01 0.00 -0.15 0.00 0.00 55.06 56.80 1mm4 s HIS 68 Cb -0.25 -3.07 0.03 0.00 1.11 0.00 0.00 32.58 30.40 1mm4 s HIS 68 CO -0.02 0.15 -0.01 0.20 -0.85 0.00 0.00 174.74 174.21 1mm4 s GLY 69 N -0.80 0.52 -0.15 -2.22 0.00 -0.84 -2.27 107.32 101.57 1mm4 s GLY 69 Ca 0.44 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1mm4 s GLY 69 CO 0.33 1.09 -0.16 0.48 0.00 0.00 0.00 173.10 174.84 1mm4 s LEU 70 N 1.92 1.78 0.10 0.66 0.05 -1.00 -2.48 118.68 119.70 1mm4 s LEU 70 Ca 0.05 -0.51 -0.02 0.00 0.05 0.00 0.00 54.13 53.70 1mm4 s LEU 70 Cb -0.12 -1.23 -0.04 0.00 -2.05 0.00 0.00 46.19 42.76 1mm4 s LEU 70 CO -0.06 -0.03 0.04 -0.72 -0.55 0.00 0.00 176.35 175.04 1mm4 s TYR 71 N 1.36 0.64 -0.08 3.48 1.13 -0.55 -0.84 117.35 122.49 1mm4 s TYR 71 Ca 0.03 -1.09 -0.02 0.00 -1.41 0.00 0.00 57.07 54.58 1mm4 s TYR 71 Cb -0.13 -0.39 0.03 0.00 -1.10 0.00 0.00 41.96 40.37 1mm4 s TYR 71 CO -0.09 -0.48 0.01 0.00 -2.51 0.00 0.00 175.55 172.48 1mm4 s ALA 72 N -3.98 0.68 0.44 9.51 0.00 0.44 -0.91 121.76 127.94 1mm4 s ALA 72 Ca 0.15 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.03 1mm4 s ALA 72 Cb 0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1mm4 s ALA 72 CO -0.04 -0.52 0.08 0.00 0.00 0.00 0.00 175.76 175.29 1mm4 s MET 73 N 1.98 2.11 -0.09 0.00 0.23 0.45 -2.59 119.30 121.39 1mm4 s MET 73 Ca 0.05 -2.10 -0.11 0.00 -1.03 0.00 0.00 55.69 52.50 1mm4 s MET 73 Cb -0.13 -1.74 0.03 0.00 -1.53 0.00 0.00 34.83 31.46 1mm4 s MET 73 CO -0.05 -0.18 0.28 0.00 -2.03 0.00 0.00 175.02 173.04 1mm4 s ALA 74 N -2.72 -0.70 -0.17 3.16 0.00 0.00 -1.35 121.76 119.98 1mm4 s ALA 74 Ca 0.30 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1mm4 s ALA 74 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1mm4 s ALA 74 CO 0.16 -0.16 -0.08 -0.06 0.00 0.00 0.00 175.76 175.62 1mm4 s PHE 75 N -0.21 2.91 -0.20 0.00 0.40 -1.07 -2.58 117.98 117.23 1mm4 s PHE 75 Ca -0.03 -0.69 0.01 0.00 -0.60 0.00 0.00 56.93 55.62 1mm4 s PHE 75 Cb -0.03 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.57 1mm4 s PHE 75 CO 0.01 -0.30 -0.14 0.21 0.70 0.00 0.00 175.22 175.70 1mm4 s LYS 76 N 0.77 2.40 0.68 0.44 2.20 -1.26 -2.12 119.74 122.85 1mm4 s LYS 76 Ca -0.03 -0.93 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1mm4 s LYS 76 Cb -0.15 -2.54 0.17 0.00 -1.51 0.00 0.00 37.83 33.80 1mm4 s LYS 76 CO 0.02 -0.38 0.66 -0.25 -0.36 0.00 0.00 175.35 175.04 1mm4 n ASP 77 N 4.61 -1.28 0.01 1.43 9.92 -0.82 -4.49 116.55 125.94 1mm4 n ASP 77 Ca -0.17 -0.96 -0.10 0.00 -0.53 0.00 0.00 54.79 53.03 1mm4 n ASP 77 Cb 0.47 -0.58 -0.14 0.00 -0.64 0.00 0.00 41.12 40.23 1mm4 n ASP 77 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1mm4 h SER 78 N -1.79 0.07 0.00 -2.24 0.02 -2.00 -3.42 113.55 104.18 1mm4 h SER 78 Ca -0.24 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1mm4 h SER 78 Cb 0.71 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1mm4 h SER 78 CO 0.16 1.10 0.00 0.79 -1.14 0.00 0.00 176.83 177.74 1mm4 n TRP 79 N -3.20 0.00 -2.14 3.45 7.02 -1.26 -4.97 117.44 116.34 1mm4 n TRP 79 Ca -0.13 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.32 1mm4 n TRP 79 Cb 1.02 -0.09 0.01 0.00 -2.42 0.00 0.00 31.31 29.83 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 -0.99 -0.60 -4.30 -0.99 3.02 -1.26 -5.07 115.26 105.08 1mm4 n ASN 80 Ca 0.00 -1.27 -0.44 0.00 -0.03 0.00 0.00 54.58 52.84 1mm4 n ASN 80 Cb 0.00 0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1mm4 n ASN 80 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1mm4 s LYS 81 N 0.03 3.99 -0.13 3.52 3.01 -1.26 -4.96 119.74 123.93 1mm4 s LYS 81 Ca 0.02 -3.16 -0.01 0.00 -1.01 0.00 0.00 55.97 51.80 1mm4 s LYS 81 Cb 0.10 -4.44 -0.02 0.00 -1.01 0.00 0.00 37.83 32.46 1mm4 s LYS 81 CO -0.03 -1.25 -0.08 -0.46 0.51 0.00 0.00 175.35 174.04 1mm4 s TRP 82 N -1.15 2.91 -0.05 3.18 -0.00 -1.26 -1.94 118.94 120.64 1mm4 s TRP 82 Ca 0.29 -0.39 -0.05 0.00 -0.00 0.00 0.00 56.10 55.94 1mm4 s TRP 82 Cb -0.10 -1.87 0.01 0.00 -0.00 0.00 0.00 33.47 31.52 1mm4 s TRP 82 CO -0.09 -0.05 0.14 -1.21 -0.00 0.00 0.00 176.95 175.74 1mm4 s GLU 83 N 0.17 0.22 0.61 5.86 2.02 -0.90 -5.03 118.70 121.65 1mm4 s GLU 83 Ca -0.04 0.11 -0.14 0.00 0.02 0.00 0.00 54.97 54.91 1mm4 s GLU 83 Cb -0.14 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 1mm4 s GLU 83 CO 0.04 -0.03 1.04 -1.25 0.02 0.00 0.00 175.26 175.08 1mm4 s PRO 84 N -0.16 3.35 -0.17 0.39 0.04 -1.26 -2.60 135.00 134.60 1mm4 s PRO 84 Ca -0.02 1.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.99 1mm4 s PRO 84 Cb -0.02 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1mm4 s PRO 84 CO 0.00 -0.77 0.37 0.42 0.04 0.00 0.00 177.00 177.06 1mm4 s ILE 85 N -2.72 -0.34 0.24 0.56 1.01 -0.46 -4.81 121.20 114.68 1mm4 s ILE 85 Ca 0.60 0.16 0.10 0.00 0.00 0.00 0.00 60.65 61.51 1mm4 s ILE 85 Cb -0.14 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1mm4 s ILE 85 CO 0.43 0.07 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 1mm4 s ALA 86 N 2.05 3.03 -0.09 9.38 0.00 -1.07 -0.41 121.76 134.63 1mm4 s ALA 86 Ca -0.04 -1.62 -0.07 0.00 0.00 0.00 0.00 51.96 50.23 1mm4 s ALA 86 Cb -0.11 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.35 1mm4 s ALA 86 CO -0.12 0.34 0.24 0.20 0.00 0.00 0.00 175.76 176.43 1mm4 s GLY 87 N -3.34 -0.17 -0.24 0.00 0.00 -0.09 -2.52 107.32 100.96 1mm4 s GLY 87 Ca 0.29 0.78 -0.13 0.00 0.00 0.00 0.00 44.72 45.66 1mm4 s GLY 87 CO 0.17 0.80 0.59 -0.47 0.00 0.00 0.00 173.10 174.19 1mm4 s TYR 88 N 0.49 -0.93 0.00 1.90 6.14 -0.66 -1.48 117.35 122.81 1mm4 s TYR 88 Ca -0.03 1.86 0.00 0.00 0.64 0.00 0.00 57.07 59.54 1mm4 s TYR 88 Cb -0.04 0.52 0.00 0.00 0.42 0.00 0.00 41.96 42.86 1mm4 s TYR 88 CO -0.03 -0.48 0.00 0.41 0.64 0.00 0.00 175.55 176.10 1mm4 n GLY 89 N 4.43 1.98 3.01 8.97 0.00 -1.04 -0.43 105.19 122.11 1mm4 n GLY 89 Ca -0.20 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1mm4 n GLY 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1mm4 s TRP 90 N -2.50 0.43 -0.01 1.61 1.48 -0.84 -1.99 118.94 117.12 1mm4 s TRP 90 Ca 0.00 -0.52 -0.03 0.00 -1.06 0.00 0.00 56.10 54.50 1mm4 s TRP 90 Cb 0.00 -0.28 0.00 0.00 -1.16 0.00 0.00 33.47 32.04 1mm4 s TRP 90 CO 0.00 -0.15 0.06 -1.21 -4.06 0.00 0.00 176.95 171.59 1mm4 s GLU 91 N -1.51 0.18 -0.43 3.25 8.01 -0.20 -2.12 118.70 125.87 1mm4 s GLU 91 Ca -0.14 -0.09 -0.23 0.00 0.01 0.00 0.00 54.97 54.52 1mm4 s GLU 91 Cb -0.10 0.07 0.02 0.00 -4.31 0.00 0.00 34.13 29.82 1mm4 s GLU 91 CO -0.00 -0.03 0.78 -1.12 0.01 0.00 0.00 175.26 174.89 1mm4 s SER 92 N -0.42 6.44 0.41 -0.19 0.01 0.43 -0.86 113.70 119.52 1mm4 s SER 92 Ca -0.05 -0.00 -0.22 0.00 1.31 0.00 0.00 55.95 56.99 1mm4 s SER 92 Cb -0.03 -2.39 -0.11 0.00 0.21 0.00 0.00 66.02 63.71 1mm4 s SER 92 CO 0.00 -0.87 0.95 0.42 0.41 0.00 0.00 173.24 174.15 1mm4 s THR 93 N 3.23 4.34 -0.15 1.44 -4.23 -1.26 -2.59 115.64 116.43 1mm4 s THR 93 Ca 0.30 1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 62.25 1mm4 s THR 93 Cb -0.12 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.08 1mm4 s THR 93 CO 0.21 -0.23 0.37 0.86 -0.54 0.00 0.00 174.62 175.30 1mm4 s TRP 94 N -2.06 -0.46 0.13 3.99 -0.11 0.35 -4.98 118.94 115.80 1mm4 s TRP 94 Ca 0.60 1.07 0.09 0.00 1.22 0.00 0.00 56.10 59.08 1mm4 s TRP 94 Cb -0.11 0.17 -0.04 0.00 -1.50 0.00 0.00 33.47 31.99 1mm4 s TRP 94 CO 0.15 -0.25 -0.22 1.03 -4.62 0.00 0.00 176.95 173.05 1mm4 s ARG 95 N 0.66 1.26 0.48 5.86 0.52 -1.26 -2.13 118.95 124.34 1mm4 s ARG 95 Ca -0.04 -1.29 0.27 0.00 -0.52 0.00 0.00 55.73 54.15 1mm4 s ARG 95 Cb -0.05 -1.54 1.10 0.00 0.52 0.00 0.00 34.95 34.99 1mm4 s ARG 95 CO -0.04 0.35 1.90 -1.00 0.02 0.00 0.00 175.30 176.52 1mm4 h PRO 96 N 3.76 0.00 -5.05 3.54 0.13 -2.00 -3.48 132.00 128.89 1mm4 h PRO 96 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1mm4 h PRO 96 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1mm4 h PRO 96 CO 0.43 0.16 -0.41 1.28 -0.23 0.00 0.00 178.00 179.22 1mm4 n LEU 97 N -3.34 -7.27 0.04 1.56 4.77 -1.26 -4.94 117.00 106.56 1mm4 n LEU 97 Ca -0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1mm4 n LEU 97 Cb 0.37 -3.16 0.00 0.00 -2.33 0.00 0.00 43.42 38.31 1mm4 n LEU 97 CO 0.31 -2.04 0.00 0.00 -1.33 0.00 0.00 177.39 174.33 1mm4 n ALA 98 N -0.43 0.00 -0.03 -1.18 0.00 -1.26 -4.97 120.51 112.64 1mm4 n ALA 98 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 1mm4 n ALA 98 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.83 2.39 -2.61 0.00 8.00 -1.26 -5.08 116.55 115.16 1mm4 n ASP 99 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1mm4 n ASP 99 Cb 0.00 1.08 0.01 0.00 -0.02 0.00 0.00 41.12 42.19 1mm4 n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mm4 n GLU 100 N -2.18 -1.88 0.00 -1.24 -0.58 -1.26 -4.99 120.64 108.50 1mm4 n GLU 100 Ca -0.11 1.79 0.00 0.00 -0.42 0.00 0.00 57.16 58.42 1mm4 n GLU 100 Cb 0.62 -4.92 0.00 0.00 -0.57 0.00 0.00 31.44 26.56 1mm4 n GLU 100 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1mm4 n ASN 101 N -0.44 0.00 -4.54 1.62 0.23 -1.26 -5.07 115.26 105.80 1mm4 n ASN 101 Ca 0.09 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.71 1mm4 n ASN 101 Cb 0.39 0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 38.23 1mm4 n ASN 101 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1mm4 s PHE 102 N -1.64 3.04 -0.26 -2.53 2.19 -1.26 -4.28 117.98 113.23 1mm4 s PHE 102 Ca 0.00 0.18 -0.06 0.00 0.33 0.00 0.00 56.93 57.38 1mm4 s PHE 102 Cb 0.00 -3.51 -0.01 0.00 -1.31 0.00 0.00 43.02 38.19 1mm4 s PHE 102 CO 0.00 -0.90 0.04 -1.58 1.83 0.00 0.00 175.22 174.61 1mm4 s HIS 103 N 3.11 3.07 0.07 10.12 2.46 0.30 -4.33 115.29 130.08 1mm4 s HIS 103 Ca 0.28 -0.80 0.05 0.00 0.47 0.00 0.00 55.06 55.07 1mm4 s HIS 103 Cb -0.13 -2.20 -0.04 0.00 -0.13 0.00 0.00 32.58 30.08 1mm4 s HIS 103 CO 0.20 -0.50 -0.06 -0.48 -2.47 0.00 0.00 174.74 171.43 1mm4 s LEU 104 N 1.53 3.19 0.14 8.88 0.05 -0.90 -1.42 118.68 130.14 1mm4 s LEU 104 Ca 0.05 -0.26 -0.17 0.00 0.05 0.00 0.00 54.13 53.80 1mm4 s LEU 104 Cb -0.16 -1.92 0.04 0.00 -2.05 0.00 0.00 46.19 42.10 1mm4 s LEU 104 CO 0.01 0.21 0.44 -0.83 -0.55 0.00 0.00 176.35 175.64 1mm4 s GLY 105 N -1.98 -0.25 -0.25 -3.48 0.00 0.31 -0.49 107.32 101.17 1mm4 s GLY 105 Ca 0.21 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.63 1mm4 s GLY 105 CO 0.13 -0.26 0.70 -2.27 0.00 0.00 0.00 173.10 171.40 1mm4 s LEU 106 N -2.82 -0.69 0.00 0.66 0.20 -1.07 -2.44 118.68 112.52 1mm4 s LEU 106 Ca 0.04 1.37 0.00 0.00 0.69 0.00 0.00 54.13 56.23 1mm4 s LEU 106 Cb 0.01 2.43 0.00 0.00 -0.43 0.00 0.00 46.19 48.20 1mm4 s LEU 106 CO -0.10 -0.27 0.00 0.61 -0.29 0.00 0.00 176.35 176.30 1mm4 n GLY 107 N 2.57 0.87 3.38 7.98 0.00 -0.90 -0.43 105.19 118.66 1mm4 n GLY 107 Ca -0.14 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.07 2.28 -0.03 1.61 0.40 -0.90 -2.18 117.98 117.08 1mm4 s PHE 108 Ca 0.00 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1mm4 s PHE 108 Cb 0.00 -1.25 -0.00 0.00 0.51 0.00 0.00 43.02 42.28 1mm4 s PHE 108 CO 0.00 0.31 -0.12 0.95 0.70 0.00 0.00 175.22 177.05 1mm4 s THR 109 N -1.03 1.02 -0.29 0.64 -4.23 -1.05 -1.98 115.64 108.72 1mm4 s THR 109 Ca 0.13 -0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 60.08 1mm4 s THR 109 Cb -0.10 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.87 1mm4 s THR 109 CO 0.05 0.30 0.05 0.00 -0.54 0.00 0.00 174.62 174.49 1mm4 s ALA 110 N 0.04 2.97 -0.12 3.99 0.00 0.42 -1.60 121.76 127.47 1mm4 s ALA 110 Ca -0.02 -1.51 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 1mm4 s ALA 110 Cb -0.09 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 1mm4 s ALA 110 CO 0.01 -0.97 0.21 0.20 0.00 0.00 0.00 175.76 175.20 1mm4 s GLY 111 N 1.44 2.21 -0.04 0.00 0.00 -0.72 -1.66 107.32 108.54 1mm4 s GLY 111 Ca 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 44.72 44.24 1mm4 s GLY 111 CO 0.01 -0.08 -0.18 -1.34 0.00 0.00 0.00 173.10 171.51 1mm4 s VAL 112 N -0.60 2.74 -0.10 1.40 -7.23 -1.05 -0.42 120.40 115.14 1mm4 s VAL 112 Ca 0.16 -0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 59.43 1mm4 s VAL 112 Cb -0.13 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 34.81 1mm4 s VAL 112 CO 0.05 0.59 0.24 -0.89 -0.31 0.00 0.00 175.10 174.77 1mm4 s THR 113 N -0.64 -0.03 -0.18 5.32 2.01 -1.07 -2.59 115.64 118.45 1mm4 s THR 113 Ca 0.10 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 1mm4 s THR 113 Cb -0.11 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1mm4 s THR 113 CO 0.00 0.05 0.07 0.00 -0.69 0.00 0.00 174.62 174.06 1mm4 s ALA 114 N 1.09 3.46 -0.28 7.40 0.00 -1.26 -1.79 121.76 130.38 1mm4 s ALA 114 Ca -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1mm4 s ALA 114 Cb -0.09 -1.96 0.16 0.00 0.00 0.00 0.00 23.12 21.23 1mm4 s ALA 114 CO -0.07 0.19 0.43 0.50 0.00 0.00 0.00 175.76 176.81 1mm4 s ARG 115 N 0.32 0.42 0.16 0.00 6.06 -1.26 -4.93 118.95 119.71 1mm4 s ARG 115 Ca 0.04 0.31 -0.18 0.00 -2.50 0.00 0.00 55.73 53.40 1mm4 s ARG 115 Cb -0.12 -0.24 0.06 0.00 0.06 0.00 0.00 34.95 34.71 1mm4 s ARG 115 CO -0.00 -0.93 0.85 -3.47 -2.50 0.00 0.00 175.30 169.25 1mm4 n ASP 116 N 5.37 -1.47 -4.41 -2.12 -0.08 -1.26 -4.99 116.55 107.59 1mm4 n ASP 116 Ca 0.00 -1.78 -0.40 0.00 -1.51 0.00 0.00 54.79 51.10 1mm4 n ASP 116 Cb 0.50 2.39 -0.11 0.00 2.34 0.00 0.00 41.12 46.24 1mm4 n ASP 116 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1mm4 s ASN 117 N -3.02 5.71 -1.52 1.67 3.84 -1.26 -4.46 114.94 115.90 1mm4 s ASN 117 Ca 0.19 -0.82 -0.06 0.00 0.21 0.00 0.00 52.86 52.38 1mm4 s ASN 117 Cb -0.02 -2.03 0.01 0.00 -0.55 0.00 0.00 41.25 38.65 1mm4 s ASN 117 CO 0.05 -0.32 0.74 0.79 -2.79 0.00 0.00 177.10 175.57 1mm4 n TRP 118 N 5.00 -2.19 -3.95 0.43 8.01 -1.26 -4.98 117.44 118.51 1mm4 n TRP 118 Ca -0.12 0.64 -0.09 0.00 -1.31 0.00 0.00 57.50 56.62 1mm4 n TRP 118 Cb 0.47 -4.64 -0.08 0.00 -2.01 0.00 0.00 31.31 25.05 1mm4 n TRP 118 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 1mm4 s ASN 119 N -2.85 0.18 -0.41 -0.99 3.84 -1.26 -5.12 114.94 108.33 1mm4 s ASN 119 Ca 0.37 -0.81 0.05 0.00 0.21 0.00 0.00 52.86 52.68 1mm4 s ASN 119 Cb -0.16 0.34 0.19 0.00 -0.55 0.00 0.00 41.25 41.06 1mm4 s ASN 119 CO 0.46 -0.75 0.39 -1.22 -2.79 0.00 0.00 177.10 173.19 1mm4 n TYR 120 N -0.07 -0.68 -3.71 0.43 4.01 -1.26 -4.57 117.16 111.31 1mm4 n TYR 120 Ca -0.12 -3.39 -0.38 0.00 -0.16 0.00 0.00 57.90 53.84 1mm4 n TYR 120 Cb 0.62 0.09 -0.12 0.00 -0.31 0.00 0.00 39.34 39.62 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 -0.30 3.98 -0.06 -0.72 -4.36 -1.26 -5.07 121.20 113.41 1mm4 s ILE 121 Ca 0.33 -1.08 -0.30 0.00 -0.26 0.00 0.00 60.65 59.35 1mm4 s ILE 121 Cb 0.07 -3.26 -0.05 0.00 1.25 0.00 0.00 42.46 40.47 1mm4 s ILE 121 CO -0.18 -0.20 1.64 -2.16 0.24 0.00 0.00 174.94 174.28 1mm4 s PRO 122 N 1.44 4.16 -0.57 0.37 0.04 -1.26 -4.38 135.00 134.80 1mm4 s PRO 122 Ca -0.01 2.15 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 1mm4 s PRO 122 Cb -0.20 -3.98 0.14 0.00 0.04 0.00 0.00 34.50 30.50 1mm4 s PRO 122 CO 0.04 -0.86 0.54 -0.51 0.04 0.00 0.00 177.00 176.24 1mm4 s LEU 123 N 4.08 6.21 0.70 -3.56 1.43 -0.74 -4.84 118.68 121.96 1mm4 s LEU 123 Ca 0.73 -1.87 -0.14 0.00 -1.03 0.00 0.00 54.13 51.83 1mm4 s LEU 123 Cb -0.33 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.70 1mm4 s LEU 123 CO 0.29 -0.84 1.11 -2.16 0.23 0.00 0.00 176.35 174.98 1mm4 s PRO 124 N 1.50 2.58 -0.14 1.29 0.04 -1.25 -2.60 135.00 136.42 1mm4 s PRO 124 Ca 0.05 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 1mm4 s PRO 124 Cb -0.28 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1mm4 s PRO 124 CO 0.02 -1.42 0.33 0.08 0.04 0.00 0.00 177.00 176.05 1mm4 s VAL 125 N -2.50 -0.03 -0.24 -0.36 1.01 0.44 -4.91 120.40 113.81 1mm4 s VAL 125 Ca 0.66 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.50 1mm4 s VAL 125 Cb -0.20 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 1mm4 s VAL 125 CO 0.46 0.05 0.86 -0.76 0.00 0.00 0.00 175.10 175.71 1mm4 s LEU 126 N 1.28 4.09 -0.29 3.92 1.43 -1.26 -1.76 118.68 126.09 1mm4 s LEU 126 Ca -0.09 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1mm4 s LEU 126 Cb -0.09 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 43.01 1mm4 s LEU 126 CO -0.10 -0.54 0.23 -1.48 0.23 0.00 0.00 176.35 174.69 1mm4 s LEU 127 N 2.88 0.06 0.34 1.79 2.34 -0.63 -4.71 118.68 120.76 1mm4 s LEU 127 Ca 0.36 -0.97 -0.28 0.00 0.06 0.00 0.00 54.13 53.31 1mm4 s LEU 127 Cb -0.15 0.18 -0.09 0.00 -0.56 0.00 0.00 46.19 45.56 1mm4 s LEU 127 CO 0.07 -0.41 1.20 -2.16 -1.06 0.00 0.00 176.35 174.00 1mm4 s PRO 128 N 2.26 4.33 0.27 1.48 0.04 -1.26 -2.52 135.00 139.61 1mm4 s PRO 128 Ca 0.09 1.98 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1mm4 s PRO 128 Cb -0.15 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1mm4 s PRO 128 CO -0.34 -0.12 0.59 -0.48 0.04 0.00 0.00 177.00 176.69 1mm4 s LEU 129 N -1.93 0.10 0.07 -3.56 0.05 -0.93 -2.19 118.68 110.29 1mm4 s LEU 129 Ca 0.50 -0.84 -0.11 0.00 0.05 0.00 0.00 54.13 53.73 1mm4 s LEU 129 Cb -0.35 2.20 0.01 0.00 -2.05 0.00 0.00 46.19 46.00 1mm4 s LEU 129 CO 0.45 -1.26 0.24 0.00 -0.55 0.00 0.00 176.35 175.23 1mm4 s ALA 130 N -3.83 -0.46 -0.06 1.48 0.00 -1.06 -2.11 121.76 115.72 1mm4 s ALA 130 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1mm4 s ALA 130 Cb -0.03 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1mm4 s ALA 130 CO 0.09 -0.47 -0.10 -1.54 0.00 0.00 0.00 175.76 173.74 1mm4 s SER 131 N -2.47 1.48 -0.02 0.00 1.04 -1.02 -1.26 113.70 111.45 1mm4 s SER 131 Ca -0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1mm4 s SER 131 Cb 0.02 -0.67 0.02 0.00 0.10 0.00 0.00 66.02 65.49 1mm4 s SER 131 CO -0.08 0.01 0.02 0.68 0.98 0.00 0.00 173.24 174.85 1mm4 s VAL 132 N 0.68 0.00 -4.54 5.02 -7.23 -0.98 -0.53 120.40 112.83 1mm4 s VAL 132 Ca -0.13 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1mm4 s VAL 132 Cb -0.15 -0.10 0.00 0.00 0.56 0.00 0.00 36.38 36.69 1mm4 s VAL 132 CO 0.02 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1mm4 n GLY 133 N 3.85 0.38 3.88 2.32 0.00 -0.51 -2.56 105.19 112.55 1mm4 n GLY 133 Ca -0.23 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.00 3.53 0.14 1.61 6.14 0.44 -0.54 117.35 124.68 1mm4 s TYR 134 Ca 0.00 0.71 -0.30 0.00 0.64 0.00 0.00 57.07 58.12 1mm4 s TYR 134 Cb 0.00 -2.11 -0.05 0.00 0.42 0.00 0.00 41.96 40.22 1mm4 s TYR 134 CO 0.00 0.47 1.56 0.78 0.64 0.00 0.00 175.55 179.00 1mm4 h GLY 135 N 3.30 -0.79 1.93 8.97 0.00 -1.94 -0.45 103.07 114.08 1mm4 h GLY 135 Ca -0.48 0.65 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1mm4 h GLY 135 CO 0.69 -0.14 -0.07 -0.56 0.00 0.00 0.00 176.54 176.46 1mm4 h PRO 136 N -0.35 0.10 -3.36 4.80 0.13 -1.92 -3.40 132.00 128.00 1mm4 h PRO 136 Ca 0.11 -0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.74 1mm4 h PRO 136 Cb 0.59 -0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.30 1mm4 h PRO 136 CO -0.61 0.18 -0.76 0.14 -0.23 0.00 0.00 178.00 176.72 1mm4 s VAL 137 N -4.88 0.26 0.04 1.56 -7.23 -0.20 -1.93 120.40 108.02 1mm4 s VAL 137 Ca -0.05 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 1mm4 s VAL 137 Cb 0.16 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 1mm4 s VAL 137 CO 0.70 -0.20 -0.09 0.42 -0.31 0.00 0.00 175.10 175.62 1mm4 s THR 138 N 1.98 0.64 -0.23 5.32 -4.23 -1.04 -0.42 115.64 117.66 1mm4 s THR 138 Ca 0.01 -0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 59.46 1mm4 s THR 138 Cb -0.16 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1mm4 s THR 138 CO -0.08 -0.25 0.12 0.12 -0.54 0.00 0.00 174.62 173.99 1mm4 s PHE 139 N -1.12 3.24 -0.10 3.99 2.19 -1.06 -1.72 117.98 123.40 1mm4 s PHE 139 Ca -0.06 0.04 -0.03 0.00 0.33 0.00 0.00 56.93 57.20 1mm4 s PHE 139 Cb -0.09 -2.22 -0.03 0.00 -1.31 0.00 0.00 43.02 39.36 1mm4 s PHE 139 CO 0.01 -0.03 0.04 -0.65 1.83 0.00 0.00 175.22 176.42 1mm4 s GLN 140 N 1.07 3.11 -0.20 10.12 -0.21 -0.60 -2.31 119.66 130.65 1mm4 s GLN 140 Ca 0.06 -0.33 0.01 0.00 0.02 0.00 0.00 55.36 55.11 1mm4 s GLN 140 Cb -0.14 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 31.00 1mm4 s GLN 140 CO 0.04 0.72 -0.17 -1.64 -2.12 0.00 0.00 175.29 172.12 1mm4 s MET 141 N -0.90 2.89 -0.21 2.91 -1.94 -0.39 -2.12 119.30 119.54 1mm4 s MET 141 Ca 0.14 -0.90 -0.08 0.00 -1.71 0.00 0.00 55.69 53.13 1mm4 s MET 141 Cb -0.12 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 1mm4 s MET 141 CO 0.03 -0.28 0.08 0.99 -0.01 0.00 0.00 175.02 175.83 1mm4 s THR 142 N 1.28 4.81 -0.23 2.05 2.01 0.36 -2.58 115.64 123.34 1mm4 s THR 142 Ca 0.03 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1mm4 s THR 142 Cb -0.14 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1mm4 s THR 142 CO -0.11 0.41 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.90 1mm4 s TYR 143 N 0.74 2.98 -0.05 4.92 1.51 -0.93 -2.59 117.35 123.93 1mm4 s TYR 143 Ca 0.04 -0.93 -0.25 0.00 -1.01 0.00 0.00 57.07 54.93 1mm4 s TYR 143 Cb -0.13 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1mm4 s TYR 143 CO 0.02 -0.54 0.77 0.42 -1.11 0.00 0.00 175.55 175.11 1mm4 s ILE 144 N 1.48 5.00 0.01 2.71 1.01 -1.26 -4.06 121.20 126.09 1mm4 s ILE 144 Ca 0.05 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1mm4 s ILE 144 Cb -0.15 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1mm4 s ILE 144 CO -0.03 0.22 1.25 -2.16 0.00 0.00 0.00 174.94 174.23 1mm4 s PRO 145 N 0.90 4.37 0.00 2.79 0.04 -1.26 -4.81 135.00 137.03 1mm4 s PRO 145 Ca 0.41 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1mm4 s PRO 145 Cb -0.18 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1mm4 s PRO 145 CO 0.20 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1mm4 n GLY 146 N 3.37 -0.86 2.66 0.56 0.00 -1.26 -5.12 105.19 104.54 1mm4 n GLY 146 Ca 0.11 0.62 -0.00 0.00 0.00 0.00 0.00 46.02 46.74 1mm4 n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mm4 n THR 147 N 0.00-11.65 0.12 2.61 -1.04 -1.26 -5.02 114.28 98.04 1mm4 n THR 147 Ca 0.00 1.80 0.00 0.00 -2.04 0.00 0.00 64.05 63.81 1mm4 n THR 147 Cb 0.00 -6.80 0.00 0.00 -1.82 0.00 0.00 70.33 61.71 1mm4 n THR 147 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mm4 n TYR 148 N 0.70 -2.36 0.00 -1.42 9.36 -1.26 -5.07 117.16 117.11 1mm4 n TYR 148 Ca -0.01 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.72 1mm4 n TYR 148 Cb 0.02 1.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.78 1mm4 n TYR 148 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1mm4 n ASN 149 N -3.23 0.00 -3.98 2.98 0.23 -1.26 -5.16 115.26 104.84 1mm4 n ASN 149 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 1mm4 n ASN 149 Cb 0.00 0.30 -0.05 0.00 -2.08 0.00 0.00 39.78 37.95 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1mm4 s ASN 150 N -1.86 -0.11 0.00 0.53 2.47 -1.26 -4.97 114.94 109.73 1mm4 s ASN 150 Ca 0.00 -0.89 0.00 0.00 0.42 0.00 0.00 52.86 52.39 1mm4 s ASN 150 Cb 0.00 0.60 0.00 0.00 -1.45 0.00 0.00 41.25 40.40 1mm4 s ASN 150 CO 0.00 -1.16 0.00 0.61 -3.72 0.00 0.00 177.10 172.83 1mm4 n GLY 151 N -0.39 1.21 3.42 1.21 0.00 -1.26 -4.93 105.19 104.46 1mm4 n GLY 151 Ca -0.02 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1mm4 n GLY 151 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm4 s ASN 152 N -2.42 6.20 0.05 1.61 3.84 -1.26 -4.96 114.94 118.00 1mm4 s ASN 152 Ca 0.00 -1.13 0.04 0.00 0.21 0.00 0.00 52.86 51.98 1mm4 s ASN 152 Cb 0.00 -2.28 -0.02 0.00 -0.55 0.00 0.00 41.25 38.40 1mm4 s ASN 152 CO 0.00 -0.92 -0.11 0.54 -2.79 0.00 0.00 177.10 173.82 1mm4 s VAL 153 N 2.49 0.82 -0.18 -5.21 0.11 -1.26 -5.14 120.40 112.02 1mm4 s VAL 153 Ca 0.12 -1.05 -0.05 0.00 -2.93 0.00 0.00 61.98 58.07 1mm4 s VAL 153 Cb -0.21 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1mm4 s VAL 153 CO 0.09 -0.21 0.01 -0.31 -3.33 0.00 0.00 175.10 171.35 1mm4 s TYR 154 N -1.12 3.09 -0.25 1.54 1.51 -1.26 -4.51 117.35 116.35 1mm4 s TYR 154 Ca -0.04 -0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 1mm4 s TYR 154 Cb -0.09 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1mm4 s TYR 154 CO 0.01 -0.07 0.07 -0.06 -1.11 0.00 0.00 175.55 174.39 1mm4 s PHE 155 N 0.65 3.09 0.19 2.71 0.40 -1.07 -5.02 117.98 118.94 1mm4 s PHE 155 Ca 0.00 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 1mm4 s PHE 155 Cb -0.14 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1mm4 s PHE 155 CO 0.02 -0.34 -0.09 0.00 0.70 0.00 0.00 175.22 175.51 1mm4 s ALA 156 N 1.59 2.95 -0.11 5.36 0.00 -1.26 -0.48 121.76 129.80 1mm4 s ALA 156 Ca 0.06 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 1mm4 s ALA 156 Cb -0.15 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1mm4 s ALA 156 CO 0.04 0.44 0.30 -1.58 0.00 0.00 0.00 175.76 174.96 1mm4 s TRP 157 N -1.78 -0.34 0.13 0.00 0.51 -0.90 -4.83 118.94 111.73 1mm4 s TRP 157 Ca 0.26 0.81 -0.14 0.00 -2.12 0.00 0.00 56.10 54.91 1mm4 s TRP 157 Cb -0.08 0.11 -0.07 0.00 -0.81 0.00 0.00 33.47 32.62 1mm4 s TRP 157 CO 0.15 -0.17 0.53 -1.64 -0.51 0.00 0.00 176.95 175.31 1mm4 s MET 158 N 0.31 3.95 -0.06 4.98 -1.94 -0.47 -1.56 119.30 124.52 1mm4 s MET 158 Ca -0.01 0.45 0.06 0.00 -1.71 0.00 0.00 55.69 54.47 1mm4 s MET 158 Cb -0.03 -2.95 -0.01 0.00 2.01 0.00 0.00 34.83 33.85 1mm4 s MET 158 CO -0.01 0.49 -0.24 1.03 -0.01 0.00 0.00 175.02 176.29 1mm4 s ARG 159 N -1.93 2.57 0.03 2.03 1.81 -0.70 -2.58 118.95 120.17 1mm4 s ARG 159 Ca 0.37 -0.88 0.06 0.00 -1.72 0.00 0.00 55.73 53.56 1mm4 s ARG 159 Cb -0.15 -2.20 -0.02 0.00 -0.45 0.00 0.00 34.95 32.13 1mm4 s ARG 159 CO 0.19 0.40 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.96 1mm4 s PHE 160 N -0.20 1.64 -0.18 -0.53 0.40 -1.00 -2.51 117.98 115.60 1mm4 s PHE 160 Ca -0.02 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1mm4 s PHE 160 Cb -0.13 -1.00 0.04 0.00 0.51 0.00 0.00 43.02 42.43 1mm4 s PHE 160 CO 0.03 0.05 -0.09 -0.65 0.70 0.00 0.00 175.22 175.26 1mm4 s GLN 161 N -0.94 1.82 0.19 0.44 -0.21 -0.82 -0.51 119.66 119.63 1mm4 s GLN 161 Ca 0.06 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 54.78 1mm4 s GLN 161 Cb -0.08 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 1mm4 s GLN 161 CO 0.01 -0.41 0.13 1.97 -2.12 0.00 0.00 175.29 174.86 1mm4 n PHE 162 N 4.77 -0.26 -4.47 0.91 -1.74 -1.02 -4.67 117.46 110.97 1mm4 n PHE 162 Ca -0.14 -1.46 -0.29 0.00 -0.56 0.00 0.00 57.45 55.00 1mm4 n PHE 162 Cb 0.47 0.10 -0.13 0.00 1.52 0.00 0.00 39.48 41.45 1mm4 n PHE 162 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1mm4 s LEU 163 N 0.00 2.34 0.04 5.98 1.43 -1.26 -2.09 118.68 125.12 1mm4 s LEU 163 Ca 0.18 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1mm4 s LEU 163 Cb 0.01 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1mm4 s LEU 163 CO 0.13 0.19 -0.19 -0.70 0.23 0.00 0.00 176.35 176.01 1mm4 s GLU 164 N -1.92 1.30 0.04 1.70 2.56 -1.26 -5.06 118.70 116.06 1mm4 s GLU 164 Ca 0.14 -0.87 -0.02 0.00 0.00 0.00 0.00 54.97 54.22 1mm4 s GLU 164 Cb -0.10 -1.38 -0.01 0.00 2.00 0.00 0.00 34.13 34.65 1mm4 s GLU 164 CO 0.06 0.35 -0.03 1.58 -0.56 0.00 0.00 175.26 176.66 1mm4 n HIS 165 N 1.94 0.00 -4.39 5.30 -0.00 -1.26 -5.12 115.22 111.69 1mm4 n HIS 165 Ca -0.17 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.84 1mm4 n HIS 165 Cb 0.54 -0.04 -0.04 0.00 -0.12 0.00 0.00 29.99 30.33 1mm4 n HIS 165 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1mm4 n HIS 166 N -3.18 0.56 -3.79 1.57 8.25 -1.26 -5.17 115.22 112.19 1mm4 n HIS 166 Ca -0.01 -1.35 -0.05 0.00 -0.26 0.00 0.00 57.72 56.05 1mm4 n HIS 166 Cb 0.04 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 1mm4 n HIS 166 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1mm4 s HIS 167 N -2.04 -0.12 -0.19 4.41 -0.00 -1.26 -5.11 115.29 110.99 1mm4 s HIS 167 Ca 0.01 -0.24 -0.28 0.00 -0.00 0.00 0.00 55.06 54.55 1mm4 s HIS 167 Cb 0.00 0.67 -0.05 0.00 -0.00 0.00 0.00 32.58 33.20 1mm4 s HIS 167 CO 0.01 -0.97 2.19 -1.58 -0.00 0.00 0.00 174.74 174.39 1mm4 s HIS 168 N -3.35 1.18 0.49 0.38 2.46 -1.26 -4.96 115.29 110.22 1mm4 s HIS 168 Ca 0.13 0.41 0.03 0.00 0.47 0.00 0.00 55.06 56.10 1mm4 s HIS 168 Cb -0.03 -3.97 0.02 0.00 -0.13 0.00 0.00 32.58 28.47 1mm4 s HIS 168 CO 0.04 -4.28 0.69 -1.58 -2.47 0.00 0.00 174.74 167.14 1mm4 s HIS 169 N 7.83 2.94 0.00 3.88 2.46 -1.26 -5.34 115.29 125.80 1mm4 s HIS 169 Ca 0.99 -0.06 0.00 0.00 0.47 0.00 0.00 55.06 56.46 1mm4 s HIS 169 Cb -0.34 -2.53 0.00 0.00 -0.13 0.00 0.00 32.58 29.58 1mm4 s HIS 169 CO 0.36 -0.61 0.26 1.58 -2.47 0.00 0.00 174.74 173.86