#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 n MET 1 N 0.00 1.86 -3.82 -0.14 2.81 -1.26 -5.00 117.12 111.57 3hx5 n MET 1 Ca 0.00 0.56 -0.35 0.00 -1.81 0.00 0.00 57.70 56.10 3hx5 n MET 1 Cb 0.00 -2.93 -0.08 0.00 -0.71 0.00 0.00 33.22 29.50 3hx5 n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3hx5 s SER 2 N 7.07 6.12 0.31 7.83 0.15 -1.26 -5.06 113.70 128.86 3hx5 s SER 2 Ca 1.01 0.25 -0.29 0.00 0.70 0.00 0.00 55.95 57.61 3hx5 s SER 2 Cb -0.53 -2.05 -0.10 0.00 -1.71 0.00 0.00 66.02 61.63 3hx5 s SER 2 CO 0.42 0.23 1.27 -0.94 1.20 0.00 0.00 173.24 175.42 3hx5 s SER 3 N 0.08 6.87 0.04 5.45 1.04 -1.26 -4.93 113.70 120.99 3hx5 s SER 3 Ca 0.09 2.59 0.02 0.00 0.48 0.00 0.00 55.95 59.12 3hx5 s SER 3 Cb -0.11 -2.64 0.11 0.00 0.10 0.00 0.00 66.02 63.47 3hx5 s SER 3 CO -0.00 -0.46 0.94 0.00 0.98 0.00 0.00 173.24 174.69 3hx5 n GLN 4 N 1.05 0.01 0.00 4.02 10.64 -1.26 -2.24 117.38 129.60 3hx5 n GLN 4 Ca 0.00 0.40 0.05 0.00 -1.83 0.00 0.00 57.00 55.62 3hx5 n GLN 4 Cb 0.42 -1.68 -0.06 0.00 -0.86 0.00 0.00 30.24 28.07 3hx5 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx5 n ILE 5 N -1.46 0.00 -1.80 -0.39 -5.35 -1.26 -5.03 119.36 104.06 3hx5 n ILE 5 Ca -0.00 -0.27 -0.39 0.00 -0.27 0.00 0.00 62.75 61.82 3hx5 n ILE 5 Cb 0.14 1.00 0.03 0.00 -1.74 0.00 0.00 39.64 39.07 3hx5 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx5 s ARG 6 N -1.92 3.35 -0.30 6.28 3.52 -0.95 -4.82 118.95 124.11 3hx5 s ARG 6 Ca 0.04 2.29 -0.16 0.00 -0.13 0.00 0.00 55.73 57.76 3hx5 s ARG 6 Cb 0.07 -2.41 0.17 0.00 -1.56 0.00 0.00 34.95 31.23 3hx5 s ARG 6 CO 0.40 -1.04 1.09 -1.14 -0.81 0.00 0.00 175.30 173.80 3hx5 s GLN 7 N -2.74 0.22 -2.02 5.12 0.74 -1.26 -4.95 119.66 114.77 3hx5 s GLN 7 Ca 0.68 0.49 0.00 0.00 0.05 0.00 0.00 55.36 56.57 3hx5 s GLN 7 Cb -0.41 0.24 0.00 0.00 1.10 0.00 0.00 33.01 33.93 3hx5 s GLN 7 CO 0.50 -0.07 0.00 -1.71 -0.55 0.00 0.00 175.29 173.47 3hx5 n ASN 8 N 4.45 -5.45 -4.19 6.67 5.15 -1.26 -4.94 115.26 115.69 3hx5 n ASN 8 Ca -0.11 0.35 -0.40 0.00 -0.60 0.00 0.00 54.58 53.83 3hx5 n ASN 8 Cb 0.55 -4.74 -0.09 0.00 -0.53 0.00 0.00 39.78 34.96 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx5 s TYR 9 N -2.80 3.47 0.49 1.20 5.04 -1.26 -4.78 117.35 118.71 3hx5 s TYR 9 Ca 0.00 -2.03 -0.22 0.00 -2.44 0.00 0.00 57.07 52.38 3hx5 s TYR 9 Cb 0.00 -3.44 -0.07 0.00 0.35 0.00 0.00 41.96 38.81 3hx5 s TYR 9 CO 0.00 -0.99 1.16 -1.54 -1.34 0.00 0.00 175.55 172.85 3hx5 s SER 10 N 2.41 5.99 0.55 4.32 1.04 -1.26 -4.93 113.70 121.83 3hx5 s SER 10 Ca 0.07 2.29 0.33 0.00 0.48 0.00 0.00 55.95 59.11 3hx5 s SER 10 Cb -0.25 -2.60 1.51 0.00 0.10 0.00 0.00 66.02 64.78 3hx5 s SER 10 CO -0.02 -1.04 2.05 0.71 0.98 0.00 0.00 173.24 175.92 3hx5 h THR 11 N 1.64 0.20 0.59 2.02 1.35 -1.99 -2.13 112.91 114.60 3hx5 h THR 11 Ca -0.50 -0.52 -0.03 0.00 -0.55 0.00 0.00 66.41 64.82 3hx5 h THR 11 Cb 1.25 1.43 0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3hx5 h THR 11 CO 0.59 0.06 -0.28 0.44 -0.25 0.00 0.00 175.52 176.07 3hx5 h ASP 12 N 0.00 -0.67 -0.56 5.36 3.45 -2.00 -2.34 116.42 119.66 3hx5 h ASP 12 Ca -0.00 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.38 3hx5 h ASP 12 Cb 0.42 0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.34 3hx5 h ASP 12 CO 0.01 -0.38 0.15 0.58 -1.57 0.00 0.00 179.24 178.02 3hx5 h VAL 13 N -0.94 1.24 -0.58 -1.35 2.07 -1.90 -1.47 116.25 113.32 3hx5 h VAL 13 Ca -0.08 -0.86 0.11 0.00 0.82 0.00 0.00 66.70 66.69 3hx5 h VAL 13 Cb 0.65 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 3hx5 h VAL 13 CO 0.13 0.32 0.13 -0.08 0.02 0.00 0.00 177.57 178.09 3hx5 h GLU 14 N 0.79 0.26 -0.35 1.57 4.81 -1.39 0.22 114.58 120.49 3hx5 h GLU 14 Ca 0.18 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 3hx5 h GLU 14 Cb 0.33 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3hx5 h GLU 14 CO -0.00 0.17 -0.45 0.00 -0.73 0.00 0.00 179.01 178.00 3hx5 h ALA 15 N 1.46 0.54 -0.06 2.92 0.00 -1.27 -2.68 119.26 120.16 3hx5 h ALA 15 Ca 0.30 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hx5 h ALA 15 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hx5 h ALA 15 CO -0.38 0.68 -0.09 0.00 0.00 0.00 0.00 179.25 179.46 3hx5 h ALA 16 N 0.75 1.74 0.15 0.00 0.00 -0.25 -1.09 119.26 120.56 3hx5 h ALA 16 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 16 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hx5 h ALA 16 CO 0.11 0.20 -0.07 0.28 0.00 0.00 0.00 179.25 179.76 3hx5 h VAL 17 N 0.09 0.98 -0.40 0.00 2.07 -0.42 -0.24 116.25 118.33 3hx5 h VAL 17 Ca 0.02 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.89 3hx5 h VAL 17 Cb 0.22 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3hx5 h VAL 17 CO 0.01 0.17 0.28 0.78 0.02 0.00 0.00 177.57 178.83 3hx5 h ASN 18 N -0.57 0.14 -0.23 0.57 2.35 -1.10 0.21 115.58 116.95 3hx5 h ASN 18 Ca -0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 3hx5 h ASN 18 Cb 0.44 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3hx5 h ASN 18 CO 0.03 0.09 -0.17 -1.28 -1.65 0.00 0.00 177.43 174.45 3hx5 h SER 19 N 0.16 0.55 -0.19 5.81 0.87 -0.97 -2.70 113.55 117.07 3hx5 h SER 19 Ca 0.19 -0.45 -0.08 0.00 -1.23 0.00 0.00 61.79 60.21 3hx5 h SER 19 Cb 0.53 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3hx5 h SER 19 CO -0.03 0.88 -0.14 0.25 -0.53 0.00 0.00 176.83 177.27 3hx5 h LEU 20 N 0.22 0.57 -0.76 2.23 5.85 0.91 -1.68 115.31 122.65 3hx5 h LEU 20 Ca 0.04 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3hx5 h LEU 20 Cb 0.71 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3hx5 h LEU 20 CO 0.05 0.74 0.48 0.58 -0.34 0.00 0.00 178.44 179.95 3hx5 h VAL 21 N 0.53 1.21 -0.08 1.05 2.07 -0.62 -1.18 116.25 119.23 3hx5 h VAL 21 Ca 0.09 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 3hx5 h VAL 21 Cb 0.55 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3hx5 h VAL 21 CO 0.03 0.21 -0.57 -1.13 0.02 0.00 0.00 177.57 176.13 3hx5 h ASN 22 N 1.04 0.27 0.76 0.57 -0.73 -1.17 -1.74 115.58 114.59 3hx5 h ASN 22 Ca 0.28 -0.15 -0.04 0.00 1.87 0.00 0.00 56.30 58.26 3hx5 h ASN 22 Cb -0.08 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 3hx5 h ASN 22 CO -0.06 0.79 -0.18 0.25 -0.37 0.00 0.00 177.43 177.86 3hx5 h LEU 23 N 0.18 0.00 0.13 0.34 5.85 -0.62 -1.35 115.31 119.84 3hx5 h LEU 23 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 3hx5 h LEU 23 Cb 1.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3hx5 h LEU 23 CO 0.09 0.18 -1.72 1.88 -0.34 0.00 0.00 178.44 178.53 3hx5 h TYR 24 N 0.00 0.49 -0.08 1.25 -1.99 -0.99 -3.03 116.97 112.62 3hx5 h TYR 24 Ca -0.00 -0.35 -0.01 0.00 2.00 0.00 0.00 58.73 60.36 3hx5 h TYR 24 Cb 0.61 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 3hx5 h TYR 24 CO 0.00 1.51 0.00 -0.07 -0.00 0.00 0.00 178.16 179.61 3hx5 h LEU 25 N 0.07 0.10 0.55 3.88 3.38 -1.04 0.15 115.31 122.40 3hx5 h LEU 25 Ca -0.32 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3hx5 h LEU 25 Cb 2.04 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.77 3hx5 h LEU 25 CO 0.14 0.12 -0.26 -0.61 0.09 0.00 0.00 178.44 177.92 3hx5 h GLN 26 N 0.11 -0.71 -0.54 1.13 5.75 -1.32 -2.15 115.11 117.38 3hx5 h GLN 26 Ca 0.03 0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.62 3hx5 h GLN 26 Cb 0.08 0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 3hx5 h GLN 26 CO 0.00 -0.41 0.36 0.00 -2.65 0.00 0.00 178.83 176.13 3hx5 h ALA 27 N -0.82 1.79 0.24 3.38 0.00 -1.32 -0.84 119.26 121.70 3hx5 h ALA 27 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hx5 h ALA 27 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hx5 h ALA 27 CO 0.12 0.14 -0.12 1.03 0.00 0.00 0.00 179.25 180.43 3hx5 h SER 28 N 0.57 -0.28 -0.79 0.00 0.87 -0.66 -1.13 113.55 112.13 3hx5 h SER 28 Ca 0.22 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3hx5 h SER 28 Cb 0.18 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 3hx5 h SER 28 CO -0.06 -0.16 0.52 0.22 -0.53 0.00 0.00 176.83 176.82 3hx5 h TYR 29 N -0.36 0.98 -0.48 2.24 3.20 -0.68 -0.46 116.97 121.40 3hx5 h TYR 29 Ca -0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3hx5 h TYR 29 Cb 0.28 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3hx5 h TYR 29 CO -0.05 0.60 0.17 1.15 -1.64 0.00 0.00 178.16 178.40 3hx5 h THR 30 N 1.04 1.22 -0.00 1.81 2.02 -0.89 -2.48 112.91 115.63 3hx5 h THR 30 Ca 0.30 -0.70 -0.11 0.00 0.77 0.00 0.00 66.41 66.67 3hx5 h THR 30 Cb -0.08 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3hx5 h THR 30 CO -0.07 0.26 -0.50 1.88 0.37 0.00 0.00 175.52 177.46 3hx5 h TYR 31 N 0.64 0.02 -0.63 3.16 0.05 -0.48 -0.67 116.97 119.05 3hx5 h TYR 31 Ca 0.16 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 3hx5 h TYR 31 Cb 0.23 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 3hx5 h TYR 31 CO 0.01 0.51 0.07 1.25 -1.05 0.00 0.00 178.16 178.95 3hx5 h LEU 32 N 0.01 1.01 0.12 3.88 5.85 -0.87 -0.76 115.31 124.55 3hx5 h LEU 32 Ca -0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3hx5 h LEU 32 Cb 0.89 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3hx5 h LEU 32 CO 0.07 1.02 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.85 3hx5 h SER 33 N 0.98 -0.14 -0.99 1.25 0.87 -1.13 -2.46 113.55 111.94 3hx5 h SER 33 Ca 0.19 -0.38 0.21 0.00 -1.23 0.00 0.00 61.79 60.59 3hx5 h SER 33 Cb 0.46 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.36 3hx5 h SER 33 CO 0.02 0.34 0.62 -0.07 -0.53 0.00 0.00 176.83 177.21 3hx5 h LEU 34 N -0.65 0.61 0.68 2.23 3.38 -1.07 -1.33 115.31 119.16 3hx5 h LEU 34 Ca -0.02 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hx5 h LEU 34 Cb 0.50 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hx5 h LEU 34 CO 0.03 0.20 -0.33 1.23 0.09 0.00 0.00 178.44 179.66 3hx5 h GLY 35 N 0.59 -0.95 2.00 0.83 0.00 -1.04 -3.15 103.07 101.35 3hx5 h GLY 35 Ca 0.56 0.35 0.00 0.00 0.00 0.00 0.00 47.33 48.24 3hx5 h GLY 35 CO -0.31 -0.35 0.00 0.69 0.00 0.00 0.00 176.54 176.57 3hx5 n PHE 36 N -4.97 0.32 -0.01 5.60 3.01 -0.93 -2.05 117.46 118.42 3hx5 n PHE 36 Ca -0.11 0.15 -0.17 0.00 1.01 0.00 0.00 57.45 58.33 3hx5 n PHE 36 Cb 0.36 -0.74 -0.10 0.00 -0.01 0.00 0.00 39.48 38.99 3hx5 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx5 h TYR 37 N 0.00 0.57 0.00 1.38 3.20 -1.22 -3.06 116.97 117.84 3hx5 h TYR 37 Ca 0.00 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3hx5 h TYR 37 Cb 0.13 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3hx5 h TYR 37 CO 0.00 1.08 0.00 1.19 -1.64 0.00 0.00 178.16 178.79 3hx5 n PHE 38 N -4.28 0.00 0.45 -3.82 3.72 -0.87 -1.88 117.46 110.78 3hx5 n PHE 38 Ca -0.10 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.42 3hx5 n PHE 38 Cb 0.62 -0.09 0.08 0.00 -0.94 0.00 0.00 39.48 39.15 3hx5 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx5 n ASP 39 N -1.09 0.70 -4.68 4.37 -0.08 -1.16 -1.52 116.55 113.09 3hx5 n ASP 39 Ca 0.16 0.08 -0.42 0.00 -1.51 0.00 0.00 54.79 53.10 3hx5 n ASP 39 Cb 0.12 0.43 -0.00 0.00 2.34 0.00 0.00 41.12 44.01 3hx5 n ASP 39 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hx5 n ARG 40 N -2.21 1.94 0.02 -0.67 1.74 -0.79 -4.65 116.66 112.05 3hx5 n ARG 40 Ca 0.02 0.68 0.04 0.00 -0.77 0.00 0.00 57.85 57.82 3hx5 n ARG 40 Cb 0.47 -2.25 0.43 0.00 -1.02 0.00 0.00 32.46 30.09 3hx5 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx5 h ASP 41 N 2.34 0.43 -0.07 0.55 2.03 -1.91 0.76 116.42 120.53 3hx5 h ASP 41 Ca -0.45 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3hx5 h ASP 41 Cb 1.30 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3hx5 h ASP 41 CO 0.61 0.34 0.00 -0.90 -1.03 0.00 0.00 179.24 178.26 3hx5 n ASP 42 N -4.45 0.55 0.01 4.15 3.85 -1.26 -3.97 116.55 115.43 3hx5 n ASP 42 Ca 0.02 -1.66 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 3hx5 n ASP 42 Cb 0.09 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 3hx5 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx5 n VAL 43 N -0.35 0.13 -3.41 2.12 0.31 -0.60 -5.09 118.33 111.44 3hx5 n VAL 43 Ca 0.11 0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.28 3hx5 n VAL 43 Cb 0.13 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3hx5 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx5 n ALA 44 N -2.96 -2.32 -3.44 3.52 0.00 0.25 -4.95 120.51 110.61 3hx5 n ALA 44 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 3hx5 n ALA 44 Cb 0.33 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 3hx5 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx5 n LEU 45 N -1.83 1.06 -0.14 0.00 4.77 -0.57 -4.97 117.00 115.31 3hx5 n LEU 45 Ca -0.22 -4.80 0.21 0.00 -0.03 0.00 0.00 56.01 51.17 3hx5 n LEU 45 Cb 0.53 0.13 0.61 0.00 -2.33 0.00 0.00 43.42 42.36 3hx5 n LEU 45 CO 0.48 1.93 1.22 -0.33 -1.33 0.00 0.00 177.39 179.36 3hx5 h GLU 46 N 4.88 0.19 -0.72 3.23 4.39 -1.93 0.81 114.58 125.43 3hx5 h GLU 46 Ca 0.18 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 3hx5 h GLU 46 Cb 0.83 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 3hx5 h GLU 46 CO 0.54 0.13 0.35 0.78 -1.16 0.00 0.00 179.01 179.64 3hx5 h GLY 47 N 0.20 1.10 1.14 -3.84 0.00 -1.94 -0.42 103.07 99.30 3hx5 h GLY 47 Ca 0.37 -0.52 -0.33 0.00 0.00 0.00 0.00 47.33 46.85 3hx5 h GLY 47 CO -0.07 0.50 -1.59 -2.08 0.00 0.00 0.00 176.54 173.29 3hx5 h VAL 48 N 1.02 1.12 -0.29 4.60 2.07 -1.43 -3.09 116.25 120.25 3hx5 h VAL 48 Ca 0.25 -2.67 0.05 0.00 0.82 0.00 0.00 66.70 65.15 3hx5 h VAL 48 Cb 0.10 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 3hx5 h VAL 48 CO -0.03 0.84 0.03 -1.28 0.02 0.00 0.00 177.57 177.14 3hx5 h SER 49 N 0.11 -0.05 -0.35 0.57 0.87 -0.70 -2.14 113.55 111.86 3hx5 h SER 49 Ca -0.28 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3hx5 h SER 49 Cb 2.09 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 64.13 3hx5 h SER 49 CO 0.20 0.01 0.23 -0.74 -0.53 0.00 0.00 176.83 176.00 3hx5 h HIS 50 N 0.12 0.45 -0.89 2.24 2.76 -1.20 -1.91 115.15 116.71 3hx5 h HIS 50 Ca 0.14 0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.52 3hx5 h HIS 50 Cb 0.16 -0.15 -0.12 0.00 1.55 0.00 0.00 27.41 28.86 3hx5 h HIS 50 CO -0.19 0.29 0.41 0.35 -1.30 0.00 0.00 177.93 177.49 3hx5 h PHE 51 N 0.47 0.69 0.00 5.26 3.57 -1.31 0.36 116.94 125.97 3hx5 h PHE 51 Ca 0.13 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.45 3hx5 h PHE 51 Cb -0.04 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3hx5 h PHE 51 CO -0.05 0.01 -1.08 0.74 -2.23 0.00 0.00 178.31 175.70 3hx5 h PHE 52 N 0.46 0.00 0.00 0.41 0.05 -1.20 -3.05 116.94 113.60 3hx5 h PHE 52 Ca 0.54 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 62.26 3hx5 h PHE 52 Cb 0.97 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.91 3hx5 h PHE 52 CO -0.12 0.98 -0.32 0.00 -0.18 0.00 0.00 178.31 178.66 3hx5 h ARG 53 N 0.00 0.00 0.09 1.51 3.08 -0.24 -0.58 114.38 118.23 3hx5 h ARG 53 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3hx5 h ARG 53 Cb 1.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.84 3hx5 h ARG 53 CO 0.12 0.32 -0.04 0.93 -1.07 0.00 0.00 179.97 180.23 3hx5 h GLU 54 N 0.00 -0.12 -0.41 0.04 5.08 -1.02 -3.05 114.58 115.10 3hx5 h GLU 54 Ca -0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3hx5 h GLU 54 Cb 0.64 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3hx5 h GLU 54 CO 0.04 0.29 0.28 -0.07 -1.00 0.00 0.00 179.01 178.55 3hx5 h LEU 55 N -0.56 0.27 -1.78 1.33 3.38 -1.35 0.97 115.31 117.57 3hx5 h LEU 55 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 55 Cb 0.46 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hx5 h LEU 55 CO 0.02 0.17 -0.16 0.00 0.09 0.00 0.00 178.44 178.57 3hx5 h ALA 56 N 1.78 1.43 0.02 1.53 0.00 -1.01 -1.92 119.26 121.09 3hx5 h ALA 56 Ca 0.18 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 3hx5 h ALA 56 Cb 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3hx5 h ALA 56 CO -0.04 0.20 -1.63 1.49 0.00 0.00 0.00 179.25 179.26 3hx5 h GLU 57 N 0.00 0.04 0.00 0.00 4.57 -0.77 -3.07 114.58 115.35 3hx5 h GLU 57 Ca -0.00 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3hx5 h GLU 57 Cb 0.35 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3hx5 h GLU 57 CO 0.02 0.65 -0.24 0.93 -1.18 0.00 0.00 179.01 179.18 3hx5 h GLU 58 N 0.01 0.00 0.20 1.92 5.08 -0.73 -0.70 114.58 120.36 3hx5 h GLU 58 Ca -0.26 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.80 3hx5 h GLU 58 Cb 1.99 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.27 3hx5 h GLU 58 CO 0.09 0.24 -1.31 0.87 -1.00 0.00 0.00 179.01 177.91 3hx5 h LYS 59 N 0.00 0.54 -0.46 2.33 1.79 -1.46 -2.06 116.57 117.25 3hx5 h LYS 59 Ca -0.00 -0.84 -0.03 0.00 -2.18 0.00 0.00 60.65 57.59 3hx5 h LYS 59 Cb 0.51 0.30 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 3hx5 h LYS 59 CO 0.03 1.40 0.15 -0.09 -1.08 0.00 0.00 179.45 179.85 3hx5 h ARG 60 N 0.11 0.67 0.00 3.15 2.43 -1.35 -0.39 114.38 118.99 3hx5 h ARG 60 Ca -0.22 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 3hx5 h ARG 60 Cb 2.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.43 3hx5 h ARG 60 CO 0.25 0.58 -0.56 0.93 -1.51 0.00 0.00 179.97 179.66 3hx5 h GLU 61 N 0.66 0.00 -0.08 0.20 5.08 -1.16 -1.68 114.58 117.60 3hx5 h GLU 61 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3hx5 h GLU 61 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hx5 h GLU 61 CO -0.01 0.56 -0.12 0.78 -1.00 0.00 0.00 179.01 179.23 3hx5 h GLY 62 N 1.93 0.24 2.00 -3.84 0.00 -0.40 -2.58 103.07 100.42 3hx5 h GLY 62 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3hx5 h GLY 62 CO 0.07 0.24 -0.55 0.10 0.00 0.00 0.00 176.54 176.40 3hx5 h TYR 63 N -0.24 0.00 -0.00 5.60 -0.00 -1.13 -1.94 116.97 119.26 3hx5 h TYR 63 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.62 3hx5 h TYR 63 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.38 3hx5 h TYR 63 CO 0.10 0.55 -0.57 0.93 -0.00 0.00 0.00 178.16 179.17 3hx5 h GLU 64 N 0.00 0.01 0.00 0.10 5.08 -1.36 0.56 114.58 118.97 3hx5 h GLU 64 Ca -0.01 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3hx5 h GLU 64 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3hx5 h GLU 64 CO 0.07 0.58 -0.87 -0.09 -1.00 0.00 0.00 179.01 177.70 3hx5 h ARG 65 N 0.01 0.20 -0.21 2.33 2.43 -1.21 -1.69 114.38 116.25 3hx5 h ARG 65 Ca -0.01 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 3hx5 h ARG 65 Cb 1.02 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3hx5 h ARG 65 CO 0.08 0.95 -0.20 -0.07 -1.51 0.00 0.00 179.97 179.21 3hx5 h LEU 66 N 0.11 0.54 -1.13 3.80 3.38 -0.99 -2.38 115.31 118.64 3hx5 h LEU 66 Ca -0.04 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 3hx5 h LEU 66 Cb 1.50 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 3hx5 h LEU 66 CO 0.13 0.91 0.03 -0.07 0.09 0.00 0.00 178.44 179.53 3hx5 h LEU 67 N 0.19 0.60 0.07 1.67 3.38 -0.88 -0.81 115.31 119.52 3hx5 h LEU 67 Ca 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 67 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hx5 h LEU 67 CO 0.05 0.65 -0.03 0.50 0.09 0.00 0.00 178.44 179.70 3hx5 h LYS 68 N 0.61 -0.08 -0.35 1.13 1.63 -1.27 -2.79 116.57 115.44 3hx5 h LYS 68 Ca 0.13 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3hx5 h LYS 68 Cb 0.34 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3hx5 h LYS 68 CO 0.01 0.22 0.23 1.98 -3.45 0.00 0.00 179.45 178.45 3hx5 h MET 69 N -0.40 0.31 0.47 1.90 4.05 -1.24 -1.14 114.93 118.89 3hx5 h MET 69 Ca -0.01 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 3hx5 h MET 69 Cb 0.35 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3hx5 h MET 69 CO 0.01 0.20 -0.30 0.37 0.23 0.00 0.00 176.91 177.43 3hx5 h GLN 70 N 0.32 -0.70 -0.07 0.39 5.75 -0.93 -1.28 115.11 118.59 3hx5 h GLN 70 Ca 0.15 0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 3hx5 h GLN 70 Cb 0.19 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 3hx5 h GLN 70 CO -0.03 -0.46 0.12 -0.91 -2.65 0.00 0.00 178.83 174.90 3hx5 h ASN 71 N -0.72 0.00 -0.20 -0.69 4.21 -1.15 -1.44 115.58 115.59 3hx5 h ASN 71 Ca -0.06 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.26 3hx5 h ASN 71 Cb 0.58 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.79 3hx5 h ASN 71 CO 0.06 0.00 -0.60 1.56 -1.29 0.00 0.00 177.43 177.16 3hx5 h GLN 72 N 0.00 0.76 0.00 0.81 4.20 -0.71 -3.23 115.11 116.95 3hx5 h GLN 72 Ca 0.03 -0.55 -0.10 0.00 0.06 0.00 0.00 58.65 58.10 3hx5 h GLN 72 Cb 0.27 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3hx5 h GLN 72 CO -0.00 1.17 -0.46 0.00 -0.67 0.00 0.00 178.83 178.87 3hx5 h ARG 73 N 0.48 0.00 0.00 1.46 2.47 -0.19 -3.48 114.38 115.13 3hx5 h ARG 73 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3hx5 h ARG 73 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 3hx5 h ARG 73 CO 0.13 0.46 0.00 0.41 0.56 0.00 0.00 179.97 181.52 3hx5 n GLY 74 N 0.76 2.18 3.30 0.04 0.00 -0.90 -4.10 105.19 106.48 3hx5 n GLY 74 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3hx5 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 75 N -0.07 -2.94 3.22 -0.02 0.00 -1.14 -4.83 105.19 99.42 3hx5 n GLY 75 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 3hx5 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx5 s ARG 76 N -4.48 1.88 -0.07 1.61 1.81 -1.26 -4.35 118.95 114.09 3hx5 s ARG 76 Ca 0.64 -0.76 -0.27 0.00 -1.72 0.00 0.00 55.73 53.63 3hx5 s ARG 76 Cb -0.17 -1.73 -0.03 0.00 -0.45 0.00 0.00 34.95 32.56 3hx5 s ARG 76 CO 0.60 0.41 0.85 0.00 -0.68 0.00 0.00 175.30 176.47 3hx5 s ALA 77 N -0.34 3.32 -0.17 2.13 0.00 -1.26 -4.94 121.76 120.50 3hx5 s ALA 77 Ca 0.04 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.28 3hx5 s ALA 77 Cb -0.10 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3hx5 s ALA 77 CO 0.00 -0.30 -0.15 -0.51 0.00 0.00 0.00 175.76 174.80 3hx5 s LEU 78 N 1.26 1.96 -0.14 0.00 1.43 -1.26 -5.13 118.68 116.81 3hx5 s LEU 78 Ca 0.44 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 3hx5 s LEU 78 Cb -0.19 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3hx5 s LEU 78 CO 0.20 -0.05 0.13 -0.36 0.23 0.00 0.00 176.35 176.50 3hx5 s PHE 79 N 1.40 3.53 0.47 0.29 0.08 -1.26 -4.87 117.98 117.62 3hx5 s PHE 79 Ca 0.04 0.46 0.04 0.00 0.12 0.00 0.00 56.93 57.59 3hx5 s PHE 79 Cb -0.14 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3hx5 s PHE 79 CO -0.11 0.61 0.03 -0.65 -0.10 0.00 0.00 175.22 175.00 3hx5 s GLN 80 N -0.67 2.11 0.38 0.44 -1.52 -1.26 -5.11 119.66 114.03 3hx5 s GLN 80 Ca 0.13 -2.25 -0.27 0.00 -1.95 0.00 0.00 55.36 51.02 3hx5 s GLN 80 Cb -0.12 -1.62 -0.11 0.00 -0.22 0.00 0.00 33.01 30.95 3hx5 s GLN 80 CO 0.02 -0.24 1.39 -0.25 -0.25 0.00 0.00 175.29 175.97 3hx5 n ASP 81 N -1.16 3.26 -4.48 5.90 10.43 -1.26 -4.97 116.55 124.26 3hx5 n ASP 81 Ca -0.12 1.19 -0.41 0.00 2.57 0.00 0.00 54.79 58.02 3hx5 n ASP 81 Cb 0.67 -1.56 -0.11 0.00 1.84 0.00 0.00 41.12 41.96 3hx5 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx5 s ILE 82 N -1.13 5.11 0.32 0.53 1.01 -1.26 -5.06 121.20 120.73 3hx5 s ILE 82 Ca 0.56 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 3hx5 s ILE 82 Cb -0.51 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 3hx5 s ILE 82 CO 0.62 -0.13 1.27 -0.54 0.00 0.00 0.00 174.94 176.15 3hx5 s LYS 83 N 1.67 4.40 0.86 2.79 1.02 -1.26 -5.00 119.74 124.22 3hx5 s LYS 83 Ca 0.05 2.13 -0.11 0.00 0.02 0.00 0.00 55.97 58.07 3hx5 s LYS 83 Cb -0.18 -3.08 0.11 0.00 -0.52 0.00 0.00 37.83 34.16 3hx5 s LYS 83 CO 0.09 -0.12 1.14 -1.59 -0.92 0.00 0.00 175.35 173.95 3hx5 s LYS 84 N -1.75 1.44 0.86 1.68 -2.85 -1.26 -4.89 119.74 112.97 3hx5 s LYS 84 Ca 0.48 1.48 -0.12 0.00 -1.00 0.00 0.00 55.97 56.82 3hx5 s LYS 84 Cb -0.38 -1.78 0.11 0.00 -2.06 0.00 0.00 37.83 33.72 3hx5 s LYS 84 CO 0.50 -2.31 1.18 -2.14 0.10 0.00 0.00 175.35 172.68 3hx5 s PRO 85 N -4.63 1.32 0.64 1.78 0.02 -1.26 -4.90 135.00 127.97 3hx5 s PRO 85 Ca 0.66 1.65 0.39 0.00 0.02 0.00 0.00 61.00 63.72 3hx5 s PRO 85 Cb -0.22 -1.75 2.19 0.00 0.02 0.00 0.00 34.50 34.74 3hx5 s PRO 85 CO 0.56 -2.43 2.33 0.00 -0.33 0.00 0.00 177.00 177.13 3hx5 h ALA 86 N -1.40 1.21 -3.92 -1.55 0.00 -1.97 -3.44 119.26 108.19 3hx5 h ALA 86 Ca -0.45 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 3hx5 h ALA 86 Cb 1.28 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3hx5 h ALA 86 CO 0.44 0.00 -0.22 0.39 0.00 0.00 0.00 179.25 179.86 3hx5 n GLU 87 N -3.39 0.25 0.00 0.00 -0.58 -1.26 -5.03 120.64 110.63 3hx5 n GLU 87 Ca -0.03 -1.59 0.00 0.00 -0.42 0.00 0.00 57.16 55.12 3hx5 n GLU 87 Cb 0.08 1.26 0.00 0.00 -0.57 0.00 0.00 31.44 32.21 3hx5 n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hx5 n ASP 88 N -2.32 0.03 -3.68 1.62 8.00 -1.26 -5.00 116.55 113.93 3hx5 n ASP 88 Ca 0.03 -0.23 -0.15 0.00 0.71 0.00 0.00 54.79 55.15 3hx5 n ASP 88 Cb 0.29 0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.42 3hx5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx5 s GLU 89 N -0.17 0.09 -0.01 -1.24 2.02 -1.26 -5.02 118.70 113.11 3hx5 s GLU 89 Ca 0.00 0.58 0.21 0.00 0.02 0.00 0.00 54.97 55.79 3hx5 s GLU 89 Cb 0.00 -0.18 0.63 0.00 0.10 0.00 0.00 34.13 34.68 3hx5 s GLU 89 CO 0.00 -0.27 1.52 0.91 0.02 0.00 0.00 175.26 177.45 3hx5 n TRP 90 N 5.05 0.97 -1.25 1.61 7.02 -1.26 -5.06 117.44 124.52 3hx5 n TRP 90 Ca -0.10 -0.51 0.00 0.00 -1.02 0.00 0.00 57.50 55.87 3hx5 n TRP 90 Cb 0.50 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 3hx5 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx5 n GLY 91 N 1.54 2.15 3.96 6.99 0.00 -1.26 -3.47 105.19 115.09 3hx5 n GLY 91 Ca 0.24 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3hx5 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx5 s LYS 92 N 0.00 2.36 0.12 1.61 1.02 -1.26 -4.91 119.74 118.68 3hx5 s LYS 92 Ca 0.00 -0.58 -0.33 0.00 0.02 0.00 0.00 55.97 55.08 3hx5 s LYS 92 Cb 0.00 -2.35 -0.11 0.00 -0.52 0.00 0.00 37.83 34.85 3hx5 s LYS 92 CO 0.00 -0.96 1.56 1.15 -0.92 0.00 0.00 175.35 176.18 3hx5 h THR 93 N -0.23 0.03 -0.78 2.17 2.02 -2.00 -1.95 112.91 112.17 3hx5 h THR 93 Ca -0.43 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.88 3hx5 h THR 93 Cb 1.30 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 3hx5 h THR 93 CO 0.55 0.00 0.51 -0.65 0.37 0.00 0.00 175.52 176.30 3hx5 h PRO 94 N -0.56 0.54 0.40 6.66 0.11 -1.95 -0.83 132.00 136.37 3hx5 h PRO 94 Ca 0.04 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3hx5 h PRO 94 Cb 0.67 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3hx5 h PRO 94 CO -0.43 0.36 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.08 3hx5 h ASP 95 N 0.56 -0.45 -0.58 -2.05 3.45 -1.65 -1.26 116.42 114.43 3hx5 h ASP 95 Ca 0.37 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.83 3hx5 h ASP 95 Cb 0.67 0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.53 3hx5 h ASP 95 CO -0.14 -0.30 0.36 0.00 -1.57 0.00 0.00 179.24 177.59 3hx5 h ALA 96 N 0.03 1.51 -0.49 3.45 0.00 -0.67 -1.73 119.26 121.36 3hx5 h ALA 96 Ca -0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3hx5 h ALA 96 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hx5 h ALA 96 CO 0.09 0.42 -0.18 1.98 0.00 0.00 0.00 179.25 181.56 3hx5 h MET 97 N 0.81 0.98 -0.18 0.00 -1.53 -0.96 -1.74 114.93 112.32 3hx5 h MET 97 Ca 0.21 -0.40 -0.10 0.00 -3.44 0.00 0.00 59.70 55.98 3hx5 h MET 97 Cb -0.03 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 3hx5 h MET 97 CO -0.04 1.07 -0.31 0.87 0.14 0.00 0.00 176.91 178.64 3hx5 h LYS 98 N 0.85 0.35 -0.16 0.39 1.57 -0.74 -1.54 116.57 117.29 3hx5 h LYS 98 Ca 0.12 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3hx5 h LYS 98 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3hx5 h LYS 98 CO 0.06 0.63 0.03 0.00 -0.57 0.00 0.00 179.45 179.60 3hx5 h ALA 99 N 1.37 0.21 -0.01 3.86 0.00 -1.02 -1.89 119.26 121.78 3hx5 h ALA 99 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hx5 h ALA 99 Cb 0.70 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hx5 h ALA 99 CO 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3hx5 h ALA 100 N 0.82 0.01 -0.63 0.00 0.00 -1.15 -1.55 119.26 116.76 3hx5 h ALA 100 Ca 0.05 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3hx5 h ALA 100 Cb 0.29 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3hx5 h ALA 100 CO 0.00 -0.44 0.15 1.98 0.00 0.00 0.00 179.25 180.94 3hx5 h MET 101 N -0.08 0.27 -0.20 0.00 -1.53 -1.25 0.13 114.93 112.27 3hx5 h MET 101 Ca 0.00 -0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.27 3hx5 h MET 101 Cb 0.09 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 3hx5 h MET 101 CO -0.00 0.18 0.06 0.00 0.14 0.00 0.00 176.91 177.29 3hx5 h ALA 102 N 1.50 0.22 -0.38 0.39 0.00 -1.06 0.56 119.26 120.48 3hx5 h ALA 102 Ca 0.33 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3hx5 h ALA 102 Cb 0.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hx5 h ALA 102 CO -0.41 -0.37 0.14 1.25 0.00 0.00 0.00 179.25 179.86 3hx5 h LEU 103 N 0.15 0.49 -0.09 0.00 5.85 -0.11 -0.14 115.31 121.46 3hx5 h LEU 103 Ca 0.09 -0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 3hx5 h LEU 103 Cb 0.06 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.98 3hx5 h LEU 103 CO -0.10 0.46 -0.88 -0.33 -0.34 0.00 0.00 178.44 177.26 3hx5 h GLU 104 N 0.54 0.74 -0.75 1.25 4.39 -0.29 -1.10 114.58 119.35 3hx5 h GLU 104 Ca 0.13 -0.69 -0.03 0.00 0.34 0.00 0.00 59.36 59.11 3hx5 h GLU 104 Cb 0.14 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3hx5 h GLU 104 CO -0.01 1.28 0.34 0.87 -1.16 0.00 0.00 179.01 180.33 3hx5 h LYS 105 N 0.45 1.08 0.16 2.33 1.57 -0.48 0.46 116.57 122.15 3hx5 h LYS 105 Ca -0.09 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3hx5 h LYS 105 Cb 1.52 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3hx5 h LYS 105 CO 0.18 0.85 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.61 3hx5 h LYS 106 N 1.07 -0.21 -0.71 3.15 3.64 -0.95 -1.40 116.57 121.16 3hx5 h LYS 106 Ca 0.26 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3hx5 h LYS 106 Cb 0.14 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3hx5 h LYS 106 CO -0.03 -0.10 0.36 -0.07 -2.27 0.00 0.00 179.45 177.35 3hx5 h LEU 107 N -0.27 0.90 -0.92 5.20 3.38 -0.63 -1.65 115.31 121.31 3hx5 h LEU 107 Ca -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hx5 h LEU 107 Cb 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3hx5 h LEU 107 CO 0.04 0.75 0.39 -1.13 0.09 0.00 0.00 178.44 178.57 3hx5 h ASN 108 N 1.00 1.06 -0.29 -0.43 -1.24 0.34 -1.81 115.58 114.21 3hx5 h ASN 108 Ca 0.25 -0.13 -0.10 0.00 0.71 0.00 0.00 56.30 57.03 3hx5 h ASN 108 Cb 0.07 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 3hx5 h ASN 108 CO -0.04 0.89 -0.21 -0.61 -1.29 0.00 0.00 177.43 176.18 3hx5 h GLN 109 N 1.15 0.66 -0.64 6.67 5.75 -0.75 -0.67 115.11 127.28 3hx5 h GLN 109 Ca 0.28 -0.32 0.12 0.00 -0.15 0.00 0.00 58.65 58.59 3hx5 h GLN 109 Cb 0.12 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 3hx5 h GLN 109 CO -0.03 0.92 0.43 0.00 -2.65 0.00 0.00 178.83 177.49 3hx5 h ALA 110 N 0.73 2.13 0.11 3.38 0.00 -0.93 0.15 119.26 124.83 3hx5 h ALA 110 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hx5 h ALA 110 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hx5 h ALA 110 CO 0.06 -0.29 -0.05 -0.07 0.00 0.00 0.00 179.25 178.89 3hx5 h LEU 111 N 0.34 -0.12 -1.65 0.00 3.38 -1.07 -2.40 115.31 113.79 3hx5 h LEU 111 Ca 0.30 -0.43 0.24 0.00 0.09 0.00 0.00 57.88 58.08 3hx5 h LEU 111 Cb 0.73 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 3hx5 h LEU 111 CO -0.08 0.50 0.65 -0.07 0.09 0.00 0.00 178.44 179.53 3hx5 h LEU 112 N -0.89 0.28 -0.12 1.67 3.38 -0.25 0.24 115.31 119.61 3hx5 h LEU 112 Ca -0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3hx5 h LEU 112 Cb 0.55 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hx5 h LEU 112 CO 0.02 0.09 -0.20 0.44 0.09 0.00 0.00 178.44 178.89 3hx5 h ASP 113 N 0.26 0.38 -0.10 -0.43 3.45 -0.76 -0.98 116.42 118.25 3hx5 h ASP 113 Ca 0.49 -0.53 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 3hx5 h ASP 113 Cb 1.47 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 40.12 3hx5 h ASP 113 CO -0.14 0.84 -0.03 0.25 -1.57 0.00 0.00 179.24 178.59 3hx5 h LEU 114 N -0.07 0.31 -0.37 1.55 5.85 -0.23 0.90 115.31 123.26 3hx5 h LEU 114 Ca 0.01 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 3hx5 h LEU 114 Cb 0.76 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3hx5 h LEU 114 CO 0.04 0.39 -0.34 -0.74 -0.34 0.00 0.00 178.44 177.45 3hx5 h HIS 115 N 0.32 1.06 -0.51 1.25 2.76 -0.55 -1.26 115.15 118.22 3hx5 h HIS 115 Ca 0.07 -0.31 -0.06 0.00 -2.20 0.00 0.00 60.37 57.87 3hx5 h HIS 115 Cb 0.27 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 3hx5 h HIS 115 CO 0.01 1.12 0.08 0.00 -1.30 0.00 0.00 177.93 177.84 3hx5 h ALA 116 N 0.76 0.67 -0.24 5.26 0.00 -0.30 -1.19 119.26 124.23 3hx5 h ALA 116 Ca 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hx5 h ALA 116 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hx5 h ALA 116 CO 0.09 0.41 -0.06 1.25 0.00 0.00 0.00 179.25 180.93 3hx5 h LEU 117 N 0.72 0.35 -0.42 0.00 5.85 -0.77 -1.94 115.31 119.10 3hx5 h LEU 117 Ca 0.15 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 3hx5 h LEU 117 Cb 0.40 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3hx5 h LEU 117 CO 0.01 0.46 -0.53 1.23 -0.34 0.00 0.00 178.44 179.27 3hx5 h GLY 118 N 0.77 0.81 0.95 3.75 0.00 -0.81 -2.44 103.07 106.10 3hx5 h GLY 118 Ca 0.08 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 3hx5 h GLY 118 CO 0.02 0.83 0.17 1.76 0.00 0.00 0.00 176.54 179.32 3hx5 h SER 119 N 0.57 0.58 -0.25 0.19 0.02 -0.68 -0.98 113.55 113.01 3hx5 h SER 119 Ca 0.02 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3hx5 h SER 119 Cb 1.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3hx5 h SER 119 CO 0.11 0.59 0.15 0.00 -1.14 0.00 0.00 176.83 176.54 3hx5 h ALA 120 N 1.02 0.31 -0.17 3.77 0.00 -1.34 -2.22 119.26 120.62 3hx5 h ALA 120 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hx5 h ALA 120 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hx5 h ALA 120 CO -0.01 -0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.59 3hx5 n ARG 121 N -4.89 1.75 -3.86 0.00 5.12 -0.92 -4.93 116.66 108.93 3hx5 n ARG 121 Ca -0.03 -0.77 -0.32 0.00 -1.93 0.00 0.00 57.85 54.80 3hx5 n ARG 121 Cb 0.05 -1.44 0.01 0.00 -1.16 0.00 0.00 32.46 29.92 3hx5 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx5 n THR 122 N 0.12 -2.45 -3.85 0.55 -2.24 -0.76 -4.93 114.28 100.73 3hx5 n THR 122 Ca 0.07 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 3hx5 n THR 122 Cb 0.34 -2.13 -0.11 0.00 -2.10 0.00 0.00 70.33 66.33 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx5 s ASP 123 N -3.35 4.96 0.52 3.42 -1.08 -0.45 -4.96 116.67 115.73 3hx5 s ASP 123 Ca 0.24 -3.55 0.17 0.00 -0.52 0.00 0.00 52.55 48.89 3hx5 s ASP 123 Cb -0.13 -1.71 1.29 0.00 -1.46 0.00 0.00 42.92 40.90 3hx5 s ASP 123 CO 0.81 -0.16 2.15 1.55 0.52 0.00 0.00 175.17 180.03 3hx5 h PRO 124 N 5.91 0.00 -0.17 4.34 0.13 -1.92 -2.83 132.00 137.47 3hx5 h PRO 124 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3hx5 h PRO 124 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 3hx5 h PRO 124 CO 0.74 0.00 0.05 1.25 -0.23 0.00 0.00 178.00 179.81 3hx5 h HIS 125 N 0.00 0.27 0.00 1.56 -0.00 -1.97 -1.56 115.15 113.44 3hx5 h HIS 125 Ca 0.01 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 3hx5 h HIS 125 Cb 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3hx5 h HIS 125 CO 0.00 0.37 -0.25 1.25 -0.00 0.00 0.00 177.93 179.30 3hx5 h LEU 126 N 0.09 0.00 -0.30 0.26 5.85 -1.92 -0.27 115.31 119.02 3hx5 h LEU 126 Ca 0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 3hx5 h LEU 126 Cb 0.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3hx5 h LEU 126 CO -0.00 0.25 -0.48 0.00 -0.34 0.00 0.00 178.44 177.87 3hx5 h ASP 128 N 0.63 0.53 -0.83 0.00 3.58 -1.00 -1.53 116.42 117.79 3hx5 h ASP 128 Ca 0.03 -0.52 0.19 0.00 0.42 0.00 0.00 57.03 57.15 3hx5 h ASP 128 Cb 1.08 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.92 3hx5 h ASP 128 CO 0.11 0.95 0.56 0.15 -2.88 0.00 0.00 179.24 178.13 3hx5 h PHE 129 N 0.13 0.41 0.07 0.28 3.04 -1.05 0.16 116.94 119.98 3hx5 h PHE 129 Ca 0.02 0.01 -0.31 0.00 3.98 0.00 0.00 57.97 61.67 3hx5 h PHE 129 Cb 0.83 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 3hx5 h PHE 129 CO 0.09 0.12 -1.69 -0.07 -2.02 0.00 0.00 178.31 174.75 3hx5 h LEU 130 N 0.32 0.24 -1.04 0.59 3.38 -1.41 -3.11 115.31 114.28 3hx5 h LEU 130 Ca 0.42 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hx5 h LEU 130 Cb 1.15 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3hx5 h LEU 130 CO -0.12 1.38 0.39 -0.33 0.09 0.00 0.00 178.44 179.84 3hx5 h GLU 131 N 0.04 1.06 0.01 1.13 5.08 -0.12 0.80 114.58 122.59 3hx5 h GLU 131 Ca -0.29 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3hx5 h GLU 131 Cb 2.01 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3hx5 h GLU 131 CO 0.11 0.80 -0.01 1.15 -1.00 0.00 0.00 179.01 180.07 3hx5 h THR 132 N 1.06 0.00 -0.49 1.13 2.02 -0.88 -3.38 112.91 112.38 3hx5 h THR 132 Ca 0.26 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3hx5 h THR 132 Cb 0.07 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3hx5 h THR 132 CO -0.04 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.26 3hx5 n HIS 133 N -3.58 0.65 0.11 3.16 8.25 -1.17 -4.70 115.22 117.93 3hx5 n HIS 133 Ca -0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3hx5 n HIS 133 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3hx5 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx5 n PHE 134 N 0.93 -1.83 -0.13 4.41 3.72 -0.97 -4.82 117.46 118.78 3hx5 n PHE 134 Ca 0.16 0.32 -0.05 0.00 -0.05 0.00 0.00 57.45 57.83 3hx5 n PHE 134 Cb 0.41 0.53 0.01 0.00 -0.94 0.00 0.00 39.48 39.49 3hx5 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx5 h LEU 135 N 0.00 -0.77 -0.54 4.37 3.38 -1.03 -1.36 115.31 119.35 3hx5 h LEU 135 Ca 0.00 0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3hx5 h LEU 135 Cb 0.02 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3hx5 h LEU 135 CO 0.00 -0.25 -0.73 -0.78 0.09 0.00 0.00 178.44 176.77 3hx5 h ASP 136 N -0.14 0.01 0.11 -0.43 -0.00 -1.83 -2.74 116.42 111.40 3hx5 h ASP 136 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 3hx5 h ASP 136 Cb 0.46 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.78 3hx5 h ASP 136 CO -0.52 0.73 -0.09 -0.33 -0.00 0.00 0.00 179.24 179.03 3hx5 h GLU 137 N 0.01 -0.21 -0.62 0.28 4.39 -1.74 -2.12 114.58 114.57 3hx5 h GLU 137 Ca -0.01 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3hx5 h GLU 137 Cb 1.29 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 3hx5 h GLU 137 CO 0.10 -0.14 0.30 0.93 -1.16 0.00 0.00 179.01 179.03 3hx5 h GLU 138 N -0.22 0.90 -0.69 2.33 4.39 -1.27 -1.56 114.58 118.46 3hx5 h GLU 138 Ca -0.00 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 3hx5 h GLU 138 Cb 0.20 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3hx5 h GLU 138 CO -0.01 0.72 0.35 0.28 -1.16 0.00 0.00 179.01 179.19 3hx5 h VAL 139 N 0.86 1.22 -0.56 3.13 2.07 -1.39 -1.21 116.25 120.38 3hx5 h VAL 139 Ca 0.21 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3hx5 h VAL 139 Cb 0.12 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3hx5 h VAL 139 CO -0.03 0.25 0.00 0.11 0.02 0.00 0.00 177.57 177.93 3hx5 h LYS 140 N 0.96 0.96 -0.67 1.57 1.57 -1.16 -1.50 116.57 118.31 3hx5 h LYS 140 Ca 0.24 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3hx5 h LYS 140 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3hx5 h LYS 140 CO -0.03 0.95 0.11 1.25 -0.57 0.00 0.00 179.45 181.15 3hx5 h LEU 141 N 0.89 1.05 -0.15 2.94 5.85 -0.91 -0.71 115.31 124.26 3hx5 h LEU 141 Ca 0.16 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3hx5 h LEU 141 Cb 0.51 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3hx5 h LEU 141 CO 0.03 1.03 -0.06 0.40 -0.34 0.00 0.00 178.44 179.50 3hx5 h ILE 142 N 1.03 1.31 -0.83 4.05 2.04 -1.04 -0.85 117.51 123.21 3hx5 h ILE 142 Ca 0.20 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.06 3hx5 h ILE 142 Cb 0.43 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 3hx5 h ILE 142 CO 0.01 0.32 0.54 0.50 0.00 0.00 0.00 178.15 179.52 3hx5 h LYS 143 N -0.01 0.82 0.09 2.37 1.63 -1.15 0.18 116.57 120.50 3hx5 h LYS 143 Ca 0.04 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3hx5 h LYS 143 Cb 0.53 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3hx5 h LYS 143 CO 0.02 0.54 -0.04 -0.22 -3.45 0.00 0.00 179.45 176.30 3hx5 h LYS 144 N 0.85 -0.11 0.00 1.90 3.64 -0.81 -2.20 116.57 119.83 3hx5 h LYS 144 Ca 0.37 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 3hx5 h LYS 144 Cb 0.34 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3hx5 h LYS 144 CO -0.14 0.16 -0.23 0.52 -2.27 0.00 0.00 179.45 177.48 3hx5 h MET 145 N -0.38 0.00 -0.03 1.90 2.86 -0.46 -1.99 114.93 116.83 3hx5 h MET 145 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 3hx5 h MET 145 Cb 0.32 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3hx5 h MET 145 CO 0.02 0.23 -0.58 0.78 1.06 0.00 0.00 176.91 178.42 3hx5 h GLY 146 N 1.20 0.11 1.27 8.32 0.00 -0.48 -2.14 103.07 111.34 3hx5 h GLY 146 Ca -0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 3hx5 h GLY 146 CO 0.03 0.11 -0.65 -0.55 0.00 0.00 0.00 176.54 175.48 3hx5 h ASP 147 N 0.07 0.86 -0.69 0.19 3.32 -0.74 -2.83 116.42 116.60 3hx5 h ASP 147 Ca -0.00 -0.51 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 3hx5 h ASP 147 Cb 1.04 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 3hx5 h ASP 147 CO 0.08 1.29 0.20 0.45 -1.72 0.00 0.00 179.24 179.54 3hx5 h HIS 148 N 0.54 1.13 0.03 4.55 3.86 -1.23 -2.34 115.15 121.70 3hx5 h HIS 148 Ca -0.02 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3hx5 h HIS 148 Cb 1.26 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.40 3hx5 h HIS 148 CO 0.07 0.91 -0.02 -0.07 0.86 0.00 0.00 177.93 179.69 3hx5 h LEU 149 N 1.03 -0.04 -1.59 2.43 3.38 -1.38 0.46 115.31 119.59 3hx5 h LEU 149 Ca 0.22 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3hx5 h LEU 149 Cb 0.33 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hx5 h LEU 149 CO -0.00 0.08 0.33 0.74 0.09 0.00 0.00 178.44 179.67 3hx5 h THR 150 N -0.16 1.04 0.10 0.22 2.02 -1.42 -1.23 112.91 113.48 3hx5 h THR 150 Ca -0.00 -0.18 -0.26 0.00 0.77 0.00 0.00 66.41 66.73 3hx5 h THR 150 Cb 0.14 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3hx5 h THR 150 CO 0.01 0.10 -1.20 0.78 0.37 0.00 0.00 175.52 175.57 3hx5 h ASN 151 N 0.53 0.32 -0.39 4.18 2.35 -1.12 -2.60 115.58 118.84 3hx5 h ASN 151 Ca 0.20 -0.34 -0.15 0.00 -0.55 0.00 0.00 56.30 55.45 3hx5 h ASN 151 Cb 0.14 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3hx5 h ASN 151 CO -0.05 1.27 -0.35 -0.07 -1.65 0.00 0.00 177.43 176.58 3hx5 h LEU 152 N 0.06 0.99 -1.35 1.61 3.38 -0.46 -2.09 115.31 117.45 3hx5 h LEU 152 Ca -0.11 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 3hx5 h LEU 152 Cb 1.93 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3hx5 h LEU 152 CO 0.18 1.23 -0.28 -0.74 0.09 0.00 0.00 178.44 178.93 3hx5 h HIS 153 N 0.78 0.00 -0.12 1.13 2.76 -1.33 -2.78 115.15 115.59 3hx5 h HIS 153 Ca 0.07 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 3hx5 h HIS 153 Cb 0.94 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 3hx5 h HIS 153 CO 0.06 0.28 -0.50 -0.09 -1.30 0.00 0.00 177.93 176.37 3hx5 h ARG 154 N 0.00 0.31 -2.95 5.26 2.43 -0.99 -3.33 114.38 115.11 3hx5 h ARG 154 Ca -0.00 -0.18 -0.71 0.00 -0.81 0.00 0.00 59.98 58.28 3hx5 h ARG 154 Cb 0.64 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 3hx5 h ARG 154 CO 0.04 0.74 3.12 1.28 -1.51 0.00 0.00 179.97 183.63 3hx5 n LEU 155 N -3.96 8.22 0.00 3.80 4.77 -0.84 -5.08 117.00 123.91 3hx5 n LEU 155 Ca -0.02 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.38 3hx5 n LEU 155 Cb 0.55 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 3hx5 n LEU 155 CO 0.44 1.96 0.23 0.61 -1.33 0.00 0.00 177.39 179.30