#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 6.10 0.43 -3.46 1.04 -1.26 -5.04 113.70 111.51 3hx2 s SER 3 Ca 0.00 0.01 0.21 0.00 0.48 0.00 0.00 55.95 56.65 3hx2 s SER 3 Cb 0.00 -1.55 0.99 0.00 0.10 0.00 0.00 66.02 65.56 3hx2 s SER 3 CO 0.00 -0.33 1.89 0.06 0.98 0.00 0.00 173.24 175.84 3hx2 h GLN 4 N 0.91 0.00 0.00 4.02 3.07 -1.99 -3.10 115.11 118.02 3hx2 h GLN 4 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3hx2 h GLN 4 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 3hx2 h GLN 4 CO 0.57 0.26 -1.22 0.44 0.09 0.00 0.00 178.83 178.97 3hx2 n ILE 5 N -3.72 0.02 -1.72 1.86 -5.35 -1.26 -4.97 119.36 104.22 3hx2 n ILE 5 Ca -0.01 -0.15 -0.43 0.00 -0.27 0.00 0.00 62.75 61.89 3hx2 n ILE 5 Cb 0.37 0.65 -0.02 0.00 -1.74 0.00 0.00 39.64 38.90 3hx2 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx2 n ARG 6 N -1.73 2.48 -3.43 6.28 0.63 -1.17 -4.84 116.66 114.88 3hx2 n ARG 6 Ca 0.02 0.89 0.01 0.00 -0.92 0.00 0.00 57.85 57.85 3hx2 n ARG 6 Cb 0.40 -2.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.64 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 -0.31 0.39 -1.07 -0.14 0.74 -1.26 -4.94 119.66 113.07 3hx2 s GLN 7 Ca 0.67 0.93 0.00 0.00 0.05 0.00 0.00 55.36 57.01 3hx2 s GLN 7 Cb -0.55 0.56 0.00 0.00 1.10 0.00 0.00 33.01 34.12 3hx2 s GLN 7 CO 0.47 -0.19 0.00 -1.71 -0.55 0.00 0.00 175.29 173.31 3hx2 n ASN 8 N 5.20 -3.96 -4.03 6.67 5.15 -1.26 -4.99 115.26 118.04 3hx2 n ASN 8 Ca -0.09 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.57 3hx2 n ASN 8 Cb 0.51 -3.13 -0.14 0.00 -0.53 0.00 0.00 39.78 36.50 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 -2.61 3.58 0.31 1.20 5.04 -1.26 -4.81 117.35 118.79 3hx2 s TYR 9 Ca 0.00 -2.91 -0.29 0.00 -2.44 0.00 0.00 57.07 51.43 3hx2 s TYR 9 Cb 0.00 -2.99 -0.10 0.00 0.35 0.00 0.00 41.96 39.22 3hx2 s TYR 9 CO 0.00 -0.90 1.42 -1.54 -1.34 0.00 0.00 175.55 173.19 3hx2 s SER 10 N 0.80 6.60 0.33 4.32 1.04 -1.26 -4.89 113.70 120.64 3hx2 s SER 10 Ca 0.12 2.78 0.23 0.00 0.48 0.00 0.00 55.95 59.57 3hx2 s SER 10 Cb -0.21 -2.64 1.21 0.00 0.10 0.00 0.00 66.02 64.47 3hx2 s SER 10 CO -0.05 -0.70 1.70 0.71 0.98 0.00 0.00 173.24 175.87 3hx2 h THR 11 N 3.24 0.00 0.01 2.02 1.35 -1.99 -1.39 112.91 116.15 3hx2 h THR 11 Ca -0.48 -0.03 -0.15 0.00 -0.55 0.00 0.00 66.41 65.20 3hx2 h THR 11 Cb 1.23 0.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.22 3hx2 h THR 11 CO 0.71 0.00 -0.58 0.44 -0.25 0.00 0.00 175.52 175.83 3hx2 h ASP 12 N 0.00 0.50 -0.22 5.36 3.45 -1.99 -2.81 116.42 120.71 3hx2 h ASP 12 Ca 0.00 -0.78 -0.16 0.00 0.43 0.00 0.00 57.03 56.53 3hx2 h ASP 12 Cb 0.04 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 3hx2 h ASP 12 CO 0.00 1.21 -0.44 0.58 -1.57 0.00 0.00 179.24 179.02 3hx2 h VAL 13 N -0.16 1.29 -0.24 -1.35 2.07 -1.67 -1.63 116.25 114.55 3hx2 h VAL 13 Ca -0.08 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 65.87 3hx2 h VAL 13 Cb 1.31 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.55 3hx2 h VAL 13 CO 0.11 0.53 -0.08 -0.08 0.02 0.00 0.00 177.57 178.07 3hx2 h GLU 14 N 0.63 -0.03 0.00 1.57 4.81 -1.42 0.27 114.58 120.41 3hx2 h GLU 14 Ca 0.04 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3hx2 h GLU 14 Cb 1.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3hx2 h GLU 14 CO 0.10 -0.02 -0.29 0.00 -0.73 0.00 0.00 179.01 178.06 3hx2 h ALA 15 N 1.20 0.98 -0.18 2.92 0.00 -1.47 -1.79 119.26 120.91 3hx2 h ALA 15 Ca 0.12 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3hx2 h ALA 15 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hx2 h ALA 15 CO -0.27 0.37 -0.57 0.00 0.00 0.00 0.00 179.25 178.78 3hx2 h ALA 16 N 1.71 0.66 -0.16 0.00 0.00 -0.23 -2.13 119.26 119.10 3hx2 h ALA 16 Ca -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3hx2 h ALA 16 Cb 0.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hx2 h ALA 16 CO 0.04 0.69 -0.14 0.28 0.00 0.00 0.00 179.25 180.12 3hx2 h VAL 17 N 0.44 1.34 -0.21 0.00 2.07 -0.22 -0.85 116.25 118.81 3hx2 h VAL 17 Ca 0.00 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 3hx2 h VAL 17 Cb 1.12 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 3hx2 h VAL 17 CO 0.11 0.38 0.11 0.78 0.02 0.00 0.00 177.57 178.97 3hx2 h ASN 18 N 0.03 0.25 -0.16 0.57 2.35 -1.30 0.73 115.58 118.06 3hx2 h ASN 18 Ca 0.03 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 3hx2 h ASN 18 Cb 0.66 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3hx2 h ASN 18 CO 0.04 0.21 -0.44 -1.28 -1.65 0.00 0.00 177.43 174.31 3hx2 h SER 19 N 0.29 0.66 0.15 5.81 0.87 -1.20 -2.76 113.55 117.37 3hx2 h SER 19 Ca 0.08 -0.59 -0.06 0.00 -1.23 0.00 0.00 61.79 59.99 3hx2 h SER 19 Cb 0.02 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3hx2 h SER 19 CO -0.01 1.13 -0.24 0.25 -0.53 0.00 0.00 176.83 177.43 3hx2 h LEU 20 N 0.23 0.15 -0.08 2.23 5.85 -0.40 -1.38 115.31 121.91 3hx2 h LEU 20 Ca -0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hx2 h LEU 20 Cb 1.06 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 3hx2 h LEU 20 CO 0.09 0.40 0.03 0.58 -0.34 0.00 0.00 178.44 179.20 3hx2 h VAL 21 N 0.15 1.16 0.00 1.05 2.07 -0.79 -0.41 116.25 119.48 3hx2 h VAL 21 Ca 0.03 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3hx2 h VAL 21 Cb 0.50 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3hx2 h VAL 21 CO 0.03 0.14 -0.25 -1.13 0.02 0.00 0.00 177.57 176.38 3hx2 h ASN 22 N -0.04 0.00 0.26 0.57 -0.73 -1.18 0.30 115.58 114.76 3hx2 h ASN 22 Ca 0.03 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.08 3hx2 h ASN 22 Cb 0.19 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 3hx2 h ASN 22 CO -0.00 0.25 -0.46 0.25 -0.37 0.00 0.00 177.43 177.10 3hx2 h LEU 23 N 0.00 0.27 0.12 0.34 5.85 -0.78 -1.83 115.31 119.28 3hx2 h LEU 23 Ca -0.00 -0.13 -0.27 0.00 0.84 0.00 0.00 57.88 58.32 3hx2 h LEU 23 Cb 0.45 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hx2 h LEU 23 CO 0.03 0.70 -1.23 1.88 -0.34 0.00 0.00 178.44 179.48 3hx2 h TYR 24 N 0.21 0.48 -0.09 1.25 -1.99 -0.06 -2.46 116.97 114.31 3hx2 h TYR 24 Ca 0.01 -0.35 -0.04 0.00 2.00 0.00 0.00 58.73 60.35 3hx2 h TYR 24 Cb 0.90 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.60 3hx2 h TYR 24 CO 0.02 1.27 -0.13 -0.07 -0.00 0.00 0.00 178.16 179.25 3hx2 h LEU 25 N 0.07 0.13 0.63 3.88 3.38 -0.88 -0.77 115.31 121.75 3hx2 h LEU 25 Ca -0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3hx2 h LEU 25 Cb 1.96 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.69 3hx2 h LEU 25 CO 0.20 0.28 -0.30 -0.61 0.09 0.00 0.00 178.44 178.10 3hx2 h GLN 26 N 0.13 -0.82 -1.00 1.13 5.75 -1.27 -2.11 115.11 116.93 3hx2 h GLN 26 Ca 0.03 0.06 0.19 0.00 -0.15 0.00 0.00 58.65 58.78 3hx2 h GLN 26 Cb 0.32 0.19 -0.10 0.00 1.07 0.00 0.00 27.48 28.96 3hx2 h GLN 26 CO 0.02 -0.55 0.61 0.00 -2.65 0.00 0.00 178.83 176.27 3hx2 h ALA 27 N -1.54 1.76 -0.39 3.38 0.00 -1.10 0.11 119.26 121.48 3hx2 h ALA 27 Ca -0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hx2 h ALA 27 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hx2 h ALA 27 CO 0.14 -0.13 0.23 1.03 0.00 0.00 0.00 179.25 180.52 3hx2 h SER 28 N 0.71 0.48 -0.43 0.00 0.87 -1.07 -1.64 113.55 112.47 3hx2 h SER 28 Ca 0.57 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 3hx2 h SER 28 Cb 0.96 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 3hx2 h SER 28 CO -0.35 0.41 0.23 0.22 -0.53 0.00 0.00 176.83 176.80 3hx2 h TYR 29 N 0.51 0.59 -0.36 2.24 3.20 -0.13 -1.65 116.97 121.37 3hx2 h TYR 29 Ca 0.14 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.04 3hx2 h TYR 29 Cb 0.02 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 3hx2 h TYR 29 CO -0.03 0.46 0.10 1.15 -1.64 0.00 0.00 178.16 178.19 3hx2 h THR 30 N 0.56 0.85 0.00 1.81 2.02 -0.89 -1.99 112.91 115.26 3hx2 h THR 30 Ca 0.15 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 3hx2 h THR 30 Cb 0.06 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3hx2 h THR 30 CO -0.02 0.04 -0.31 1.88 0.37 0.00 0.00 175.52 177.48 3hx2 h TYR 31 N 0.23 0.00 -0.45 3.16 0.05 -1.07 -0.67 116.97 118.23 3hx2 h TYR 31 Ca 0.17 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.88 3hx2 h TYR 31 Cb 0.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3hx2 h TYR 31 CO -0.17 0.31 0.02 1.25 -1.05 0.00 0.00 178.16 178.51 3hx2 h LEU 32 N 0.00 0.76 -0.16 3.88 5.85 -0.61 0.47 115.31 125.49 3hx2 h LEU 32 Ca -0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3hx2 h LEU 32 Cb 0.63 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3hx2 h LEU 32 CO 0.04 0.87 0.01 -1.28 -0.34 0.00 0.00 178.44 177.74 3hx2 h SER 33 N 0.62 0.26 -0.90 1.25 0.87 -0.95 -2.40 113.55 112.29 3hx2 h SER 33 Ca 0.13 -0.29 0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3hx2 h SER 33 Cb 0.47 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 3hx2 h SER 33 CO 0.02 0.48 0.56 -0.07 -0.53 0.00 0.00 176.83 177.29 3hx2 h LEU 34 N 0.03 0.85 -0.10 2.23 3.38 -1.02 -1.74 115.31 118.94 3hx2 h LEU 34 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hx2 h LEU 34 Cb 0.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hx2 h LEU 34 CO 0.01 0.51 0.02 1.23 0.09 0.00 0.00 178.44 180.30 3hx2 h GLY 35 N 0.97 0.19 1.73 0.83 0.00 -0.69 -3.03 103.07 103.06 3hx2 h GLY 35 Ca 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3hx2 h GLY 35 CO -0.21 0.11 0.00 0.69 0.00 0.00 0.00 176.54 177.13 3hx2 n PHE 36 N -4.85 0.00 -0.04 5.60 3.01 -0.92 -3.17 117.46 117.08 3hx2 n PHE 36 Ca -0.06 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.27 3hx2 n PHE 36 Cb 0.17 -0.36 -0.11 0.00 -0.01 0.00 0.00 39.48 39.16 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 -0.01 0.00 1.38 3.20 -1.20 -3.15 116.97 117.19 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 0.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3hx2 h TYR 37 CO 0.00 0.73 0.00 1.19 -1.64 0.00 0.00 178.16 178.44 3hx2 n PHE 38 N -4.73 0.00 0.91 -3.82 3.72 -1.18 -1.83 117.46 110.53 3hx2 n PHE 38 Ca -0.09 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.40 3hx2 n PHE 38 Cb 0.37 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.66 1.03 -4.77 4.37 -0.08 -1.19 -1.69 116.55 113.56 3hx2 n ASP 39 Ca 0.05 -1.01 -0.40 0.00 -1.51 0.00 0.00 54.79 51.92 3hx2 n ASP 39 Cb 0.02 0.94 -0.01 0.00 2.34 0.00 0.00 41.12 44.42 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 -2.76 4.05 0.60 -0.67 0.52 -0.76 -4.75 118.95 115.17 3hx2 s ARG 40 Ca 0.08 2.25 0.34 0.00 -0.52 0.00 0.00 55.73 57.89 3hx2 s ARG 40 Cb 0.15 -2.85 1.91 0.00 0.52 0.00 0.00 34.95 34.68 3hx2 s ARG 40 CO 0.76 -0.46 2.23 0.38 0.02 0.00 0.00 175.30 178.23 3hx2 h ASP 41 N 2.85 0.00 0.32 0.23 2.03 -1.93 0.41 116.42 120.34 3hx2 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx2 h ASP 41 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3hx2 h ASP 41 CO 0.63 0.03 -0.17 -0.90 -1.03 0.00 0.00 179.24 177.80 3hx2 n ASP 42 N -3.50 0.69 -0.07 4.15 3.85 -1.26 -4.09 116.55 116.33 3hx2 n ASP 42 Ca -0.02 -0.68 -0.13 0.00 -0.71 0.00 0.00 54.79 53.24 3hx2 n ASP 42 Cb 0.13 0.01 -0.05 0.00 -1.35 0.00 0.00 41.12 39.86 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 -0.85 0.72 -4.08 2.12 0.31 -0.23 -5.06 118.33 111.26 3hx2 n VAL 43 Ca 0.13 -0.19 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 3hx2 n VAL 43 Cb 0.31 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 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 -3.50 -2.21 -3.87 3.52 0.00 0.13 -4.96 120.51 109.62 3hx2 n ALA 44 Ca -0.25 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.51 3hx2 n ALA 44 Cb 0.69 -1.81 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 3hx2 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx2 s LEU 45 N -7.17 4.50 0.27 0.00 1.43 -0.68 -4.96 118.68 112.07 3hx2 s LEU 45 Ca 0.17 -3.68 0.00 0.00 -1.03 0.00 0.00 54.13 49.60 3hx2 s LEU 45 Cb -0.08 -1.55 0.54 0.00 0.03 0.00 0.00 46.19 45.13 3hx2 s LEU 45 CO 0.94 -0.11 1.81 -0.08 0.23 0.00 0.00 176.35 179.14 3hx2 h GLU 46 N 5.58 0.84 -0.02 1.70 4.81 -1.93 0.61 114.58 126.16 3hx2 h GLU 46 Ca 0.12 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hx2 h GLU 46 Cb 0.78 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3hx2 h GLU 46 CO 0.69 0.55 0.01 0.78 -0.73 0.00 0.00 179.01 180.31 3hx2 h GLY 47 N 0.86 0.03 1.14 1.92 0.00 -1.93 -0.77 103.07 104.32 3hx2 h GLY 47 Ca 0.48 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.70 3hx2 h GLY 47 CO -0.29 0.01 -0.03 -2.08 0.00 0.00 0.00 176.54 174.15 3hx2 h VAL 48 N -0.05 1.26 -0.86 4.60 2.07 -1.84 -2.02 116.25 119.42 3hx2 h VAL 48 Ca 0.01 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.38 3hx2 h VAL 48 Cb 0.07 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3hx2 h VAL 48 CO -0.00 0.42 0.57 -1.28 0.02 0.00 0.00 177.57 177.29 3hx2 h SER 49 N 0.93 0.97 -0.03 0.57 0.87 -0.70 -2.18 113.55 113.99 3hx2 h SER 49 Ca 0.16 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hx2 h SER 49 Cb 0.57 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3hx2 h SER 49 CO 0.03 0.70 0.01 -0.74 -0.53 0.00 0.00 176.83 176.30 3hx2 h HIS 50 N 1.15 0.04 -0.58 2.24 6.17 -0.91 -2.25 115.15 121.01 3hx2 h HIS 50 Ca 0.32 -0.00 0.12 0.00 0.71 0.00 0.00 60.37 61.51 3hx2 h HIS 50 Cb -0.11 -0.01 -0.10 0.00 2.52 0.00 0.00 27.41 29.70 3hx2 h HIS 50 CO -0.01 0.22 -0.07 0.35 0.71 0.00 0.00 177.93 179.13 3hx2 h PHE 51 N -0.15 -0.17 -0.05 5.26 3.57 -0.94 0.19 116.94 124.65 3hx2 h PHE 51 Ca 0.01 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3hx2 h PHE 51 Cb 0.20 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3hx2 h PHE 51 CO -0.01 -0.20 -0.49 0.74 -2.23 0.00 0.00 178.31 176.12 3hx2 h PHE 52 N 0.06 0.15 -0.11 0.41 0.05 -1.36 -2.54 116.94 113.60 3hx2 h PHE 52 Ca 0.29 -0.05 -0.12 0.00 3.82 0.00 0.00 57.97 61.91 3hx2 h PHE 52 Cb 0.45 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 3hx2 h PHE 52 CO -0.41 0.59 -0.46 0.00 -0.18 0.00 0.00 178.31 177.85 3hx2 h ARG 53 N 0.10 0.26 -0.01 1.51 3.08 -0.51 -1.80 114.38 117.02 3hx2 h ARG 53 Ca 0.00 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3hx2 h ARG 53 Cb 0.91 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3hx2 h ARG 53 CO 0.07 0.68 0.00 0.93 -1.07 0.00 0.00 179.97 180.58 3hx2 h GLU 54 N 0.22 0.01 0.00 0.04 5.08 -0.74 -2.47 114.58 116.72 3hx2 h GLU 54 Ca 0.01 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3hx2 h GLU 54 Cb 0.90 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3hx2 h GLU 54 CO 0.07 0.24 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.05 3hx2 h LEU 55 N -0.23 0.00 -1.43 1.33 3.38 -1.39 -1.09 115.31 115.88 3hx2 h LEU 55 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hx2 h LEU 55 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3hx2 h LEU 55 CO 0.00 0.21 -0.23 0.00 0.09 0.00 0.00 178.44 178.51 3hx2 h ALA 56 N 1.79 1.53 0.00 1.53 0.00 -1.00 -0.77 119.26 122.34 3hx2 h ALA 56 Ca -0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 3hx2 h ALA 56 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hx2 h ALA 56 CO 0.03 0.35 -1.36 1.49 0.00 0.00 0.00 179.25 179.76 3hx2 h GLU 57 N 0.08 0.01 -0.17 0.00 4.57 -0.87 -3.08 114.58 115.12 3hx2 h GLU 57 Ca 0.01 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 3hx2 h GLU 57 Cb 0.46 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3hx2 h GLU 57 CO 0.03 0.76 -0.44 0.93 -1.18 0.00 0.00 179.01 179.11 3hx2 h GLU 58 N 0.00 0.42 -0.03 1.92 5.08 -0.69 -1.32 114.58 119.97 3hx2 h GLU 58 Ca -0.15 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 57.85 3hx2 h GLU 58 Cb 1.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 3hx2 h GLU 58 CO 0.11 0.79 -0.62 0.87 -1.00 0.00 0.00 179.01 179.16 3hx2 h LYS 59 N 0.35 0.13 -0.20 2.33 1.79 -1.25 -1.51 116.57 118.20 3hx2 h LYS 59 Ca 0.03 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 3hx2 h LYS 59 Cb 0.92 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 3hx2 h LYS 59 CO 0.08 0.70 -0.01 -0.09 -1.08 0.00 0.00 179.45 179.04 3hx2 h ARG 60 N 0.09 0.36 0.00 3.15 2.43 -1.37 -1.48 114.38 117.57 3hx2 h ARG 60 Ca -0.01 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3hx2 h ARG 60 Cb 1.11 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3hx2 h ARG 60 CO 0.09 0.58 -0.13 0.93 -1.51 0.00 0.00 179.97 179.93 3hx2 h GLU 61 N 0.11 0.00 0.03 0.20 5.08 -1.15 -1.07 114.58 117.78 3hx2 h GLU 61 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hx2 h GLU 61 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hx2 h GLU 61 CO 0.01 0.13 -0.01 0.78 -1.00 0.00 0.00 179.01 178.92 3hx2 h GLY 62 N 0.86 -0.04 2.00 -3.84 0.00 -0.69 -0.77 103.07 100.59 3hx2 h GLY 62 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3hx2 h GLY 62 CO 0.02 -0.01 -0.16 0.10 0.00 0.00 0.00 176.54 176.48 3hx2 h TYR 63 N -0.57 0.00 -0.06 5.60 -0.00 -0.98 -1.53 116.97 119.43 3hx2 h TYR 63 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.54 3hx2 h TYR 63 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.26 3hx2 h TYR 63 CO 0.11 0.16 -0.77 0.93 -0.00 0.00 0.00 178.16 178.58 3hx2 h GLU 64 N 0.00 0.38 -0.19 0.10 5.08 -1.15 -0.02 114.58 118.78 3hx2 h GLU 64 Ca -0.00 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 57.88 3hx2 h GLU 64 Cb 0.71 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3hx2 h GLU 64 CO 0.02 0.98 -0.50 -0.09 -1.00 0.00 0.00 179.01 178.42 3hx2 h ARG 65 N 0.25 0.51 -0.08 2.33 2.43 -0.69 -1.95 114.38 117.18 3hx2 h ARG 65 Ca -0.04 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 3hx2 h ARG 65 Cb 1.36 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3hx2 h ARG 65 CO 0.13 0.90 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.39 3hx2 h LEU 66 N 0.40 0.16 -1.75 3.80 3.38 -1.10 -2.09 115.31 118.11 3hx2 h LEU 66 Ca 0.02 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3hx2 h LEU 66 Cb 1.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3hx2 h LEU 66 CO 0.09 0.51 -0.04 -0.07 0.09 0.00 0.00 178.44 179.02 3hx2 h LEU 67 N -0.20 0.09 -0.09 1.67 3.38 -0.95 -0.75 115.31 118.46 3hx2 h LEU 67 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hx2 h LEU 67 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hx2 h LEU 67 CO 0.01 0.16 -0.06 0.50 0.09 0.00 0.00 178.44 179.14 3hx2 h LYS 68 N 0.10 0.20 -0.69 1.13 1.63 -1.24 -2.95 116.57 114.75 3hx2 h LYS 68 Ca 0.02 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 3hx2 h LYS 68 Cb 0.15 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3hx2 h LYS 68 CO 0.01 0.58 0.36 1.98 -3.45 0.00 0.00 179.45 178.92 3hx2 h MET 69 N -0.18 0.96 0.04 1.90 4.05 -0.93 -2.57 114.93 118.21 3hx2 h MET 69 Ca 0.02 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3hx2 h MET 69 Cb 0.52 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 3hx2 h MET 69 CO 0.02 0.72 -0.20 0.37 0.23 0.00 0.00 176.91 178.05 3hx2 h GLN 70 N 0.97 -0.33 -0.16 0.39 5.75 -1.07 -2.04 115.11 118.61 3hx2 h GLN 70 Ca 0.24 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.71 3hx2 h GLN 70 Cb 0.06 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3hx2 h GLN 70 CO -0.04 -0.22 -0.13 -0.91 -2.65 0.00 0.00 178.83 174.88 3hx2 h ASN 71 N -0.34 0.24 -0.47 -0.69 4.21 -1.34 -0.85 115.58 116.33 3hx2 h ASN 71 Ca 0.05 -0.05 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 3hx2 h ASN 71 Cb 0.40 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 3hx2 h ASN 71 CO -0.16 0.40 -0.10 1.56 -1.29 0.00 0.00 177.43 177.84 3hx2 h GLN 72 N 0.24 0.94 0.00 0.81 4.20 -1.04 -2.91 115.11 117.36 3hx2 h GLN 72 Ca 0.05 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3hx2 h GLN 72 Cb 0.39 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3hx2 h GLN 72 CO 0.02 0.99 0.00 0.54 -0.67 0.00 0.00 178.83 179.71 3hx2 n ARG 73 N -4.15 0.21 0.00 1.46 5.12 -0.81 -4.90 116.66 113.58 3hx2 n ARG 73 Ca 0.02 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 3hx2 n ARG 73 Cb 0.39 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 1.30 0.54 3.59 -0.13 0.00 -1.08 -4.00 105.19 105.40 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 -1.81 1.58 -0.09 -0.02 0.00 -0.35 -4.67 107.32 101.95 3hx2 s GLY 75 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3hx2 s GLY 75 CO 0.00 0.53 -0.17 0.50 0.00 0.00 0.00 173.10 173.96 3hx2 s ARG 76 N -4.67 2.31 -0.07 2.90 1.81 -1.26 -4.25 118.95 115.71 3hx2 s ARG 76 Ca 0.67 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 53.77 3hx2 s ARG 76 Cb -0.22 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.38 3hx2 s ARG 76 CO 0.61 0.03 1.21 0.00 -0.68 0.00 0.00 175.30 176.47 3hx2 s ALA 77 N 0.70 3.52 -0.16 2.13 0.00 -1.26 -4.97 121.76 121.72 3hx2 s ALA 77 Ca -0.13 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3hx2 s ALA 77 Cb -0.16 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.45 3hx2 s ALA 77 CO 0.03 -0.81 -0.17 -0.51 0.00 0.00 0.00 175.76 174.30 3hx2 s LEU 78 N 2.37 1.87 -0.12 0.00 1.43 -1.26 -5.12 118.68 117.84 3hx2 s LEU 78 Ca 0.56 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 3hx2 s LEU 78 Cb -0.24 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3hx2 s LEU 78 CO 0.21 -0.02 0.18 -0.36 0.23 0.00 0.00 176.35 176.59 3hx2 s PHE 79 N 1.34 3.58 0.52 0.29 0.08 -1.26 -4.89 117.98 117.66 3hx2 s PHE 79 Ca 0.04 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.70 3hx2 s PHE 79 Cb -0.13 -2.04 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3hx2 s PHE 79 CO -0.10 0.64 0.35 -0.65 -0.10 0.00 0.00 175.22 175.35 3hx2 s GLN 80 N -0.76 2.26 0.57 0.44 -1.52 -1.26 -5.10 119.66 114.29 3hx2 s GLN 80 Ca 0.15 -2.02 -0.19 0.00 -1.95 0.00 0.00 55.36 51.36 3hx2 s GLN 80 Cb -0.13 -2.05 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 3hx2 s GLN 80 CO 0.04 -0.54 1.15 -0.51 -0.25 0.00 0.00 175.29 175.18 3hx2 s ASP 81 N -4.21 5.48 -0.34 5.90 -0.00 -1.26 -4.99 116.67 117.25 3hx2 s ASP 81 Ca 0.33 2.21 -0.13 0.00 -0.00 0.00 0.00 52.55 54.95 3hx2 s ASP 81 Cb -0.01 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 3hx2 s ASP 81 CO 0.20 -1.39 0.26 -0.63 -0.00 0.00 0.00 175.17 173.62 3hx2 s ILE 82 N -1.81 5.27 0.17 0.77 1.01 -1.26 -5.06 121.20 120.29 3hx2 s ILE 82 Ca 0.73 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 3hx2 s ILE 82 Cb -0.25 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3hx2 s ILE 82 CO 0.31 -0.03 1.28 -0.54 0.00 0.00 0.00 174.94 175.96 3hx2 s LYS 83 N 1.77 4.41 0.76 2.79 1.02 -1.26 -5.00 119.74 124.24 3hx2 s LYS 83 Ca 0.07 1.98 -0.14 0.00 0.02 0.00 0.00 55.97 57.90 3hx2 s LYS 83 Cb -0.17 -3.22 0.06 0.00 -0.52 0.00 0.00 37.83 33.97 3hx2 s LYS 83 CO 0.11 -0.23 1.19 -1.59 -0.92 0.00 0.00 175.35 173.91 3hx2 s LYS 84 N 0.08 1.97 0.80 1.68 -2.85 -1.26 -4.89 119.74 115.27 3hx2 s LYS 84 Ca 0.57 1.70 -0.14 0.00 -1.00 0.00 0.00 55.97 57.09 3hx2 s LYS 84 Cb -0.35 -1.82 0.04 0.00 -2.06 0.00 0.00 37.83 33.65 3hx2 s LYS 84 CO 0.36 -1.95 0.93 -2.30 0.10 0.00 0.00 175.35 172.50 3hx2 n PRO 85 N -2.99 0.17 -0.02 1.78 -0.02 -1.26 -4.92 135.00 127.74 3hx2 n PRO 85 Ca 0.13 0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 3hx2 n PRO 85 Cb 0.51 -2.21 0.40 0.00 -0.02 0.00 0.00 33.50 32.18 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 -0.83 1.67 -1.20 3.55 0.00 -1.97 -3.45 119.26 117.03 3hx2 h ALA 86 Ca -0.46 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 53.80 3hx2 h ALA 86 Cb 1.31 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 3hx2 h ALA 86 CO 0.44 0.30 -0.55 -1.21 0.00 0.00 0.00 179.25 178.22 3hx2 s GLU 87 N -5.51 2.00 0.00 0.00 0.41 -1.26 -5.04 118.70 109.30 3hx2 s GLU 87 Ca -0.08 -2.21 0.00 0.00 -0.41 0.00 0.00 54.97 52.27 3hx2 s GLU 87 Cb 0.17 -1.30 0.00 0.00 -1.78 0.00 0.00 34.13 31.23 3hx2 s GLU 87 CO 0.74 -0.27 0.00 -0.25 -0.49 0.00 0.00 175.26 174.99 3hx2 n ASP 88 N -1.10 2.67 -3.78 -0.19 8.00 -1.26 -4.98 116.55 115.91 3hx2 n ASP 88 Ca -0.10 -0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.07 3hx2 n ASP 88 Cb 0.67 0.92 -0.15 0.00 -0.02 0.00 0.00 41.12 42.53 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 -1.45 0.04 0.00 -1.24 2.02 -1.26 -5.01 118.70 111.80 3hx2 s GLU 89 Ca 0.00 0.24 0.20 0.00 0.02 0.00 0.00 54.97 55.44 3hx2 s GLU 89 Cb 0.00 -0.16 0.43 0.00 0.10 0.00 0.00 34.13 34.50 3hx2 s GLU 89 CO 0.00 -0.13 1.37 0.91 0.02 0.00 0.00 175.26 177.42 3hx2 n TRP 90 N 3.95 0.57 -4.28 1.61 7.02 -1.26 -5.08 117.44 119.96 3hx2 n TRP 90 Ca -0.24 -0.33 0.00 0.00 -1.02 0.00 0.00 57.50 55.91 3hx2 n TRP 90 Cb 0.53 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 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 1.32 -0.06 3.90 6.99 0.00 -1.26 -3.56 105.19 112.53 3hx2 n GLY 91 Ca 0.18 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 2.68 0.21 1.61 1.02 -1.26 -4.82 119.74 119.18 3hx2 s LYS 92 Ca 0.00 0.15 -0.18 0.00 0.02 0.00 0.00 55.97 55.96 3hx2 s LYS 92 Cb 0.00 -2.12 0.20 0.00 -0.52 0.00 0.00 37.83 35.39 3hx2 s LYS 92 CO 0.00 -1.01 1.57 1.15 -0.92 0.00 0.00 175.35 176.14 3hx2 h THR 93 N -0.52 0.10 0.00 2.17 2.02 -2.00 0.20 112.91 114.87 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 1.27 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3hx2 h THR 93 CO 0.62 0.00 -0.07 -0.65 0.37 0.00 0.00 175.52 175.79 3hx2 h PRO 94 N -0.08 0.00 -0.53 6.66 0.11 -1.95 -0.76 132.00 135.46 3hx2 h PRO 94 Ca 0.30 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.30 3hx2 h PRO 94 Cb 0.58 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 3hx2 h PRO 94 CO -0.83 0.07 -0.10 -0.44 -0.21 0.00 0.00 178.00 176.49 3hx2 h ASP 95 N 0.00 1.00 -0.16 -2.05 3.45 -1.24 -1.94 116.42 115.47 3hx2 h ASP 95 Ca -0.00 -0.35 -0.22 0.00 0.43 0.00 0.00 57.03 56.89 3hx2 h ASP 95 Cb 0.13 -0.27 0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3hx2 h ASP 95 CO 0.01 1.11 -0.74 0.00 -1.57 0.00 0.00 179.24 178.05 3hx2 h ALA 96 N 0.92 0.34 -0.28 3.45 0.00 -0.91 -2.84 119.26 119.94 3hx2 h ALA 96 Ca 0.14 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3hx2 h ALA 96 Cb 0.66 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hx2 h ALA 96 CO 0.05 0.69 -0.08 1.98 0.00 0.00 0.00 179.25 181.88 3hx2 h MET 97 N 0.56 0.46 -0.03 0.00 -1.53 -1.09 -1.23 114.93 112.07 3hx2 h MET 97 Ca -0.04 -0.11 -0.15 0.00 -3.44 0.00 0.00 59.70 55.96 3hx2 h MET 97 Cb 1.37 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 32.34 3hx2 h MET 97 CO 0.15 0.55 -0.66 0.87 0.14 0.00 0.00 176.91 177.96 3hx2 h LYS 98 N 0.43 0.14 -0.34 0.39 1.57 -1.35 0.48 116.57 117.89 3hx2 h LYS 98 Ca 0.09 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 3hx2 h LYS 98 Cb 0.41 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3hx2 h LYS 98 CO 0.02 0.75 -0.38 0.00 -0.57 0.00 0.00 179.45 179.26 3hx2 h ALA 99 N 1.22 0.69 -0.16 3.86 0.00 -1.17 -2.07 119.26 121.63 3hx2 h ALA 99 Ca -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3hx2 h ALA 99 Cb 1.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hx2 h ALA 99 CO 0.10 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 3hx2 h ALA 100 N 0.90 0.23 -0.99 0.00 0.00 -1.06 -1.10 119.26 117.24 3hx2 h ALA 100 Ca 0.06 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.83 3hx2 h ALA 100 Cb 0.94 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 3hx2 h ALA 100 CO 0.09 0.01 0.61 1.98 0.00 0.00 0.00 179.25 181.94 3hx2 h MET 101 N 0.01 0.91 -0.29 0.00 -1.53 -0.83 -0.49 114.93 112.71 3hx2 h MET 101 Ca 0.04 -0.05 -0.12 0.00 -3.44 0.00 0.00 59.70 56.13 3hx2 h MET 101 Cb 0.52 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 3hx2 h MET 101 CO 0.02 0.60 -0.27 0.00 0.14 0.00 0.00 176.91 177.41 3hx2 h ALA 102 N 1.55 0.43 -0.79 0.39 0.00 -1.17 -1.90 119.26 117.78 3hx2 h ALA 102 Ca 0.50 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hx2 h ALA 102 Cb 0.54 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hx2 h ALA 102 CO -0.28 0.43 0.52 1.25 0.00 0.00 0.00 179.25 181.16 3hx2 h LEU 103 N 0.44 0.90 -0.69 0.00 5.85 -0.21 -0.39 115.31 121.21 3hx2 h LEU 103 Ca 0.05 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3hx2 h LEU 103 Cb 0.83 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3hx2 h LEU 103 CO 0.07 0.65 -0.62 -0.33 -0.34 0.00 0.00 178.44 177.87 3hx2 h GLU 104 N 1.06 0.12 -0.26 1.25 4.39 -1.09 -1.09 114.58 118.97 3hx2 h GLU 104 Ca 0.29 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 3hx2 h GLU 104 Cb -0.12 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3hx2 h GLU 104 CO -0.06 0.70 -0.52 0.87 -1.16 0.00 0.00 179.01 178.84 3hx2 h LYS 105 N 0.09 0.73 -0.46 2.33 1.57 -0.90 0.99 116.57 120.93 3hx2 h LYS 105 Ca -0.01 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 3hx2 h LYS 105 Cb 1.12 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3hx2 h LYS 105 CO 0.09 1.07 0.03 -0.22 -0.57 0.00 0.00 179.45 179.85 3hx2 h LYS 106 N 0.57 0.79 -0.47 3.15 3.64 -0.93 -1.79 116.57 121.54 3hx2 h LYS 106 Ca 0.02 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.03 3hx2 h LYS 106 Cb 1.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3hx2 h LYS 106 CO 0.11 0.83 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.84 3hx2 h LEU 107 N 0.64 1.00 -1.44 5.20 3.38 -1.11 -1.96 115.31 121.02 3hx2 h LEU 107 Ca 0.13 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3hx2 h LEU 107 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3hx2 h LEU 107 CO 0.02 1.18 0.39 -1.13 0.09 0.00 0.00 178.44 178.99 3hx2 h ASN 108 N 0.82 0.64 0.24 -0.43 -1.24 -0.64 -1.88 115.58 113.09 3hx2 h ASN 108 Ca 0.11 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 3hx2 h ASN 108 Cb 0.79 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.69 3hx2 h ASN 108 CO 0.07 0.46 -0.11 -0.61 -1.29 0.00 0.00 177.43 175.94 3hx2 h GLN 109 N 0.75 -0.31 -0.95 6.67 5.75 -1.01 -1.17 115.11 124.85 3hx2 h GLN 109 Ca 0.23 0.02 0.24 0.00 -0.15 0.00 0.00 58.65 58.99 3hx2 h GLN 109 Cb -0.01 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 3hx2 h GLN 109 CO -0.06 0.03 0.64 0.00 -2.65 0.00 0.00 178.83 176.79 3hx2 h ALA 110 N -0.08 2.40 -0.10 3.38 0.00 -1.01 0.29 119.26 124.15 3hx2 h ALA 110 Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3hx2 h ALA 110 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hx2 h ALA 110 CO 0.05 -0.71 -0.27 -0.07 0.00 0.00 0.00 179.25 178.25 3hx2 h LEU 111 N 0.29 0.41 -1.56 0.00 3.38 -1.21 -1.21 115.31 115.41 3hx2 h LEU 111 Ca 0.49 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hx2 h LEU 111 Cb 1.42 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3hx2 h LEU 111 CO -0.16 0.93 -0.11 -0.07 0.09 0.00 0.00 178.44 179.13 3hx2 h LEU 112 N -0.10 0.13 -0.20 1.67 3.38 0.51 -0.72 115.31 119.99 3hx2 h LEU 112 Ca -0.01 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3hx2 h LEU 112 Cb 0.89 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.61 3hx2 h LEU 112 CO 0.06 0.27 -0.77 0.44 0.09 0.00 0.00 178.44 178.53 3hx2 h ASP 113 N 0.14 0.89 -0.32 -0.43 3.45 -0.47 -2.24 116.42 117.43 3hx2 h ASP 113 Ca 0.03 -0.58 -0.09 0.00 0.43 0.00 0.00 57.03 56.82 3hx2 h ASP 113 Cb 0.29 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 3hx2 h ASP 113 CO 0.02 1.37 -0.11 0.25 -1.57 0.00 0.00 179.24 179.19 3hx2 h LEU 114 N 0.51 0.74 -0.90 1.55 5.85 -0.68 -1.52 115.31 120.87 3hx2 h LEU 114 Ca -0.05 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3hx2 h LEU 114 Cb 1.39 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3hx2 h LEU 114 CO 0.16 0.88 -0.47 -0.74 -0.34 0.00 0.00 178.44 177.93 3hx2 h HIS 115 N 0.68 0.22 -0.12 1.25 2.76 -1.09 -1.02 115.15 117.84 3hx2 h HIS 115 Ca 0.12 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 3hx2 h HIS 115 Cb 0.59 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 3hx2 h HIS 115 CO 0.03 0.62 -0.16 0.00 -1.30 0.00 0.00 177.93 177.13 3hx2 h ALA 116 N 1.37 0.18 -1.00 5.26 0.00 -1.11 -2.01 119.26 121.94 3hx2 h ALA 116 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3hx2 h ALA 116 Cb 0.89 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3hx2 h ALA 116 CO 0.07 0.08 0.66 1.25 0.00 0.00 0.00 179.25 181.31 3hx2 h LEU 117 N -0.10 1.11 -0.67 0.00 5.85 -1.18 -1.36 115.31 118.97 3hx2 h LEU 117 Ca 0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hx2 h LEU 117 Cb 0.71 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3hx2 h LEU 117 CO 0.04 0.77 0.44 1.23 -0.34 0.00 0.00 178.44 180.57 3hx2 h GLY 118 N 1.29 0.95 1.64 3.75 0.00 -1.06 -1.76 103.07 107.88 3hx2 h GLY 118 Ca 0.39 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 3hx2 h GLY 118 CO -0.12 0.32 -0.23 1.76 0.00 0.00 0.00 176.54 178.28 3hx2 h SER 119 N 0.88 0.42 -0.46 0.19 0.02 -0.56 -0.91 113.55 113.13 3hx2 h SER 119 Ca 0.25 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3hx2 h SER 119 Cb -0.07 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3hx2 h SER 119 CO -0.07 0.65 0.02 0.00 -1.14 0.00 0.00 176.83 176.30 3hx2 h ALA 120 N 1.38 0.61 -0.33 3.77 0.00 -0.76 -2.54 119.26 121.39 3hx2 h ALA 120 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hx2 h ALA 120 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hx2 h ALA 120 CO 0.04 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.22 3hx2 n ARG 121 N -4.40 2.97 -3.62 0.00 5.12 -0.71 -4.95 116.66 111.08 3hx2 n ARG 121 Ca 0.00 -1.70 -0.23 0.00 -1.93 0.00 0.00 57.85 54.00 3hx2 n ARG 121 Cb 0.29 -1.83 0.01 0.00 -1.16 0.00 0.00 32.46 29.76 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 0.40 -1.96 -3.84 0.55 -2.24 -0.66 -4.91 114.28 101.62 3hx2 n THR 122 Ca 0.15 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 3hx2 n THR 122 Cb 0.71 -1.72 -0.11 0.00 -2.10 0.00 0.00 70.33 67.11 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 -3.23 5.09 0.56 3.42 -1.08 -0.44 -4.95 116.67 116.05 3hx2 s ASP 123 Ca 0.14 -3.81 0.25 0.00 -0.52 0.00 0.00 52.55 48.61 3hx2 s ASP 123 Cb -0.08 -1.70 1.56 0.00 -1.46 0.00 0.00 42.92 41.24 3hx2 s ASP 123 CO 0.62 -0.11 2.15 1.55 0.52 0.00 0.00 175.17 179.90 3hx2 h PRO 124 N 5.57 0.00 -0.10 4.34 0.13 -1.91 -2.47 132.00 137.56 3hx2 h PRO 124 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 3hx2 h PRO 124 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hx2 h PRO 124 CO 0.75 0.00 -0.03 1.25 -0.23 0.00 0.00 178.00 179.74 3hx2 h HIS 125 N 0.00 0.21 -0.67 1.56 2.76 -1.97 -1.42 115.15 115.62 3hx2 h HIS 125 Ca 0.05 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3hx2 h HIS 125 Cb 0.24 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 3hx2 h HIS 125 CO 0.00 0.50 0.37 1.25 -1.30 0.00 0.00 177.93 178.76 3hx2 h LEU 126 N -0.14 0.82 -0.29 0.26 5.85 -1.87 0.92 115.31 120.86 3hx2 h LEU 126 Ca 0.02 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3hx2 h LEU 126 Cb 0.44 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hx2 h LEU 126 CO 0.01 0.65 -0.02 0.00 -0.34 0.00 0.00 178.44 178.74 3hx2 h ASP 128 N 0.31 0.87 -0.53 0.00 3.58 -0.92 -2.07 116.42 117.66 3hx2 h ASP 128 Ca 0.08 -0.30 0.09 0.00 0.42 0.00 0.00 57.03 57.32 3hx2 h ASP 128 Cb 0.47 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.21 3hx2 h ASP 128 CO 0.02 0.95 0.13 0.15 -2.88 0.00 0.00 179.24 177.61 3hx2 h PHE 129 N 0.76 0.21 -0.33 0.28 3.04 -0.76 -1.15 116.94 118.99 3hx2 h PHE 129 Ca 0.15 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.00 3hx2 h PHE 129 Cb 0.50 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 3hx2 h PHE 129 CO 0.04 0.01 -0.29 -0.07 -2.02 0.00 0.00 178.31 175.97 3hx2 h LEU 130 N 0.27 0.83 -1.41 0.59 3.38 -1.36 -2.69 115.31 114.92 3hx2 h LEU 130 Ca 0.27 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hx2 h LEU 130 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hx2 h LEU 130 CO -0.33 1.12 0.34 -0.33 0.09 0.00 0.00 178.44 179.33 3hx2 h GLU 131 N 0.56 0.74 0.13 1.13 5.08 -0.81 0.46 114.58 121.87 3hx2 h GLU 131 Ca 0.06 -0.06 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 3hx2 h GLU 131 Cb 0.87 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3hx2 h GLU 131 CO 0.07 0.51 -1.63 1.15 -1.00 0.00 0.00 179.01 178.11 3hx2 h THR 132 N 0.76 1.04 -0.02 1.13 2.02 -1.24 -3.37 112.91 113.23 3hx2 h THR 132 Ca 0.20 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 64.70 3hx2 h THR 132 Cb -0.05 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3hx2 h THR 132 CO -0.04 0.81 0.00 1.41 0.37 0.00 0.00 175.52 178.07 3hx2 n HIS 133 N -3.46 0.01 0.05 3.16 8.25 -1.02 -4.90 115.22 117.32 3hx2 n HIS 133 Ca -0.20 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3hx2 n HIS 133 Cb 1.05 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 0.33 -0.71 -0.34 4.41 3.72 -0.01 -4.80 117.46 120.06 3hx2 n PHE 134 Ca 0.04 0.13 0.03 0.00 -0.05 0.00 0.00 57.45 57.59 3hx2 n PHE 134 Cb 0.16 0.31 0.10 0.00 -0.94 0.00 0.00 39.48 39.11 3hx2 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx2 h LEU 135 N 0.00 -1.04 -0.27 4.37 3.38 -1.32 -1.34 115.31 119.08 3hx2 h LEU 135 Ca 0.00 0.29 -0.20 0.00 0.09 0.00 0.00 57.88 58.05 3hx2 h LEU 135 Cb 0.00 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3hx2 h LEU 135 CO 0.00 -0.30 -0.70 -0.78 0.09 0.00 0.00 178.44 176.74 3hx2 h ASP 136 N -0.01 0.82 0.40 -0.43 -0.00 -1.83 -2.85 116.42 112.53 3hx2 h ASP 136 Ca 0.41 -0.51 -0.02 0.00 -0.00 0.00 0.00 57.03 56.91 3hx2 h ASP 136 Cb 0.65 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.74 3hx2 h ASP 136 CO -0.95 1.29 -0.10 -0.33 -0.00 0.00 0.00 179.24 179.15 3hx2 h GLU 137 N 0.50 0.00 0.06 0.28 5.08 -1.59 -1.76 114.58 117.14 3hx2 h GLU 137 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3hx2 h GLU 137 Cb 1.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.57 3hx2 h GLU 137 CO 0.14 0.10 -0.35 0.93 -1.00 0.00 0.00 179.01 178.82 3hx2 h GLU 138 N 0.00 0.14 -0.93 2.33 4.39 -1.30 -2.33 114.58 116.89 3hx2 h GLU 138 Ca -0.00 -0.23 0.09 0.00 0.34 0.00 0.00 59.36 59.56 3hx2 h GLU 138 Cb 0.32 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 3hx2 h GLU 138 CO 0.01 1.09 0.60 0.28 -1.16 0.00 0.00 179.01 179.82 3hx2 h VAL 139 N -0.68 1.00 -0.32 3.13 2.07 -1.26 0.23 116.25 120.42 3hx2 h VAL 139 Ca -0.06 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 66.95 3hx2 h VAL 139 Cb 1.25 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3hx2 h VAL 139 CO 0.07 0.18 -0.48 0.11 0.02 0.00 0.00 177.57 177.46 3hx2 h LYS 140 N 0.98 0.87 -0.37 1.57 1.57 -1.39 -1.94 116.57 117.86 3hx2 h LYS 140 Ca 0.42 -0.52 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3hx2 h LYS 140 Cb 0.33 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3hx2 h LYS 140 CO -0.18 1.16 -0.10 1.25 -0.57 0.00 0.00 179.45 181.00 3hx2 h LEU 141 N 0.69 0.73 -0.25 2.94 5.85 -0.65 -0.94 115.31 123.68 3hx2 h LEU 141 Ca 0.03 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3hx2 h LEU 141 Cb 1.08 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3hx2 h LEU 141 CO 0.11 0.94 0.05 0.40 -0.34 0.00 0.00 178.44 179.60 3hx2 h ILE 142 N 0.53 1.22 -0.95 4.05 2.04 -0.62 0.48 117.51 124.25 3hx2 h ILE 142 Ca 0.09 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.27 3hx2 h ILE 142 Cb 0.62 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 3hx2 h ILE 142 CO 0.04 0.23 0.62 0.50 0.00 0.00 0.00 178.15 179.55 3hx2 h LYS 143 N 0.23 1.13 -0.24 2.37 1.63 -1.29 0.27 116.57 120.67 3hx2 h LYS 143 Ca 0.08 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 3hx2 h LYS 143 Cb 0.30 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 3hx2 h LYS 143 CO 0.00 0.75 -0.02 -0.22 -3.45 0.00 0.00 179.45 176.52 3hx2 h LYS 144 N 1.17 0.44 0.00 1.90 3.64 -0.86 -2.13 116.57 120.73 3hx2 h LYS 144 Ca 0.39 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3hx2 h LYS 144 Cb 0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3hx2 h LYS 144 CO -0.13 0.63 -0.18 0.52 -2.27 0.00 0.00 179.45 178.02 3hx2 h MET 145 N 0.20 0.00 -0.18 1.90 2.86 -0.08 -2.14 114.93 117.49 3hx2 h MET 145 Ca 0.07 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.53 3hx2 h MET 145 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3hx2 h MET 145 CO 0.02 0.18 -0.60 0.78 1.06 0.00 0.00 176.91 178.35 3hx2 h GLY 146 N 1.12 0.67 1.51 8.32 0.00 -0.15 -2.48 103.07 112.06 3hx2 h GLY 146 Ca -0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 47.33 46.37 3hx2 h GLY 146 CO 0.02 0.73 -0.51 -0.55 0.00 0.00 0.00 176.54 176.23 3hx2 h ASP 147 N 0.45 0.57 -0.29 0.19 3.32 -0.79 -2.39 116.42 117.49 3hx2 h ASP 147 Ca -0.00 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 3hx2 h ASP 147 Cb 1.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 3hx2 h ASP 147 CO 0.12 0.98 0.05 0.45 -1.72 0.00 0.00 179.24 179.12 3hx2 h HIS 148 N 0.41 0.50 -0.72 4.55 3.86 -1.35 -1.50 115.15 120.91 3hx2 h HIS 148 Ca 0.02 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3hx2 h HIS 148 Cb 1.04 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.34 3hx2 h HIS 148 CO 0.04 0.57 0.39 -0.07 0.86 0.00 0.00 177.93 179.72 3hx2 h LEU 149 N 0.29 0.90 -1.20 2.43 3.38 -1.41 0.53 115.31 120.24 3hx2 h LEU 149 Ca 0.09 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3hx2 h LEU 149 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hx2 h LEU 149 CO 0.01 0.74 -0.21 0.74 0.09 0.00 0.00 178.44 179.81 3hx2 h THR 150 N 0.99 1.23 0.06 0.22 2.02 -1.33 -1.54 112.91 114.55 3hx2 h THR 150 Ca 0.25 -1.04 -0.26 0.00 0.77 0.00 0.00 66.41 66.13 3hx2 h THR 150 Cb 0.05 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3hx2 h THR 150 CO -0.04 0.32 -1.31 0.78 0.37 0.00 0.00 175.52 175.64 3hx2 h ASN 151 N 0.27 0.18 -0.21 4.18 2.35 -0.64 -3.08 115.58 118.64 3hx2 h ASN 151 Ca 0.05 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 3hx2 h ASN 151 Cb 0.52 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3hx2 h ASN 151 CO 0.03 1.19 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.93 3hx2 h LEU 152 N 0.03 0.37 -1.43 1.61 3.38 0.27 -2.87 115.31 116.66 3hx2 h LEU 152 Ca -0.14 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3hx2 h LEU 152 Cb 1.91 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 3hx2 h LEU 152 CO 0.14 0.60 0.25 -0.74 0.09 0.00 0.00 178.44 178.78 3hx2 h HIS 153 N 0.14 0.62 0.00 1.13 2.76 -1.40 -2.05 115.15 116.34 3hx2 h HIS 153 Ca 0.06 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3hx2 h HIS 153 Cb 0.41 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.17 3hx2 h HIS 153 CO 0.04 0.44 0.00 -0.09 -1.30 0.00 0.00 177.93 177.01 3hx2 h ARG 154 N 0.64 0.00 -1.90 5.26 2.43 -1.43 -3.32 114.38 116.06 3hx2 h ARG 154 Ca 0.17 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 3hx2 h ARG 154 Cb 0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3hx2 h ARG 154 CO -0.03 0.00 0.05 1.28 -1.51 0.00 0.00 179.97 179.76 3hx2 n LEU 155 N -3.07 5.60 0.00 3.80 4.77 -0.77 -4.11 117.00 123.23 3hx2 n LEU 155 Ca 0.02 -2.74 -0.00 0.00 -0.03 0.00 0.00 56.01 53.26 3hx2 n LEU 155 Cb 0.38 -1.15 -0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3hx2 n LEU 155 CO 0.29 1.16 -0.00 0.61 -1.33 0.00 0.00 177.39 178.13 3hx2 n GLY 156 N 1.37 0.10 0.00 -0.72 0.00 -1.25 -5.08 105.19 99.61 3hx2 n GLY 156 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 3.50 0.80 0.00 -0.02 0.00 -1.26 -5.23 105.19 102.98 3hx2 n GLY 157 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3hx2 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77