#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 n MET 1 N 0.00 2.56 -3.62 5.56 2.81 -1.26 -5.12 117.12 118.05 3hx2 n MET 1 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 3hx2 n MET 1 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 3hx2 n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3hx2 s SER 2 N -1.68 -0.11 0.00 7.83 0.15 -1.26 -5.17 113.70 113.46 3hx2 s SER 2 Ca 0.00 -0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.39 3hx2 s SER 2 Cb 0.00 0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 64.46 3hx2 s SER 2 CO 0.00 -0.37 0.39 -0.55 1.20 0.00 0.00 173.24 173.90 3hx2 s SER 3 N -2.73 6.76 0.44 5.45 0.15 -1.26 -4.97 113.70 117.53 3hx2 s SER 3 Ca 0.12 0.90 0.30 0.00 0.70 0.00 0.00 55.95 57.98 3hx2 s SER 3 Cb 0.02 -2.23 1.41 0.00 -1.71 0.00 0.00 66.02 63.51 3hx2 s SER 3 CO -0.04 0.31 1.91 0.06 1.20 0.00 0.00 173.24 176.68 3hx2 h GLN 4 N 4.57 0.00 0.00 5.44 3.07 -1.99 -2.67 115.11 123.53 3hx2 h GLN 4 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.23 3hx2 h GLN 4 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 3hx2 h GLN 4 CO 0.62 0.00 -1.58 0.44 0.09 0.00 0.00 178.83 178.40 3hx2 n ILE 5 N -2.67 0.00 -1.64 1.86 -5.35 -1.26 -5.01 119.36 105.29 3hx2 n ILE 5 Ca 0.00 -0.33 -0.50 0.00 -0.27 0.00 0.00 62.75 61.65 3hx2 n ILE 5 Cb 0.19 0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 38.29 3hx2 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx2 n ARG 6 N -1.95 1.62 -3.38 6.28 0.63 -1.01 -4.87 116.66 113.98 3hx2 n ARG 6 Ca -0.02 0.59 0.01 0.00 -0.92 0.00 0.00 57.85 57.51 3hx2 n ARG 6 Cb 0.38 -2.30 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 3hx2 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx2 s GLN 7 N 1.35 0.56 -0.66 -0.14 0.74 -1.26 -4.92 119.66 115.32 3hx2 s GLN 7 Ca 0.85 1.18 0.00 0.00 0.05 0.00 0.00 55.36 57.44 3hx2 s GLN 7 Cb -0.84 0.64 0.00 0.00 1.10 0.00 0.00 33.01 33.91 3hx2 s GLN 7 CO 0.46 -0.43 0.00 -1.71 -0.55 0.00 0.00 175.29 173.06 3hx2 n ASN 8 N 5.43 -4.06 -4.25 6.67 2.85 -1.26 -4.98 115.26 115.66 3hx2 n ASN 8 Ca -0.06 0.15 -0.43 0.00 -0.11 0.00 0.00 54.58 54.13 3hx2 n ASN 8 Cb 0.50 -2.11 -0.06 0.00 1.24 0.00 0.00 39.78 39.35 3hx2 n ASN 8 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3hx2 s TYR 9 N -2.13 3.50 0.48 1.20 5.04 -1.26 -4.80 117.35 119.37 3hx2 s TYR 9 Ca 0.00 -1.93 -0.24 0.00 -2.44 0.00 0.00 57.07 52.46 3hx2 s TYR 9 Cb 0.00 -3.62 -0.07 0.00 0.35 0.00 0.00 41.96 38.62 3hx2 s TYR 9 CO 0.00 -0.97 1.32 -1.54 -1.34 0.00 0.00 175.55 173.02 3hx2 s SER 10 N 2.38 5.82 0.59 4.32 1.04 -1.26 -4.89 113.70 121.70 3hx2 s SER 10 Ca 0.11 2.68 0.34 0.00 0.48 0.00 0.00 55.95 59.56 3hx2 s SER 10 Cb -0.21 -2.63 1.88 0.00 0.10 0.00 0.00 66.02 65.16 3hx2 s SER 10 CO -0.03 -1.19 2.23 0.71 0.98 0.00 0.00 173.24 175.94 3hx2 h THR 11 N 1.95 0.34 -0.14 2.02 1.35 -1.99 -1.74 112.91 114.70 3hx2 h THR 11 Ca -0.50 -0.18 -0.05 0.00 -0.55 0.00 0.00 66.41 65.12 3hx2 h THR 11 Cb 1.27 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3hx2 h THR 11 CO 0.60 0.03 -0.12 0.44 -0.25 0.00 0.00 175.52 176.22 3hx2 h ASP 12 N 0.00 0.36 -0.59 5.36 3.45 -2.00 -2.48 116.42 120.53 3hx2 h ASP 12 Ca -0.00 -0.46 -0.08 0.00 0.43 0.00 0.00 57.03 56.92 3hx2 h ASP 12 Cb 0.13 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 3hx2 h ASP 12 CO 0.00 0.75 0.07 0.58 -1.57 0.00 0.00 179.24 179.07 3hx2 h VAL 13 N -0.03 1.26 -0.53 -1.35 2.07 -1.75 -1.75 116.25 114.17 3hx2 h VAL 13 Ca 0.03 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.56 3hx2 h VAL 13 Cb 0.64 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3hx2 h VAL 13 CO 0.03 0.38 0.26 -0.08 0.02 0.00 0.00 177.57 178.18 3hx2 h GLU 14 N 0.89 0.48 -0.23 1.57 4.81 -1.33 0.11 114.58 120.88 3hx2 h GLU 14 Ca 0.17 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 3hx2 h GLU 14 Cb 0.46 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3hx2 h GLU 14 CO 0.02 0.32 -0.41 0.00 -0.73 0.00 0.00 179.01 178.20 3hx2 h ALA 15 N 1.30 0.85 -0.27 2.92 0.00 -1.29 -2.61 119.26 120.16 3hx2 h ALA 15 Ca 0.24 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3hx2 h ALA 15 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hx2 h ALA 15 CO -0.18 0.65 -0.38 0.00 0.00 0.00 0.00 179.25 179.34 3hx2 h ALA 16 N 1.09 0.83 -0.63 0.00 0.00 -0.69 -1.77 119.26 118.10 3hx2 h ALA 16 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3hx2 h ALA 16 Cb 0.91 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3hx2 h ALA 16 CO 0.08 0.64 0.08 0.28 0.00 0.00 0.00 179.25 180.33 3hx2 h VAL 17 N 0.52 1.26 -0.06 0.00 2.07 -0.70 0.30 116.25 119.64 3hx2 h VAL 17 Ca 0.05 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 3hx2 h VAL 17 Cb 0.89 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3hx2 h VAL 17 CO 0.08 0.39 -0.36 0.78 0.02 0.00 0.00 177.57 178.47 3hx2 h ASN 18 N 0.97 0.12 -0.08 0.57 2.35 -1.24 -1.29 115.58 116.98 3hx2 h ASN 18 Ca 0.19 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 3hx2 h ASN 18 Cb 0.45 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3hx2 h ASN 18 CO 0.02 0.48 -0.25 -1.28 -1.65 0.00 0.00 177.43 174.75 3hx2 h SER 19 N 0.11 0.36 0.11 5.81 0.87 -0.78 -2.73 113.55 117.29 3hx2 h SER 19 Ca 0.01 -0.61 -0.03 0.00 -1.23 0.00 0.00 61.79 59.94 3hx2 h SER 19 Cb 0.69 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3hx2 h SER 19 CO 0.05 0.91 -0.12 0.25 -0.53 0.00 0.00 176.83 177.39 3hx2 h LEU 20 N -0.16 0.02 -0.40 2.23 5.85 -0.73 -1.32 115.31 120.79 3hx2 h LEU 20 Ca -0.01 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3hx2 h LEU 20 Cb 0.87 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3hx2 h LEU 20 CO 0.05 0.14 -0.08 0.58 -0.34 0.00 0.00 178.44 178.79 3hx2 h VAL 21 N 0.02 1.27 -0.30 1.05 2.07 -1.15 -0.51 116.25 118.71 3hx2 h VAL 21 Ca 0.00 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 3hx2 h VAL 21 Cb 0.22 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3hx2 h VAL 21 CO 0.02 0.39 -0.11 -1.13 0.02 0.00 0.00 177.57 176.76 3hx2 h ASN 22 N 0.58 0.49 -0.17 0.57 -0.73 -1.05 -0.78 115.58 114.50 3hx2 h ASN 22 Ca 0.10 -0.12 -0.11 0.00 1.87 0.00 0.00 56.30 58.04 3hx2 h ASN 22 Cb 0.60 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 3hx2 h ASN 22 CO 0.04 0.64 -0.25 0.25 -0.37 0.00 0.00 177.43 177.73 3hx2 h LEU 23 N 0.47 0.64 -0.27 0.34 5.85 -0.90 -1.04 115.31 120.41 3hx2 h LEU 23 Ca 0.09 -0.23 -0.20 0.00 0.84 0.00 0.00 57.88 58.38 3hx2 h LEU 23 Cb 0.48 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hx2 h LEU 23 CO 0.03 0.87 -0.89 1.88 -0.34 0.00 0.00 178.44 180.00 3hx2 h TYR 24 N 0.55 0.24 -0.55 1.25 -1.99 -0.72 -1.52 116.97 114.22 3hx2 h TYR 24 Ca 0.08 -0.13 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 3hx2 h TYR 24 Cb 0.73 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 3hx2 h TYR 24 CO 0.03 0.96 -0.02 -0.07 -0.00 0.00 0.00 178.16 179.07 3hx2 h LEU 25 N 0.08 0.93 -0.18 3.88 3.38 -0.91 -0.87 115.31 121.63 3hx2 h LEU 25 Ca -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3hx2 h LEU 25 Cb 1.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3hx2 h LEU 25 CO 0.13 1.00 0.01 -0.61 0.09 0.00 0.00 178.44 179.07 3hx2 h GLN 26 N 0.88 0.32 -0.75 1.13 4.15 -1.11 -1.67 115.11 118.05 3hx2 h GLN 26 Ca 0.16 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3hx2 h GLN 26 Cb 0.54 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 3hx2 h GLN 26 CO 0.03 0.50 0.43 0.00 -1.93 0.00 0.00 178.83 177.86 3hx2 h ALA 27 N 0.80 1.35 -0.04 3.38 0.00 -1.12 -1.16 119.26 122.47 3hx2 h ALA 27 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3hx2 h ALA 27 Cb 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hx2 h ALA 27 CO 0.01 0.55 -0.45 1.03 0.00 0.00 0.00 179.25 180.39 3hx2 h SER 28 N 1.04 0.10 -0.14 0.00 0.87 -0.97 -2.19 113.55 112.26 3hx2 h SER 28 Ca 0.27 -0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.58 3hx2 h SER 28 Cb -0.01 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3hx2 h SER 28 CO -0.05 0.53 -0.68 0.22 -0.53 0.00 0.00 176.83 176.33 3hx2 h TYR 29 N 0.08 1.00 -0.63 2.24 3.20 -0.57 -2.53 116.97 119.75 3hx2 h TYR 29 Ca 0.00 -0.41 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 3hx2 h TYR 29 Cb 0.82 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3hx2 h TYR 29 CO 0.01 1.22 0.31 1.15 -1.64 0.00 0.00 178.16 179.21 3hx2 h THR 30 N 0.55 1.22 0.00 1.81 2.02 -0.96 -1.83 112.91 115.72 3hx2 h THR 30 Ca -0.02 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 3hx2 h THR 30 Cb 1.29 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3hx2 h THR 30 CO 0.14 0.25 -0.26 1.88 0.37 0.00 0.00 175.52 177.91 3hx2 h TYR 31 N 0.87 0.00 -0.35 3.16 0.05 -1.40 -0.79 116.97 118.51 3hx2 h TYR 31 Ca 0.22 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.84 3hx2 h TYR 31 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3hx2 h TYR 31 CO 0.00 0.26 -0.40 1.25 -1.05 0.00 0.00 178.16 178.22 3hx2 h LEU 32 N 0.00 0.91 0.54 3.88 5.85 -0.98 0.44 115.31 125.94 3hx2 h LEU 32 Ca -0.00 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3hx2 h LEU 32 Cb 0.84 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.62 3hx2 h LEU 32 CO 0.03 1.19 -0.26 -1.28 -0.34 0.00 0.00 178.44 177.78 3hx2 h SER 33 N 0.69 -0.62 -0.48 1.25 0.87 -0.89 -2.55 113.55 111.83 3hx2 h SER 33 Ca 0.05 -0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3hx2 h SER 33 Cb 0.97 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 3hx2 h SER 33 CO 0.09 -0.33 0.07 -0.07 -0.53 0.00 0.00 176.83 176.07 3hx2 h LEU 34 N -0.89 -0.04 -0.26 2.23 3.38 -1.14 -1.55 115.31 117.02 3hx2 h LEU 34 Ca -0.07 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3hx2 h LEU 34 Cb 0.62 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3hx2 h LEU 34 CO 0.12 0.01 0.03 1.23 0.09 0.00 0.00 178.44 179.92 3hx2 h GLY 35 N 0.20 0.28 2.00 0.83 0.00 -0.85 -2.42 103.07 103.11 3hx2 h GLY 35 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3hx2 h GLY 35 CO -0.33 -0.03 0.00 0.69 0.00 0.00 0.00 176.54 176.87 3hx2 n PHE 36 N -5.12 0.75 0.01 5.60 3.01 -0.97 -3.34 117.46 117.40 3hx2 n PHE 36 Ca -0.01 0.24 -0.13 0.00 1.01 0.00 0.00 57.45 58.56 3hx2 n PHE 36 Cb 0.13 -0.88 -0.09 0.00 -0.01 0.00 0.00 39.48 38.62 3hx2 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx2 h TYR 37 N 0.00 -0.03 0.00 1.38 3.20 -0.78 -2.79 116.97 117.96 3hx2 h TYR 37 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hx2 h TYR 37 Cb 0.61 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3hx2 h TYR 37 CO 0.00 0.35 0.00 1.19 -1.64 0.00 0.00 178.16 178.06 3hx2 n PHE 38 N -4.92 0.00 0.93 -3.82 3.72 -1.14 -1.64 117.46 110.59 3hx2 n PHE 38 Ca -0.08 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.42 3hx2 n PHE 38 Cb 0.21 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 3hx2 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx2 n ASP 39 N -0.86 1.49 -4.77 4.37 -0.08 -1.05 -1.67 116.55 113.98 3hx2 n ASP 39 Ca 0.08 -1.24 -0.39 0.00 -1.51 0.00 0.00 54.79 51.72 3hx2 n ASP 39 Cb 0.04 0.71 -0.00 0.00 2.34 0.00 0.00 41.12 44.21 3hx2 n ASP 39 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hx2 s ARG 40 N -2.58 3.91 0.55 -0.67 0.52 -0.65 -4.73 118.95 115.30 3hx2 s ARG 40 Ca 0.13 2.18 0.23 0.00 -0.52 0.00 0.00 55.73 57.75 3hx2 s ARG 40 Cb 0.16 -2.73 1.49 0.00 0.52 0.00 0.00 34.95 34.40 3hx2 s ARG 40 CO 0.66 -0.55 2.16 0.38 0.02 0.00 0.00 175.30 177.97 3hx2 h ASP 41 N 2.60 0.00 -0.27 0.23 2.03 -1.92 0.39 116.42 119.47 3hx2 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx2 h ASP 41 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3hx2 h ASP 41 CO 0.62 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 3hx2 n ASP 42 N -4.23 1.79 0.00 4.15 3.85 -1.26 -4.09 116.55 116.76 3hx2 n ASP 42 Ca -0.01 -2.07 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 3hx2 n ASP 42 Cb 0.17 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 3hx2 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx2 n VAL 43 N 0.31 0.00 -2.65 2.12 0.31 -0.16 -5.10 118.33 113.17 3hx2 n VAL 43 Ca 0.10 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.26 3hx2 n VAL 43 Cb 0.32 -0.51 0.01 0.00 -0.91 0.00 0.00 33.84 32.75 3hx2 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx2 n ALA 44 N -2.26 -1.75 -3.17 3.52 0.00 0.12 -4.93 120.51 112.04 3hx2 n ALA 44 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 3hx2 n ALA 44 Cb 0.18 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 3hx2 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx2 n LEU 45 N -0.75 1.39 -0.28 0.00 4.77 -0.67 -4.98 117.00 116.48 3hx2 n LEU 45 Ca -0.10 -5.05 0.22 0.00 -0.03 0.00 0.00 56.01 51.06 3hx2 n LEU 45 Cb 0.34 0.41 0.41 0.00 -2.33 0.00 0.00 43.42 42.25 3hx2 n LEU 45 CO 0.29 2.22 0.82 1.21 -1.33 0.00 0.00 177.39 180.60 3hx2 n GLU 46 N 0.58 -0.06 0.03 3.23 2.13 -1.26 -0.84 120.64 124.45 3hx2 n GLU 46 Ca 0.25 1.19 -0.12 0.00 0.66 0.00 0.00 57.16 59.14 3hx2 n GLU 46 Cb 0.56 -2.05 -0.07 0.00 0.27 0.00 0.00 31.44 30.15 3hx2 n GLU 46 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3hx2 h GLY 47 N 0.00 0.01 1.03 8.31 0.00 -1.93 0.02 103.07 110.50 3hx2 h GLY 47 Ca 0.65 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.92 3hx2 h GLY 47 CO -0.69 0.00 0.22 -2.08 0.00 0.00 0.00 176.54 173.99 3hx2 h VAL 48 N -0.04 1.25 -0.58 4.60 2.07 -1.38 -2.03 116.25 120.14 3hx2 h VAL 48 Ca 0.00 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3hx2 h VAL 48 Cb 0.05 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3hx2 h VAL 48 CO -0.00 0.33 0.31 -1.28 0.02 0.00 0.00 177.57 176.94 3hx2 h SER 49 N 0.97 0.74 0.56 0.57 0.87 -1.12 -1.81 113.55 114.33 3hx2 h SER 49 Ca 0.22 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3hx2 h SER 49 Cb 0.28 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3hx2 h SER 49 CO -0.01 0.64 -0.34 -0.74 -0.53 0.00 0.00 176.83 175.85 3hx2 h HIS 50 N 0.79 0.00 -0.18 2.24 6.17 -0.86 -2.15 115.15 121.16 3hx2 h HIS 50 Ca 0.20 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.21 3hx2 h HIS 50 Cb 0.07 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.00 3hx2 h HIS 50 CO -0.01 0.34 -0.18 0.35 0.71 0.00 0.00 177.93 179.14 3hx2 h PHE 51 N 0.00 0.54 -0.00 5.26 3.57 -0.76 -2.99 116.94 122.55 3hx2 h PHE 51 Ca -0.00 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.22 3hx2 h PHE 51 Cb 0.71 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3hx2 h PHE 51 CO 0.00 0.81 -0.57 0.74 -2.23 0.00 0.00 178.31 177.06 3hx2 h PHE 52 N 0.11 0.01 0.00 0.41 0.05 -1.18 -2.96 116.94 113.38 3hx2 h PHE 52 Ca 0.03 -0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.73 3hx2 h PHE 52 Cb 0.72 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.65 3hx2 h PHE 52 CO 0.08 0.57 -0.42 0.00 -0.18 0.00 0.00 178.31 178.37 3hx2 h ARG 53 N 0.01 0.00 -0.25 1.51 3.08 -1.42 -2.05 114.38 115.25 3hx2 h ARG 53 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3hx2 h ARG 53 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 3hx2 h ARG 53 CO 0.07 0.42 -0.31 0.93 -1.07 0.00 0.00 179.97 180.01 3hx2 h GLU 54 N 0.00 0.64 -0.15 0.04 5.08 -1.40 -2.42 114.58 116.37 3hx2 h GLU 54 Ca -0.00 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 3hx2 h GLU 54 Cb 0.97 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3hx2 h GLU 54 CO 0.05 0.97 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.75 3hx2 h LEU 55 N 0.35 0.25 -0.92 1.33 3.38 -1.39 0.00 115.31 118.32 3hx2 h LEU 55 Ca 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hx2 h LEU 55 Cb 0.89 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3hx2 h LEU 55 CO 0.07 0.48 0.26 0.00 0.09 0.00 0.00 178.44 179.34 3hx2 h ALA 56 N 1.55 1.13 0.00 1.53 0.00 -1.17 -0.46 119.26 121.85 3hx2 h ALA 56 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hx2 h ALA 56 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hx2 h ALA 56 CO 0.03 0.61 0.00 1.49 0.00 0.00 0.00 179.25 181.39 3hx2 h GLU 57 N 1.02 0.00 0.02 0.00 4.57 -0.93 -2.55 114.58 116.71 3hx2 h GLU 57 Ca 0.23 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.16 3hx2 h GLU 57 Cb 0.23 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3hx2 h GLU 57 CO -0.02 0.00 -1.02 0.93 -1.18 0.00 0.00 179.01 177.73 3hx2 h GLU 58 N 0.00 0.65 0.00 1.92 5.08 -0.06 -2.66 114.58 119.51 3hx2 h GLU 58 Ca 0.00 -0.73 -0.11 0.00 -1.00 0.00 0.00 59.36 57.52 3hx2 h GLU 58 Cb 0.92 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3hx2 h GLU 58 CO 0.00 1.31 -0.53 0.87 -1.00 0.00 0.00 179.01 179.66 3hx2 h LYS 59 N 0.30 0.00 -0.33 2.33 1.79 -1.10 -2.04 116.57 117.52 3hx2 h LYS 59 Ca -0.13 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.25 3hx2 h LYS 59 Cb 1.68 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.32 3hx2 h LYS 59 CO 0.20 0.53 -0.12 -0.09 -1.08 0.00 0.00 179.45 178.89 3hx2 h ARG 60 N 0.00 0.66 0.00 3.15 2.43 -1.44 -0.88 114.38 118.31 3hx2 h ARG 60 Ca -0.01 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3hx2 h ARG 60 Cb 0.97 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3hx2 h ARG 60 CO 0.07 0.85 0.00 0.93 -1.51 0.00 0.00 179.97 180.31 3hx2 h GLU 61 N 0.44 0.00 0.01 0.20 5.08 -1.34 -1.53 114.58 117.43 3hx2 h GLU 61 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3hx2 h GLU 61 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3hx2 h GLU 61 CO 0.04 0.00 -0.08 0.78 -1.00 0.00 0.00 179.01 178.75 3hx2 h GLY 62 N 1.99 0.05 2.00 -3.84 0.00 -0.63 -2.58 103.07 100.07 3hx2 h GLY 62 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3hx2 h GLY 62 CO 0.00 0.08 -0.44 0.10 0.00 0.00 0.00 176.54 176.29 3hx2 h TYR 63 N -0.79 0.00 0.00 5.60 -0.00 -1.03 -2.09 116.97 118.67 3hx2 h TYR 63 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.61 3hx2 h TYR 63 Cb 0.93 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.64 3hx2 h TYR 63 CO 0.22 0.44 -0.51 0.93 -0.00 0.00 0.00 178.16 179.24 3hx2 h GLU 64 N 0.00 0.00 0.00 0.10 5.08 -1.37 -1.48 114.58 116.92 3hx2 h GLU 64 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3hx2 h GLU 64 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3hx2 h GLU 64 CO 0.06 0.51 -0.90 -0.09 -1.00 0.00 0.00 179.01 177.59 3hx2 h ARG 65 N 0.00 0.24 -0.20 2.33 2.43 -1.04 -2.44 114.38 115.71 3hx2 h ARG 65 Ca -0.01 -0.26 -0.18 0.00 -0.81 0.00 0.00 59.98 58.72 3hx2 h ARG 65 Cb 1.06 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3hx2 h ARG 65 CO 0.07 0.99 -0.59 -0.07 -1.51 0.00 0.00 179.97 178.85 3hx2 h LEU 66 N 0.13 0.87 -0.65 3.80 3.38 -1.10 -2.21 115.31 119.53 3hx2 h LEU 66 Ca -0.05 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.22 3hx2 h LEU 66 Cb 1.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3hx2 h LEU 66 CO 0.14 1.30 -0.21 -0.07 0.09 0.00 0.00 178.44 179.69 3hx2 h LEU 67 N 0.49 0.84 -0.76 1.67 3.38 -1.33 0.12 115.31 119.72 3hx2 h LEU 67 Ca -0.02 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3hx2 h LEU 67 Cb 1.21 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3hx2 h LEU 67 CO 0.13 1.03 0.31 0.50 0.09 0.00 0.00 178.44 180.50 3hx2 h LYS 68 N 0.72 1.13 -0.11 1.13 1.63 -1.43 -2.03 116.57 117.60 3hx2 h LYS 68 Ca 0.10 -0.20 -0.16 0.00 -0.85 0.00 0.00 60.65 59.54 3hx2 h LYS 68 Cb 0.74 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3hx2 h LYS 68 CO 0.06 0.92 -0.61 1.98 -3.45 0.00 0.00 179.45 178.34 3hx2 h MET 69 N 1.10 0.40 0.04 1.90 4.05 -1.14 -2.64 114.93 118.63 3hx2 h MET 69 Ca 0.26 -0.27 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3hx2 h MET 69 Cb 0.20 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 3hx2 h MET 69 CO -0.02 0.89 -0.07 0.37 0.23 0.00 0.00 176.91 178.30 3hx2 h GLN 70 N 0.29 -0.14 -1.00 0.39 5.75 -0.29 -2.17 115.11 117.95 3hx2 h GLN 70 Ca -0.01 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3hx2 h GLN 70 Cb 1.14 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.68 3hx2 h GLN 70 CO 0.10 -0.09 0.67 -0.91 -2.65 0.00 0.00 178.83 175.95 3hx2 h ASN 71 N -0.15 1.15 0.63 -0.69 4.21 -1.35 -1.63 115.58 117.75 3hx2 h ASN 71 Ca 0.02 -0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 3hx2 h ASN 71 Cb 0.16 -0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 37.07 3hx2 h ASN 71 CO -0.05 0.83 -0.15 1.56 -1.29 0.00 0.00 177.43 178.33 3hx2 h GLN 72 N 1.36 0.00 0.00 0.81 4.20 -1.11 -2.15 115.11 118.21 3hx2 h GLN 72 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3hx2 h GLN 72 Cb -0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3hx2 h GLN 72 CO -0.08 0.15 -0.63 0.54 -0.67 0.00 0.00 178.83 178.14 3hx2 n ARG 73 N -3.47 0.14 0.00 1.46 5.12 -0.85 -4.94 116.66 114.13 3hx2 n ARG 73 Ca -0.01 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 3hx2 n ARG 73 Cb 0.31 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3hx2 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx2 n GLY 74 N 1.43 0.24 3.64 -0.13 0.00 -0.81 -4.08 105.19 105.49 3hx2 n GLY 74 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3hx2 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx2 s GLY 75 N -1.91 1.63 -0.12 -0.02 0.00 -0.66 -4.67 107.32 101.57 3hx2 s GLY 75 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.93 3hx2 s GLY 75 CO 0.00 0.71 -0.17 0.50 0.00 0.00 0.00 173.10 174.14 3hx2 s ARG 76 N -4.70 3.25 0.04 2.90 1.81 -1.26 -4.26 118.95 116.73 3hx2 s ARG 76 Ca 0.66 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 53.61 3hx2 s ARG 76 Cb -0.22 -2.52 -0.05 0.00 -0.45 0.00 0.00 34.95 31.71 3hx2 s ARG 76 CO 0.59 0.18 1.20 0.00 -0.68 0.00 0.00 175.30 176.59 3hx2 s ALA 77 N 0.41 3.40 -0.16 2.13 0.00 -1.26 -5.00 121.76 121.28 3hx2 s ALA 77 Ca -0.13 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.64 3hx2 s ALA 77 Cb -0.17 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.54 3hx2 s ALA 77 CO 0.06 -0.48 -0.08 -0.51 0.00 0.00 0.00 175.76 174.75 3hx2 s LEU 78 N 1.24 1.65 0.09 0.00 1.43 -1.26 -5.13 118.68 116.70 3hx2 s LEU 78 Ca 0.58 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3hx2 s LEU 78 Cb -0.29 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 3hx2 s LEU 78 CO 0.28 -0.15 0.33 -0.36 0.23 0.00 0.00 176.35 176.69 3hx2 s PHE 79 N 1.59 3.52 0.00 0.29 0.08 -1.26 -4.88 117.98 117.32 3hx2 s PHE 79 Ca 0.02 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.63 3hx2 s PHE 79 Cb -0.15 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.31 3hx2 s PHE 79 CO -0.08 0.51 0.00 1.04 -0.10 0.00 0.00 175.22 176.59 3hx2 n GLN 80 N 0.49 1.57 -2.49 0.44 1.13 -1.26 -5.12 117.38 112.15 3hx2 n GLN 80 Ca -0.06 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.60 3hx2 n GLN 80 Cb 0.52 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.83 3hx2 n GLN 80 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hx2 s ASP 81 N -0.98 7.27 -0.37 1.08 -0.00 -1.26 -5.00 116.67 117.40 3hx2 s ASP 81 Ca 0.00 2.20 -0.18 0.00 -0.00 0.00 0.00 52.55 54.57 3hx2 s ASP 81 Cb 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.31 3hx2 s ASP 81 CO 0.00 -0.17 0.52 -0.63 -0.00 0.00 0.00 175.17 174.89 3hx2 s ILE 82 N -0.80 5.00 0.22 0.77 1.01 -1.26 -5.04 121.20 121.09 3hx2 s ILE 82 Ca 0.46 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 3hx2 s ILE 82 Cb -0.31 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 3hx2 s ILE 82 CO 0.39 -0.31 1.27 -0.54 0.00 0.00 0.00 174.94 175.75 3hx2 s LYS 83 N 2.42 4.43 0.72 2.79 1.02 -1.26 -4.99 119.74 124.87 3hx2 s LYS 83 Ca 0.18 2.02 -0.16 0.00 0.02 0.00 0.00 55.97 58.03 3hx2 s LYS 83 Cb -0.15 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 3hx2 s LYS 83 CO 0.14 -0.17 1.18 0.36 -0.92 0.00 0.00 175.35 175.94 3hx2 n LYS 84 N 2.25 0.63 -1.01 1.68 2.85 -1.26 -4.88 118.16 118.42 3hx2 n LYS 84 Ca 0.04 0.28 -0.33 0.00 -1.05 0.00 0.00 58.31 57.25 3hx2 n LYS 84 Cb 0.43 -2.42 0.12 0.00 -0.65 0.00 0.00 35.03 32.52 3hx2 n LYS 84 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hx2 n PRO 85 N -2.36 0.02 0.30 -1.58 -0.02 -1.26 -4.90 135.00 125.20 3hx2 n PRO 85 Ca 0.14 0.08 0.19 0.00 -2.02 0.00 0.00 63.50 61.89 3hx2 n PRO 85 Cb 0.49 -2.24 1.01 0.00 -0.02 0.00 0.00 33.50 32.75 3hx2 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx2 h ALA 86 N -1.09 1.36 -2.35 3.55 0.00 -1.97 -3.44 119.26 115.32 3hx2 h ALA 86 Ca -0.45 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 3hx2 h ALA 86 Cb 1.30 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 3hx2 h ALA 86 CO 0.43 -0.09 -0.70 -1.21 0.00 0.00 0.00 179.25 177.68 3hx2 s GLU 87 N -4.40 0.78 -0.15 0.00 0.41 -1.26 -5.04 118.70 109.04 3hx2 s GLU 87 Ca -0.05 -1.25 0.18 0.00 -0.41 0.00 0.00 54.97 53.44 3hx2 s GLU 87 Cb 0.14 -0.18 -0.25 0.00 -1.78 0.00 0.00 34.13 32.06 3hx2 s GLU 87 CO 0.47 -0.02 0.22 -0.25 -0.49 0.00 0.00 175.26 175.19 3hx2 n ASP 88 N 0.16 0.15 -3.96 -0.19 8.00 -1.26 -4.91 116.55 114.53 3hx2 n ASP 88 Ca -0.14 0.07 -0.20 0.00 0.71 0.00 0.00 54.79 55.24 3hx2 n ASP 88 Cb 0.60 0.93 -0.16 0.00 -0.02 0.00 0.00 41.12 42.48 3hx2 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx2 s GLU 89 N -2.63 0.88 0.00 -1.24 2.02 -1.26 -5.02 118.70 111.44 3hx2 s GLU 89 Ca -0.09 -0.23 0.22 0.00 0.02 0.00 0.00 54.97 54.90 3hx2 s GLU 89 Cb 0.07 -0.83 0.62 0.00 0.10 0.00 0.00 34.13 34.09 3hx2 s GLU 89 CO 0.84 0.05 1.52 0.91 0.02 0.00 0.00 175.26 178.60 3hx2 n TRP 90 N 3.51 0.93 -1.65 1.61 7.02 -1.26 -5.07 117.44 122.53 3hx2 n TRP 90 Ca -0.20 -0.47 0.00 0.00 -1.02 0.00 0.00 57.50 55.81 3hx2 n TRP 90 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 3hx2 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx2 n GLY 91 N 1.64 1.88 3.96 6.99 0.00 -1.26 -3.63 105.19 114.78 3hx2 n GLY 91 Ca 0.24 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3hx2 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx2 s LYS 92 N 0.00 3.45 0.28 1.61 1.02 -1.26 -4.92 119.74 119.91 3hx2 s LYS 92 Ca 0.00 -0.69 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 3hx2 s LYS 92 Cb 0.00 -2.86 0.57 0.00 -0.52 0.00 0.00 37.83 35.02 3hx2 s LYS 92 CO 0.00 0.39 1.60 1.15 -0.92 0.00 0.00 175.35 177.57 3hx2 h THR 93 N 1.13 0.16 0.00 2.17 2.02 -2.00 0.44 112.91 116.84 3hx2 h THR 93 Ca -0.52 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 3hx2 h THR 93 Cb 1.23 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3hx2 h THR 93 CO 0.61 0.01 -0.02 -0.65 0.37 0.00 0.00 175.52 175.84 3hx2 h PRO 94 N 0.05 0.00 0.19 6.66 0.11 -1.95 -1.44 132.00 135.63 3hx2 h PRO 94 Ca 0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.36 3hx2 h PRO 94 Cb 0.93 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.07 3hx2 h PRO 94 CO -0.82 0.02 -1.12 -0.44 -0.21 0.00 0.00 178.00 175.44 3hx2 h ASP 95 N 0.00 0.63 -0.75 -2.05 3.45 -0.41 -2.75 116.42 114.54 3hx2 h ASP 95 Ca -0.00 -0.94 -0.05 0.00 0.43 0.00 0.00 57.03 56.47 3hx2 h ASP 95 Cb 0.28 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 3hx2 h ASP 95 CO 0.00 1.54 0.25 0.00 -1.57 0.00 0.00 179.24 179.46 3hx2 h ALA 96 N 0.11 0.98 -0.18 3.45 0.00 -1.07 -2.05 119.26 120.50 3hx2 h ALA 96 Ca -0.20 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3hx2 h ALA 96 Cb 1.87 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3hx2 h ALA 96 CO 0.20 0.64 -0.39 1.98 0.00 0.00 0.00 179.25 181.68 3hx2 h MET 97 N 1.10 0.40 -0.58 0.00 -1.53 -1.36 -0.62 114.93 112.35 3hx2 h MET 97 Ca 0.24 -0.19 -0.10 0.00 -3.44 0.00 0.00 59.70 56.21 3hx2 h MET 97 Cb 0.28 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 3hx2 h MET 97 CO -0.01 0.74 -0.04 0.87 0.14 0.00 0.00 176.91 178.61 3hx2 h LYS 98 N 0.34 1.04 -0.01 0.39 1.57 -1.20 -0.96 116.57 117.74 3hx2 h LYS 98 Ca 0.03 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3hx2 h LYS 98 Cb 0.84 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 3hx2 h LYS 98 CO 0.07 1.04 0.00 0.00 -0.57 0.00 0.00 179.45 179.99 3hx2 h ALA 99 N 1.00 0.02 -0.91 3.86 0.00 -1.05 -0.98 119.26 121.21 3hx2 h ALA 99 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hx2 h ALA 99 Cb 0.59 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3hx2 h ALA 99 CO 0.04 -0.39 0.59 0.00 0.00 0.00 0.00 179.25 179.49 3hx2 h ALA 100 N 0.82 1.19 0.14 0.00 0.00 -1.05 -0.19 119.26 120.17 3hx2 h ALA 100 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hx2 h ALA 100 Cb 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hx2 h ALA 100 CO -0.00 0.47 -0.17 1.98 0.00 0.00 0.00 179.25 181.53 3hx2 h MET 101 N 1.16 -0.34 -0.73 0.00 -1.53 -0.94 -0.29 114.93 112.26 3hx2 h MET 101 Ca 0.36 0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.63 3hx2 h MET 101 Cb -0.02 0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.07 3hx2 h MET 101 CO -0.11 -0.23 0.41 0.00 0.14 0.00 0.00 176.91 177.12 3hx2 h ALA 102 N 0.46 1.33 -0.48 0.39 0.00 -0.65 -1.18 119.26 119.14 3hx2 h ALA 102 Ca 0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hx2 h ALA 102 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hx2 h ALA 102 CO -0.07 0.55 -0.02 1.25 0.00 0.00 0.00 179.25 180.96 3hx2 h LEU 103 N 1.02 0.79 -0.57 0.00 5.85 -0.62 -1.46 115.31 120.32 3hx2 h LEU 103 Ca 0.26 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3hx2 h LEU 103 Cb 0.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3hx2 h LEU 103 CO -0.04 0.87 -0.44 -0.33 -0.34 0.00 0.00 178.44 178.15 3hx2 h GLU 104 N 0.76 0.00 0.01 1.25 4.39 -0.40 -2.03 114.58 118.56 3hx2 h GLU 104 Ca 0.14 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.64 3hx2 h GLU 104 Cb 0.49 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3hx2 h GLU 104 CO 0.02 0.44 -0.94 0.87 -1.16 0.00 0.00 179.01 178.25 3hx2 h LYS 105 N 0.00 0.06 -0.23 2.33 1.57 -0.95 -1.64 116.57 117.72 3hx2 h LYS 105 Ca -0.00 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3hx2 h LYS 105 Cb 1.11 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3hx2 h LYS 105 CO 0.06 0.95 0.00 -0.22 -0.57 0.00 0.00 179.45 179.67 3hx2 h LYS 106 N 0.03 0.40 -0.30 3.15 3.64 -1.11 -1.14 116.57 121.24 3hx2 h LYS 106 Ca -0.03 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3hx2 h LYS 106 Cb 1.64 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 3hx2 h LYS 106 CO 0.13 0.59 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.80 3hx2 h LEU 107 N 0.17 0.54 -1.03 5.20 3.38 -1.40 -2.22 115.31 119.96 3hx2 h LEU 107 Ca 0.06 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3hx2 h LEU 107 Cb 0.40 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3hx2 h LEU 107 CO 0.01 0.74 0.64 -1.13 0.09 0.00 0.00 178.44 178.79 3hx2 h ASN 108 N 0.33 1.01 -0.21 -0.43 -1.24 -1.18 -0.24 115.58 113.62 3hx2 h ASN 108 Ca 0.08 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 3hx2 h ASN 108 Cb 0.48 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3hx2 h ASN 108 CO 0.02 0.63 0.07 -0.61 -1.29 0.00 0.00 177.43 176.25 3hx2 h GLN 109 N 1.13 0.32 -0.87 6.67 5.75 -1.05 -0.53 115.11 126.54 3hx2 h GLN 109 Ca 0.44 -0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.97 3hx2 h GLN 109 Cb 0.22 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 3hx2 h GLN 109 CO -0.18 0.41 0.56 0.00 -2.65 0.00 0.00 178.83 176.97 3hx2 h ALA 110 N 0.89 1.67 -0.16 3.38 0.00 -0.63 0.13 119.26 124.55 3hx2 h ALA 110 Ca 0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hx2 h ALA 110 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hx2 h ALA 110 CO -0.00 0.15 -0.13 -0.07 0.00 0.00 0.00 179.25 179.19 3hx2 h LEU 111 N 0.84 0.40 -1.96 0.00 3.38 -0.73 -1.81 115.31 115.43 3hx2 h LEU 111 Ca 0.40 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hx2 h LEU 111 Cb 0.43 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hx2 h LEU 111 CO -0.17 0.77 -0.10 -0.07 0.09 0.00 0.00 178.44 178.97 3hx2 h LEU 112 N 0.03 0.00 0.15 1.67 3.38 0.14 -0.49 115.31 120.18 3hx2 h LEU 112 Ca 0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 3hx2 h LEU 112 Cb 0.65 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.43 3hx2 h LEU 112 CO 0.03 0.10 -1.10 0.44 0.09 0.00 0.00 178.44 178.00 3hx2 h ASP 113 N 0.00 0.71 0.38 -0.43 3.45 -0.66 -2.81 116.42 117.06 3hx2 h ASP 113 Ca -0.00 -0.88 -0.06 0.00 0.43 0.00 0.00 57.03 56.51 3hx2 h ASP 113 Cb 0.21 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3hx2 h ASP 113 CO 0.01 1.53 -0.30 0.25 -1.57 0.00 0.00 179.24 179.16 3hx2 h LEU 114 N -0.00 0.00 -0.47 1.55 5.85 -0.88 -0.73 115.31 120.63 3hx2 h LEU 114 Ca -0.18 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.37 3hx2 h LEU 114 Cb 1.83 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 3hx2 h LEU 114 CO 0.21 0.30 -0.76 -0.74 -0.34 0.00 0.00 178.44 177.11 3hx2 h HIS 115 N 0.00 0.14 -0.08 1.25 2.76 -1.13 -1.35 115.15 116.74 3hx2 h HIS 115 Ca -0.00 -0.07 -0.24 0.00 -2.20 0.00 0.00 60.37 57.86 3hx2 h HIS 115 Cb 0.57 -0.02 0.02 0.00 1.55 0.00 0.00 27.41 29.53 3hx2 h HIS 115 CO 0.00 0.82 -0.88 0.00 -1.30 0.00 0.00 177.93 176.56 3hx2 h ALA 116 N 1.16 0.22 -0.24 5.26 0.00 -1.15 -2.70 119.26 121.81 3hx2 h ALA 116 Ca -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3hx2 h ALA 116 Cb 1.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3hx2 h ALA 116 CO 0.11 0.67 0.03 1.25 0.00 0.00 0.00 179.25 181.30 3hx2 h LEU 117 N 0.46 0.31 -0.71 0.00 5.85 -1.08 -1.62 115.31 118.52 3hx2 h LEU 117 Ca -0.09 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.46 3hx2 h LEU 117 Cb 1.53 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 3hx2 h LEU 117 CO 0.18 0.34 -0.64 1.23 -0.34 0.00 0.00 178.44 179.22 3hx2 h GLY 118 N 0.59 0.04 2.00 3.75 0.00 -1.16 -2.47 103.07 105.83 3hx2 h GLY 118 Ca 0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 3hx2 h GLY 118 CO 0.00 0.05 -0.69 1.76 0.00 0.00 0.00 176.54 177.66 3hx2 h SER 119 N 0.03 0.00 0.34 0.19 0.02 -0.99 0.43 113.55 113.57 3hx2 h SER 119 Ca -0.01 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 3hx2 h SER 119 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 3hx2 h SER 119 CO 0.09 0.69 -0.85 0.00 -1.14 0.00 0.00 176.83 175.62 3hx2 h ALA 120 N 1.31 0.48 -0.50 3.77 0.00 -1.24 -2.87 119.26 120.20 3hx2 h ALA 120 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hx2 h ALA 120 Cb 1.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hx2 h ALA 120 CO 0.09 0.81 0.00 0.54 0.00 0.00 0.00 179.25 180.69 3hx2 n ARG 121 N -3.77 4.40 -3.97 0.00 5.12 -0.94 -4.95 116.66 112.55 3hx2 n ARG 121 Ca -0.05 -2.74 -0.33 0.00 -1.93 0.00 0.00 57.85 52.80 3hx2 n ARG 121 Cb 0.78 -2.17 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 3hx2 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx2 n THR 122 N 0.55 -1.69 -3.61 0.55 -2.24 -0.95 -4.90 114.28 101.99 3hx2 n THR 122 Ca 0.24 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 3hx2 n THR 122 Cb 1.08 -1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 3hx2 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx2 s ASP 123 N -3.95 6.00 0.58 3.42 -1.08 0.15 -4.93 116.67 116.86 3hx2 s ASP 123 Ca 0.30 -3.46 0.29 0.00 -0.52 0.00 0.00 52.55 49.16 3hx2 s ASP 123 Cb -0.17 -1.94 1.75 0.00 -1.46 0.00 0.00 42.92 41.10 3hx2 s ASP 123 CO 0.71 -0.26 2.23 1.55 0.52 0.00 0.00 175.17 179.92 3hx2 h PRO 124 N 6.41 0.00 -0.21 4.34 0.13 -1.91 -2.52 132.00 138.24 3hx2 h PRO 124 Ca 0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.04 3hx2 h PRO 124 Cb 0.86 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.00 3hx2 h PRO 124 CO 0.83 0.02 -0.69 1.25 -0.23 0.00 0.00 178.00 179.18 3hx2 h HIS 125 N 0.00 1.08 -0.49 1.56 2.76 -1.96 -2.49 115.15 115.61 3hx2 h HIS 125 Ca -0.00 -0.44 -0.13 0.00 -2.20 0.00 0.00 60.37 57.60 3hx2 h HIS 125 Cb 0.05 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3hx2 h HIS 125 CO 0.00 1.27 -0.20 1.25 -1.30 0.00 0.00 177.93 178.95 3hx2 h LEU 126 N 0.59 1.02 -0.43 0.26 5.85 -1.85 -1.31 115.31 119.43 3hx2 h LEU 126 Ca -0.03 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3hx2 h LEU 126 Cb 1.31 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3hx2 h LEU 126 CO 0.15 1.17 0.24 0.00 -0.34 0.00 0.00 178.44 179.66 3hx2 h ASP 128 N 0.57 0.52 -0.76 0.00 3.58 -1.41 -1.75 116.42 117.17 3hx2 h ASP 128 Ca 0.15 -0.22 0.03 0.00 0.42 0.00 0.00 57.03 57.42 3hx2 h ASP 128 Cb 0.04 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.90 3hx2 h ASP 128 CO -0.03 0.85 0.48 0.15 -2.88 0.00 0.00 179.24 177.82 3hx2 h PHE 129 N 0.42 0.91 0.17 0.28 3.04 -0.81 -0.19 116.94 120.75 3hx2 h PHE 129 Ca 0.04 0.02 -0.29 0.00 3.98 0.00 0.00 57.97 61.72 3hx2 h PHE 129 Cb 0.85 -0.30 0.02 0.00 2.56 0.00 0.00 35.95 39.07 3hx2 h PHE 129 CO 0.03 0.52 -1.31 -0.07 -2.02 0.00 0.00 178.31 175.46 3hx2 h LEU 130 N 0.94 0.59 -1.22 0.59 3.38 -1.31 -2.72 115.31 115.57 3hx2 h LEU 130 Ca 0.31 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3hx2 h LEU 130 Cb 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hx2 h LEU 130 CO -0.11 1.48 0.15 -0.33 0.09 0.00 0.00 178.44 179.72 3hx2 h GLU 131 N 0.12 0.69 0.08 1.13 5.08 -1.08 0.89 114.58 121.49 3hx2 h GLU 131 Ca -0.17 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 57.91 3hx2 h GLU 131 Cb 2.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.15 3hx2 h GLU 131 CO 0.23 0.60 -0.80 1.15 -1.00 0.00 0.00 179.01 179.20 3hx2 h THR 132 N 0.68 1.39 -0.00 1.13 2.02 -1.10 -3.40 112.91 113.63 3hx2 h THR 132 Ca 0.16 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.94 3hx2 h THR 132 Cb 0.20 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3hx2 h THR 132 CO -0.01 0.63 -0.70 1.41 0.37 0.00 0.00 175.52 177.23 3hx2 n HIS 133 N -4.25 0.00 0.03 3.16 8.25 -1.03 -4.88 115.22 116.50 3hx2 n HIS 133 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3hx2 n HIS 133 Cb 0.73 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.84 3hx2 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx2 n PHE 134 N -1.27 -0.24 -0.19 4.41 3.72 -0.68 -4.75 117.46 118.47 3hx2 n PHE 134 Ca 0.03 0.04 -0.01 0.00 -0.05 0.00 0.00 57.45 57.46 3hx2 n PHE 134 Cb 0.25 0.14 0.06 0.00 -0.94 0.00 0.00 39.48 38.98 3hx2 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx2 h LEU 135 N 0.00 -0.50 -0.17 4.37 3.38 -1.07 -1.92 115.31 119.40 3hx2 h LEU 135 Ca 0.00 0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3hx2 h LEU 135 Cb 0.48 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3hx2 h LEU 135 CO 0.00 -0.18 -0.51 -0.78 0.09 0.00 0.00 178.44 177.06 3hx2 h ASP 136 N 0.01 0.00 -0.52 -0.43 -0.00 -1.83 -2.80 116.42 110.86 3hx2 h ASP 136 Ca 0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.23 3hx2 h ASP 136 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.75 3hx2 h ASP 136 CO -0.58 0.51 -0.00 -0.33 -0.00 0.00 0.00 179.24 178.84 3hx2 h GLU 137 N 0.00 0.93 -0.24 0.28 4.39 -1.71 -1.12 114.58 117.11 3hx2 h GLU 137 Ca -0.01 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.30 3hx2 h GLU 137 Cb 1.33 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3hx2 h GLU 137 CO 0.07 0.95 -0.23 0.93 -1.16 0.00 0.00 179.01 179.56 3hx2 h GLU 138 N 0.80 0.58 -0.82 2.33 4.39 -1.39 -0.86 114.58 119.61 3hx2 h GLU 138 Ca 0.15 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 3hx2 h GLU 138 Cb 0.53 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 3hx2 h GLU 138 CO 0.03 0.89 0.42 0.28 -1.16 0.00 0.00 179.01 179.47 3hx2 h VAL 139 N 0.28 1.25 -0.43 3.13 2.07 -1.46 0.30 116.25 121.38 3hx2 h VAL 139 Ca 0.04 -0.66 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 3hx2 h VAL 139 Cb 0.78 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3hx2 h VAL 139 CO 0.06 0.29 -0.27 0.11 0.02 0.00 0.00 177.57 177.77 3hx2 h LYS 140 N 1.15 0.95 -0.34 1.57 1.57 -1.15 -2.15 116.57 118.18 3hx2 h LYS 140 Ca 0.29 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 3hx2 h LYS 140 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3hx2 h LYS 140 CO -0.04 1.11 -0.12 1.25 -0.57 0.00 0.00 179.45 181.08 3hx2 h LEU 141 N 0.79 0.70 -0.69 2.94 5.85 -0.66 -1.65 115.31 122.58 3hx2 h LEU 141 Ca 0.09 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3hx2 h LEU 141 Cb 0.86 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3hx2 h LEU 141 CO 0.08 0.92 0.36 0.40 -0.34 0.00 0.00 178.44 179.87 3hx2 h ILE 142 N 0.47 1.22 -0.45 4.05 2.04 -0.41 -0.65 117.51 123.77 3hx2 h ILE 142 Ca 0.08 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3hx2 h ILE 142 Cb 0.64 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3hx2 h ILE 142 CO 0.04 0.24 0.12 0.50 0.00 0.00 0.00 178.15 179.05 3hx2 h LYS 143 N 0.95 0.66 -0.45 2.37 1.63 -1.24 -0.06 116.57 120.43 3hx2 h LYS 143 Ca 0.24 -0.11 -0.13 0.00 -0.85 0.00 0.00 60.65 59.80 3hx2 h LYS 143 Cb 0.06 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3hx2 h LYS 143 CO -0.04 0.59 -0.23 -0.22 -3.45 0.00 0.00 179.45 176.11 3hx2 h LYS 144 N 0.65 0.94 0.00 1.90 3.64 -0.47 -1.67 116.57 121.55 3hx2 h LYS 144 Ca 0.15 -0.40 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 3hx2 h LYS 144 Cb 0.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3hx2 h LYS 144 CO -0.01 1.06 -0.51 0.52 -2.27 0.00 0.00 179.45 178.24 3hx2 h MET 145 N 0.81 0.00 -0.16 1.90 2.86 -0.61 -2.24 114.93 117.49 3hx2 h MET 145 Ca 0.10 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.59 3hx2 h MET 145 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3hx2 h MET 145 CO 0.07 0.51 -0.54 0.78 1.06 0.00 0.00 176.91 178.79 3hx2 h GLY 146 N 2.36 0.50 0.68 8.32 0.00 -0.73 -1.25 103.07 112.96 3hx2 h GLY 146 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3hx2 h GLY 146 CO 0.07 0.51 -0.01 -0.55 0.00 0.00 0.00 176.54 176.56 3hx2 h ASP 147 N 0.35 0.11 -0.41 0.19 3.32 -1.17 -2.65 116.42 116.17 3hx2 h ASP 147 Ca 0.01 -0.37 0.05 0.00 0.02 0.00 0.00 57.03 56.75 3hx2 h ASP 147 Cb 1.06 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 3hx2 h ASP 147 CO 0.10 0.45 0.13 0.45 -1.72 0.00 0.00 179.24 178.65 3hx2 h HIS 148 N -0.23 0.22 -0.45 4.55 3.86 -1.31 -1.72 115.15 120.07 3hx2 h HIS 148 Ca 0.02 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3hx2 h HIS 148 Cb 0.40 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 3hx2 h HIS 148 CO 0.05 0.07 0.24 -0.07 0.86 0.00 0.00 177.93 179.08 3hx2 h LEU 149 N 0.28 0.36 -1.42 2.43 3.38 -1.23 0.74 115.31 119.86 3hx2 h LEU 149 Ca 0.19 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3hx2 h LEU 149 Cb 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3hx2 h LEU 149 CO -0.21 0.26 0.21 0.74 0.09 0.00 0.00 178.44 179.53 3hx2 h THR 150 N 0.48 1.15 0.03 0.22 2.02 -1.06 -1.73 112.91 114.02 3hx2 h THR 150 Ca 0.19 -0.42 -0.21 0.00 0.77 0.00 0.00 66.41 66.74 3hx2 h THR 150 Cb 0.07 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3hx2 h THR 150 CO -0.12 0.17 -0.98 0.78 0.37 0.00 0.00 175.52 175.74 3hx2 h ASN 151 N 0.61 0.20 0.78 4.18 2.35 -0.62 -2.54 115.58 120.54 3hx2 h ASN 151 Ca 0.16 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 3hx2 h ASN 151 Cb 0.06 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3hx2 h ASN 151 CO -0.02 1.06 -0.58 -0.07 -1.65 0.00 0.00 177.43 176.17 3hx2 h LEU 152 N 0.06 0.00 -0.01 1.61 3.38 -0.43 -2.51 115.31 117.41 3hx2 h LEU 152 Ca -0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.68 3hx2 h LEU 152 Cb 1.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3hx2 h LEU 152 CO 0.15 0.58 -1.09 -0.74 0.09 0.00 0.00 178.44 177.42 3hx2 h HIS 153 N 0.00 0.37 -0.29 1.13 2.76 -1.35 -3.28 115.15 114.48 3hx2 h HIS 153 Ca -0.01 -0.25 -0.09 0.00 -2.20 0.00 0.00 60.37 57.82 3hx2 h HIS 153 Cb 1.12 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 3hx2 h HIS 153 CO 0.00 1.15 -0.22 -0.09 -1.30 0.00 0.00 177.93 177.48 3hx2 h ARG 154 N 0.08 0.55 -1.07 5.26 2.43 -1.33 -2.99 114.38 117.31 3hx2 h ARG 154 Ca -0.09 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3hx2 h ARG 154 Cb 1.80 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3hx2 h ARG 154 CO 0.17 0.73 0.00 1.28 -1.51 0.00 0.00 179.97 180.65 3hx2 n LEU 155 N -4.13 1.90 -0.05 3.80 4.77 -0.96 -3.70 117.00 118.63 3hx2 n LEU 155 Ca 0.00 -0.95 -0.03 0.00 -0.03 0.00 0.00 56.01 55.00 3hx2 n LEU 155 Cb 0.39 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3hx2 n LEU 155 CO 0.42 0.34 -0.23 1.23 -1.33 0.00 0.00 177.39 177.82 3hx2 h GLY 156 N 3.82 0.00 0.00 -0.72 0.00 -1.72 -3.49 103.07 100.96 3hx2 h GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hx2 h GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3hx2 n GLY 157 N 1.66 1.55 0.31 4.60 0.00 -1.24 -5.02 105.19 107.05 3hx2 n GLY 157 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3hx2 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx2 h PRO 158 N 0.00 0.08 -1.61 1.61 0.13 -1.97 -3.20 132.00 127.03 3hx2 h PRO 158 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hx2 h PRO 158 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 3hx2 h PRO 158 CO 0.00 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.21 3hx2 n GLU 159 N -5.39 0.82 0.00 0.86 4.71 -1.26 -4.46 120.64 115.92 3hx2 n GLU 159 Ca 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.35 3hx2 n GLU 159 Cb 0.61 -1.09 0.10 0.00 -1.01 0.00 0.00 31.44 30.05 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hx2 n ALA 160 N 1.11 1.76 -2.81 0.62 0.00 -1.21 -4.38 120.51 115.61 3hx2 n ALA 160 Ca 0.00 -0.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 3hx2 n ALA 160 Cb 0.41 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 3hx2 n ALA 160 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hx2 s GLY 161 N -1.87 1.94 0.00 0.00 0.00 -1.26 -5.02 107.32 101.12 3hx2 s GLY 161 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 42.82 3hx2 s GLY 161 CO 0.04 1.20 0.00 1.04 0.00 0.00 0.00 173.10 175.38 3hx2 n LEU 162 N 5.56 0.00 -4.56 0.66 4.77 -1.26 -4.82 117.00 117.36 3hx2 n LEU 162 Ca -0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.48 3hx2 n LEU 162 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3hx2 n LEU 162 CO 0.49 0.00 1.42 -0.83 -1.33 0.00 0.00 177.39 177.15 3hx2 s GLY 163 N 0.00 1.11 0.00 -0.72 0.00 -1.26 -5.23 107.32 101.22 3hx2 s GLY 163 Ca 0.00 -2.04 0.02 0.00 0.00 0.00 0.00 44.72 42.69 3hx2 s GLY 163 CO 0.00 2.75 0.59 1.18 0.00 0.00 0.00 173.10 177.63