#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 -7.61 0.33 3.17 2.85 -1.26 -4.45 115.26 108.30 1mm4 n ASN 2 Ca 0.00 0.73 0.22 0.00 -0.11 0.00 0.00 54.58 55.42 1mm4 n ASN 2 Cb 0.00 -5.12 1.16 0.00 1.24 0.00 0.00 39.78 37.06 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mm4 h ALA 3 N 2.14 1.08 0.10 5.20 0.00 -2.06 0.17 119.26 125.90 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 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1mm4 h ALA 3 CO 0.16 -0.04 -0.05 -0.44 0.00 0.00 0.00 179.25 178.88 1mm4 h ASP 4 N 0.00 -0.12 0.50 0.00 3.32 -2.01 -3.19 116.42 114.92 1mm4 h ASP 4 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1mm4 h ASP 4 Cb 0.08 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1mm4 h ASP 4 CO -0.00 0.47 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.70 1mm4 h GLU 5 N -0.99 0.00 -0.64 3.56 4.81 -1.80 -2.69 114.58 116.83 1mm4 h GLU 5 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1mm4 h GLU 5 Cb 0.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1mm4 h GLU 5 CO 0.02 0.21 0.26 -1.49 -0.73 0.00 0.00 179.01 177.29 1mm4 h TRP 6 N 0.00 0.94 -0.10 0.92 4.06 -0.76 -2.03 115.95 118.98 1mm4 h TRP 6 Ca -0.00 -0.05 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 1mm4 h TRP 6 Cb 0.52 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1mm4 h TRP 6 CO 0.00 0.71 -0.24 0.52 -3.56 0.00 0.00 178.44 175.87 1mm4 h MET 7 N 0.92 0.17 0.05 0.49 2.86 -1.46 -1.20 114.93 116.76 1mm4 h MET 7 Ca 0.22 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1mm4 h MET 7 Cb 0.17 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1mm4 h MET 7 CO -0.02 0.40 -0.02 1.15 1.06 0.00 0.00 176.91 179.48 1mm4 h THR 8 N 0.15 1.28 -0.25 2.22 2.02 -1.43 -2.19 112.91 114.71 1mm4 h THR 8 Ca 0.03 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1mm4 h THR 8 Cb 0.51 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1mm4 h THR 8 CO 0.04 0.30 -0.01 0.00 0.37 0.00 0.00 175.52 176.21 1mm4 h THR 9 N -0.62 1.16 -0.43 3.16 1.03 -1.35 -2.49 112.91 113.38 1mm4 h THR 9 Ca -0.01 -0.65 -0.14 0.00 -0.01 0.00 0.00 66.41 65.61 1mm4 h THR 9 Cb 0.54 0.99 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 1mm4 h THR 9 CO 0.01 0.22 -0.28 -0.26 -0.01 0.00 0.00 175.52 175.20 1mm4 h PHE 10 N 0.37 1.08 -0.13 0.00 -1.00 -1.22 -2.64 116.94 113.40 1mm4 h PHE 10 Ca 0.08 -0.28 -0.04 0.00 2.81 0.00 0.00 57.97 60.54 1mm4 h PHE 10 Cb 0.27 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1mm4 h PHE 10 CO 0.01 1.09 -0.11 0.00 -1.61 0.00 0.00 178.31 177.69 1mm4 h ARG 11 N 0.79 0.19 -0.01 1.51 2.47 -0.95 -1.97 114.38 116.40 1mm4 h ARG 11 Ca 0.09 -0.04 -0.17 0.00 -1.26 0.00 0.00 59.98 58.61 1mm4 h ARG 11 Cb 0.85 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.12 1mm4 h ARG 11 CO 0.07 0.31 -0.75 1.49 0.56 0.00 0.00 179.97 181.65 1mm4 h GLU 12 N 0.18 0.11 0.11 0.04 4.81 -1.29 -2.58 114.58 115.97 1mm4 h GLU 12 Ca 0.04 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1mm4 h GLU 12 Cb 0.31 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1mm4 h GLU 12 CO 0.02 0.81 -0.05 -0.91 -0.73 0.00 0.00 179.01 178.15 1mm4 h ASN 13 N 0.07 -0.13 -0.65 1.04 2.35 -1.04 -1.14 115.58 116.08 1mm4 h ASN 13 Ca -0.02 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1mm4 h ASN 13 Cb 1.33 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 1mm4 h ASN 13 CO 0.11 0.40 0.43 -0.29 -1.65 0.00 0.00 177.43 176.43 1mm4 h ILE 14 N -0.71 1.16 -0.01 2.81 6.09 -1.46 -1.36 117.51 124.02 1mm4 h ILE 14 Ca -0.02 -0.30 -0.15 0.00 -1.37 0.00 0.00 64.86 63.03 1mm4 h ILE 14 Cb 0.54 0.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.02 1mm4 h ILE 14 CO 0.03 0.16 -0.71 0.00 -3.07 0.00 0.00 178.15 174.56 1mm4 h ALA 15 N 1.60 0.81 -0.26 0.18 0.00 -1.48 0.12 119.26 120.23 1mm4 h ALA 15 Ca 0.24 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1mm4 h ALA 15 Cb -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1mm4 h ALA 15 CO -0.05 0.86 -0.42 0.37 0.00 0.00 0.00 179.25 180.01 1mm4 h GLN 16 N 0.03 0.75 0.02 0.00 4.15 -0.28 0.55 115.11 120.33 1mm4 h GLN 16 Ca -0.01 -0.46 -0.24 0.00 0.77 0.00 0.00 58.65 58.71 1mm4 h GLN 16 Cb 1.25 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 1mm4 h GLN 16 CO 0.10 1.08 -1.23 1.15 -1.93 0.00 0.00 178.83 178.00 1mm4 h THR 17 N 0.50 1.45 0.01 2.39 2.02 -1.30 0.13 112.91 118.11 1mm4 h THR 17 Ca 0.02 -3.18 -0.20 0.00 0.77 0.00 0.00 66.41 63.83 1mm4 h THR 17 Cb 1.02 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 1mm4 h THR 17 CO 0.10 0.84 -0.89 -0.25 0.37 0.00 0.00 175.52 175.69 1mm4 h TRP 18 N 0.01 0.20 0.00 3.16 2.91 -0.77 -3.41 115.95 118.05 1mm4 h TRP 18 Ca -0.10 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.80 1mm4 h TRP 18 Cb 1.86 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 30.49 1mm4 h TRP 18 CO 0.01 0.95 -0.05 0.94 -1.03 0.00 0.00 178.44 179.26 1mm4 n GLN 19 N -3.60 0.03 -3.62 2.65 7.27 0.18 -5.04 117.38 115.24 1mm4 n GLN 19 Ca -0.03 0.01 -0.03 0.00 0.07 0.00 0.00 57.00 57.02 1mm4 n GLN 19 Cb 0.82 -0.47 -0.02 0.00 2.41 0.00 0.00 30.24 32.98 1mm4 n GLN 19 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1mm4 s GLN 20 N -1.10 0.16 0.88 3.69 -2.07 0.02 -5.04 119.66 116.20 1mm4 s GLN 20 Ca -0.01 -0.06 -0.12 0.00 -1.82 0.00 0.00 55.36 53.35 1mm4 s GLN 20 Cb 0.00 0.07 0.19 0.00 -1.09 0.00 0.00 33.01 32.18 1mm4 s GLN 20 CO 0.02 -0.07 0.42 -2.30 -1.32 0.00 0.00 175.29 172.04 1mm4 n PRO 21 N -0.07 -1.79 0.02 9.60 -0.02 -1.17 -4.42 135.00 137.15 1mm4 n PRO 21 Ca 0.03 -0.71 0.00 0.00 -2.02 0.00 0.00 63.50 60.80 1mm4 n PRO 21 Cb 0.57 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1mm4 n PRO 21 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1mm4 n GLU 22 N -2.06 0.00 -2.60 -0.52 2.13 -1.26 -4.99 120.64 111.34 1mm4 n GLU 22 Ca 0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.47 1mm4 n GLU 22 Cb 0.29 -0.45 -0.03 0.00 0.27 0.00 0.00 31.44 31.53 1mm4 n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1mm4 s HIS 23 N -2.00 3.50 0.18 4.31 3.76 -1.26 -4.26 115.29 119.53 1mm4 s HIS 23 Ca 0.00 1.51 0.09 0.00 -0.15 0.00 0.00 55.06 56.51 1mm4 s HIS 23 Cb 0.00 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1mm4 s HIS 23 CO 0.00 -0.55 -0.18 0.71 -0.85 0.00 0.00 174.74 173.87 1mm4 s TYR 24 N 1.42 1.88 0.02 1.40 1.51 -1.04 -3.78 117.35 118.76 1mm4 s TYR 24 Ca 0.53 -0.47 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 1mm4 s TYR 24 Cb -0.23 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1mm4 s TYR 24 CO 0.25 0.38 -0.25 -0.51 -1.11 0.00 0.00 175.55 174.32 1mm4 s ASP 25 N -2.86 2.94 -0.07 2.29 -0.00 -0.59 -2.58 116.67 115.80 1mm4 s ASP 25 Ca 0.19 -0.53 0.01 0.00 -0.00 0.00 0.00 52.55 52.22 1mm4 s ASP 25 Cb -0.05 -0.28 0.02 0.00 -0.00 0.00 0.00 42.92 42.61 1mm4 s ASP 25 CO 0.08 0.26 -0.07 -0.76 -0.00 0.00 0.00 175.17 174.67 1mm4 s LEU 26 N -0.99 1.31 -0.20 1.23 1.02 -0.81 -2.26 118.68 117.98 1mm4 s LEU 26 Ca 0.10 -0.21 -0.06 0.00 0.02 0.00 0.00 54.13 53.97 1mm4 s LEU 26 Cb -0.10 -0.65 -0.03 0.00 0.02 0.00 0.00 46.19 45.43 1mm4 s LEU 26 CO 0.01 -0.06 0.04 -0.47 0.02 0.00 0.00 176.35 175.89 1mm4 s TYR 27 N 1.14 3.13 -0.26 0.29 6.14 -0.48 -2.44 117.35 124.89 1mm4 s TYR 27 Ca -0.07 -0.20 -0.23 0.00 0.64 0.00 0.00 57.07 57.22 1mm4 s TYR 27 Cb -0.14 -2.11 0.07 0.00 0.42 0.00 0.00 41.96 40.20 1mm4 s TYR 27 CO -0.01 -0.08 0.68 -1.50 0.64 0.00 0.00 175.55 175.28 1mm4 s ILE 28 N 0.82 -0.00 0.59 3.14 2.07 -0.32 -1.58 121.20 125.92 1mm4 s ILE 28 Ca 0.02 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.08 1mm4 s ILE 28 Cb -0.14 -0.95 -0.07 0.00 0.13 0.00 0.00 42.46 41.44 1mm4 s ILE 28 CO 0.02 0.00 0.77 -2.65 -1.91 0.00 0.00 174.94 171.17 1mm4 n PRO 29 N 2.90 0.72 -0.06 3.50 -0.02 -1.26 -1.32 135.00 139.46 1mm4 n PRO 29 Ca -0.15 0.28 -0.14 0.00 -2.02 0.00 0.00 63.50 61.48 1mm4 n PRO 29 Cb 0.56 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.70 1.35 -2.80 3.55 0.00 -1.26 -4.45 120.51 115.21 1mm4 n ALA 30 Ca 0.13 -0.97 -0.36 0.00 0.00 0.00 0.00 53.44 52.24 1mm4 n ALA 30 Cb 0.47 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 1mm4 n ALA 30 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mm4 s ILE 31 N -2.54 5.35 0.31 0.00 -4.36 -1.26 -4.91 121.20 113.78 1mm4 s ILE 31 Ca -0.17 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 1mm4 s ILE 31 Cb 0.07 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 40.40 1mm4 s ILE 31 CO 0.76 0.52 0.00 0.41 0.24 0.00 0.00 174.94 176.87 1mm4 n THR 32 N 2.86 0.00 -4.07 8.37 -1.04 -1.26 -5.11 114.28 114.03 1mm4 n THR 32 Ca -0.18 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.57 1mm4 n THR 32 Cb 0.53 -0.14 -0.17 0.00 -1.82 0.00 0.00 70.33 68.73 1mm4 n THR 32 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1mm4 s TRP 33 N -1.74 1.54 -0.17 -1.42 -0.00 -1.26 -5.11 118.94 110.78 1mm4 s TRP 33 Ca 0.00 -0.74 -0.02 0.00 -0.00 0.00 0.00 56.10 55.34 1mm4 s TRP 33 Cb 0.00 -1.23 0.05 0.00 -0.00 0.00 0.00 33.47 32.29 1mm4 s TRP 33 CO 0.00 -0.47 0.00 -1.01 -0.00 0.00 0.00 176.95 175.47 1mm4 s HIS 34 N 1.45 1.22 -0.39 5.86 3.76 -1.26 -5.07 115.29 120.87 1mm4 s HIS 34 Ca 0.01 -0.85 0.03 0.00 -0.15 0.00 0.00 55.06 54.10 1mm4 s HIS 34 Cb -0.13 -1.09 0.16 0.00 1.11 0.00 0.00 32.58 32.62 1mm4 s HIS 34 CO -0.06 -0.57 0.39 0.00 -0.85 0.00 0.00 174.74 173.65 1mm4 s ALA 35 N 1.79 -0.22 0.00 -1.40 0.00 -1.26 -4.96 121.76 115.71 1mm4 s ALA 35 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1mm4 s ALA 35 Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1mm4 s ALA 35 CO -0.07 -2.13 0.00 -2.13 0.00 0.00 0.00 175.76 171.42 1mm4 n ARG 36 N 3.92 0.00 -0.01 0.00 0.63 -1.26 -4.91 116.66 115.02 1mm4 n ARG 36 Ca 0.14 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.99 1mm4 n ARG 36 Cb 0.46 -0.35 -0.07 0.00 0.45 0.00 0.00 32.46 32.95 1mm4 n ARG 36 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1mm4 h PHE 37 N 0.00 -0.09 -3.40 -0.14 -1.00 -2.06 -3.42 116.94 106.83 1mm4 h PHE 37 Ca 0.00 -0.00 -0.71 0.00 2.81 0.00 0.00 57.97 60.07 1mm4 h PHE 37 Cb 0.39 0.03 -0.20 0.00 3.61 0.00 0.00 35.95 39.77 1mm4 h PHE 37 CO 0.00 0.40 -0.24 0.00 -1.61 0.00 0.00 178.31 176.86 1mm4 s ALA 38 N -2.91 3.47 0.49 2.45 0.00 -1.26 -5.05 121.76 118.95 1mm4 s ALA 38 Ca -0.11 -1.80 -0.24 0.00 0.00 0.00 0.00 51.96 49.82 1mm4 s ALA 38 Cb -0.01 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 1mm4 s ALA 38 CO 0.40 -1.70 1.39 0.71 0.00 0.00 0.00 175.76 176.56 1mm4 s TYR 39 N 1.99 2.39 -0.03 0.00 2.02 -1.26 -4.86 117.35 117.60 1mm4 s TYR 39 Ca 0.09 1.32 -0.29 0.00 -0.37 0.00 0.00 57.07 57.82 1mm4 s TYR 39 Cb -0.20 -3.85 -0.03 0.00 -0.40 0.00 0.00 41.96 37.48 1mm4 s TYR 39 CO 0.10 -2.87 0.94 -0.51 -1.57 0.00 0.00 175.55 171.65 1mm4 s ASP 40 N -0.74 7.29 0.05 2.29 1.01 -1.26 -5.05 116.67 120.26 1mm4 s ASP 40 Ca 0.66 1.56 0.02 0.00 0.71 0.00 0.00 52.55 55.50 1mm4 s ASP 40 Cb -0.42 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 40.94 1mm4 s ASP 40 CO 0.52 -0.27 -0.07 -0.75 0.21 0.00 0.00 175.17 174.81 1mm4 s LYS 41 N 1.15 0.57 -0.21 8.23 2.47 -1.26 -5.11 119.74 125.58 1mm4 s LYS 41 Ca 0.49 -0.88 -0.29 0.00 -1.56 0.00 0.00 55.97 53.73 1mm4 s LYS 41 Cb -0.20 -0.22 -0.04 0.00 -1.46 0.00 0.00 37.83 35.92 1mm4 s LYS 41 CO 0.25 0.02 1.78 -2.00 0.16 0.00 0.00 175.35 175.56 1mm4 s GLU 42 N -2.12 3.65 0.00 4.03 2.56 -1.26 -4.63 118.70 120.93 1mm4 s GLU 42 Ca -0.05 1.78 0.00 0.00 0.00 0.00 0.00 54.97 56.70 1mm4 s GLU 42 Cb -0.06 -4.13 0.00 0.00 2.00 0.00 0.00 34.13 31.94 1mm4 s GLU 42 CO -0.01 -1.48 0.00 1.17 -0.56 0.00 0.00 175.26 174.38 1mm4 n LYS 43 N 7.95 0.00 -2.81 4.30 3.00 -1.26 -5.13 118.16 124.21 1mm4 n LYS 43 Ca 0.21 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.33 1mm4 n LYS 43 Cb 0.45 -0.07 0.03 0.00 0.00 0.00 0.00 35.03 35.43 1mm4 n LYS 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1mm4 s THR 44 N -1.76 2.76 0.41 3.15 -4.23 -1.26 -5.13 115.64 109.58 1mm4 s THR 44 Ca 0.00 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1mm4 s THR 44 Cb 0.00 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1mm4 s THR 44 CO 0.00 0.00 0.07 -1.81 -0.54 0.00 0.00 174.62 172.34 1mm4 s ASP 45 N -4.42 3.12 0.63 3.99 1.01 -1.26 -5.09 116.67 114.65 1mm4 s ASP 45 Ca 0.57 -1.57 0.00 0.00 0.71 0.00 0.00 52.55 52.26 1mm4 s ASP 45 Cb -0.10 0.27 0.00 0.00 1.01 0.00 0.00 42.92 44.11 1mm4 s ASP 45 CO 0.36 -0.78 0.00 0.54 0.21 0.00 0.00 175.17 175.50 1mm4 n ARG 46 N -0.95 -3.49 -3.61 8.23 5.12 -1.26 -4.93 116.66 115.78 1mm4 n ARG 46 Ca -0.08 2.83 -0.25 0.00 -1.93 0.00 0.00 57.85 58.42 1mm4 n ARG 46 Cb 0.66 -3.95 -0.02 0.00 -1.16 0.00 0.00 32.46 27.98 1mm4 n ARG 46 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1mm4 s TYR 47 N -4.49 3.48 -0.10 -1.55 6.14 -1.26 -5.09 117.35 114.48 1mm4 s TYR 47 Ca 0.00 0.29 -0.11 0.00 0.64 0.00 0.00 57.07 57.89 1mm4 s TYR 47 Cb 0.00 -1.83 -0.05 0.00 0.42 0.00 0.00 41.96 40.51 1mm4 s TYR 47 CO 0.00 0.29 0.25 -0.80 0.64 0.00 0.00 175.55 175.92 1mm4 s ASN 48 N -3.64 6.51 -0.29 4.32 -0.87 -1.26 -5.08 114.94 114.63 1mm4 s ASN 48 Ca 0.38 0.60 -0.07 0.00 -1.57 0.00 0.00 52.86 52.20 1mm4 s ASN 48 Cb -0.10 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 1mm4 s ASN 48 CO 0.32 0.30 0.09 -1.61 -2.57 0.00 0.00 177.10 173.63 1mm4 s GLU 49 N -0.63 3.20 0.05 -0.60 2.02 -1.26 -5.09 118.70 116.39 1mm4 s GLU 49 Ca 0.17 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.43 1mm4 s GLU 49 Cb -0.13 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1mm4 s GLU 49 CO 0.06 -0.41 -0.07 0.50 0.02 0.00 0.00 175.26 175.36 1mm4 s ARG 50 N 1.53 2.39 0.12 1.61 3.52 -1.26 -5.13 118.95 121.73 1mm4 s ARG 50 Ca 0.03 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1mm4 s ARG 50 Cb -0.17 -2.43 0.03 0.00 -1.56 0.00 0.00 34.95 30.82 1mm4 s ARG 50 CO 0.03 0.56 0.06 -2.30 -0.81 0.00 0.00 175.30 172.84 1mm4 n PRO 51 N 1.13 -1.10 -4.27 5.12 -0.02 -1.26 -5.03 135.00 129.58 1mm4 n PRO 51 Ca -0.14 -0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 60.99 1mm4 n PRO 51 Cb 0.52 -0.17 -0.17 0.00 -0.02 0.00 0.00 33.50 33.67 1mm4 n PRO 51 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mm4 s TRP 52 N -0.86 1.22 -0.12 6.00 0.52 -1.26 -4.98 118.94 119.47 1mm4 s TRP 52 Ca 0.05 -0.47 -0.00 0.00 0.02 0.00 0.00 56.10 55.70 1mm4 s TRP 52 Cb -0.01 -0.98 0.02 0.00 -1.15 0.00 0.00 33.47 31.35 1mm4 s TRP 52 CO 0.04 -0.31 -0.09 0.20 0.02 0.00 0.00 176.95 176.81 1mm4 s GLY 53 N 1.05 0.89 -0.20 0.98 0.00 -1.26 -2.25 107.32 106.53 1mm4 s GLY 53 Ca -0.08 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 43.73 1mm4 s GLY 53 CO -0.01 0.70 1.06 -0.32 0.00 0.00 0.00 173.10 174.53 1mm4 s GLY 54 N 1.59 -0.18 0.32 0.20 0.00 -1.07 -4.25 107.32 103.93 1mm4 s GLY 54 Ca 0.04 2.32 -0.18 0.00 0.00 0.00 0.00 44.72 46.90 1mm4 s GLY 54 CO -0.08 1.26 0.72 -0.32 0.00 0.00 0.00 173.10 174.68 1mm4 s GLY 55 N -0.74 0.19 -0.04 0.20 0.00 -0.61 -0.47 107.32 105.84 1mm4 s GLY 55 Ca 0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 44.72 43.98 1mm4 s GLY 55 CO -0.02 -0.25 0.40 -0.11 0.00 0.00 0.00 173.10 173.12 1mm4 s PHE 56 N -3.32 -0.31 0.17 1.90 -0.71 -1.07 -1.38 117.98 113.27 1mm4 s PHE 56 Ca 0.14 0.54 -0.06 0.00 -1.04 0.00 0.00 56.93 56.51 1mm4 s PHE 56 Cb -0.05 0.17 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 1mm4 s PHE 56 CO 0.09 -0.42 0.33 0.41 -1.34 0.00 0.00 175.22 174.29 1mm4 n GLY 57 N 1.36 1.67 3.34 1.99 0.00 -0.96 -1.78 105.19 110.81 1mm4 n GLY 57 Ca -0.20 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 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 2.41 0.17 0.99 1.43 0.09 -1.54 118.68 122.24 1mm4 s LEU 58 Ca 0.07 -1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 51.96 1mm4 s LEU 58 Cb -0.02 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 1mm4 s LEU 58 CO 0.06 -0.36 0.28 -0.94 0.23 0.00 0.00 176.35 175.62 1mm4 s SER 59 N -3.31 0.05 -0.02 2.29 1.04 -1.25 -1.74 113.70 110.76 1mm4 s SER 59 Ca 0.25 -0.92 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 1mm4 s SER 59 Cb 0.03 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1mm4 s SER 59 CO 0.07 -0.91 0.18 -0.13 0.98 0.00 0.00 173.24 173.43 1mm4 s ARG 60 N -3.99 0.43 0.07 4.02 0.52 0.45 -4.65 118.95 115.81 1mm4 s ARG 60 Ca 0.19 -0.18 -0.22 0.00 -0.52 0.00 0.00 55.73 55.00 1mm4 s ARG 60 Cb 0.03 0.19 -0.06 0.00 0.52 0.00 0.00 34.95 35.63 1mm4 s ARG 60 CO 0.02 -0.10 0.67 -0.46 0.02 0.00 0.00 175.30 175.45 1mm4 s TRP 61 N -0.95 3.79 -0.18 -0.53 -0.11 -1.26 -2.61 118.94 117.09 1mm4 s TRP 61 Ca -0.10 1.40 -0.07 0.00 1.22 0.00 0.00 56.10 58.54 1mm4 s TRP 61 Cb -0.06 -2.66 -0.04 0.00 -1.50 0.00 0.00 33.47 29.21 1mm4 s TRP 61 CO 0.02 0.45 0.05 -0.51 -4.62 0.00 0.00 176.95 172.34 1mm4 s ASP 62 N -0.69 5.53 0.62 5.86 -0.00 0.55 -4.97 116.67 123.57 1mm4 s ASP 62 Ca 0.33 0.05 0.28 0.00 -0.00 0.00 0.00 52.55 53.21 1mm4 s ASP 62 Cb -0.20 -1.95 1.46 0.00 -0.00 0.00 0.00 42.92 42.23 1mm4 s ASP 62 CO 0.21 0.16 1.85 -0.08 -0.00 0.00 0.00 175.17 177.32 1mm4 h GLU 63 N 6.79 0.00 -0.91 8.23 4.81 -1.97 0.32 114.58 131.85 1mm4 h GLU 63 Ca -0.36 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.69 1mm4 h GLU 63 Cb 1.17 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.45 1mm4 h GLU 63 CO 0.69 0.00 0.22 1.63 -0.73 0.00 0.00 179.01 180.82 1mm4 n LYS 64 N -3.36 2.26 -3.23 1.92 5.02 -1.26 -4.87 118.16 114.63 1mm4 n LYS 64 Ca 0.05 -1.67 -0.15 0.00 -2.02 0.00 0.00 58.31 54.52 1mm4 n LYS 64 Cb 0.61 -1.75 0.08 0.00 -0.02 0.00 0.00 35.03 33.94 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mm4 n GLY 65 N -0.11 -0.38 3.22 0.72 0.00 0.11 -5.03 105.19 103.72 1mm4 n GLY 65 Ca 0.26 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.06 1.74 -0.37 1.61 -0.87 -1.09 -4.86 114.94 107.05 1mm4 s ASN 66 Ca 0.07 -0.90 0.02 0.00 -1.57 0.00 0.00 52.86 50.48 1mm4 s ASN 66 Cb -0.01 -0.02 0.11 0.00 -0.02 0.00 0.00 41.25 41.31 1mm4 s ASN 66 CO 0.65 -0.26 0.13 0.86 -2.57 0.00 0.00 177.10 175.91 1mm4 s TRP 67 N -2.73 2.58 -0.06 2.20 -0.11 -0.88 -0.33 118.94 119.60 1mm4 s TRP 67 Ca 0.11 -2.43 -0.01 0.00 1.22 0.00 0.00 56.10 54.98 1mm4 s TRP 67 Cb -0.01 -2.25 -0.03 0.00 -1.50 0.00 0.00 33.47 29.67 1mm4 s TRP 67 CO 0.01 -0.87 0.02 -1.01 -4.62 0.00 0.00 176.95 170.48 1mm4 s HIS 68 N 0.93 3.18 0.00 5.86 3.76 -1.07 -1.17 115.29 126.78 1mm4 s HIS 68 Ca 0.13 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 1mm4 s HIS 68 Cb -0.20 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1mm4 s HIS 68 CO -0.12 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 1mm4 n GLY 69 N 1.86 0.79 3.40 -2.22 0.00 -1.07 -0.41 105.19 107.53 1mm4 n GLY 69 Ca -0.17 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 1mm4 n GLY 69 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mm4 s LEU 70 N 0.00 2.47 -0.13 0.99 2.34 -0.71 -2.59 118.68 121.05 1mm4 s LEU 70 Ca 0.00 -0.90 -0.17 0.00 0.06 0.00 0.00 54.13 53.12 1mm4 s LEU 70 Cb 0.00 -1.02 0.04 0.00 -0.56 0.00 0.00 46.19 44.65 1mm4 s LEU 70 CO 0.00 0.04 0.44 -0.72 -1.06 0.00 0.00 176.35 175.05 1mm4 s TYR 71 N -2.01 -0.45 -0.20 3.48 -0.85 0.43 -0.73 117.35 117.03 1mm4 s TYR 71 Ca 0.21 1.04 0.01 0.00 -0.52 0.00 0.00 57.07 57.81 1mm4 s TYR 71 Cb -0.06 0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.49 1mm4 s TYR 71 CO 0.10 -0.29 -0.12 0.00 -1.52 0.00 0.00 175.55 173.72 1mm4 s ALA 72 N -0.14 2.06 0.53 9.51 0.00 -0.73 -1.52 121.76 131.46 1mm4 s ALA 72 Ca -0.03 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.77 1mm4 s ALA 72 Cb -0.03 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.85 1mm4 s ALA 72 CO 0.02 -0.76 0.44 0.00 0.00 0.00 0.00 175.76 175.45 1mm4 s MET 73 N 1.37 2.28 0.00 0.00 0.23 -0.60 -2.59 119.30 119.99 1mm4 s MET 73 Ca -0.01 -1.94 0.01 0.00 -1.03 0.00 0.00 55.69 52.72 1mm4 s MET 73 Cb -0.16 -2.17 -0.00 0.00 -1.53 0.00 0.00 34.83 30.97 1mm4 s MET 73 CO -0.09 -0.60 -0.03 0.00 -2.03 0.00 0.00 175.02 172.28 1mm4 s ALA 74 N -2.73 0.23 0.10 3.16 0.00 0.38 -0.47 121.76 122.42 1mm4 s ALA 74 Ca 0.38 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.26 1mm4 s ALA 74 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1mm4 s ALA 74 CO 0.23 0.04 -0.19 -0.06 0.00 0.00 0.00 175.76 175.78 1mm4 s PHE 75 N -0.16 1.67 -0.05 0.00 0.40 -1.07 -2.59 117.98 116.17 1mm4 s PHE 75 Ca -0.00 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1mm4 s PHE 75 Cb -0.02 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 1mm4 s PHE 75 CO -0.00 0.18 -0.11 0.21 0.70 0.00 0.00 175.22 176.19 1mm4 s LYS 76 N -1.89 2.59 0.70 0.44 2.20 -0.95 -2.46 119.74 120.37 1mm4 s LYS 76 Ca 0.05 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1mm4 s LYS 76 Cb -0.10 -2.46 0.10 0.00 -1.51 0.00 0.00 37.83 33.86 1mm4 s LYS 76 CO 0.04 0.64 0.98 0.34 -0.36 0.00 0.00 175.35 176.98 1mm4 s ASP 77 N -0.81 4.50 0.13 1.43 -1.08 -1.24 -4.48 116.67 115.13 1mm4 s ASP 77 Ca 0.12 -0.14 0.07 0.00 -0.52 0.00 0.00 52.55 52.08 1mm4 s ASP 77 Cb -0.11 -0.36 -0.18 0.00 -1.46 0.00 0.00 42.92 40.82 1mm4 s ASP 77 CO 0.01 -1.75 1.30 0.28 0.52 0.00 0.00 175.17 175.53 1mm4 h SER 78 N -0.50 0.01 -0.90 -0.34 0.02 -2.00 -3.24 113.55 106.60 1mm4 h SER 78 Ca -0.39 -0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.08 1mm4 h SER 78 Cb 1.28 -0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.53 1mm4 h SER 78 CO 0.45 0.99 0.59 0.79 -1.14 0.00 0.00 176.83 178.51 1mm4 n TRP 79 N -3.38 2.78 -2.72 3.45 8.01 -1.26 -4.95 117.44 119.37 1mm4 n TRP 79 Ca -0.00 -1.71 -0.00 0.00 -1.31 0.00 0.00 57.50 54.47 1mm4 n TRP 79 Cb 0.92 -0.88 -0.00 0.00 -2.01 0.00 0.00 31.31 29.34 1mm4 n TRP 79 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1mm4 n ASN 80 N -0.98 -7.58 -2.85 -0.99 2.85 -1.22 -5.04 115.26 99.44 1mm4 n ASN 80 Ca 0.54 1.43 -0.09 0.00 -0.11 0.00 0.00 54.58 56.35 1mm4 n ASN 80 Cb 1.57 -5.30 0.00 0.00 1.24 0.00 0.00 39.78 37.29 1mm4 n ASN 80 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1mm4 n LYS 81 N 0.78 0.57 -2.07 1.20 5.02 -1.26 -4.93 118.16 117.47 1mm4 n LYS 81 Ca -0.03 -2.14 -0.43 0.00 -2.02 0.00 0.00 58.31 53.69 1mm4 n LYS 81 Cb 0.05 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1mm4 n LYS 81 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1mm4 s TRP 82 N 0.63 2.07 -0.04 2.13 -0.00 -1.26 -3.59 118.94 118.88 1mm4 s TRP 82 Ca 0.31 0.43 0.02 0.00 -0.00 0.00 0.00 56.10 56.87 1mm4 s TRP 82 Cb 0.07 -3.93 0.01 0.00 -0.00 0.00 0.00 33.47 29.62 1mm4 s TRP 82 CO -0.12 -3.26 -0.09 -1.21 -0.00 0.00 0.00 176.95 172.26 1mm4 s GLU 83 N 4.42 1.12 0.74 5.86 2.02 -1.03 -5.03 118.70 126.80 1mm4 s GLU 83 Ca 0.72 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 55.28 1mm4 s GLU 83 Cb -0.28 -1.02 0.04 0.00 0.10 0.00 0.00 34.13 32.97 1mm4 s GLU 83 CO 0.29 0.08 1.09 -1.25 0.02 0.00 0.00 175.26 175.48 1mm4 s PRO 84 N 0.35 2.54 -0.07 0.39 0.04 -1.26 -2.59 135.00 134.40 1mm4 s PRO 84 Ca -0.06 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 1mm4 s PRO 84 Cb -0.11 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.50 1mm4 s PRO 84 CO 0.01 -1.30 0.11 0.42 0.04 0.00 0.00 177.00 176.27 1mm4 s ILE 85 N -3.19 -0.18 -0.22 0.56 1.09 0.38 -4.38 121.20 115.26 1mm4 s ILE 85 Ca 0.59 0.36 -0.12 0.00 -1.10 0.00 0.00 60.65 60.38 1mm4 s ILE 85 Cb -0.13 -0.24 -0.05 0.00 -1.06 0.00 0.00 42.46 40.98 1mm4 s ILE 85 CO 0.54 0.14 0.22 0.00 -0.10 0.00 0.00 174.94 175.73 1mm4 s ALA 86 N 2.22 3.61 -0.02 9.38 0.00 -0.84 -1.56 121.76 134.55 1mm4 s ALA 86 Ca 0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1mm4 s ALA 86 Cb -0.12 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1mm4 s ALA 86 CO -0.05 -0.17 0.06 0.20 0.00 0.00 0.00 175.76 175.80 1mm4 s GLY 87 N 0.96 -0.01 -0.06 0.00 0.00 -0.58 -0.50 107.32 107.12 1mm4 s GLY 87 Ca 0.11 0.08 -0.23 0.00 0.00 0.00 0.00 44.72 44.67 1mm4 s GLY 87 CO 0.05 0.04 0.52 -2.52 0.00 0.00 0.00 173.10 171.19 1mm4 s TYR 88 N -0.22 -0.48 0.00 1.90 1.13 -0.80 -0.43 117.35 118.46 1mm4 s TYR 88 Ca -0.03 0.88 0.00 0.00 -1.41 0.00 0.00 57.07 56.51 1mm4 s TYR 88 Cb -0.02 0.26 0.00 0.00 -1.10 0.00 0.00 41.96 41.10 1mm4 s TYR 88 CO 0.00 -0.48 0.00 0.41 -2.51 0.00 0.00 175.55 172.97 1mm4 n GLY 89 N 1.36 1.09 3.01 5.49 0.00 -1.07 -1.57 105.19 113.49 1mm4 n GLY 89 Ca -0.19 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.08 0.42 0.02 1.61 1.48 -0.84 -2.59 118.94 116.97 1mm4 s TRP 90 Ca 0.00 -0.51 0.01 0.00 -1.06 0.00 0.00 56.10 54.54 1mm4 s TRP 90 Cb 0.00 -0.27 -0.01 0.00 -1.16 0.00 0.00 33.47 32.02 1mm4 s TRP 90 CO 0.00 -0.14 -0.04 -1.83 -4.06 0.00 0.00 176.95 170.88 1mm4 s GLU 91 N -1.48 0.31 -0.37 3.25 -1.05 -0.32 -1.29 118.70 117.75 1mm4 s GLU 91 Ca -0.13 -0.45 0.01 0.00 -0.15 0.00 0.00 54.97 54.25 1mm4 s GLU 91 Cb -0.10 -0.08 0.10 0.00 -0.44 0.00 0.00 34.13 33.61 1mm4 s GLU 91 CO -0.00 0.01 0.11 -1.12 0.95 0.00 0.00 175.26 175.20 1mm4 s SER 92 N -0.98 4.97 0.12 0.83 0.01 0.19 -2.07 113.70 116.77 1mm4 s SER 92 Ca -0.09 -2.09 -0.14 0.00 1.31 0.00 0.00 55.95 54.95 1mm4 s SER 92 Cb -0.07 -1.71 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 1mm4 s SER 92 CO -0.00 -0.44 0.52 0.28 0.41 0.00 0.00 173.24 174.01 1mm4 s THR 93 N 1.01 4.89 0.01 1.44 -1.32 -1.26 -2.40 115.64 118.00 1mm4 s THR 93 Ca 0.09 0.81 0.04 0.00 -1.21 0.00 0.00 61.69 61.42 1mm4 s THR 93 Cb -0.21 -3.74 -0.01 0.00 -1.51 0.00 0.00 72.50 67.03 1mm4 s THR 93 CO -0.06 0.29 -0.12 0.26 -2.21 0.00 0.00 174.62 172.78 1mm4 s TRP 94 N -1.41 1.05 0.29 9.09 0.52 0.42 -4.90 118.94 123.99 1mm4 s TRP 94 Ca 0.36 -0.27 -0.28 0.00 0.02 0.00 0.00 56.10 55.93 1mm4 s TRP 94 Cb -0.15 -0.65 -0.10 0.00 -1.15 0.00 0.00 33.47 31.42 1mm4 s TRP 94 CO 0.19 -0.00 0.95 1.03 0.02 0.00 0.00 176.95 179.13 1mm4 s ARG 95 N -0.69 4.69 0.00 4.98 3.00 -1.26 -2.42 118.95 127.24 1mm4 s ARG 95 Ca 0.02 1.40 0.11 0.00 0.00 0.00 0.00 55.73 57.26 1mm4 s ARG 95 Cb -0.06 -2.99 0.51 0.00 0.00 0.00 0.00 34.95 32.41 1mm4 s ARG 95 CO 0.00 0.37 1.35 -0.35 0.00 0.00 0.00 175.30 176.67 1mm4 n PRO 96 N 0.93 1.23 -1.15 3.54 -0.04 -1.26 -5.01 135.00 133.24 1mm4 n PRO 96 Ca 0.00 -0.36 0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1mm4 n PRO 96 Cb 0.49 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.31 -0.96 -2.23 1.53 -0.00 -1.26 -4.84 117.00 108.93 1mm4 n LEU 97 Ca 0.09 2.00 -0.19 0.00 -0.00 0.00 0.00 56.01 57.91 1mm4 n LEU 97 Cb 0.11 -2.33 -0.00 0.00 -0.00 0.00 0.00 43.42 41.20 1mm4 n LEU 97 CO 0.06 -1.36 -0.19 0.00 -0.00 0.00 0.00 177.39 175.90 1mm4 n ALA 98 N -3.40 -0.61 0.19 1.96 0.00 -1.26 -4.69 120.51 112.70 1mm4 n ALA 98 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1mm4 n ALA 98 Cb 0.49 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 -1.64 -2.96 -3.26 0.00 8.00 -1.26 -5.04 116.55 110.38 1mm4 n ASP 99 Ca -0.20 0.72 -0.23 0.00 0.71 0.00 0.00 54.79 55.79 1mm4 n ASP 99 Cb 0.66 2.84 0.05 0.00 -0.02 0.00 0.00 41.12 44.65 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 -3.33 -6.19 0.02 -1.24 4.71 -1.26 -4.78 120.64 108.57 1mm4 n GLU 100 Ca 0.00 0.88 0.00 0.00 -0.01 0.00 0.00 57.16 58.03 1mm4 n GLU 100 Cb 0.00 -5.83 0.00 0.00 -1.01 0.00 0.00 31.44 24.60 1mm4 n GLU 100 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1mm4 n ASN 101 N -2.73 -0.14 -4.77 1.62 4.05 -1.26 -5.12 115.26 106.91 1mm4 n ASN 101 Ca -0.06 0.06 -0.34 0.00 0.45 0.00 0.00 54.58 54.69 1mm4 n ASN 101 Cb 0.60 0.29 0.03 0.00 1.23 0.00 0.00 39.78 41.93 1mm4 n ASN 101 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1mm4 s PHE 102 N -2.00 2.58 -0.06 1.20 0.08 -1.26 -4.41 117.98 114.11 1mm4 s PHE 102 Ca 0.00 1.55 0.01 0.00 0.12 0.00 0.00 56.93 58.61 1mm4 s PHE 102 Cb 0.00 -3.25 0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1mm4 s PHE 102 CO 0.00 -1.75 -0.08 -3.38 -0.10 0.00 0.00 175.22 169.91 1mm4 s HIS 103 N -2.08 1.10 -0.14 0.36 -3.43 -1.07 -4.56 115.29 105.47 1mm4 s HIS 103 Ca 0.70 -0.39 -0.09 0.00 -0.80 0.00 0.00 55.06 54.48 1mm4 s HIS 103 Cb -0.23 -0.89 0.05 0.00 -1.43 0.00 0.00 32.58 30.08 1mm4 s HIS 103 CO 0.36 -0.27 0.35 -0.48 -2.00 0.00 0.00 174.74 172.71 1mm4 s LEU 104 N 0.97 0.19 0.00 5.38 2.34 -1.02 -1.56 118.68 124.98 1mm4 s LEU 104 Ca -0.10 0.75 0.00 0.00 0.06 0.00 0.00 54.13 54.85 1mm4 s LEU 104 Cb -0.15 1.15 0.00 0.00 -0.56 0.00 0.00 46.19 46.63 1mm4 s LEU 104 CO 0.00 -0.17 0.00 0.61 -1.06 0.00 0.00 176.35 175.73 1mm4 n GLY 105 N 4.00 1.39 3.35 -3.48 0.00 -0.50 -0.44 105.19 109.51 1mm4 n GLY 105 Ca -0.22 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 1mm4 n GLY 105 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mm4 s LEU 106 N 0.00 1.74 0.00 0.99 2.34 -1.01 -1.93 118.68 120.81 1mm4 s LEU 106 Ca 0.00 -1.42 0.00 0.00 0.06 0.00 0.00 54.13 52.77 1mm4 s LEU 106 Cb 0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 46.19 45.60 1mm4 s LEU 106 CO 0.00 -0.74 0.00 0.61 -1.06 0.00 0.00 176.35 175.16 1mm4 n GLY 107 N -0.54 0.76 3.00 -3.48 0.00 -0.36 -0.64 105.19 103.93 1mm4 n GLY 107 Ca -0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.04 0.53 0.04 1.61 0.08 -0.41 -2.58 117.98 115.20 1mm4 s PHE 108 Ca 0.00 -0.29 0.04 0.00 0.12 0.00 0.00 56.93 56.80 1mm4 s PHE 108 Cb 0.00 -0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 42.10 1mm4 s PHE 108 CO 0.00 -0.05 -0.12 -0.08 -0.10 0.00 0.00 175.22 174.87 1mm4 s THR 109 N -0.74 0.96 -0.20 0.64 -1.32 -0.99 -1.98 115.64 112.01 1mm4 s THR 109 Ca -0.04 -1.02 -0.03 0.00 -1.21 0.00 0.00 61.69 59.38 1mm4 s THR 109 Cb -0.06 -0.90 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 1mm4 s THR 109 CO 0.00 -0.11 -0.06 0.00 -2.21 0.00 0.00 174.62 172.25 1mm4 s ALA 110 N -0.98 2.80 -0.24 11.08 0.00 -0.61 -2.12 121.76 131.68 1mm4 s ALA 110 Ca -0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 1mm4 s ALA 110 Cb -0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 1mm4 s ALA 110 CO 0.01 -0.25 0.04 0.20 0.00 0.00 0.00 175.76 175.76 1mm4 s GLY 111 N 1.18 1.72 -0.21 0.00 0.00 0.44 -1.90 107.32 108.55 1mm4 s GLY 111 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1mm4 s GLY 111 CO -0.01 0.51 -0.14 0.14 0.00 0.00 0.00 173.10 173.60 1mm4 s VAL 112 N 1.56 2.37 -0.22 1.40 1.01 0.34 -0.42 120.40 126.44 1mm4 s VAL 112 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 1mm4 s VAL 112 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1mm4 s VAL 112 CO 0.01 0.38 0.04 -0.89 0.00 0.00 0.00 175.10 174.64 1mm4 s THR 113 N 1.29 4.14 0.26 3.92 2.01 -1.07 -1.99 115.64 124.20 1mm4 s THR 113 Ca 0.02 -0.24 0.11 0.00 0.31 0.00 0.00 61.69 61.89 1mm4 s THR 113 Cb -0.15 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1mm4 s THR 113 CO -0.09 0.39 -0.13 0.00 -0.69 0.00 0.00 174.62 174.09 1mm4 s ALA 114 N 1.29 2.87 -0.16 7.40 0.00 -1.26 -0.44 121.76 131.46 1mm4 s ALA 114 Ca 0.04 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.27 1mm4 s ALA 114 Cb -0.15 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1mm4 s ALA 114 CO 0.02 0.31 -0.18 1.03 0.00 0.00 0.00 175.76 176.94 1mm4 s ARG 115 N -3.41 2.75 0.12 0.00 0.52 -1.26 -4.73 118.95 112.95 1mm4 s ARG 115 Ca 0.29 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.85 1mm4 s ARG 115 Cb -0.06 -2.37 -0.17 0.00 0.52 0.00 0.00 34.95 32.88 1mm4 s ARG 115 CO 0.16 -0.17 1.20 0.22 0.02 0.00 0.00 175.30 176.74 1mm4 h ASP 116 N 7.80 0.00 -0.82 0.23 -0.00 -1.96 -3.04 116.42 118.62 1mm4 h ASP 116 Ca -0.40 0.00 0.05 0.00 -0.00 0.00 0.00 57.03 56.68 1mm4 h ASP 116 Cb 1.15 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.43 1mm4 h ASP 116 CO 0.58 0.90 0.51 0.78 -0.00 0.00 0.00 179.24 182.02 1mm4 h ASN 117 N 0.00 0.82 -0.18 2.28 2.35 -1.98 -3.42 115.58 115.45 1mm4 h ASN 117 Ca -0.05 0.01 0.17 0.00 -0.55 0.00 0.00 56.30 55.87 1mm4 h ASN 117 Cb 1.73 -0.17 -0.18 0.00 0.05 0.00 0.00 38.32 39.76 1mm4 h ASN 117 CO 0.11 0.55 -0.06 0.86 -1.65 0.00 0.00 177.43 177.24 1mm4 s TRP 118 N -6.08 -0.32 -0.30 1.19 -0.00 -1.25 -5.16 118.94 107.02 1mm4 s TRP 118 Ca -0.13 0.10 -0.17 0.00 -0.00 0.00 0.00 56.10 55.90 1mm4 s TRP 118 Cb 0.17 0.06 0.19 0.00 -0.00 0.00 0.00 33.47 33.89 1mm4 s TRP 118 CO 0.79 -0.21 1.20 1.21 -0.00 0.00 0.00 176.95 179.94 1mm4 s ASN 119 N 2.31 -0.18 -0.11 5.86 3.84 -1.15 -4.90 114.94 120.61 1mm4 s ASN 119 Ca 0.19 0.27 -0.03 0.00 0.21 0.00 0.00 52.86 53.51 1mm4 s ASN 119 Cb 0.02 1.13 -0.01 0.00 -0.55 0.00 0.00 41.25 41.84 1mm4 s ASN 119 CO -0.18 -0.04 -0.05 0.22 -2.79 0.00 0.00 177.10 174.26 1mm4 h TYR 120 N 6.07 0.00 -2.98 0.43 3.20 -2.00 -3.43 116.97 118.26 1mm4 h TYR 120 Ca -0.22 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 61.01 1mm4 h TYR 120 Cb 1.15 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.31 1mm4 h TYR 120 CO 0.19 0.00 -0.51 0.42 -1.64 0.00 0.00 178.16 176.62 1mm4 s ILE 121 N -1.72 5.26 0.00 1.81 -1.09 -1.26 -5.02 121.20 119.18 1mm4 s ILE 121 Ca -0.04 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1mm4 s ILE 121 Cb 0.01 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1mm4 s ILE 121 CO 0.06 0.54 0.00 -0.81 -1.23 0.00 0.00 174.94 173.51 1mm4 n PRO 122 N 2.65 -0.26 -3.85 2.79 -0.04 -1.26 -4.89 135.00 130.14 1mm4 n PRO 122 Ca -0.18 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 1mm4 n PRO 122 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 1mm4 n PRO 122 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mm4 s LEU 123 N 0.00 3.91 0.48 1.53 1.43 0.42 -4.93 118.68 121.51 1mm4 s LEU 123 Ca 0.00 -3.18 -0.21 0.00 -1.03 0.00 0.00 54.13 49.71 1mm4 s LEU 123 Cb 0.00 -1.42 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 1mm4 s LEU 123 CO 0.00 -0.19 1.06 -2.16 0.23 0.00 0.00 176.35 175.29 1mm4 s PRO 124 N -0.47 3.80 0.13 1.29 0.04 -1.26 -2.60 135.00 135.93 1mm4 s PRO 124 Ca 0.20 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1mm4 s PRO 124 Cb -0.17 -2.19 0.04 0.00 0.04 0.00 0.00 34.50 32.22 1mm4 s PRO 124 CO -0.06 -0.45 0.41 0.14 0.04 0.00 0.00 177.00 177.08 1mm4 s VAL 125 N -1.86 0.06 -0.04 -0.36 -7.23 0.44 -4.94 120.40 106.47 1mm4 s VAL 125 Ca 0.66 -0.57 0.03 0.00 -1.81 0.00 0.00 61.98 60.29 1mm4 s VAL 125 Cb -0.19 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.57 1mm4 s VAL 125 CO 0.23 -0.30 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.86 1mm4 s LEU 126 N -2.81 1.70 -0.03 1.32 1.02 -1.26 -0.42 118.68 118.20 1mm4 s LEU 126 Ca 0.03 -0.25 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 1mm4 s LEU 126 Cb 0.02 -0.71 0.02 0.00 0.02 0.00 0.00 46.19 45.54 1mm4 s LEU 126 CO -0.12 0.05 0.26 -1.48 0.02 0.00 0.00 176.35 175.09 1mm4 s LEU 127 N 0.42 1.03 0.69 1.79 0.05 -0.90 -5.02 118.68 116.74 1mm4 s LEU 127 Ca -0.08 0.14 -0.12 0.00 0.05 0.00 0.00 54.13 54.11 1mm4 s LEU 127 Cb -0.12 1.06 0.01 0.00 -2.05 0.00 0.00 46.19 45.09 1mm4 s LEU 127 CO 0.02 -0.34 1.08 -2.16 -0.55 0.00 0.00 176.35 174.39 1mm4 s PRO 128 N -0.97 2.77 0.04 1.48 0.04 -1.26 -2.34 135.00 134.75 1mm4 s PRO 128 Ca -0.10 1.15 -0.27 0.00 0.04 0.00 0.00 61.00 61.81 1mm4 s PRO 128 Cb -0.05 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1mm4 s PRO 128 CO 0.03 -1.24 0.84 -0.48 0.04 0.00 0.00 177.00 176.19 1mm4 s LEU 129 N -5.33 -0.38 0.03 -3.56 2.34 -1.07 -2.32 118.68 108.38 1mm4 s LEU 129 Ca 0.62 -0.04 0.07 0.00 0.06 0.00 0.00 54.13 54.84 1mm4 s LEU 129 Cb -0.17 2.14 -0.02 0.00 -0.56 0.00 0.00 46.19 47.58 1mm4 s LEU 129 CO 0.49 -0.71 -0.20 0.00 -1.06 0.00 0.00 176.35 174.87 1mm4 s ALA 130 N -3.25 1.68 -0.20 1.48 0.00 0.42 -1.23 121.76 120.66 1mm4 s ALA 130 Ca 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1mm4 s ALA 130 Cb -0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 1mm4 s ALA 130 CO -0.09 0.38 -0.08 -1.12 0.00 0.00 0.00 175.76 174.85 1mm4 s SER 131 N -0.97 4.02 -0.04 0.00 0.01 -0.82 -1.66 113.70 114.25 1mm4 s SER 131 Ca 0.07 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.87 1mm4 s SER 131 Cb -0.08 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.51 1mm4 s SER 131 CO 0.01 -0.00 0.08 0.68 0.41 0.00 0.00 173.24 174.42 1mm4 s VAL 132 N 1.35 -0.05 0.30 3.43 -7.23 -0.74 -1.41 120.40 116.05 1mm4 s VAL 132 Ca 0.04 0.19 -0.19 0.00 -1.81 0.00 0.00 61.98 60.21 1mm4 s VAL 132 Cb -0.14 -0.15 0.05 0.00 0.56 0.00 0.00 36.38 36.69 1mm4 s VAL 132 CO -0.05 0.08 0.82 -0.83 -0.31 0.00 0.00 175.10 174.81 1mm4 s GLY 133 N 1.05 0.13 -0.13 2.32 0.00 -0.60 -0.47 107.32 109.61 1mm4 s GLY 133 Ca -0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 1mm4 s GLY 133 CO -0.04 0.17 0.02 -0.19 0.00 0.00 0.00 173.10 173.06 1mm4 s TYR 134 N -2.88 0.79 0.00 1.90 2.02 0.45 -2.59 117.35 117.05 1mm4 s TYR 134 Ca 0.15 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1mm4 s TYR 134 Cb -0.05 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 1mm4 s TYR 134 CO 0.08 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.01 1mm4 n GLY 135 N 5.11 3.98 0.19 0.71 0.00 -1.26 -2.10 105.19 111.82 1mm4 n GLY 135 Ca -0.08 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 0.57 -6.65 1.61 0.13 -1.97 -3.45 132.00 122.24 1mm4 h PRO 136 Ca 0.00 -0.50 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 1mm4 h PRO 136 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1mm4 h PRO 136 CO 0.00 1.13 0.48 0.14 -0.23 0.00 0.00 178.00 179.52 1mm4 s VAL 137 N -3.58 3.88 0.02 1.56 -7.23 -0.89 -3.87 120.40 110.29 1mm4 s VAL 137 Ca -0.08 1.60 0.01 0.00 -1.81 0.00 0.00 61.98 61.71 1mm4 s VAL 137 Cb 0.09 -4.02 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 1mm4 s VAL 137 CO 0.87 0.27 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.99 1mm4 s THR 138 N -0.16 0.30 0.00 5.32 2.01 -0.87 -0.41 115.64 121.83 1mm4 s THR 138 Ca 0.50 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1mm4 s THR 138 Cb -0.29 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1mm4 s THR 138 CO 0.35 -0.34 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.45 1mm4 s PHE 139 N -1.15 1.12 -0.13 4.92 0.40 0.38 -1.92 117.98 121.60 1mm4 s PHE 139 Ca -0.10 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1mm4 s PHE 139 Cb -0.08 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.76 1mm4 s PHE 139 CO -0.00 -0.01 -0.14 -1.14 0.70 0.00 0.00 175.22 174.63 1mm4 s GLN 140 N -0.53 2.23 -0.16 0.44 0.74 -0.74 -1.79 119.66 119.84 1mm4 s GLN 140 Ca 0.04 -0.54 -0.01 0.00 0.05 0.00 0.00 55.36 54.90 1mm4 s GLN 140 Cb -0.06 -2.00 -0.01 0.00 1.10 0.00 0.00 33.01 32.05 1mm4 s GLN 140 CO -0.00 -0.18 -0.12 1.41 -0.55 0.00 0.00 175.29 175.85 1mm4 s MET 141 N 1.32 3.31 0.03 1.67 1.75 -0.66 -1.24 119.30 125.48 1mm4 s MET 141 Ca 0.01 -0.70 0.06 0.00 -1.25 0.00 0.00 55.69 53.82 1mm4 s MET 141 Cb -0.14 -2.72 -0.03 0.00 2.84 0.00 0.00 34.83 34.78 1mm4 s MET 141 CO -0.07 0.02 -0.16 0.95 -0.65 0.00 0.00 175.02 175.10 1mm4 s THR 142 N 0.84 2.91 -0.29 10.11 -4.23 -0.77 -0.44 115.64 123.77 1mm4 s THR 142 Ca -0.04 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1mm4 s THR 142 Cb -0.15 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1mm4 s THR 142 CO 0.00 0.35 0.03 -0.47 -0.54 0.00 0.00 174.62 173.99 1mm4 s TYR 143 N -0.93 3.16 -0.33 3.99 5.04 -0.98 -2.53 117.35 124.77 1mm4 s TYR 143 Ca 0.15 -1.38 0.02 0.00 -2.44 0.00 0.00 57.07 53.41 1mm4 s TYR 143 Cb -0.11 -2.18 0.10 0.00 0.35 0.00 0.00 41.96 40.13 1mm4 s TYR 143 CO 0.05 -0.69 0.07 0.96 -1.34 0.00 0.00 175.55 174.61 1mm4 s ILE 144 N 1.39 1.60 0.26 3.14 -4.36 -1.26 -4.35 121.20 117.63 1mm4 s ILE 144 Ca -0.00 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.19 1mm4 s ILE 144 Cb -0.18 -2.20 -0.09 0.00 1.25 0.00 0.00 42.46 41.24 1mm4 s ILE 144 CO -0.00 -0.64 1.23 -2.16 0.24 0.00 0.00 174.94 173.61 1mm4 s PRO 145 N 1.24 4.47 0.00 0.37 0.04 -1.26 -4.83 135.00 135.02 1mm4 s PRO 145 Ca 0.10 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1mm4 s PRO 145 Cb -0.18 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1mm4 s PRO 145 CO -0.16 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1mm4 n GLY 146 N 1.51 -1.17 3.97 0.56 0.00 -1.26 -5.16 105.19 103.64 1mm4 n GLY 146 Ca 0.02 0.61 -0.25 0.00 0.00 0.00 0.00 46.02 46.40 1mm4 n GLY 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mm4 s THR 147 N 0.42 2.13 0.21 2.61 -4.23 -1.26 -5.10 115.64 110.41 1mm4 s THR 147 Ca 0.00 -0.44 0.05 0.00 -1.18 0.00 0.00 61.69 60.12 1mm4 s THR 147 Cb 0.00 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1mm4 s THR 147 CO 0.00 0.00 0.25 -0.31 -0.54 0.00 0.00 174.62 174.02 1mm4 s TYR 148 N -3.31 3.29 0.27 3.99 2.02 -1.26 -4.86 117.35 117.49 1mm4 s TYR 148 Ca 0.67 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 1mm4 s TYR 148 Cb -0.05 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1mm4 s TYR 148 CO 0.46 0.50 0.00 -1.71 -1.57 0.00 0.00 175.55 173.23 1mm4 n ASN 149 N -0.94 -2.45 -2.14 2.29 2.85 -1.26 -5.00 115.26 108.61 1mm4 n ASN 149 Ca -0.08 0.57 0.00 0.00 -0.11 0.00 0.00 54.58 54.96 1mm4 n ASN 149 Cb 0.56 2.46 0.04 0.00 1.24 0.00 0.00 39.78 44.08 1mm4 n ASN 149 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1mm4 n ASN 150 N -3.04 0.64 0.00 1.20 5.15 -1.26 -4.96 115.26 112.99 1mm4 n ASN 150 Ca 0.00 -2.04 0.00 0.00 -0.60 0.00 0.00 54.58 51.94 1mm4 n ASN 150 Cb 0.00 -0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 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 -0.29 3.22 3.62 8.20 0.00 -1.26 -4.96 105.19 113.73 1mm4 n GLY 151 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.45 -0.17 -0.25 1.61 4.22 -1.26 -5.13 114.94 113.52 1mm4 s ASN 152 Ca 0.00 0.20 0.02 0.00 -2.14 0.00 0.00 52.86 50.94 1mm4 s ASN 152 Cb 0.00 0.16 0.06 0.00 1.28 0.00 0.00 41.25 42.75 1mm4 s ASN 152 CO 0.00 -0.14 -0.10 0.68 -2.04 0.00 0.00 177.10 175.50 1mm4 s VAL 153 N -0.93 2.01 -0.13 3.54 -7.23 -1.26 -4.89 120.40 111.51 1mm4 s VAL 153 Ca 0.05 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1mm4 s VAL 153 Cb -0.01 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1mm4 s VAL 153 CO -0.05 -0.04 0.00 -0.72 -0.31 0.00 0.00 175.10 173.99 1mm4 s TYR 154 N 1.17 3.14 -0.29 2.82 -0.85 -1.26 -4.19 117.35 117.89 1mm4 s TYR 154 Ca -0.08 0.01 -0.07 0.00 -0.52 0.00 0.00 57.07 56.41 1mm4 s TYR 154 Cb -0.20 -1.91 -0.00 0.00 0.38 0.00 0.00 41.96 40.24 1mm4 s TYR 154 CO -0.05 0.24 0.08 -0.06 -1.52 0.00 0.00 175.55 174.24 1mm4 s PHE 155 N -0.22 3.13 -0.00 -3.49 0.40 -1.05 -5.00 117.98 111.75 1mm4 s PHE 155 Ca 0.05 -0.81 -0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1mm4 s PHE 155 Cb -0.12 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1mm4 s PHE 155 CO 0.02 -0.52 0.14 0.00 0.70 0.00 0.00 175.22 175.56 1mm4 s ALA 156 N 1.54 3.80 0.10 5.36 0.00 -1.26 -1.85 121.76 129.45 1mm4 s ALA 156 Ca 0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1mm4 s ALA 156 Cb -0.17 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1mm4 s ALA 156 CO 0.03 0.73 0.07 -1.58 0.00 0.00 0.00 175.76 175.01 1mm4 s TRP 157 N -1.28 0.57 0.01 0.00 0.51 -0.37 -4.65 118.94 113.73 1mm4 s TRP 157 Ca 0.26 -1.02 0.02 0.00 -2.12 0.00 0.00 56.10 53.24 1mm4 s TRP 157 Cb -0.12 -0.33 -0.04 0.00 -0.81 0.00 0.00 33.47 32.17 1mm4 s TRP 157 CO 0.17 -0.49 -0.02 1.41 -0.51 0.00 0.00 176.95 177.51 1mm4 s MET 158 N -3.96 2.70 -0.01 4.98 1.75 -0.43 -1.80 119.30 122.53 1mm4 s MET 158 Ca 0.14 -0.66 -0.18 0.00 -1.25 0.00 0.00 55.69 53.73 1mm4 s MET 158 Cb 0.07 -2.61 0.03 0.00 2.84 0.00 0.00 34.83 35.16 1mm4 s MET 158 CO -0.05 0.61 0.39 -0.98 -0.65 0.00 0.00 175.02 174.34 1mm4 s ARG 159 N -1.61 0.79 0.07 4.11 1.70 -0.81 -1.17 118.95 122.03 1mm4 s ARG 159 Ca 0.20 -0.16 0.08 0.00 -0.47 0.00 0.00 55.73 55.38 1mm4 s ARG 159 Cb -0.11 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 1mm4 s ARG 159 CO 0.10 -0.23 -0.22 -0.06 -1.08 0.00 0.00 175.30 173.81 1mm4 s PHE 160 N -1.56 1.87 -0.21 5.89 0.40 -1.02 -2.05 117.98 121.31 1mm4 s PHE 160 Ca -0.11 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.76 1mm4 s PHE 160 Cb -0.03 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.39 1mm4 s PHE 160 CO 0.04 0.15 0.03 -1.14 0.70 0.00 0.00 175.22 175.00 1mm4 s GLN 161 N -1.51 3.71 0.05 0.44 2.00 -1.25 -1.92 119.66 121.18 1mm4 s GLN 161 Ca 0.08 -0.47 -0.09 0.00 -2.00 0.00 0.00 55.36 52.88 1mm4 s GLN 161 Cb -0.09 -3.16 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 1mm4 s GLN 161 CO 0.03 0.03 0.35 0.12 -0.50 0.00 0.00 175.29 175.32 1mm4 s PHE 162 N 0.98 3.58 -0.25 1.67 5.36 -1.07 -4.95 117.98 123.31 1mm4 s PHE 162 Ca 0.03 0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 56.67 1mm4 s PHE 162 Cb -0.14 -2.09 0.14 0.00 -0.34 0.00 0.00 43.02 40.58 1mm4 s PHE 162 CO 0.02 0.56 0.44 -0.51 -1.46 0.00 0.00 175.22 174.27 1mm4 s LEU 163 N -1.84 -0.82 -0.45 6.12 1.43 -1.26 -2.51 118.68 119.35 1mm4 s LEU 163 Ca 0.31 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.79 1mm4 s LEU 163 Cb -0.14 1.43 0.04 0.00 0.03 0.00 0.00 46.19 47.55 1mm4 s LEU 163 CO 0.17 -0.28 0.40 -1.61 0.23 0.00 0.00 176.35 175.26 1mm4 s GLU 164 N 2.64 3.01 0.66 1.70 0.41 -1.26 -5.07 118.70 120.80 1mm4 s GLU 164 Ca 0.12 -1.08 0.05 0.00 -0.41 0.00 0.00 54.97 53.65 1mm4 s GLU 164 Cb -0.15 -4.05 0.12 0.00 -1.78 0.00 0.00 34.13 28.27 1mm4 s GLU 164 CO -0.17 -0.92 0.91 -1.58 -0.49 0.00 0.00 175.26 173.01 1mm4 s HIS 165 N 1.86 1.33 -0.07 1.61 2.46 -1.26 -5.03 115.29 116.18 1mm4 s HIS 165 Ca 0.07 -0.55 0.03 0.00 0.47 0.00 0.00 55.06 55.08 1mm4 s HIS 165 Cb -0.21 -2.59 0.01 0.00 -0.13 0.00 0.00 32.58 29.66 1mm4 s HIS 165 CO 0.10 -1.52 -0.17 -1.58 -2.47 0.00 0.00 174.74 169.10 1mm4 s HIS 166 N -2.94 1.85 -0.19 3.88 2.46 -1.26 -5.11 115.29 113.98 1mm4 s HIS 166 Ca 0.65 -0.69 -0.25 0.00 0.47 0.00 0.00 55.06 55.24 1mm4 s HIS 166 Cb -0.05 -1.29 -0.01 0.00 -0.13 0.00 0.00 32.58 31.10 1mm4 s HIS 166 CO 0.42 -0.30 0.81 -1.01 -2.47 0.00 0.00 174.74 172.19 1mm4 s HIS 167 N 0.46 3.38 -0.03 3.88 3.76 -1.26 -4.93 115.29 120.55 1mm4 s HIS 167 Ca -0.14 1.19 -0.06 0.00 -0.15 0.00 0.00 55.06 55.89 1mm4 s HIS 167 Cb -0.16 -3.00 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 1mm4 s HIS 167 CO 0.05 -0.28 -0.12 1.58 -0.85 0.00 0.00 174.74 175.12 1mm4 n HIS 168 N 5.44 0.00 0.00 1.40 -0.00 -1.26 -5.02 115.22 115.78 1mm4 n HIS 168 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1mm4 n HIS 168 Cb 0.48 -0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1mm4 n HIS 168 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1mm4 n HIS 169 N -3.42 0.00 -1.58 1.57 8.25 -1.26 -5.38 115.22 113.40 1mm4 n HIS 169 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1mm4 n HIS 169 Cb 0.17 0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1mm4 n HIS 169 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70