#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 s SER 3 N 0.00 2.43 0.38 4.04 0.15 -1.26 -5.04 113.70 114.40 3hx2 s SER 3 Ca 0.00 -0.38 0.12 0.00 0.70 0.00 0.00 55.95 56.39 3hx2 s SER 3 Cb 0.00 -0.37 0.91 0.00 -1.71 0.00 0.00 66.02 64.85 3hx2 s SER 3 CO 0.00 0.24 1.88 1.56 1.20 0.00 0.00 173.24 178.12 3hx2 h GLN 4 N 5.76 0.57 0.00 5.44 4.20 -2.00 -2.68 115.11 126.40 3hx2 h GLN 4 Ca -0.37 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.30 3hx2 h GLN 4 Cb 1.15 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3hx2 h GLN 4 CO 0.48 0.38 -1.33 0.44 -0.67 0.00 0.00 178.83 178.13 3hx2 n ILE 5 N -4.54 0.16 -1.67 2.54 -5.35 -1.26 -4.98 119.36 104.26 3hx2 n ILE 5 Ca 0.17 -0.33 -0.48 0.00 -0.27 0.00 0.00 62.75 61.83 3hx2 n ILE 5 Cb 0.51 0.17 -0.05 0.00 -1.74 0.00 0.00 39.64 38.53 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 -2.09 2.03 -3.39 6.28 0.63 -1.01 -4.80 116.66 114.30 3hx2 n ARG 6 Ca 0.00 0.74 -0.05 0.00 -0.92 0.00 0.00 57.85 57.62 3hx2 n ARG 6 Cb 0.48 -2.53 -0.06 0.00 0.45 0.00 0.00 32.46 30.80 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 2.62 0.42 -0.90 -0.14 0.74 -1.26 -4.91 119.66 116.23 3hx2 s GLN 7 Ca 0.87 0.85 0.00 0.00 0.05 0.00 0.00 55.36 57.14 3hx2 s GLN 7 Cb -0.73 0.09 0.00 0.00 1.10 0.00 0.00 33.01 33.48 3hx2 s GLN 7 CO 0.47 -0.51 0.00 -1.71 -0.55 0.00 0.00 175.29 172.99 3hx2 n ASN 8 N 5.40 -3.55 -4.06 6.67 5.15 -1.26 -5.00 115.26 118.60 3hx2 n ASN 8 Ca -0.05 0.05 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 3hx2 n ASN 8 Cb 0.50 -2.60 -0.12 0.00 -0.53 0.00 0.00 39.78 37.03 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 -2.47 3.52 0.56 1.20 5.04 -1.26 -4.80 117.35 119.15 3hx2 s TYR 9 Ca 0.00 -2.76 -0.20 0.00 -2.44 0.00 0.00 57.07 51.67 3hx2 s TYR 9 Cb 0.00 -3.08 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 3hx2 s TYR 9 CO 0.00 -0.90 1.24 -1.54 -1.34 0.00 0.00 175.55 173.01 3hx2 s SER 10 N 0.99 5.35 0.39 4.32 1.04 -1.26 -4.88 113.70 119.64 3hx2 s SER 10 Ca 0.12 2.48 0.28 0.00 0.48 0.00 0.00 55.95 59.32 3hx2 s SER 10 Cb -0.22 -2.61 1.23 0.00 0.10 0.00 0.00 66.02 64.52 3hx2 s SER 10 CO -0.04 -1.49 1.84 0.71 0.98 0.00 0.00 173.24 175.23 3hx2 h THR 11 N 1.18 0.00 0.19 2.02 1.35 -1.98 -1.63 112.91 114.03 3hx2 h THR 11 Ca -0.50 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3hx2 h THR 11 Cb 1.29 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3hx2 h THR 11 CO 0.56 0.00 -0.09 0.44 -0.25 0.00 0.00 175.52 176.18 3hx2 h ASP 12 N 0.00 -0.21 -0.39 5.36 3.45 -1.99 -2.10 116.42 120.54 3hx2 h ASP 12 Ca 0.00 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.13 3hx2 h ASP 12 Cb 0.35 0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3hx2 h ASP 12 CO 0.00 0.21 0.08 0.58 -1.57 0.00 0.00 179.24 178.54 3hx2 h VAL 13 N -0.67 1.21 -0.31 -1.35 2.07 -1.82 -1.38 116.25 114.00 3hx2 h VAL 13 Ca -0.03 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3hx2 h VAL 13 Cb 0.48 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3hx2 h VAL 13 CO 0.04 0.29 0.10 -0.08 0.02 0.00 0.00 177.57 177.94 3hx2 h GLU 14 N 0.69 0.48 -0.52 1.57 4.81 -1.32 -0.31 114.58 119.98 3hx2 h GLU 14 Ca 0.15 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3hx2 h GLU 14 Cb 0.31 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3hx2 h GLU 14 CO 0.00 0.52 0.13 0.00 -0.73 0.00 0.00 179.01 178.92 3hx2 h ALA 15 N 0.94 0.69 -0.55 2.92 0.00 -1.18 -2.46 119.26 119.62 3hx2 h ALA 15 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hx2 h ALA 15 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hx2 h ALA 15 CO -0.00 0.38 0.15 0.00 0.00 0.00 0.00 179.25 179.78 3hx2 h ALA 16 N 1.00 1.24 -0.66 0.00 0.00 -1.09 -1.64 119.26 118.11 3hx2 h ALA 16 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hx2 h ALA 16 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hx2 h ALA 16 CO 0.00 0.53 0.15 0.28 0.00 0.00 0.00 179.25 180.21 3hx2 h VAL 17 N 0.80 1.26 -0.12 0.00 2.07 -0.83 0.03 116.25 119.46 3hx2 h VAL 17 Ca 0.18 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3hx2 h VAL 17 Cb 0.27 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3hx2 h VAL 17 CO -0.00 0.37 -0.23 0.78 0.02 0.00 0.00 177.57 178.50 3hx2 h ASN 18 N 0.99 0.21 -0.06 0.57 2.35 -0.97 -1.33 115.58 117.33 3hx2 h ASN 18 Ca 0.21 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3hx2 h ASN 18 Cb 0.38 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3hx2 h ASN 18 CO 0.00 0.45 -0.14 -1.28 -1.65 0.00 0.00 177.43 174.81 3hx2 h SER 19 N 0.19 0.23 0.08 5.81 0.87 -0.80 -2.59 113.55 117.35 3hx2 h SER 19 Ca 0.03 -0.58 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 3hx2 h SER 19 Cb 0.52 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3hx2 h SER 19 CO 0.04 0.76 -0.02 0.25 -0.53 0.00 0.00 176.83 177.33 3hx2 h LEU 20 N -0.30 0.00 -0.10 2.23 5.85 -0.74 -0.66 115.31 121.59 3hx2 h LEU 20 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 3hx2 h LEU 20 Cb 0.73 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hx2 h LEU 20 CO 0.03 0.02 -0.51 0.58 -0.34 0.00 0.00 178.44 178.22 3hx2 h VAL 21 N 0.00 1.37 -0.12 1.05 2.07 -1.07 -2.19 116.25 117.36 3hx2 h VAL 21 Ca -0.00 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 3hx2 h VAL 21 Cb 0.06 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3hx2 h VAL 21 CO 0.00 0.55 -0.13 -1.13 0.02 0.00 0.00 177.57 176.88 3hx2 h ASN 22 N 0.12 0.17 -0.30 0.57 -0.73 -0.80 -0.42 115.58 114.19 3hx2 h ASN 22 Ca -0.04 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.07 3hx2 h ASN 22 Cb 1.16 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 3hx2 h ASN 22 CO 0.11 0.32 0.06 0.25 -0.37 0.00 0.00 177.43 177.80 3hx2 h LEU 23 N 0.18 0.47 -0.64 0.34 5.85 -1.00 -0.41 115.31 120.10 3hx2 h LEU 23 Ca 0.04 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.40 3hx2 h LEU 23 Cb 0.34 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3hx2 h LEU 23 CO 0.02 0.59 -0.54 1.88 -0.34 0.00 0.00 178.44 180.05 3hx2 h TYR 24 N 0.32 0.00 -0.49 1.25 -1.99 -1.04 -0.33 116.97 114.69 3hx2 h TYR 24 Ca 0.09 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 3hx2 h TYR 24 Cb 0.31 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 3hx2 h TYR 24 CO 0.02 0.54 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.63 3hx2 h LEU 25 N 0.00 0.86 -0.06 3.88 3.38 -0.74 0.22 115.31 122.85 3hx2 h LEU 25 Ca -0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3hx2 h LEU 25 Cb 1.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hx2 h LEU 25 CO 0.07 0.97 0.01 -0.61 0.09 0.00 0.00 178.44 178.97 3hx2 h GLN 26 N 0.73 0.11 -0.93 1.13 4.15 -0.92 -1.83 115.11 117.55 3hx2 h GLN 26 Ca 0.14 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.65 3hx2 h GLN 26 Cb 0.54 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.14 3hx2 h GLN 26 CO 0.03 0.33 0.56 0.00 -1.93 0.00 0.00 178.83 177.82 3hx2 h ALA 27 N 0.77 1.39 -0.75 3.38 0.00 -0.88 0.13 119.26 123.29 3hx2 h ALA 27 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hx2 h ALA 27 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hx2 h ALA 27 CO 0.00 0.14 0.29 1.03 0.00 0.00 0.00 179.25 180.70 3hx2 h SER 28 N 0.88 1.04 -0.27 0.00 0.87 -0.65 -1.57 113.55 113.85 3hx2 h SER 28 Ca 0.47 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3hx2 h SER 28 Cb 0.49 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3hx2 h SER 28 CO -0.28 0.93 0.09 0.22 -0.53 0.00 0.00 176.83 177.26 3hx2 h TYR 29 N 1.09 0.43 0.05 2.24 3.20 0.01 -0.74 116.97 123.25 3hx2 h TYR 29 Ca 0.25 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.09 3hx2 h TYR 29 Cb 0.22 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3hx2 h TYR 29 CO 0.02 0.46 -0.11 1.15 -1.64 0.00 0.00 178.16 178.03 3hx2 h THR 30 N 0.27 0.73 0.00 1.81 2.02 -0.72 -1.24 112.91 115.78 3hx2 h THR 30 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 3hx2 h THR 30 Cb 0.22 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3hx2 h THR 30 CO -0.00 0.00 -0.08 1.88 0.37 0.00 0.00 175.52 177.68 3hx2 h TYR 31 N -0.22 0.00 -0.05 3.16 0.05 -1.19 -0.64 116.97 118.08 3hx2 h TYR 31 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3hx2 h TYR 31 Cb 0.24 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 3hx2 h TYR 31 CO -0.15 0.08 -0.06 1.25 -1.05 0.00 0.00 178.16 178.23 3hx2 h LEU 32 N 0.00 0.15 0.28 3.88 5.85 -0.44 -2.40 115.31 122.62 3hx2 h LEU 32 Ca -0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3hx2 h LEU 32 Cb 0.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3hx2 h LEU 32 CO 0.01 0.62 -0.43 -1.28 -0.34 0.00 0.00 178.44 177.03 3hx2 h SER 33 N -0.33 -1.22 -0.81 1.25 0.87 -0.17 -2.18 113.55 110.96 3hx2 h SER 33 Ca 0.01 0.12 0.15 0.00 -1.23 0.00 0.00 61.79 60.83 3hx2 h SER 33 Cb 0.59 0.43 -0.09 0.00 -0.44 0.00 0.00 62.40 62.88 3hx2 h SER 33 CO 0.01 -0.54 0.38 -0.07 -0.53 0.00 0.00 176.83 176.09 3hx2 h LEU 34 N -0.77 0.43 -0.46 2.23 3.38 -1.23 -1.72 115.31 117.16 3hx2 h LEU 34 Ca -0.01 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hx2 h LEU 34 Cb 0.73 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3hx2 h LEU 34 CO -0.15 0.17 0.28 1.23 0.09 0.00 0.00 178.44 180.05 3hx2 h GLY 35 N 0.55 0.65 1.98 0.83 0.00 -0.87 -2.52 103.07 103.67 3hx2 h GLY 35 Ca 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3hx2 h GLY 35 CO -0.38 0.18 -0.02 0.69 0.00 0.00 0.00 176.54 177.02 3hx2 n PHE 36 N -4.82 0.67 -0.00 5.60 3.01 -0.83 -3.57 117.46 117.51 3hx2 n PHE 36 Ca 0.02 0.19 -0.12 0.00 1.01 0.00 0.00 57.45 58.56 3hx2 n PHE 36 Cb 0.06 -0.81 -0.10 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 -0.08 0.00 1.38 3.20 -0.92 -2.95 116.97 117.60 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 0.67 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3hx2 h TYR 37 CO 0.00 0.50 0.00 1.19 -1.64 0.00 0.00 178.16 178.21 3hx2 n PHE 38 N -4.83 0.00 0.63 -3.82 3.72 -1.04 -1.32 117.46 110.80 3hx2 n PHE 38 Ca -0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 3hx2 n PHE 38 Cb 0.30 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.50 0.72 -4.76 4.37 -0.08 -1.12 -1.61 116.55 113.56 3hx2 n ASP 39 Ca 0.00 -0.79 -0.39 0.00 -1.51 0.00 0.00 54.79 52.10 3hx2 n ASP 39 Cb 0.00 1.03 0.02 0.00 2.34 0.00 0.00 41.12 44.51 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 -2.36 3.59 0.57 -0.67 0.52 -0.43 -4.69 118.95 115.48 3hx2 s ARG 40 Ca 0.05 2.22 0.27 0.00 -0.52 0.00 0.00 55.73 57.75 3hx2 s ARG 40 Cb 0.11 -2.53 1.55 0.00 0.52 0.00 0.00 34.95 34.60 3hx2 s ARG 40 CO 0.58 -0.82 2.07 0.38 0.02 0.00 0.00 175.30 177.52 3hx2 h ASP 41 N 2.11 0.00 -0.31 0.23 -0.00 -1.94 0.35 116.42 116.86 3hx2 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.53 3hx2 h ASP 41 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.60 3hx2 h ASP 41 CO 0.60 0.00 0.00 -0.90 -0.00 0.00 0.00 179.24 178.94 3hx2 n ASP 42 N -4.00 2.09 0.00 4.15 3.85 -1.26 -4.16 116.55 117.22 3hx2 n ASP 42 Ca 0.03 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 3hx2 n ASP 42 Cb 0.39 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 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 0.62 0.00 -2.35 2.12 0.31 -0.33 -5.09 118.33 113.61 3hx2 n VAL 43 Ca 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.44 3hx2 n VAL 43 Cb 0.36 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 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 -1.89 -1.25 -3.60 3.52 0.00 0.11 -4.92 120.51 112.48 3hx2 n ALA 44 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.15 3hx2 n ALA 44 Cb 0.26 -0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.61 1.20 -0.35 0.00 4.77 -0.63 -4.97 117.00 116.40 3hx2 n LEU 45 Ca -0.04 -4.79 0.13 0.00 -0.03 0.00 0.00 56.01 51.29 3hx2 n LEU 45 Cb 0.10 -0.05 0.33 0.00 -2.33 0.00 0.00 43.42 41.48 3hx2 n LEU 45 CO 0.09 1.83 1.20 -0.08 -1.33 0.00 0.00 177.39 179.10 3hx2 h GLU 46 N 5.39 0.72 -0.17 3.23 4.81 -1.92 -0.33 114.58 126.31 3hx2 h GLU 46 Ca 0.21 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3hx2 h GLU 46 Cb 0.83 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3hx2 h GLU 46 CO 0.54 0.48 0.05 0.78 -0.73 0.00 0.00 179.01 180.13 3hx2 h GLY 47 N 0.74 0.20 1.26 1.92 0.00 -1.93 -0.29 103.07 104.97 3hx2 h GLY 47 Ca 0.57 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.73 3hx2 h GLY 47 CO -0.36 0.02 -0.36 -2.08 0.00 0.00 0.00 176.54 173.75 3hx2 h VAL 48 N 0.13 1.28 0.08 4.60 2.07 -1.73 -2.68 116.25 120.00 3hx2 h VAL 48 Ca 0.07 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.07 3hx2 h VAL 48 Cb 0.05 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3hx2 h VAL 48 CO -0.08 0.51 -0.13 -1.28 0.02 0.00 0.00 177.57 176.60 3hx2 h SER 49 N 0.68 -0.36 -0.79 0.57 0.87 -0.81 -2.08 113.55 111.63 3hx2 h SER 49 Ca 0.06 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3hx2 h SER 49 Cb 0.92 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 3hx2 h SER 49 CO 0.08 -0.19 0.49 -0.74 -0.53 0.00 0.00 176.83 175.94 3hx2 h HIS 50 N -0.26 1.04 -0.78 2.24 6.17 -1.06 -1.08 115.15 121.42 3hx2 h HIS 50 Ca 0.02 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.11 3hx2 h HIS 50 Cb 0.28 -0.34 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 3hx2 h HIS 50 CO -0.15 0.69 0.51 0.35 0.71 0.00 0.00 177.93 180.03 3hx2 h PHE 51 N 1.10 0.99 0.00 5.26 3.57 -1.06 -0.55 116.94 126.24 3hx2 h PHE 51 Ca 0.29 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 3hx2 h PHE 51 Cb -0.06 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 3hx2 h PHE 51 CO 0.00 0.63 -0.39 0.74 -2.23 0.00 0.00 178.31 177.06 3hx2 h PHE 52 N 1.06 0.00 -0.01 0.41 0.05 -0.95 -2.88 116.94 114.61 3hx2 h PHE 52 Ca 0.28 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.90 3hx2 h PHE 52 Cb -0.10 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.83 3hx2 h PHE 52 CO -0.02 0.39 -0.77 0.00 -0.18 0.00 0.00 178.31 177.74 3hx2 h ARG 53 N 0.00 0.12 -0.22 1.51 3.08 -0.68 -2.13 114.38 116.06 3hx2 h ARG 53 Ca -0.00 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 3hx2 h ARG 53 Cb 1.25 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 3hx2 h ARG 53 CO 0.05 0.83 -0.57 0.93 -1.07 0.00 0.00 179.97 180.14 3hx2 h GLU 54 N 0.07 0.69 0.00 0.04 5.08 -1.10 -3.00 114.58 116.37 3hx2 h GLU 54 Ca -0.02 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 3hx2 h GLU 54 Cb 1.34 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 3hx2 h GLU 54 CO 0.11 1.07 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.69 3hx2 h LEU 55 N 0.52 0.00 -1.31 1.33 3.38 -1.42 -1.23 115.31 116.59 3hx2 h LEU 55 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3hx2 h LEU 55 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3hx2 h LEU 55 CO 0.12 0.43 -0.33 0.00 0.09 0.00 0.00 178.44 178.74 3hx2 h ALA 56 N 1.57 1.29 0.15 1.53 0.00 -1.26 -1.79 119.26 120.75 3hx2 h ALA 56 Ca -0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 3hx2 h ALA 56 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hx2 h ALA 56 CO 0.06 0.41 -1.54 1.49 0.00 0.00 0.00 179.25 179.67 3hx2 h GLU 57 N 0.00 0.31 -0.68 0.00 4.57 -1.31 -2.90 114.58 114.58 3hx2 h GLU 57 Ca -0.00 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.62 3hx2 h GLU 57 Cb 0.65 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 3hx2 h GLU 57 CO 0.04 1.20 0.35 0.93 -1.18 0.00 0.00 179.01 180.35 3hx2 h GLU 58 N 0.09 0.96 -0.01 1.92 5.08 -0.94 -0.96 114.58 120.71 3hx2 h GLU 58 Ca -0.25 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 57.83 3hx2 h GLU 58 Cb 2.05 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 3hx2 h GLU 58 CO 0.18 0.72 -0.75 0.87 -1.00 0.00 0.00 179.01 179.04 3hx2 h LYS 59 N 0.96 0.08 -0.61 2.33 1.79 -1.42 -1.99 116.57 117.72 3hx2 h LYS 59 Ca 0.24 -0.08 -0.07 0.00 -2.18 0.00 0.00 60.65 58.56 3hx2 h LYS 59 Cb 0.07 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3hx2 h LYS 59 CO -0.03 0.79 0.11 -0.09 -1.08 0.00 0.00 179.45 179.15 3hx2 h ARG 60 N 0.05 1.01 0.00 3.15 2.43 -1.14 -0.83 114.38 119.04 3hx2 h ARG 60 Ca -0.02 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 3hx2 h ARG 60 Cb 1.32 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3hx2 h ARG 60 CO 0.10 0.94 -0.07 0.93 -1.51 0.00 0.00 179.97 180.37 3hx2 h GLU 61 N 0.92 0.00 0.07 0.20 5.08 -1.08 -2.50 114.58 117.26 3hx2 h GLU 61 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hx2 h GLU 61 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hx2 h GLU 61 CO 0.01 0.07 -0.03 0.78 -1.00 0.00 0.00 179.01 178.84 3hx2 h GLY 62 N 2.07 -0.10 2.00 -3.84 0.00 -0.40 -2.58 103.07 100.23 3hx2 h GLY 62 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3hx2 h GLY 62 CO 0.01 -0.04 0.00 0.10 0.00 0.00 0.00 176.54 176.61 3hx2 h TYR 63 N -0.77 0.00 0.04 5.60 -0.00 -1.31 -2.36 116.97 118.17 3hx2 h TYR 63 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.48 3hx2 h TYR 63 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.31 3hx2 h TYR 63 CO 0.13 0.00 -1.16 0.93 -0.00 0.00 0.00 178.16 178.05 3hx2 h GLU 64 N 0.00 0.08 -0.03 0.10 5.08 -1.48 -2.07 114.58 116.26 3hx2 h GLU 64 Ca 0.00 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 3hx2 h GLU 64 Cb 0.51 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3hx2 h GLU 64 CO 0.00 1.01 -0.78 -0.09 -1.00 0.00 0.00 179.01 178.16 3hx2 h ARG 65 N 0.02 0.27 -0.24 2.33 2.43 -1.15 -2.00 114.38 116.04 3hx2 h ARG 65 Ca -0.08 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 58.72 3hx2 h ARG 65 Cb 1.86 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.47 3hx2 h ARG 65 CO 0.14 0.92 -0.31 -0.07 -1.51 0.00 0.00 179.97 179.14 3hx2 h LEU 66 N 0.17 0.68 -1.31 3.80 3.38 -1.44 -1.73 115.31 118.86 3hx2 h LEU 66 Ca -0.03 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 3hx2 h LEU 66 Cb 1.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hx2 h LEU 66 CO 0.12 1.05 -0.34 -0.07 0.09 0.00 0.00 178.44 179.29 3hx2 h LEU 67 N 0.33 0.00 -0.03 1.67 3.38 -1.37 0.83 115.31 120.13 3hx2 h LEU 67 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hx2 h LEU 67 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3hx2 h LEU 67 CO 0.07 0.34 -0.01 0.50 0.09 0.00 0.00 178.44 179.43 3hx2 h LYS 68 N 0.00 0.05 0.00 1.13 1.63 -1.25 -2.81 116.57 115.33 3hx2 h LYS 68 Ca -0.00 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 3hx2 h LYS 68 Cb 0.63 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 3hx2 h LYS 68 CO 0.04 0.46 -0.21 1.98 -3.45 0.00 0.00 179.45 178.28 3hx2 h MET 69 N -0.36 0.00 -0.01 1.90 4.05 -1.01 -2.15 114.93 117.35 3hx2 h MET 69 Ca 0.01 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3hx2 h MET 69 Cb 0.45 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 3hx2 h MET 69 CO 0.00 0.21 0.01 0.37 0.23 0.00 0.00 176.91 177.73 3hx2 h GLN 70 N 0.00 0.02 0.00 0.39 5.75 -0.70 -2.63 115.11 117.94 3hx2 h GLN 70 Ca -0.00 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3hx2 h GLN 70 Cb 0.38 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3hx2 h GLN 70 CO 0.03 0.10 -0.24 -0.91 -2.65 0.00 0.00 178.83 175.15 3hx2 h ASN 71 N -0.06 0.00 1.57 -0.69 2.35 -1.21 -1.37 115.58 116.16 3hx2 h ASN 71 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3hx2 h ASN 71 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3hx2 h ASN 71 CO -0.00 0.24 -0.04 1.56 -1.65 0.00 0.00 177.43 177.54 3hx2 h GLN 72 N 0.00 0.00 -0.12 0.81 4.20 -1.05 -3.04 115.11 115.90 3hx2 h GLN 72 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hx2 h GLN 72 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3hx2 h GLN 72 CO 0.03 0.04 0.00 0.54 -0.67 0.00 0.00 178.83 178.77 3hx2 n ARG 73 N -3.12 2.30 -0.66 1.46 5.12 -1.03 -4.95 116.66 115.78 3hx2 n ARG 73 Ca 0.02 -1.99 0.00 0.00 -1.93 0.00 0.00 57.85 53.95 3hx2 n ARG 73 Cb 0.46 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 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 1.35 0.83 3.77 -0.13 0.00 -1.15 -4.08 105.19 105.78 3hx2 n GLY 74 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.66 1.64 -0.15 -0.02 0.00 -0.53 -4.78 107.32 101.82 3hx2 s GLY 75 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 3hx2 s GLY 75 CO 0.00 0.42 -0.11 0.50 0.00 0.00 0.00 173.10 173.91 3hx2 s ARG 76 N -5.00 3.39 -0.08 2.90 1.81 -1.26 -4.25 118.95 116.45 3hx2 s ARG 76 Ca 0.61 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.66 3hx2 s ARG 76 Cb -0.16 -2.71 -0.03 0.00 -0.45 0.00 0.00 34.95 31.60 3hx2 s ARG 76 CO 0.56 0.13 1.17 0.00 -0.68 0.00 0.00 175.30 176.49 3hx2 s ALA 77 N 0.57 3.51 -0.18 2.13 0.00 -1.26 -4.99 121.76 121.53 3hx2 s ALA 77 Ca -0.07 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3hx2 s ALA 77 Cb -0.15 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3hx2 s ALA 77 CO 0.03 -0.81 -0.18 -0.51 0.00 0.00 0.00 175.76 174.30 3hx2 s LEU 78 N 2.40 2.19 0.02 0.00 1.43 -1.26 -5.12 118.68 118.33 3hx2 s LEU 78 Ca 0.54 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 3hx2 s LEU 78 Cb -0.23 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 3hx2 s LEU 78 CO 0.20 -0.03 0.39 -0.36 0.23 0.00 0.00 176.35 176.77 3hx2 s PHE 79 N 1.31 3.67 0.41 0.29 0.08 -1.26 -4.89 117.98 117.59 3hx2 s PHE 79 Ca 0.03 0.89 0.07 0.00 0.12 0.00 0.00 56.93 58.04 3hx2 s PHE 79 Cb -0.14 -2.22 -0.07 0.00 -0.57 0.00 0.00 43.02 40.02 3hx2 s PHE 79 CO -0.12 0.61 0.03 -0.65 -0.10 0.00 0.00 175.22 174.99 3hx2 s GLN 80 N -1.38 2.00 0.30 0.44 -0.21 -1.26 -5.11 119.66 114.44 3hx2 s GLN 80 Ca 0.26 -2.06 -0.29 0.00 0.02 0.00 0.00 55.36 53.30 3hx2 s GLN 80 Cb -0.15 -1.70 -0.10 0.00 1.00 0.00 0.00 33.01 32.06 3hx2 s GLN 80 CO 0.14 -0.05 1.35 -0.51 -2.12 0.00 0.00 175.29 174.11 3hx2 s ASP 81 N -3.74 6.72 -0.43 5.90 -0.00 -1.26 -4.97 116.67 118.89 3hx2 s ASP 81 Ca 0.36 2.69 -0.21 0.00 -0.00 0.00 0.00 52.55 55.39 3hx2 s ASP 81 Cb 0.09 -2.64 0.02 0.00 -0.00 0.00 0.00 42.92 40.39 3hx2 s ASP 81 CO 0.19 -0.60 0.65 -0.63 -0.00 0.00 0.00 175.17 174.78 3hx2 s ILE 82 N -0.77 4.82 0.24 0.77 1.01 -1.26 -5.04 121.20 120.98 3hx2 s ILE 82 Ca 0.52 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 3hx2 s ILE 82 Cb -0.40 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 37.76 3hx2 s ILE 82 CO 0.50 -0.59 1.37 -0.54 0.00 0.00 0.00 174.94 175.68 3hx2 s LYS 83 N 2.84 4.33 0.77 2.79 1.02 -1.26 -4.99 119.74 125.24 3hx2 s LYS 83 Ca 0.23 2.19 -0.14 0.00 0.02 0.00 0.00 55.97 58.27 3hx2 s LYS 83 Cb -0.14 -3.14 0.06 0.00 -0.52 0.00 0.00 37.83 34.10 3hx2 s LYS 83 CO 0.19 -0.31 1.19 -1.59 -0.92 0.00 0.00 175.35 173.91 3hx2 s LYS 84 N -0.52 1.91 0.88 1.68 -2.85 -1.26 -4.88 119.74 114.70 3hx2 s LYS 84 Ca 0.56 1.70 -0.11 0.00 -1.00 0.00 0.00 55.97 57.13 3hx2 s LYS 84 Cb -0.39 -1.81 0.12 0.00 -2.06 0.00 0.00 37.83 33.69 3hx2 s LYS 84 CO 0.43 -1.99 1.16 -2.14 0.10 0.00 0.00 175.35 172.90 3hx2 s PRO 85 N -4.09 1.26 0.56 1.78 0.02 -1.26 -4.92 135.00 128.34 3hx2 s PRO 85 Ca 0.72 1.59 0.24 0.00 0.02 0.00 0.00 61.00 63.57 3hx2 s PRO 85 Cb -0.28 -1.75 1.57 0.00 0.02 0.00 0.00 34.50 34.07 3hx2 s PRO 85 CO 0.48 -2.46 2.20 0.00 -0.33 0.00 0.00 177.00 176.89 3hx2 h ALA 86 N -1.56 1.76 -1.91 -1.55 0.00 -1.98 -3.45 119.26 110.57 3hx2 h ALA 86 Ca -0.44 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.98 3hx2 h ALA 86 Cb 1.27 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 3hx2 h ALA 86 CO 0.43 -0.02 -0.59 -1.21 0.00 0.00 0.00 179.25 177.86 3hx2 s GLU 87 N -4.83 1.72 -0.02 0.00 0.41 -1.26 -5.04 118.70 109.68 3hx2 s GLU 87 Ca -0.05 -1.98 0.04 0.00 -0.41 0.00 0.00 54.97 52.57 3hx2 s GLU 87 Cb 0.16 -0.84 -0.06 0.00 -1.78 0.00 0.00 34.13 31.61 3hx2 s GLU 87 CO 0.60 -0.25 0.07 -0.25 -0.49 0.00 0.00 175.26 174.95 3hx2 n ASP 88 N -0.82 4.01 -3.96 -0.19 8.00 -1.26 -4.96 116.55 117.37 3hx2 n ASP 88 Ca -0.03 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.25 3hx2 n ASP 88 Cb 0.66 1.02 -0.16 0.00 -0.02 0.00 0.00 41.12 42.62 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 -2.24 1.23 -0.03 -1.24 2.02 -1.26 -5.01 118.70 112.16 3hx2 s GLU 89 Ca -0.02 -0.26 0.18 0.00 0.02 0.00 0.00 54.97 54.90 3hx2 s GLU 89 Cb 0.02 -1.09 0.58 0.00 0.10 0.00 0.00 34.13 33.74 3hx2 s GLU 89 CO 0.18 -0.02 1.48 0.91 0.02 0.00 0.00 175.26 177.83 3hx2 n TRP 90 N 3.87 0.98 -4.45 1.61 7.02 -1.26 -5.05 117.44 120.17 3hx2 n TRP 90 Ca -0.24 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 55.79 3hx2 n TRP 90 Cb 0.51 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.34 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 1.37 2.07 3.95 6.99 0.00 -1.26 -3.54 105.19 114.77 3hx2 n GLY 91 Ca 0.22 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 3.11 0.20 1.61 1.02 -1.26 -4.90 119.74 119.52 3hx2 s LYS 92 Ca 0.00 -0.49 -0.22 0.00 0.02 0.00 0.00 55.97 55.28 3hx2 s LYS 92 Cb 0.00 -2.58 0.13 0.00 -0.52 0.00 0.00 37.83 34.86 3hx2 s LYS 92 CO 0.00 -0.21 1.56 1.15 -0.92 0.00 0.00 175.35 176.92 3hx2 h THR 93 N 0.46 0.03 -0.12 2.17 2.02 -2.00 0.76 112.91 116.24 3hx2 h THR 93 Ca -0.46 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3hx2 h THR 93 Cb 1.25 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3hx2 h THR 93 CO 0.57 0.00 0.09 -0.65 0.37 0.00 0.00 175.52 175.91 3hx2 h PRO 94 N -0.06 0.00 -0.11 6.66 0.11 -1.95 -0.46 132.00 136.19 3hx2 h PRO 94 Ca 0.27 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.15 3hx2 h PRO 94 Cb 0.55 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.67 3hx2 h PRO 94 CO -0.89 0.00 -0.82 -0.44 -0.21 0.00 0.00 178.00 175.63 3hx2 h ASP 95 N 0.00 0.84 -0.37 -2.05 3.45 -1.15 -1.82 116.42 115.32 3hx2 h ASP 95 Ca 0.06 -0.58 -0.05 0.00 0.43 0.00 0.00 57.03 56.89 3hx2 h ASP 95 Cb 0.24 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3hx2 h ASP 95 CO -0.00 1.37 0.03 0.00 -1.57 0.00 0.00 179.24 179.06 3hx2 h ALA 96 N 0.61 0.50 0.00 3.45 0.00 -0.68 -2.26 119.26 120.87 3hx2 h ALA 96 Ca -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3hx2 h ALA 96 Cb 1.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3hx2 h ALA 96 CO 0.16 0.24 -0.21 1.98 0.00 0.00 0.00 179.25 181.42 3hx2 h MET 97 N 0.46 0.00 -0.23 0.00 -1.53 -1.11 -1.55 114.93 110.97 3hx2 h MET 97 Ca 0.11 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.24 3hx2 h MET 97 Cb 0.42 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.47 3hx2 h MET 97 CO 0.01 0.21 -0.36 0.87 0.14 0.00 0.00 176.91 177.79 3hx2 h LYS 98 N 0.00 0.66 -0.33 0.39 1.57 -0.95 -1.91 116.57 116.00 3hx2 h LYS 98 Ca -0.00 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3hx2 h LYS 98 Cb 0.42 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3hx2 h LYS 98 CO 0.03 1.01 0.16 0.00 -0.57 0.00 0.00 179.45 180.07 3hx2 h ALA 99 N 0.64 0.42 -0.16 3.86 0.00 -0.92 -2.07 119.26 121.03 3hx2 h ALA 99 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hx2 h ALA 99 Cb 0.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hx2 h ALA 99 CO 0.08 -0.02 0.07 0.00 0.00 0.00 0.00 179.25 179.39 3hx2 h ALA 100 N 1.01 0.19 -0.75 0.00 0.00 -1.30 -0.61 119.26 117.80 3hx2 h ALA 100 Ca 0.11 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3hx2 h ALA 100 Cb 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3hx2 h ALA 100 CO -0.01 -0.36 0.39 1.98 0.00 0.00 0.00 179.25 181.24 3hx2 h MET 101 N 0.16 0.63 -0.24 0.00 -1.53 -1.17 0.03 114.93 112.81 3hx2 h MET 101 Ca 0.06 -0.04 -0.14 0.00 -3.44 0.00 0.00 59.70 56.15 3hx2 h MET 101 Cb 0.02 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 30.92 3hx2 h MET 101 CO -0.05 0.41 -0.43 0.00 0.14 0.00 0.00 176.91 176.99 3hx2 h ALA 102 N 1.45 0.80 -0.57 0.39 0.00 -0.98 -1.33 119.26 119.03 3hx2 h ALA 102 Ca 0.37 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hx2 h ALA 102 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hx2 h ALA 102 CO -0.28 0.65 0.21 1.25 0.00 0.00 0.00 179.25 181.09 3hx2 h LEU 103 N 0.48 0.80 -0.65 0.00 5.85 -0.12 -0.47 115.31 121.20 3hx2 h LEU 103 Ca 0.04 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 3hx2 h LEU 103 Cb 0.94 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3hx2 h LEU 103 CO 0.08 0.77 -0.36 -0.33 -0.34 0.00 0.00 178.44 178.27 3hx2 h GLU 104 N 0.78 0.65 0.00 1.25 4.39 -0.93 -1.63 114.58 119.08 3hx2 h GLU 104 Ca 0.19 -0.31 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 3hx2 h GLU 104 Cb 0.24 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3hx2 h GLU 104 CO -0.01 0.91 -0.27 0.87 -1.16 0.00 0.00 179.01 179.35 3hx2 h LYS 105 N 0.54 0.00 -0.02 2.33 1.57 -0.80 0.14 116.57 120.33 3hx2 h LYS 105 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3hx2 h LYS 105 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3hx2 h LYS 105 CO 0.08 0.27 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.94 3hx2 h LYS 106 N 0.00 0.08 -0.11 3.15 3.64 -0.64 -2.40 116.57 120.28 3hx2 h LYS 106 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hx2 h LYS 106 Cb 0.50 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3hx2 h LYS 106 CO 0.04 0.68 0.07 -0.07 -2.27 0.00 0.00 179.45 177.90 3hx2 h LEU 107 N -0.50 0.14 -1.51 5.20 3.38 -1.08 -0.94 115.31 120.00 3hx2 h LEU 107 Ca -0.00 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3hx2 h LEU 107 Cb 0.69 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3hx2 h LEU 107 CO 0.01 0.14 0.43 -1.13 0.09 0.00 0.00 178.44 177.99 3hx2 h ASN 108 N 0.12 0.50 -0.17 -0.43 -1.24 -1.03 0.38 115.58 113.71 3hx2 h ASN 108 Ca 0.04 0.01 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 3hx2 h ASN 108 Cb 0.03 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 3hx2 h ASN 108 CO -0.01 0.31 -0.28 -0.61 -1.29 0.00 0.00 177.43 175.55 3hx2 h GLN 109 N 0.57 0.49 -0.81 6.67 5.75 -0.97 -0.38 115.11 126.43 3hx2 h GLN 109 Ca 0.30 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3hx2 h GLN 109 Cb 0.42 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 3hx2 h GLN 109 CO -0.09 0.90 0.53 0.00 -2.65 0.00 0.00 178.83 177.51 3hx2 h ALA 110 N 0.58 1.41 -0.21 3.38 0.00 0.02 0.52 119.26 124.96 3hx2 h ALA 110 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hx2 h ALA 110 Cb 0.87 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hx2 h ALA 110 CO 0.06 0.54 0.04 -0.07 0.00 0.00 0.00 179.25 179.82 3hx2 h LEU 111 N 1.10 0.33 -1.81 0.00 3.38 -0.10 -1.34 115.31 116.87 3hx2 h LEU 111 Ca 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hx2 h LEU 111 Cb -0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3hx2 h LEU 111 CO -0.06 0.51 -0.11 -0.07 0.09 0.00 0.00 178.44 178.79 3hx2 h LEU 112 N 0.15 0.00 -0.14 1.67 3.38 -0.37 -1.80 115.31 118.20 3hx2 h LEU 112 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3hx2 h LEU 112 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hx2 h LEU 112 CO 0.00 0.11 -0.21 0.44 0.09 0.00 0.00 178.44 178.88 3hx2 h ASP 113 N 0.00 0.42 0.17 -0.43 3.45 -0.50 -2.31 116.42 117.22 3hx2 h ASP 113 Ca -0.00 -0.53 -0.03 0.00 0.43 0.00 0.00 57.03 56.90 3hx2 h ASP 113 Cb 0.21 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3hx2 h ASP 113 CO 0.01 0.87 -0.15 0.25 -1.57 0.00 0.00 179.24 178.66 3hx2 h LEU 114 N -0.01 0.00 -0.14 1.55 5.85 -0.79 -1.41 115.31 120.36 3hx2 h LEU 114 Ca 0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3hx2 h LEU 114 Cb 0.78 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3hx2 h LEU 114 CO 0.05 0.15 -0.50 -0.74 -0.34 0.00 0.00 178.44 177.05 3hx2 h HIS 115 N 0.00 0.00 -0.03 1.25 2.76 -1.24 -1.43 115.15 116.47 3hx2 h HIS 115 Ca -0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 3hx2 h HIS 115 Cb 0.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3hx2 h HIS 115 CO 0.00 0.50 -0.25 0.00 -1.30 0.00 0.00 177.93 176.88 3hx2 h ALA 116 N 1.50 0.07 -0.15 5.26 0.00 -0.73 -2.01 119.26 123.20 3hx2 h ALA 116 Ca -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3hx2 h ALA 116 Cb 1.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3hx2 h ALA 116 CO 0.07 0.10 -0.03 1.25 0.00 0.00 0.00 179.25 180.63 3hx2 h LEU 117 N -0.37 0.20 -0.53 0.00 5.85 -1.33 -0.33 115.31 118.80 3hx2 h LEU 117 Ca -0.02 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 3hx2 h LEU 117 Cb 0.95 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3hx2 h LEU 117 CO 0.05 0.28 0.02 1.23 -0.34 0.00 0.00 178.44 179.68 3hx2 h GLY 118 N 0.53 1.01 2.00 3.75 0.00 -1.18 -1.83 103.07 107.34 3hx2 h GLY 118 Ca 0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 3hx2 h GLY 118 CO 0.01 0.67 -0.48 1.76 0.00 0.00 0.00 176.54 178.50 3hx2 h SER 119 N 0.81 0.00 -0.26 0.19 0.02 -0.49 -1.18 113.55 112.64 3hx2 h SER 119 Ca 0.15 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.91 3hx2 h SER 119 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3hx2 h SER 119 CO 0.02 0.48 -0.59 0.00 -1.14 0.00 0.00 176.83 175.60 3hx2 h ALA 120 N 1.52 0.44 -0.44 3.77 0.00 -0.83 -3.00 119.26 120.72 3hx2 h ALA 120 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3hx2 h ALA 120 Cb 1.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3hx2 h ALA 120 CO 0.06 0.68 0.10 0.54 0.00 0.00 0.00 179.25 180.63 3hx2 n ARG 121 N -3.99 3.20 -3.71 0.00 5.12 -0.71 -4.94 116.66 111.63 3hx2 n ARG 121 Ca -0.05 -2.07 -0.22 0.00 -1.93 0.00 0.00 57.85 53.58 3hx2 n ARG 121 Cb 0.65 -1.96 0.01 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.19 -1.51 -3.79 0.55 -2.24 -1.09 -4.89 114.28 101.51 3hx2 n THR 122 Ca 0.23 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 3hx2 n THR 122 Cb 0.97 -1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 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 -3.69 5.24 0.56 3.42 -1.08 -0.47 -4.95 116.67 115.70 3hx2 s ASP 123 Ca 0.19 -3.56 0.30 0.00 -0.52 0.00 0.00 52.55 48.95 3hx2 s ASP 123 Cb -0.10 -1.77 1.64 0.00 -1.46 0.00 0.00 42.92 41.23 3hx2 s ASP 123 CO 0.52 -0.18 2.15 1.55 0.52 0.00 0.00 175.17 179.73 3hx2 h PRO 124 N 5.99 0.00 -0.18 4.34 0.13 -1.90 -2.81 132.00 137.56 3hx2 h PRO 124 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3hx2 h PRO 124 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3hx2 h PRO 124 CO 0.76 0.07 -0.10 1.25 -0.23 0.00 0.00 178.00 179.75 3hx2 h HIS 125 N 0.00 0.45 -0.29 1.56 2.76 -1.97 -1.82 115.15 115.84 3hx2 h HIS 125 Ca -0.00 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3hx2 h HIS 125 Cb 0.21 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 3hx2 h HIS 125 CO 0.00 0.70 0.18 1.25 -1.30 0.00 0.00 177.93 178.76 3hx2 h LEU 126 N 0.07 0.34 -0.79 0.26 5.85 -1.90 -0.99 115.31 118.14 3hx2 h LEU 126 Ca 0.04 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hx2 h LEU 126 Cb 0.59 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3hx2 h LEU 126 CO 0.03 0.27 0.44 0.00 -0.34 0.00 0.00 178.44 178.84 3hx2 h ASP 128 N 1.09 0.17 -0.22 0.00 3.58 -1.11 -1.49 116.42 118.44 3hx2 h ASP 128 Ca 0.28 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3hx2 h ASP 128 Cb 0.01 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3hx2 h ASP 128 CO -0.05 0.56 0.09 0.15 -2.88 0.00 0.00 179.24 177.12 3hx2 h PHE 129 N 0.14 0.33 0.44 0.28 -0.00 -0.65 -0.41 116.94 117.07 3hx2 h PHE 129 Ca 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.94 3hx2 h PHE 129 Cb 0.78 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 36.63 3hx2 h PHE 129 CO 0.01 0.36 -0.21 -0.07 -0.00 0.00 0.00 178.31 178.40 3hx2 h LEU 130 N 0.21 -0.50 -0.49 0.59 3.38 -1.14 -1.26 115.31 116.11 3hx2 h LEU 130 Ca 0.07 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3hx2 h LEU 130 Cb 0.17 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 3hx2 h LEU 130 CO -0.01 -0.17 -0.18 -0.33 0.09 0.00 0.00 178.44 177.84 3hx2 h GLU 131 N -0.85 -0.06 -0.51 1.13 5.08 -1.25 0.31 114.58 118.42 3hx2 h GLU 131 Ca -0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3hx2 h GLU 131 Cb 0.56 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3hx2 h GLU 131 CO 0.10 -0.04 -0.06 1.15 -1.00 0.00 0.00 179.01 179.15 3hx2 h THR 132 N -0.07 1.26 0.00 1.13 2.02 -1.08 -3.36 112.91 112.82 3hx2 h THR 132 Ca 0.23 -1.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 3hx2 h THR 132 Cb 0.43 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3hx2 h THR 132 CO -0.54 0.41 -1.41 1.41 0.37 0.00 0.00 175.52 175.76 3hx2 n HIS 133 N -4.17 0.00 -0.05 3.16 8.25 -0.48 -4.92 115.22 117.01 3hx2 n HIS 133 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3hx2 n HIS 133 Cb 0.36 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.98 0.00 0.05 4.41 3.72 0.10 -4.63 117.46 119.14 3hx2 n PHE 134 Ca -0.06 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.23 3hx2 n PHE 134 Cb 0.43 -0.34 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.34 -0.72 -1.49 4.37 3.38 -1.55 -1.58 115.31 117.38 3hx2 h LEU 135 Ca -0.24 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3hx2 h LEU 135 Cb 1.21 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3hx2 h LEU 135 CO -0.15 -0.31 -0.25 -0.78 0.09 0.00 0.00 178.44 177.04 3hx2 h ASP 136 N -0.37 0.00 -0.33 -0.43 -0.00 -1.83 -2.66 116.42 110.79 3hx2 h ASP 136 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 56.96 3hx2 h ASP 136 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 3hx2 h ASP 136 CO -0.23 0.25 -0.31 -0.33 -0.00 0.00 0.00 179.24 178.62 3hx2 h GLU 137 N 0.00 0.80 -0.03 0.28 4.39 -1.70 -2.64 114.58 115.69 3hx2 h GLU 137 Ca -0.00 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 3hx2 h GLU 137 Cb 0.53 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3hx2 h GLU 137 CO 0.03 1.04 -0.00 0.93 -1.16 0.00 0.00 179.01 179.86 3hx2 h GLU 138 N 0.57 0.05 -0.85 2.33 4.39 -1.05 -2.10 114.58 117.92 3hx2 h GLU 138 Ca 0.06 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.81 3hx2 h GLU 138 Cb 0.89 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.47 3hx2 h GLU 138 CO 0.08 0.36 0.51 0.28 -1.16 0.00 0.00 179.01 179.08 3hx2 h VAL 139 N -0.26 0.99 -0.29 3.13 2.07 -1.54 0.13 116.25 120.47 3hx2 h VAL 139 Ca 0.01 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 3hx2 h VAL 139 Cb 0.34 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3hx2 h VAL 139 CO 0.00 0.17 -0.37 0.11 0.02 0.00 0.00 177.57 177.49 3hx2 h LYS 140 N 0.91 0.67 -0.15 1.57 1.57 -1.45 -1.04 116.57 118.65 3hx2 h LYS 140 Ca 0.39 -0.33 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 3hx2 h LYS 140 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3hx2 h LYS 140 CO -0.20 0.94 -0.64 1.25 -0.57 0.00 0.00 179.45 180.22 3hx2 h LEU 141 N 0.56 0.64 -0.48 2.94 5.85 -0.84 -2.55 115.31 121.42 3hx2 h LEU 141 Ca 0.05 -0.38 -0.14 0.00 0.84 0.00 0.00 57.88 58.25 3hx2 h LEU 141 Cb 0.89 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3hx2 h LEU 141 CO 0.08 1.12 -0.27 0.40 -0.34 0.00 0.00 178.44 179.43 3hx2 h ILE 142 N 0.41 1.27 -0.15 4.05 2.04 -0.64 -1.02 117.51 123.46 3hx2 h ILE 142 Ca -0.01 -1.44 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 3hx2 h ILE 142 Cb 1.22 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3hx2 h ILE 142 CO 0.12 0.49 -0.23 0.50 0.00 0.00 0.00 178.15 179.03 3hx2 h LYS 143 N 0.81 0.27 -0.15 2.37 1.63 -1.19 -0.76 116.57 119.56 3hx2 h LYS 143 Ca 0.09 -0.09 -0.16 0.00 -0.85 0.00 0.00 60.65 59.65 3hx2 h LYS 143 Cb 0.85 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 3hx2 h LYS 143 CO 0.08 0.49 -0.59 -0.22 -3.45 0.00 0.00 179.45 175.76 3hx2 h LYS 144 N 0.25 0.48 -0.02 1.90 3.64 -1.07 -2.22 116.57 119.53 3hx2 h LYS 144 Ca 0.04 -0.32 -0.16 0.00 -1.27 0.00 0.00 60.65 58.94 3hx2 h LYS 144 Cb 0.55 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3hx2 h LYS 144 CO 0.04 0.93 -0.74 0.52 -2.27 0.00 0.00 179.45 177.93 3hx2 h MET 145 N 0.36 0.12 -0.02 1.90 2.86 -0.69 -2.42 114.93 117.04 3hx2 h MET 145 Ca -0.00 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.38 3hx2 h MET 145 Cb 1.13 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 3hx2 h MET 145 CO 0.11 0.81 -0.66 0.78 1.06 0.00 0.00 176.91 179.00 3hx2 h GLY 146 N 1.88 0.09 1.93 8.32 0.00 -1.07 -2.21 103.07 112.01 3hx2 h GLY 146 Ca -0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3hx2 h GLY 146 CO 0.11 0.11 -0.60 -0.55 0.00 0.00 0.00 176.54 175.61 3hx2 h ASP 147 N 0.06 0.09 -0.09 0.19 5.19 -1.26 -2.41 116.42 118.19 3hx2 h ASP 147 Ca -0.01 -0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 56.17 3hx2 h ASP 147 Cb 1.17 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.67 3hx2 h ASP 147 CO 0.09 0.67 -0.65 0.45 -3.12 0.00 0.00 179.24 176.68 3hx2 h HIS 148 N 0.06 0.83 -0.40 4.55 3.86 -1.28 -2.81 115.15 119.95 3hx2 h HIS 148 Ca -0.01 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 58.82 3hx2 h HIS 148 Cb 1.08 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 3hx2 h HIS 148 CO 0.01 1.19 0.24 -0.07 0.86 0.00 0.00 177.93 180.15 3hx2 h LEU 149 N 0.23 0.49 -1.31 2.43 3.38 -1.36 0.18 115.31 119.35 3hx2 h LEU 149 Ca -0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hx2 h LEU 149 Cb 1.30 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3hx2 h LEU 149 CO 0.13 0.41 0.39 0.74 0.09 0.00 0.00 178.44 180.21 3hx2 h THR 150 N 0.52 1.18 0.00 0.22 2.02 -1.49 -0.43 112.91 114.94 3hx2 h THR 150 Ca 0.14 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 3hx2 h THR 150 Cb 0.02 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3hx2 h THR 150 CO -0.03 0.18 -0.68 0.78 0.37 0.00 0.00 175.52 176.15 3hx2 h ASN 151 N 0.88 0.00 -0.03 4.18 2.35 -1.19 -2.84 115.58 118.93 3hx2 h ASN 151 Ca 0.23 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3hx2 h ASN 151 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3hx2 h ASN 151 CO -0.05 0.41 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.98 3hx2 h LEU 152 N 0.00 0.14 -1.78 1.61 3.38 -0.03 -2.90 115.31 115.73 3hx2 h LEU 152 Ca -0.04 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 3hx2 h LEU 152 Cb 1.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3hx2 h LEU 152 CO 0.05 0.73 0.05 -0.74 0.09 0.00 0.00 178.44 178.62 3hx2 h HIS 153 N -0.45 0.19 0.00 1.13 2.76 -1.20 -1.26 115.15 116.32 3hx2 h HIS 153 Ca -0.00 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 3hx2 h HIS 153 Cb 0.72 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 3hx2 h HIS 153 CO 0.14 0.16 -0.22 -0.09 -1.30 0.00 0.00 177.93 176.62 3hx2 h ARG 154 N 0.20 0.00 -1.31 5.26 2.43 -1.41 -3.15 114.38 116.39 3hx2 h ARG 154 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hx2 h ARG 154 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3hx2 h ARG 154 CO -0.01 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.95 3hx2 n LEU 155 N -3.55 3.19 0.00 3.80 4.77 -0.48 -4.15 117.00 120.59 3hx2 n LEU 155 Ca -0.01 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 3hx2 n LEU 155 Cb 0.37 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3hx2 n LEU 155 CO 0.33 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3hx2 n GLY 156 N 0.78 0.72 0.00 -0.72 0.00 -1.19 -5.01 105.19 99.78 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 3.82 1.61 3.76 -0.02 0.00 -1.26 -4.93 105.19 108.18 3hx2 n GLY 157 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hx2 n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx2 s PRO 158 N 0.30 -0.04 -0.08 1.61 0.04 -1.26 -4.09 135.00 131.49 3hx2 s PRO 158 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 3hx2 s PRO 158 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3hx2 s PRO 158 CO 0.00 -2.91 0.00 0.39 0.04 0.00 0.00 177.00 174.52 3hx2 n GLU 159 N -4.18 -1.35 0.11 4.56 1.02 -1.26 -4.78 120.64 114.76 3hx2 n GLU 159 Ca 0.13 0.38 0.05 0.00 -0.02 0.00 0.00 57.16 57.69 3hx2 n GLU 159 Cb 0.59 -4.41 0.28 0.00 -0.02 0.00 0.00 31.44 27.89 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx2 n ALA 160 N 1.01 0.73 1.91 0.62 0.00 -1.26 -4.84 120.51 118.68 3hx2 n ALA 160 Ca -0.01 0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.68 3hx2 n ALA 160 Cb 0.35 -0.86 0.91 0.00 0.00 0.00 0.00 19.45 19.85 3hx2 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91