#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx2 n SER 2 N 0.00 0.00 -3.63 6.12 2.88 -1.26 -5.13 113.62 112.60 3hx2 n SER 2 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 3hx2 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3hx2 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3hx2 s SER 3 N -1.00 -0.81 0.32 -3.46 0.15 -1.26 -5.03 113.70 102.61 3hx2 s SER 3 Ca 0.00 1.46 0.11 0.00 0.70 0.00 0.00 55.95 58.22 3hx2 s SER 3 Cb 0.00 1.43 1.00 0.00 -1.71 0.00 0.00 66.02 66.74 3hx2 s SER 3 CO 0.00 -0.24 1.48 1.67 1.20 0.00 0.00 173.24 177.35 3hx2 n GLN 4 N 3.27 -0.07 -0.00 5.44 7.27 -1.26 -1.32 117.38 130.71 3hx2 n GLN 4 Ca -0.16 1.35 0.10 0.00 0.07 0.00 0.00 57.00 58.36 3hx2 n GLN 4 Cb 0.56 -2.29 -0.14 0.00 2.41 0.00 0.00 30.24 30.78 3hx2 n GLN 4 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 3hx2 n ILE 5 N -5.26 0.00 -1.66 1.69 -5.35 -1.26 -5.00 119.36 102.52 3hx2 n ILE 5 Ca 0.29 -0.24 -0.46 0.00 -0.27 0.00 0.00 62.75 62.07 3hx2 n ILE 5 Cb 0.98 0.53 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 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 -1.84 1.98 -3.54 6.28 0.63 -0.43 -4.86 116.66 114.88 3hx2 n ARG 6 Ca 0.00 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 3hx2 n ARG 6 Cb 0.43 -2.40 -0.04 0.00 0.45 0.00 0.00 32.46 30.90 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 0.14 0.45 -1.37 -0.14 0.74 -1.26 -4.93 119.66 113.28 3hx2 s GLN 7 Ca 0.73 1.13 -0.06 0.00 0.05 0.00 0.00 55.36 57.21 3hx2 s GLN 7 Cb -0.69 0.68 0.01 0.00 1.10 0.00 0.00 33.01 34.11 3hx2 s GLN 7 CO 0.45 -0.15 0.75 -1.71 -0.55 0.00 0.00 175.29 174.07 3hx2 n ASN 8 N 5.23 -5.88 -3.82 6.67 5.15 -1.26 -4.97 115.26 116.37 3hx2 n ASN 8 Ca -0.11 -0.34 -0.30 0.00 -0.60 0.00 0.00 54.58 53.23 3hx2 n ASN 8 Cb 0.51 -4.64 -0.14 0.00 -0.53 0.00 0.00 39.78 34.98 3hx2 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx2 s TYR 9 N -3.19 2.51 0.49 1.20 5.04 -1.26 -4.82 117.35 117.33 3hx2 s TYR 9 Ca 0.37 -2.64 -0.24 0.00 -2.44 0.00 0.00 57.07 52.12 3hx2 s TYR 9 Cb -0.16 -2.27 -0.07 0.00 0.35 0.00 0.00 41.96 39.81 3hx2 s TYR 9 CO 0.46 -0.80 1.40 -1.54 -1.34 0.00 0.00 175.55 173.73 3hx2 s SER 10 N 0.36 5.62 0.62 4.32 1.04 -1.26 -4.85 113.70 119.54 3hx2 s SER 10 Ca 0.16 2.87 0.41 0.00 0.48 0.00 0.00 55.95 59.86 3hx2 s SER 10 Cb -0.24 -2.65 2.10 0.00 0.10 0.00 0.00 66.02 65.34 3hx2 s SER 10 CO -0.03 -1.35 2.24 0.71 0.98 0.00 0.00 173.24 175.79 3hx2 h THR 11 N 1.95 0.00 0.38 2.02 1.35 -1.99 -1.96 112.91 114.67 3hx2 h THR 11 Ca -0.51 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 3hx2 h THR 11 Cb 1.28 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3hx2 h THR 11 CO 0.59 0.00 -0.18 0.44 -0.25 0.00 0.00 175.52 176.12 3hx2 h ASP 12 N 0.00 -0.43 -0.19 5.36 3.32 -1.99 -2.50 116.42 119.99 3hx2 h ASP 12 Ca 0.00 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.99 3hx2 h ASP 12 Cb 0.13 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 3hx2 h ASP 12 CO 0.00 0.01 -0.44 0.58 -1.72 0.00 0.00 179.24 177.67 3hx2 h VAL 13 N -1.02 0.12 -0.92 -1.35 2.07 -1.82 0.11 116.25 113.45 3hx2 h VAL 13 Ca -0.05 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.73 3hx2 h VAL 13 Cb 0.51 0.12 -0.15 0.00 -1.52 0.00 0.00 31.29 30.26 3hx2 h VAL 13 CO 0.09 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.91 3hx2 h GLU 14 N -0.47 0.22 -0.00 1.57 4.81 -1.44 0.37 114.58 119.65 3hx2 h GLU 14 Ca 0.08 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 3hx2 h GLU 14 Cb 0.62 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3hx2 h GLU 14 CO -0.44 0.15 -0.79 0.00 -0.73 0.00 0.00 179.01 177.19 3hx2 h ALA 15 N 1.81 0.68 -0.20 2.92 0.00 -0.59 -1.95 119.26 121.92 3hx2 h ALA 15 Ca 0.60 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hx2 h ALA 15 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hx2 h ALA 15 CO -0.65 0.95 0.02 0.00 0.00 0.00 0.00 179.25 179.57 3hx2 h ALA 16 N 1.17 0.27 0.20 0.00 0.00 0.21 -1.82 119.26 119.28 3hx2 h ALA 16 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hx2 h ALA 16 Cb 1.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3hx2 h ALA 16 CO 0.11 -0.04 -0.27 0.28 0.00 0.00 0.00 179.25 179.33 3hx2 h VAL 17 N 0.12 0.43 0.00 0.00 2.07 -0.84 0.41 116.25 118.44 3hx2 h VAL 17 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3hx2 h VAL 17 Cb 0.35 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3hx2 h VAL 17 CO 0.01 0.00 0.11 0.78 0.02 0.00 0.00 177.57 178.48 3hx2 h ASN 18 N -0.52 0.00 0.10 0.57 4.21 -1.29 0.20 115.58 118.84 3hx2 h ASN 18 Ca 0.01 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.22 3hx2 h ASN 18 Cb 0.51 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 3hx2 h ASN 18 CO -0.10 0.00 -1.59 -1.28 -1.29 0.00 0.00 177.43 173.17 3hx2 h SER 19 N 0.00 0.34 -0.93 5.81 0.87 0.09 -3.20 113.55 116.54 3hx2 h SER 19 Ca 0.00 -0.83 0.04 0.00 -1.23 0.00 0.00 61.79 59.77 3hx2 h SER 19 Cb 0.22 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 3hx2 h SER 19 CO 0.00 1.68 0.60 0.25 -0.53 0.00 0.00 176.83 178.83 3hx2 h LEU 20 N -0.28 0.99 -0.60 2.23 5.85 0.63 -0.95 115.31 123.18 3hx2 h LEU 20 Ca -0.35 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.46 3hx2 h LEU 20 Cb 1.79 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.52 3hx2 h LEU 20 CO 0.03 0.67 0.19 0.58 -0.34 0.00 0.00 178.44 179.58 3hx2 h VAL 21 N 1.15 0.72 -0.33 1.05 2.07 -1.11 0.40 116.25 120.21 3hx2 h VAL 21 Ca 0.38 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.67 3hx2 h VAL 21 Cb 0.03 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3hx2 h VAL 21 CO -0.13 0.06 -0.21 -1.13 0.02 0.00 0.00 177.57 176.18 3hx2 h ASN 22 N 0.35 0.62 -0.19 0.57 -0.73 -1.30 0.11 115.58 115.02 3hx2 h ASN 22 Ca 0.31 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 3hx2 h ASN 22 Cb 0.41 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 3hx2 h ASN 22 CO -0.34 0.83 0.06 0.25 -0.37 0.00 0.00 177.43 177.87 3hx2 h LEU 23 N 0.55 0.27 -0.21 0.34 5.85 0.35 -1.54 115.31 120.93 3hx2 h LEU 23 Ca 0.08 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3hx2 h LEU 23 Cb 0.67 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3hx2 h LEU 23 CO 0.05 0.39 0.06 1.88 -0.34 0.00 0.00 178.44 180.48 3hx2 h TYR 24 N 0.14 0.33 -0.80 1.25 -1.99 -0.13 0.48 116.97 116.25 3hx2 h TYR 24 Ca 0.06 -0.04 0.17 0.00 2.00 0.00 0.00 58.73 60.93 3hx2 h TYR 24 Cb 0.21 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 38.79 3hx2 h TYR 24 CO -0.00 0.41 0.54 -0.07 -0.00 0.00 0.00 178.16 179.04 3hx2 h LEU 25 N 0.16 0.36 0.03 3.88 3.38 -0.64 0.51 115.31 122.99 3hx2 h LEU 25 Ca 0.07 0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 3hx2 h LEU 25 Cb 0.24 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hx2 h LEU 25 CO -0.00 0.17 -1.13 -0.61 0.09 0.00 0.00 178.44 176.96 3hx2 h GLN 26 N 0.38 0.59 -0.19 1.13 4.15 -0.52 -2.63 115.11 118.03 3hx2 h GLN 26 Ca 0.40 -0.72 0.02 0.00 0.77 0.00 0.00 58.65 59.12 3hx2 h GLN 26 Cb 1.00 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 3hx2 h GLN 26 CO -0.13 1.31 0.08 0.00 -1.93 0.00 0.00 178.83 178.15 3hx2 h ALA 27 N 0.43 0.21 -0.52 3.38 0.00 0.10 -0.48 119.26 122.39 3hx2 h ALA 27 Ca -0.15 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3hx2 h ALA 27 Cb 1.79 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 3hx2 h ALA 27 CO 0.21 -0.35 0.03 1.03 0.00 0.00 0.00 179.25 180.17 3hx2 h SER 28 N 0.17 -0.17 0.10 0.00 0.87 -1.00 0.14 113.55 113.67 3hx2 h SER 28 Ca 0.08 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3hx2 h SER 28 Cb 0.04 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3hx2 h SER 28 CO -0.07 -0.06 -0.17 0.22 -0.53 0.00 0.00 176.83 176.23 3hx2 h TYR 29 N 0.14 0.14 0.32 2.24 3.20 -1.01 -0.49 116.97 121.52 3hx2 h TYR 29 Ca 0.26 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3hx2 h TYR 29 Cb 0.39 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3hx2 h TYR 29 CO -0.30 0.30 -0.15 1.15 -1.64 0.00 0.00 178.16 177.52 3hx2 h THR 30 N 0.13 0.69 -0.77 1.81 2.02 0.88 -2.27 112.91 115.39 3hx2 h THR 30 Ca 0.03 -0.49 0.07 0.00 0.77 0.00 0.00 66.41 66.78 3hx2 h THR 30 Cb 0.38 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 3hx2 h THR 30 CO 0.02 0.10 0.45 1.88 0.37 0.00 0.00 175.52 178.34 3hx2 h TYR 31 N -0.71 0.83 -0.96 3.16 0.05 -1.13 -0.03 116.97 118.17 3hx2 h TYR 31 Ca -0.04 0.03 0.13 0.00 0.05 0.00 0.00 58.73 58.90 3hx2 h TYR 31 Cb 0.49 -0.26 -0.08 0.00 1.01 0.00 0.00 36.73 37.89 3hx2 h TYR 31 CO 0.01 0.39 0.61 1.25 -1.05 0.00 0.00 178.16 179.37 3hx2 h LEU 32 N 0.81 0.82 -0.18 3.88 5.85 -0.95 0.69 115.31 126.23 3hx2 h LEU 32 Ca 0.35 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.92 3hx2 h LEU 32 Cb 0.23 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hx2 h LEU 32 CO -0.20 0.42 -0.67 -1.28 -0.34 0.00 0.00 178.44 176.37 3hx2 h SER 33 N 0.87 0.91 -0.12 1.25 0.87 -0.46 -2.74 113.55 114.13 3hx2 h SER 33 Ca 0.49 -0.60 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3hx2 h SER 33 Cb 0.60 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3hx2 h SER 33 CO -0.25 1.36 0.06 -0.07 -0.53 0.00 0.00 176.83 177.40 3hx2 h LEU 34 N 0.52 0.15 -0.05 2.23 3.38 -0.00 -2.43 115.31 119.11 3hx2 h LEU 34 Ca -0.03 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hx2 h LEU 34 Cb 1.30 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 3hx2 h LEU 34 CO 0.14 0.21 -0.52 1.23 0.09 0.00 0.00 178.44 179.59 3hx2 h GLY 35 N 0.08 -1.05 2.00 0.83 0.00 0.41 -1.22 103.07 104.12 3hx2 h GLY 35 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 47.33 48.01 3hx2 h GLY 35 CO -0.01 -0.22 0.00 0.69 0.00 0.00 0.00 176.54 177.00 3hx2 n PHE 36 N -5.45 0.28 -0.01 5.60 3.01 -1.04 -2.31 117.46 117.53 3hx2 n PHE 36 Ca -0.07 0.11 -0.17 0.00 1.01 0.00 0.00 57.45 58.33 3hx2 n PHE 36 Cb 0.39 -0.68 -0.09 0.00 -0.01 0.00 0.00 39.48 39.09 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 0.82 0.00 1.38 3.20 -0.71 -3.06 116.97 118.59 3hx2 h TYR 37 Ca 0.00 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3hx2 h TYR 37 Cb 0.29 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3hx2 h TYR 37 CO 0.00 1.19 0.00 1.19 -1.64 0.00 0.00 178.16 178.90 3hx2 n PHE 38 N -4.11 0.00 1.04 -3.82 3.72 -0.98 -2.46 117.46 110.85 3hx2 n PHE 38 Ca -0.09 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.43 3hx2 n PHE 38 Cb 0.69 -0.22 0.13 0.00 -0.94 0.00 0.00 39.48 39.14 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 -1.22 0.87 -4.71 4.37 4.64 -1.16 -1.04 116.55 118.31 3hx2 n ASP 39 Ca 0.14 -0.69 -0.39 0.00 -1.38 0.00 0.00 54.79 52.46 3hx2 n ASP 39 Cb 0.17 0.49 0.03 0.00 -1.04 0.00 0.00 41.12 40.78 3hx2 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx2 n ARG 40 N -1.24 1.62 0.28 -0.67 1.74 -1.03 -4.67 116.66 112.69 3hx2 n ARG 40 Ca 0.06 0.59 0.15 0.00 -0.77 0.00 0.00 57.85 57.88 3hx2 n ARG 40 Cb 0.35 -2.44 0.83 0.00 -1.02 0.00 0.00 32.46 30.18 3hx2 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx2 h ASP 41 N 1.47 0.00 0.24 0.55 2.03 -1.92 0.20 116.42 118.99 3hx2 h ASP 41 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 3hx2 h ASP 41 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 3hx2 h ASP 41 CO 0.57 0.07 -0.22 -0.90 -1.03 0.00 0.00 179.24 177.73 3hx2 n ASP 42 N -3.60 0.97 -0.01 4.15 3.85 -1.26 -4.34 116.55 116.30 3hx2 n ASP 42 Ca -0.02 -0.88 -0.04 0.00 -0.71 0.00 0.00 54.79 53.14 3hx2 n ASP 42 Cb 0.18 0.09 -0.01 0.00 -1.35 0.00 0.00 41.12 40.03 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 -0.64 1.29 -3.50 2.12 0.31 -0.77 -5.09 118.33 112.05 3hx2 n VAL 43 Ca 0.13 0.27 -0.20 0.00 -0.01 0.00 0.00 64.34 64.53 3hx2 n VAL 43 Cb 0.34 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.41 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 -3.86 -2.60 -3.63 3.52 0.00 0.62 -4.99 120.51 109.57 3hx2 n ALA 44 Ca -0.07 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 3hx2 n ALA 44 Cb 0.25 -2.70 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 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 -5.34 2.77 0.34 0.00 1.43 -0.21 -4.97 118.68 112.71 3hx2 s LEU 45 Ca 0.23 -3.20 0.10 0.00 -1.03 0.00 0.00 54.13 50.24 3hx2 s LEU 45 Cb -0.07 -0.95 0.88 0.00 0.03 0.00 0.00 46.19 46.07 3hx2 s LEU 45 CO 0.83 -0.17 1.79 -0.08 0.23 0.00 0.00 176.35 178.95 3hx2 h GLU 46 N 5.85 0.60 -0.29 1.70 4.81 -1.95 -0.76 114.58 124.54 3hx2 h GLU 46 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3hx2 h GLU 46 Cb 0.86 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3hx2 h GLU 46 CO 0.50 0.40 0.19 0.78 -0.73 0.00 0.00 179.01 180.15 3hx2 h GLY 47 N 0.62 0.41 0.76 1.92 0.00 -1.94 0.08 103.07 104.92 3hx2 h GLY 47 Ca 0.57 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 3hx2 h GLY 47 CO -0.34 0.14 -0.04 -2.08 0.00 0.00 0.00 176.54 174.22 3hx2 h VAL 48 N 0.39 1.29 -0.36 4.60 2.07 -1.69 -2.10 116.25 120.45 3hx2 h VAL 48 Ca 0.11 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.64 3hx2 h VAL 48 Cb -0.04 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3hx2 h VAL 48 CO -0.03 0.30 0.24 -1.28 0.02 0.00 0.00 177.57 176.82 3hx2 h SER 49 N -0.00 0.34 -0.18 0.57 0.87 -0.99 -1.01 113.55 113.15 3hx2 h SER 49 Ca 0.04 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 3hx2 h SER 49 Cb 0.48 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3hx2 h SER 49 CO 0.02 0.24 -0.71 -0.74 -0.53 0.00 0.00 176.83 175.11 3hx2 h HIS 50 N 0.40 1.06 -0.33 2.24 6.17 -0.87 -2.27 115.15 121.55 3hx2 h HIS 50 Ca 0.14 -0.45 0.04 0.00 0.71 0.00 0.00 60.37 60.81 3hx2 h HIS 50 Cb 0.08 -0.17 -0.04 0.00 2.52 0.00 0.00 27.41 29.80 3hx2 h HIS 50 CO -0.00 1.28 0.11 0.35 0.71 0.00 0.00 177.93 180.38 3hx2 h PHE 51 N 0.54 0.19 -0.25 5.26 3.57 -0.51 -1.02 116.94 124.72 3hx2 h PHE 51 Ca -0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3hx2 h PHE 51 Cb 1.33 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 3hx2 h PHE 51 CO 0.09 0.08 -0.10 0.74 -2.23 0.00 0.00 178.31 176.88 3hx2 h PHE 52 N 0.25 0.58 -0.04 0.41 0.05 -1.31 -2.39 116.94 114.49 3hx2 h PHE 52 Ca 0.15 -0.14 0.01 0.00 3.82 0.00 0.00 57.97 61.81 3hx2 h PHE 52 Cb 0.12 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 37.94 3hx2 h PHE 52 CO -0.14 0.76 0.04 0.00 -0.18 0.00 0.00 178.31 178.78 3hx2 h ARG 53 N 0.24 0.00 -0.09 1.51 3.08 -1.17 0.24 114.38 118.18 3hx2 h ARG 53 Ca 0.06 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 3hx2 h ARG 53 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.65 3hx2 h ARG 53 CO 0.03 0.00 -0.82 0.93 -1.07 0.00 0.00 179.97 179.04 3hx2 h GLU 54 N 0.00 0.60 -0.52 0.04 5.08 -0.94 -2.95 114.58 115.89 3hx2 h GLU 54 Ca 0.02 -0.53 -0.11 0.00 -1.00 0.00 0.00 59.36 57.74 3hx2 h GLU 54 Cb 0.09 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3hx2 h GLU 54 CO -0.00 1.15 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.97 3hx2 h LEU 55 N 0.39 0.98 -0.93 1.33 3.38 -0.22 -1.04 115.31 119.20 3hx2 h LEU 55 Ca -0.06 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.67 3hx2 h LEU 55 Cb 1.44 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 3hx2 h LEU 55 CO 0.16 1.10 0.58 0.00 0.09 0.00 0.00 178.44 180.36 3hx2 h ALA 56 N 0.98 1.33 0.00 1.53 0.00 -0.66 -0.10 119.26 122.33 3hx2 h ALA 56 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3hx2 h ALA 56 Cb 0.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hx2 h ALA 56 CO 0.05 0.27 -0.68 1.49 0.00 0.00 0.00 179.25 180.38 3hx2 h GLU 57 N 0.99 0.00 -0.13 0.00 4.57 -1.27 -2.36 114.58 116.37 3hx2 h GLU 57 Ca 0.43 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.53 3hx2 h GLU 57 Cb 0.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3hx2 h GLU 57 CO -0.22 0.68 -0.28 0.93 -1.18 0.00 0.00 179.01 178.94 3hx2 h GLU 58 N 0.00 0.25 -0.05 1.92 5.08 0.26 -2.12 114.58 119.91 3hx2 h GLU 58 Ca -0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3hx2 h GLU 58 Cb 1.22 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hx2 h GLU 58 CO 0.09 0.51 -0.07 0.87 -1.00 0.00 0.00 179.01 179.42 3hx2 h LYS 59 N 0.22 0.13 -0.97 2.33 1.79 -0.90 -2.31 116.57 116.86 3hx2 h LYS 59 Ca 0.03 -0.08 0.12 0.00 -2.18 0.00 0.00 60.65 58.55 3hx2 h LYS 59 Cb 0.62 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.19 3hx2 h LYS 59 CO 0.04 0.62 0.62 -0.09 -1.08 0.00 0.00 179.45 179.56 3hx2 h ARG 60 N -0.35 0.89 -0.61 3.15 2.43 -1.27 0.26 114.38 118.88 3hx2 h ARG 60 Ca 0.01 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3hx2 h ARG 60 Cb 0.60 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3hx2 h ARG 60 CO 0.02 0.59 0.37 0.93 -1.51 0.00 0.00 179.97 180.37 3hx2 h GLU 61 N 0.92 0.83 0.04 0.20 5.08 -1.29 0.06 114.58 120.42 3hx2 h GLU 61 Ca 0.48 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3hx2 h GLU 61 Cb 0.54 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hx2 h GLU 61 CO -0.25 0.59 -0.04 0.78 -1.00 0.00 0.00 179.01 179.10 3hx2 h GLY 62 N 0.83 -0.08 1.29 -3.84 0.00 0.01 0.23 103.07 101.51 3hx2 h GLY 62 Ca 0.22 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 3hx2 h GLY 62 CO -0.04 -0.04 -0.13 0.10 0.00 0.00 0.00 176.54 176.43 3hx2 h TYR 63 N -0.08 0.92 -0.72 5.60 -0.00 -0.86 -0.95 116.97 120.86 3hx2 h TYR 63 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 58.73 58.54 3hx2 h TYR 63 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 36.73 36.54 3hx2 h TYR 63 CO -0.09 0.90 0.40 0.93 -0.00 0.00 0.00 178.16 180.30 3hx2 h GLU 64 N 0.74 1.01 -0.60 0.10 5.08 -0.75 0.15 114.58 120.31 3hx2 h GLU 64 Ca 0.12 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3hx2 h GLU 64 Cb 0.63 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3hx2 h GLU 64 CO 0.04 0.75 0.27 -0.09 -1.00 0.00 0.00 179.01 178.98 3hx2 h ARG 65 N 1.00 0.86 0.08 2.33 2.43 -0.17 -0.20 114.38 120.71 3hx2 h ARG 65 Ca 0.25 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3hx2 h ARG 65 Cb 0.04 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3hx2 h ARG 65 CO -0.04 0.68 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.99 3hx2 h LEU 66 N 0.85 -0.09 -1.78 3.80 3.38 -0.09 -1.97 115.31 119.41 3hx2 h LEU 66 Ca 0.21 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.88 3hx2 h LEU 66 Cb 0.12 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hx2 h LEU 66 CO -0.02 0.37 0.34 -0.07 0.09 0.00 0.00 178.44 179.15 3hx2 h LEU 67 N -0.58 0.23 -0.25 1.67 3.38 -0.60 0.33 115.31 119.49 3hx2 h LEU 67 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3hx2 h LEU 67 Cb 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hx2 h LEU 67 CO 0.02 0.14 -0.44 0.50 0.09 0.00 0.00 178.44 178.75 3hx2 h LYS 68 N 0.25 0.74 -0.44 1.13 3.64 -0.92 -2.91 116.57 118.06 3hx2 h LYS 68 Ca 0.23 -0.46 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 3hx2 h LYS 68 Cb 0.58 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3hx2 h LYS 68 CO -0.05 1.08 -0.15 1.98 -2.27 0.00 0.00 179.45 180.04 3hx2 h MET 69 N 0.47 0.83 -0.00 1.90 4.05 -0.30 -1.75 114.93 120.12 3hx2 h MET 69 Ca 0.02 -0.30 0.03 0.00 -0.28 0.00 0.00 59.70 59.16 3hx2 h MET 69 Cb 1.04 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.73 3hx2 h MET 69 CO 0.10 0.93 -0.44 0.37 0.23 0.00 0.00 176.91 178.09 3hx2 h GLN 70 N 0.73 -0.57 0.00 0.39 5.75 -0.32 0.11 115.11 121.20 3hx2 h GLN 70 Ca 0.11 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 3hx2 h GLN 70 Cb 0.66 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 3hx2 h GLN 70 CO 0.05 -0.38 -0.19 -0.91 -2.65 0.00 0.00 178.83 174.74 3hx2 h ASN 71 N -0.59 0.00 -0.52 -0.69 4.21 -1.39 -1.67 115.58 114.93 3hx2 h ASN 71 Ca 0.04 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.47 3hx2 h ASN 71 Cb 0.67 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.85 3hx2 h ASN 71 CO -0.33 0.19 0.03 1.56 -1.29 0.00 0.00 177.43 177.60 3hx2 h GLN 72 N 0.00 0.94 0.06 0.81 1.08 -0.27 -3.17 115.11 114.56 3hx2 h GLN 72 Ca -0.00 -0.26 -0.24 0.00 -1.45 0.00 0.00 58.65 56.69 3hx2 h GLN 72 Cb 0.43 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3hx2 h GLN 72 CO 0.03 0.91 -1.06 0.00 -0.95 0.00 0.00 178.83 177.76 3hx2 h ARG 73 N 0.88 0.33 0.00 1.46 2.47 -0.27 -3.48 114.38 115.77 3hx2 h ARG 73 Ca 0.17 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3hx2 h ARG 73 Cb 0.47 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 3hx2 h ARG 73 CO 0.02 1.14 0.00 0.41 0.56 0.00 0.00 179.97 182.10 3hx2 n GLY 74 N 1.18 1.32 3.32 0.04 0.00 -0.70 -3.89 105.19 106.46 3hx2 n GLY 74 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3hx2 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx2 n GLY 75 N 0.00 -3.01 2.82 -0.02 0.00 -0.79 -4.86 105.19 99.32 3hx2 n GLY 75 Ca 0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 3hx2 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx2 s ARG 76 N -4.61 0.64 0.37 1.61 1.81 -1.26 -4.39 118.95 113.13 3hx2 s ARG 76 Ca 0.66 0.03 -0.26 0.00 -1.72 0.00 0.00 55.73 54.45 3hx2 s ARG 76 Cb -0.18 -0.87 -0.09 0.00 -0.45 0.00 0.00 34.95 33.36 3hx2 s ARG 76 CO 0.60 -0.21 1.14 0.00 -0.68 0.00 0.00 175.30 176.16 3hx2 s ALA 77 N 1.51 3.21 -0.02 2.13 0.00 -1.26 -4.99 121.76 122.33 3hx2 s ALA 77 Ca -0.02 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3hx2 s ALA 77 Cb -0.13 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3hx2 s ALA 77 CO -0.03 -0.41 -0.01 -0.51 0.00 0.00 0.00 175.76 174.80 3hx2 s LEU 78 N -2.28 1.36 -0.03 0.00 1.43 -1.26 -5.15 118.68 112.74 3hx2 s LEU 78 Ca 0.54 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3hx2 s LEU 78 Cb -0.30 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 3hx2 s LEU 78 CO 0.38 -0.07 -0.10 -0.36 0.23 0.00 0.00 176.35 176.44 3hx2 s PHE 79 N 0.78 2.83 0.26 0.29 0.08 -1.26 -4.92 117.98 116.04 3hx2 s PHE 79 Ca -0.08 -0.07 0.11 0.00 0.12 0.00 0.00 56.93 57.02 3hx2 s PHE 79 Cb -0.11 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 3hx2 s PHE 79 CO -0.01 0.30 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.58 3hx2 s GLN 80 N -1.04 1.75 0.66 0.44 -1.52 -1.26 -5.10 119.66 113.59 3hx2 s GLN 80 Ca 0.14 -1.68 -0.17 0.00 -1.95 0.00 0.00 55.36 51.70 3hx2 s GLN 80 Cb -0.11 -1.84 -0.10 0.00 -0.22 0.00 0.00 33.01 30.74 3hx2 s GLN 80 CO 0.03 0.35 0.16 -0.25 -0.25 0.00 0.00 175.29 175.33 3hx2 n ASP 81 N -0.53 -2.53 -4.38 5.90 10.43 -1.26 -4.92 116.55 119.26 3hx2 n ASP 81 Ca -0.06 0.59 -0.38 0.00 2.57 0.00 0.00 54.79 57.50 3hx2 n ASP 81 Cb 0.59 -1.04 -0.12 0.00 1.84 0.00 0.00 41.12 42.40 3hx2 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx2 s ILE 82 N -1.91 4.29 0.17 0.53 1.01 -1.26 -5.06 121.20 118.96 3hx2 s ILE 82 Ca 0.60 -0.64 -0.32 0.00 0.00 0.00 0.00 60.65 60.30 3hx2 s ILE 82 Cb -0.39 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 3hx2 s ILE 82 CO 0.63 0.01 1.60 -0.75 0.00 0.00 0.00 174.94 176.43 3hx2 s LYS 83 N 1.55 4.20 0.91 2.79 2.20 -1.26 -4.98 119.74 125.14 3hx2 s LYS 83 Ca 0.03 2.40 -0.12 0.00 -0.36 0.00 0.00 55.97 57.92 3hx2 s LYS 83 Cb -0.18 -3.17 0.09 0.00 -1.51 0.00 0.00 37.83 33.06 3hx2 s LYS 83 CO 0.05 -0.64 0.83 0.36 -0.36 0.00 0.00 175.35 175.59 3hx2 n LYS 84 N 4.06 -0.27 -1.82 4.03 2.85 -1.26 -4.91 118.16 120.85 3hx2 n LYS 84 Ca 0.14 -0.02 -0.37 0.00 -1.05 0.00 0.00 58.31 57.02 3hx2 n LYS 84 Cb 0.38 -2.15 0.06 0.00 -0.65 0.00 0.00 35.03 32.67 3hx2 n LYS 84 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3hx2 s PRO 85 N -4.07 2.66 0.57 -1.58 0.02 -1.26 -4.90 135.00 126.45 3hx2 s PRO 85 Ca 0.64 1.99 0.26 0.00 0.02 0.00 0.00 61.00 63.91 3hx2 s PRO 85 Cb -0.24 -1.87 1.64 0.00 0.02 0.00 0.00 34.50 34.05 3hx2 s PRO 85 CO 0.61 -1.49 2.17 0.00 -0.33 0.00 0.00 177.00 177.96 3hx2 h ALA 86 N 0.63 1.77 -2.22 -1.55 0.00 -1.97 -3.44 119.26 112.48 3hx2 h ALA 86 Ca -0.51 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.05 3hx2 h ALA 86 Cb 1.33 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 3hx2 h ALA 86 CO 0.54 -0.13 -0.68 -1.21 0.00 0.00 0.00 179.25 177.77 3hx2 s GLU 87 N -4.74 1.23 -0.05 0.00 0.41 -1.26 -5.03 118.70 109.25 3hx2 s GLU 87 Ca -0.05 -1.59 0.12 0.00 -0.41 0.00 0.00 54.97 53.04 3hx2 s GLU 87 Cb 0.16 -0.59 -0.19 0.00 -1.78 0.00 0.00 34.13 31.73 3hx2 s GLU 87 CO 0.58 -0.04 0.21 -0.25 -0.49 0.00 0.00 175.26 175.27 3hx2 n ASP 88 N -0.33 2.00 -3.84 -0.19 8.00 -1.26 -4.93 116.55 116.00 3hx2 n ASP 88 Ca -0.07 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.25 3hx2 n ASP 88 Cb 0.63 1.35 -0.16 0.00 -0.02 0.00 0.00 41.12 42.91 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 -2.72 0.46 -0.05 -1.24 2.02 -1.26 -5.01 118.70 110.90 3hx2 s GLU 89 Ca -0.05 0.02 0.18 0.00 0.02 0.00 0.00 54.97 55.14 3hx2 s GLU 89 Cb 0.07 -0.60 0.61 0.00 0.10 0.00 0.00 34.13 34.32 3hx2 s GLU 89 CO 0.53 -0.12 1.51 0.91 0.02 0.00 0.00 175.26 178.11 3hx2 n TRP 90 N 4.13 1.12 -0.08 1.61 7.02 -1.26 -5.05 117.44 124.92 3hx2 n TRP 90 Ca -0.26 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 55.74 3hx2 n TRP 90 Cb 0.50 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 1.29 3.47 3.94 6.99 0.00 -1.26 -3.53 105.19 116.09 3hx2 n GLY 91 Ca 0.22 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 3.07 0.18 1.61 1.02 -1.26 -4.91 119.74 119.45 3hx2 s LYS 92 Ca 0.00 -0.30 -0.17 0.00 0.02 0.00 0.00 55.97 55.52 3hx2 s LYS 92 Cb 0.00 -2.47 0.14 0.00 -0.52 0.00 0.00 37.83 34.98 3hx2 s LYS 92 CO 0.00 -0.37 1.64 1.15 -0.92 0.00 0.00 175.35 176.85 3hx2 h THR 93 N 0.24 0.46 -0.53 2.17 2.02 -2.00 -1.51 112.91 113.76 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 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3hx2 h THR 93 CO 0.59 0.00 0.35 -0.65 0.37 0.00 0.00 175.52 176.18 3hx2 h PRO 94 N -0.05 0.61 0.33 6.66 0.11 -1.94 0.68 132.00 138.39 3hx2 h PRO 94 Ca 0.23 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3hx2 h PRO 94 Cb 0.40 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3hx2 h PRO 94 CO -0.51 0.40 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.09 3hx2 h ASP 95 N 0.63 -0.37 -0.92 -2.05 3.45 -1.59 -1.18 116.42 114.40 3hx2 h ASP 95 Ca 0.21 -0.14 0.08 0.00 0.43 0.00 0.00 57.03 57.61 3hx2 h ASP 95 Cb 0.06 0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 38.86 3hx2 h ASP 95 CO -0.05 -0.05 0.59 0.00 -1.57 0.00 0.00 179.24 178.16 3hx2 h ALA 96 N -0.17 1.56 -0.16 3.45 0.00 -0.95 0.77 119.26 123.76 3hx2 h ALA 96 Ca -0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hx2 h ALA 96 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hx2 h ALA 96 CO 0.07 0.27 -0.30 1.98 0.00 0.00 0.00 179.25 181.27 3hx2 h MET 97 N 0.97 0.31 -0.12 0.00 -1.53 -0.77 -0.94 114.93 112.84 3hx2 h MET 97 Ca 0.41 -0.12 -0.05 0.00 -3.44 0.00 0.00 59.70 56.50 3hx2 h MET 97 Cb 0.32 -0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.35 3hx2 h MET 97 CO -0.17 0.59 -0.13 0.87 0.14 0.00 0.00 176.91 178.21 3hx2 h LYS 98 N 0.27 0.30 -0.92 0.39 1.57 0.37 -0.55 116.57 118.01 3hx2 h LYS 98 Ca 0.04 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3hx2 h LYS 98 Cb 0.68 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 3hx2 h LYS 98 CO 0.05 0.71 0.60 0.00 -0.57 0.00 0.00 179.45 180.24 3hx2 h ALA 99 N 0.59 1.39 -0.41 3.86 0.00 -0.99 0.12 119.26 123.82 3hx2 h ALA 99 Ca 0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3hx2 h ALA 99 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hx2 h ALA 99 CO 0.03 0.53 -0.28 0.00 0.00 0.00 0.00 179.25 179.53 3hx2 h ALA 100 N 1.45 0.59 -0.18 0.00 0.00 -1.09 -0.61 119.26 119.42 3hx2 h ALA 100 Ca 0.35 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3hx2 h ALA 100 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hx2 h ALA 100 CO -0.10 0.62 -0.22 1.98 0.00 0.00 0.00 179.25 181.54 3hx2 h MET 101 N 0.74 0.32 0.02 0.00 -1.53 -0.36 -1.94 114.93 112.18 3hx2 h MET 101 Ca 0.08 -0.10 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 3hx2 h MET 101 Cb 0.87 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.89 3hx2 h MET 101 CO 0.08 0.52 -0.01 0.00 0.14 0.00 0.00 176.91 177.64 3hx2 h ALA 102 N 1.49 -0.03 -0.62 0.39 0.00 -0.57 -2.82 119.26 117.11 3hx2 h ALA 102 Ca 0.05 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.81 3hx2 h ALA 102 Cb 0.55 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3hx2 h ALA 102 CO 0.04 -0.23 0.42 1.25 0.00 0.00 0.00 179.25 180.73 3hx2 h LEU 103 N -0.60 0.27 -0.16 0.00 5.85 -0.97 -1.08 115.31 118.63 3hx2 h LEU 103 Ca -0.00 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.50 3hx2 h LEU 103 Cb 0.56 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hx2 h LEU 103 CO 0.00 0.15 -0.95 -0.33 -0.34 0.00 0.00 178.44 176.98 3hx2 h GLU 104 N 0.30 0.43 -0.53 1.25 4.39 -1.35 -2.32 114.58 116.75 3hx2 h GLU 104 Ca 0.30 -0.46 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 3hx2 h GLU 104 Cb 0.75 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 3hx2 h GLU 104 CO -0.07 1.12 -0.08 0.87 -1.16 0.00 0.00 179.01 179.70 3hx2 h LYS 105 N 0.24 0.97 -0.00 2.33 1.57 -1.00 0.13 116.57 120.81 3hx2 h LYS 105 Ca -0.08 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3hx2 h LYS 105 Cb 1.58 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 3hx2 h LYS 105 CO 0.17 1.00 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.78 3hx2 h LYS 106 N 0.87 -0.08 -0.13 3.15 3.64 -1.24 0.79 116.57 123.58 3hx2 h LYS 106 Ca 0.14 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3hx2 h LYS 106 Cb 0.62 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3hx2 h LYS 106 CO 0.04 -0.05 0.08 -0.07 -2.27 0.00 0.00 179.45 177.18 3hx2 h LEU 107 N -0.08 0.16 -0.92 5.20 3.38 -1.18 -1.71 115.31 120.16 3hx2 h LEU 107 Ca 0.02 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.11 3hx2 h LEU 107 Cb 0.11 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 3hx2 h LEU 107 CO -0.05 0.16 0.50 -1.13 0.09 0.00 0.00 178.44 178.01 3hx2 h ASN 108 N 0.14 0.62 0.05 -0.43 -1.24 -0.30 0.02 115.58 114.44 3hx2 h ASN 108 Ca 0.05 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 3hx2 h ASN 108 Cb 0.03 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 3hx2 h ASN 108 CO -0.01 0.23 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.72 3hx2 h GLN 109 N 0.66 -0.07 -0.41 6.67 5.75 -0.23 -0.22 115.11 127.27 3hx2 h GLN 109 Ca 0.52 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 59.10 3hx2 h GLN 109 Cb 0.78 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 3hx2 h GLN 109 CO -0.38 0.10 0.28 0.00 -2.65 0.00 0.00 178.83 176.18 3hx2 h ALA 110 N 0.72 2.12 -0.07 3.38 0.00 -0.29 0.56 119.26 125.69 3hx2 h ALA 110 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3hx2 h ALA 110 Cb 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hx2 h ALA 110 CO 0.01 -0.21 -0.41 -0.07 0.00 0.00 0.00 179.25 178.57 3hx2 h LEU 111 N 0.21 0.48 -1.17 0.00 3.38 -0.67 -1.03 115.31 116.50 3hx2 h LEU 111 Ca 0.19 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3hx2 h LEU 111 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hx2 h LEU 111 CO -0.03 1.07 0.27 -0.07 0.09 0.00 0.00 178.44 179.76 3hx2 h LEU 112 N -0.07 0.77 0.09 1.67 3.38 0.51 0.23 115.31 121.89 3hx2 h LEU 112 Ca -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hx2 h LEU 112 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hx2 h LEU 112 CO 0.08 0.67 -0.05 0.44 0.09 0.00 0.00 178.44 179.68 3hx2 h ASP 113 N 0.85 -0.11 -0.27 -0.43 3.45 0.09 -1.37 116.42 118.63 3hx2 h ASP 113 Ca 0.21 -0.31 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 3hx2 h ASP 113 Cb 0.12 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3hx2 h ASP 113 CO -0.02 0.26 0.16 0.25 -1.57 0.00 0.00 179.24 178.32 3hx2 h LEU 114 N -0.49 0.35 -0.70 1.55 5.85 -0.89 0.18 115.31 121.15 3hx2 h LEU 114 Ca -0.01 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3hx2 h LEU 114 Cb 0.41 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3hx2 h LEU 114 CO 0.02 0.29 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.51 3hx2 h HIS 115 N 0.40 0.94 0.18 1.25 2.76 -0.30 -1.01 115.15 119.37 3hx2 h HIS 115 Ca 0.11 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 3hx2 h HIS 115 Cb 0.01 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.74 3hx2 h HIS 115 CO 0.00 0.93 -0.09 0.00 -1.30 0.00 0.00 177.93 177.48 3hx2 h ALA 116 N 1.08 -0.24 -0.50 5.26 0.00 0.07 -2.04 119.26 122.88 3hx2 h ALA 116 Ca 0.11 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3hx2 h ALA 116 Cb 0.67 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 3hx2 h ALA 116 CO 0.05 -0.57 0.09 1.25 0.00 0.00 0.00 179.25 180.07 3hx2 h LEU 117 N -0.37 -0.02 -1.19 0.00 5.85 -0.56 -0.15 115.31 118.88 3hx2 h LEU 117 Ca -0.02 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3hx2 h LEU 117 Cb 0.29 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3hx2 h LEU 117 CO 0.04 0.02 0.57 1.23 -0.34 0.00 0.00 178.44 179.96 3hx2 h GLY 118 N 0.23 1.28 1.00 3.75 0.00 -0.97 -1.13 103.07 107.22 3hx2 h GLY 118 Ca 0.25 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 3hx2 h GLY 118 CO -0.33 0.25 0.10 1.76 0.00 0.00 0.00 176.54 178.31 3hx2 h SER 119 N 0.94 0.84 -0.32 0.19 0.02 -0.32 -0.61 113.55 114.28 3hx2 h SER 119 Ca 0.40 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3hx2 h SER 119 Cb 0.31 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3hx2 h SER 119 CO -0.16 0.88 0.12 0.00 -1.14 0.00 0.00 176.83 176.53 3hx2 h ALA 120 N 0.99 0.37 -0.02 3.77 0.00 -0.32 -1.11 119.26 122.94 3hx2 h ALA 120 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hx2 h ALA 120 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hx2 h ALA 120 CO 0.01 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.52 3hx2 n ARG 121 N -5.01 1.07 -3.83 0.00 5.12 -0.53 -4.92 116.66 108.56 3hx2 n ARG 121 Ca 0.00 -0.11 -0.36 0.00 -1.93 0.00 0.00 57.85 55.45 3hx2 n ARG 121 Cb 0.11 -1.18 0.03 0.00 -1.16 0.00 0.00 32.46 30.26 3hx2 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx2 n THR 122 N -0.55 -4.50 -3.76 0.55 -2.24 -0.42 -4.95 114.28 98.41 3hx2 n THR 122 Ca 0.08 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 3hx2 n THR 122 Cb 0.06 -3.48 -0.10 0.00 -2.10 0.00 0.00 70.33 64.72 3hx2 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx2 n ASP 123 N -2.42 3.56 -0.13 3.42 -0.08 -0.35 -4.96 116.55 115.60 3hx2 n ASP 123 Ca -0.12 -3.21 0.12 0.00 -1.51 0.00 0.00 54.79 50.06 3hx2 n ASP 123 Cb 0.59 -0.86 0.46 0.00 2.34 0.00 0.00 41.12 43.65 3hx2 n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hx2 h PRO 124 N 5.47 0.48 0.44 -0.67 0.13 -1.92 -2.46 132.00 133.47 3hx2 h PRO 124 Ca 0.16 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 3hx2 h PRO 124 Cb 0.76 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3hx2 h PRO 124 CO 0.79 0.32 -0.21 1.25 -0.23 0.00 0.00 178.00 179.92 3hx2 h HIS 125 N 0.50 -0.55 -0.95 1.56 2.76 -1.97 -0.31 115.15 116.20 3hx2 h HIS 125 Ca 0.31 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.54 3hx2 h HIS 125 Cb 0.56 0.18 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 3hx2 h HIS 125 CO -0.00 -0.32 0.60 1.25 -1.30 0.00 0.00 177.93 178.16 3hx2 h LEU 126 N -0.62 0.95 0.55 0.26 5.85 -1.90 0.25 115.31 120.65 3hx2 h LEU 126 Ca -0.06 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3hx2 h LEU 126 Cb 0.47 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hx2 h LEU 126 CO 0.10 0.59 -0.26 0.00 -0.34 0.00 0.00 178.44 178.53 3hx2 h ASP 128 N -0.75 0.17 -0.99 0.00 3.58 -0.68 -0.88 116.42 116.87 3hx2 h ASP 128 Ca -0.08 0.04 0.21 0.00 0.42 0.00 0.00 57.03 57.62 3hx2 h ASP 128 Cb 0.57 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.52 3hx2 h ASP 128 CO 0.12 0.14 0.58 0.15 -2.88 0.00 0.00 179.24 177.35 3hx2 h PHE 129 N 0.31 1.01 0.11 0.28 3.04 -0.30 0.61 116.94 121.99 3hx2 h PHE 129 Ca 0.17 0.04 -0.27 0.00 3.98 0.00 0.00 57.97 61.88 3hx2 h PHE 129 Cb 0.13 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 3hx2 h PHE 129 CO -0.13 0.15 -1.28 -0.07 -2.02 0.00 0.00 178.31 174.96 3hx2 h LEU 130 N 0.66 0.36 -0.59 0.59 3.38 -0.32 -2.93 115.31 116.47 3hx2 h LEU 130 Ca 0.60 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3hx2 h LEU 130 Cb 1.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3hx2 h LEU 130 CO -0.43 1.32 0.17 -0.33 0.09 0.00 0.00 178.44 179.27 3hx2 h GLU 131 N 0.06 0.93 -0.04 1.13 5.08 -0.12 0.13 114.58 121.76 3hx2 h GLU 131 Ca -0.14 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 3hx2 h GLU 131 Cb 1.96 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.08 3hx2 h GLU 131 CO 0.19 0.84 -0.24 1.15 -1.00 0.00 0.00 179.01 179.94 3hx2 h THR 132 N 0.84 1.47 -0.01 1.13 2.02 -1.03 -3.36 112.91 113.98 3hx2 h THR 132 Ca 0.19 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3hx2 h THR 132 Cb 0.31 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3hx2 h THR 132 CO -0.00 0.48 -0.50 1.41 0.37 0.00 0.00 175.52 177.28 3hx2 n HIS 133 N -4.52 0.00 0.02 3.16 8.25 -1.10 -4.86 115.22 116.17 3hx2 n HIS 133 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3hx2 n HIS 133 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.64 -0.19 -0.05 4.41 3.72 -0.11 -4.69 117.46 119.91 3hx2 n PHE 134 Ca 0.05 0.03 -0.08 0.00 -0.05 0.00 0.00 57.45 57.41 3hx2 n PHE 134 Cb 0.30 0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.98 3hx2 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx2 h LEU 135 N 0.00 -0.49 -0.90 4.37 3.38 -0.98 -1.66 115.31 119.03 3hx2 h LEU 135 Ca 0.00 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3hx2 h LEU 135 Cb 0.53 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3hx2 h LEU 135 CO 0.00 -0.19 -0.49 -0.78 0.09 0.00 0.00 178.44 177.08 3hx2 h ASP 136 N -0.13 0.16 0.07 -0.43 -0.00 -1.83 -2.67 116.42 111.60 3hx2 h ASP 136 Ca 0.14 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.03 57.00 3hx2 h ASP 136 Cb 0.34 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.61 3hx2 h ASP 136 CO -0.33 0.63 -0.28 -0.33 -0.00 0.00 0.00 179.24 178.93 3hx2 h GLU 137 N 0.12 0.34 -0.16 0.28 4.39 -1.72 -2.28 114.58 115.55 3hx2 h GLU 137 Ca 0.00 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 3hx2 h GLU 137 Cb 0.91 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3hx2 h GLU 137 CO 0.07 0.59 -0.31 0.93 -1.16 0.00 0.00 179.01 179.14 3hx2 h GLU 138 N 0.30 0.49 -0.07 2.33 4.39 -1.06 -2.27 114.58 118.69 3hx2 h GLU 138 Ca 0.04 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.45 3hx2 h GLU 138 Cb 0.65 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3hx2 h GLU 138 CO 0.05 0.92 -0.06 0.28 -1.16 0.00 0.00 179.01 179.04 3hx2 h VAL 139 N 0.12 0.83 -0.79 3.13 2.07 -1.36 0.14 116.25 120.39 3hx2 h VAL 139 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3hx2 h VAL 139 Cb 0.90 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3hx2 h VAL 139 CO 0.07 0.00 0.52 0.11 0.02 0.00 0.00 177.57 178.29 3hx2 h LYS 140 N -0.07 1.03 -0.46 1.57 1.57 -1.46 -0.18 116.57 118.57 3hx2 h LYS 140 Ca 0.05 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3hx2 h LYS 140 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hx2 h LYS 140 CO -0.11 0.68 -0.14 1.25 -0.57 0.00 0.00 179.45 180.56 3hx2 h LEU 141 N 1.07 0.93 -0.16 2.94 5.85 -1.08 -1.46 115.31 123.39 3hx2 h LEU 141 Ca 0.29 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hx2 h LEU 141 Cb -0.12 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 3hx2 h LEU 141 CO -0.07 1.09 0.06 0.40 -0.34 0.00 0.00 178.44 179.59 3hx2 h ILE 142 N 0.76 1.17 -0.98 4.05 2.04 -0.16 -0.57 117.51 123.82 3hx2 h ILE 142 Ca 0.11 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.54 3hx2 h ILE 142 Cb 0.70 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 3hx2 h ILE 142 CO 0.05 0.16 0.63 0.50 0.00 0.00 0.00 178.15 179.49 3hx2 h LYS 143 N 0.10 1.06 -0.65 2.37 1.63 -1.00 0.20 116.57 120.29 3hx2 h LYS 143 Ca 0.05 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 3hx2 h LYS 143 Cb 0.19 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 3hx2 h LYS 143 CO -0.00 0.70 0.28 -0.22 -3.45 0.00 0.00 179.45 176.76 3hx2 h LYS 144 N 1.10 0.95 -0.11 1.90 3.64 -0.78 -1.79 116.57 121.48 3hx2 h LYS 144 Ca 0.43 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3hx2 h LYS 144 Cb 0.25 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3hx2 h LYS 144 CO -0.18 0.79 -0.42 0.52 -2.27 0.00 0.00 179.45 177.88 3hx2 h MET 145 N 0.90 0.26 0.19 1.90 2.86 0.26 -2.42 114.93 118.87 3hx2 h MET 145 Ca 0.22 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3hx2 h MET 145 Cb 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hx2 h MET 145 CO -0.02 0.64 -0.09 0.78 1.06 0.00 0.00 176.91 179.28 3hx2 h GLY 146 N 1.23 -0.27 0.60 8.32 0.00 -0.07 -1.28 103.07 111.60 3hx2 h GLY 146 Ca 0.02 0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.54 3hx2 h GLY 146 CO 0.07 -0.10 0.61 -0.55 0.00 0.00 0.00 176.54 176.57 3hx2 h ASP 147 N -0.30 0.93 -0.22 0.19 5.19 -1.28 -0.62 116.42 120.31 3hx2 h ASP 147 Ca -0.03 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3hx2 h ASP 147 Cb 0.24 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3hx2 h ASP 147 CO 0.04 0.55 0.10 0.45 -3.12 0.00 0.00 179.24 177.27 3hx2 h HIS 148 N 1.04 0.32 -0.85 4.55 3.86 -0.99 -0.99 115.15 122.10 3hx2 h HIS 148 Ca 0.45 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.64 3hx2 h HIS 148 Cb 0.32 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 3hx2 h HIS 148 CO -0.01 0.33 0.53 -0.07 0.86 0.00 0.00 177.93 179.56 3hx2 h LEU 149 N 0.22 1.00 -0.90 2.43 3.38 -0.40 0.43 115.31 121.48 3hx2 h LEU 149 Ca 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hx2 h LEU 149 Cb 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hx2 h LEU 149 CO -0.01 0.76 0.53 0.74 0.09 0.00 0.00 178.44 180.55 3hx2 h THR 150 N 1.16 1.25 0.02 0.22 2.02 -0.88 -0.75 112.91 115.95 3hx2 h THR 150 Ca 0.31 -0.56 -0.22 0.00 0.77 0.00 0.00 66.41 66.71 3hx2 h THR 150 Cb -0.07 -0.01 0.02 0.00 -1.74 0.00 0.00 68.15 66.35 3hx2 h THR 150 CO -0.06 0.27 -0.87 0.78 0.37 0.00 0.00 175.52 176.00 3hx2 h ASN 151 N 1.24 0.74 -0.62 4.18 2.35 -0.37 -2.29 115.58 120.81 3hx2 h ASN 151 Ca 0.32 -0.76 0.01 0.00 -0.55 0.00 0.00 56.30 55.31 3hx2 h ASN 151 Cb -0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3hx2 h ASN 151 CO -0.06 1.41 0.41 -0.07 -1.65 0.00 0.00 177.43 177.47 3hx2 h LEU 152 N 0.15 0.71 -0.31 1.61 3.38 0.01 -1.75 115.31 119.10 3hx2 h LEU 152 Ca -0.11 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3hx2 h LEU 152 Cb 1.56 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3hx2 h LEU 152 CO 0.17 0.52 -0.37 -0.74 0.09 0.00 0.00 178.44 178.10 3hx2 h HIS 153 N 0.84 0.98 0.00 1.13 2.76 -1.16 -3.15 115.15 116.54 3hx2 h HIS 153 Ca 0.23 -0.31 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 3hx2 h HIS 153 Cb -0.09 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.67 3hx2 h HIS 153 CO -0.00 1.10 -0.06 -0.09 -1.30 0.00 0.00 177.93 177.58 3hx2 h ARG 154 N 0.58 0.00 -0.53 5.26 2.43 -0.73 -2.83 114.38 118.55 3hx2 h ARG 154 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hx2 h ARG 154 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3hx2 h ARG 154 CO 0.09 0.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.89 3hx2 n LEU 155 N -3.51 0.53 0.00 3.80 4.77 -0.85 -3.98 117.00 117.76 3hx2 n LEU 155 Ca -0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3hx2 n LEU 155 Cb 0.18 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3hx2 n LEU 155 CO 0.27 0.13 0.09 0.61 -1.33 0.00 0.00 177.39 177.17 3hx2 n GLY 156 N 0.19 -1.30 0.00 -0.72 0.00 -1.07 -4.86 105.19 97.44 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 0.69 0.61 0.44 -0.02 0.00 -1.26 -4.92 105.19 100.73 3hx2 n GLY 157 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3hx2 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx2 h PRO 158 N 0.00 -0.89 -1.36 1.61 0.13 -1.95 -3.19 132.00 126.36 3hx2 h PRO 158 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3hx2 h PRO 158 Cb 0.00 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.33 3hx2 h PRO 158 CO 0.00 -0.59 0.00 0.39 -0.23 0.00 0.00 178.00 177.57 3hx2 n GLU 159 N -5.12 0.59 0.00 0.86 4.71 -1.26 -4.36 120.64 116.06 3hx2 n GLU 159 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 3hx2 n GLU 159 Cb 0.41 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 3hx2 n GLU 159 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hx2 n ALA 160 N 0.67 1.54 -3.71 0.62 0.00 -1.21 -4.29 120.51 114.14 3hx2 n ALA 160 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3hx2 n ALA 160 Cb 0.28 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 3hx2 n ALA 160 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hx2 s GLY 161 N -1.20 2.25 0.00 0.00 0.00 -1.26 -4.92 107.32 102.20 3hx2 s GLY 161 Ca 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 44.72 41.83 3hx2 s GLY 161 CO 0.00 1.08 0.00 1.04 0.00 0.00 0.00 173.10 175.22 3hx2 n LEU 162 N 4.11 0.00 -4.55 0.66 4.77 -1.26 -4.76 117.00 115.97 3hx2 n LEU 162 Ca 0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 3hx2 n LEU 162 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3hx2 n LEU 162 CO 0.35 0.00 1.88 0.61 -1.33 0.00 0.00 177.39 178.89 3hx2 n GLY 163 N 3.29 0.03 0.26 -0.72 0.00 -1.26 -4.86 105.19 101.93 3hx2 n GLY 163 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 3hx2 n GLY 163 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hx2 h GLU 164 N 17.27 -0.60 -0.03 1.61 5.08 -2.05 -3.57 114.58 132.30 3hx2 h GLU 164 Ca -0.16 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hx2 h GLU 164 Cb 1.21 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3hx2 h GLU 164 CO 1.16 -0.40 0.00 0.66 -1.00 0.00 0.00 179.01 179.43