#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 s SER 2 N 0.00 6.16 0.36 6.12 0.15 -1.26 -5.09 113.70 120.14 3hx2 s SER 2 Ca 0.00 0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.43 3hx2 s SER 2 Cb 0.00 -1.79 -0.10 0.00 -1.71 0.00 0.00 66.02 62.43 3hx2 s SER 2 CO 0.00 -0.01 1.27 -0.55 1.20 0.00 0.00 173.24 175.15 3hx2 s SER 3 N -3.62 6.66 0.00 5.45 0.15 -1.26 -4.91 113.70 116.17 3hx2 s SER 3 Ca 0.34 2.60 0.13 0.00 0.70 0.00 0.00 55.95 59.71 3hx2 s SER 3 Cb -0.10 -2.64 0.72 0.00 -1.71 0.00 0.00 66.02 62.30 3hx2 s SER 3 CO 0.28 -0.60 1.23 0.00 1.20 0.00 0.00 173.24 175.35 3hx2 n GLN 4 N 0.56 0.33 0.00 5.44 10.64 -1.26 -2.07 117.38 131.02 3hx2 n GLN 4 Ca 0.01 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 3hx2 n GLN 4 Cb 0.43 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 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 -1.09 0.46 -2.59 -0.39 -5.35 -1.26 -5.05 119.36 104.08 3hx2 n ILE 5 Ca 0.08 -0.54 -0.41 0.00 -0.27 0.00 0.00 62.75 61.61 3hx2 n ILE 5 Cb 0.06 0.87 -0.04 0.00 -1.74 0.00 0.00 39.64 38.79 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 -0.46 4.61 -0.28 6.28 3.52 -0.88 -4.61 118.95 127.13 3hx2 s ARG 6 Ca 0.00 1.61 -0.15 0.00 -0.13 0.00 0.00 55.73 57.06 3hx2 s ARG 6 Cb 0.00 -3.33 0.09 0.00 -1.56 0.00 0.00 34.95 30.15 3hx2 s ARG 6 CO 0.00 0.08 0.71 -1.14 -0.81 0.00 0.00 175.30 174.14 3hx2 s GLN 7 N 0.02 0.66 -0.60 5.12 0.74 -1.26 -4.91 119.66 119.43 3hx2 s GLN 7 Ca 0.50 1.20 0.00 0.00 0.05 0.00 0.00 55.36 57.10 3hx2 s GLN 7 Cb -0.27 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.05 3hx2 s GLN 7 CO 0.32 -0.15 0.00 -1.71 -0.55 0.00 0.00 175.29 173.20 3hx2 n ASN 8 N 4.38 -5.74 -4.38 6.67 5.15 -1.26 -4.93 115.26 115.16 3hx2 n ASN 8 Ca -0.19 0.14 -0.45 0.00 -0.60 0.00 0.00 54.58 53.48 3hx2 n ASN 8 Cb 0.58 -3.73 -0.07 0.00 -0.53 0.00 0.00 39.78 36.03 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 -1.52 3.23 0.63 1.20 5.04 -1.26 -4.74 117.35 119.93 3hx2 s TYR 9 Ca 0.00 -0.97 -0.16 0.00 -2.44 0.00 0.00 57.07 53.50 3hx2 s TYR 9 Cb 0.00 -3.31 -0.02 0.00 0.35 0.00 0.00 41.96 38.98 3hx2 s TYR 9 CO 0.00 -0.85 1.11 -1.54 -1.34 0.00 0.00 175.55 172.93 3hx2 s SER 10 N 2.80 5.29 0.26 4.32 1.04 -1.26 -4.94 113.70 121.21 3hx2 s SER 10 Ca 0.04 2.03 0.10 0.00 0.48 0.00 0.00 55.95 58.61 3hx2 s SER 10 Cb -0.25 -2.56 0.31 0.00 0.10 0.00 0.00 66.02 63.63 3hx2 s SER 10 CO 0.06 -1.51 1.59 0.71 0.98 0.00 0.00 173.24 175.07 3hx2 h THR 11 N 0.33 1.44 -0.59 2.02 1.35 -1.98 -1.94 112.91 113.54 3hx2 h THR 11 Ca -0.47 -2.22 -0.04 0.00 -0.55 0.00 0.00 66.41 63.13 3hx2 h THR 11 Cb 1.25 2.20 -0.03 0.00 -1.73 0.00 0.00 68.15 69.85 3hx2 h THR 11 CO 0.55 0.63 0.21 0.44 -0.25 0.00 0.00 175.52 177.10 3hx2 h ASP 12 N 0.00 0.84 -0.22 5.36 3.45 -1.99 -0.59 116.42 123.26 3hx2 h ASP 12 Ca -0.01 -0.19 -0.06 0.00 0.43 0.00 0.00 57.03 57.20 3hx2 h ASP 12 Cb 1.15 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 3hx2 h ASP 12 CO 0.08 0.80 -0.09 0.58 -1.57 0.00 0.00 179.24 179.04 3hx2 h VAL 13 N 0.83 1.30 -0.95 -1.35 2.07 -1.93 -0.99 116.25 115.23 3hx2 h VAL 13 Ca 0.19 -1.14 0.16 0.00 0.82 0.00 0.00 66.70 66.73 3hx2 h VAL 13 Cb 0.25 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 3hx2 h VAL 13 CO -0.01 0.35 0.60 -0.08 0.02 0.00 0.00 177.57 178.45 3hx2 h GLU 14 N 0.17 0.72 0.09 1.57 4.81 -1.08 0.51 114.58 121.37 3hx2 h GLU 14 Ca 0.05 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hx2 h GLU 14 Cb 0.58 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3hx2 h GLU 14 CO 0.03 0.48 -0.04 0.00 -0.73 0.00 0.00 179.01 178.74 3hx2 h ALA 15 N 1.60 -0.13 0.00 2.92 0.00 -0.93 -2.99 119.26 119.74 3hx2 h ALA 15 Ca 0.49 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hx2 h ALA 15 Cb 0.76 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hx2 h ALA 15 CO -0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 179.25 178.70 3hx2 h ALA 16 N 0.04 1.37 0.51 0.00 0.00 -0.52 -0.32 119.26 120.34 3hx2 h ALA 16 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hx2 h ALA 16 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hx2 h ALA 16 CO 0.02 0.03 -0.24 0.28 0.00 0.00 0.00 179.25 179.33 3hx2 h VAL 17 N 0.00 0.15 -0.95 0.00 2.07 -0.93 -0.41 116.25 116.18 3hx2 h VAL 17 Ca -0.00 -0.51 0.22 0.00 0.82 0.00 0.00 66.70 67.24 3hx2 h VAL 17 Cb 0.07 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 29.95 3hx2 h VAL 17 CO 0.00 0.03 0.51 0.78 0.02 0.00 0.00 177.57 178.91 3hx2 h ASN 18 N -1.12 0.54 -0.48 0.57 2.35 -1.26 0.33 115.58 116.51 3hx2 h ASN 18 Ca -0.07 0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3hx2 h ASN 18 Cb 0.57 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 3hx2 h ASN 18 CO 0.11 0.09 0.10 -1.28 -1.65 0.00 0.00 177.43 174.80 3hx2 h SER 19 N 0.53 0.73 -0.15 5.81 0.87 -1.03 -2.24 113.55 118.07 3hx2 h SER 19 Ca 0.59 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3hx2 h SER 19 Cb 1.09 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 3hx2 h SER 19 CO -0.48 0.79 -0.11 0.25 -0.53 0.00 0.00 176.83 176.75 3hx2 h LEU 20 N 0.65 0.48 -0.44 2.23 5.85 0.12 -1.54 115.31 122.67 3hx2 h LEU 20 Ca 0.15 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hx2 h LEU 20 Cb 0.35 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3hx2 h LEU 20 CO 0.00 0.63 0.27 0.58 -0.34 0.00 0.00 178.44 179.59 3hx2 h VAL 21 N 0.47 1.13 -0.45 1.05 2.07 -0.22 -0.16 116.25 120.14 3hx2 h VAL 21 Ca 0.09 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3hx2 h VAL 21 Cb 0.48 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3hx2 h VAL 21 CO 0.03 0.13 0.29 -1.13 0.02 0.00 0.00 177.57 176.91 3hx2 h ASN 22 N 0.58 0.52 -0.33 0.57 -0.73 -0.92 -0.58 115.58 114.69 3hx2 h ASN 22 Ca 0.16 -0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.33 3hx2 h ASN 22 Cb -0.02 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 3hx2 h ASN 22 CO -0.03 0.38 0.22 0.25 -0.37 0.00 0.00 177.43 177.88 3hx2 h LEU 23 N 0.61 0.30 -0.01 0.34 5.85 -0.68 -0.29 115.31 121.42 3hx2 h LEU 23 Ca 0.16 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 3hx2 h LEU 23 Cb -0.06 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hx2 h LEU 23 CO -0.03 0.21 -0.54 1.88 -0.34 0.00 0.00 178.44 179.61 3hx2 h TYR 24 N 0.35 0.57 -0.94 1.25 -1.99 -0.26 -1.56 116.97 114.40 3hx2 h TYR 24 Ca 0.13 -0.30 0.05 0.00 2.00 0.00 0.00 58.73 60.61 3hx2 h TYR 24 Cb 0.10 -0.07 -0.06 0.00 2.00 0.00 0.00 36.73 38.70 3hx2 h TYR 24 CO -0.00 1.11 0.60 -0.07 -0.00 0.00 0.00 178.16 179.80 3hx2 h LEU 25 N -0.13 0.98 -0.08 3.88 3.38 -0.69 0.13 115.31 122.77 3hx2 h LEU 25 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hx2 h LEU 25 Cb 1.25 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3hx2 h LEU 25 CO 0.11 0.65 0.03 -0.61 0.09 0.00 0.00 178.44 178.70 3hx2 h GLN 26 N 1.13 0.12 -0.43 1.13 4.15 -1.02 -1.19 115.11 119.00 3hx2 h GLN 26 Ca 0.39 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.78 3hx2 h GLN 26 Cb 0.09 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3hx2 h GLN 26 CO -0.15 0.25 0.24 0.00 -1.93 0.00 0.00 178.83 177.24 3hx2 h ALA 27 N 0.86 1.62 -0.26 3.38 0.00 -0.46 -1.32 119.26 123.08 3hx2 h ALA 27 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hx2 h ALA 27 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hx2 h ALA 27 CO -0.00 0.33 0.11 1.03 0.00 0.00 0.00 179.25 180.71 3hx2 h SER 28 N 0.59 0.35 -0.33 0.00 0.87 -0.22 -2.20 113.55 112.61 3hx2 h SER 28 Ca 0.15 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3hx2 h SER 28 Cb 0.01 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3hx2 h SER 28 CO -0.03 0.40 0.10 0.22 -0.53 0.00 0.00 176.83 177.00 3hx2 h TYR 29 N 0.27 0.19 -0.68 2.24 5.03 -0.41 0.17 116.97 123.78 3hx2 h TYR 29 Ca 0.09 0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.52 3hx2 h TYR 29 Cb 0.16 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.36 3hx2 h TYR 29 CO -0.01 0.07 0.45 1.15 -1.32 0.00 0.00 178.16 178.50 3hx2 h THR 30 N 0.24 0.90 0.03 1.81 2.02 -1.01 -0.71 112.91 116.18 3hx2 h THR 30 Ca 0.15 -0.18 -0.24 0.00 0.77 0.00 0.00 66.41 66.91 3hx2 h THR 30 Cb 0.13 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3hx2 h THR 30 CO -0.16 0.09 -1.01 1.88 0.37 0.00 0.00 175.52 176.69 3hx2 h TYR 31 N 0.51 0.65 -0.57 3.16 0.05 -0.62 -0.91 116.97 119.25 3hx2 h TYR 31 Ca 0.32 -0.37 0.03 0.00 0.05 0.00 0.00 58.73 58.75 3hx2 h TYR 31 Cb 0.55 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 3hx2 h TYR 31 CO -0.00 1.21 0.34 1.25 -1.05 0.00 0.00 178.16 179.91 3hx2 h LEU 32 N 0.22 0.54 0.76 3.88 5.85 0.37 0.29 115.31 127.23 3hx2 h LEU 32 Ca -0.10 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3hx2 h LEU 32 Cb 1.66 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.59 3hx2 h LEU 32 CO 0.18 0.38 -0.37 -1.28 -0.34 0.00 0.00 178.44 177.01 3hx2 h SER 33 N 0.66 -0.87 -1.06 1.25 0.87 -1.16 -1.78 113.55 111.47 3hx2 h SER 33 Ca 0.23 0.03 0.28 0.00 -1.23 0.00 0.00 61.79 61.10 3hx2 h SER 33 Cb 0.04 0.22 -0.11 0.00 -0.44 0.00 0.00 62.40 62.12 3hx2 h SER 33 CO -0.11 -0.54 0.67 -0.07 -0.53 0.00 0.00 176.83 176.24 3hx2 h LEU 34 N -1.17 0.47 0.82 2.23 3.38 -0.97 -0.32 115.31 119.74 3hx2 h LEU 34 Ca -0.10 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hx2 h LEU 34 Cb 0.78 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hx2 h LEU 34 CO 0.17 0.05 -0.39 1.23 0.09 0.00 0.00 178.44 179.59 3hx2 h GLY 35 N 0.40 -1.15 2.00 0.83 0.00 -0.10 -3.02 103.07 102.02 3hx2 h GLY 35 Ca 0.63 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 48.37 3hx2 h GLY 35 CO -0.36 -0.42 -0.06 0.74 0.00 0.00 0.00 176.54 176.44 3hx2 h PHE 36 N -1.16 0.00 -0.60 5.60 -1.00 -0.37 -2.78 116.94 116.63 3hx2 h PHE 36 Ca -0.11 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 3hx2 h PHE 36 Cb 0.85 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.38 3hx2 h PHE 36 CO -0.01 0.06 0.32 -0.92 -1.61 0.00 0.00 178.31 176.15 3hx2 h TYR 37 N 0.00 0.84 0.00 -0.55 3.20 -0.99 -1.83 116.97 117.65 3hx2 h TYR 37 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3hx2 h TYR 37 Cb 0.45 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3hx2 h TYR 37 CO 0.00 0.62 0.00 1.19 -1.64 0.00 0.00 178.16 178.33 3hx2 n PHE 38 N -4.55 0.00 1.52 -3.82 3.72 -1.05 -2.01 117.46 111.26 3hx2 n PHE 38 Ca 0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.58 3hx2 n PHE 38 Cb 0.10 -0.47 0.56 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.47 1.22 -4.73 4.37 4.64 -0.70 -1.50 116.55 118.38 3hx2 n ASP 39 Ca 0.07 -1.32 -0.42 0.00 -1.38 0.00 0.00 54.79 51.74 3hx2 n ASP 39 Cb 0.27 0.01 -0.03 0.00 -1.04 0.00 0.00 41.12 40.34 3hx2 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx2 s ARG 40 N -2.08 4.33 0.63 -0.67 0.52 -0.85 -4.74 118.95 116.09 3hx2 s ARG 40 Ca 0.37 2.12 0.29 0.00 -0.52 0.00 0.00 55.73 57.99 3hx2 s ARG 40 Cb 0.21 -3.20 1.54 0.00 0.52 0.00 0.00 34.95 34.03 3hx2 s ARG 40 CO 0.37 -0.37 1.90 0.38 0.02 0.00 0.00 175.30 177.61 3hx2 h ASP 41 N 5.91 0.00 0.06 0.23 2.03 -1.90 0.86 116.42 123.61 3hx2 h ASP 41 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3hx2 h ASP 41 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3hx2 h ASP 41 CO 0.81 0.00 -0.19 -0.90 -1.03 0.00 0.00 179.24 177.94 3hx2 n ASP 42 N -3.24 1.77 -0.02 4.15 3.85 -1.26 -4.29 116.55 117.51 3hx2 n ASP 42 Ca 0.02 -1.42 -0.06 0.00 -0.71 0.00 0.00 54.79 52.62 3hx2 n ASP 42 Cb 0.50 0.15 -0.02 0.00 -1.35 0.00 0.00 41.12 40.39 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 0.11 0.91 -3.60 2.12 0.31 0.73 -5.08 118.33 113.82 3hx2 n VAL 43 Ca 0.14 0.10 -0.19 0.00 -0.01 0.00 0.00 64.34 64.38 3hx2 n VAL 43 Cb 0.43 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 -3.61 -2.71 -3.37 3.52 0.00 0.26 -4.98 120.51 109.63 3hx2 n ALA 44 Ca -0.11 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 3hx2 n ALA 44 Cb 0.39 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.57 1.19 -0.26 0.00 4.77 -0.57 -4.98 117.00 114.58 3hx2 n LEU 45 Ca -0.22 -4.86 0.12 0.00 -0.03 0.00 0.00 56.01 51.03 3hx2 n LEU 45 Cb 0.63 0.16 0.39 0.00 -2.33 0.00 0.00 43.42 42.27 3hx2 n LEU 45 CO 0.61 1.99 1.22 -0.08 -1.33 0.00 0.00 177.39 179.80 3hx2 h GLU 46 N 4.56 0.66 0.34 3.23 4.81 -1.94 0.24 114.58 126.46 3hx2 h GLU 46 Ca 0.15 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hx2 h GLU 46 Cb 0.82 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3hx2 h GLU 46 CO 0.56 0.43 -0.32 0.78 -0.73 0.00 0.00 179.01 179.73 3hx2 h GLY 47 N 0.68 -0.75 1.02 1.92 0.00 -1.94 0.30 103.07 104.30 3hx2 h GLY 47 Ca 0.44 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 48.12 3hx2 h GLY 47 CO -0.20 -0.28 0.43 -2.08 0.00 0.00 0.00 176.54 174.42 3hx2 h VAL 48 N -0.68 1.25 -0.02 4.60 2.07 -1.75 -1.34 116.25 120.37 3hx2 h VAL 48 Ca -0.02 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3hx2 h VAL 48 Cb 0.61 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hx2 h VAL 48 CO -0.05 0.28 -0.07 -1.28 0.02 0.00 0.00 177.57 176.48 3hx2 h SER 49 N 1.16 -0.20 -0.81 0.57 0.87 -0.07 -2.06 113.55 113.01 3hx2 h SER 49 Ca 0.29 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.93 3hx2 h SER 49 Cb 0.06 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 3hx2 h SER 49 CO -0.04 -0.10 0.51 -0.74 -0.53 0.00 0.00 176.83 175.92 3hx2 h HIS 50 N -0.11 0.94 0.10 2.24 6.17 -0.14 -1.12 115.15 123.24 3hx2 h HIS 50 Ca 0.04 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.16 3hx2 h HIS 50 Cb 0.16 -0.31 -0.05 0.00 2.52 0.00 0.00 27.41 29.73 3hx2 h HIS 50 CO -0.15 0.51 -0.49 0.35 0.71 0.00 0.00 177.93 178.86 3hx2 h PHE 51 N 0.96 -1.42 0.00 5.26 3.57 -0.58 -0.56 116.94 124.17 3hx2 h PHE 51 Ca 0.34 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.81 3hx2 h PHE 51 Cb 0.09 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3hx2 h PHE 51 CO -0.03 -0.57 -0.33 0.74 -2.23 0.00 0.00 178.31 175.88 3hx2 h PHE 52 N -0.71 0.00 -0.03 0.41 -1.00 -1.12 -1.92 116.94 112.58 3hx2 h PHE 52 Ca 0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 3hx2 h PHE 52 Cb 0.73 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 3hx2 h PHE 52 CO -0.43 0.33 -0.44 0.00 -1.61 0.00 0.00 178.31 176.16 3hx2 h ARG 53 N 0.00 0.06 -0.08 1.51 3.08 -0.54 -0.76 114.38 117.65 3hx2 h ARG 53 Ca -0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3hx2 h ARG 53 Cb 0.64 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3hx2 h ARG 53 CO 0.04 0.49 -0.25 0.93 -1.07 0.00 0.00 179.97 180.11 3hx2 h GLU 54 N 0.05 0.32 -0.45 0.04 5.08 -0.57 -2.96 114.58 116.09 3hx2 h GLU 54 Ca 0.00 -0.23 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3hx2 h GLU 54 Cb 0.80 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 3hx2 h GLU 54 CO 0.06 0.85 0.31 -0.07 -1.00 0.00 0.00 179.01 179.16 3hx2 h LEU 55 N -0.16 0.24 -0.59 1.33 3.38 -1.09 0.95 115.31 119.36 3hx2 h LEU 55 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3hx2 h LEU 55 Cb 0.88 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3hx2 h LEU 55 CO 0.05 0.15 0.13 0.00 0.09 0.00 0.00 178.44 178.86 3hx2 h ALA 56 N 1.77 0.78 0.00 1.53 0.00 -1.04 -1.98 119.26 120.32 3hx2 h ALA 56 Ca 0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3hx2 h ALA 56 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hx2 h ALA 56 CO -0.04 0.51 -0.37 1.49 0.00 0.00 0.00 179.25 180.84 3hx2 h GLU 57 N 0.87 0.00 -0.04 0.00 4.57 -0.71 -2.47 114.58 116.80 3hx2 h GLU 57 Ca 0.18 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3hx2 h GLU 57 Cb 0.38 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3hx2 h GLU 57 CO 0.01 0.37 -0.03 0.93 -1.18 0.00 0.00 179.01 179.11 3hx2 h GLU 58 N 0.00 0.08 -0.51 1.92 5.08 -0.69 -2.20 114.58 118.26 3hx2 h GLU 58 Ca -0.00 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3hx2 h GLU 58 Cb 0.87 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 3hx2 h GLU 58 CO 0.05 0.51 0.35 0.87 -1.00 0.00 0.00 179.01 179.79 3hx2 h LYS 59 N -0.34 0.24 -0.13 2.33 1.79 -1.23 0.23 116.57 119.46 3hx2 h LYS 59 Ca 0.01 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3hx2 h LYS 59 Cb 0.49 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3hx2 h LYS 59 CO 0.01 0.16 -0.02 -0.09 -1.08 0.00 0.00 179.45 178.43 3hx2 h ARG 60 N 0.25 0.25 -0.46 3.15 2.43 -1.25 -1.32 114.38 117.42 3hx2 h ARG 60 Ca 0.24 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3hx2 h ARG 60 Cb 0.61 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3hx2 h ARG 60 CO -0.05 0.52 0.22 0.93 -1.51 0.00 0.00 179.97 180.08 3hx2 h GLU 61 N -0.05 0.65 0.41 0.20 5.08 -0.51 0.48 114.58 120.84 3hx2 h GLU 61 Ca 0.03 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3hx2 h GLU 61 Cb 0.42 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hx2 h GLU 61 CO 0.01 0.51 -0.21 0.78 -1.00 0.00 0.00 179.01 179.10 3hx2 h GLY 62 N 0.77 -0.59 2.00 -3.84 0.00 -0.66 0.20 103.07 100.95 3hx2 h GLY 62 Ca 0.16 0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 3hx2 h GLY 62 CO -0.02 -0.22 -0.31 0.10 0.00 0.00 0.00 176.54 176.09 3hx2 h TYR 63 N -0.57 0.00 -0.15 5.60 -0.00 -0.94 -1.46 116.97 119.45 3hx2 h TYR 63 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.52 3hx2 h TYR 63 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.16 3hx2 h TYR 63 CO -0.06 0.31 -0.57 0.93 -0.00 0.00 0.00 178.16 178.78 3hx2 h GLU 64 N 0.00 0.46 -0.27 0.10 5.08 -0.65 -2.09 114.58 117.21 3hx2 h GLU 64 Ca -0.00 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 57.97 3hx2 h GLU 64 Cb 0.86 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3hx2 h GLU 64 CO 0.04 0.90 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.67 3hx2 h ARG 65 N 0.35 0.60 -0.29 2.33 2.43 -0.11 -2.18 114.38 117.52 3hx2 h ARG 65 Ca 0.00 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3hx2 h ARG 65 Cb 1.10 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3hx2 h ARG 65 CO 0.10 0.88 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.35 3hx2 h LEU 66 N 0.33 0.42 -0.05 3.80 3.38 -1.21 -1.51 115.31 120.46 3hx2 h LEU 66 Ca 0.05 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.69 3hx2 h LEU 66 Cb 0.73 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hx2 h LEU 66 CO 0.05 0.50 -1.00 -0.07 0.09 0.00 0.00 178.44 178.01 3hx2 h LEU 67 N 0.43 0.85 -0.99 1.67 3.38 -1.33 -1.74 115.31 117.58 3hx2 h LEU 67 Ca 0.09 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 3hx2 h LEU 67 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3hx2 h LEU 67 CO 0.01 1.46 0.46 0.50 0.09 0.00 0.00 178.44 180.97 3hx2 h LYS 68 N 0.38 1.17 -0.26 1.13 1.63 -1.17 -1.94 116.57 117.52 3hx2 h LYS 68 Ca -0.11 -0.13 -0.09 0.00 -0.85 0.00 0.00 60.65 59.47 3hx2 h LYS 68 Cb 1.65 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 33.04 3hx2 h LYS 68 CO 0.19 0.86 -0.18 1.98 -3.45 0.00 0.00 179.45 178.85 3hx2 h MET 69 N 1.18 0.58 -0.61 1.90 4.05 -1.26 -2.70 114.93 118.07 3hx2 h MET 69 Ca 0.30 -0.28 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 3hx2 h MET 69 Cb 0.02 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.75 3hx2 h MET 69 CO -0.05 0.86 0.24 0.37 0.23 0.00 0.00 176.91 178.56 3hx2 h GLN 70 N 0.30 0.41 0.00 0.39 5.75 -0.92 -1.04 115.11 120.01 3hx2 h GLN 70 Ca 0.05 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3hx2 h GLN 70 Cb 0.71 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 3hx2 h GLN 70 CO 0.05 0.27 -0.33 -0.91 -2.65 0.00 0.00 178.83 175.26 3hx2 h ASN 71 N 0.42 0.00 -0.06 -0.69 4.21 -1.32 -0.44 115.58 117.71 3hx2 h ASN 71 Ca 0.31 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.76 3hx2 h ASN 71 Cb 0.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 3hx2 h ASN 71 CO -0.30 0.33 -0.20 1.56 -1.29 0.00 0.00 177.43 177.53 3hx2 h GLN 72 N 0.00 0.24 0.00 0.81 4.20 -0.94 -3.14 115.11 116.29 3hx2 h GLN 72 Ca -0.00 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3hx2 h GLN 72 Cb 0.81 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3hx2 h GLN 72 CO 0.04 0.81 0.00 0.54 -0.67 0.00 0.00 178.83 179.55 3hx2 n ARG 73 N -4.55 0.64 -0.07 1.46 5.12 -0.50 -4.83 116.66 113.92 3hx2 n ARG 73 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3hx2 n ARG 73 Cb 0.43 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 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 0.18 2.11 3.48 -0.13 0.00 -1.18 -4.40 105.19 105.26 3hx2 n GLY 74 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.98 1.51 -0.06 -0.02 0.00 -0.18 -4.58 107.32 102.01 3hx2 s GLY 75 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.20 3hx2 s GLY 75 CO 0.00 0.28 -0.15 0.50 0.00 0.00 0.00 173.10 173.73 3hx2 s ARG 76 N -4.91 1.84 0.10 2.90 1.81 -1.26 -4.36 118.95 115.07 3hx2 s ARG 76 Ca 0.68 -0.54 -0.30 0.00 -1.72 0.00 0.00 55.73 53.85 3hx2 s ARG 76 Cb -0.18 -1.53 -0.07 0.00 -0.45 0.00 0.00 34.95 32.73 3hx2 s ARG 76 CO 0.60 0.13 1.21 0.00 -0.68 0.00 0.00 175.30 176.57 3hx2 s ALA 77 N 0.35 3.42 -0.17 2.13 0.00 -1.26 -4.94 121.76 121.29 3hx2 s ALA 77 Ca -0.10 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3hx2 s ALA 77 Cb -0.14 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.59 3hx2 s ALA 77 CO 0.04 -0.43 -0.01 -0.51 0.00 0.00 0.00 175.76 174.85 3hx2 s LEU 78 N 0.69 1.42 0.01 0.00 1.43 -1.26 -5.14 118.68 115.83 3hx2 s LEU 78 Ca 0.57 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3hx2 s LEU 78 Cb -0.31 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 3hx2 s LEU 78 CO 0.31 -0.23 0.25 -0.36 0.23 0.00 0.00 176.35 176.55 3hx2 s PHE 79 N 1.74 3.57 0.40 0.29 0.08 -1.26 -4.83 117.98 117.96 3hx2 s PHE 79 Ca 0.00 0.53 0.04 0.00 0.12 0.00 0.00 56.93 57.61 3hx2 s PHE 79 Cb -0.16 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3hx2 s PHE 79 CO -0.07 0.62 0.07 -0.65 -0.10 0.00 0.00 175.22 175.08 3hx2 s GLN 80 N -1.82 1.88 0.35 0.44 -1.52 -1.26 -5.12 119.66 112.61 3hx2 s GLN 80 Ca 0.28 -2.11 -0.28 0.00 -1.95 0.00 0.00 55.36 51.30 3hx2 s GLN 80 Cb -0.13 -0.99 -0.10 0.00 -0.22 0.00 0.00 33.01 31.57 3hx2 s GLN 80 CO 0.17 -0.30 1.32 -0.51 -0.25 0.00 0.00 175.29 175.72 3hx2 s ASP 81 N -3.62 6.66 -0.50 5.90 -0.00 -1.26 -4.97 116.67 118.88 3hx2 s ASP 81 Ca 0.27 2.71 -0.19 0.00 -0.00 0.00 0.00 52.55 55.34 3hx2 s ASP 81 Cb 0.06 -2.65 0.06 0.00 -0.00 0.00 0.00 42.92 40.38 3hx2 s ASP 81 CO 0.13 -0.62 0.60 -0.63 -0.00 0.00 0.00 175.17 174.66 3hx2 s ILE 82 N -1.16 4.90 0.46 0.77 1.01 -1.26 -5.04 121.20 120.88 3hx2 s ILE 82 Ca 0.51 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 60.43 3hx2 s ILE 82 Cb -0.40 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.72 3hx2 s ILE 82 CO 0.53 -0.76 1.26 0.29 0.00 0.00 0.00 174.94 176.25 3hx2 n LYS 83 N 6.09 1.79 -1.76 2.79 5.02 -1.26 -4.97 118.16 125.86 3hx2 n LYS 83 Ca -0.07 0.64 -0.32 0.00 -2.02 0.00 0.00 58.31 56.55 3hx2 n LYS 83 Cb 0.45 -2.40 0.04 0.00 -0.02 0.00 0.00 35.03 33.10 3hx2 n LYS 83 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3hx2 s LYS 84 N -2.38 2.95 0.54 1.97 -2.85 -1.26 -4.88 119.74 113.84 3hx2 s LYS 84 Ca 0.64 1.20 -0.20 0.00 -1.00 0.00 0.00 55.97 56.61 3hx2 s LYS 84 Cb -0.48 -1.98 -0.07 0.00 -2.06 0.00 0.00 37.83 33.24 3hx2 s LYS 84 CO 0.55 -1.10 1.00 -2.30 0.10 0.00 0.00 175.35 173.60 3hx2 n PRO 85 N -2.57 1.10 0.21 1.78 -0.02 -1.26 -4.90 135.00 129.34 3hx2 n PRO 85 Ca 0.09 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 62.13 3hx2 n PRO 85 Cb 0.53 -2.15 0.74 0.00 -0.02 0.00 0.00 33.50 32.59 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 0.87 1.00 -2.34 3.55 0.00 -1.97 -3.44 119.26 116.94 3hx2 h ALA 86 Ca -0.48 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 3hx2 h ALA 86 Cb 1.35 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.99 3hx2 h ALA 86 CO 0.53 0.00 -0.62 -1.21 0.00 0.00 0.00 179.25 177.95 3hx2 s GLU 87 N -3.67 0.63 -0.13 0.00 0.41 -1.26 -5.04 118.70 109.64 3hx2 s GLU 87 Ca -0.02 -1.12 0.16 0.00 -0.41 0.00 0.00 54.97 53.58 3hx2 s GLU 87 Cb 0.09 0.23 -0.22 0.00 -1.78 0.00 0.00 34.13 32.44 3hx2 s GLU 87 CO 0.32 -0.14 0.13 -0.25 -0.49 0.00 0.00 175.26 174.83 3hx2 n ASP 88 N 0.18 0.86 -4.11 -0.19 8.00 -1.26 -4.90 116.55 115.13 3hx2 n ASP 88 Ca -0.15 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.10 3hx2 n ASP 88 Cb 0.61 1.12 -0.16 0.00 -0.02 0.00 0.00 41.12 42.67 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 -2.60 1.75 -0.04 -1.24 2.02 -1.26 -4.98 118.70 112.35 3hx2 s GLU 89 Ca -0.08 -0.56 0.20 0.00 0.02 0.00 0.00 54.97 54.54 3hx2 s GLU 89 Cb 0.06 -1.50 0.63 0.00 0.10 0.00 0.00 34.13 33.43 3hx2 s GLU 89 CO 0.70 0.20 1.54 0.91 0.02 0.00 0.00 175.26 178.63 3hx2 n TRP 90 N 3.27 1.10 -2.88 1.61 7.02 -1.26 -5.07 117.44 121.22 3hx2 n TRP 90 Ca -0.19 -0.55 0.00 0.00 -1.02 0.00 0.00 57.50 55.74 3hx2 n TRP 90 Cb 0.53 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 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 1.28 1.81 3.96 6.99 0.00 -1.26 -3.78 105.19 114.20 3hx2 n GLY 91 Ca 0.23 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 3.39 0.28 1.61 1.02 -1.26 -4.95 119.74 119.83 3hx2 s LYS 92 Ca 0.00 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.27 3hx2 s LYS 92 Cb 0.00 -2.81 0.56 0.00 -0.52 0.00 0.00 37.83 35.06 3hx2 s LYS 92 CO 0.00 0.27 1.57 1.15 -0.92 0.00 0.00 175.35 177.43 3hx2 h THR 93 N 0.99 0.06 -0.73 2.17 2.02 -2.00 -0.20 112.91 115.22 3hx2 h THR 93 Ca -0.50 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3hx2 h THR 93 Cb 1.23 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3hx2 h THR 93 CO 0.60 0.00 0.43 -0.65 0.37 0.00 0.00 175.52 176.27 3hx2 h PRO 94 N 0.01 0.99 -0.41 6.66 0.11 -1.95 0.18 132.00 137.59 3hx2 h PRO 94 Ca 0.51 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 66.46 3hx2 h PRO 94 Cb 0.91 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3hx2 h PRO 94 CO -0.93 0.70 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.09 3hx2 h ASP 95 N 1.01 0.73 -0.35 -2.05 5.19 -1.33 -0.92 116.42 118.69 3hx2 h ASP 95 Ca 0.26 -0.32 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 3hx2 h ASP 95 Cb -0.02 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 3hx2 h ASP 95 CO -0.05 0.88 0.03 0.00 -3.12 0.00 0.00 179.24 176.98 3hx2 h ALA 96 N 0.88 0.47 -0.70 3.45 0.00 -1.15 -1.55 119.26 120.66 3hx2 h ALA 96 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hx2 h ALA 96 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hx2 h ALA 96 CO 0.03 0.21 0.43 1.98 0.00 0.00 0.00 179.25 181.90 3hx2 h MET 97 N 0.43 0.94 -0.97 0.00 -1.53 -0.86 -0.55 114.93 112.39 3hx2 h MET 97 Ca 0.10 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.29 3hx2 h MET 97 Cb 0.41 -0.20 -0.05 0.00 -0.55 0.00 0.00 31.60 31.21 3hx2 h MET 97 CO 0.01 0.66 0.62 0.87 0.14 0.00 0.00 176.91 179.21 3hx2 h LYS 98 N 0.95 1.29 -0.61 0.39 1.57 -0.97 -0.39 116.57 118.80 3hx2 h LYS 98 Ca 0.25 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3hx2 h LYS 98 Cb -0.05 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 31.95 3hx2 h LYS 98 CO -0.05 0.87 0.03 0.00 -0.57 0.00 0.00 179.45 179.73 3hx2 h ALA 99 N 1.37 0.91 -0.46 3.86 0.00 -0.48 -1.73 119.26 122.72 3hx2 h ALA 99 Ca 0.35 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3hx2 h ALA 99 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3hx2 h ALA 99 CO -0.07 0.66 -0.25 0.00 0.00 0.00 0.00 179.25 179.58 3hx2 h ALA 100 N 1.07 0.68 -0.14 0.00 0.00 -0.39 -0.14 119.26 120.33 3hx2 h ALA 100 Ca 0.18 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hx2 h ALA 100 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hx2 h ALA 100 CO 0.02 0.68 0.04 1.98 0.00 0.00 0.00 179.25 181.97 3hx2 h MET 101 N 0.83 0.11 -0.81 0.00 -1.53 -0.92 -1.11 114.93 111.50 3hx2 h MET 101 Ca 0.10 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.35 3hx2 h MET 101 Cb 0.83 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.82 3hx2 h MET 101 CO 0.07 0.07 0.48 0.00 0.14 0.00 0.00 176.91 177.68 3hx2 h ALA 102 N 1.09 1.33 -0.25 0.39 0.00 -1.13 0.82 119.26 121.51 3hx2 h ALA 102 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hx2 h ALA 102 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hx2 h ALA 102 CO -0.07 0.58 -0.15 1.25 0.00 0.00 0.00 179.25 180.86 3hx2 h LEU 103 N 1.12 0.40 0.03 0.00 5.85 -0.53 -2.10 115.31 120.09 3hx2 h LEU 103 Ca 0.29 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.71 3hx2 h LEU 103 Cb -0.04 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hx2 h LEU 103 CO -0.05 0.58 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.52 3hx2 h GLU 104 N 0.39 0.47 -0.32 1.25 4.39 -0.27 -1.95 114.58 118.53 3hx2 h GLU 104 Ca 0.07 -0.55 0.04 0.00 0.34 0.00 0.00 59.36 59.26 3hx2 h GLU 104 Cb 0.49 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3hx2 h GLU 104 CO 0.03 1.19 0.22 0.87 -1.16 0.00 0.00 179.01 180.16 3hx2 h LYS 105 N -0.02 0.27 -0.07 2.33 1.57 -0.75 0.82 116.57 120.71 3hx2 h LYS 105 Ca -0.11 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 3hx2 h LYS 105 Cb 1.49 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.74 3hx2 h LYS 105 CO 0.15 0.18 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.60 3hx2 h LYS 106 N 0.27 0.39 -0.64 3.15 3.64 -1.38 -1.49 116.57 120.51 3hx2 h LYS 106 Ca 0.14 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 3hx2 h LYS 106 Cb 0.20 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3hx2 h LYS 106 CO -0.03 0.97 0.17 -0.07 -2.27 0.00 0.00 179.45 178.22 3hx2 h LEU 107 N -0.08 0.96 -0.05 5.20 3.38 -0.36 -0.39 115.31 123.98 3hx2 h LEU 107 Ca -0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hx2 h LEU 107 Cb 1.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hx2 h LEU 107 CO 0.08 0.94 0.02 -1.13 0.09 0.00 0.00 178.44 178.44 3hx2 h ASN 108 N 0.94 0.07 -0.22 -0.43 -1.24 0.56 -0.83 115.58 114.44 3hx2 h ASN 108 Ca 0.20 -0.19 0.01 0.00 0.71 0.00 0.00 56.30 57.03 3hx2 h ASN 108 Cb 0.34 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 3hx2 h ASN 108 CO -0.00 0.24 0.15 -0.61 -1.29 0.00 0.00 177.43 175.91 3hx2 h GLN 109 N -0.10 0.27 -0.43 6.67 5.75 -1.09 0.13 115.11 126.31 3hx2 h GLN 109 Ca 0.02 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 3hx2 h GLN 109 Cb 0.19 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3hx2 h GLN 109 CO -0.00 0.18 -0.27 0.00 -2.65 0.00 0.00 178.83 176.08 3hx2 h ALA 110 N 1.87 0.71 -0.12 3.38 0.00 -0.57 -2.29 119.26 122.24 3hx2 h ALA 110 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3hx2 h ALA 110 Cb -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hx2 h ALA 110 CO -0.02 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 179.82 3hx2 h LEU 111 N 0.78 0.21 -0.74 0.00 3.38 0.35 -2.13 115.31 117.16 3hx2 h LEU 111 Ca 0.09 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3hx2 h LEU 111 Cb 0.84 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3hx2 h LEU 111 CO 0.07 0.48 0.41 -0.07 0.09 0.00 0.00 178.44 179.42 3hx2 h LEU 112 N -0.08 0.59 -0.81 1.67 3.38 -0.82 -0.85 115.31 118.40 3hx2 h LEU 112 Ca 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hx2 h LEU 112 Cb 0.38 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3hx2 h LEU 112 CO 0.01 0.36 0.45 0.44 0.09 0.00 0.00 178.44 179.79 3hx2 h ASP 113 N 0.72 1.01 0.09 -0.43 3.45 -1.28 0.13 116.42 120.11 3hx2 h ASP 113 Ca 0.34 -0.09 -0.09 0.00 0.43 0.00 0.00 57.03 57.62 3hx2 h ASP 113 Cb 0.27 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3hx2 h ASP 113 CO -0.22 0.81 -0.30 0.25 -1.57 0.00 0.00 179.24 178.20 3hx2 h LEU 114 N 1.12 0.33 -0.03 1.55 5.85 -0.67 -0.92 115.31 122.53 3hx2 h LEU 114 Ca 0.29 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3hx2 h LEU 114 Cb 0.02 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3hx2 h LEU 114 CO -0.05 0.62 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.93 3hx2 h HIS 115 N 0.28 0.07 -0.68 1.25 2.76 -0.25 -0.08 115.15 118.50 3hx2 h HIS 115 Ca 0.04 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.27 3hx2 h HIS 115 Cb 0.68 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 3hx2 h HIS 115 CO 0.02 0.41 0.45 0.00 -1.30 0.00 0.00 177.93 177.51 3hx2 h ALA 116 N 0.65 1.80 -0.34 5.26 0.00 -0.56 -0.04 119.26 126.03 3hx2 h ALA 116 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3hx2 h ALA 116 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hx2 h ALA 116 CO 0.00 0.07 -0.27 1.25 0.00 0.00 0.00 179.25 180.30 3hx2 h LEU 117 N 0.64 0.83 -1.20 0.00 5.85 -0.82 -2.62 115.31 117.99 3hx2 h LEU 117 Ca 0.30 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.60 3hx2 h LEU 117 Cb 0.36 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3hx2 h LEU 117 CO -0.10 1.10 0.55 1.23 -0.34 0.00 0.00 178.44 180.88 3hx2 h GLY 118 N 0.56 1.17 0.85 3.75 0.00 0.76 -0.69 103.07 109.47 3hx2 h GLY 118 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3hx2 h GLY 118 CO 0.07 0.38 -0.27 1.76 0.00 0.00 0.00 176.54 178.48 3hx2 h SER 119 N 1.06 -0.64 -0.86 0.19 0.02 -1.04 0.20 113.55 112.47 3hx2 h SER 119 Ca 0.32 -0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.40 3hx2 h SER 119 Cb -0.03 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 3hx2 h SER 119 CO -0.09 -0.35 0.56 0.00 -1.14 0.00 0.00 176.83 175.82 3hx2 h ALA 120 N -0.58 2.00 -0.25 3.77 0.00 -1.16 0.36 119.26 123.40 3hx2 h ALA 120 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hx2 h ALA 120 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hx2 h ALA 120 CO 0.13 -0.25 0.00 0.54 0.00 0.00 0.00 179.25 179.67 3hx2 n ARG 121 N -4.53 1.89 -3.78 0.00 5.12 -0.29 -4.95 116.66 110.11 3hx2 n ARG 121 Ca 0.17 -1.35 -0.27 0.00 -1.93 0.00 0.00 57.85 54.48 3hx2 n ARG 121 Cb 0.55 -1.39 0.02 0.00 -1.16 0.00 0.00 32.46 30.48 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 0.57 -4.65 -3.71 0.55 -2.24 0.13 -4.93 114.28 100.00 3hx2 n THR 122 Ca 0.16 -0.72 -0.37 0.00 -2.27 0.00 0.00 64.05 60.85 3hx2 n THR 122 Cb 0.37 -3.67 -0.09 0.00 -2.10 0.00 0.00 70.33 64.84 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 -3.96 5.26 0.33 3.42 -1.08 0.57 -4.93 116.67 116.28 3hx2 s ASP 123 Ca 0.22 -2.90 0.06 0.00 -0.52 0.00 0.00 52.55 49.41 3hx2 s ASP 123 Cb -0.08 -1.86 0.58 0.00 -1.46 0.00 0.00 42.92 40.11 3hx2 s ASP 123 CO 0.86 -0.36 1.81 1.55 0.52 0.00 0.00 175.17 179.55 3hx2 h PRO 124 N 6.98 0.35 0.07 4.34 0.13 -1.93 -2.73 132.00 139.21 3hx2 h PRO 124 Ca -0.01 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3hx2 h PRO 124 Cb 0.95 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3hx2 h PRO 124 CO 0.71 0.54 -0.03 1.25 -0.23 0.00 0.00 178.00 180.24 3hx2 h HIS 125 N 0.32 -0.09 -0.13 1.56 2.76 -1.97 -1.06 115.15 116.54 3hx2 h HIS 125 Ca 0.06 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3hx2 h HIS 125 Cb 0.54 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.48 3hx2 h HIS 125 CO 0.01 0.05 -0.16 1.25 -1.30 0.00 0.00 177.93 177.78 3hx2 h LEU 126 N -0.21 -0.49 -1.15 0.26 5.85 -1.95 -0.72 115.31 116.90 3hx2 h LEU 126 Ca -0.01 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3hx2 h LEU 126 Cb 0.18 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3hx2 h LEU 126 CO 0.02 -0.21 0.59 0.00 -0.34 0.00 0.00 178.44 178.50 3hx2 h ASP 128 N 1.00 -0.06 -0.78 0.00 3.58 -0.73 -2.44 116.42 117.00 3hx2 h ASP 128 Ca 0.40 -0.30 0.18 0.00 0.42 0.00 0.00 57.03 57.73 3hx2 h ASP 128 Cb 0.24 0.02 -0.13 0.00 1.72 0.00 0.00 39.33 41.18 3hx2 h ASP 128 CO -0.15 0.28 0.09 0.15 -2.88 0.00 0.00 179.24 176.73 3hx2 h PHE 129 N -0.40 0.11 -0.14 0.28 3.04 -0.51 0.19 116.94 119.52 3hx2 h PHE 129 Ca -0.01 0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 3hx2 h PHE 129 Cb 0.36 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.94 3hx2 h PHE 129 CO 0.04 -0.20 -0.13 -0.07 -2.02 0.00 0.00 178.31 175.92 3hx2 h LEU 130 N 0.16 0.35 -1.01 0.59 3.38 -1.29 -2.51 115.31 114.98 3hx2 h LEU 130 Ca 0.45 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hx2 h LEU 130 Cb 0.81 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 3hx2 h LEU 130 CO -0.63 0.75 0.65 -0.33 0.09 0.00 0.00 178.44 178.97 3hx2 h GLU 131 N -0.05 1.31 0.56 1.13 5.08 -0.82 0.09 114.58 121.89 3hx2 h GLU 131 Ca 0.02 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3hx2 h GLU 131 Cb 0.65 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hx2 h GLU 131 CO 0.03 0.88 -0.27 1.15 -1.00 0.00 0.00 179.01 179.80 3hx2 h THR 132 N 1.35 0.04 0.00 1.13 2.02 -0.65 -3.37 112.91 113.43 3hx2 h THR 132 Ca 0.36 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3hx2 h THR 132 Cb -0.14 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 3hx2 h THR 132 CO -0.08 0.01 -1.24 1.41 0.37 0.00 0.00 175.52 175.99 3hx2 n HIS 133 N -5.28 0.21 0.02 3.16 8.25 -0.95 -4.79 115.22 115.84 3hx2 n HIS 133 Ca -0.10 0.06 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 3hx2 n HIS 133 Cb 0.30 -0.41 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.00 0.00 -0.28 4.41 3.72 -0.50 -4.66 117.46 118.14 3hx2 n PHE 134 Ca 0.01 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.51 3hx2 n PHE 134 Cb 0.46 -0.05 0.25 0.00 -0.94 0.00 0.00 39.48 39.20 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 -0.07 0.06 0.00 4.37 3.38 -1.21 -1.30 115.31 120.54 3hx2 h LEU 135 Ca -0.02 0.17 -0.27 0.00 0.09 0.00 0.00 57.88 57.85 3hx2 h LEU 135 Cb 0.48 0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.46 3hx2 h LEU 135 CO -0.01 -0.09 -1.11 -0.78 0.09 0.00 0.00 178.44 176.55 3hx2 h ASP 136 N 0.27 0.75 -0.70 -0.43 -0.00 -1.83 -2.99 116.42 111.48 3hx2 h ASP 136 Ca 0.51 -0.65 0.02 0.00 -0.00 0.00 0.00 57.03 56.91 3hx2 h ASP 136 Cb 0.96 -0.23 -0.04 0.00 -0.00 0.00 0.00 39.33 40.01 3hx2 h ASP 136 CO -0.58 1.46 0.44 -0.33 -0.00 0.00 0.00 179.24 180.23 3hx2 h GLU 137 N 0.28 0.86 -0.22 0.28 4.39 -1.70 -0.63 114.58 117.84 3hx2 h GLU 137 Ca -0.14 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 3hx2 h GLU 137 Cb 1.77 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 3hx2 h GLU 137 CO 0.20 0.57 0.13 0.93 -1.16 0.00 0.00 179.01 179.68 3hx2 h GLU 138 N 0.88 0.31 -0.69 2.33 4.39 -1.29 0.61 114.58 121.12 3hx2 h GLU 138 Ca 0.27 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 3hx2 h GLU 138 Cb -0.02 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3hx2 h GLU 138 CO -0.09 0.27 0.39 0.28 -1.16 0.00 0.00 179.01 178.70 3hx2 h VAL 139 N 0.26 1.20 0.08 3.13 2.07 -1.31 0.21 116.25 121.88 3hx2 h VAL 139 Ca 0.08 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3hx2 h VAL 139 Cb 0.05 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3hx2 h VAL 139 CO -0.01 0.22 -0.04 0.11 0.02 0.00 0.00 177.57 177.86 3hx2 h LYS 140 N 0.95 -0.11 -0.52 1.57 1.57 -0.71 -1.85 116.57 117.47 3hx2 h LYS 140 Ca 0.25 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 3hx2 h LYS 140 Cb -0.01 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3hx2 h LYS 140 CO -0.04 0.26 0.24 1.25 -0.57 0.00 0.00 179.45 180.58 3hx2 h LEU 141 N -0.49 0.31 -0.43 2.94 5.85 -0.51 0.87 115.31 123.84 3hx2 h LEU 141 Ca -0.01 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3hx2 h LEU 141 Cb 0.41 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3hx2 h LEU 141 CO 0.02 0.21 0.28 0.40 -0.34 0.00 0.00 178.44 179.01 3hx2 h ILE 142 N 0.46 1.09 -0.47 4.05 2.04 -0.59 0.30 117.51 124.39 3hx2 h ILE 142 Ca 0.24 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3hx2 h ILE 142 Cb 0.20 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3hx2 h ILE 142 CO -0.20 0.10 0.10 0.50 0.00 0.00 0.00 178.15 178.66 3hx2 h LYS 143 N 0.57 0.71 -0.34 2.37 1.63 -0.62 0.44 116.57 121.33 3hx2 h LYS 143 Ca 0.16 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3hx2 h LYS 143 Cb -0.04 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 3hx2 h LYS 143 CO -0.05 0.65 0.08 -0.22 -3.45 0.00 0.00 179.45 176.46 3hx2 h LYS 144 N 0.69 0.55 -0.26 1.90 3.64 -0.04 -1.19 116.57 121.86 3hx2 h LYS 144 Ca 0.15 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3hx2 h LYS 144 Cb 0.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3hx2 h LYS 144 CO -0.00 0.61 -0.02 0.52 -2.27 0.00 0.00 179.45 178.28 3hx2 h MET 145 N 0.40 0.47 -0.65 1.90 2.86 -0.42 -2.19 114.93 117.30 3hx2 h MET 145 Ca 0.11 -0.16 0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3hx2 h MET 145 Cb 0.31 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3hx2 h MET 145 CO 0.00 0.66 0.43 0.78 1.06 0.00 0.00 176.91 179.84 3hx2 h GLY 146 N 0.23 0.70 0.75 8.32 0.00 -0.79 0.23 103.07 112.52 3hx2 h GLY 146 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3hx2 h GLY 146 CO 0.02 0.12 0.01 -0.55 0.00 0.00 0.00 176.54 176.14 3hx2 h ASP 147 N 0.50 0.10 0.15 0.19 3.32 -0.86 -2.57 116.42 117.25 3hx2 h ASP 147 Ca 0.30 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3hx2 h ASP 147 Cb 0.50 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3hx2 h ASP 147 CO -0.09 0.36 -0.30 0.45 -1.72 0.00 0.00 179.24 177.93 3hx2 h HIS 148 N -0.15 -0.82 -0.79 4.55 3.86 -0.58 -1.20 115.15 120.02 3hx2 h HIS 148 Ca 0.02 0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.43 3hx2 h HIS 148 Cb 0.30 0.34 -0.14 0.00 1.06 0.00 0.00 27.41 28.97 3hx2 h HIS 148 CO 0.02 -0.41 -0.01 -0.07 0.86 0.00 0.00 177.93 178.32 3hx2 h LEU 149 N -0.54 -0.41 -0.95 2.43 3.38 -0.98 0.33 115.31 118.57 3hx2 h LEU 149 Ca 0.02 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3hx2 h LEU 149 Cb 0.56 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3hx2 h LEU 149 CO -0.15 -0.21 0.01 0.74 0.09 0.00 0.00 178.44 178.91 3hx2 h THR 150 N 0.08 1.24 -0.14 0.22 2.02 -0.99 -0.82 112.91 114.51 3hx2 h THR 150 Ca 0.43 -0.98 -0.19 0.00 0.77 0.00 0.00 66.41 66.45 3hx2 h THR 150 Cb 0.77 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3hx2 h THR 150 CO -0.72 0.34 -0.69 0.78 0.37 0.00 0.00 175.52 175.61 3hx2 h ASN 151 N 0.73 0.69 0.35 4.18 2.35 0.59 -2.52 115.58 121.95 3hx2 h ASN 151 Ca 0.14 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 3hx2 h ASN 151 Cb 0.43 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3hx2 h ASN 151 CO 0.02 1.18 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.74 3hx2 h LEU 152 N 0.42 -0.39 -2.11 1.61 3.38 -0.29 -2.16 115.31 115.77 3hx2 h LEU 152 Ca -0.03 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hx2 h LEU 152 Cb 1.28 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3hx2 h LEU 152 CO 0.13 -0.09 0.32 -0.74 0.09 0.00 0.00 178.44 178.15 3hx2 h HIS 153 N -0.71 0.00 0.06 1.13 2.76 -1.21 0.18 115.15 117.37 3hx2 h HIS 153 Ca -0.05 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.88 3hx2 h HIS 153 Cb 0.49 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 3hx2 h HIS 153 CO 0.00 0.00 -1.08 -0.09 -1.30 0.00 0.00 177.93 175.47 3hx2 h ARG 154 N 0.00 0.28 -1.63 5.26 2.43 -0.96 -3.32 114.38 116.45 3hx2 h ARG 154 Ca 0.10 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3hx2 h ARG 154 Cb 0.74 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3hx2 h ARG 154 CO -0.00 1.13 0.00 1.28 -1.51 0.00 0.00 179.97 180.87 3hx2 n LEU 155 N -3.61 1.88 0.00 3.80 4.77 0.65 -3.93 117.00 120.55 3hx2 n LEU 155 Ca -0.07 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3hx2 n LEU 155 Cb 0.93 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3hx2 n LEU 155 CO 0.52 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3hx2 n GLY 156 N 1.02 -0.38 0.00 -0.72 0.00 -1.25 -5.08 105.19 98.78 3hx2 n GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx2 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx2 n GLY 157 N 2.62 0.81 0.00 -0.02 0.00 -1.25 -5.21 105.19 102.14 3hx2 n GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx2 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77