#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 n MET 1 N 0.00 -3.16 -3.98 5.56 2.81 -1.26 -5.08 117.12 112.01 3hx7 n MET 1 Ca 0.00 -1.58 -0.09 0.00 -1.81 0.00 0.00 57.70 54.22 3hx7 n MET 1 Cb 0.00 -1.53 -0.11 0.00 -0.71 0.00 0.00 33.22 30.87 3hx7 n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3hx7 s SER 2 N -4.08 0.24 0.65 7.83 0.15 -1.26 -5.15 113.70 112.09 3hx7 s SER 2 Ca 0.65 -0.51 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 3hx7 s SER 2 Cb -0.07 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 3hx7 s SER 2 CO 0.50 -0.31 1.23 -0.55 1.20 0.00 0.00 173.24 175.32 3hx7 s SER 3 N -1.49 4.73 0.02 5.45 0.15 -1.26 -4.98 113.70 116.33 3hx7 s SER 3 Ca -0.16 2.44 -0.08 0.00 0.70 0.00 0.00 55.95 58.86 3hx7 s SER 3 Cb -0.10 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 3hx7 s SER 3 CO -0.01 -1.90 1.12 1.56 1.20 0.00 0.00 173.24 175.21 3hx7 h GLN 4 N 0.44 -0.21 -0.01 5.44 4.20 -1.99 -3.17 115.11 119.81 3hx7 h GLN 4 Ca -0.50 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3hx7 h GLN 4 Cb 1.31 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 3hx7 h GLN 4 CO 0.53 -0.14 0.01 -0.84 -0.67 0.00 0.00 178.83 177.72 3hx7 h ILE 5 N -0.21 0.38 -1.80 2.54 3.07 -1.93 -3.46 117.51 116.08 3hx7 h ILE 5 Ca -0.01 0.00 -0.64 0.00 1.55 0.00 0.00 64.86 65.75 3hx7 h ILE 5 Cb 0.19 0.99 0.10 0.00 -0.27 0.00 0.00 36.82 37.83 3hx7 h ILE 5 CO -0.02 0.00 -0.08 -1.14 -1.05 0.00 0.00 178.15 175.85 3hx7 n ARG 6 N -3.63 0.79 -3.53 0.16 0.63 -1.20 -4.90 116.66 104.98 3hx7 n ARG 6 Ca -0.03 0.28 -0.01 0.00 -0.92 0.00 0.00 57.85 57.17 3hx7 n ARG 6 Cb 0.09 -1.54 -0.05 0.00 0.45 0.00 0.00 32.46 31.41 3hx7 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx7 s GLN 7 N -1.10 0.37 -1.40 -0.14 0.74 -1.26 -4.96 119.66 111.91 3hx7 s GLN 7 Ca 0.64 0.80 -0.05 0.00 0.05 0.00 0.00 55.36 56.80 3hx7 s GLN 7 Cb -0.83 0.33 0.03 0.00 1.10 0.00 0.00 33.01 33.63 3hx7 s GLN 7 CO 0.57 -0.10 0.40 -1.71 -0.55 0.00 0.00 175.29 173.90 3hx7 n ASN 8 N 4.50 -4.93 -3.97 6.67 5.15 -1.26 -4.94 115.26 116.49 3hx7 n ASN 8 Ca -0.14 -0.21 -0.30 0.00 -0.60 0.00 0.00 54.58 53.33 3hx7 n ASN 8 Cb 0.54 -4.05 -0.14 0.00 -0.53 0.00 0.00 39.78 35.60 3hx7 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx7 s TYR 9 N -2.99 3.33 0.62 1.20 5.04 -1.26 -4.81 117.35 118.49 3hx7 s TYR 9 Ca 0.25 -3.09 -0.18 0.00 -2.44 0.00 0.00 57.07 51.61 3hx7 s TYR 9 Cb -0.12 -2.83 -0.02 0.00 0.35 0.00 0.00 41.96 39.34 3hx7 s TYR 9 CO 0.31 -0.81 1.17 -1.54 -1.34 0.00 0.00 175.55 173.34 3hx7 s SER 10 N 0.12 5.13 0.56 4.32 1.04 -1.26 -4.92 113.70 118.71 3hx7 s SER 10 Ca 0.15 2.26 0.32 0.00 0.48 0.00 0.00 55.95 59.16 3hx7 s SER 10 Cb -0.24 -2.58 1.68 0.00 0.10 0.00 0.00 66.02 64.98 3hx7 s SER 10 CO -0.03 -1.62 2.14 0.71 0.98 0.00 0.00 173.24 175.42 3hx7 h THR 11 N 0.60 0.37 -0.03 2.02 1.35 -1.99 -2.45 112.91 112.78 3hx7 h THR 11 Ca -0.49 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 3hx7 h THR 11 Cb 1.28 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3hx7 h THR 11 CO 0.54 0.06 -0.03 0.44 -0.25 0.00 0.00 175.52 176.29 3hx7 h ASP 12 N 0.00 0.08 -0.73 5.36 3.45 -1.99 -2.15 116.42 120.43 3hx7 h ASP 12 Ca -0.00 -0.51 -0.04 0.00 0.43 0.00 0.00 57.03 56.91 3hx7 h ASP 12 Cb 0.25 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 3hx7 h ASP 12 CO 0.01 0.57 0.29 0.58 -1.57 0.00 0.00 179.24 179.12 3hx7 h VAL 13 N -0.41 1.25 -0.45 -1.35 2.07 -1.88 0.02 116.25 115.50 3hx7 h VAL 13 Ca 0.00 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3hx7 h VAL 13 Cb 0.55 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3hx7 h VAL 13 CO 0.01 0.32 0.28 -0.08 0.02 0.00 0.00 177.57 178.12 3hx7 h GLU 14 N 1.08 0.60 -0.31 1.57 4.81 -1.47 0.11 114.58 120.96 3hx7 h GLU 14 Ca 0.25 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 3hx7 h GLU 14 Cb 0.21 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3hx7 h GLU 14 CO -0.02 0.43 -0.24 0.00 -0.73 0.00 0.00 179.01 178.44 3hx7 h ALA 15 N 1.14 0.99 -0.25 2.92 0.00 -1.03 -2.19 119.26 120.83 3hx7 h ALA 15 Ca 0.16 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3hx7 h ALA 15 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hx7 h ALA 15 CO -0.03 0.60 -0.40 0.00 0.00 0.00 0.00 179.25 179.41 3hx7 h ALA 16 N 1.19 0.83 -0.24 0.00 0.00 -0.52 -2.10 119.26 118.43 3hx7 h ALA 16 Ca 0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3hx7 h ALA 16 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hx7 h ALA 16 CO 0.05 0.65 0.01 0.28 0.00 0.00 0.00 179.25 180.25 3hx7 h VAL 17 N 0.48 1.25 -0.20 0.00 2.07 -0.58 0.14 116.25 119.41 3hx7 h VAL 17 Ca 0.04 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3hx7 h VAL 17 Cb 0.91 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3hx7 h VAL 17 CO 0.08 0.27 0.09 0.78 0.02 0.00 0.00 177.57 178.80 3hx7 h ASN 18 N 0.20 0.23 -0.16 0.57 2.35 -1.33 0.34 115.58 117.79 3hx7 h ASN 18 Ca 0.07 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 3hx7 h ASN 18 Cb 0.38 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3hx7 h ASN 18 CO 0.01 0.21 -0.46 -1.28 -1.65 0.00 0.00 177.43 174.26 3hx7 h SER 19 N 0.27 0.68 -0.14 5.81 0.87 -0.98 -2.55 113.55 117.51 3hx7 h SER 19 Ca 0.07 -0.59 -0.07 0.00 -1.23 0.00 0.00 61.79 59.97 3hx7 h SER 19 Cb 0.05 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3hx7 h SER 19 CO -0.01 1.15 -0.13 0.25 -0.53 0.00 0.00 176.83 177.56 3hx7 h LEU 20 N 0.25 0.49 -1.29 2.23 5.85 0.34 -0.56 115.31 122.63 3hx7 h LEU 20 Ca -0.01 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3hx7 h LEU 20 Cb 1.08 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 3hx7 h LEU 20 CO 0.10 0.66 0.48 0.58 -0.34 0.00 0.00 178.44 179.92 3hx7 h VAL 21 N 0.47 1.19 0.06 1.05 2.07 -0.22 -1.66 116.25 119.21 3hx7 h VAL 21 Ca 0.09 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hx7 h VAL 21 Cb 0.51 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3hx7 h VAL 21 CO 0.03 0.18 -0.03 -1.13 0.02 0.00 0.00 177.57 176.64 3hx7 h ASN 22 N 0.99 -0.07 -0.88 0.57 -0.73 -0.73 -1.86 115.58 112.86 3hx7 h ASN 22 Ca 0.27 -0.39 0.23 0.00 1.87 0.00 0.00 56.30 58.27 3hx7 h ASN 22 Cb -0.12 0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.44 3hx7 h ASN 22 CO -0.06 0.36 0.60 0.25 -0.37 0.00 0.00 177.43 178.22 3hx7 h LEU 23 N -0.52 0.22 0.17 0.34 5.85 -0.86 0.63 115.31 121.14 3hx7 h LEU 23 Ca -0.01 0.02 -0.31 0.00 0.84 0.00 0.00 57.88 58.43 3hx7 h LEU 23 Cb 0.46 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.49 3hx7 h LEU 23 CO 0.01 0.08 -1.40 1.88 -0.34 0.00 0.00 178.44 178.67 3hx7 h TYR 24 N 0.21 0.67 -0.44 1.25 -1.99 -1.19 -2.03 116.97 113.47 3hx7 h TYR 24 Ca 0.44 -0.49 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 3hx7 h TYR 24 Cb 1.39 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 40.07 3hx7 h TYR 24 CO -0.00 1.42 0.09 -0.07 -0.00 0.00 0.00 178.16 179.60 3hx7 h LEU 25 N 0.10 0.61 0.09 3.88 3.38 -0.26 -0.39 115.31 122.73 3hx7 h LEU 25 Ca -0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hx7 h LEU 25 Cb 2.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.65 3hx7 h LEU 25 CO 0.22 0.61 -0.05 -0.61 0.09 0.00 0.00 178.44 178.71 3hx7 h GLN 26 N 0.64 -0.12 -0.22 1.13 4.15 -0.94 -2.13 115.11 117.62 3hx7 h GLN 26 Ca 0.14 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3hx7 h GLN 26 Cb 0.26 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3hx7 h GLN 26 CO -0.00 0.16 0.05 0.00 -1.93 0.00 0.00 178.83 177.11 3hx7 h ALA 27 N 0.47 1.68 -0.39 3.38 0.00 -1.10 -1.16 119.26 122.13 3hx7 h ALA 27 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3hx7 h ALA 27 Cb 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hx7 h ALA 27 CO 0.02 0.25 -0.14 1.03 0.00 0.00 0.00 179.25 180.41 3hx7 h SER 28 N 0.31 0.71 0.09 0.00 0.87 -0.77 -0.70 113.55 114.06 3hx7 h SER 28 Ca 0.08 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3hx7 h SER 28 Cb 0.13 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3hx7 h SER 28 CO -0.00 0.86 -0.05 0.22 -0.53 0.00 0.00 176.83 177.33 3hx7 h TYR 29 N 0.64 -0.12 -0.67 2.24 3.20 -0.67 -1.90 116.97 119.69 3hx7 h TYR 29 Ca 0.11 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.09 3hx7 h TYR 29 Cb 0.60 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3hx7 h TYR 29 CO 0.03 0.31 0.45 1.15 -1.64 0.00 0.00 178.16 178.45 3hx7 h THR 30 N -0.59 0.88 0.00 1.81 2.02 -1.09 0.21 112.91 116.15 3hx7 h THR 30 Ca -0.01 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 3hx7 h THR 30 Cb 0.48 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3hx7 h THR 30 CO 0.02 0.08 -0.42 1.88 0.37 0.00 0.00 175.52 177.45 3hx7 h TYR 31 N 0.46 0.00 -0.21 3.16 0.05 -1.05 -2.62 116.97 116.76 3hx7 h TYR 31 Ca 0.31 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.96 3hx7 h TYR 31 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 3hx7 h TYR 31 CO -0.00 0.42 -0.39 1.25 -1.05 0.00 0.00 178.16 178.39 3hx7 h LEU 32 N 0.00 0.71 0.57 3.88 5.85 0.16 -1.68 115.31 124.81 3hx7 h LEU 32 Ca -0.00 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 3hx7 h LEU 32 Cb 1.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3hx7 h LEU 32 CO 0.05 1.12 -0.48 -1.28 -0.34 0.00 0.00 178.44 177.51 3hx7 h SER 33 N 0.33 -1.29 -0.97 1.25 0.87 -1.01 -2.12 113.55 110.62 3hx7 h SER 33 Ca 0.01 0.10 0.19 0.00 -1.23 0.00 0.00 61.79 60.86 3hx7 h SER 33 Cb 0.99 0.41 -0.11 0.00 -0.44 0.00 0.00 62.40 63.25 3hx7 h SER 33 CO 0.09 -0.67 0.55 -0.07 -0.53 0.00 0.00 176.83 176.20 3hx7 h LEU 34 N -1.03 0.68 -0.24 2.23 3.38 -1.49 -1.46 115.31 117.37 3hx7 h LEU 34 Ca -0.07 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hx7 h LEU 34 Cb 0.87 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3hx7 h LEU 34 CO -0.01 0.21 0.16 1.23 0.09 0.00 0.00 178.44 180.11 3hx7 h GLY 35 N 0.67 0.34 1.86 0.83 0.00 -0.67 -2.80 103.07 103.30 3hx7 h GLY 35 Ca 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3hx7 h GLY 35 CO -0.41 0.12 -0.07 0.69 0.00 0.00 0.00 176.54 176.87 3hx7 n PHE 36 N -4.93 0.16 -0.03 5.60 3.01 -0.72 -3.59 117.46 116.97 3hx7 n PHE 36 Ca -0.02 0.05 -0.14 0.00 1.01 0.00 0.00 57.45 58.34 3hx7 n PHE 36 Cb 0.03 -0.54 -0.11 0.00 -0.01 0.00 0.00 39.48 38.84 3hx7 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx7 h TYR 37 N 0.00 0.17 0.00 1.38 3.20 -1.05 -3.00 116.97 117.67 3hx7 h TYR 37 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3hx7 h TYR 37 Cb 0.54 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3hx7 h TYR 37 CO 0.00 0.84 0.00 1.19 -1.64 0.00 0.00 178.16 178.55 3hx7 n PHE 38 N -4.60 0.00 0.46 -3.82 3.72 -1.10 -1.69 117.46 110.43 3hx7 n PHE 38 Ca -0.09 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.39 3hx7 n PHE 38 Cb 0.44 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.86 3hx7 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx7 n ASP 39 N -0.60 0.89 -4.72 4.37 -0.08 -1.14 -1.61 116.55 113.66 3hx7 n ASP 39 Ca 0.03 -0.52 -0.42 0.00 -1.51 0.00 0.00 54.79 52.38 3hx7 n ASP 39 Cb 0.02 1.34 0.00 0.00 2.34 0.00 0.00 41.12 44.81 3hx7 n ASP 39 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hx7 n ARG 40 N -1.70 2.17 0.30 -0.67 1.74 -0.68 -4.67 116.66 113.14 3hx7 n ARG 40 Ca 0.01 0.76 0.15 0.00 -0.77 0.00 0.00 57.85 58.00 3hx7 n ARG 40 Cb 0.34 -2.42 0.91 0.00 -1.02 0.00 0.00 32.46 30.27 3hx7 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx7 h ASP 41 N 2.45 0.00 -0.29 0.55 2.03 -1.93 0.36 116.42 119.58 3hx7 h ASP 41 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 3hx7 h ASP 41 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3hx7 h ASP 41 CO 0.62 0.01 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 3hx7 n ASP 42 N -3.85 1.80 0.00 4.15 3.85 -1.26 -4.12 116.55 117.12 3hx7 n ASP 42 Ca -0.03 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 3hx7 n ASP 42 Cb 0.09 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 3hx7 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx7 n VAL 43 N 0.45 0.00 -3.25 2.12 0.31 -0.58 -5.09 118.33 112.28 3hx7 n VAL 43 Ca 0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.21 3hx7 n VAL 43 Cb 0.31 -0.85 0.02 0.00 -0.91 0.00 0.00 33.84 32.40 3hx7 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx7 n ALA 44 N -2.58 -2.21 -3.24 3.52 0.00 0.12 -4.94 120.51 111.16 3hx7 n ALA 44 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 3hx7 n ALA 44 Cb 0.29 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 3hx7 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hx7 n LEU 45 N -1.19 1.50 -0.33 0.00 4.77 -0.63 -4.97 117.00 116.15 3hx7 n LEU 45 Ca -0.17 -5.00 0.24 0.00 -0.03 0.00 0.00 56.01 51.05 3hx7 n LEU 45 Cb 0.54 0.21 0.46 0.00 -2.33 0.00 0.00 43.42 42.31 3hx7 n LEU 45 CO 0.47 2.11 1.05 -0.08 -1.33 0.00 0.00 177.39 179.61 3hx7 h GLU 46 N 3.88 0.19 0.36 3.23 4.81 -1.93 0.18 114.58 125.30 3hx7 h GLU 46 Ca 0.11 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3hx7 h GLU 46 Cb 0.81 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3hx7 h GLU 46 CO 0.59 0.13 -0.17 0.78 -0.73 0.00 0.00 179.01 179.61 3hx7 h GLY 47 N 0.20 -0.50 1.76 1.92 0.00 -1.93 -0.56 103.07 103.96 3hx7 h GLY 47 Ca 0.73 0.19 -0.09 0.00 0.00 0.00 0.00 47.33 48.16 3hx7 h GLY 47 CO -0.68 -0.18 -0.29 -2.08 0.00 0.00 0.00 176.54 173.30 3hx7 h VAL 48 N -0.49 1.26 0.28 4.60 2.07 -1.47 -2.39 116.25 120.11 3hx7 h VAL 48 Ca -0.05 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3hx7 h VAL 48 Cb 0.37 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3hx7 h VAL 48 CO 0.08 0.38 -0.13 -1.28 0.02 0.00 0.00 177.57 176.64 3hx7 h SER 49 N 0.25 -0.32 -0.74 0.57 0.87 -0.46 -2.58 113.55 111.14 3hx7 h SER 49 Ca 0.04 -0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 3hx7 h SER 49 Cb 0.65 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.65 3hx7 h SER 49 CO 0.05 -0.10 0.49 -0.74 -0.53 0.00 0.00 176.83 176.00 3hx7 h HIS 50 N -0.53 0.86 0.54 2.24 6.17 -1.04 -1.84 115.15 121.55 3hx7 h HIS 50 Ca -0.04 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.04 3hx7 h HIS 50 Cb 0.39 -0.29 -0.00 0.00 2.52 0.00 0.00 27.41 30.03 3hx7 h HIS 50 CO -0.02 0.50 -0.30 0.35 0.71 0.00 0.00 177.93 179.18 3hx7 h PHE 51 N 0.89 -0.77 -0.19 5.26 3.57 -1.27 -1.67 116.94 122.75 3hx7 h PHE 51 Ca 0.30 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3hx7 h PHE 51 Cb 0.08 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3hx7 h PHE 51 CO -0.00 -0.46 -0.11 0.74 -2.23 0.00 0.00 178.31 176.25 3hx7 h PHE 52 N -0.78 0.32 -0.11 0.41 0.05 -1.30 -2.39 116.94 113.14 3hx7 h PHE 52 Ca -0.07 -0.04 -0.06 0.00 3.82 0.00 0.00 57.97 61.63 3hx7 h PHE 52 Cb 0.62 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.47 3hx7 h PHE 52 CO -0.07 0.41 -0.20 0.00 -0.18 0.00 0.00 178.31 178.27 3hx7 h ARG 53 N 0.29 0.19 -0.15 1.51 3.08 -1.03 -1.35 114.38 116.92 3hx7 h ARG 53 Ca 0.06 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3hx7 h ARG 53 Cb 0.37 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hx7 h ARG 53 CO 0.02 0.39 -0.08 0.93 -1.07 0.00 0.00 179.97 180.15 3hx7 h GLU 54 N 0.17 0.32 -0.12 0.04 5.08 -0.81 -2.73 114.58 116.54 3hx7 h GLU 54 Ca 0.03 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3hx7 h GLU 54 Cb 0.46 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3hx7 h GLU 54 CO 0.03 0.65 0.08 -0.07 -1.00 0.00 0.00 179.01 178.71 3hx7 h LEU 55 N -0.02 0.02 -0.73 1.33 3.38 -1.16 0.14 115.31 118.27 3hx7 h LEU 55 Ca 0.03 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 55 Cb 0.56 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3hx7 h LEU 55 CO 0.02 0.02 -0.17 0.00 0.09 0.00 0.00 178.44 178.40 3hx7 h ALA 56 N 1.94 0.91 0.00 1.53 0.00 -1.01 -1.57 119.26 121.07 3hx7 h ALA 56 Ca 0.05 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3hx7 h ALA 56 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hx7 h ALA 56 CO -0.00 0.62 -0.77 1.49 0.00 0.00 0.00 179.25 180.59 3hx7 h GLU 57 N 0.70 0.00 -0.16 0.00 4.57 -0.78 -2.82 114.58 116.09 3hx7 h GLU 57 Ca 0.11 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 3hx7 h GLU 57 Cb 0.67 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 3hx7 h GLU 57 CO 0.05 0.77 -0.42 0.93 -1.18 0.00 0.00 179.01 179.16 3hx7 h GLU 58 N 0.00 0.38 0.00 1.92 5.08 -0.45 -1.49 114.58 120.02 3hx7 h GLU 58 Ca -0.01 -0.19 -0.17 0.00 -1.00 0.00 0.00 59.36 57.99 3hx7 h GLU 58 Cb 1.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 3hx7 h GLU 58 CO 0.10 0.74 -0.80 0.87 -1.00 0.00 0.00 179.01 178.92 3hx7 h LYS 59 N 0.32 0.00 -0.24 2.33 1.79 -1.28 -1.16 116.57 118.33 3hx7 h LYS 59 Ca 0.03 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 3hx7 h LYS 59 Cb 0.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 3hx7 h LYS 59 CO 0.07 0.80 -0.09 -0.09 -1.08 0.00 0.00 179.45 179.06 3hx7 h ARG 60 N 0.00 0.48 0.00 3.15 2.43 -1.26 -0.43 114.38 118.75 3hx7 h ARG 60 Ca -0.01 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3hx7 h ARG 60 Cb 1.42 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.95 3hx7 h ARG 60 CO 0.10 0.74 -0.04 0.93 -1.51 0.00 0.00 179.97 180.19 3hx7 h GLU 61 N 0.21 0.00 -0.04 0.20 5.08 -1.21 -1.06 114.58 117.75 3hx7 h GLU 61 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3hx7 h GLU 61 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hx7 h GLU 61 CO 0.03 0.04 -0.37 0.78 -1.00 0.00 0.00 179.01 178.49 3hx7 h GLY 62 N 1.01 0.35 1.97 -3.84 0.00 -0.03 -2.91 103.07 99.62 3hx7 h GLY 62 Ca -0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 46.62 3hx7 h GLY 62 CO 0.00 0.48 -0.83 0.10 0.00 0.00 0.00 176.54 176.30 3hx7 h TYR 63 N -0.22 0.00 -0.06 5.60 -0.00 -0.79 -2.96 116.97 118.54 3hx7 h TYR 63 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.64 3hx7 h TYR 63 Cb 1.05 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.77 3hx7 h TYR 63 CO 0.14 0.80 -0.24 0.93 -0.00 0.00 0.00 178.16 179.80 3hx7 h GLU 64 N 0.00 0.10 -0.01 0.10 5.08 -1.30 0.15 114.58 118.70 3hx7 h GLU 64 Ca -0.01 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3hx7 h GLU 64 Cb 1.63 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3hx7 h GLU 64 CO 0.10 0.34 -0.85 -0.09 -1.00 0.00 0.00 179.01 177.52 3hx7 h ARG 65 N 0.09 0.22 -0.09 2.33 2.43 -1.49 -1.81 114.38 116.05 3hx7 h ARG 65 Ca 0.01 -0.22 -0.18 0.00 -0.81 0.00 0.00 59.98 58.78 3hx7 h ARG 65 Cb 0.48 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3hx7 h ARG 65 CO 0.03 0.94 -0.70 -0.07 -1.51 0.00 0.00 179.97 178.67 3hx7 h LEU 66 N 0.13 0.48 -0.26 3.80 3.38 -1.12 -2.10 115.31 119.62 3hx7 h LEU 66 Ca -0.04 -0.31 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 3hx7 h LEU 66 Cb 1.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hx7 h LEU 66 CO 0.13 1.04 -0.51 -0.07 0.09 0.00 0.00 178.44 179.11 3hx7 h LEU 67 N 0.29 0.89 -0.80 1.67 3.38 -0.72 -1.07 115.31 118.95 3hx7 h LEU 67 Ca -0.02 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3hx7 h LEU 67 Cb 1.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3hx7 h LEU 67 CO 0.12 1.27 0.51 0.50 0.09 0.00 0.00 178.44 180.93 3hx7 h LYS 68 N 0.55 1.07 -0.26 1.13 1.63 -1.30 -1.95 116.57 117.44 3hx7 h LYS 68 Ca 0.01 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 3hx7 h LYS 68 Cb 1.12 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 3hx7 h LYS 68 CO 0.11 0.73 -0.00 1.98 -3.45 0.00 0.00 179.45 178.83 3hx7 h MET 69 N 1.09 0.47 -0.19 1.90 4.05 -1.33 -2.15 114.93 118.77 3hx7 h MET 69 Ca 0.29 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.61 3hx7 h MET 69 Cb -0.08 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 30.61 3hx7 h MET 69 CO -0.06 0.63 -0.36 0.37 0.23 0.00 0.00 176.91 177.73 3hx7 h GLN 70 N 0.25 -0.38 -0.42 0.39 5.75 -0.75 -0.80 115.11 119.14 3hx7 h GLN 70 Ca 0.07 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3hx7 h GLN 70 Cb 0.42 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 3hx7 h GLN 70 CO 0.01 -0.26 0.23 -0.91 -2.65 0.00 0.00 178.83 175.25 3hx7 h ASN 71 N -0.40 0.51 -0.08 -0.69 4.21 -1.29 -1.46 115.58 116.39 3hx7 h ASN 71 Ca 0.10 -0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.51 3hx7 h ASN 71 Cb 0.57 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 3hx7 h ASN 71 CO -0.41 0.42 -0.17 1.56 -1.29 0.00 0.00 177.43 177.55 3hx7 h GLN 72 N 0.58 0.45 -0.00 0.81 4.20 -0.49 -2.61 115.11 118.05 3hx7 h GLN 72 Ca 0.15 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hx7 h GLN 72 Cb 0.03 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hx7 h GLN 72 CO -0.02 0.61 -0.18 0.54 -0.67 0.00 0.00 178.83 179.10 3hx7 n ARG 73 N -4.18 0.38 -0.27 1.46 5.12 -0.70 -4.92 116.66 113.54 3hx7 n ARG 73 Ca 0.00 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 3hx7 n ARG 73 Cb 0.34 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3hx7 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx7 n GLY 74 N 1.38 0.65 3.78 -0.13 0.00 -0.98 -4.15 105.19 105.74 3hx7 n GLY 74 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3hx7 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx7 s GLY 75 N -1.31 1.66 -0.15 -0.02 0.00 -0.59 -4.63 107.32 102.28 3hx7 s GLY 75 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 3hx7 s GLY 75 CO 0.00 0.47 -0.14 0.50 0.00 0.00 0.00 173.10 173.93 3hx7 s ARG 76 N -4.98 3.29 0.05 2.90 1.81 -1.26 -4.16 118.95 116.58 3hx7 s ARG 76 Ca 0.61 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 53.59 3hx7 s ARG 76 Cb -0.16 -2.66 -0.05 0.00 -0.45 0.00 0.00 34.95 31.63 3hx7 s ARG 76 CO 0.56 0.06 1.15 0.00 -0.68 0.00 0.00 175.30 176.39 3hx7 s ALA 77 N 0.71 3.34 -0.15 2.13 0.00 -1.26 -4.99 121.76 121.54 3hx7 s ALA 77 Ca -0.06 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3hx7 s ALA 77 Cb -0.15 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3hx7 s ALA 77 CO 0.02 -0.39 -0.13 -0.51 0.00 0.00 0.00 175.76 174.75 3hx7 s LEU 78 N 1.04 1.68 -0.03 0.00 1.43 -1.26 -5.13 118.68 116.41 3hx7 s LEU 78 Ca 0.57 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 53.05 3hx7 s LEU 78 Cb -0.27 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 3hx7 s LEU 78 CO 0.29 -0.07 0.34 -0.36 0.23 0.00 0.00 176.35 176.78 3hx7 s PHE 79 N 1.50 3.69 0.47 0.29 0.08 -1.26 -4.88 117.98 117.87 3hx7 s PHE 79 Ca 0.05 0.87 0.04 0.00 0.12 0.00 0.00 56.93 58.01 3hx7 s PHE 79 Cb -0.13 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3hx7 s PHE 79 CO -0.10 0.66 0.09 -0.65 -0.10 0.00 0.00 175.22 175.12 3hx7 s GLN 80 N -1.04 2.14 0.49 0.44 -1.52 -1.26 -5.11 119.66 113.80 3hx7 s GLN 80 Ca 0.21 -2.17 -0.22 0.00 -1.95 0.00 0.00 55.36 51.23 3hx7 s GLN 80 Cb -0.15 -1.71 -0.06 0.00 -0.22 0.00 0.00 33.01 30.86 3hx7 s GLN 80 CO 0.11 -0.26 1.23 -0.51 -0.25 0.00 0.00 175.29 175.61 3hx7 s ASP 81 N -3.88 5.83 -0.43 5.90 -0.00 -1.26 -4.98 116.67 117.84 3hx7 s ASP 81 Ca 0.24 2.46 -0.16 0.00 -0.00 0.00 0.00 52.55 55.09 3hx7 s ASP 81 Cb 0.04 -2.61 0.03 0.00 -0.00 0.00 0.00 42.92 40.38 3hx7 s ASP 81 CO 0.13 -1.16 0.35 -0.63 -0.00 0.00 0.00 175.17 173.86 3hx7 s ILE 82 N -1.47 5.21 0.30 0.77 1.01 -1.26 -5.05 121.20 120.71 3hx7 s ILE 82 Ca 0.67 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 3hx7 s ILE 82 Cb -0.32 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 3hx7 s ILE 82 CO 0.39 -0.40 1.28 -0.54 0.00 0.00 0.00 174.94 175.66 3hx7 s LYS 83 N 1.78 4.41 0.70 2.79 1.02 -1.26 -4.99 119.74 124.19 3hx7 s LYS 83 Ca 0.06 2.13 -0.16 0.00 0.02 0.00 0.00 55.97 58.02 3hx7 s LYS 83 Cb -0.20 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3hx7 s LYS 83 CO 0.10 -0.13 1.05 0.36 -0.92 0.00 0.00 175.35 175.81 3hx7 n LYS 84 N 1.17 0.65 -0.89 1.68 2.85 -1.26 -4.90 118.16 117.45 3hx7 n LYS 84 Ca 0.01 0.28 -0.33 0.00 -1.05 0.00 0.00 58.31 57.22 3hx7 n LYS 84 Cb 0.42 -2.30 0.13 0.00 -0.65 0.00 0.00 35.03 32.64 3hx7 n LYS 84 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hx7 n PRO 85 N -1.89 -0.15 0.00 -1.58 -0.02 -1.26 -4.87 135.00 125.22 3hx7 n PRO 85 Ca 0.14 0.02 0.06 0.00 -2.02 0.00 0.00 63.50 61.69 3hx7 n PRO 85 Cb 0.49 -2.20 0.27 0.00 -0.02 0.00 0.00 33.50 32.04 3hx7 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx7 n ALA 86 N -3.61 1.61 -2.69 3.55 0.00 -1.26 -4.80 120.51 113.31 3hx7 n ALA 86 Ca 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 3hx7 n ALA 86 Cb 0.52 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 3hx7 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx7 s GLU 87 N -2.76 1.11 -0.03 0.00 0.41 -1.26 -5.03 118.70 111.14 3hx7 s GLU 87 Ca 0.08 -1.15 0.06 0.00 -0.41 0.00 0.00 54.97 53.56 3hx7 s GLU 87 Cb 0.07 0.37 -0.09 0.00 -1.78 0.00 0.00 34.13 32.70 3hx7 s GLU 87 CO 0.19 -0.40 0.09 -0.25 -0.49 0.00 0.00 175.26 174.40 3hx7 n ASP 88 N -0.19 3.41 -3.92 -0.19 8.00 -1.26 -4.94 116.55 117.46 3hx7 n ASP 88 Ca -0.08 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.18 3hx7 n ASP 88 Cb 0.63 1.01 -0.17 0.00 -0.02 0.00 0.00 41.12 42.57 3hx7 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx7 s GLU 89 N -2.33 1.26 0.00 -1.24 2.02 -1.26 -5.01 118.70 112.14 3hx7 s GLU 89 Ca -0.03 -0.21 0.19 0.00 0.02 0.00 0.00 54.97 54.94 3hx7 s GLU 89 Cb 0.03 -1.24 0.52 0.00 0.10 0.00 0.00 34.13 33.54 3hx7 s GLU 89 CO 0.28 -0.13 1.44 0.91 0.02 0.00 0.00 175.26 177.77 3hx7 n TRP 90 N 4.38 0.62 -4.52 1.61 7.02 -1.26 -5.06 117.44 120.23 3hx7 n TRP 90 Ca -0.18 -0.31 0.00 0.00 -1.02 0.00 0.00 57.50 55.99 3hx7 n TRP 90 Cb 0.51 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 3hx7 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx7 n GLY 91 N 1.39 1.45 3.94 6.99 0.00 -1.26 -3.63 105.19 114.08 3hx7 n GLY 91 Ca 0.19 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 3hx7 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx7 s LYS 92 N 0.00 2.59 0.18 1.61 1.02 -1.26 -4.89 119.74 118.99 3hx7 s LYS 92 Ca 0.00 -0.35 -0.21 0.00 0.02 0.00 0.00 55.97 55.44 3hx7 s LYS 92 Cb 0.00 -2.33 0.11 0.00 -0.52 0.00 0.00 37.83 35.09 3hx7 s LYS 92 CO 0.00 -0.83 1.60 1.15 -0.92 0.00 0.00 175.35 176.35 3hx7 h THR 93 N -0.19 0.25 -0.30 2.17 2.02 -2.00 -0.39 112.91 114.48 3hx7 h THR 93 Ca -0.44 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.82 3hx7 h THR 93 Cb 1.29 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3hx7 h THR 93 CO 0.58 0.00 0.23 -0.65 0.37 0.00 0.00 175.52 176.04 3hx7 h PRO 94 N -0.18 0.00 -0.05 6.66 0.11 -1.95 -1.11 132.00 135.48 3hx7 h PRO 94 Ca 0.21 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 3hx7 h PRO 94 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3hx7 h PRO 94 CO -0.59 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 176.66 3hx7 h ASP 95 N 0.00 0.19 -0.63 -2.05 3.45 -1.36 -2.45 116.42 113.57 3hx7 h ASP 95 Ca 0.14 -0.57 0.01 0.00 0.43 0.00 0.00 57.03 57.05 3hx7 h ASP 95 Cb 0.59 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.27 3hx7 h ASP 95 CO -0.00 0.72 0.41 0.00 -1.57 0.00 0.00 179.24 178.80 3hx7 h ALA 96 N 0.47 0.81 -0.64 3.45 0.00 -0.85 -0.62 119.26 121.89 3hx7 h ALA 96 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3hx7 h ALA 96 Cb 0.69 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hx7 h ALA 96 CO 0.02 0.20 0.10 1.98 0.00 0.00 0.00 179.25 181.55 3hx7 h MET 97 N 0.82 1.04 -0.70 0.00 -1.53 -1.29 0.11 114.93 113.39 3hx7 h MET 97 Ca 0.24 -0.27 -0.03 0.00 -3.44 0.00 0.00 59.70 56.19 3hx7 h MET 97 Cb -0.06 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 30.84 3hx7 h MET 97 CO -0.07 0.96 0.30 0.87 0.14 0.00 0.00 176.91 179.12 3hx7 h LYS 98 N 0.98 1.03 -0.23 0.39 1.57 -0.86 0.53 116.57 119.97 3hx7 h LYS 98 Ca 0.20 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3hx7 h LYS 98 Cb 0.43 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3hx7 h LYS 98 CO 0.01 0.83 0.02 0.00 -0.57 0.00 0.00 179.45 179.75 3hx7 h ALA 99 N 1.14 0.31 -0.76 3.86 0.00 -0.82 -1.65 119.26 121.34 3hx7 h ALA 99 Ca 0.24 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hx7 h ALA 99 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hx7 h ALA 99 CO -0.02 0.01 0.50 0.00 0.00 0.00 0.00 179.25 179.73 3hx7 h ALA 100 N 0.83 0.97 -0.81 0.00 0.00 -0.73 -0.72 119.26 118.79 3hx7 h ALA 100 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hx7 h ALA 100 Cb 0.36 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hx7 h ALA 100 CO 0.01 0.35 0.46 1.98 0.00 0.00 0.00 179.25 182.04 3hx7 h MET 101 N 1.00 1.12 -0.14 0.00 -1.53 -0.73 -1.37 114.93 113.27 3hx7 h MET 101 Ca 0.28 -0.12 -0.08 0.00 -3.44 0.00 0.00 59.70 56.34 3hx7 h MET 101 Cb -0.08 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 30.73 3hx7 h MET 101 CO -0.07 0.82 -0.26 0.00 0.14 0.00 0.00 176.91 177.53 3hx7 h ALA 102 N 1.24 1.30 -0.25 0.39 0.00 -0.57 -2.03 119.26 119.35 3hx7 h ALA 102 Ca 0.29 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3hx7 h ALA 102 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hx7 h ALA 102 CO -0.05 0.48 -0.43 1.25 0.00 0.00 0.00 179.25 180.50 3hx7 h LEU 103 N 0.23 0.64 -0.12 0.00 5.85 -0.43 -2.42 115.31 119.06 3hx7 h LEU 103 Ca 0.04 -0.30 -0.24 0.00 0.84 0.00 0.00 57.88 58.22 3hx7 h LEU 103 Cb 0.59 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.45 3hx7 h LEU 103 CO 0.04 0.99 -0.90 -0.33 -0.34 0.00 0.00 178.44 177.90 3hx7 h GLU 104 N 0.49 0.69 -0.02 1.25 4.39 -1.01 -2.30 114.58 118.08 3hx7 h GLU 104 Ca 0.04 -0.65 -0.05 0.00 0.34 0.00 0.00 59.36 59.04 3hx7 h GLU 104 Cb 0.95 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 3hx7 h GLU 104 CO 0.08 1.25 -0.24 0.87 -1.16 0.00 0.00 179.01 179.81 3hx7 h LYS 105 N 0.43 0.03 -0.05 2.33 1.57 -1.37 0.15 116.57 119.67 3hx7 h LYS 105 Ca -0.08 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3hx7 h LYS 105 Cb 1.53 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.84 3hx7 h LYS 105 CO 0.18 0.27 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.07 3hx7 h LYS 106 N 0.03 0.11 -0.53 3.15 3.64 -1.36 -1.68 116.57 119.93 3hx7 h LYS 106 Ca 0.00 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3hx7 h LYS 106 Cb 0.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3hx7 h LYS 106 CO 0.03 0.55 0.10 -0.07 -2.27 0.00 0.00 179.45 177.79 3hx7 h LEU 107 N -0.33 0.77 -0.87 5.20 3.38 -1.07 -2.18 115.31 120.21 3hx7 h LEU 107 Ca 0.01 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3hx7 h LEU 107 Cb 0.53 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hx7 h LEU 107 CO 0.01 0.78 -0.06 -1.13 0.09 0.00 0.00 178.44 178.14 3hx7 h ASN 108 N 0.79 0.75 -0.55 -0.43 -1.24 -0.66 -0.95 115.58 113.30 3hx7 h ASN 108 Ca 0.17 -0.20 -0.11 0.00 0.71 0.00 0.00 56.30 56.87 3hx7 h ASN 108 Cb 0.34 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 3hx7 h ASN 108 CO 0.00 0.85 -0.06 -0.61 -1.29 0.00 0.00 177.43 176.33 3hx7 h GLN 109 N 0.71 1.02 -0.51 6.67 5.75 -0.83 0.84 115.11 128.77 3hx7 h GLN 109 Ca 0.13 -0.35 -0.06 0.00 -0.15 0.00 0.00 58.65 58.22 3hx7 h GLN 109 Cb 0.52 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 3hx7 h GLN 109 CO 0.03 1.04 0.08 0.00 -2.65 0.00 0.00 178.83 177.33 3hx7 h ALA 110 N 0.99 0.68 0.17 3.38 0.00 -1.14 0.26 119.26 123.60 3hx7 h ALA 110 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hx7 h ALA 110 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hx7 h ALA 110 CO 0.04 0.42 -0.09 -0.07 0.00 0.00 0.00 179.25 179.55 3hx7 h LEU 111 N 0.73 -0.21 -1.52 0.00 3.38 -0.87 0.22 115.31 117.03 3hx7 h LEU 111 Ca 0.16 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3hx7 h LEU 111 Cb 0.40 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hx7 h LEU 111 CO 0.01 -0.15 0.36 -0.07 0.09 0.00 0.00 178.44 178.68 3hx7 h LEU 112 N -0.24 0.53 -0.22 1.67 3.38 -0.61 -0.29 115.31 119.53 3hx7 h LEU 112 Ca -0.02 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 3hx7 h LEU 112 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hx7 h LEU 112 CO 0.03 0.37 -0.60 0.44 0.09 0.00 0.00 178.44 178.77 3hx7 h ASP 113 N 0.62 0.91 -0.39 -0.43 3.45 -0.33 -1.54 116.42 118.71 3hx7 h ASP 113 Ca 0.22 -0.57 -0.05 0.00 0.43 0.00 0.00 57.03 57.05 3hx7 h ASP 113 Cb 0.10 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 3hx7 h ASP 113 CO -0.06 1.32 0.07 0.25 -1.57 0.00 0.00 179.24 179.26 3hx7 h LEU 114 N 0.55 0.68 -1.08 1.55 5.85 0.12 -0.33 115.31 122.64 3hx7 h LEU 114 Ca -0.01 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 3hx7 h LEU 114 Cb 1.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3hx7 h LEU 114 CO 0.13 0.71 -0.46 -0.74 -0.34 0.00 0.00 178.44 177.74 3hx7 h HIS 115 N 0.70 0.01 -0.11 1.25 2.76 -0.93 0.20 115.15 119.02 3hx7 h HIS 115 Ca 0.15 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.13 3hx7 h HIS 115 Cb 0.33 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3hx7 h HIS 115 CO 0.02 0.46 -0.70 0.00 -1.30 0.00 0.00 177.93 176.41 3hx7 h ALA 116 N 1.54 0.56 -0.52 5.26 0.00 -0.36 -2.45 119.26 123.29 3hx7 h ALA 116 Ca -0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 3hx7 h ALA 116 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hx7 h ALA 116 CO 0.06 0.73 -0.14 1.25 0.00 0.00 0.00 179.25 181.15 3hx7 h LEU 117 N 0.36 1.00 -1.04 0.00 5.85 -0.56 -2.14 115.31 118.77 3hx7 h LEU 117 Ca -0.03 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3hx7 h LEU 117 Cb 1.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3hx7 h LEU 117 CO 0.13 1.13 0.18 1.23 -0.34 0.00 0.00 178.44 180.77 3hx7 h GLY 118 N 0.93 0.93 0.74 3.75 0.00 -0.86 -1.49 103.07 107.07 3hx7 h GLY 118 Ca 0.13 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3hx7 h GLY 118 CO 0.05 0.48 -0.02 1.76 0.00 0.00 0.00 176.54 178.81 3hx7 h SER 119 N 0.85 0.23 0.02 0.19 0.02 -1.23 -0.30 113.55 113.33 3hx7 h SER 119 Ca 0.19 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3hx7 h SER 119 Cb 0.24 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3hx7 h SER 119 CO -0.01 0.54 -0.01 0.00 -1.14 0.00 0.00 176.83 176.21 3hx7 h ALA 120 N 0.70 1.66 -0.50 3.77 0.00 -1.09 -0.60 119.26 123.20 3hx7 h ALA 120 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hx7 h ALA 120 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hx7 h ALA 120 CO 0.01 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.81 3hx7 n ARG 121 N -4.06 4.03 -4.08 0.00 5.12 -0.59 -4.98 116.66 112.10 3hx7 n ARG 121 Ca -0.03 -2.97 -0.41 0.00 -1.93 0.00 0.00 57.85 52.52 3hx7 n ARG 121 Cb 0.09 -2.02 -0.00 0.00 -1.16 0.00 0.00 32.46 29.37 3hx7 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx7 n THR 122 N 0.46 -2.10 -3.78 0.55 -2.24 -0.23 -4.92 114.28 102.01 3hx7 n THR 122 Ca 0.25 -0.52 -0.30 0.00 -2.27 0.00 0.00 64.05 61.21 3hx7 n THR 122 Cb 1.01 -1.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.33 3hx7 n THR 122 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hx7 n ASP 123 N -1.98 3.42 0.31 3.42 -0.08 -0.17 -4.95 116.55 116.53 3hx7 n ASP 123 Ca -0.14 -3.23 0.17 0.00 -1.51 0.00 0.00 54.79 50.09 3hx7 n ASP 123 Cb 0.53 -0.82 1.00 0.00 2.34 0.00 0.00 41.12 44.17 3hx7 n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hx7 h PRO 124 N 5.37 0.00 -0.45 -0.67 0.13 -1.92 -2.32 132.00 132.15 3hx7 h PRO 124 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.16 3hx7 h PRO 124 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3hx7 h PRO 124 CO 0.77 0.01 -0.22 1.25 -0.23 0.00 0.00 178.00 179.58 3hx7 h HIS 125 N 0.00 1.05 -0.04 1.56 2.76 -1.96 -1.67 115.15 116.84 3hx7 h HIS 125 Ca -0.00 -0.25 -0.01 0.00 -2.20 0.00 0.00 60.37 57.91 3hx7 h HIS 125 Cb 0.04 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 3hx7 h HIS 125 CO 0.00 1.04 -0.01 1.25 -1.30 0.00 0.00 177.93 178.91 3hx7 h LEU 126 N 0.79 0.09 -0.88 0.26 5.85 -1.82 -1.82 115.31 117.78 3hx7 h LEU 126 Ca 0.10 -0.39 0.14 0.00 0.84 0.00 0.00 57.88 58.57 3hx7 h LEU 126 Cb 0.78 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 3hx7 h LEU 126 CO 0.06 0.45 0.49 0.00 -0.34 0.00 0.00 178.44 179.11 3hx7 h ASP 128 N 0.73 0.00 -0.17 0.00 3.58 -1.28 -1.48 116.42 117.80 3hx7 h ASP 128 Ca 0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.91 3hx7 h ASP 128 Cb 0.59 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 3hx7 h ASP 128 CO -0.32 0.61 0.07 0.15 -2.88 0.00 0.00 179.24 176.87 3hx7 h PHE 129 N 0.00 0.25 -0.00 0.28 3.04 -0.20 -0.69 116.94 119.61 3hx7 h PHE 129 Ca -0.01 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 3hx7 h PHE 129 Cb 1.27 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 3hx7 h PHE 129 CO 0.00 0.30 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.52 3hx7 h LEU 130 N 0.12 0.01 -1.61 0.59 3.38 -1.26 -1.87 115.31 114.67 3hx7 h LEU 130 Ca 0.06 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.76 3hx7 h LEU 130 Cb 0.15 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3hx7 h LEU 130 CO -0.01 0.42 0.49 -0.33 0.09 0.00 0.00 178.44 179.10 3hx7 h GLU 131 N -0.40 0.38 0.08 1.13 5.08 -1.24 0.53 114.58 120.15 3hx7 h GLU 131 Ca 0.00 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 3hx7 h GLU 131 Cb 0.41 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hx7 h GLU 131 CO 0.00 0.25 -0.94 1.15 -1.00 0.00 0.00 179.01 178.47 3hx7 h THR 132 N 0.39 1.30 -0.15 1.13 2.02 -1.05 -3.38 112.91 113.17 3hx7 h THR 132 Ca 0.35 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 65.14 3hx7 h THR 132 Cb 0.82 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 3hx7 h THR 132 CO -0.11 0.63 0.00 1.41 0.37 0.00 0.00 175.52 177.82 3hx7 n HIS 133 N -4.19 0.19 0.11 3.16 8.25 -0.71 -4.86 115.22 117.17 3hx7 n HIS 133 Ca -0.20 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 3hx7 n HIS 133 Cb 0.76 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.86 3hx7 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx7 n PHE 134 N 0.55 -1.69 -0.34 4.41 3.72 0.06 -4.79 117.46 119.38 3hx7 n PHE 134 Ca 0.08 0.30 0.11 0.00 -0.05 0.00 0.00 57.45 57.89 3hx7 n PHE 134 Cb 0.33 0.39 0.31 0.00 -0.94 0.00 0.00 39.48 39.57 3hx7 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx7 h LEU 135 N 0.00 0.81 -0.07 4.37 3.38 -1.46 -1.61 115.31 120.73 3hx7 h LEU 135 Ca 0.00 0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 3hx7 h LEU 135 Cb 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hx7 h LEU 135 CO 0.00 0.35 -1.04 -0.78 0.09 0.00 0.00 178.44 177.07 3hx7 h ASP 136 N 0.83 0.62 -0.57 -0.43 -0.00 -1.82 -2.99 116.42 112.06 3hx7 h ASP 136 Ca 0.53 -0.53 -0.00 0.00 -0.00 0.00 0.00 57.03 57.04 3hx7 h ASP 136 Cb 0.75 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.33 39.86 3hx7 h ASP 136 CO -0.31 1.34 0.35 -0.33 -0.00 0.00 0.00 179.24 180.29 3hx7 h GLU 137 N 0.24 0.76 -0.02 0.28 4.39 -1.70 -2.24 114.58 116.29 3hx7 h GLU 137 Ca -0.11 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3hx7 h GLU 137 Cb 1.69 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.18 3hx7 h GLU 137 CO 0.18 0.54 0.01 0.93 -1.16 0.00 0.00 179.01 179.51 3hx7 h GLU 138 N 0.76 0.03 -0.85 2.33 4.39 -1.38 -1.68 114.58 118.19 3hx7 h GLU 138 Ca 0.20 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.99 3hx7 h GLU 138 Cb -0.04 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.54 3hx7 h GLU 138 CO -0.04 0.23 0.50 0.28 -1.16 0.00 0.00 179.01 178.81 3hx7 h VAL 139 N -0.17 0.93 -0.24 3.13 2.07 -1.43 -0.02 116.25 120.51 3hx7 h VAL 139 Ca 0.01 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3hx7 h VAL 139 Cb 0.21 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3hx7 h VAL 139 CO -0.00 0.15 0.08 0.11 0.02 0.00 0.00 177.57 177.93 3hx7 h LYS 140 N 0.84 0.38 -0.54 1.57 1.57 -1.26 -2.34 116.57 116.78 3hx7 h LYS 140 Ca 0.40 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3hx7 h LYS 140 Cb 0.34 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3hx7 h LYS 140 CO -0.24 0.45 0.10 1.25 -0.57 0.00 0.00 179.45 180.44 3hx7 h LEU 141 N 0.23 0.80 -1.03 2.94 5.85 -0.66 -0.70 115.31 122.73 3hx7 h LEU 141 Ca 0.08 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3hx7 h LEU 141 Cb 0.23 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3hx7 h LEU 141 CO -0.00 0.81 -0.45 0.40 -0.34 0.00 0.00 178.44 178.86 3hx7 h ILE 142 N 0.81 1.19 -0.16 4.05 2.04 -0.93 -0.44 117.51 124.07 3hx7 h ILE 142 Ca 0.17 -1.61 -0.22 0.00 1.00 0.00 0.00 64.86 64.21 3hx7 h ILE 142 Cb 0.35 1.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3hx7 h ILE 142 CO 0.00 0.44 -0.76 0.50 0.00 0.00 0.00 178.15 178.34 3hx7 h LYS 143 N 0.00 0.79 -0.61 2.37 1.63 -0.89 -1.10 116.57 118.76 3hx7 h LYS 143 Ca -0.00 -0.63 -0.02 0.00 -0.85 0.00 0.00 60.65 59.14 3hx7 h LYS 143 Cb 0.86 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 3hx7 h LYS 143 CO 0.06 1.24 0.28 -0.22 -3.45 0.00 0.00 179.45 177.36 3hx7 h LYS 144 N 0.54 0.88 -0.27 1.90 3.64 -0.74 -1.02 116.57 121.50 3hx7 h LYS 144 Ca -0.05 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.03 3hx7 h LYS 144 Cb 1.39 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3hx7 h LYS 144 CO 0.16 0.72 -0.50 0.52 -2.27 0.00 0.00 179.45 178.07 3hx7 h MET 145 N 0.83 0.74 0.00 1.90 2.86 -1.04 -2.00 114.93 118.23 3hx7 h MET 145 Ca 0.21 -0.44 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 3hx7 h MET 145 Cb 0.13 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3hx7 h MET 145 CO -0.02 1.07 -0.22 0.78 1.06 0.00 0.00 176.91 179.57 3hx7 h GLY 146 N 0.88 0.00 0.53 8.32 0.00 -0.93 -0.69 103.07 111.17 3hx7 h GLY 146 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3hx7 h GLY 146 CO 0.11 0.00 -0.08 -0.55 0.00 0.00 0.00 176.54 176.01 3hx7 h ASP 147 N 0.00 -0.19 -0.46 0.19 3.32 -0.90 -2.69 116.42 115.69 3hx7 h ASP 147 Ca -0.00 -0.32 0.09 0.00 0.02 0.00 0.00 57.03 56.82 3hx7 h ASP 147 Cb 0.45 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 3hx7 h ASP 147 CO 0.03 0.26 0.00 0.45 -1.72 0.00 0.00 179.24 178.26 3hx7 h HIS 148 N -0.71 -0.02 -0.64 4.55 3.86 -0.88 -1.08 115.15 120.23 3hx7 h HIS 148 Ca -0.02 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 3hx7 h HIS 148 Cb 0.50 0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.00 3hx7 h HIS 148 CO 0.06 -0.10 0.35 -0.07 0.86 0.00 0.00 177.93 179.03 3hx7 h LEU 149 N 0.12 0.51 -1.39 2.43 3.38 -1.19 0.44 115.31 119.60 3hx7 h LEU 149 Ca 0.23 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3hx7 h LEU 149 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3hx7 h LEU 149 CO -0.38 0.33 -0.18 0.74 0.09 0.00 0.00 178.44 179.04 3hx7 h THR 150 N 0.65 1.19 0.00 0.22 2.02 -0.96 -2.15 112.91 113.88 3hx7 h THR 150 Ca 0.29 -0.86 -0.20 0.00 0.77 0.00 0.00 66.41 66.41 3hx7 h THR 150 Cb 0.18 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3hx7 h THR 150 CO -0.18 0.26 -1.08 0.78 0.37 0.00 0.00 175.52 175.67 3hx7 h ASN 151 N 0.16 0.00 -0.10 4.18 2.35 0.05 -3.11 115.58 119.11 3hx7 h ASN 151 Ca 0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 3hx7 h ASN 151 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3hx7 h ASN 151 CO 0.03 0.87 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.32 3hx7 h LEU 152 N 0.00 0.43 -1.80 1.61 3.38 0.03 -2.98 115.31 115.98 3hx7 h LEU 152 Ca -0.08 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 3hx7 h LEU 152 Cb 1.73 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3hx7 h LEU 152 CO 0.10 0.94 0.08 -0.74 0.09 0.00 0.00 178.44 178.91 3hx7 h HIS 153 N -0.07 0.20 0.00 1.13 2.76 -1.51 -1.64 115.15 116.02 3hx7 h HIS 153 Ca -0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 3hx7 h HIS 153 Cb 0.90 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 3hx7 h HIS 153 CO 0.11 0.15 -0.41 -0.09 -1.30 0.00 0.00 177.93 176.39 3hx7 h ARG 154 N 0.21 0.00 -2.06 5.26 2.43 -1.48 -3.31 114.38 115.43 3hx7 h ARG 154 Ca 0.06 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3hx7 h ARG 154 Cb 0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3hx7 h ARG 154 CO -0.01 0.41 -0.20 1.28 -1.51 0.00 0.00 179.97 179.94 3hx7 n LEU 155 N -3.76 4.76 0.00 3.80 4.77 -0.62 -4.11 117.00 121.85 3hx7 n LEU 155 Ca -0.01 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 3hx7 n LEU 155 Cb 0.48 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 3hx7 n LEU 155 CO 0.38 1.29 0.00 0.61 -1.33 0.00 0.00 177.39 178.34 3hx7 n GLY 156 N 2.21 0.29 0.00 -0.72 0.00 -1.25 -5.07 105.19 100.65 3hx7 n GLY 156 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3hx7 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx7 n GLY 157 N 3.90 0.34 0.00 -0.02 0.00 -1.26 -5.23 105.19 102.93 3hx7 n GLY 157 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hx7 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77