#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmx s PHE 13 N 0.00 0.88 0.07 3.17 5.99 -1.26 -4.93 117.98 121.90 3hmx s PHE 13 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 56.93 56.43 3hmx s PHE 13 Cb 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 43.02 42.14 3hmx s PHE 13 CO 0.00 -0.18 1.66 -1.35 -0.00 0.00 0.00 175.22 175.34 3hmx h PRO 14 N 6.99 -0.04 -0.18 10.12 0.11 -1.98 -3.28 132.00 143.73 3hmx h PRO 14 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 3hmx h PRO 14 Cb 1.16 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3hmx h PRO 14 CO 0.48 0.05 0.04 0.00 -0.21 0.00 0.00 178.00 178.36 3hmx h LEU 16 N 0.10 -0.35 -0.57 0.00 3.38 -1.81 0.54 115.31 116.60 3hmx h LEU 16 Ca 0.06 0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.40 3hmx h LEU 16 Cb 0.28 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 3hmx h LEU 16 CO 0.00 -0.35 0.15 -0.74 0.09 0.00 0.00 178.44 177.60 3hmx h HIS 17 N 0.02 0.26 0.21 1.13 2.76 -1.44 0.37 115.15 118.45 3hmx h HIS 17 Ca 0.62 0.03 -0.31 0.00 -2.20 0.00 0.00 60.37 58.52 3hmx h HIS 17 Cb 1.34 -0.03 0.04 0.00 1.55 0.00 0.00 27.41 30.31 3hmx h HIS 17 CO -0.42 0.02 -1.34 0.45 -1.30 0.00 0.00 177.93 175.34 3hmx h HIS 18 N 0.30 0.95 -0.52 5.26 3.86 -0.47 -2.28 115.15 122.25 3hmx h HIS 18 Ca 0.29 -0.67 0.09 0.00 -1.16 0.00 0.00 60.37 58.92 3hmx h HIS 18 Cb 0.40 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.75 3hmx h HIS 18 CO -0.21 1.51 0.13 1.03 0.86 0.00 0.00 177.93 181.25 3hmx h SER 19 N 0.12 0.05 -0.54 2.45 0.87 0.16 0.15 113.55 116.82 3hmx h SER 19 Ca -0.23 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 3hmx h SER 19 Cb 2.04 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 64.10 3hmx h SER 19 CO 0.25 0.05 -0.09 1.56 -0.53 0.00 0.00 176.83 178.08 3hmx h GLN 20 N 0.28 1.02 -0.28 2.24 4.20 -0.32 -1.29 115.11 120.96 3hmx h GLN 20 Ca 0.26 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3hmx h GLN 20 Cb 0.35 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3hmx h GLN 20 CO -0.32 1.06 0.05 -0.91 -0.67 0.00 0.00 178.83 178.03 3hmx h ASN 21 N 0.89 0.37 0.25 1.46 2.35 -0.80 -1.51 115.58 118.59 3hmx h ASN 21 Ca 0.14 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3hmx h ASN 21 Cb 0.65 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3hmx h ASN 21 CO 0.05 0.40 -0.12 0.25 -1.65 0.00 0.00 177.43 176.36 3hmx h LEU 22 N 0.40 -0.28 -0.88 1.61 5.85 -0.39 -1.85 115.31 119.78 3hmx h LEU 22 Ca 0.10 -0.16 0.23 0.00 0.84 0.00 0.00 57.88 58.88 3hmx h LEU 22 Cb 0.19 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.16 3hmx h LEU 22 CO -0.00 0.22 0.29 0.25 -0.34 0.00 0.00 178.44 178.86 3hmx h LEU 23 N -1.01 0.10 -0.44 2.25 7.12 -1.20 0.54 115.31 122.67 3hmx h LEU 23 Ca -0.03 0.18 -0.07 0.00 0.13 0.00 0.00 57.88 58.09 3hmx h LEU 23 Cb 0.43 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.77 3hmx h LEU 23 CO 0.06 -0.11 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.15 3hmx h ARG 24 N 0.26 0.79 -0.42 1.25 2.43 -1.29 -0.88 114.38 116.52 3hmx h ARG 24 Ca 0.56 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3hmx h ARG 24 Cb 1.11 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3hmx h ARG 24 CO -0.62 0.86 -0.07 0.00 -1.51 0.00 0.00 179.97 178.63 3hmx h ALA 25 N 0.90 0.57 -0.37 2.80 0.00 -0.08 -0.73 119.26 122.36 3hmx h ALA 25 Ca 0.13 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3hmx h ALA 25 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hmx h ALA 25 CO 0.02 0.42 -0.31 0.28 0.00 0.00 0.00 179.25 179.67 3hmx h VAL 26 N 0.61 1.28 -0.84 0.00 2.07 -1.15 -0.65 116.25 117.57 3hmx h VAL 26 Ca 0.11 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.21 3hmx h VAL 26 Cb 0.59 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3hmx h VAL 26 CO 0.04 0.49 0.55 0.28 0.02 0.00 0.00 177.57 178.95 3hmx h SER 27 N 0.66 0.86 1.32 0.57 0.02 -0.91 0.43 113.55 116.50 3hmx h SER 27 Ca 0.07 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3hmx h SER 27 Cb 0.89 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3hmx h SER 27 CO 0.08 0.57 -0.69 0.78 -1.14 0.00 0.00 176.83 176.42 3hmx h ASN 28 N 0.98 0.00 0.18 3.07 -0.26 -0.98 -2.67 115.58 115.90 3hmx h ASN 28 Ca 0.35 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.84 3hmx h ASN 28 Cb 0.14 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.43 3hmx h ASN 28 CO -0.12 0.62 -1.14 -0.03 -1.06 0.00 0.00 177.43 175.70 3hmx h MET 29 N 0.00 0.38 -0.53 0.81 4.05 -0.59 -2.82 114.93 116.23 3hmx h MET 29 Ca -0.02 -0.65 0.10 0.00 -0.28 0.00 0.00 59.70 58.85 3hmx h MET 29 Cb 1.49 0.24 -0.08 0.00 -0.80 0.00 0.00 31.60 32.45 3hmx h MET 29 CO 0.08 1.31 0.04 1.25 0.23 0.00 0.00 176.91 179.82 3hmx h LEU 30 N -0.17 -0.14 -1.47 3.39 5.85 -0.24 -1.46 115.31 121.07 3hmx h LEU 30 Ca -0.21 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3hmx h LEU 30 Cb 1.85 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 3hmx h LEU 30 CO 0.19 -0.04 0.25 1.56 -0.34 0.00 0.00 178.44 180.05 3hmx h GLN 31 N 0.16 0.61 0.20 1.25 1.08 -1.52 -2.37 115.11 114.52 3hmx h GLN 31 Ca 0.27 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3hmx h GLN 31 Cb 0.40 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3hmx h GLN 31 CO -0.41 0.45 -0.10 0.87 -0.95 0.00 0.00 178.83 178.69 3hmx h LYS 32 N 0.62 -0.26 0.14 1.46 1.57 -1.03 -2.83 116.57 116.23 3hmx h LYS 32 Ca 0.16 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3hmx h LYS 32 Cb 0.01 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3hmx h LYS 32 CO -0.03 -0.03 -0.29 0.00 -0.57 0.00 0.00 179.45 178.53 3hmx h ALA 33 N 0.29 -0.86 0.00 3.86 0.00 -0.98 -0.83 119.26 120.74 3hmx h ALA 33 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hmx h ALA 33 Cb 0.35 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hmx h ALA 33 CO 0.05 -0.92 0.00 2.89 0.00 0.00 0.00 179.25 181.27 3hmx n ARG 34 N -4.11 0.61 0.00 0.00 1.85 -0.92 0.19 116.66 114.28 3hmx n ARG 34 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 3hmx n ARG 34 Cb 0.24 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 3hmx n ARG 34 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3hmx n GLN 35 N 0.05 5.26 0.00 2.89 6.02 -0.52 -4.72 117.38 126.37 3hmx n GLN 35 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3hmx n GLN 35 Cb 0.12 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 30.91 3hmx n GLN 35 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hmx n THR 36 N -0.76 0.00 -3.64 5.09 -2.24 -0.18 -4.92 114.28 107.62 3hmx n THR 36 Ca 0.00 -0.36 -0.39 0.00 -2.27 0.00 0.00 64.05 61.03 3hmx n THR 36 Cb 0.00 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 3hmx n THR 36 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hmx s LEU 37 N -1.10 5.54 -0.08 3.22 1.43 0.13 -4.94 118.68 122.88 3hmx s LEU 37 Ca 0.00 -2.49 -0.06 0.00 -1.03 0.00 0.00 54.13 50.55 3hmx s LEU 37 Cb 0.00 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3hmx s LEU 37 CO 0.00 -0.50 -0.11 -1.84 0.23 0.00 0.00 176.35 174.13 3hmx n GLU 38 N 4.05 0.25 -0.46 1.70 0.28 -1.26 -4.42 120.64 120.78 3hmx n GLU 38 Ca 0.03 0.35 -0.06 0.00 -0.16 0.00 0.00 57.16 57.33 3hmx n GLU 38 Cb 0.40 -1.22 -0.08 0.00 1.43 0.00 0.00 31.44 31.98 3hmx n GLU 38 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3hmx n PHE 39 N -3.54 0.00 -3.74 -1.84 0.99 -1.26 -4.67 117.46 103.40 3hmx n PHE 39 Ca -0.04 -0.70 -0.13 0.00 -0.00 0.00 0.00 57.45 56.58 3hmx n PHE 39 Cb 0.17 -0.95 -0.10 0.00 -1.00 0.00 0.00 39.48 37.60 3hmx n PHE 39 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 3hmx s TYR 40 N 2.06 -0.36 -0.59 1.38 2.02 -1.26 -5.07 117.35 115.53 3hmx s TYR 40 Ca 0.31 0.82 -0.26 0.00 -0.37 0.00 0.00 57.07 57.57 3hmx s TYR 40 Cb 0.15 0.14 -0.23 0.00 -0.40 0.00 0.00 41.96 41.61 3hmx s TYR 40 CO 0.00 -0.26 1.83 -2.30 -1.57 0.00 0.00 175.55 173.25 3hmx n PRO 41 N 2.40 0.87 -3.17 -1.71 -0.02 -1.26 -4.71 135.00 127.40 3hmx n PRO 41 Ca -0.15 -1.62 -0.27 0.00 -2.02 0.00 0.00 63.50 59.44 3hmx n PRO 41 Cb 0.57 -2.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 3hmx n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hmx s THR 43 N -3.47 -0.31 0.00 0.00 -4.23 -1.26 -4.89 115.64 101.47 3hmx s THR 43 Ca 0.44 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3hmx s THR 43 Cb 0.22 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.29 3hmx s THR 43 CO -0.08 -0.31 0.00 -1.54 -0.54 0.00 0.00 174.62 172.16 3hmx n SER 44 N 5.31 0.00 -2.50 3.99 3.41 -1.26 -5.13 113.62 117.44 3hmx n SER 44 Ca -0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.54 3hmx n SER 44 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3hmx n SER 44 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hmx n ASP 48 N 1.00 -4.71 -3.15 4.04 5.75 -1.26 -5.12 116.55 113.09 3hmx n ASP 48 Ca 0.00 1.47 0.04 0.00 -0.01 0.00 0.00 54.79 56.30 3hmx n ASP 48 Cb 0.00 -4.37 -0.01 0.00 -1.03 0.00 0.00 41.12 35.70 3hmx n ASP 48 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3hmx s HIS 49 N -0.48 -1.45 0.01 2.11 -3.43 -1.26 -5.05 115.29 105.74 3hmx s HIS 49 Ca -0.11 1.55 0.02 0.00 -0.80 0.00 0.00 55.06 55.73 3hmx s HIS 49 Cb 0.01 0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 3hmx s HIS 49 CO 0.30 -0.79 -0.08 -1.21 -2.00 0.00 0.00 174.74 170.96 3hmx s GLU 50 N 2.87 0.57 -0.18 -0.38 2.02 -1.26 -5.14 118.70 117.20 3hmx s GLU 50 Ca 0.18 -0.45 -0.00 0.00 0.02 0.00 0.00 54.97 54.72 3hmx s GLU 50 Cb -0.14 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.60 3hmx s GLU 50 CO -0.20 0.12 -0.16 0.34 0.02 0.00 0.00 175.26 175.39 3hmx s ASP 51 N -0.68 3.47 0.26 -0.19 3.68 -1.26 -4.64 116.67 117.30 3hmx s ASP 51 Ca -0.01 -0.56 0.25 0.00 2.13 0.00 0.00 52.55 54.36 3hmx s ASP 51 Cb -0.05 -1.55 0.87 0.00 -1.45 0.00 0.00 42.92 40.74 3hmx s ASP 51 CO 0.00 0.02 1.75 0.16 0.13 0.00 0.00 175.17 177.23 3hmx h ILE 52 N 5.84 0.00 -1.25 4.11 3.07 -1.99 -3.17 117.51 124.12 3hmx h ILE 52 Ca -0.42 -0.42 -0.68 0.00 1.55 0.00 0.00 64.86 64.89 3hmx h ILE 52 Cb 1.16 1.33 -0.31 0.00 -0.27 0.00 0.00 36.82 38.73 3hmx h ILE 52 CO 0.61 0.00 0.63 0.35 -1.05 0.00 0.00 178.15 178.70 3hmx n THR 53 N -2.34 3.43 0.00 0.16 -2.24 -1.26 -4.88 114.28 107.14 3hmx n THR 53 Ca 0.04 -3.54 0.00 0.00 -2.27 0.00 0.00 64.05 58.28 3hmx n THR 53 Cb 0.36 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 3hmx n THR 53 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3hmx n LYS 54 N -0.77 0.00 -0.16 -0.78 3.00 -1.20 -3.28 118.16 114.97 3hmx n LYS 54 Ca 0.57 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.91 3hmx n LYS 54 Cb 0.59 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.73 3hmx n LYS 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hmx n ASP 55 N 0.00 1.56 0.05 3.14 9.92 -1.26 -3.76 116.55 126.19 3hmx n ASP 55 Ca 0.00 -2.08 -0.20 0.00 -0.53 0.00 0.00 54.79 51.98 3hmx n ASP 55 Cb 0.00 -0.26 -0.12 0.00 -0.64 0.00 0.00 41.12 40.10 3hmx n ASP 55 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3hmx h LYS 56 N 1.32 0.53 -4.75 -1.24 1.79 -1.90 -3.45 116.57 108.87 3hmx h LYS 56 Ca 0.00 -0.65 -0.54 0.00 -2.18 0.00 0.00 60.65 57.28 3hmx h LYS 56 Cb 0.48 0.20 -0.33 0.00 -1.58 0.00 0.00 32.23 31.00 3hmx h LYS 56 CO 0.04 1.26 -0.83 0.99 -1.08 0.00 0.00 179.45 179.84 3hmx s THR 57 N -3.05 1.28 -0.17 -0.16 2.01 -1.20 -5.02 115.64 109.32 3hmx s THR 57 Ca -0.11 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 3hmx s THR 57 Cb 0.04 -1.15 0.12 0.00 0.01 0.00 0.00 72.50 71.53 3hmx s THR 57 CO 0.88 0.39 1.94 -1.54 -0.69 0.00 0.00 174.62 175.60 3hmx n SER 58 N 3.67 5.73 0.16 3.53 3.41 -1.26 -4.19 113.62 124.67 3hmx n SER 58 Ca -0.22 -2.75 0.04 0.00 -0.26 0.00 0.00 58.87 55.69 3hmx n SER 58 Cb 0.52 -1.05 0.12 0.00 -0.26 0.00 0.00 64.21 63.54 3hmx n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hmx h THR 59 N 0.94 0.78 0.17 6.66 1.03 -1.89 -3.24 112.91 117.35 3hmx h THR 59 Ca 0.16 -1.95 -0.28 0.00 -0.01 0.00 0.00 66.41 64.34 3hmx h THR 59 Cb 1.00 2.27 0.02 0.00 -1.07 0.00 0.00 68.15 70.37 3hmx h THR 59 CO 0.41 0.42 -1.29 1.62 -0.01 0.00 0.00 175.52 176.67 3hmx h VAL 60 N 0.00 1.24 0.37 0.00 3.04 -1.95 -3.33 116.25 115.62 3hmx h VAL 60 Ca -0.00 -2.54 -0.00 0.00 -1.01 0.00 0.00 66.70 63.14 3hmx h VAL 60 Cb 1.24 2.97 -0.03 0.00 -2.01 0.00 0.00 31.29 33.46 3hmx h VAL 60 CO 0.06 0.76 -0.43 -0.08 -1.01 0.00 0.00 177.57 176.87 3hmx h GLU 61 N -0.14 -0.80 -2.20 4.17 4.81 -1.88 -3.37 114.58 115.17 3hmx h GLU 61 Ca -0.25 0.05 -0.59 0.00 -0.13 0.00 0.00 59.36 58.44 3hmx h GLU 61 Cb 1.89 0.18 -0.42 0.00 0.63 0.00 0.00 28.75 31.03 3hmx h GLU 61 CO 0.17 -0.53 -0.64 0.00 -0.73 0.00 0.00 179.01 177.27 3hmx n ALA 62 N -2.75 4.07 -1.15 2.92 0.00 -1.22 -4.67 120.51 117.70 3hmx n ALA 62 Ca -0.10 -4.66 0.02 0.00 0.00 0.00 0.00 53.44 48.70 3hmx n ALA 62 Cb 0.41 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 19.03 3hmx n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hmx s LEU 64 N -0.77 4.00 0.94 0.00 1.02 -1.26 -4.84 118.68 117.76 3hmx s LEU 64 Ca 0.07 0.97 -0.15 0.00 0.02 0.00 0.00 54.13 55.04 3hmx s LEU 64 Cb 0.06 -3.80 -0.05 0.00 0.02 0.00 0.00 46.19 42.41 3hmx s LEU 64 CO 0.01 -0.25 -0.10 -2.65 0.02 0.00 0.00 176.35 173.38 3hmx n PRO 65 N -0.85 -0.12 0.22 1.29 -0.02 -1.26 -4.66 135.00 129.60 3hmx n PRO 65 Ca 0.01 -0.01 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3hmx n PRO 65 Cb 0.54 -1.47 0.64 0.00 -0.02 0.00 0.00 33.50 33.18 3hmx n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hmx h LEU 66 N -1.19 0.00 -0.59 2.45 4.07 -1.96 -2.33 115.31 115.76 3hmx h LEU 66 Ca -0.44 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.40 3hmx h LEU 66 Cb 1.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 3hmx h LEU 66 CO 0.30 0.00 -0.21 -0.08 -1.08 0.00 0.00 178.44 177.37 3hmx h GLU 67 N 0.00 0.90 0.15 1.13 4.81 -1.98 -3.29 114.58 116.30 3hmx h GLU 67 Ca 0.00 -0.37 -0.36 0.00 -0.13 0.00 0.00 59.36 58.50 3hmx h GLU 67 Cb 0.41 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3hmx h GLU 67 CO 0.00 1.02 -1.86 -0.07 -0.73 0.00 0.00 179.01 177.37 3hmx h LEU 68 N 0.78 0.50 -6.51 1.64 3.38 -1.84 -3.36 115.31 109.91 3hmx h LEU 68 Ca 0.10 -0.91 -0.65 0.00 0.09 0.00 0.00 57.88 56.52 3hmx h LEU 68 Cb 0.76 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.37 3hmx h LEU 68 CO 0.06 1.79 2.41 0.41 0.09 0.00 0.00 178.44 183.21 3hmx n THR 69 N -3.52 2.27 -0.33 0.22 -1.04 -0.90 -4.72 114.28 106.26 3hmx n THR 69 Ca -0.27 -2.03 0.28 0.00 -2.04 0.00 0.00 64.05 59.99 3hmx n THR 69 Cb 1.06 -2.38 0.60 0.00 -1.82 0.00 0.00 70.33 67.79 3hmx n THR 69 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3hmx h LYS 70 N 7.56 0.23 -2.59 -2.82 5.09 -1.73 -3.44 116.57 118.88 3hmx h LYS 70 Ca 0.44 -0.01 0.09 0.00 0.09 0.00 0.00 60.65 61.26 3hmx h LYS 70 Cb 0.69 -0.05 -0.11 0.00 0.10 0.00 0.00 32.23 32.86 3hmx h LYS 70 CO 1.88 0.15 0.38 -0.80 -2.09 0.00 0.00 179.45 178.98 3hmx s ASN 71 N -5.16 -0.34 0.00 7.07 0.02 -1.26 -5.04 114.94 110.23 3hmx s ASN 71 Ca -0.07 -0.23 -0.04 0.00 -1.02 0.00 0.00 52.86 51.50 3hmx s ASN 71 Cb 0.25 0.52 -0.17 0.00 0.02 0.00 0.00 41.25 41.87 3hmx s ASN 71 CO 0.80 -0.91 2.53 -1.84 0.02 0.00 0.00 177.10 177.70 3hmx n GLU 72 N -0.38 1.31 -0.04 -0.60 -0.00 -1.26 -4.43 120.64 115.24 3hmx n GLU 72 Ca -0.09 -0.63 -0.02 0.00 -0.00 0.00 0.00 57.16 56.42 3hmx n GLU 72 Cb 0.62 -1.79 0.23 0.00 -0.00 0.00 0.00 31.44 30.50 3hmx n GLU 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3hmx h SER 73 N 3.83 0.59 0.00 -1.84 4.64 -1.96 -3.56 113.55 115.26 3hmx h SER 73 Ca 0.12 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hmx h SER 73 Cb 1.00 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3hmx h SER 73 CO 0.30 0.68 -0.16 0.00 -0.87 0.00 0.00 176.83 176.77 3hmx n GLU 79 N -4.72 0.00 -2.65 0.00 4.07 -1.26 -5.12 120.64 110.96 3hmx n GLU 79 Ca -0.03 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.78 3hmx n GLU 79 Cb 0.10 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.47 3hmx n GLU 79 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3hmx n THR 80 N 0.00 3.13 -3.42 6.31 -2.24 -1.26 -5.02 114.28 111.79 3hmx n THR 80 Ca 0.00 -5.26 -0.44 0.00 -2.27 0.00 0.00 64.05 56.08 3hmx n THR 80 Cb 0.00 -1.35 -0.07 0.00 -2.10 0.00 0.00 70.33 66.81 3hmx n THR 80 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hmx s SER 81 N -3.10 6.03 -0.35 3.42 1.04 -1.26 -4.76 113.70 114.71 3hmx s SER 81 Ca 0.48 -1.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.30 3hmx s SER 81 Cb 0.33 -2.14 0.19 0.00 0.10 0.00 0.00 66.02 64.50 3hmx s SER 81 CO -0.18 -0.71 0.90 -0.36 0.98 0.00 0.00 173.24 173.87 3hmx s PHE 82 N 1.56 -0.88 1.21 5.02 2.99 -1.26 -5.09 117.98 121.53 3hmx s PHE 82 Ca 0.04 0.19 -0.20 0.00 0.00 0.00 0.00 56.93 56.95 3hmx s PHE 82 Cb -0.26 0.16 0.30 0.00 0.00 0.00 0.00 43.02 43.22 3hmx s PHE 82 CO 0.04 -0.58 1.05 -0.89 -0.00 0.00 0.00 175.22 174.84 3hmx n ILE 83 N 4.13 0.00 -4.68 0.64 2.08 -1.26 -4.95 119.36 115.32 3hmx n ILE 83 Ca 0.08 -0.44 -0.27 0.00 0.56 0.00 0.00 62.75 62.67 3hmx n ILE 83 Cb 0.60 -1.22 -0.17 0.00 -0.75 0.00 0.00 39.64 38.11 3hmx n ILE 83 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3hmx s THR 84 N -2.88 1.45 -0.01 1.39 2.01 -1.26 -5.02 115.64 111.31 3hmx s THR 84 Ca 0.69 -0.64 -0.33 0.00 0.31 0.00 0.00 61.69 61.71 3hmx s THR 84 Cb -0.07 -1.30 -0.12 0.00 0.01 0.00 0.00 72.50 71.02 3hmx s THR 84 CO 0.53 0.43 1.83 -3.20 -0.69 0.00 0.00 174.62 173.51 3hmx n ASN 85 N 3.88 3.51 -0.56 3.53 2.85 -1.26 -3.82 115.26 123.39 3hmx n ASN 85 Ca -0.21 0.99 0.00 0.00 -0.11 0.00 0.00 54.58 55.25 3hmx n ASN 85 Cb 0.52 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 40.12 3hmx n ASN 85 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hmx n GLY 86 N 4.21 0.20 0.00 8.20 0.00 -1.26 -5.10 105.19 111.44 3hmx n GLY 86 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3hmx n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hmx n SER 87 N -0.20 0.00 -3.66 1.61 2.88 -1.25 -4.68 113.62 108.33 3hmx n SER 87 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3hmx n SER 87 Cb 0.01 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.39 3hmx n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hmx n LEU 89 N 4.60 1.05 -2.71 0.00 4.77 -1.26 -4.65 117.00 118.80 3hmx n LEU 89 Ca -0.18 -4.88 -0.37 0.00 -0.03 0.00 0.00 56.01 50.54 3hmx n LEU 89 Cb 0.55 0.33 0.04 0.00 -2.33 0.00 0.00 43.42 42.01 3hmx n LEU 89 CO 0.01 2.08 1.52 0.00 -1.33 0.00 0.00 177.39 179.67 3hmx n ALA 90 N 1.23 6.44 -0.77 -1.18 0.00 -1.26 -4.86 120.51 120.11 3hmx n ALA 90 Ca 0.23 -3.79 -0.07 0.00 0.00 0.00 0.00 53.44 49.81 3hmx n ALA 90 Cb 0.51 -1.95 0.25 0.00 0.00 0.00 0.00 19.45 18.26 3hmx n ALA 90 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hmx n SER 91 N -0.45 4.36 -0.18 0.00 7.64 -1.26 -4.32 113.62 119.41 3hmx n SER 91 Ca 0.55 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 57.34 3hmx n SER 91 Cb 0.37 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3hmx n SER 91 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3hmx n ARG 92 N -0.19 0.18 0.00 1.43 0.00 -1.26 -2.57 116.66 114.25 3hmx n ARG 92 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 3hmx n ARG 92 Cb 1.29 -1.03 0.00 0.00 -0.00 0.00 0.00 32.46 32.72 3hmx n ARG 92 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3hmx n LYS 93 N -0.18 0.05 0.01 2.89 0.00 -1.26 -4.96 118.16 114.71 3hmx n LYS 93 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.15 3hmx n LYS 93 Cb 0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.90 3hmx n LYS 93 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3hmx h THR 94 N 0.00 0.86 0.00 3.15 1.35 -1.76 -3.20 112.91 113.32 3hmx h THR 94 Ca 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 3hmx h THR 94 Cb 0.00 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3hmx h THR 94 CO 0.00 0.74 0.00 -1.20 -0.25 0.00 0.00 175.52 174.81 3hmx n SER 95 N -3.33 0.57 -3.74 5.36 7.64 -1.23 -3.97 113.62 114.92 3hmx n SER 95 Ca -0.22 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.40 3hmx n SER 95 Cb 1.05 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 3hmx n SER 95 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3hmx n PHE 96 N -2.25 -0.23 0.30 1.43 7.35 -1.21 -4.53 117.46 118.33 3hmx n PHE 96 Ca -0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 3hmx n PHE 96 Cb 0.07 0.00 0.72 0.00 0.35 0.00 0.00 39.48 40.61 3hmx n PHE 96 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 3hmx h MET 97 N 0.00 0.00 0.00 -4.13 2.86 -1.84 -1.91 114.93 109.91 3hmx h MET 97 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hmx h MET 97 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hmx h MET 97 CO 0.00 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.64 3hmx n MET 98 N -2.72 0.50 -0.19 1.72 2.81 -1.26 -3.13 117.12 114.86 3hmx n MET 98 Ca -0.02 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 3hmx n MET 98 Cb 0.37 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.82 3hmx n MET 98 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hmx h ALA 99 N 3.05 1.94 0.00 3.04 0.00 -1.47 0.33 119.26 126.15 3hmx h ALA 99 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hmx h ALA 99 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hmx h ALA 99 CO 0.00 -0.12 0.00 1.25 0.00 0.00 0.00 179.25 180.38 3hmx h LEU 100 N 0.56 0.00 0.00 0.00 7.12 -1.84 -2.74 115.31 118.42 3hmx h LEU 100 Ca 0.37 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 58.24 3hmx h LEU 100 Cb 0.65 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.76 3hmx h LEU 100 CO -0.13 0.00 -0.76 0.00 -0.13 0.00 0.00 178.44 177.42 3hmx h LEU 102 N -1.00 0.56 -0.32 0.00 -0.00 -1.20 0.22 115.31 113.58 3hmx h LEU 102 Ca -0.20 -0.13 0.07 0.00 -0.00 0.00 0.00 57.88 57.62 3hmx h LEU 102 Cb 1.12 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 41.56 3hmx h LEU 102 CO -0.12 0.53 -0.19 -1.28 -0.00 0.00 0.00 178.44 177.37 3hmx h SER 103 N 0.56 -0.65 0.37 -0.43 0.87 -1.66 -0.79 113.55 111.81 3hmx h SER 103 Ca 0.15 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3hmx h SER 103 Cb 0.12 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3hmx h SER 103 CO -0.02 -0.23 -0.18 0.77 -0.53 0.00 0.00 176.83 176.64 3hmx h SER 104 N -0.16 -0.42 -0.74 6.23 4.64 -1.48 -2.01 113.55 119.62 3hmx h SER 104 Ca 0.17 -0.10 0.14 0.00 -0.47 0.00 0.00 61.79 61.52 3hmx h SER 104 Cb 0.41 0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 62.47 3hmx h SER 104 CO -0.42 -0.13 -0.27 0.40 -0.87 0.00 0.00 176.83 175.54 3hmx h ILE 105 N -0.71 0.17 -0.60 0.95 2.04 -0.44 0.45 117.51 119.37 3hmx h ILE 105 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3hmx h ILE 105 Cb 0.50 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3hmx h ILE 105 CO 0.08 0.00 0.30 0.22 0.00 0.00 0.00 178.15 178.76 3hmx h TYR 106 N -0.06 0.55 -0.06 1.37 3.20 -1.09 0.12 116.97 121.00 3hmx h TYR 106 Ca 0.32 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.23 3hmx h TYR 106 Cb 0.57 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3hmx h TYR 106 CO -0.66 0.25 0.04 1.49 -1.64 0.00 0.00 178.16 177.64 3hmx h GLU 107 N 0.57 0.00 0.07 1.82 4.57 0.26 -1.45 114.58 120.42 3hmx h GLU 107 Ca 0.28 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3hmx h GLU 107 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3hmx h GLU 107 CO -0.20 0.00 -0.04 -0.44 -1.18 0.00 0.00 179.01 177.16 3hmx h ASP 108 N 0.00 -0.09 -0.16 1.04 3.32 0.23 -3.05 116.42 117.71 3hmx h ASP 108 Ca 0.03 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3hmx h ASP 108 Cb 0.11 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3hmx h ASP 108 CO -0.00 0.32 0.14 -0.07 -1.72 0.00 0.00 179.24 177.91 3hmx h LEU 109 N -0.51 0.00 -0.51 1.55 -0.00 -0.19 -0.66 115.31 114.99 3hmx h LEU 109 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.70 3hmx h LEU 109 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 3hmx h LEU 109 CO 0.02 0.00 -0.71 0.50 -0.00 0.00 0.00 178.44 178.25 3hmx h LYS 110 N 0.00 0.22 0.11 1.13 3.64 -1.24 -1.89 116.57 118.55 3hmx h LYS 110 Ca 0.07 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3hmx h LYS 110 Cb 0.36 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3hmx h LYS 110 CO -0.00 0.84 -0.05 0.52 -2.27 0.00 0.00 179.45 178.49 3hmx h MET 111 N 0.15 -0.15 -0.02 1.90 2.86 -1.05 -3.04 114.93 115.58 3hmx h MET 111 Ca -0.02 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3hmx h MET 111 Cb 1.26 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 3hmx h MET 111 CO 0.11 0.29 0.04 1.88 1.06 0.00 0.00 176.91 180.29 3hmx h TYR 112 N -0.93 0.00 0.06 -0.22 0.05 -1.42 -2.19 116.97 112.32 3hmx h TYR 112 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3hmx h TYR 112 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3hmx h TYR 112 CO 0.10 0.00 -0.03 0.37 -1.05 0.00 0.00 178.16 177.55 3hmx h GLN 113 N 0.00 -0.08 -0.20 4.88 4.15 -1.34 -1.61 115.11 120.92 3hmx h GLN 113 Ca 0.01 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 3hmx h GLN 113 Cb 0.09 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3hmx h GLN 113 CO -0.00 0.34 -0.15 -0.39 -1.93 0.00 0.00 178.83 176.69 3hmx h VAL 114 N -0.51 1.21 0.65 2.39 -1.51 -1.29 -1.15 116.25 116.03 3hmx h VAL 114 Ca -0.01 -0.94 -0.03 0.00 -1.23 0.00 0.00 66.70 64.49 3hmx h VAL 114 Cb 0.45 1.23 0.01 0.00 -2.13 0.00 0.00 31.29 30.85 3hmx h VAL 114 CO 0.01 0.30 -0.31 -0.33 -1.23 0.00 0.00 177.57 176.01 3hmx h GLU 115 N 0.31 -0.84 -0.70 5.19 4.39 -1.37 0.69 114.58 122.25 3hmx h GLU 115 Ca 0.06 0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.86 3hmx h GLU 115 Cb 0.46 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 3hmx h GLU 115 CO 0.03 -0.53 0.46 0.74 -1.16 0.00 0.00 179.01 178.55 3hmx h PHE 116 N -1.17 0.79 -0.00 4.33 0.04 -1.28 0.43 116.94 120.07 3hmx h PHE 116 Ca -0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3hmx h PHE 116 Cb 0.69 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 3hmx h PHE 116 CO 0.00 0.45 0.00 -0.22 -0.60 0.00 0.00 178.31 177.95 3hmx h LYS 117 N 0.81 0.00 0.40 1.51 3.64 -1.09 0.86 116.57 122.71 3hmx h LYS 117 Ca 0.28 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3hmx h LYS 117 Cb 0.11 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3hmx h LYS 117 CO -0.08 0.02 -0.19 1.15 -2.27 0.00 0.00 179.45 178.07 3hmx h THR 118 N -0.01 0.61 -0.80 1.00 2.02 -0.18 -1.73 112.91 113.82 3hmx h THR 118 Ca 0.00 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.21 3hmx h THR 118 Cb 0.01 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 3hmx h THR 118 CO -0.00 0.01 0.47 0.24 0.37 0.00 0.00 175.52 176.61 3hmx h MET 119 N -0.57 0.79 -0.37 6.66 2.86 -0.82 -0.63 114.93 122.86 3hmx h MET 119 Ca -0.06 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3hmx h MET 119 Cb 0.43 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3hmx h MET 119 CO 0.09 0.52 0.09 -0.97 1.06 0.00 0.00 176.91 177.70 3hmx h ASN 120 N 0.82 0.49 -0.34 1.22 -0.00 -0.71 0.17 115.58 117.23 3hmx h ASN 120 Ca 0.37 -0.07 0.05 0.00 -0.00 0.00 0.00 56.30 56.66 3hmx h ASN 120 Cb 0.27 -0.13 -0.05 0.00 -0.00 0.00 0.00 38.32 38.42 3hmx h ASN 120 CO -0.21 0.50 0.05 0.00 -0.00 0.00 0.00 177.43 177.76 3hmx h ALA 121 N 1.57 0.35 0.35 1.57 0.00 -0.19 -2.39 119.26 120.53 3hmx h ALA 121 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hmx h ALA 121 Cb 0.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hmx h ALA 121 CO -0.00 -0.36 -0.17 0.87 0.00 0.00 0.00 179.25 179.59 3hmx h LYS 122 N 0.16 -0.45 -0.95 0.00 1.79 -0.72 -3.09 116.57 113.30 3hmx h LYS 122 Ca 0.16 0.03 0.28 0.00 -2.18 0.00 0.00 60.65 58.94 3hmx h LYS 122 Cb 0.20 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 3hmx h LYS 122 CO -0.23 -0.14 0.78 -0.07 -1.08 0.00 0.00 179.45 178.71 3hmx h LEU 123 N -0.82 0.00 -0.33 2.94 -0.00 -0.66 0.39 115.31 116.84 3hmx h LEU 123 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.64 3hmx h LEU 123 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 3hmx h LEU 123 CO 0.08 0.00 -0.82 -0.07 -0.00 0.00 0.00 178.44 177.63 3hmx h LEU 124 N 0.00 0.39 0.11 1.67 3.38 -1.35 -3.29 115.31 116.22 3hmx h LEU 124 Ca 0.45 -0.29 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 3hmx h LEU 124 Cb 2.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3hmx h LEU 124 CO -0.00 1.05 -1.22 0.24 0.09 0.00 0.00 178.44 178.60 3hmx h MET 125 N 0.19 0.24 -6.06 1.13 2.86 -0.21 -3.46 114.93 109.62 3hmx h MET 125 Ca -0.05 -0.41 -0.74 0.00 -2.06 0.00 0.00 59.70 56.45 3hmx h MET 125 Cb 1.42 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.23 3hmx h MET 125 CO 0.13 1.19 1.10 -3.47 1.06 0.00 0.00 176.91 176.93 3hmx n ASP 126 N -3.51 1.92 0.18 1.22 4.64 -0.67 -4.84 116.55 115.49 3hmx n ASP 126 Ca -0.07 0.83 0.03 0.00 -1.38 0.00 0.00 54.79 54.19 3hmx n ASP 126 Cb 1.01 -1.11 0.35 0.00 -1.04 0.00 0.00 41.12 40.34 3hmx n ASP 126 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3hmx h PRO 127 N 8.78 0.00 -5.68 -0.67 0.11 -1.91 -3.31 132.00 129.32 3hmx h PRO 127 Ca -0.34 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.12 3hmx h PRO 127 Cb 1.34 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.38 3hmx h PRO 127 CO 1.00 0.38 2.15 1.17 -0.21 0.00 0.00 178.00 182.49 3hmx n LYS 128 N -4.05 2.98 -1.67 1.05 3.00 -1.26 -4.91 118.16 113.31 3hmx n LYS 128 Ca -0.02 -3.13 -0.16 0.00 -0.00 0.00 0.00 58.31 55.00 3hmx n LYS 128 Cb 0.42 -3.51 -0.11 0.00 0.00 0.00 0.00 35.03 31.84 3hmx n LYS 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hmx s ARG 129 N 4.42 1.33 -0.03 1.64 0.52 -1.25 -4.69 118.95 120.89 3hmx s ARG 129 Ca 0.55 -0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 55.22 3hmx s ARG 129 Cb 0.04 -5.01 -0.01 0.00 0.52 0.00 0.00 34.95 30.49 3hmx s ARG 129 CO 0.08 -5.33 -0.04 0.37 0.02 0.00 0.00 175.30 170.40 3hmx h GLN 130 N 11.39 0.00 -5.69 3.54 4.15 -1.91 -3.48 115.11 123.11 3hmx h GLN 130 Ca 0.04 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.98 3hmx h GLN 130 Cb 0.99 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 28.46 3hmx h GLN 130 CO 1.04 0.00 -0.80 -1.50 -1.93 0.00 0.00 178.83 175.64 3hmx s ILE 131 N -1.28 1.36 0.06 2.39 1.10 -1.26 -5.05 121.20 118.51 3hmx s ILE 131 Ca -0.03 -1.37 0.09 0.00 -0.51 0.00 0.00 60.65 58.82 3hmx s ILE 131 Cb 0.00 -1.27 -0.03 0.00 0.15 0.00 0.00 42.46 41.32 3hmx s ILE 131 CO 0.05 -0.13 -0.24 -0.36 -2.11 0.00 0.00 174.94 172.15 3hmx s PHE 132 N -1.18 2.07 -0.29 3.50 0.08 -1.26 -4.91 117.98 115.98 3hmx s PHE 132 Ca 0.02 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.38 3hmx s PHE 132 Cb -0.10 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 3hmx s PHE 132 CO 0.03 0.14 1.29 -1.17 -0.10 0.00 0.00 175.22 175.41 3hmx s LEU 133 N -1.35 3.90 -0.12 -0.37 1.98 -1.26 -4.94 118.68 116.53 3hmx s LEU 133 Ca 0.10 1.24 -0.32 0.00 -2.89 0.00 0.00 54.13 52.26 3hmx s LEU 133 Cb -0.09 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 43.12 3hmx s LEU 133 CO 0.03 -1.05 2.00 -0.67 -1.89 0.00 0.00 176.35 174.76 3hmx n ASP 134 N 7.54 3.43 -0.31 3.68 4.64 -1.26 -4.82 116.55 129.44 3hmx n ASP 134 Ca 0.15 0.77 0.09 0.00 -1.38 0.00 0.00 54.79 54.42 3hmx n ASP 134 Cb 0.46 -1.42 0.31 0.00 -1.04 0.00 0.00 41.12 39.43 3hmx n ASP 134 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 3hmx h GLN 135 N 10.86 0.81 -0.95 -0.67 -0.00 -2.00 -1.65 115.11 121.51 3hmx h GLN 135 Ca -0.45 -0.05 0.18 0.00 -0.00 0.00 0.00 58.65 58.33 3hmx h GLN 135 Cb 1.27 -0.18 -0.08 0.00 0.00 0.00 0.00 27.48 28.48 3hmx h GLN 135 CO 0.96 0.54 0.60 -0.97 0.00 0.00 0.00 178.83 179.96 3hmx h ASN 136 N 0.84 0.64 0.96 -0.69 -0.00 -2.00 0.33 115.58 115.66 3hmx h ASN 136 Ca 0.47 0.06 -0.16 0.00 -0.00 0.00 0.00 56.30 56.67 3hmx h ASN 136 Cb 0.59 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.83 3hmx h ASN 136 CO -0.23 0.27 -0.76 -0.03 -0.00 0.00 0.00 177.43 176.68 3hmx h MET 137 N 0.65 0.00 -0.29 6.67 4.05 -1.64 -2.04 114.93 122.33 3hmx h MET 137 Ca 0.51 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.82 3hmx h MET 137 Cb 0.92 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 3hmx h MET 137 CO -0.26 0.76 -0.28 -0.07 0.23 0.00 0.00 176.91 177.29 3hmx h LEU 138 N 0.00 0.61 -0.17 3.39 3.38 -0.94 -3.21 115.31 118.37 3hmx h LEU 138 Ca -0.01 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 3hmx h LEU 138 Cb 1.45 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3hmx h LEU 138 CO 0.10 0.86 -0.41 0.00 0.09 0.00 0.00 178.44 179.08 3hmx h ALA 139 N 1.18 0.27 0.00 1.53 0.00 -0.94 -3.17 119.26 118.13 3hmx h ALA 139 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hmx h ALA 139 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hmx h ALA 139 CO 0.06 0.38 0.00 1.33 0.00 0.00 0.00 179.25 181.02 3hmx n VAL 140 N -4.26 0.82 0.10 0.00 0.24 -0.79 -0.13 118.33 114.32 3hmx n VAL 140 Ca -0.06 0.25 -0.02 0.00 -2.04 0.00 0.00 64.34 62.46 3hmx n VAL 140 Cb 0.54 -1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 31.70 3hmx n VAL 140 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3hmx h ILE 141 N 0.00 1.31 0.04 1.34 2.04 -1.55 -2.98 117.51 117.71 3hmx h ILE 141 Ca 0.00 -2.78 -0.13 0.00 1.00 0.00 0.00 64.86 62.95 3hmx h ILE 141 Cb 0.36 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3hmx h ILE 141 CO 0.00 0.73 -0.66 -0.78 0.00 0.00 0.00 178.15 177.44 3hmx h ASP 142 N 0.00 0.14 0.00 1.72 3.58 -1.05 -3.14 116.42 117.67 3hmx h ASP 142 Ca -0.01 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 56.59 3hmx h ASP 142 Cb 1.54 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.54 3hmx h ASP 142 CO 0.10 1.28 0.23 -0.62 -2.88 0.00 0.00 179.24 177.35 3hmx n GLU 143 N -4.37 0.10 -0.07 0.28 1.02 0.82 -1.16 120.64 117.26 3hmx n GLU 143 Ca -0.18 0.59 -0.14 0.00 -0.02 0.00 0.00 57.16 57.40 3hmx n GLU 143 Cb 0.65 -2.07 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 3hmx n GLU 143 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hmx n LEU 144 N -2.11 1.52 0.15 -4.62 7.94 -1.13 -3.80 117.00 114.96 3hmx n LEU 144 Ca -0.01 0.11 0.04 0.00 -1.11 0.00 0.00 56.01 55.04 3hmx n LEU 144 Cb 0.26 -0.28 0.05 0.00 0.53 0.00 0.00 43.42 43.98 3hmx n LEU 144 CO 0.07 0.66 0.52 0.24 -1.11 0.00 0.00 177.39 177.77 3hmx h MET 145 N 0.02 0.00 -0.01 1.96 2.86 -1.09 -2.07 114.93 116.60 3hmx h MET 145 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3hmx h MET 145 Cb 2.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.72 3hmx h MET 145 CO 0.02 0.42 -0.00 0.00 1.06 0.00 0.00 176.91 178.41 3hmx n GLN 146 N -3.20 1.51 -0.08 1.72 10.64 -0.60 -1.28 117.38 126.09 3hmx n GLN 146 Ca 0.02 -0.76 -0.12 0.00 -1.83 0.00 0.00 57.00 54.32 3hmx n GLN 146 Cb 0.70 -1.48 -0.15 0.00 -0.86 0.00 0.00 30.24 28.45 3hmx n GLN 146 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hmx n ALA 147 N -0.08 1.45 0.54 2.61 0.00 -1.10 -4.10 120.51 119.82 3hmx n ALA 147 Ca 0.20 -1.12 0.13 0.00 0.00 0.00 0.00 53.44 52.64 3hmx n ALA 147 Cb 0.30 -0.36 0.29 0.00 0.00 0.00 0.00 19.45 19.68 3hmx n ALA 147 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hmx h LEU 148 N 0.00 0.00 0.00 0.00 3.38 -1.37 -3.38 115.31 113.95 3hmx h LEU 148 Ca -0.48 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3hmx h LEU 148 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 3hmx h LEU 148 CO 0.03 0.03 0.00 0.59 0.09 0.00 0.00 178.44 179.18 3hmx n ASN 149 N -2.32 0.00 -1.70 -0.43 3.02 -0.41 -4.74 115.26 108.68 3hmx n ASN 149 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3hmx n ASN 149 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3hmx n ASN 149 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hmx n PHE 150 N 0.00 -4.09 -3.65 3.10 3.72 -1.26 -4.74 117.46 110.54 3hmx n PHE 150 Ca 0.00 2.34 -0.36 0.00 -0.05 0.00 0.00 57.45 59.38 3hmx n PHE 150 Cb 0.00 -3.38 -0.08 0.00 -0.94 0.00 0.00 39.48 35.09 3hmx n PHE 150 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3hmx s ASN 151 N -0.97 6.30 -0.12 4.37 0.01 -1.26 -5.09 114.94 118.18 3hmx s ASN 151 Ca 0.00 0.35 -0.12 0.00 -0.71 0.00 0.00 52.86 52.38 3hmx s ASN 151 Cb 0.00 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.57 3hmx s ASN 151 CO 0.00 0.15 0.33 -0.94 -1.51 0.00 0.00 177.10 175.13 3hmx s SER 152 N 0.38 -0.35 -0.15 -1.22 1.04 -1.26 -5.14 113.70 107.00 3hmx s SER 152 Ca 0.12 0.67 -0.02 0.00 0.48 0.00 0.00 55.95 57.20 3hmx s SER 152 Cb -0.12 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 3hmx s SER 152 CO 0.00 -0.12 -0.08 -1.61 0.98 0.00 0.00 173.24 172.41 3hmx s GLU 153 N 0.17 3.49 0.13 4.02 2.02 -1.26 -5.11 118.70 122.17 3hmx s GLU 153 Ca -0.00 -0.62 -0.24 0.00 0.02 0.00 0.00 54.97 54.13 3hmx s GLU 153 Cb -0.02 -2.79 0.07 0.00 0.10 0.00 0.00 34.13 31.49 3hmx s GLU 153 CO 0.00 0.16 0.63 -0.08 0.02 0.00 0.00 175.26 176.00 3hmx s THR 154 N 0.53 0.00 1.01 3.63 -1.32 -1.26 -5.18 115.64 113.05 3hmx s THR 154 Ca -0.06 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.26 3hmx s THR 154 Cb -0.15 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.04 3hmx s THR 154 CO 0.03 0.00 1.23 0.54 -2.21 0.00 0.00 174.62 174.21 3hmx s VAL 155 N -3.58 1.90 0.00 5.08 0.11 -1.26 -5.22 120.40 117.43 3hmx s VAL 155 Ca 0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 3hmx s VAL 155 Cb -0.01 -2.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 3hmx s VAL 155 CO -0.12 0.00 0.51 -2.65 -3.33 0.00 0.00 175.10 169.51 3hmx n PRO 156 N -3.99 0.00 -0.69 1.54 -0.02 -1.26 -5.06 135.00 125.52 3hmx n PRO 156 Ca 0.13 0.45 -0.23 0.00 -2.02 0.00 0.00 63.50 61.83 3hmx n PRO 156 Cb 0.60 -1.01 -0.01 0.00 -0.02 0.00 0.00 33.50 33.06 3hmx n PRO 156 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3hmx n SER 160 N -0.98 -1.04 -0.52 2.55 7.64 -1.26 -5.07 113.62 114.93 3hmx n SER 160 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 3hmx n SER 160 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 3hmx n SER 160 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hmx n LEU 161 N 1.10 0.00 -4.11 -3.43 4.77 -1.26 -5.19 117.00 108.89 3hmx n LEU 161 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 3hmx n LEU 161 Cb 0.16 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 3hmx n LEU 161 CO 0.28 0.00 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.36 3hmx s GLU 162 N -0.57 0.66 -0.02 3.23 8.01 -1.26 -5.16 118.70 123.59 3hmx s GLU 162 Ca 0.00 -1.19 0.01 0.00 0.01 0.00 0.00 54.97 53.79 3hmx s GLU 162 Cb 0.00 0.04 -0.04 0.00 -4.31 0.00 0.00 34.13 29.83 3hmx s GLU 162 CO 0.00 -0.07 0.00 -1.21 0.01 0.00 0.00 175.26 174.00 3hmx s GLU 163 N -3.61 2.83 0.37 1.61 0.41 -1.26 -5.13 118.70 113.94 3hmx s GLU 163 Ca 0.06 -0.56 0.05 0.00 -0.41 0.00 0.00 54.97 54.11 3hmx s GLU 163 Cb 0.05 -2.70 0.05 0.00 -1.78 0.00 0.00 34.13 29.76 3hmx s GLU 163 CO -0.07 0.64 0.45 -0.35 -0.49 0.00 0.00 175.26 175.45 3hmx n PRO 164 N 1.55 0.80 -1.23 0.39 -0.05 -1.26 -5.14 135.00 130.07 3hmx n PRO 164 Ca -0.15 -2.10 0.00 0.00 -0.05 0.00 0.00 63.50 61.20 3hmx n PRO 164 Cb 0.53 -0.05 0.00 0.00 -0.05 0.00 0.00 33.50 33.93 3hmx n PRO 164 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 3hmx n ASP 165 N -2.38 0.50 0.05 3.54 5.75 -1.26 -4.92 116.55 117.83 3hmx n ASP 165 Ca 0.07 -0.98 -0.13 0.00 -0.01 0.00 0.00 54.79 53.74 3hmx n ASP 165 Cb 0.40 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.40 3hmx n ASP 165 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 3hmx h PHE 166 N 0.24 -0.11 -0.26 2.11 0.05 -1.99 -0.98 116.94 116.02 3hmx h PHE 166 Ca 0.00 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 3hmx h PHE 166 Cb 0.00 0.04 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 3hmx h PHE 166 CO 0.00 0.18 0.16 -0.92 -0.18 0.00 0.00 178.31 177.55 3hmx h TYR 167 N -0.40 0.34 -0.41 -0.55 3.20 -1.99 -1.58 116.97 115.58 3hmx h TYR 167 Ca -0.01 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3hmx h TYR 167 Cb 0.34 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 3hmx h TYR 167 CO 0.02 0.25 0.04 -0.22 -1.64 0.00 0.00 178.16 176.61 3hmx h LYS 168 N 0.32 0.15 -0.95 1.82 3.64 -1.95 -2.10 116.57 117.51 3hmx h LYS 168 Ca 0.09 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hmx h LYS 168 Cb 0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3hmx h LYS 168 CO -0.02 0.10 0.58 1.15 -2.27 0.00 0.00 179.45 178.99 3hmx h THR 169 N 0.15 1.26 0.00 1.00 2.02 -0.94 -0.75 112.91 115.66 3hmx h THR 169 Ca 0.20 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3hmx h THR 169 Cb 0.27 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3hmx h THR 169 CO -0.30 0.27 -0.02 0.11 0.37 0.00 0.00 175.52 175.94 3hmx h LYS 170 N 1.30 0.00 0.02 6.66 1.57 -0.62 -1.75 116.57 123.75 3hmx h LYS 170 Ca 0.34 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3hmx h LYS 170 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3hmx h LYS 170 CO -0.06 0.02 -0.01 0.82 -0.57 0.00 0.00 179.45 179.65 3hmx h ILE 171 N 0.00 1.35 0.00 1.86 1.08 -0.73 -3.27 117.51 117.80 3hmx h ILE 171 Ca -0.00 -1.86 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 3hmx h ILE 171 Cb 0.12 2.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 3hmx h ILE 171 CO 0.00 0.43 0.00 1.17 -0.69 0.00 0.00 178.15 179.07 3hmx n LYS 172 N -4.70 0.09 0.13 2.37 4.81 -0.86 -2.41 118.16 117.59 3hmx n LYS 172 Ca -0.08 0.57 -0.06 0.00 -0.87 0.00 0.00 58.31 57.87 3hmx n LYS 172 Cb 0.35 -1.78 -0.03 0.00 0.02 0.00 0.00 35.03 33.59 3hmx n LYS 172 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3hmx h LEU 173 N 0.00 -0.34 -1.35 3.14 6.46 -1.38 -2.83 115.31 119.01 3hmx h LEU 173 Ca 0.00 0.01 0.27 0.00 -0.12 0.00 0.00 57.88 58.04 3hmx h LEU 173 Cb 0.02 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 39.95 3hmx h LEU 173 CO 0.00 0.01 0.67 0.00 -0.62 0.00 0.00 178.44 178.50 3hmx h ILE 175 N 0.39 1.22 -0.01 0.00 1.08 -1.60 -2.41 117.51 116.18 3hmx h ILE 175 Ca 0.60 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 3hmx h ILE 175 Cb 1.52 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 3hmx h ILE 175 CO -0.30 0.26 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.32 3hmx h LEU 176 N 0.55 0.05 -1.18 1.44 3.38 -0.55 -1.85 115.31 117.15 3hmx h LEU 176 Ca 0.14 -0.58 0.17 0.00 0.09 0.00 0.00 57.88 57.70 3hmx h LEU 176 Cb 0.27 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3hmx h LEU 176 CO -0.00 0.62 0.61 -0.07 0.09 0.00 0.00 178.44 179.68 3hmx h LEU 177 N -0.52 0.70 0.19 1.67 3.38 -1.15 0.83 115.31 120.41 3hmx h LEU 177 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hmx h LEU 177 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hmx h LEU 177 CO 0.01 0.30 -0.09 0.45 0.09 0.00 0.00 178.44 179.20 3hmx h HIS 178 N 0.71 -0.23 -0.49 1.13 3.86 -1.42 -2.01 115.15 116.69 3hmx h HIS 178 Ca 0.51 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.72 3hmx h HIS 178 Cb 0.85 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 3hmx h HIS 178 CO -0.00 0.16 0.33 0.00 0.86 0.00 0.00 177.93 179.27 3hmx h ALA 179 N -0.05 1.66 -0.22 2.45 0.00 -0.70 -2.74 119.26 119.66 3hmx h ALA 179 Ca -0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 3hmx h ALA 179 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hmx h ALA 179 CO 0.04 0.32 -0.66 0.35 0.00 0.00 0.00 179.25 179.30 3hmx h PHE 180 N 0.66 1.05 -0.59 0.00 -0.00 0.67 -1.43 116.94 117.30 3hmx h PHE 180 Ca 0.18 -0.42 -0.01 0.00 -0.00 0.00 0.00 57.97 57.72 3hmx h PHE 180 Cb -0.07 -0.18 -0.03 0.00 -0.00 0.00 0.00 35.95 35.67 3hmx h PHE 180 CO -0.00 1.24 0.32 -0.09 -0.00 0.00 0.00 178.31 179.79 3hmx h ARG 181 N 0.59 0.82 -0.80 1.11 2.43 -1.12 0.82 114.38 118.24 3hmx h ARG 181 Ca -0.02 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3hmx h ARG 181 Cb 1.28 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 3hmx h ARG 181 CO 0.14 0.63 0.53 0.82 -1.51 0.00 0.00 179.97 180.58 3hmx h ILE 182 N 0.80 1.19 -0.15 1.20 5.03 -1.41 0.17 117.51 124.34 3hmx h ILE 182 Ca 0.21 -0.37 -0.02 0.00 -0.12 0.00 0.00 64.86 64.56 3hmx h ILE 182 Cb 0.05 0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 33.86 3hmx h ILE 182 CO -0.03 0.20 0.02 -0.09 -0.68 0.00 0.00 178.15 177.57 3hmx h ARG 183 N 1.07 0.24 -0.90 2.37 9.65 -0.56 -2.68 114.38 123.58 3hmx h ARG 183 Ca 0.30 -0.06 0.10 0.00 -1.10 0.00 0.00 59.98 59.21 3hmx h ARG 183 Cb -0.10 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.39 3hmx h ARG 183 CO -0.07 0.42 0.58 0.00 2.80 0.00 0.00 179.97 183.70 3hmx h ALA 184 N 0.81 1.63 0.17 2.80 0.00 0.13 -0.81 119.26 123.99 3hmx h ALA 184 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hmx h ALA 184 Cb 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hmx h ALA 184 CO 0.00 0.19 -0.11 0.28 0.00 0.00 0.00 179.25 179.61 3hmx h VAL 185 N 0.90 0.75 -0.45 0.00 2.07 -0.56 0.06 116.25 119.02 3hmx h VAL 185 Ca 0.41 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.98 3hmx h VAL 185 Cb 0.40 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3hmx h VAL 185 CO -0.18 0.00 0.30 0.74 0.02 0.00 0.00 177.57 178.46 3hmx h THR 186 N -0.28 1.00 0.53 2.57 2.02 -0.97 0.73 112.91 118.50 3hmx h THR 186 Ca -0.01 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3hmx h THR 186 Cb 0.24 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3hmx h THR 186 CO 0.01 0.08 -0.25 0.40 0.37 0.00 0.00 175.52 176.12 3hmx h ILE 187 N 0.43 0.48 -0.89 3.11 2.04 -0.56 -2.55 117.51 119.57 3hmx h ILE 187 Ca 0.19 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 66.09 3hmx h ILE 187 Cb 0.22 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.73 3hmx h ILE 187 CO -0.05 0.01 0.51 -0.78 0.00 0.00 0.00 178.15 177.85 3hmx h ASP 188 N -0.75 0.72 -0.75 1.72 -0.00 0.11 -1.02 116.42 116.44 3hmx h ASP 188 Ca -0.07 0.06 0.12 0.00 -0.00 0.00 0.00 57.03 57.14 3hmx h ASP 188 Cb 0.56 -0.07 -0.09 0.00 -0.00 0.00 0.00 39.33 39.73 3hmx h ASP 188 CO 0.12 0.37 0.34 0.03 -0.00 0.00 0.00 179.24 180.10 3hmx h ARG 189 N 0.81 0.51 0.03 0.28 3.08 -0.72 0.50 114.38 118.87 3hmx h ARG 189 Ca 0.45 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.47 3hmx h ARG 189 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3hmx h ARG 189 CO -0.29 0.34 -0.02 0.28 -1.07 0.00 0.00 179.97 179.21 3hmx h VAL 190 N 0.52 1.26 -0.36 2.04 2.07 -0.81 -1.88 116.25 119.09 3hmx h VAL 190 Ca 0.40 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3hmx h VAL 190 Cb 0.53 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3hmx h VAL 190 CO -0.35 0.25 0.16 0.24 0.02 0.00 0.00 177.57 177.89 3hmx h MET 191 N -0.47 0.50 -0.12 1.57 2.86 -0.77 0.94 114.93 119.44 3hmx h MET 191 Ca -0.00 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 3hmx h MET 191 Cb 0.44 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3hmx h MET 191 CO 0.01 0.40 -0.49 0.77 1.06 0.00 0.00 176.91 178.66 3hmx h SER 192 N 0.51 0.35 0.04 1.22 0.02 0.00 -2.45 113.55 113.24 3hmx h SER 192 Ca 0.13 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3hmx h SER 192 Cb 0.07 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3hmx h SER 192 CO -0.02 0.79 -0.02 0.22 -1.14 0.00 0.00 176.83 176.66 3hmx h TYR 193 N 0.26 -0.05 -0.03 3.45 3.20 -0.21 -3.22 116.97 120.37 3hmx h TYR 193 Ca 0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3hmx h TYR 193 Cb 0.96 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 3hmx h TYR 193 CO 0.02 0.42 0.02 -0.07 -1.64 0.00 0.00 178.16 176.91 3hmx h LEU 194 N -0.54 0.03 -2.00 2.82 3.38 -0.93 -2.47 115.31 115.61 3hmx h LEU 194 Ca -0.01 -0.03 0.35 0.00 0.09 0.00 0.00 57.88 58.29 3hmx h LEU 194 Cb 0.49 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3hmx h LEU 194 CO 0.01 0.06 0.88 -1.13 0.09 0.00 0.00 178.44 178.35 3hmx h ASN 195 N 0.01 0.00 0.30 -0.43 -1.24 -1.52 0.13 115.58 112.83 3hmx h ASN 195 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3hmx h ASN 195 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 3hmx h ASN 195 CO -0.00 0.00 -1.17 0.00 -1.29 0.00 0.00 177.43 174.97 3hmx n ALA 196 N -2.78 3.53 -1.73 1.57 0.00 -0.97 -4.93 120.51 115.21 3hmx n ALA 196 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3hmx n ALA 196 Cb 1.29 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3hmx n ALA 196 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93