#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 n SER 2 N 0.00 1.93 -4.26 6.12 2.88 -1.26 -5.16 113.62 113.88 3hx5 n SER 2 Ca 0.00 -0.66 -0.30 0.00 -1.33 0.00 0.00 58.87 56.58 3hx5 n SER 2 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 3hx5 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3hx5 s SER 3 N -0.32 2.83 0.06 -3.46 0.15 -1.26 -5.02 113.70 106.67 3hx5 s SER 3 Ca 0.00 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.23 3hx5 s SER 3 Cb 0.00 -0.55 0.18 0.00 -1.71 0.00 0.00 66.02 63.95 3hx5 s SER 3 CO 0.00 0.26 1.01 0.00 1.20 0.00 0.00 173.24 175.70 3hx5 n GLN 4 N 2.74 0.02 -0.00 5.44 10.64 -1.26 -1.48 117.38 133.48 3hx5 n GLN 4 Ca -0.17 0.43 0.01 0.00 -1.83 0.00 0.00 57.00 55.45 3hx5 n GLN 4 Cb 0.52 -1.69 -0.03 0.00 -0.86 0.00 0.00 30.24 28.18 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 -1.54 0.03 -1.63 -0.39 -5.35 -1.26 -5.04 119.36 104.18 3hx5 n ILE 5 Ca -0.00 -0.10 -0.50 0.00 -0.27 0.00 0.00 62.75 61.88 3hx5 n ILE 5 Cb 0.12 0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.20 3hx5 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx5 n ARG 6 N -1.70 1.51 -3.44 6.28 0.63 -0.55 -4.90 116.66 114.49 3hx5 n ARG 6 Ca -0.01 0.54 -0.01 0.00 -0.92 0.00 0.00 57.85 57.45 3hx5 n ARG 6 Cb 0.17 -2.24 -0.04 0.00 0.45 0.00 0.00 32.46 30.80 3hx5 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx5 s GLN 7 N 1.00 0.52 -0.78 -0.14 0.74 -1.26 -4.91 119.66 114.83 3hx5 s GLN 7 Ca 0.84 1.14 0.00 0.00 0.05 0.00 0.00 55.36 57.39 3hx5 s GLN 7 Cb -0.87 0.54 0.00 0.00 1.10 0.00 0.00 33.01 33.79 3hx5 s GLN 7 CO 0.46 -0.40 0.00 -1.71 -0.55 0.00 0.00 175.29 173.08 3hx5 n ASN 8 N 5.43 -4.24 -4.24 6.67 5.15 -1.26 -4.98 115.26 117.79 3hx5 n ASN 8 Ca -0.07 0.18 -0.43 0.00 -0.60 0.00 0.00 54.58 53.67 3hx5 n ASN 8 Cb 0.50 -2.39 -0.06 0.00 -0.53 0.00 0.00 39.78 37.30 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 -2.15 3.55 0.47 1.20 5.04 -1.26 -4.82 117.35 119.37 3hx5 s TYR 9 Ca 0.00 -2.10 -0.25 0.00 -2.44 0.00 0.00 57.07 52.29 3hx5 s TYR 9 Cb 0.00 -3.58 -0.08 0.00 0.35 0.00 0.00 41.96 38.65 3hx5 s TYR 9 CO 0.00 -0.95 1.43 -1.54 -1.34 0.00 0.00 175.55 173.14 3hx5 s SER 10 N 2.01 5.76 0.34 4.32 1.04 -1.26 -4.87 113.70 121.03 3hx5 s SER 10 Ca 0.14 2.92 0.25 0.00 0.48 0.00 0.00 55.95 59.73 3hx5 s SER 10 Cb -0.18 -2.65 1.22 0.00 0.10 0.00 0.00 66.02 64.50 3hx5 s SER 10 CO -0.05 -1.26 1.75 0.71 0.98 0.00 0.00 173.24 175.38 3hx5 h THR 11 N 2.17 0.00 -0.07 2.02 1.35 -1.99 -1.72 112.91 114.66 3hx5 h THR 11 Ca -0.51 -0.10 -0.21 0.00 -0.55 0.00 0.00 66.41 65.04 3hx5 h THR 11 Cb 1.27 0.73 0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3hx5 h THR 11 CO 0.60 0.00 -0.76 0.44 -0.25 0.00 0.00 175.52 175.55 3hx5 h ASP 12 N 0.00 0.80 -0.34 5.36 3.45 -2.00 -2.62 116.42 121.07 3hx5 h ASP 12 Ca 0.00 -0.68 -0.06 0.00 0.43 0.00 0.00 57.03 56.72 3hx5 h ASP 12 Cb 0.14 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 3hx5 h ASP 12 CO 0.00 1.37 -0.01 0.58 -1.57 0.00 0.00 179.24 179.61 3hx5 h VAL 13 N 0.30 1.26 -0.19 -1.35 2.07 -1.69 -2.33 116.25 114.32 3hx5 h VAL 13 Ca -0.07 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3hx5 h VAL 13 Cb 1.42 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 3hx5 h VAL 13 CO 0.15 0.32 -0.48 -0.08 0.02 0.00 0.00 177.57 177.51 3hx5 h GLU 14 N 0.42 -0.44 0.00 1.57 4.81 -1.45 0.82 114.58 120.30 3hx5 h GLU 14 Ca 0.10 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3hx5 h GLU 14 Cb 0.46 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hx5 h GLU 14 CO 0.02 -0.29 -0.12 0.00 -0.73 0.00 0.00 179.01 177.88 3hx5 h ALA 15 N -0.38 1.16 -0.24 2.92 0.00 -1.51 -2.35 119.26 118.86 3hx5 h ALA 15 Ca 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3hx5 h ALA 15 Cb 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hx5 h ALA 15 CO -0.42 0.15 -0.36 0.00 0.00 0.00 0.00 179.25 178.62 3hx5 h ALA 16 N 1.88 0.36 -0.44 0.00 0.00 -0.53 -2.47 119.26 118.06 3hx5 h ALA 16 Ca -0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3hx5 h ALA 16 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hx5 h ALA 16 CO 0.02 0.43 -0.07 0.28 0.00 0.00 0.00 179.25 179.90 3hx5 h VAL 17 N 0.37 1.25 0.00 0.00 2.07 -0.63 -1.15 116.25 118.16 3hx5 h VAL 17 Ca 0.02 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3hx5 h VAL 17 Cb 0.94 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3hx5 h VAL 17 CO 0.08 0.38 -0.28 0.78 0.02 0.00 0.00 177.57 178.55 3hx5 h ASN 18 N 0.71 0.00 0.96 0.57 2.35 -1.34 0.80 115.58 119.62 3hx5 h ASN 18 Ca 0.13 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 3hx5 h ASN 18 Cb 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 3hx5 h ASN 18 CO 0.03 0.28 -1.12 -1.28 -1.65 0.00 0.00 177.43 173.70 3hx5 h SER 19 N 0.00 0.00 -0.15 5.81 0.87 -1.10 -2.92 113.55 116.06 3hx5 h SER 19 Ca -0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.34 3hx5 h SER 19 Cb 0.54 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3hx5 h SER 19 CO 0.04 0.59 -0.75 0.25 -0.53 0.00 0.00 176.83 176.43 3hx5 h LEU 20 N 0.00 0.91 -0.98 2.23 5.85 -0.72 -1.71 115.31 120.89 3hx5 h LEU 20 Ca -0.11 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.00 3hx5 h LEU 20 Cb 1.55 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 3hx5 h LEU 20 CO 0.06 1.40 0.65 0.58 -0.34 0.00 0.00 178.44 180.78 3hx5 h VAL 21 N 0.49 1.23 0.00 1.05 2.07 -0.91 0.15 116.25 120.33 3hx5 h VAL 21 Ca -0.05 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3hx5 h VAL 21 Cb 1.38 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hx5 h VAL 21 CO 0.15 0.24 -0.23 -1.13 0.02 0.00 0.00 177.57 176.62 3hx5 h ASN 22 N 1.31 0.00 -0.11 0.57 -0.73 -1.39 -0.95 115.58 114.28 3hx5 h ASN 22 Ca 0.37 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.34 3hx5 h ASN 22 Cb -0.11 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.49 3hx5 h ASN 22 CO -0.09 0.23 -0.70 0.25 -0.37 0.00 0.00 177.43 176.75 3hx5 h LEU 23 N 0.00 0.80 -0.73 0.34 5.85 0.12 -2.62 115.31 119.06 3hx5 h LEU 23 Ca -0.00 -0.65 -0.12 0.00 0.84 0.00 0.00 57.88 57.95 3hx5 h LEU 23 Cb 0.74 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hx5 h LEU 23 CO 0.03 1.33 -0.28 1.88 -0.34 0.00 0.00 178.44 181.06 3hx5 h TYR 24 N 0.33 0.76 -0.35 1.25 -1.99 -0.45 -0.64 116.97 115.87 3hx5 h TYR 24 Ca -0.06 -0.18 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 3hx5 h TYR 24 Cb 1.34 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.87 3hx5 h TYR 24 CO 0.10 0.87 0.08 -0.07 -0.00 0.00 0.00 178.16 179.15 3hx5 h LEU 25 N 0.57 0.46 -0.44 3.88 3.38 -1.18 0.73 115.31 122.72 3hx5 h LEU 25 Ca 0.07 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3hx5 h LEU 25 Cb 0.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hx5 h LEU 25 CO 0.06 0.47 -0.74 -0.61 0.09 0.00 0.00 178.44 177.71 3hx5 h GLN 26 N 0.50 0.29 -0.01 1.13 4.15 -1.03 -1.61 115.11 118.53 3hx5 h GLN 26 Ca 0.12 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3hx5 h GLN 26 Cb 0.19 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 3hx5 h GLN 26 CO -0.00 0.90 -0.01 0.00 -1.93 0.00 0.00 178.83 177.79 3hx5 h ALA 27 N 1.03 0.01 -0.14 3.38 0.00 -0.30 -2.26 119.26 120.98 3hx5 h ALA 27 Ca -0.03 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.70 3hx5 h ALA 27 Cb 1.31 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3hx5 h ALA 27 CO 0.12 -0.25 -0.22 1.03 0.00 0.00 0.00 179.25 179.92 3hx5 h SER 28 N -0.43 -0.69 -0.93 0.00 0.87 -0.87 -0.40 113.55 111.10 3hx5 h SER 28 Ca 0.00 0.12 0.12 0.00 -1.23 0.00 0.00 61.79 60.80 3hx5 h SER 28 Cb 0.47 0.31 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 3hx5 h SER 28 CO 0.00 -0.27 0.56 0.22 -0.53 0.00 0.00 176.83 176.80 3hx5 h TYR 29 N -0.28 1.00 -0.38 2.24 3.20 -1.30 -1.41 116.97 120.03 3hx5 h TYR 29 Ca 0.10 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 3hx5 h TYR 29 Cb 0.43 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3hx5 h TYR 29 CO -0.33 0.37 -0.00 1.15 -1.64 0.00 0.00 178.16 177.71 3hx5 h THR 30 N 0.87 1.26 0.00 1.81 2.02 -0.60 -2.61 112.91 115.66 3hx5 h THR 30 Ca 0.47 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 3hx5 h THR 30 Cb 0.49 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3hx5 h THR 30 CO -0.28 0.34 -0.14 1.88 0.37 0.00 0.00 175.52 177.69 3hx5 h TYR 31 N 0.50 0.00 -0.13 3.16 0.05 -0.24 -1.76 116.97 118.56 3hx5 h TYR 31 Ca 0.11 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 3hx5 h TYR 31 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3hx5 h TYR 31 CO 0.04 0.14 -0.34 1.25 -1.05 0.00 0.00 178.16 178.19 3hx5 h LEU 32 N 0.00 0.52 -1.04 3.88 5.85 -1.05 -1.38 115.31 122.09 3hx5 h LEU 32 Ca -0.00 -0.59 0.02 0.00 0.84 0.00 0.00 57.88 58.15 3hx5 h LEU 32 Cb 0.35 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3hx5 h LEU 32 CO 0.02 1.02 0.65 -1.28 -0.34 0.00 0.00 178.44 178.50 3hx5 h SER 33 N 0.05 1.10 0.28 1.25 0.87 -1.01 -1.78 113.55 114.30 3hx5 h SER 33 Ca -0.01 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3hx5 h SER 33 Cb 0.96 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3hx5 h SER 33 CO 0.07 0.77 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.95 3hx5 h LEU 34 N 1.29 -0.31 -0.76 2.23 3.38 -1.32 -2.54 115.31 117.27 3hx5 h LEU 34 Ca 0.38 -0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.38 3hx5 h LEU 34 Cb -0.08 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 3hx5 h LEU 34 CO -0.10 -0.04 0.24 1.23 0.09 0.00 0.00 178.44 179.85 3hx5 h GLY 35 N -0.59 1.11 1.77 0.83 0.00 -0.73 -1.01 103.07 104.46 3hx5 h GLY 35 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3hx5 h GLY 35 CO 0.06 -0.18 -0.06 0.69 0.00 0.00 0.00 176.54 177.05 3hx5 n PHE 36 N -5.10 0.00 0.10 5.60 3.01 -0.72 -3.27 117.46 117.08 3hx5 n PHE 36 Ca 0.15 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.42 3hx5 n PHE 36 Cb 0.47 -0.42 -0.15 0.00 -0.01 0.00 0.00 39.48 39.37 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 0.03 0.65 -0.04 1.38 3.20 -0.75 -3.22 116.97 118.22 3hx5 h TYR 37 Ca 0.00 -0.47 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3hx5 h TYR 37 Cb 0.46 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3hx5 h TYR 37 CO 0.00 1.44 0.00 1.19 -1.64 0.00 0.00 178.16 179.15 3hx5 n PHE 38 N -3.57 0.06 0.28 -3.82 3.72 -1.02 -2.33 117.46 110.78 3hx5 n PHE 38 Ca -0.15 -0.03 0.03 0.00 -0.05 0.00 0.00 57.45 57.25 3hx5 n PHE 38 Cb 1.06 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.57 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 -0.31 0.82 -4.75 4.37 -0.08 -1.22 -1.81 116.55 113.57 3hx5 n ASP 39 Ca 0.01 -0.91 -0.39 0.00 -1.51 0.00 0.00 54.79 51.99 3hx5 n ASP 39 Cb 0.08 0.58 0.03 0.00 2.34 0.00 0.00 41.12 44.16 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 -0.51 1.94 0.30 -0.67 1.74 -0.99 -4.70 116.66 113.77 3hx5 n ARG 40 Ca 0.02 0.70 0.16 0.00 -0.77 0.00 0.00 57.85 57.97 3hx5 n ARG 40 Cb 0.12 -2.61 0.92 0.00 -1.02 0.00 0.00 32.46 29.87 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 1.79 0.00 -0.69 0.55 2.03 -1.95 0.18 116.42 118.33 3hx5 h ASP 41 Ca -0.51 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.61 3hx5 h ASP 41 Cb 1.29 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.68 3hx5 h ASP 41 CO 0.59 0.04 0.23 -0.90 -1.03 0.00 0.00 179.24 178.17 3hx5 n ASP 42 N -3.58 4.81 0.00 4.15 3.85 -1.26 -4.32 116.55 120.20 3hx5 n ASP 42 Ca -0.02 -3.12 0.00 0.00 -0.71 0.00 0.00 54.79 50.94 3hx5 n ASP 42 Cb 0.14 -0.73 0.00 0.00 -1.35 0.00 0.00 41.12 39.17 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 -0.03 0.00 -3.45 2.12 0.31 -0.77 -5.11 118.33 111.40 3hx5 n VAL 43 Ca 0.38 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.47 3hx5 n VAL 43 Cb 1.32 -0.46 0.01 0.00 -0.91 0.00 0.00 33.84 33.80 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 -2.39 -2.39 -3.24 3.52 0.00 0.55 -4.94 120.51 111.62 3hx5 n ALA 44 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 3hx5 n ALA 44 Cb 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.72 1.12 -0.43 0.00 4.77 -0.75 -4.98 117.00 115.02 3hx5 n LEU 45 Ca -0.22 -4.91 0.35 0.00 -0.03 0.00 0.00 56.01 51.21 3hx5 n LEU 45 Cb 0.58 0.33 0.66 0.00 -2.33 0.00 0.00 43.42 42.65 3hx5 n LEU 45 CO 0.51 2.09 1.29 -0.08 -1.33 0.00 0.00 177.39 179.87 3hx5 h GLU 46 N 3.94 0.13 -0.27 3.23 4.81 -1.93 0.27 114.58 124.76 3hx5 h GLU 46 Ca 0.10 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 3hx5 h GLU 46 Cb 0.83 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3hx5 h GLU 46 CO 0.56 0.08 -0.43 0.78 -0.73 0.00 0.00 179.01 179.26 3hx5 h GLY 47 N 0.13 0.75 1.05 1.92 0.00 -1.93 -0.36 103.07 104.63 3hx5 h GLY 47 Ca 0.73 -0.78 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 3hx5 h GLY 47 CO -0.24 0.70 -0.74 -2.08 0.00 0.00 0.00 176.54 174.18 3hx5 h VAL 48 N 0.55 1.32 -0.39 4.60 2.07 -1.36 -2.82 116.25 120.22 3hx5 h VAL 48 Ca 0.04 -2.00 0.02 0.00 0.82 0.00 0.00 66.70 65.58 3hx5 h VAL 48 Cb 0.98 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 3hx5 h VAL 48 CO 0.09 0.62 0.21 -1.28 0.02 0.00 0.00 177.57 177.22 3hx5 h SER 49 N 0.32 0.32 -0.08 0.57 0.87 -1.11 -1.77 113.55 112.67 3hx5 h SER 49 Ca -0.07 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 3hx5 h SER 49 Cb 1.39 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 3hx5 h SER 49 CO 0.15 0.23 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.81 3hx5 h HIS 50 N 0.42 0.44 0.68 2.24 6.17 -1.10 -1.92 115.15 122.07 3hx5 h HIS 50 Ca 0.16 -0.06 -0.03 0.00 0.71 0.00 0.00 60.37 61.15 3hx5 h HIS 50 Cb 0.05 -0.12 0.01 0.00 2.52 0.00 0.00 27.41 29.87 3hx5 h HIS 50 CO -0.09 0.53 -0.32 0.35 0.71 0.00 0.00 177.93 179.10 3hx5 h PHE 51 N 0.38 -0.84 0.00 5.26 3.57 -1.13 -1.76 116.94 122.42 3hx5 h PHE 51 Ca 0.07 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hx5 h PHE 51 Cb 0.45 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 3hx5 h PHE 51 CO 0.01 -0.50 -0.01 0.74 -2.23 0.00 0.00 178.31 176.32 3hx5 h PHE 52 N -1.01 0.00 0.04 0.41 0.05 -1.25 -1.61 116.94 113.56 3hx5 h PHE 52 Ca -0.09 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.45 3hx5 h PHE 52 Cb 0.72 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.65 3hx5 h PHE 52 CO -0.01 0.01 -1.26 0.00 -0.18 0.00 0.00 178.31 176.87 3hx5 h ARG 53 N 0.00 0.09 -0.08 1.51 3.08 -1.12 -2.62 114.38 115.24 3hx5 h ARG 53 Ca -0.00 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 3hx5 h ARG 53 Cb 0.13 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3hx5 h ARG 53 CO 0.00 0.96 -0.63 0.93 -1.07 0.00 0.00 179.97 180.16 3hx5 h GLU 54 N 0.02 0.29 -0.20 0.04 5.08 -0.41 -2.65 114.58 116.75 3hx5 h GLU 54 Ca -0.12 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 57.89 3hx5 h GLU 54 Cb 1.89 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 3hx5 h GLU 54 CO 0.14 0.82 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.41 3hx5 h LEU 55 N 0.21 0.58 -1.56 1.33 3.38 -1.39 -1.25 115.31 116.61 3hx5 h LEU 55 Ca -0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3hx5 h LEU 55 Cb 1.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3hx5 h LEU 55 CO 0.10 0.97 -0.01 0.00 0.09 0.00 0.00 178.44 179.60 3hx5 h ALA 56 N 1.04 1.64 0.02 1.53 0.00 -1.28 -1.97 119.26 120.25 3hx5 h ALA 56 Ca 0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 3hx5 h ALA 56 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hx5 h ALA 56 CO 0.09 0.27 -1.01 1.49 0.00 0.00 0.00 179.25 180.09 3hx5 h GLU 57 N 0.27 0.05 -0.24 0.00 4.57 -1.06 -2.84 114.58 115.32 3hx5 h GLU 57 Ca 0.06 -0.08 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 3hx5 h GLU 57 Cb 0.20 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3hx5 h GLU 57 CO 0.00 1.01 -0.38 0.93 -1.18 0.00 0.00 179.01 179.39 3hx5 h GLU 58 N 0.02 0.55 0.00 1.92 5.08 -0.68 -2.05 114.58 119.40 3hx5 h GLU 58 Ca -0.03 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 3hx5 h GLU 58 Cb 1.75 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 3hx5 h GLU 58 CO 0.14 0.84 -0.48 0.87 -1.00 0.00 0.00 179.01 179.38 3hx5 h LYS 59 N 0.45 0.00 -0.34 2.33 1.79 -1.40 -1.02 116.57 118.39 3hx5 h LYS 59 Ca 0.04 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 3hx5 h LYS 59 Cb 0.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 3hx5 h LYS 59 CO 0.07 0.48 -0.19 -0.09 -1.08 0.00 0.00 179.45 178.65 3hx5 h ARG 60 N 0.00 0.74 0.00 3.15 2.43 -1.20 -1.43 114.38 118.06 3hx5 h ARG 60 Ca -0.00 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3hx5 h ARG 60 Cb 0.95 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3hx5 h ARG 60 CO 0.06 0.94 0.00 0.93 -1.51 0.00 0.00 179.97 180.40 3hx5 h GLU 61 N 0.51 0.00 0.27 0.20 5.08 -1.10 -1.89 114.58 117.64 3hx5 h GLU 61 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hx5 h GLU 61 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3hx5 h GLU 61 CO 0.06 0.00 -0.13 0.78 -1.00 0.00 0.00 179.01 178.72 3hx5 h GLY 62 N 2.45 -0.38 2.00 -3.84 0.00 -0.22 -2.52 103.07 100.56 3hx5 h GLY 62 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3hx5 h GLY 62 CO 0.00 -0.14 -0.03 0.10 0.00 0.00 0.00 176.54 176.48 3hx5 h TYR 63 N -0.76 0.00 0.01 5.60 -0.00 -1.25 -0.72 116.97 119.85 3hx5 h TYR 63 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.48 3hx5 h TYR 63 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.00 3hx5 h TYR 63 CO 0.03 0.03 -0.92 0.93 -0.00 0.00 0.00 178.16 178.23 3hx5 h GLU 64 N 0.00 0.24 -0.08 0.10 5.08 -1.41 -1.71 114.58 116.79 3hx5 h GLU 64 Ca -0.00 -0.27 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 3hx5 h GLU 64 Cb 0.12 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hx5 h GLU 64 CO 0.00 1.00 -0.66 -0.09 -1.00 0.00 0.00 179.01 178.26 3hx5 h ARG 65 N 0.13 0.33 0.35 2.33 2.43 -0.70 -2.08 114.38 117.17 3hx5 h ARG 65 Ca -0.06 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 3hx5 h ARG 65 Cb 1.56 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 3hx5 h ARG 65 CO 0.14 0.88 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.24 3hx5 h LEU 66 N 0.23 -0.40 -2.12 3.80 3.38 -1.29 -2.33 115.31 116.59 3hx5 h LEU 66 Ca -0.02 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 66 Cb 1.21 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3hx5 h LEU 66 CO 0.11 -0.03 0.26 -0.07 0.09 0.00 0.00 178.44 178.80 3hx5 h LEU 67 N -0.83 0.00 -0.08 1.67 3.38 -1.32 0.96 115.31 119.09 3hx5 h LEU 67 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3hx5 h LEU 67 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hx5 h LEU 67 CO 0.08 0.00 -0.67 0.50 0.09 0.00 0.00 178.44 178.44 3hx5 h LYS 68 N 0.00 0.60 -0.27 1.13 3.64 -1.24 -3.01 116.57 117.41 3hx5 h LYS 68 Ca 0.13 -0.54 -0.11 0.00 -1.27 0.00 0.00 60.65 58.86 3hx5 h LYS 68 Cb 0.65 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3hx5 h LYS 68 CO -0.00 1.16 -0.30 1.98 -2.27 0.00 0.00 179.45 180.01 3hx5 h MET 69 N 0.23 0.56 -0.69 1.90 4.05 -0.49 -2.18 114.93 118.30 3hx5 h MET 69 Ca -0.06 -0.24 0.08 0.00 -0.28 0.00 0.00 59.70 59.20 3hx5 h MET 69 Cb 1.33 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 32.07 3hx5 h MET 69 CO 0.14 0.80 0.46 0.37 0.23 0.00 0.00 176.91 178.91 3hx5 h GLN 70 N 0.48 0.61 0.00 0.39 5.75 -0.87 -0.62 115.11 120.85 3hx5 h GLN 70 Ca 0.06 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.39 3hx5 h GLN 70 Cb 0.77 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 3hx5 h GLN 70 CO 0.06 0.40 -1.10 -0.91 -2.65 0.00 0.00 178.83 174.63 3hx5 h ASN 71 N 0.63 0.00 0.61 -0.69 2.35 -1.36 0.20 115.58 117.32 3hx5 h ASN 71 Ca 0.31 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.96 3hx5 h ASN 71 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3hx5 h ASN 71 CO -0.10 0.49 -0.51 1.56 -1.65 0.00 0.00 177.43 177.22 3hx5 h GLN 72 N 0.00 0.00 0.00 0.81 4.20 -0.52 -2.85 115.11 116.75 3hx5 h GLN 72 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3hx5 h GLN 72 Cb 1.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.24 3hx5 h GLN 72 CO 0.05 0.51 -0.50 0.54 -0.67 0.00 0.00 178.83 178.75 3hx5 n ARG 73 N -3.80 0.09 -0.28 1.46 5.12 -0.53 -4.93 116.66 113.79 3hx5 n ARG 73 Ca -0.01 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 3hx5 n ARG 73 Cb 0.54 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 3hx5 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx5 n GLY 74 N 1.45 0.83 3.83 -0.13 0.00 -1.08 -3.95 105.19 106.14 3hx5 n GLY 74 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3hx5 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx5 s GLY 75 N -1.89 1.59 -0.17 -0.02 0.00 0.71 -4.73 107.32 102.82 3hx5 s GLY 75 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.26 3hx5 s GLY 75 CO 0.00 0.03 -0.19 0.50 0.00 0.00 0.00 173.10 173.44 3hx5 s ARG 76 N -5.33 3.05 0.02 2.90 1.81 -1.26 -4.41 118.95 115.73 3hx5 s ARG 76 Ca 0.62 -0.81 -0.30 0.00 -1.72 0.00 0.00 55.73 53.52 3hx5 s ARG 76 Cb -0.13 -2.58 -0.06 0.00 -0.45 0.00 0.00 34.95 31.72 3hx5 s ARG 76 CO 0.52 -0.14 1.42 0.00 -0.68 0.00 0.00 175.30 176.43 3hx5 s ALA 77 N 1.14 3.59 -0.11 2.13 0.00 -1.26 -4.99 121.76 122.27 3hx5 s ALA 77 Ca 0.01 0.95 0.03 0.00 0.00 0.00 0.00 51.96 52.94 3hx5 s ALA 77 Cb -0.14 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.39 3hx5 s ALA 77 CO -0.08 -0.89 -0.19 -0.51 0.00 0.00 0.00 175.76 174.09 3hx5 s LEU 78 N 2.23 1.90 -0.00 0.00 1.43 -1.26 -5.14 118.68 117.84 3hx5 s LEU 78 Ca 0.65 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3hx5 s LEU 78 Cb -0.33 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3hx5 s LEU 78 CO 0.28 0.07 -0.00 -0.36 0.23 0.00 0.00 176.35 176.57 3hx5 s PHE 79 N 0.71 3.07 0.46 0.29 0.08 -1.26 -4.87 117.98 116.46 3hx5 s PHE 79 Ca -0.11 0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.05 3hx5 s PHE 79 Cb -0.16 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 3hx5 s PHE 79 CO 0.02 0.46 0.02 -0.65 -0.10 0.00 0.00 175.22 174.97 3hx5 s GLN 80 N -1.55 2.06 0.40 0.44 -1.52 -1.26 -5.11 119.66 113.12 3hx5 s GLN 80 Ca 0.19 -2.26 -0.27 0.00 -1.95 0.00 0.00 55.36 51.08 3hx5 s GLN 80 Cb -0.11 -1.45 -0.10 0.00 -0.22 0.00 0.00 33.01 31.13 3hx5 s GLN 80 CO 0.10 -0.26 1.42 -0.51 -0.25 0.00 0.00 175.29 175.80 3hx5 s ASP 81 N -3.78 6.20 -0.34 5.90 -0.00 -1.26 -4.96 116.67 118.43 3hx5 s ASP 81 Ca 0.19 2.92 -0.16 0.00 -0.00 0.00 0.00 52.55 55.49 3hx5 s ASP 81 Cb 0.05 -2.66 -0.01 0.00 -0.00 0.00 0.00 42.92 40.30 3hx5 s ASP 81 CO 0.10 -0.95 0.42 -0.63 -0.00 0.00 0.00 175.17 174.10 3hx5 s ILE 82 N -1.17 5.12 0.23 0.77 1.01 -1.26 -5.05 121.20 120.85 3hx5 s ILE 82 Ca 0.56 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3hx5 s ILE 82 Cb -0.44 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 3hx5 s ILE 82 CO 0.58 -0.14 1.30 -0.54 0.00 0.00 0.00 174.94 176.14 3hx5 s LYS 83 N 2.15 4.39 0.72 2.79 1.02 -1.26 -4.99 119.74 124.55 3hx5 s LYS 83 Ca 0.14 2.09 -0.16 0.00 0.02 0.00 0.00 55.97 58.06 3hx5 s LYS 83 Cb -0.16 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 3hx5 s LYS 83 CO 0.12 -0.22 1.26 -1.59 -0.92 0.00 0.00 175.35 174.00 3hx5 s LYS 84 N -0.54 2.14 0.66 1.68 -2.85 -1.26 -4.87 119.74 114.70 3hx5 s LYS 84 Ca 0.55 1.95 -0.17 0.00 -1.00 0.00 0.00 55.97 57.29 3hx5 s LYS 84 Cb -0.37 -1.81 -0.01 0.00 -2.06 0.00 0.00 37.83 33.58 3hx5 s LYS 84 CO 0.41 -1.88 1.18 -2.30 0.10 0.00 0.00 175.35 172.87 3hx5 n PRO 85 N -2.51 0.92 -0.08 1.78 -0.02 -1.26 -4.89 135.00 128.94 3hx5 n PRO 85 Ca 0.15 0.37 0.21 0.00 -2.02 0.00 0.00 63.50 62.21 3hx5 n PRO 85 Cb 0.49 -2.42 0.66 0.00 -0.02 0.00 0.00 33.50 32.21 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 h ALA 86 N 0.30 2.50 -2.11 3.55 0.00 -1.97 -3.43 119.26 118.09 3hx5 h ALA 86 Ca -0.50 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 53.94 3hx5 h ALA 86 Cb 1.34 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 3hx5 h ALA 86 CO 0.51 -0.68 -0.67 -1.21 0.00 0.00 0.00 179.25 177.20 3hx5 s GLU 87 N -5.09 1.49 -0.19 0.00 0.41 -1.26 -5.05 118.70 109.01 3hx5 s GLU 87 Ca -0.06 -1.76 0.09 0.00 -0.41 0.00 0.00 54.97 52.84 3hx5 s GLU 87 Cb 0.20 -1.00 -0.18 0.00 -1.78 0.00 0.00 34.13 31.37 3hx5 s GLU 87 CO 0.75 -0.00 -0.06 -0.25 -0.49 0.00 0.00 175.26 175.21 3hx5 n ASP 88 N -0.54 1.52 -4.02 -0.19 8.00 -1.26 -4.95 116.55 115.12 3hx5 n ASP 88 Ca -0.05 -0.06 -0.23 0.00 0.71 0.00 0.00 54.79 55.16 3hx5 n ASP 88 Cb 0.64 0.32 -0.16 0.00 -0.02 0.00 0.00 41.12 41.90 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 -2.42 1.48 -0.38 -1.24 2.02 -1.26 -5.00 118.70 111.89 3hx5 s GLU 89 Ca -0.18 -0.38 0.07 0.00 0.02 0.00 0.00 54.97 54.50 3hx5 s GLU 89 Cb 0.06 -1.26 0.70 0.00 0.10 0.00 0.00 34.13 33.72 3hx5 s GLU 89 CO 0.60 0.05 1.84 0.91 0.02 0.00 0.00 175.26 178.69 3hx5 n TRP 90 N 3.67 2.68 -3.14 1.61 7.02 -1.26 -5.06 117.44 122.97 3hx5 n TRP 90 Ca -0.22 -1.54 0.00 0.00 -1.02 0.00 0.00 57.50 54.72 3hx5 n TRP 90 Cb 0.52 -0.80 0.00 0.00 -2.42 0.00 0.00 31.31 28.61 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 -0.70 2.55 3.95 6.99 0.00 -1.26 -3.59 105.19 113.14 3hx5 n GLY 91 Ca 0.50 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 2.63 0.17 1.61 1.02 -1.26 -4.88 119.74 119.03 3hx5 s LYS 92 Ca 0.00 -0.51 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 3hx5 s LYS 92 Cb 0.00 -2.41 0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3hx5 s LYS 92 CO 0.00 -0.72 1.62 1.15 -0.92 0.00 0.00 175.35 176.48 3hx5 h THR 93 N -0.03 0.34 -0.96 2.17 2.02 -2.00 -0.85 112.91 113.61 3hx5 h THR 93 Ca -0.44 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.84 3hx5 h THR 93 Cb 1.29 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 3hx5 h THR 93 CO 0.56 0.00 0.60 -0.65 0.37 0.00 0.00 175.52 176.40 3hx5 h PRO 94 N -0.18 0.97 -0.26 6.66 0.11 -1.95 0.18 132.00 137.54 3hx5 h PRO 94 Ca 0.19 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.26 3hx5 h PRO 94 Cb 0.47 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3hx5 h PRO 94 CO -0.50 0.64 0.11 -0.44 -0.21 0.00 0.00 178.00 177.60 3hx5 h ASP 95 N 1.00 0.14 -0.23 -2.05 3.45 -1.48 0.11 116.42 117.35 3hx5 h ASP 95 Ca 0.45 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.92 3hx5 h ASP 95 Cb 0.36 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3hx5 h ASP 95 CO -0.23 0.11 0.10 0.00 -1.57 0.00 0.00 179.24 177.65 3hx5 h ALA 96 N 1.15 0.30 -0.37 3.45 0.00 -0.55 -2.03 119.26 121.21 3hx5 h ALA 96 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hx5 h ALA 96 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hx5 h ALA 96 CO -0.10 -0.11 0.16 1.98 0.00 0.00 0.00 179.25 181.18 3hx5 h MET 97 N 0.23 0.52 -0.48 0.00 -1.53 -0.30 -0.69 114.93 112.68 3hx5 h MET 97 Ca 0.08 -0.06 -0.11 0.00 -3.44 0.00 0.00 59.70 56.17 3hx5 h MET 97 Cb 0.17 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.10 3hx5 h MET 97 CO -0.01 0.43 -0.12 0.87 0.14 0.00 0.00 176.91 178.23 3hx5 h LYS 98 N 0.53 0.90 0.00 0.39 1.57 -0.44 -1.37 116.57 118.14 3hx5 h LYS 98 Ca 0.13 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 3hx5 h LYS 98 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3hx5 h LYS 98 CO -0.01 0.97 -0.54 0.00 -0.57 0.00 0.00 179.45 179.29 3hx5 h ALA 99 N 1.06 0.93 -0.24 3.86 0.00 -0.65 -2.31 119.26 121.90 3hx5 h ALA 99 Ca 0.13 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 3hx5 h ALA 99 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hx5 h ALA 99 CO 0.04 0.67 -0.58 0.00 0.00 0.00 0.00 179.25 179.38 3hx5 h ALA 100 N 1.46 0.52 -0.21 0.00 0.00 -0.81 -1.73 119.26 118.49 3hx5 h ALA 100 Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 3hx5 h ALA 100 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hx5 h ALA 100 CO 0.07 0.69 0.04 1.98 0.00 0.00 0.00 179.25 182.03 3hx5 h MET 101 N 0.58 0.35 -0.89 0.00 -1.53 -1.18 -1.15 114.93 111.11 3hx5 h MET 101 Ca 0.00 -0.09 0.07 0.00 -3.44 0.00 0.00 59.70 56.24 3hx5 h MET 101 Cb 1.18 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 32.13 3hx5 h MET 101 CO 0.12 0.49 0.58 0.00 0.14 0.00 0.00 176.91 178.24 3hx5 h ALA 102 N 0.84 1.54 -0.09 0.39 0.00 -1.35 -0.72 119.26 119.89 3hx5 h ALA 102 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hx5 h ALA 102 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hx5 h ALA 102 CO 0.00 0.32 -0.02 1.25 0.00 0.00 0.00 179.25 180.80 3hx5 h LEU 103 N 0.99 0.17 -1.02 0.00 5.85 -1.04 -2.14 115.31 118.12 3hx5 h LEU 103 Ca 0.39 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3hx5 h LEU 103 Cb 0.23 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3hx5 h LEU 103 CO -0.15 0.50 0.21 -0.33 -0.34 0.00 0.00 178.44 178.34 3hx5 h GLU 104 N -0.17 0.92 -0.48 1.25 4.39 -0.63 -1.43 114.58 118.43 3hx5 h GLU 104 Ca 0.02 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 3hx5 h GLU 104 Cb 0.43 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3hx5 h GLU 104 CO 0.01 0.78 -0.13 0.87 -1.16 0.00 0.00 179.01 179.37 3hx5 h LYS 105 N 0.89 0.94 -0.87 2.33 1.57 -1.15 0.16 116.57 120.45 3hx5 h LYS 105 Ca 0.20 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3hx5 h LYS 105 Cb 0.23 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3hx5 h LYS 105 CO -0.01 1.03 0.57 -0.22 -0.57 0.00 0.00 179.45 180.24 3hx5 h LYS 106 N 0.79 1.09 -0.20 3.15 3.64 -0.96 0.14 116.57 124.21 3hx5 h LYS 106 Ca 0.12 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 3hx5 h LYS 106 Cb 0.69 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3hx5 h LYS 106 CO 0.05 0.72 -0.53 -0.07 -2.27 0.00 0.00 179.45 177.35 3hx5 h LEU 107 N 1.12 0.81 -1.21 5.20 3.38 -1.07 -2.66 115.31 120.88 3hx5 h LEU 107 Ca 0.34 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hx5 h LEU 107 Cb -0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3hx5 h LEU 107 CO -0.10 1.25 0.39 -1.13 0.09 0.00 0.00 178.44 178.93 3hx5 h ASN 108 N 0.42 0.83 -0.19 -0.43 -1.24 -0.31 -0.12 115.58 114.54 3hx5 h ASN 108 Ca -0.01 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 3hx5 h ASN 108 Cb 1.15 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 3hx5 h ASN 108 CO 0.12 0.66 0.05 -0.61 -1.29 0.00 0.00 177.43 176.35 3hx5 h GLN 109 N 0.95 0.29 -0.74 6.67 5.75 -0.70 -0.51 115.11 126.82 3hx5 h GLN 109 Ca 0.24 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 3hx5 h GLN 109 Cb -0.00 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 3hx5 h GLN 109 CO -0.04 0.41 0.42 0.00 -2.65 0.00 0.00 178.83 176.97 3hx5 h ALA 110 N 0.87 1.34 -0.47 3.38 0.00 -1.06 -0.09 119.26 123.24 3hx5 h ALA 110 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hx5 h ALA 110 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hx5 h ALA 110 CO -0.00 0.55 0.17 -0.07 0.00 0.00 0.00 179.25 179.90 3hx5 h LEU 111 N 1.03 0.65 -0.84 0.00 3.38 -0.67 -0.82 115.31 118.05 3hx5 h LEU 111 Ca 0.26 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3hx5 h LEU 111 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3hx5 h LEU 111 CO -0.04 0.66 0.27 -0.07 0.09 0.00 0.00 178.44 179.34 3hx5 h LEU 112 N 0.61 1.04 -1.19 1.67 3.38 -0.52 -0.62 115.31 119.69 3hx5 h LEU 112 Ca 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3hx5 h LEU 112 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hx5 h LEU 112 CO -0.01 0.95 0.14 0.44 0.09 0.00 0.00 178.44 180.04 3hx5 h ASP 113 N 1.09 0.65 0.47 -0.43 3.45 -0.66 0.04 116.42 121.02 3hx5 h ASP 113 Ca 0.25 -0.09 -0.17 0.00 0.43 0.00 0.00 57.03 57.44 3hx5 h ASP 113 Cb 0.25 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3hx5 h ASP 113 CO -0.02 0.63 -0.74 0.25 -1.57 0.00 0.00 179.24 177.79 3hx5 h LEU 114 N 0.69 0.26 -0.57 1.55 5.85 -0.57 -1.57 115.31 120.95 3hx5 h LEU 114 Ca 0.16 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 3hx5 h LEU 114 Cb 0.22 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3hx5 h LEU 114 CO -0.01 0.91 -0.72 -0.74 -0.34 0.00 0.00 178.44 177.55 3hx5 h HIS 115 N 0.14 0.01 -0.12 1.25 2.76 -0.45 -1.47 115.15 117.27 3hx5 h HIS 115 Ca -0.02 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3hx5 h HIS 115 Cb 1.30 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.26 3hx5 h HIS 115 CO 0.03 0.72 -0.10 0.00 -1.30 0.00 0.00 177.93 177.27 3hx5 h ALA 116 N 1.28 0.17 0.00 5.26 0.00 -0.91 -2.28 119.26 122.78 3hx5 h ALA 116 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3hx5 h ALA 116 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hx5 h ALA 116 CO 0.09 0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.54 3hx5 h LEU 117 N -0.10 0.00 -0.12 0.00 5.85 -1.23 -1.33 115.31 118.37 3hx5 h LEU 117 Ca 0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3hx5 h LEU 117 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3hx5 h LEU 117 CO 0.03 0.06 -0.39 1.23 -0.34 0.00 0.00 178.44 179.03 3hx5 h GLY 118 N 0.90 0.53 1.15 3.75 0.00 -0.96 -2.80 103.07 105.65 3hx5 h GLY 118 Ca -0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 47.33 46.52 3hx5 h GLY 118 CO 0.01 0.61 -0.15 1.76 0.00 0.00 0.00 176.54 178.77 3hx5 h SER 119 N 0.08 0.99 -0.73 0.19 0.02 -0.82 -0.33 113.55 112.97 3hx5 h SER 119 Ca -0.01 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 60.67 3hx5 h SER 119 Cb 1.01 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 3hx5 h SER 119 CO 0.08 1.13 0.48 0.00 -1.14 0.00 0.00 176.83 177.38 3hx5 h ALA 120 N 0.95 1.74 -0.72 3.77 0.00 -1.27 0.60 119.26 124.32 3hx5 h ALA 120 Ca 0.13 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 3hx5 h ALA 120 Cb 0.72 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.16 3hx5 h ALA 120 CO 0.06 0.13 0.32 0.54 0.00 0.00 0.00 179.25 180.29 3hx5 n ARG 121 N -4.48 2.89 -3.66 0.00 5.12 -1.06 -4.97 116.66 110.49 3hx5 n ARG 121 Ca 0.11 -3.07 -0.21 0.00 -1.93 0.00 0.00 57.85 52.75 3hx5 n ARG 121 Cb 0.26 -2.11 0.01 0.00 -1.16 0.00 0.00 32.46 29.45 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 -0.66 -1.51 -3.65 0.55 -2.24 0.20 -4.88 114.28 102.10 3hx5 n THR 122 Ca 0.44 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.70 3hx5 n THR 122 Cb 1.39 -1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx5 n ASP 123 N -0.87 3.88 0.27 3.42 -0.08 -0.17 -4.95 116.55 118.05 3hx5 n ASP 123 Ca -0.10 -3.24 0.18 0.00 -1.51 0.00 0.00 54.79 50.12 3hx5 n ASP 123 Cb 0.33 -0.90 0.92 0.00 2.34 0.00 0.00 41.12 43.81 3hx5 n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hx5 h PRO 124 N 5.40 0.00 0.23 -0.67 0.13 -1.90 -2.68 132.00 132.52 3hx5 h PRO 124 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3hx5 h PRO 124 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3hx5 h PRO 124 CO 0.84 0.00 -0.11 1.25 -0.23 0.00 0.00 178.00 179.75 3hx5 h HIS 125 N 0.00 -0.29 -0.98 1.56 2.76 -1.97 -2.02 115.15 114.21 3hx5 h HIS 125 Ca 0.05 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.35 3hx5 h HIS 125 Cb 0.39 0.10 -0.08 0.00 1.55 0.00 0.00 27.41 29.36 3hx5 h HIS 125 CO 0.00 0.08 0.62 1.25 -1.30 0.00 0.00 177.93 178.58 3hx5 h LEU 126 N -0.89 0.84 -0.41 0.26 5.85 -1.92 -0.20 115.31 118.85 3hx5 h LEU 126 Ca -0.03 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3hx5 h LEU 126 Cb 0.51 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3hx5 h LEU 126 CO 0.05 0.42 0.08 0.00 -0.34 0.00 0.00 178.44 178.65 3hx5 h ASP 128 N 0.54 0.64 0.29 0.00 3.58 -0.56 -1.62 116.42 119.29 3hx5 h ASP 128 Ca 0.13 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3hx5 h ASP 128 Cb 0.36 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 3hx5 h ASP 128 CO 0.01 0.86 -0.28 0.15 -2.88 0.00 0.00 179.24 177.09 3hx5 h PHE 129 N 0.56 -0.76 -0.54 0.28 3.04 -0.83 0.26 116.94 118.95 3hx5 h PHE 129 Ca 0.08 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 3hx5 h PHE 129 Cb 0.69 0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.47 3hx5 h PHE 129 CO 0.03 -0.41 0.28 -0.07 -2.02 0.00 0.00 178.31 176.12 3hx5 h LEU 130 N -0.60 0.69 -0.82 0.59 3.38 -1.35 -1.46 115.31 115.74 3hx5 h LEU 130 Ca -0.01 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.93 3hx5 h LEU 130 Cb 0.55 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 3hx5 h LEU 130 CO -0.05 0.61 0.47 -0.33 0.09 0.00 0.00 178.44 179.22 3hx5 h GLU 131 N 0.73 0.78 0.20 1.13 5.08 -0.96 -1.26 114.58 120.27 3hx5 h GLU 131 Ca 0.19 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.23 3hx5 h GLU 131 Cb 0.08 -0.18 0.03 0.00 0.50 0.00 0.00 28.75 29.18 3hx5 h GLU 131 CO -0.03 0.52 -1.19 1.15 -1.00 0.00 0.00 179.01 178.46 3hx5 h THR 132 N 0.81 1.36 -0.11 1.13 2.02 -0.68 -3.39 112.91 114.04 3hx5 h THR 132 Ca 0.38 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.96 3hx5 h THR 132 Cb 0.32 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 3hx5 h THR 132 CO -0.23 0.77 0.00 1.41 0.37 0.00 0.00 175.52 177.84 3hx5 n HIS 133 N -3.91 0.14 0.10 3.16 8.25 -0.57 -4.88 115.22 117.51 3hx5 n HIS 133 Ca -0.16 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 3hx5 n HIS 133 Cb 0.97 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.06 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 0.35 -1.53 -0.23 4.41 3.72 -0.63 -4.79 117.46 118.76 3hx5 n PHE 134 Ca 0.06 0.27 0.03 0.00 -0.05 0.00 0.00 57.45 57.77 3hx5 n PHE 134 Cb 0.28 0.44 0.15 0.00 -0.94 0.00 0.00 39.48 39.41 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 0.12 -0.33 4.37 3.38 -1.49 -1.82 115.31 119.54 3hx5 h LEU 135 Ca 0.00 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3hx5 h LEU 135 Cb 0.06 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hx5 h LEU 135 CO 0.00 0.04 -0.25 -0.78 0.09 0.00 0.00 178.44 177.54 3hx5 h ASP 136 N 0.34 0.79 -0.97 -0.43 -0.00 -1.82 -2.90 116.42 111.43 3hx5 h ASP 136 Ca 0.37 -0.44 0.03 0.00 -0.00 0.00 0.00 57.03 56.98 3hx5 h ASP 136 Cb 0.57 -0.22 -0.05 0.00 -0.00 0.00 0.00 39.33 39.63 3hx5 h ASP 136 CO -0.42 1.07 0.64 -0.33 -0.00 0.00 0.00 179.24 180.20 3hx5 h GLU 137 N 0.53 1.23 -0.27 0.28 4.39 -1.73 -1.70 114.58 117.31 3hx5 h GLU 137 Ca 0.06 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3hx5 h GLU 137 Cb 0.82 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3hx5 h GLU 137 CO 0.07 0.81 -0.01 0.93 -1.16 0.00 0.00 179.01 179.65 3hx5 h GLU 138 N 1.27 0.48 -0.36 2.33 4.39 -1.33 -1.51 114.58 119.86 3hx5 h GLU 138 Ca 0.37 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.94 3hx5 h GLU 138 Cb -0.06 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 3hx5 h GLU 138 CO -0.10 0.65 0.19 0.28 -1.16 0.00 0.00 179.01 178.87 3hx5 h VAL 139 N 0.25 1.00 -0.73 3.13 2.07 -1.27 0.52 116.25 121.23 3hx5 h VAL 139 Ca 0.07 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3hx5 h VAL 139 Cb 0.45 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hx5 h VAL 139 CO 0.02 0.07 0.29 0.11 0.02 0.00 0.00 177.57 178.07 3hx5 h LYS 140 N 0.38 1.08 -0.16 1.57 1.57 -1.28 -0.84 116.57 118.89 3hx5 h LYS 140 Ca 0.15 -0.19 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 3hx5 h LYS 140 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3hx5 h LYS 140 CO -0.09 0.88 -0.69 1.25 -0.57 0.00 0.00 179.45 180.22 3hx5 h LEU 141 N 1.05 0.76 -0.86 2.94 5.85 -0.63 -1.93 115.31 122.49 3hx5 h LEU 141 Ca 0.24 -0.47 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 3hx5 h LEU 141 Cb 0.20 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3hx5 h LEU 141 CO -0.02 1.24 -0.35 0.40 -0.34 0.00 0.00 178.44 179.36 3hx5 h ILE 142 N 0.46 1.29 -0.15 4.05 2.04 0.35 -0.82 117.51 124.73 3hx5 h ILE 142 Ca -0.03 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 3hx5 h ILE 142 Cb 1.29 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3hx5 h ILE 142 CO 0.14 0.45 0.04 0.50 0.00 0.00 0.00 178.15 179.27 3hx5 h LYS 143 N 0.36 0.25 -0.63 2.37 1.63 -1.06 -0.39 116.57 119.10 3hx5 h LYS 143 Ca 0.04 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3hx5 h LYS 143 Cb 0.79 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 3hx5 h LYS 143 CO 0.06 0.40 0.37 -0.22 -3.45 0.00 0.00 179.45 176.61 3hx5 h LYS 144 N 0.05 0.86 -0.01 1.90 3.64 -1.12 -0.47 116.57 121.42 3hx5 h LYS 144 Ca 0.05 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3hx5 h LYS 144 Cb 0.27 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3hx5 h LYS 144 CO 0.00 0.63 -0.23 0.52 -2.27 0.00 0.00 179.45 178.10 3hx5 h MET 145 N 0.85 0.02 -0.10 1.90 2.86 -1.01 -1.83 114.93 117.62 3hx5 h MET 145 Ca 0.22 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3hx5 h MET 145 Cb -0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3hx5 h MET 145 CO -0.04 0.25 -0.00 0.78 1.06 0.00 0.00 176.91 178.95 3hx5 h GLY 146 N 0.71 0.20 0.92 8.32 0.00 0.45 -2.20 103.07 111.45 3hx5 h GLY 146 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.21 3hx5 h GLY 146 CO 0.03 0.13 0.47 -0.55 0.00 0.00 0.00 176.54 176.62 3hx5 h ASP 147 N -0.10 0.78 0.13 0.19 3.32 -0.85 -2.27 116.42 117.63 3hx5 h ASP 147 Ca 0.03 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3hx5 h ASP 147 Cb 0.36 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3hx5 h ASP 147 CO 0.01 0.55 -0.27 0.45 -1.72 0.00 0.00 179.24 178.26 3hx5 h HIS 148 N 0.93 -0.72 -0.82 4.55 3.86 -1.23 -0.94 115.15 120.78 3hx5 h HIS 148 Ca 0.28 0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.66 3hx5 h HIS 148 Cb -0.03 0.30 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 3hx5 h HIS 148 CO -0.03 -0.37 0.54 -0.07 0.86 0.00 0.00 177.93 178.85 3hx5 h LEU 149 N -0.49 0.51 0.35 2.43 3.38 -1.11 0.51 115.31 120.89 3hx5 h LEU 149 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hx5 h LEU 149 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hx5 h LEU 149 CO -0.14 0.26 -0.17 0.74 0.09 0.00 0.00 178.44 179.22 3hx5 h THR 150 N 0.54 0.65 0.00 0.22 2.02 -0.75 -2.31 112.91 113.28 3hx5 h THR 150 Ca 0.41 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3hx5 h THR 150 Cb 0.81 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3hx5 h THR 150 CO -0.16 0.09 -0.13 0.78 0.37 0.00 0.00 175.52 176.47 3hx5 h ASN 151 N -0.74 0.00 0.26 4.18 2.35 -0.33 -1.56 115.58 119.74 3hx5 h ASN 151 Ca -0.05 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.48 3hx5 h ASN 151 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3hx5 h ASN 151 CO 0.08 0.13 -0.92 -0.07 -1.65 0.00 0.00 177.43 175.00 3hx5 h LEU 152 N 0.00 0.59 -0.58 1.61 3.38 -0.85 -2.60 115.31 116.86 3hx5 h LEU 152 Ca -0.00 -0.46 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 3hx5 h LEU 152 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hx5 h LEU 152 CO 0.02 1.25 -0.48 -0.74 0.09 0.00 0.00 178.44 178.58 3hx5 h HIS 153 N 0.27 0.71 -0.34 1.13 2.76 -0.99 -3.08 115.15 115.61 3hx5 h HIS 153 Ca -0.08 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 57.82 3hx5 h HIS 153 Cb 1.55 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.35 3hx5 h HIS 153 CO 0.06 0.95 0.04 -0.09 -1.30 0.00 0.00 177.93 177.60 3hx5 h ARG 154 N 0.46 0.52 -1.53 5.26 2.43 -1.25 -2.89 114.38 117.37 3hx5 h ARG 154 Ca 0.02 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3hx5 h ARG 154 Cb 1.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3hx5 h ARG 154 CO 0.09 0.51 0.09 1.28 -1.51 0.00 0.00 179.97 180.43 3hx5 n LEU 155 N -4.32 4.72 -0.95 3.80 4.77 -0.99 -5.09 117.00 118.94 3hx5 n LEU 155 Ca 0.02 -2.26 0.12 0.00 -0.03 0.00 0.00 56.01 53.86 3hx5 n LEU 155 Cb 0.21 -0.88 0.11 0.00 -2.33 0.00 0.00 43.42 40.53 3hx5 n LEU 155 CO 0.38 0.86 0.64 0.61 -1.33 0.00 0.00 177.39 178.55