#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 s MET 1 N 0.00 4.50 0.37 -0.14 0.23 -1.26 -5.05 119.30 117.95 3hx2 s MET 1 Ca 0.00 1.74 0.06 0.00 -1.03 0.00 0.00 55.69 56.46 3hx2 s MET 1 Cb 0.00 -3.02 -0.01 0.00 -1.53 0.00 0.00 34.83 30.28 3hx2 s MET 1 CO 0.00 0.10 0.52 -1.54 -2.03 0.00 0.00 175.02 172.07 3hx2 s SER 2 N -1.04 5.90 0.48 -1.18 1.04 -1.26 -5.09 113.70 112.55 3hx2 s SER 2 Ca 0.48 -0.12 -0.22 0.00 0.48 0.00 0.00 55.95 56.56 3hx2 s SER 2 Cb -0.30 -1.22 -0.07 0.00 0.10 0.00 0.00 66.02 64.53 3hx2 s SER 2 CO 0.38 -0.52 1.17 -0.55 0.98 0.00 0.00 173.24 174.70 3hx2 s SER 3 N -4.20 6.01 0.20 7.02 0.15 -1.26 -4.92 113.70 116.69 3hx2 s SER 3 Ca 0.47 2.32 0.12 0.00 0.70 0.00 0.00 55.95 59.56 3hx2 s SER 3 Cb -0.10 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.29 3hx2 s SER 3 CO 0.33 -1.03 1.36 0.00 1.20 0.00 0.00 173.24 175.10 3hx2 n GLN 4 N -0.69 0.08 -0.01 5.44 10.64 -1.26 -1.72 117.38 129.86 3hx2 n GLN 4 Ca 0.08 0.57 0.02 0.00 -1.83 0.00 0.00 57.00 55.84 3hx2 n GLN 4 Cb 0.48 -1.80 0.02 0.00 -0.86 0.00 0.00 30.24 28.08 3hx2 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx2 n ILE 5 N -1.93 0.15 -2.38 -0.39 -5.35 -1.26 -5.01 119.36 103.18 3hx2 n ILE 5 Ca -0.01 -0.57 -0.42 0.00 -0.27 0.00 0.00 62.75 61.47 3hx2 n ILE 5 Cb 0.06 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.93 3hx2 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx2 s ARG 6 N -0.45 4.32 -0.18 6.28 3.52 -0.70 -4.73 118.95 127.01 3hx2 s ARG 6 Ca 0.06 1.76 -0.07 0.00 -0.13 0.00 0.00 55.73 57.35 3hx2 s ARG 6 Cb 0.04 -3.59 0.08 0.00 -1.56 0.00 0.00 34.95 29.92 3hx2 s ARG 6 CO 0.05 -0.52 0.38 -1.14 -0.81 0.00 0.00 175.30 173.27 3hx2 s GLN 7 N 2.43 0.29 -1.79 5.12 0.74 -1.26 -4.90 119.66 120.29 3hx2 s GLN 7 Ca 0.58 0.95 0.00 0.00 0.05 0.00 0.00 55.36 56.94 3hx2 s GLN 7 Cb -0.26 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.07 3hx2 s GLN 7 CO 0.23 -0.25 0.00 -1.71 -0.55 0.00 0.00 175.29 173.01 3hx2 n ASN 8 N 5.26 -5.91 -4.16 6.67 5.15 -1.26 -4.97 115.26 116.04 3hx2 n ASN 8 Ca -0.10 -0.01 -0.35 0.00 -0.60 0.00 0.00 54.58 53.52 3hx2 n ASN 8 Cb 0.50 -4.93 -0.13 0.00 -0.53 0.00 0.00 39.78 34.70 3hx2 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx2 s TYR 9 N -3.04 3.37 0.52 1.20 5.04 -1.26 -4.80 117.35 118.38 3hx2 s TYR 9 Ca 0.00 -2.02 -0.17 0.00 -2.44 0.00 0.00 57.07 52.43 3hx2 s TYR 9 Cb 0.00 -2.46 -0.07 0.00 0.35 0.00 0.00 41.96 39.77 3hx2 s TYR 9 CO 0.00 -0.85 1.01 -1.54 -1.34 0.00 0.00 175.55 172.83 3hx2 s SER 10 N 1.41 6.40 0.35 4.32 1.04 -1.26 -4.95 113.70 121.01 3hx2 s SER 10 Ca -0.01 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.19 3hx2 s SER 10 Cb -0.21 -2.53 0.66 0.00 0.10 0.00 0.00 66.02 64.05 3hx2 s SER 10 CO -0.02 -0.74 1.86 0.71 0.98 0.00 0.00 173.24 176.03 3hx2 h THR 11 N 0.98 1.21 0.00 2.02 1.35 -1.99 -1.59 112.91 114.90 3hx2 h THR 11 Ca -0.47 -0.93 0.02 0.00 -0.55 0.00 0.00 66.41 64.48 3hx2 h THR 11 Cb 1.20 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.81 3hx2 h THR 11 CO 0.60 0.29 -0.13 0.44 -0.25 0.00 0.00 175.52 176.47 3hx2 h ASP 12 N 0.31 -0.38 -0.03 5.36 3.32 -1.99 -1.08 116.42 121.92 3hx2 h ASP 12 Ca 0.06 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hx2 h ASP 12 Cb 0.45 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3hx2 h ASP 12 CO 0.03 -0.19 0.02 0.58 -1.72 0.00 0.00 179.24 177.96 3hx2 h VAL 13 N -0.22 1.07 -0.75 -1.35 2.07 -1.88 -0.91 116.25 114.26 3hx2 h VAL 13 Ca 0.05 -0.19 0.17 0.00 0.82 0.00 0.00 66.70 67.55 3hx2 h VAL 13 Cb 0.28 1.13 -0.12 0.00 -1.52 0.00 0.00 31.29 31.06 3hx2 h VAL 13 CO -0.13 0.05 0.12 -0.08 0.02 0.00 0.00 177.57 177.56 3hx2 h GLU 14 N -0.02 0.19 0.58 1.57 4.81 -1.04 -0.03 114.58 120.65 3hx2 h GLU 14 Ca 0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hx2 h GLU 14 Cb 0.07 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hx2 h GLU 14 CO -0.00 0.13 -0.28 0.00 -0.73 0.00 0.00 179.01 178.13 3hx2 h ALA 15 N 1.66 -0.78 -1.02 2.92 0.00 -0.97 -2.88 119.26 118.20 3hx2 h ALA 15 Ca 0.43 -0.20 0.29 0.00 0.00 0.00 0.00 54.91 55.44 3hx2 h ALA 15 Cb 0.76 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3hx2 h ALA 15 CO -0.58 -0.78 0.76 0.00 0.00 0.00 0.00 179.25 178.65 3hx2 h ALA 16 N -0.93 2.94 0.00 0.00 0.00 -0.35 -0.58 119.26 120.34 3hx2 h ALA 16 Ca -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hx2 h ALA 16 Cb 0.65 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hx2 h ALA 16 CO 0.13 -1.28 -0.00 0.28 0.00 0.00 0.00 179.25 178.38 3hx2 h VAL 17 N 0.00 1.50 -0.60 0.00 2.07 -0.95 -0.84 116.25 117.42 3hx2 h VAL 17 Ca 0.48 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.62 3hx2 h VAL 17 Cb 1.99 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 34.22 3hx2 h VAL 17 CO -0.01 0.38 0.40 0.78 0.02 0.00 0.00 177.57 179.15 3hx2 h ASN 18 N -0.63 0.44 -0.11 0.57 2.35 -0.92 0.24 115.58 117.53 3hx2 h ASN 18 Ca -0.00 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3hx2 h ASN 18 Cb 0.62 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 3hx2 h ASN 18 CO 0.00 0.28 -0.10 -1.28 -1.65 0.00 0.00 177.43 174.68 3hx2 h SER 19 N 0.50 0.28 -0.07 5.81 0.87 -1.31 -1.97 113.55 117.66 3hx2 h SER 19 Ca 0.27 -0.47 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 3hx2 h SER 19 Cb 0.41 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3hx2 h SER 19 CO -0.08 0.69 -0.01 0.25 -0.53 0.00 0.00 176.83 177.15 3hx2 h LEU 20 N -0.13 0.21 0.05 2.23 5.85 0.31 0.58 115.31 124.41 3hx2 h LEU 20 Ca 0.02 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hx2 h LEU 20 Cb 0.61 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3hx2 h LEU 20 CO 0.03 0.26 -0.02 0.58 -0.34 0.00 0.00 178.44 178.95 3hx2 h VAL 21 N 0.23 1.07 -0.89 1.05 2.07 -0.42 -0.86 116.25 118.50 3hx2 h VAL 21 Ca 0.05 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3hx2 h VAL 21 Cb 0.18 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3hx2 h VAL 21 CO 0.00 0.09 0.58 -1.13 0.02 0.00 0.00 177.57 177.14 3hx2 h ASN 22 N -0.22 0.99 0.27 0.57 -0.73 -0.57 0.15 115.58 116.05 3hx2 h ASN 22 Ca -0.01 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.11 3hx2 h ASN 22 Cb 0.20 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 3hx2 h ASN 22 CO 0.01 0.71 -0.19 0.25 -0.37 0.00 0.00 177.43 177.84 3hx2 h LEU 23 N 1.17 0.00 0.19 0.34 5.85 -0.66 -1.47 115.31 120.72 3hx2 h LEU 23 Ca 0.33 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.80 3hx2 h LEU 23 Cb -0.09 0.00 0.03 0.00 0.37 0.00 0.00 40.66 40.97 3hx2 h LEU 23 CO -0.09 0.19 -1.11 1.88 -0.34 0.00 0.00 178.44 178.97 3hx2 h TYR 24 N 0.00 0.75 -0.89 1.25 -1.99 0.50 -2.32 116.97 114.27 3hx2 h TYR 24 Ca -0.00 -0.54 0.04 0.00 2.00 0.00 0.00 58.73 60.23 3hx2 h TYR 24 Cb 0.37 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 39.02 3hx2 h TYR 24 CO 0.00 1.42 0.59 -0.07 -0.00 0.00 0.00 178.16 180.10 3hx2 h LEU 25 N -0.14 0.95 -0.30 3.88 3.38 -0.58 0.25 115.31 122.74 3hx2 h LEU 25 Ca -0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3hx2 h LEU 25 Cb 1.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 3hx2 h LEU 25 CO 0.21 0.64 0.03 -0.61 0.09 0.00 0.00 178.44 178.80 3hx2 h GLN 26 N 1.09 0.51 -0.59 1.13 4.15 -1.32 -0.51 115.11 119.57 3hx2 h GLN 26 Ca 0.36 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 3hx2 h GLN 26 Cb 0.07 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3hx2 h GLN 26 CO -0.12 0.63 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 3hx2 h ALA 27 N 0.86 0.89 -0.67 3.38 0.00 -0.80 -1.43 119.26 121.50 3hx2 h ALA 27 Ca 0.09 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hx2 h ALA 27 Cb 0.38 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3hx2 h ALA 27 CO 0.01 0.66 0.38 1.03 0.00 0.00 0.00 179.25 181.32 3hx2 h SER 28 N 0.94 0.56 0.09 0.00 0.87 -0.24 -1.83 113.55 113.95 3hx2 h SER 28 Ca 0.17 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3hx2 h SER 28 Cb 0.54 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3hx2 h SER 28 CO 0.03 0.37 -0.04 0.22 -0.53 0.00 0.00 176.83 176.87 3hx2 h TYR 29 N 0.70 -0.12 -0.44 2.24 5.03 -0.71 -2.36 116.97 121.31 3hx2 h TYR 29 Ca 0.29 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.69 3hx2 h TYR 29 Cb 0.17 0.04 -0.09 0.00 1.55 0.00 0.00 36.73 38.40 3hx2 h TYR 29 CO -0.07 0.03 -0.15 1.15 -1.32 0.00 0.00 178.16 177.79 3hx2 h THR 30 N -0.24 0.48 -0.44 1.81 2.02 -0.85 -0.73 112.91 114.96 3hx2 h THR 30 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3hx2 h THR 30 Cb 0.20 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3hx2 h THR 30 CO 0.02 0.00 0.23 1.88 0.37 0.00 0.00 175.52 178.02 3hx2 h TYR 31 N -0.05 0.59 -0.33 3.16 0.05 -1.25 0.37 116.97 119.51 3hx2 h TYR 31 Ca 0.21 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 3hx2 h TYR 31 Cb 0.38 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3hx2 h TYR 31 CO -0.42 0.42 0.18 1.25 -1.05 0.00 0.00 178.16 178.55 3hx2 h LEU 32 N 0.61 0.40 -0.23 3.88 5.85 -0.61 0.53 115.31 125.74 3hx2 h LEU 32 Ca 0.16 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hx2 h LEU 32 Cb 0.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3hx2 h LEU 32 CO -0.02 0.37 0.11 -1.28 -0.34 0.00 0.00 178.44 177.27 3hx2 h SER 33 N 0.41 0.30 -0.64 1.25 0.87 -0.57 -1.97 113.55 113.19 3hx2 h SER 33 Ca 0.12 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hx2 h SER 33 Cb 0.05 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3hx2 h SER 33 CO -0.02 0.32 0.40 -0.07 -0.53 0.00 0.00 176.83 176.94 3hx2 h LEU 34 N 0.24 0.76 0.26 2.23 3.38 -0.65 -1.31 115.31 120.24 3hx2 h LEU 34 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hx2 h LEU 34 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3hx2 h LEU 34 CO -0.01 0.58 -0.13 1.23 0.09 0.00 0.00 178.44 180.20 3hx2 h GLY 35 N 0.91 -0.37 2.00 0.83 0.00 0.67 -3.09 103.07 104.02 3hx2 h GLY 35 Ca 0.23 0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 3hx2 h GLY 35 CO -0.05 -0.13 -0.32 0.74 0.00 0.00 0.00 176.54 176.78 3hx2 h PHE 36 N -0.54 0.00 -0.12 5.60 -1.00 -1.23 -3.10 116.94 116.55 3hx2 h PHE 36 Ca -0.04 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.79 3hx2 h PHE 36 Cb 0.40 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 3hx2 h PHE 36 CO -0.01 0.32 -0.20 -0.92 -1.61 0.00 0.00 178.31 175.89 3hx2 h TYR 37 N 0.00 -0.53 0.00 -0.55 3.20 -1.15 0.07 116.97 118.01 3hx2 h TYR 37 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hx2 h TYR 37 Cb 0.66 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.18 3hx2 h TYR 37 CO 0.00 -0.28 0.00 1.19 -1.64 0.00 0.00 178.16 177.43 3hx2 n PHE 38 N -5.34 0.00 0.57 -3.82 3.72 -1.18 -1.95 117.46 109.47 3hx2 n PHE 38 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 3hx2 n PHE 38 Cb 0.25 -0.37 0.22 0.00 -0.94 0.00 0.00 39.48 38.65 3hx2 n PHE 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3hx2 h ASP 39 N 0.00 0.00 -3.96 4.37 -0.00 -0.99 -1.29 116.42 114.55 3hx2 h ASP 39 Ca 0.00 -0.15 -0.55 0.00 -0.00 0.00 0.00 57.03 56.32 3hx2 h ASP 39 Cb 0.21 0.00 0.14 0.00 -0.00 0.00 0.00 39.33 39.67 3hx2 h ASP 39 CO 0.00 0.08 0.61 0.54 -0.00 0.00 0.00 179.24 180.46 3hx2 n ARG 40 N -2.18 1.84 0.28 0.28 1.74 -0.82 -4.64 116.66 113.16 3hx2 n ARG 40 Ca 0.04 0.67 0.16 0.00 -0.77 0.00 0.00 57.85 57.94 3hx2 n ARG 40 Cb 0.44 -2.57 0.84 0.00 -1.02 0.00 0.00 32.46 30.15 3hx2 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx2 h ASP 41 N 1.68 0.00 0.19 0.55 2.03 -1.90 0.39 116.42 119.36 3hx2 h ASP 41 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3hx2 h ASP 41 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3hx2 h ASP 41 CO 0.58 0.07 -0.08 -0.90 -1.03 0.00 0.00 179.24 177.87 3hx2 n ASP 42 N -3.47 0.74 0.00 4.15 5.68 -1.26 -4.21 116.55 118.17 3hx2 n ASP 42 Ca -0.02 -0.93 -0.04 0.00 -0.50 0.00 0.00 54.79 53.31 3hx2 n ASP 42 Cb 0.20 -0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 3hx2 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hx2 n VAL 43 N -0.63 1.09 -3.63 2.12 0.31 -0.58 -5.09 118.33 111.93 3hx2 n VAL 43 Ca 0.17 0.23 -0.23 0.00 -0.01 0.00 0.00 64.34 64.50 3hx2 n VAL 43 Cb 0.28 -1.74 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 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 -3.65 -2.66 -3.41 3.52 0.00 0.13 -4.98 120.51 109.46 3hx2 n ALA 44 Ca -0.06 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 3hx2 n ALA 44 Cb 0.25 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 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 -3.07 1.41 -0.35 0.00 4.77 -0.50 -4.98 117.00 114.29 3hx2 n LEU 45 Ca -0.17 -4.90 0.14 0.00 -0.03 0.00 0.00 56.01 51.05 3hx2 n LEU 45 Cb 0.61 0.06 0.34 0.00 -2.33 0.00 0.00 43.42 42.10 3hx2 n LEU 45 CO 0.63 1.97 1.17 -0.08 -1.33 0.00 0.00 177.39 179.76 3hx2 h GLU 46 N 4.62 0.66 -0.21 3.23 4.81 -1.94 0.20 114.58 125.94 3hx2 h GLU 46 Ca 0.16 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3hx2 h GLU 46 Cb 0.81 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3hx2 h GLU 46 CO 0.58 0.44 0.08 0.78 -0.73 0.00 0.00 179.01 180.15 3hx2 h GLY 47 N 0.68 0.26 1.11 1.92 0.00 -1.95 0.10 103.07 105.19 3hx2 h GLY 47 Ca 0.60 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.75 3hx2 h GLY 47 CO -0.42 0.03 -0.22 -2.08 0.00 0.00 0.00 176.54 173.85 3hx2 h VAL 48 N 0.18 1.27 0.16 4.60 2.07 -1.64 -1.24 116.25 121.64 3hx2 h VAL 48 Ca 0.09 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3hx2 h VAL 48 Cb 0.06 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3hx2 h VAL 48 CO -0.09 0.48 -0.25 -1.28 0.02 0.00 0.00 177.57 176.45 3hx2 h SER 49 N 0.86 -0.70 -0.70 0.57 0.87 -0.60 -1.88 113.55 111.96 3hx2 h SER 49 Ca 0.11 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 3hx2 h SER 49 Cb 0.80 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.96 3hx2 h SER 49 CO 0.07 -0.35 0.36 -0.74 -0.53 0.00 0.00 176.83 175.64 3hx2 h HIS 50 N -0.48 0.65 -0.30 2.24 6.17 -0.71 -1.47 115.15 121.25 3hx2 h HIS 50 Ca 0.02 0.03 0.07 0.00 0.71 0.00 0.00 60.37 61.19 3hx2 h HIS 50 Cb 0.49 -0.19 -0.07 0.00 2.52 0.00 0.00 27.41 30.16 3hx2 h HIS 50 CO -0.21 0.26 -0.17 0.35 0.71 0.00 0.00 177.93 178.87 3hx2 h PHE 51 N 0.63 -0.42 0.00 5.26 3.57 -0.55 -1.26 116.94 124.16 3hx2 h PHE 51 Ca 0.34 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 3hx2 h PHE 51 Cb 0.32 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3hx2 h PHE 51 CO -0.10 -0.24 -0.57 0.74 -2.23 0.00 0.00 178.31 175.91 3hx2 h PHE 52 N -0.13 0.00 -0.55 0.41 -1.00 -0.86 -2.86 116.94 111.94 3hx2 h PHE 52 Ca 0.16 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.85 3hx2 h PHE 52 Cb 0.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 3hx2 h PHE 52 CO -0.36 0.57 0.00 0.00 -1.61 0.00 0.00 178.31 176.90 3hx2 h ARG 53 N 0.00 0.95 0.35 1.51 3.08 -0.54 0.30 114.38 120.03 3hx2 h ARG 53 Ca -0.01 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 3hx2 h ARG 53 Cb 1.09 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3hx2 h ARG 53 CO 0.07 0.94 -0.17 0.93 -1.07 0.00 0.00 179.97 180.67 3hx2 h GLU 54 N 0.88 -0.46 -0.72 0.04 5.08 -1.20 -2.02 114.58 116.17 3hx2 h GLU 54 Ca 0.16 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.69 3hx2 h GLU 54 Cb 0.51 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 3hx2 h GLU 54 CO 0.03 -0.21 0.48 -0.07 -1.00 0.00 0.00 179.01 178.24 3hx2 h LEU 55 N -0.64 0.38 -0.65 1.33 3.38 -1.32 0.33 115.31 118.13 3hx2 h LEU 55 Ca -0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3hx2 h LEU 55 Cb 0.46 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3hx2 h LEU 55 CO 0.08 0.20 0.33 0.00 0.09 0.00 0.00 178.44 179.15 3hx2 h ALA 56 N 1.66 0.84 -0.06 1.53 0.00 -0.53 -2.00 119.26 120.69 3hx2 h ALA 56 Ca 0.35 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3hx2 h ALA 56 Cb 0.79 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hx2 h ALA 56 CO -0.11 0.38 -0.59 1.49 0.00 0.00 0.00 179.25 180.42 3hx2 h GLU 57 N 0.89 0.19 -0.50 0.00 4.57 0.24 -2.68 114.58 117.28 3hx2 h GLU 57 Ca 0.23 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3hx2 h GLU 57 Cb 0.08 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3hx2 h GLU 57 CO -0.03 0.72 0.11 0.93 -1.18 0.00 0.00 179.01 179.56 3hx2 h GLU 58 N 0.14 0.82 0.00 1.92 5.08 -0.32 -1.91 114.58 120.30 3hx2 h GLU 58 Ca -0.00 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3hx2 h GLU 58 Cb 1.08 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3hx2 h GLU 58 CO 0.09 0.79 -0.39 0.87 -1.00 0.00 0.00 179.01 179.38 3hx2 h LYS 59 N 0.70 0.00 0.21 2.33 1.79 -1.32 -0.94 116.57 119.35 3hx2 h LYS 59 Ca 0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 3hx2 h LYS 59 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3hx2 h LYS 59 CO 0.00 0.39 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.57 3hx2 h ARG 60 N 0.00 -0.28 -0.59 3.15 2.43 -1.09 -1.23 114.38 116.77 3hx2 h ARG 60 Ca -0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3hx2 h ARG 60 Cb 0.73 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3hx2 h ARG 60 CO 0.05 -0.10 0.39 0.93 -1.51 0.00 0.00 179.97 179.73 3hx2 h GLU 61 N -0.41 0.55 0.55 0.20 5.08 -1.04 -1.39 114.58 118.12 3hx2 h GLU 61 Ca -0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3hx2 h GLU 61 Cb 0.31 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hx2 h GLU 61 CO 0.05 0.37 -0.26 0.78 -1.00 0.00 0.00 179.01 178.94 3hx2 h GLY 62 N 0.57 -0.76 2.00 -3.84 0.00 -0.43 0.14 103.07 100.75 3hx2 h GLY 62 Ca 0.25 0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.80 3hx2 h GLY 62 CO -0.07 -0.28 -0.31 0.10 0.00 0.00 0.00 176.54 175.98 3hx2 h TYR 63 N -0.74 0.00 -0.28 5.60 -0.00 -0.77 -1.35 116.97 119.43 3hx2 h TYR 63 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.47 3hx2 h TYR 63 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.29 3hx2 h TYR 63 CO -0.04 0.31 -0.53 0.93 -0.00 0.00 0.00 178.16 178.83 3hx2 h GLU 64 N 0.00 0.86 -0.48 0.10 5.08 -1.09 -0.32 114.58 118.73 3hx2 h GLU 64 Ca -0.00 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 3hx2 h GLU 64 Cb 0.75 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3hx2 h GLU 64 CO 0.04 1.18 0.26 -0.09 -1.00 0.00 0.00 179.01 179.40 3hx2 h ARG 65 N 0.64 0.67 -0.53 2.33 2.43 -0.30 0.10 114.38 119.73 3hx2 h ARG 65 Ca 0.01 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 3hx2 h ARG 65 Cb 1.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3hx2 h ARG 65 CO 0.12 0.53 0.02 -0.07 -1.51 0.00 0.00 179.97 179.06 3hx2 h LEU 66 N 0.64 0.89 -0.77 3.80 3.38 -1.15 -2.02 115.31 120.07 3hx2 h LEU 66 Ca 0.17 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3hx2 h LEU 66 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3hx2 h LEU 66 CO -0.03 0.97 0.07 -0.07 0.09 0.00 0.00 178.44 179.47 3hx2 h LEU 67 N 0.79 0.96 -0.38 1.67 3.38 -0.71 -0.51 115.31 120.51 3hx2 h LEU 67 Ca 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3hx2 h LEU 67 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hx2 h LEU 67 CO 0.02 0.98 0.18 0.50 0.09 0.00 0.00 178.44 180.21 3hx2 h LYS 68 N 0.93 0.55 -0.61 1.13 1.63 -0.60 -2.80 116.57 116.81 3hx2 h LYS 68 Ca 0.18 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3hx2 h LYS 68 Cb 0.45 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 3hx2 h LYS 68 CO 0.02 0.50 0.38 1.98 -3.45 0.00 0.00 179.45 178.87 3hx2 h MET 69 N 0.48 0.82 -0.55 1.90 4.05 -1.04 -2.51 114.93 118.07 3hx2 h MET 69 Ca 0.13 -0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.59 3hx2 h MET 69 Cb 0.13 -0.18 -0.09 0.00 -0.80 0.00 0.00 31.60 30.67 3hx2 h MET 69 CO -0.02 0.57 0.03 0.37 0.23 0.00 0.00 176.91 178.09 3hx2 h GLN 70 N 0.82 0.14 -0.67 0.39 5.75 -0.85 -1.25 115.11 119.45 3hx2 h GLN 70 Ca 0.22 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.64 3hx2 h GLN 70 Cb -0.04 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 3hx2 h GLN 70 CO -0.04 0.09 0.16 -0.91 -2.65 0.00 0.00 178.83 175.48 3hx2 h ASN 71 N 0.15 1.00 -0.43 -0.69 4.21 -1.24 -0.03 115.58 118.55 3hx2 h ASN 71 Ca 0.28 -0.21 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 3hx2 h ASN 71 Cb 0.43 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 3hx2 h ASN 71 CO -0.44 0.97 0.15 1.56 -1.29 0.00 0.00 177.43 178.38 3hx2 h GLN 72 N 1.01 0.73 0.00 0.81 4.20 -0.84 -2.11 115.11 118.90 3hx2 h GLN 72 Ca 0.21 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hx2 h GLN 72 Cb 0.36 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3hx2 h GLN 72 CO 0.00 0.64 -0.02 0.54 -0.67 0.00 0.00 178.83 179.32 3hx2 n ARG 73 N -4.31 0.14 -0.14 1.46 5.12 -0.67 -4.90 116.66 113.36 3hx2 n ARG 73 Ca 0.04 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 3hx2 n ARG 73 Cb 0.19 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 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 1.40 0.76 3.82 -0.13 0.00 -0.80 -4.19 105.19 106.05 3hx2 n GLY 74 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.59 1.64 -0.07 -0.02 0.00 -0.06 -4.58 107.32 102.64 3hx2 s GLY 75 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3hx2 s GLY 75 CO 0.00 -0.15 -0.10 0.50 0.00 0.00 0.00 173.10 173.35 3hx2 s ARG 76 N -5.53 1.46 0.15 2.90 1.81 -1.26 -4.34 118.95 114.13 3hx2 s ARG 76 Ca 0.68 -0.31 -0.30 0.00 -1.72 0.00 0.00 55.73 54.07 3hx2 s ARG 76 Cb -0.10 -1.29 -0.07 0.00 -0.45 0.00 0.00 34.95 33.03 3hx2 s ARG 76 CO 0.53 -0.04 1.16 0.00 -0.68 0.00 0.00 175.30 176.26 3hx2 s ALA 77 N 0.89 3.39 -0.22 2.13 0.00 -1.26 -4.97 121.76 121.71 3hx2 s ALA 77 Ca -0.11 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 3hx2 s ALA 77 Cb -0.15 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.64 3hx2 s ALA 77 CO 0.01 -0.32 0.02 -0.51 0.00 0.00 0.00 175.76 174.96 3hx2 s LEU 78 N 0.07 1.71 0.20 0.00 1.43 -1.26 -5.14 118.68 115.70 3hx2 s LEU 78 Ca 0.53 -1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 3hx2 s LEU 78 Cb -0.30 -0.79 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 3hx2 s LEU 78 CO 0.34 -0.31 0.60 -0.36 0.23 0.00 0.00 176.35 176.85 3hx2 s PHE 79 N 1.70 3.52 0.28 0.29 0.08 -1.26 -4.85 117.98 117.74 3hx2 s PHE 79 Ca -0.00 1.07 0.08 0.00 0.12 0.00 0.00 56.93 58.19 3hx2 s PHE 79 Cb -0.18 -2.39 -0.06 0.00 -0.57 0.00 0.00 43.02 39.83 3hx2 s PHE 79 CO -0.10 0.32 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.60 3hx2 s GLN 80 N -2.36 1.57 0.61 0.44 -1.52 -1.26 -5.11 119.66 112.03 3hx2 s GLN 80 Ca 0.43 -1.78 -0.18 0.00 -1.95 0.00 0.00 55.36 51.89 3hx2 s GLN 80 Cb -0.13 -1.30 -0.06 0.00 -0.22 0.00 0.00 33.01 31.29 3hx2 s GLN 80 CO 0.20 0.11 0.69 -0.25 -0.25 0.00 0.00 175.29 175.78 3hx2 n ASP 81 N -0.59 -0.40 -4.39 5.90 10.43 -1.26 -4.94 116.55 121.29 3hx2 n ASP 81 Ca -0.06 0.74 -0.40 0.00 2.57 0.00 0.00 54.79 57.64 3hx2 n ASP 81 Cb 0.63 -1.26 -0.11 0.00 1.84 0.00 0.00 41.12 42.21 3hx2 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx2 s ILE 82 N -1.68 4.61 0.33 0.53 1.01 -1.26 -5.06 121.20 119.69 3hx2 s ILE 82 Ca 0.71 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 3hx2 s ILE 82 Cb -0.42 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3hx2 s ILE 82 CO 0.52 -0.17 1.54 -0.75 0.00 0.00 0.00 174.94 176.08 3hx2 s LYS 83 N 1.57 4.11 0.63 2.79 2.20 -1.26 -4.98 119.74 124.82 3hx2 s LYS 83 Ca 0.03 2.58 -0.15 0.00 -0.36 0.00 0.00 55.97 58.06 3hx2 s LYS 83 Cb -0.19 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 3hx2 s LYS 83 CO 0.07 -0.59 1.09 -1.59 -0.36 0.00 0.00 175.35 173.97 3hx2 s LYS 84 N -1.28 3.00 0.53 4.03 -2.85 -1.26 -4.86 119.74 117.05 3hx2 s LYS 84 Ca 0.58 1.30 -0.21 0.00 -1.00 0.00 0.00 55.97 56.65 3hx2 s LYS 84 Cb -0.47 -1.98 -0.08 0.00 -2.06 0.00 0.00 37.83 33.24 3hx2 s LYS 84 CO 0.55 -1.08 0.90 -2.30 0.10 0.00 0.00 175.35 173.53 3hx2 n PRO 85 N -2.29 1.00 0.00 1.78 -0.02 -1.26 -4.85 135.00 129.35 3hx2 n PRO 85 Ca 0.10 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3hx2 n PRO 85 Cb 0.52 -2.04 0.24 0.00 -0.02 0.00 0.00 33.50 32.21 3hx2 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx2 n ALA 86 N -1.26 1.62 -2.29 3.55 0.00 -1.26 -4.76 120.51 116.11 3hx2 n ALA 86 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 3hx2 n ALA 86 Cb 0.44 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 3hx2 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx2 s GLU 87 N -2.56 1.23 0.00 0.00 0.41 -1.26 -5.03 118.70 111.48 3hx2 s GLU 87 Ca 0.09 -1.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.06 3hx2 s GLU 87 Cb 0.06 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.70 3hx2 s GLU 87 CO 0.15 -0.41 0.00 -0.25 -0.49 0.00 0.00 175.26 174.26 3hx2 n ASP 88 N -0.28 4.63 -4.09 -0.19 8.00 -1.26 -5.01 116.55 118.36 3hx2 n ASP 88 Ca 0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 3hx2 n ASP 88 Cb 0.66 0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 42.55 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 -1.85 0.68 0.00 -1.24 2.02 -1.26 -4.99 118.70 112.05 3hx2 s GLU 89 Ca 0.00 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.30 3hx2 s GLU 89 Cb 0.00 -0.58 0.06 0.00 0.10 0.00 0.00 34.13 33.70 3hx2 s GLU 89 CO 0.00 0.13 1.05 0.91 0.02 0.00 0.00 175.26 177.37 3hx2 n TRP 90 N 1.78 0.09 0.00 1.61 7.02 -1.26 -5.10 117.44 121.58 3hx2 n TRP 90 Ca -0.20 -0.50 0.00 0.00 -1.02 0.00 0.00 57.50 55.78 3hx2 n TRP 90 Cb 0.55 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 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 -0.31 2.40 3.91 6.99 0.00 -1.26 -3.75 105.19 113.16 3hx2 n GLY 91 Ca 0.02 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 2.87 0.25 1.61 1.02 -1.26 -4.97 119.74 119.27 3hx2 s LYS 92 Ca 0.00 -1.19 -0.12 0.00 0.02 0.00 0.00 55.97 54.68 3hx2 s LYS 92 Cb 0.00 -2.61 0.34 0.00 -0.52 0.00 0.00 37.83 35.04 3hx2 s LYS 92 CO 0.00 0.08 1.57 1.15 -0.92 0.00 0.00 175.35 177.23 3hx2 h THR 93 N 1.11 0.06 0.00 2.17 2.02 -2.00 -0.13 112.91 116.13 3hx2 h THR 93 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3hx2 h THR 93 Cb 1.25 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3hx2 h THR 93 CO 0.56 0.00 -0.09 -0.65 0.37 0.00 0.00 175.52 175.71 3hx2 h PRO 94 N -0.02 0.00 -0.09 6.66 0.11 -1.96 -0.71 132.00 136.00 3hx2 h PRO 94 Ca 0.40 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.41 3hx2 h PRO 94 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3hx2 h PRO 94 CO -0.94 0.09 -0.32 -0.44 -0.21 0.00 0.00 178.00 176.18 3hx2 h ASP 95 N 0.00 0.44 -0.30 -2.05 3.45 -1.31 -1.86 116.42 114.80 3hx2 h ASP 95 Ca -0.00 -0.62 0.01 0.00 0.43 0.00 0.00 57.03 56.85 3hx2 h ASP 95 Cb 0.17 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 3hx2 h ASP 95 CO 0.01 0.98 0.16 0.00 -1.57 0.00 0.00 179.24 178.83 3hx2 h ALA 96 N 0.47 0.37 -0.32 3.45 0.00 -0.94 -1.22 119.26 121.05 3hx2 h ALA 96 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hx2 h ALA 96 Cb 0.95 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hx2 h ALA 96 CO 0.07 -0.21 0.00 1.98 0.00 0.00 0.00 179.25 181.09 3hx2 h MET 97 N 0.34 0.50 -0.44 0.00 -1.53 -1.17 -1.20 114.93 111.43 3hx2 h MET 97 Ca 0.12 -0.10 -0.03 0.00 -3.44 0.00 0.00 59.70 56.24 3hx2 h MET 97 Cb 0.01 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 30.97 3hx2 h MET 97 CO -0.06 0.52 0.14 0.87 0.14 0.00 0.00 176.91 178.52 3hx2 h LYS 98 N 0.48 0.68 -0.68 0.39 1.57 -0.49 0.12 116.57 118.63 3hx2 h LYS 98 Ca 0.10 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3hx2 h LYS 98 Cb 0.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3hx2 h LYS 98 CO 0.01 0.65 0.13 0.00 -0.57 0.00 0.00 179.45 179.67 3hx2 h ALA 99 N 0.99 0.91 -0.19 3.86 0.00 -0.71 -1.21 119.26 122.91 3hx2 h ALA 99 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hx2 h ALA 99 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hx2 h ALA 99 CO -0.01 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.96 3hx2 h ALA 100 N 1.06 0.25 -0.91 0.00 0.00 -1.02 0.15 119.26 118.79 3hx2 h ALA 100 Ca 0.21 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3hx2 h ALA 100 Cb 0.42 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3hx2 h ALA 100 CO 0.01 -0.11 0.56 1.98 0.00 0.00 0.00 179.25 181.68 3hx2 h MET 101 N 0.13 0.90 -0.12 0.00 -1.53 -0.54 -0.63 114.93 113.13 3hx2 h MET 101 Ca 0.06 -0.05 -0.19 0.00 -3.44 0.00 0.00 59.70 56.08 3hx2 h MET 101 Cb 0.25 -0.20 -0.00 0.00 -0.55 0.00 0.00 31.60 31.10 3hx2 h MET 101 CO -0.00 0.59 -0.70 0.00 0.14 0.00 0.00 176.91 176.94 3hx2 h ALA 102 N 1.48 0.55 -0.66 0.39 0.00 -0.90 -2.80 119.26 117.33 3hx2 h ALA 102 Ca 0.44 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hx2 h ALA 102 Cb 0.37 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3hx2 h ALA 102 CO -0.24 0.73 0.34 1.25 0.00 0.00 0.00 179.25 181.32 3hx2 h LEU 103 N 0.37 0.85 -0.34 0.00 5.85 0.31 -2.39 115.31 119.95 3hx2 h LEU 103 Ca -0.03 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 3hx2 h LEU 103 Cb 1.29 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3hx2 h LEU 103 CO 0.13 0.73 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.52 3hx2 h GLU 104 N 0.91 0.68 -0.08 1.25 4.39 -1.14 -2.00 114.58 118.58 3hx2 h GLU 104 Ca 0.23 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3hx2 h GLU 104 Cb 0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3hx2 h GLU 104 CO -0.03 0.85 -0.05 0.87 -1.16 0.00 0.00 179.01 179.49 3hx2 h LYS 105 N 0.46 0.12 -0.10 2.33 1.57 -1.40 0.45 116.57 120.00 3hx2 h LYS 105 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3hx2 h LYS 105 Cb 0.61 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3hx2 h LYS 105 CO 0.04 0.18 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.85 3hx2 h LYS 106 N 0.12 0.19 0.03 3.15 3.64 -1.16 -0.60 116.57 121.93 3hx2 h LYS 106 Ca 0.03 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hx2 h LYS 106 Cb 0.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3hx2 h LYS 106 CO 0.01 0.52 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.63 3hx2 h LEU 107 N -0.14 -0.03 -0.19 5.20 3.38 -0.58 -1.57 115.31 121.38 3hx2 h LEU 107 Ca 0.02 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hx2 h LEU 107 Cb 0.45 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3hx2 h LEU 107 CO 0.01 -0.01 -0.32 -1.13 0.09 0.00 0.00 178.44 177.08 3hx2 h ASN 108 N -0.05 -1.01 -0.81 -0.43 -0.73 -0.06 0.51 115.58 113.00 3hx2 h ASN 108 Ca -0.00 0.15 0.08 0.00 1.87 0.00 0.00 56.30 58.40 3hx2 h ASN 108 Cb 0.04 0.44 -0.05 0.00 0.27 0.00 0.00 38.32 39.01 3hx2 h ASN 108 CO 0.01 -0.35 0.53 -0.61 -0.37 0.00 0.00 177.43 176.64 3hx2 h GLN 109 N -0.36 0.81 -0.42 6.67 5.75 -0.92 0.23 115.11 126.87 3hx2 h GLN 109 Ca 0.11 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3hx2 h GLN 109 Cb 0.54 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3hx2 h GLN 109 CO -0.39 0.54 -0.04 0.00 -2.65 0.00 0.00 178.83 176.29 3hx2 h ALA 110 N 1.57 1.14 -0.07 3.38 0.00 -0.06 0.03 119.26 125.26 3hx2 h ALA 110 Ca 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hx2 h ALA 110 Cb 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hx2 h ALA 110 CO -0.13 0.55 -0.04 -0.07 0.00 0.00 0.00 179.25 179.56 3hx2 h LEU 111 N 0.66 0.15 -1.00 0.00 3.38 0.12 -1.33 115.31 117.29 3hx2 h LEU 111 Ca 0.13 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.72 3hx2 h LEU 111 Cb 0.47 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3hx2 h LEU 111 CO 0.02 0.55 0.65 -0.07 0.09 0.00 0.00 178.44 179.68 3hx2 h LEU 112 N -0.25 1.05 -0.39 1.67 3.38 -0.42 0.37 115.31 120.73 3hx2 h LEU 112 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hx2 h LEU 112 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hx2 h LEU 112 CO 0.01 0.69 0.19 0.44 0.09 0.00 0.00 178.44 179.86 3hx2 h ASP 113 N 1.21 0.50 -0.71 -0.43 3.45 -0.88 -0.36 116.42 119.19 3hx2 h ASP 113 Ca 0.42 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.75 3hx2 h ASP 113 Cb 0.10 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 3hx2 h ASP 113 CO -0.15 0.48 0.42 0.25 -1.57 0.00 0.00 179.24 178.67 3hx2 h LEU 114 N 0.49 0.86 -0.42 1.55 5.85 -0.36 -0.53 115.31 122.74 3hx2 h LEU 114 Ca 0.13 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hx2 h LEU 114 Cb 0.11 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hx2 h LEU 114 CO -0.02 0.67 0.21 -0.74 -0.34 0.00 0.00 178.44 178.22 3hx2 h HIS 115 N 0.97 0.60 -0.71 1.25 2.76 -0.54 0.65 115.15 120.14 3hx2 h HIS 115 Ca 0.25 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3hx2 h HIS 115 Cb -0.02 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 3hx2 h HIS 115 CO -0.01 0.49 0.47 0.00 -1.30 0.00 0.00 177.93 177.58 3hx2 h ALA 116 N 1.05 1.52 -0.09 5.26 0.00 -0.65 0.01 119.26 126.37 3hx2 h ALA 116 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3hx2 h ALA 116 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hx2 h ALA 116 CO -0.02 0.43 -0.62 1.25 0.00 0.00 0.00 179.25 180.29 3hx2 h LEU 117 N 0.93 0.36 -0.71 0.00 5.85 -0.51 -2.32 115.31 118.91 3hx2 h LEU 117 Ca 0.27 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3hx2 h LEU 117 Cb -0.06 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3hx2 h LEU 117 CO -0.06 0.89 0.21 1.23 -0.34 0.00 0.00 178.44 180.36 3hx2 h GLY 118 N 1.38 1.21 1.10 3.75 0.00 0.90 -0.66 103.07 110.74 3hx2 h GLY 118 Ca -0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 47.33 46.43 3hx2 h GLY 118 CO 0.10 0.68 -0.46 1.76 0.00 0.00 0.00 176.54 178.62 3hx2 h SER 119 N 1.06 0.93 -0.36 0.19 0.02 -1.11 0.89 113.55 115.18 3hx2 h SER 119 Ca 0.23 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3hx2 h SER 119 Cb 0.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3hx2 h SER 119 CO -0.00 1.26 0.24 0.00 -1.14 0.00 0.00 176.83 177.19 3hx2 h ALA 120 N 0.70 1.75 -0.63 3.77 0.00 -1.13 -1.03 119.26 122.69 3hx2 h ALA 120 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hx2 h ALA 120 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hx2 h ALA 120 CO 0.11 0.23 0.00 0.54 0.00 0.00 0.00 179.25 180.13 3hx2 n ARG 121 N -4.48 2.51 -3.82 0.00 5.12 -0.28 -4.97 116.66 110.75 3hx2 n ARG 121 Ca 0.02 -2.35 -0.32 0.00 -1.93 0.00 0.00 57.85 53.28 3hx2 n ARG 121 Cb 0.06 -1.51 0.02 0.00 -1.16 0.00 0.00 32.46 29.87 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 1.42 -4.62 -3.85 0.55 -2.24 -0.39 -4.95 114.28 100.20 3hx2 n THR 122 Ca 0.22 -0.78 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 3hx2 n THR 122 Cb 0.56 -3.57 -0.12 0.00 -2.10 0.00 0.00 70.33 65.10 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 -3.74 4.84 0.36 3.42 -1.08 0.24 -4.96 116.67 115.76 3hx2 s ASP 123 Ca 0.34 -3.31 0.07 0.00 -0.52 0.00 0.00 52.55 49.13 3hx2 s ASP 123 Cb -0.13 -1.71 0.70 0.00 -1.46 0.00 0.00 42.92 40.31 3hx2 s ASP 123 CO 0.88 -0.21 1.89 1.55 0.52 0.00 0.00 175.17 179.81 3hx2 h PRO 124 N 6.23 0.35 -0.11 4.34 0.13 -1.93 -2.73 132.00 138.29 3hx2 h PRO 124 Ca 0.02 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3hx2 h PRO 124 Cb 0.85 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3hx2 h PRO 124 CO 0.72 0.45 0.04 1.25 -0.23 0.00 0.00 178.00 180.23 3hx2 h HIS 125 N 0.34 0.17 -0.70 1.56 2.76 -1.97 -0.62 115.15 116.69 3hx2 h HIS 125 Ca 0.07 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3hx2 h HIS 125 Cb 0.37 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 3hx2 h HIS 125 CO 0.01 0.30 0.46 1.25 -1.30 0.00 0.00 177.93 178.65 3hx2 h LEU 126 N -0.00 0.80 -0.95 0.26 5.85 -1.94 0.18 115.31 119.50 3hx2 h LEU 126 Ca 0.04 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3hx2 h LEU 126 Cb 0.21 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3hx2 h LEU 126 CO -0.00 0.59 0.47 0.00 -0.34 0.00 0.00 178.44 179.15 3hx2 h ASP 128 N 1.21 0.57 -0.81 0.00 3.58 -0.55 -2.19 116.42 118.23 3hx2 h ASP 128 Ca 0.30 -0.47 0.13 0.00 0.42 0.00 0.00 57.03 57.41 3hx2 h ASP 128 Cb 0.04 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 40.84 3hx2 h ASP 128 CO -0.05 0.93 0.41 0.15 -2.88 0.00 0.00 179.24 177.80 3hx2 h PHE 129 N 0.23 0.72 -0.25 0.28 3.04 -0.31 0.70 116.94 121.35 3hx2 h PHE 129 Ca 0.04 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.90 3hx2 h PHE 129 Cb 0.76 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 3hx2 h PHE 129 CO 0.08 0.20 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.21 3hx2 h LEU 130 N 0.62 0.69 -0.77 0.59 3.38 -1.27 -2.57 115.31 115.98 3hx2 h LEU 130 Ca 0.43 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3hx2 h LEU 130 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3hx2 h LEU 130 CO -0.33 1.04 -0.07 -0.33 0.09 0.00 0.00 178.44 178.84 3hx2 h GLU 131 N 0.35 0.86 0.23 1.13 5.08 -0.82 0.26 114.58 121.66 3hx2 h GLU 131 Ca 0.03 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3hx2 h GLU 131 Cb 0.87 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3hx2 h GLU 131 CO 0.07 0.90 -0.11 1.15 -1.00 0.00 0.00 179.01 180.02 3hx2 h THR 132 N 0.78 0.71 0.00 1.13 2.02 -0.89 -3.39 112.91 113.27 3hx2 h THR 132 Ca 0.14 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3hx2 h THR 132 Cb 0.57 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3hx2 h THR 132 CO 0.03 0.17 -1.17 1.41 0.37 0.00 0.00 175.52 176.33 3hx2 n HIS 133 N -5.00 0.00 0.00 3.16 8.25 -0.97 -4.86 115.22 115.81 3hx2 n HIS 133 Ca -0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.35 3hx2 n HIS 133 Cb 0.26 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.65 0.00 -0.01 4.41 3.72 -0.47 -4.67 117.46 118.79 3hx2 n PHE 134 Ca 0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.27 3hx2 n PHE 134 Cb 0.35 -0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.15 -1.65 -1.44 4.37 3.38 -1.21 -1.63 115.31 116.99 3hx2 h LEU 135 Ca -0.05 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3hx2 h LEU 135 Cb 0.61 0.64 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3hx2 h LEU 135 CO -0.03 -0.46 -0.23 -0.78 0.09 0.00 0.00 178.44 177.02 3hx2 h ASP 136 N -0.56 0.07 -0.65 -0.43 -0.00 -1.84 -2.12 116.42 110.89 3hx2 h ASP 136 Ca 0.03 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.01 3hx2 h ASP 136 Cb 0.65 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.93 3hx2 h ASP 136 CO -0.42 0.31 0.28 -0.33 -0.00 0.00 0.00 179.24 179.08 3hx2 h GLU 137 N 0.07 0.99 0.59 0.28 4.39 -1.69 -2.14 114.58 117.05 3hx2 h GLU 137 Ca 0.01 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3hx2 h GLU 137 Cb 0.45 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3hx2 h GLU 137 CO 0.03 0.80 -0.28 0.93 -1.16 0.00 0.00 179.01 179.33 3hx2 h GLU 138 N 0.97 -0.76 -0.80 2.33 4.39 -0.64 -2.25 114.58 117.82 3hx2 h GLU 138 Ca 0.23 0.05 0.19 0.00 0.34 0.00 0.00 59.36 60.17 3hx2 h GLU 138 Cb 0.17 0.17 -0.14 0.00 -0.10 0.00 0.00 28.75 28.86 3hx2 h GLU 138 CO -0.02 -0.45 0.07 0.28 -1.16 0.00 0.00 179.01 177.73 3hx2 h VAL 139 N -1.07 0.33 -0.58 3.13 2.07 -1.39 0.32 116.25 119.06 3hx2 h VAL 139 Ca -0.08 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3hx2 h VAL 139 Cb 0.66 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hx2 h VAL 139 CO 0.13 0.02 0.18 0.11 0.02 0.00 0.00 177.57 178.04 3hx2 h LYS 140 N 0.13 0.89 -0.08 1.57 1.57 -1.37 -0.62 116.57 118.67 3hx2 h LYS 140 Ca 0.45 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3hx2 h LYS 140 Cb 0.84 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3hx2 h LYS 140 CO -0.67 0.80 0.01 1.25 -0.57 0.00 0.00 179.45 180.27 3hx2 h LEU 141 N 0.81 0.12 -0.31 2.94 5.85 -0.21 -0.97 115.31 123.54 3hx2 h LEU 141 Ca 0.19 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3hx2 h LEU 141 Cb 0.28 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3hx2 h LEU 141 CO -0.01 0.35 0.04 0.40 -0.34 0.00 0.00 178.44 178.88 3hx2 h ILE 142 N -0.11 0.82 -0.66 4.05 2.04 -0.37 0.20 117.51 123.48 3hx2 h ILE 142 Ca 0.02 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3hx2 h ILE 142 Cb 0.28 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hx2 h ILE 142 CO 0.00 0.03 0.44 0.50 0.00 0.00 0.00 178.15 179.12 3hx2 h LYS 143 N 0.14 0.83 -0.44 2.37 1.63 -1.02 0.46 116.57 120.53 3hx2 h LYS 143 Ca 0.15 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.79 3hx2 h LYS 143 Cb 0.18 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3hx2 h LYS 143 CO -0.22 0.55 -0.16 -0.22 -3.45 0.00 0.00 179.45 175.95 3hx2 h LYS 144 N 0.86 0.89 -0.36 1.90 3.64 0.15 -1.39 116.57 122.26 3hx2 h LYS 144 Ca 0.25 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3hx2 h LYS 144 Cb -0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3hx2 h LYS 144 CO -0.06 1.02 0.07 0.52 -2.27 0.00 0.00 179.45 178.73 3hx2 h MET 145 N 0.73 0.59 -0.89 1.90 2.86 -0.29 -1.43 114.93 118.39 3hx2 h MET 145 Ca 0.11 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3hx2 h MET 145 Cb 0.72 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 3hx2 h MET 145 CO 0.05 0.65 0.57 0.78 1.06 0.00 0.00 176.91 180.02 3hx2 h GLY 146 N 0.44 1.32 1.21 8.32 0.00 -0.81 0.19 103.07 113.75 3hx2 h GLY 146 Ca 0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3hx2 h GLY 146 CO 0.00 0.32 0.21 -0.55 0.00 0.00 0.00 176.54 176.52 3hx2 h ASP 147 N 1.06 0.92 0.03 0.19 3.32 -0.98 -2.09 116.42 118.87 3hx2 h ASP 147 Ca 0.37 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3hx2 h ASP 147 Cb 0.10 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3hx2 h ASP 147 CO -0.15 0.86 -0.01 0.45 -1.72 0.00 0.00 179.24 178.67 3hx2 h HIS 148 N 0.96 -0.03 -0.62 4.55 3.86 0.10 -2.35 115.15 121.62 3hx2 h HIS 148 Ca 0.21 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.52 3hx2 h HIS 148 Cb 0.27 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.67 3hx2 h HIS 148 CO 0.02 0.13 0.23 -0.07 0.86 0.00 0.00 177.93 179.10 3hx2 h LEU 149 N -0.19 0.23 -1.59 2.43 3.38 -0.46 0.60 115.31 119.71 3hx2 h LEU 149 Ca -0.00 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3hx2 h LEU 149 Cb 0.17 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hx2 h LEU 149 CO 0.01 0.14 -0.22 0.74 0.09 0.00 0.00 178.44 179.19 3hx2 h THR 150 N 0.42 1.00 0.08 0.22 2.02 -1.26 -1.07 112.91 114.31 3hx2 h THR 150 Ca 0.31 -0.80 -0.27 0.00 0.77 0.00 0.00 66.41 66.43 3hx2 h THR 150 Cb 0.39 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3hx2 h THR 150 CO -0.31 0.22 -1.31 0.78 0.37 0.00 0.00 175.52 175.26 3hx2 h ASN 151 N 0.00 0.25 -0.10 4.18 2.35 -0.59 -2.78 115.58 118.89 3hx2 h ASN 151 Ca -0.00 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 3hx2 h ASN 151 Cb 0.43 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3hx2 h ASN 151 CO 0.03 1.25 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.94 3hx2 h LEU 152 N 0.04 0.21 -0.90 1.61 3.38 -0.62 -2.54 115.31 116.50 3hx2 h LEU 152 Ca -0.15 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.49 3hx2 h LEU 152 Cb 1.93 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.56 3hx2 h LEU 152 CO 0.16 0.57 0.56 -0.74 0.09 0.00 0.00 178.44 179.08 3hx2 h HIS 153 N -0.14 1.03 0.00 1.13 2.76 -1.31 -1.19 115.15 117.43 3hx2 h HIS 153 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3hx2 h HIS 153 Cb 0.49 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 3hx2 h HIS 153 CO 0.06 0.50 -0.07 -0.09 -1.30 0.00 0.00 177.93 177.03 3hx2 h ARG 154 N 0.99 0.00 -1.95 5.26 2.43 -1.38 -3.23 114.38 116.50 3hx2 h ARG 154 Ca 0.41 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.45 3hx2 h ARG 154 Cb 0.24 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 3hx2 h ARG 154 CO -0.19 0.07 -0.07 1.28 -1.51 0.00 0.00 179.97 179.55 3hx2 n LEU 155 N -3.25 5.49 0.00 3.80 4.77 -0.45 -5.09 117.00 122.27 3hx2 n LEU 155 Ca -0.00 -2.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 3hx2 n LEU 155 Cb 0.29 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3hx2 n LEU 155 CO 0.28 1.31 0.00 0.61 -1.33 0.00 0.00 177.39 178.26