#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s MET 1 N 0.00 4.38 0.42 5.56 -2.45 -1.26 -5.05 119.30 120.91 3hx7 s MET 1 Ca 0.00 1.20 -0.06 0.00 -1.25 0.00 0.00 55.69 55.59 3hx7 s MET 1 Cb 0.00 -3.54 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 3hx7 s MET 1 CO 0.00 -0.28 0.72 -1.54 1.05 0.00 0.00 175.02 174.98 3hx7 s SER 2 N 1.09 6.35 0.96 1.11 1.04 -1.26 -5.06 113.70 117.93 3hx7 s SER 2 Ca 0.44 0.90 -0.19 0.00 0.48 0.00 0.00 55.95 57.57 3hx7 s SER 2 Cb -0.18 -2.23 -0.16 0.00 0.10 0.00 0.00 66.02 63.56 3hx7 s SER 2 CO 0.16 -0.45 -0.95 -0.24 0.98 0.00 0.00 173.24 172.74 3hx7 n SER 3 N -1.80 -5.09 0.07 7.02 2.88 -1.26 -4.93 113.62 110.52 3hx7 n SER 3 Ca 0.00 0.13 0.12 0.00 -1.33 0.00 0.00 58.87 57.79 3hx7 n SER 3 Cb 0.55 -0.67 0.09 0.00 -0.75 0.00 0.00 64.21 63.43 3hx7 n SER 3 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3hx7 h GLN 4 N -0.96 0.00 0.00 -1.46 3.07 -1.97 -3.32 115.11 110.48 3hx7 h GLN 4 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.33 3hx7 h GLN 4 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 3hx7 h GLN 4 CO 0.22 0.00 -0.96 0.44 0.09 0.00 0.00 178.83 178.61 3hx7 n ILE 5 N -2.31 0.00 -1.68 1.86 -5.35 -1.26 -4.99 119.36 105.62 3hx7 n ILE 5 Ca 0.02 -0.09 -0.46 0.00 -0.27 0.00 0.00 62.75 61.95 3hx7 n ILE 5 Cb 0.48 0.92 -0.04 0.00 -1.74 0.00 0.00 39.64 39.26 3hx7 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx7 n ARG 6 N -1.50 2.30 -3.65 6.28 0.63 -1.25 -4.85 116.66 114.61 3hx7 n ARG 6 Ca 0.03 0.83 -0.05 0.00 -0.92 0.00 0.00 57.85 57.75 3hx7 n ARG 6 Cb 0.31 -2.65 -0.06 0.00 0.45 0.00 0.00 32.46 30.51 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 1.98 0.51 -1.46 -0.14 0.74 -1.26 -4.94 119.66 115.09 3hx7 s GLN 7 Ca 0.82 1.26 -0.10 0.00 0.05 0.00 0.00 55.36 57.40 3hx7 s GLN 7 Cb -0.64 0.56 0.05 0.00 1.10 0.00 0.00 33.01 34.08 3hx7 s GLN 7 CO 0.41 -0.20 0.87 -1.71 -0.55 0.00 0.00 175.29 174.10 3hx7 n ASN 8 N 5.19 -5.33 -3.90 6.67 5.15 -1.26 -4.96 115.26 116.82 3hx7 n ASN 8 Ca -0.13 -0.55 -0.30 0.00 -0.60 0.00 0.00 54.58 53.00 3hx7 n ASN 8 Cb 0.51 -4.27 -0.15 0.00 -0.53 0.00 0.00 39.78 35.35 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 -3.22 2.96 0.73 1.20 5.04 -1.26 -4.82 117.35 117.98 3hx7 s TYR 9 Ca 0.53 -2.69 -0.15 0.00 -2.44 0.00 0.00 57.07 52.32 3hx7 s TYR 9 Cb -0.25 -2.50 0.04 0.00 0.35 0.00 0.00 41.96 39.59 3hx7 s TYR 9 CO 0.65 -0.87 1.20 -1.54 -1.34 0.00 0.00 175.55 173.66 3hx7 s SER 10 N 0.73 4.18 0.51 4.32 1.04 -1.26 -4.91 113.70 118.31 3hx7 s SER 10 Ca 0.13 2.35 0.30 0.00 0.48 0.00 0.00 55.95 59.21 3hx7 s SER 10 Cb -0.21 -2.59 1.18 0.00 0.10 0.00 0.00 66.02 64.50 3hx7 s SER 10 CO -0.09 -2.28 1.92 0.71 0.98 0.00 0.00 173.24 174.48 3hx7 h THR 11 N -0.33 0.17 -0.32 2.02 1.35 -1.99 -2.57 112.91 111.24 3hx7 h THR 11 Ca -0.47 -0.72 -0.12 0.00 -0.55 0.00 0.00 66.41 64.55 3hx7 h THR 11 Cb 1.29 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 3hx7 h THR 11 CO 0.50 0.07 -0.27 0.44 -0.25 0.00 0.00 175.52 176.00 3hx7 h ASP 12 N 0.00 0.79 -0.13 5.36 3.32 -1.99 -1.97 116.42 121.79 3hx7 h ASP 12 Ca -0.00 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3hx7 h ASP 12 Cb 0.61 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hx7 h ASP 12 CO 0.01 1.08 -0.02 0.58 -1.72 0.00 0.00 179.24 179.17 3hx7 h VAL 13 N 0.51 1.27 -0.22 -1.35 2.07 -1.89 -1.75 116.25 114.89 3hx7 h VAL 13 Ca 0.06 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.74 3hx7 h VAL 13 Cb 0.83 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 3hx7 h VAL 13 CO 0.07 0.26 -0.23 -0.08 0.02 0.00 0.00 177.57 177.61 3hx7 h GLU 14 N -0.04 -0.24 -0.93 1.57 4.81 -1.43 0.52 114.58 118.85 3hx7 h GLU 14 Ca 0.04 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hx7 h GLU 14 Cb 0.41 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3hx7 h GLU 14 CO 0.01 -0.16 0.57 0.00 -0.73 0.00 0.00 179.01 178.70 3hx7 h ALA 15 N 0.80 1.26 -0.42 2.92 0.00 -1.36 -1.36 119.26 121.09 3hx7 h ALA 15 Ca 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3hx7 h ALA 15 Cb 0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hx7 h ALA 15 CO -0.36 0.65 -0.25 0.00 0.00 0.00 0.00 179.25 179.28 3hx7 h ALA 16 N 1.35 0.75 -0.56 0.00 0.00 -0.28 -1.38 119.26 119.14 3hx7 h ALA 16 Ca 0.33 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hx7 h ALA 16 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hx7 h ALA 16 CO -0.06 0.66 0.28 0.28 0.00 0.00 0.00 179.25 180.41 3hx7 h VAL 17 N 0.76 1.20 -0.33 0.00 2.07 0.53 0.47 116.25 120.94 3hx7 h VAL 17 Ca 0.09 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hx7 h VAL 17 Cb 0.81 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3hx7 h VAL 17 CO 0.07 0.22 0.21 0.78 0.02 0.00 0.00 177.57 178.87 3hx7 h ASN 18 N 0.75 0.38 -0.94 0.57 2.35 -1.09 -1.12 115.58 116.49 3hx7 h ASN 18 Ca 0.19 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3hx7 h ASN 18 Cb 0.09 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3hx7 h ASN 18 CO -0.03 0.29 0.60 -1.28 -1.65 0.00 0.00 177.43 175.37 3hx7 h SER 19 N 0.44 1.10 0.06 5.81 0.87 -0.83 -1.90 113.55 119.09 3hx7 h SER 19 Ca 0.12 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 3hx7 h SER 19 Cb -0.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3hx7 h SER 19 CO -0.03 0.81 -0.35 0.25 -0.53 0.00 0.00 176.83 176.99 3hx7 h LEU 20 N 1.28 0.42 -0.33 2.23 5.85 -0.53 -2.30 115.31 121.93 3hx7 h LEU 20 Ca 0.34 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3hx7 h LEU 20 Cb -0.12 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3hx7 h LEU 20 CO -0.07 0.74 0.17 0.58 -0.34 0.00 0.00 178.44 179.52 3hx7 h VAL 21 N 0.35 1.15 -0.74 1.05 2.07 -0.46 -0.04 116.25 119.63 3hx7 h VAL 21 Ca 0.04 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3hx7 h VAL 21 Cb 0.78 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3hx7 h VAL 21 CO 0.06 0.16 0.49 -1.13 0.02 0.00 0.00 177.57 177.17 3hx7 h ASN 22 N 0.41 0.84 -0.64 0.57 -0.73 -1.22 0.37 115.58 115.17 3hx7 h ASN 22 Ca 0.12 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 3hx7 h ASN 22 Cb 0.10 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 3hx7 h ASN 22 CO -0.02 0.60 0.29 0.25 -0.37 0.00 0.00 177.43 178.19 3hx7 h LEU 23 N 0.99 0.85 -0.54 0.34 5.85 -0.71 0.49 115.31 122.58 3hx7 h LEU 23 Ca 0.28 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 3hx7 h LEU 23 Cb -0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3hx7 h LEU 23 CO -0.06 0.76 -0.65 1.88 -0.34 0.00 0.00 178.44 180.03 3hx7 h TYR 24 N 0.89 0.43 -0.02 1.25 -1.99 -0.55 -1.08 116.97 115.91 3hx7 h TYR 24 Ca 0.22 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 3hx7 h TYR 24 Cb 0.14 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.80 3hx7 h TYR 24 CO 0.01 0.88 0.01 -0.07 -0.00 0.00 0.00 178.16 178.99 3hx7 h LEU 25 N 0.24 0.03 -1.17 3.88 3.38 -0.47 0.16 115.31 121.35 3hx7 h LEU 25 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 25 Cb 1.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3hx7 h LEU 25 CO 0.11 0.07 0.38 -0.61 0.09 0.00 0.00 178.44 178.48 3hx7 h GLN 26 N -0.03 0.95 0.32 1.13 4.15 -0.86 -0.65 115.11 120.12 3hx7 h GLN 26 Ca 0.01 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 3hx7 h GLN 26 Cb 0.05 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.55 3hx7 h GLN 26 CO -0.00 0.70 -0.15 0.00 -1.93 0.00 0.00 178.83 177.44 3hx7 h ALA 27 N 1.46 -0.43 -0.64 3.38 0.00 -0.57 -1.71 119.26 120.75 3hx7 h ALA 27 Ca 0.25 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3hx7 h ALA 27 Cb 0.02 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3hx7 h ALA 27 CO -0.04 -0.71 0.18 1.03 0.00 0.00 0.00 179.25 179.71 3hx7 h SER 28 N -0.49 0.10 -0.19 0.00 0.87 -0.10 -0.87 113.55 112.87 3hx7 h SER 28 Ca -0.04 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3hx7 h SER 28 Cb 0.37 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3hx7 h SER 28 CO 0.07 0.05 -0.04 0.22 -0.53 0.00 0.00 176.83 176.60 3hx7 h TYR 29 N 0.32 -0.08 -0.28 2.24 5.03 -0.91 -1.50 116.97 121.79 3hx7 h TYR 29 Ca 0.34 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.72 3hx7 h TYR 29 Cb 0.50 0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.79 3hx7 h TYR 29 CO -0.22 -0.07 -0.04 1.15 -1.32 0.00 0.00 178.16 177.66 3hx7 h THR 30 N 0.01 0.76 -0.88 1.81 2.02 -0.25 -1.12 112.91 115.26 3hx7 h THR 30 Ca 0.09 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3hx7 h THR 30 Cb 0.13 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 3hx7 h THR 30 CO -0.18 0.01 0.58 1.88 0.37 0.00 0.00 175.52 178.17 3hx7 h TYR 31 N 0.04 1.06 0.09 3.16 0.05 -0.96 0.22 116.97 120.63 3hx7 h TYR 31 Ca 0.13 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.96 3hx7 h TYR 31 Cb 0.19 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 3hx7 h TYR 31 CO -0.24 0.62 -0.21 1.25 -1.05 0.00 0.00 178.16 178.52 3hx7 h LEU 32 N 1.10 -0.60 -0.23 3.88 5.85 -0.18 0.29 115.31 125.42 3hx7 h LEU 32 Ca 0.35 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.18 3hx7 h LEU 32 Cb 0.01 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3hx7 h LEU 32 CO -0.10 -0.29 -0.01 -1.28 -0.34 0.00 0.00 178.44 176.41 3hx7 h SER 33 N -0.39 -0.11 -0.57 1.25 0.87 -0.61 -1.38 113.55 112.61 3hx7 h SER 33 Ca 0.03 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3hx7 h SER 33 Cb 0.42 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 3hx7 h SER 33 CO -0.13 -0.03 0.25 -0.07 -0.53 0.00 0.00 176.83 176.32 3hx7 h LEU 34 N 0.06 0.31 -0.15 2.23 3.38 -0.57 -0.39 115.31 120.18 3hx7 h LEU 34 Ca 0.11 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3hx7 h LEU 34 Cb 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hx7 h LEU 34 CO -0.20 0.20 0.01 1.23 0.09 0.00 0.00 178.44 179.77 3hx7 h GLY 35 N 0.46 0.15 2.00 0.83 0.00 0.24 -2.34 103.07 104.41 3hx7 h GLY 35 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3hx7 h GLY 35 CO -0.23 -0.02 0.00 0.74 0.00 0.00 0.00 176.54 177.03 3hx7 h PHE 36 N 0.06 0.00 -0.18 5.60 -1.00 -0.88 -2.89 116.94 117.66 3hx7 h PHE 36 Ca 0.07 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 3hx7 h PHE 36 Cb 0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 3hx7 h PHE 36 CO -0.15 0.00 0.06 -0.92 -1.61 0.00 0.00 178.31 175.69 3hx7 h TYR 37 N 0.00 0.28 0.00 -0.55 3.20 -0.54 -2.08 116.97 117.29 3hx7 h TYR 37 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3hx7 h TYR 37 Cb 0.67 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3hx7 h TYR 37 CO 0.00 0.37 0.00 1.19 -1.64 0.00 0.00 178.16 178.08 3hx7 n PHE 38 N -4.82 0.77 0.33 -3.82 3.72 -1.06 -2.21 117.46 110.37 3hx7 n PHE 38 Ca -0.04 0.27 0.13 0.00 -0.05 0.00 0.00 57.45 57.76 3hx7 n PHE 38 Cb 0.14 -0.94 0.29 0.00 -0.94 0.00 0.00 39.48 38.03 3hx7 n PHE 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3hx7 h ASP 39 N 0.00 0.00 -2.98 4.37 -0.00 -1.18 -2.05 116.42 114.58 3hx7 h ASP 39 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.03 56.44 3hx7 h ASP 39 Cb 0.47 0.00 0.15 0.00 -0.00 0.00 0.00 39.33 39.95 3hx7 h ASP 39 CO 0.00 0.00 -0.05 0.54 -0.00 0.00 0.00 179.24 179.73 3hx7 n ARG 40 N -2.86 0.98 0.26 0.28 1.74 -0.94 -4.68 116.66 111.44 3hx7 n ARG 40 Ca 0.04 0.36 0.12 0.00 -0.77 0.00 0.00 57.85 57.60 3hx7 n ARG 40 Cb 0.47 -1.90 0.69 0.00 -1.02 0.00 0.00 32.46 30.70 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 1.01 0.00 -0.55 0.55 2.03 -1.90 0.82 116.42 118.38 3hx7 h ASP 41 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3hx7 h ASP 41 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 3hx7 h ASP 41 CO 0.53 0.13 0.00 -0.90 -1.03 0.00 0.00 179.24 177.98 3hx7 n ASP 42 N -3.61 3.67 0.00 4.15 3.85 -1.26 -4.14 116.55 119.21 3hx7 n ASP 42 Ca -0.02 -2.24 0.00 0.00 -0.71 0.00 0.00 54.79 51.83 3hx7 n ASP 42 Cb 0.26 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 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 1.00 0.00 -3.98 2.12 0.31 -0.99 -5.09 118.33 111.70 3hx7 n VAL 43 Ca 0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.14 3hx7 n VAL 43 Cb 0.66 -0.88 0.02 0.00 -0.91 0.00 0.00 33.84 32.73 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 -2.61 -2.67 -3.64 3.52 0.00 0.25 -4.97 120.51 110.38 3hx7 n ALA 44 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 3hx7 n ALA 44 Cb 0.37 -2.10 -0.12 0.00 0.00 0.00 0.00 19.45 17.60 3hx7 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx7 s LEU 45 N -6.70 2.56 0.14 0.00 1.43 -0.78 -5.00 118.68 110.35 3hx7 s LEU 45 Ca 0.35 -2.89 -0.24 0.00 -1.03 0.00 0.00 54.13 50.32 3hx7 s LEU 45 Cb -0.19 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.11 3hx7 s LEU 45 CO 0.95 -0.22 1.62 -0.08 0.23 0.00 0.00 176.35 178.85 3hx7 h GLU 46 N 6.29 -0.30 -0.54 1.70 4.81 -1.94 -1.35 114.58 123.25 3hx7 h GLU 46 Ca 0.09 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 3hx7 h GLU 46 Cb 0.90 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.26 3hx7 h GLU 46 CO 0.47 -0.20 0.02 0.78 -0.73 0.00 0.00 179.01 179.35 3hx7 h GLY 47 N -0.32 0.58 0.98 1.92 0.00 -1.96 0.42 103.07 104.69 3hx7 h GLY 47 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3hx7 h GLY 47 CO -0.37 -0.14 0.24 -2.08 0.00 0.00 0.00 176.54 174.18 3hx7 h VAL 48 N 0.14 1.20 0.20 4.60 2.07 -1.89 0.16 116.25 122.72 3hx7 h VAL 48 Ca 0.27 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3hx7 h VAL 48 Cb 0.42 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3hx7 h VAL 48 CO -0.43 0.23 -0.11 -1.28 0.02 0.00 0.00 177.57 176.00 3hx7 h SER 49 N 0.70 -0.28 -0.83 0.57 0.87 -0.06 -1.35 113.55 113.16 3hx7 h SER 49 Ca 0.18 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 3hx7 h SER 49 Cb 0.15 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 3hx7 h SER 49 CO -0.02 -0.19 0.55 -0.74 -0.53 0.00 0.00 176.83 175.90 3hx7 h HIS 50 N -0.30 0.95 -0.16 2.24 6.17 -0.07 -0.60 115.15 123.38 3hx7 h HIS 50 Ca -0.02 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.10 3hx7 h HIS 50 Cb 0.24 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 29.85 3hx7 h HIS 50 CO -0.08 0.51 0.06 0.35 0.71 0.00 0.00 177.93 179.48 3hx7 h PHE 51 N 0.94 0.12 -0.01 5.26 3.57 -0.27 -1.25 116.94 125.31 3hx7 h PHE 51 Ca 0.35 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.72 3hx7 h PHE 51 Cb 0.18 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3hx7 h PHE 51 CO -0.00 0.06 -0.64 0.74 -2.23 0.00 0.00 178.31 176.24 3hx7 h PHE 52 N 0.15 0.03 -0.43 0.41 0.05 -0.64 -2.90 116.94 113.61 3hx7 h PHE 52 Ca 0.06 -0.01 -0.10 0.00 3.82 0.00 0.00 57.97 61.74 3hx7 h PHE 52 Cb 0.03 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.95 3hx7 h PHE 52 CO -0.10 0.66 -0.15 0.00 -0.18 0.00 0.00 178.31 178.54 3hx7 h ARG 53 N 0.02 0.79 -0.11 1.51 3.08 -0.82 0.11 114.38 118.95 3hx7 h ARG 53 Ca -0.01 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 3hx7 h ARG 53 Cb 1.14 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3hx7 h ARG 53 CO 0.09 0.89 -0.27 0.93 -1.07 0.00 0.00 179.97 180.54 3hx7 h GLU 54 N 0.71 0.21 -0.01 0.04 5.08 -1.17 -1.26 114.58 118.17 3hx7 h GLU 54 Ca 0.11 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 3hx7 h GLU 54 Cb 0.64 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hx7 h GLU 54 CO 0.04 0.47 -0.88 -0.07 -1.00 0.00 0.00 179.01 177.58 3hx7 h LEU 55 N 0.19 0.40 -1.23 1.33 3.38 -1.16 -0.07 115.31 118.14 3hx7 h LEU 55 Ca 0.03 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3hx7 h LEU 55 Cb 0.59 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hx7 h LEU 55 CO 0.04 1.10 0.01 0.00 0.09 0.00 0.00 178.44 179.68 3hx7 h ALA 56 N 0.88 1.37 0.00 1.53 0.00 -0.23 -0.79 119.26 122.01 3hx7 h ALA 56 Ca -0.06 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3hx7 h ALA 56 Cb 1.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3hx7 h ALA 56 CO 0.14 0.44 -0.80 1.49 0.00 0.00 0.00 179.25 180.52 3hx7 h GLU 57 N 0.52 0.00 -0.42 0.00 4.57 -1.03 -2.83 114.58 115.38 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 0.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3hx7 h GLU 57 CO 0.01 0.80 -0.20 0.93 -1.18 0.00 0.00 179.01 179.37 3hx7 h GLU 58 N 0.00 0.88 -0.24 1.92 5.08 -0.06 -2.26 114.58 119.90 3hx7 h GLU 58 Ca -0.01 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.86 3hx7 h GLU 58 Cb 1.49 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 3hx7 h GLU 58 CO 0.10 1.03 -0.33 0.87 -1.00 0.00 0.00 179.01 179.68 3hx7 h LYS 59 N 0.70 0.51 -0.18 2.33 1.79 -1.20 -2.39 116.57 118.14 3hx7 h LYS 59 Ca 0.09 -0.23 0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3hx7 h LYS 59 Cb 0.76 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 3hx7 h LYS 59 CO 0.06 0.78 0.11 -0.09 -1.08 0.00 0.00 179.45 179.22 3hx7 h ARG 60 N 0.44 0.21 0.00 3.15 2.43 -1.33 0.81 114.38 120.09 3hx7 h ARG 60 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hx7 h ARG 60 Cb 0.79 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3hx7 h ARG 60 CO 0.06 0.14 0.00 0.93 -1.51 0.00 0.00 179.97 179.59 3hx7 h GLU 61 N 0.22 0.00 0.16 0.20 5.08 -1.24 -2.43 114.58 116.57 3hx7 h GLU 61 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hx7 h GLU 61 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hx7 h GLU 61 CO -0.03 0.00 -0.08 0.78 -1.00 0.00 0.00 179.01 178.68 3hx7 h GLY 62 N 1.20 -0.23 2.00 -3.84 0.00 -0.36 -2.44 103.07 99.40 3hx7 h GLY 62 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3hx7 h GLY 62 CO 0.00 -0.08 -0.18 0.10 0.00 0.00 0.00 176.54 176.38 3hx7 h TYR 63 N -0.90 0.00 -0.33 5.60 -0.00 -1.06 -2.13 116.97 118.15 3hx7 h TYR 63 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.58 3hx7 h TYR 63 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 3hx7 h TYR 63 CO 0.08 0.18 -0.33 0.93 -0.00 0.00 0.00 178.16 179.03 3hx7 h GLU 64 N 0.00 0.72 -0.08 0.10 5.08 -1.49 -0.38 114.58 118.53 3hx7 h GLU 64 Ca -0.00 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 3hx7 h GLU 64 Cb 0.36 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3hx7 h GLU 64 CO 0.02 0.94 -0.48 -0.09 -1.00 0.00 0.00 179.01 178.41 3hx7 h ARG 65 N 0.61 0.20 -0.03 2.33 2.43 -0.89 -1.29 114.38 117.74 3hx7 h ARG 65 Ca 0.07 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hx7 h ARG 65 Cb 0.85 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3hx7 h ARG 65 CO 0.07 0.64 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.09 3hx7 h LEU 66 N 0.16 0.06 -0.75 3.80 3.38 -1.03 -1.13 115.31 119.80 3hx7 h LEU 66 Ca 0.01 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3hx7 h LEU 66 Cb 0.90 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3hx7 h LEU 66 CO 0.07 0.46 0.35 -0.07 0.09 0.00 0.00 178.44 179.35 3hx7 h LEU 67 N -0.34 0.98 -0.91 1.67 3.38 -1.03 0.58 115.31 119.65 3hx7 h LEU 67 Ca 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3hx7 h LEU 67 Cb 0.44 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3hx7 h LEU 67 CO 0.00 0.85 0.47 0.50 0.09 0.00 0.00 178.44 180.35 3hx7 h LYS 68 N 1.05 1.24 -0.31 1.13 3.64 -1.22 -1.81 116.57 120.30 3hx7 h LYS 68 Ca 0.26 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 3hx7 h LYS 68 Cb 0.13 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3hx7 h LYS 68 CO -0.03 0.92 -0.36 1.98 -2.27 0.00 0.00 179.45 179.69 3hx7 h MET 69 N 1.24 0.79 -0.56 1.90 4.05 -0.36 -2.32 114.93 119.67 3hx7 h MET 69 Ca 0.31 -0.44 0.08 0.00 -0.28 0.00 0.00 59.70 59.38 3hx7 h MET 69 Cb 0.05 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 30.81 3hx7 h MET 69 CO -0.05 1.07 0.20 0.37 0.23 0.00 0.00 176.91 178.73 3hx7 h GLN 70 N 0.56 0.37 -0.52 0.39 5.75 0.67 -1.98 115.11 120.35 3hx7 h GLN 70 Ca 0.04 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 3hx7 h GLN 70 Cb 0.95 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 3hx7 h GLN 70 CO 0.09 0.24 -0.16 -0.91 -2.65 0.00 0.00 178.83 175.44 3hx7 h ASN 71 N 0.38 1.03 -0.02 -0.69 2.35 -1.28 -0.86 115.58 116.49 3hx7 h ASN 71 Ca 0.28 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3hx7 h ASN 71 Cb 0.33 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3hx7 h ASN 71 CO -0.29 1.17 0.05 1.56 -1.65 0.00 0.00 177.43 178.27 3hx7 h GLN 72 N 0.89 0.00 0.00 0.81 4.20 -0.79 -1.40 115.11 118.82 3hx7 h GLN 72 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3hx7 h GLN 72 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3hx7 h GLN 72 CO 0.06 0.00 -1.26 0.54 -0.67 0.00 0.00 178.83 177.50 3hx7 n ARG 73 N -3.31 0.24 0.00 1.46 5.12 -0.93 -4.96 116.66 114.29 3hx7 n ARG 73 Ca -0.03 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3hx7 n ARG 73 Cb 0.12 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 1.40 0.72 3.88 -0.13 0.00 -0.53 -3.92 105.19 106.62 3hx7 n GLY 74 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.44 1.62 -0.09 -0.02 0.00 -0.36 -4.43 107.32 102.61 3hx7 s GLY 75 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3hx7 s GLY 75 CO 0.00 0.01 -0.17 0.50 0.00 0.00 0.00 173.10 173.44 3hx7 s ARG 76 N -5.18 2.97 0.47 2.90 1.81 -1.26 -4.10 118.95 116.55 3hx7 s ARG 76 Ca 0.55 -0.75 -0.23 0.00 -1.72 0.00 0.00 55.73 53.58 3hx7 s ARG 76 Cb -0.11 -2.45 -0.07 0.00 -0.45 0.00 0.00 34.95 31.87 3hx7 s ARG 76 CO 0.51 0.35 1.22 0.00 -0.68 0.00 0.00 175.30 176.70 3hx7 s ALA 77 N -0.03 2.98 -0.18 2.13 0.00 -1.26 -4.99 121.76 120.40 3hx7 s ALA 77 Ca -0.04 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 3hx7 s ALA 77 Cb -0.14 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.63 3hx7 s ALA 77 CO 0.04 -0.80 0.18 -0.51 0.00 0.00 0.00 175.76 174.67 3hx7 s LEU 78 N -3.03 0.00 0.40 0.00 1.43 -1.26 -5.15 118.68 111.07 3hx7 s LEU 78 Ca 0.64 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3hx7 s LEU 78 Cb -0.32 0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.10 3hx7 s LEU 78 CO 0.39 -0.32 0.63 -0.36 0.23 0.00 0.00 176.35 176.92 3hx7 s PHE 79 N 2.28 3.44 0.17 0.29 0.08 -1.26 -4.86 117.98 118.12 3hx7 s PHE 79 Ca 0.05 0.42 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 3hx7 s PHE 79 Cb -0.15 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 3hx7 s PHE 79 CO -0.11 -0.09 0.16 -0.65 -0.10 0.00 0.00 175.22 174.43 3hx7 s GLN 80 N -4.47 1.12 0.35 0.44 -1.52 -1.26 -5.13 119.66 109.19 3hx7 s GLN 80 Ca 0.44 -1.45 -0.28 0.00 -1.95 0.00 0.00 55.36 52.11 3hx7 s GLN 80 Cb -0.10 0.29 -0.12 0.00 -0.22 0.00 0.00 33.01 32.86 3hx7 s GLN 80 CO 0.38 -0.37 1.32 -0.25 -0.25 0.00 0.00 175.29 176.13 3hx7 n ASP 81 N -0.20 2.93 -4.48 5.90 10.43 -1.26 -4.93 116.55 124.94 3hx7 n ASP 81 Ca -0.03 1.21 -0.43 0.00 2.57 0.00 0.00 54.79 58.11 3hx7 n ASP 81 Cb 0.64 -1.51 -0.08 0.00 1.84 0.00 0.00 41.12 42.02 3hx7 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx7 s ILE 82 N -1.09 5.02 0.40 0.53 1.01 -1.26 -5.04 121.20 120.77 3hx7 s ILE 82 Ca 0.55 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.58 3hx7 s ILE 82 Cb -0.55 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 37.70 3hx7 s ILE 82 CO 0.62 -0.53 1.43 -0.75 0.00 0.00 0.00 174.94 175.72 3hx7 s LYS 83 N 2.30 3.96 0.65 2.79 2.20 -1.26 -4.98 119.74 125.39 3hx7 s LYS 83 Ca 0.14 2.45 -0.13 0.00 -0.36 0.00 0.00 55.97 58.06 3hx7 s LYS 83 Cb -0.17 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 3hx7 s LYS 83 CO 0.14 -0.60 1.06 -1.59 -0.36 0.00 0.00 175.35 173.99 3hx7 s LYS 84 N -2.21 3.09 0.71 4.03 -2.85 -1.26 -4.86 119.74 116.39 3hx7 s LYS 84 Ca 0.56 1.11 -0.16 0.00 -1.00 0.00 0.00 55.97 56.48 3hx7 s LYS 84 Cb -0.44 -2.00 -0.05 0.00 -2.06 0.00 0.00 37.83 33.27 3hx7 s LYS 84 CO 0.59 -0.99 0.44 -2.30 0.10 0.00 0.00 175.35 173.19 3hx7 n PRO 85 N -2.56 0.28 0.23 1.78 -0.02 -1.26 -4.88 135.00 128.58 3hx7 n PRO 85 Ca 0.08 0.13 0.15 0.00 -2.02 0.00 0.00 63.50 61.85 3hx7 n PRO 85 Cb 0.53 -1.74 0.61 0.00 -0.02 0.00 0.00 33.50 32.88 3hx7 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx7 h ALA 86 N -0.33 1.00 -2.85 3.55 0.00 -1.98 -3.45 119.26 115.20 3hx7 h ALA 86 Ca -0.45 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 3hx7 h ALA 86 Cb 1.36 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.96 3hx7 h ALA 86 CO 0.42 0.00 -0.73 -1.21 0.00 0.00 0.00 179.25 177.73 3hx7 s GLU 87 N -3.54 0.73 -0.13 0.00 0.41 -1.26 -5.02 118.70 109.89 3hx7 s GLU 87 Ca 0.02 -1.04 0.19 0.00 -0.41 0.00 0.00 54.97 53.73 3hx7 s GLU 87 Cb 0.09 -0.42 -0.26 0.00 -1.78 0.00 0.00 34.13 31.76 3hx7 s GLU 87 CO 0.50 0.06 0.25 -0.25 -0.49 0.00 0.00 175.26 175.33 3hx7 n ASP 88 N 0.82 0.10 -3.99 -0.19 8.00 -1.26 -4.90 116.55 115.13 3hx7 n ASP 88 Ca -0.18 0.05 -0.20 0.00 0.71 0.00 0.00 54.79 55.16 3hx7 n ASP 88 Cb 0.57 1.13 -0.15 0.00 -0.02 0.00 0.00 41.12 42.65 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 -2.77 0.95 -0.23 -1.24 2.02 -1.26 -4.99 118.70 111.17 3hx7 s GLU 89 Ca -0.09 -0.29 0.14 0.00 0.02 0.00 0.00 54.97 54.75 3hx7 s GLU 89 Cb 0.08 -0.89 0.68 0.00 0.10 0.00 0.00 34.13 34.11 3hx7 s GLU 89 CO 0.85 0.10 1.62 0.91 0.02 0.00 0.00 175.26 178.76 3hx7 n TRP 90 N 3.33 1.65 -4.53 1.61 7.02 -1.26 -5.08 117.44 120.18 3hx7 n TRP 90 Ca -0.18 -0.91 0.00 0.00 -1.02 0.00 0.00 57.50 55.38 3hx7 n TRP 90 Cb 0.54 -0.47 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 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 -0.05 2.97 3.97 6.99 0.00 -1.26 -3.65 105.19 114.16 3hx7 n GLY 91 Ca 0.28 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 2.54 0.23 1.61 1.02 -1.26 -4.90 119.74 118.98 3hx7 s LYS 92 Ca 0.00 -0.79 -0.10 0.00 0.02 0.00 0.00 55.97 55.10 3hx7 s LYS 92 Cb 0.00 -2.49 0.34 0.00 -0.52 0.00 0.00 37.83 35.16 3hx7 s LYS 92 CO 0.00 -0.71 1.63 1.15 -0.92 0.00 0.00 175.35 176.51 3hx7 h THR 93 N 0.08 0.36 -0.45 2.17 2.02 -2.00 -1.75 112.91 113.34 3hx7 h THR 93 Ca -0.42 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 66.77 3hx7 h THR 93 Cb 1.30 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3hx7 h THR 93 CO 0.52 0.01 0.24 -0.65 0.37 0.00 0.00 175.52 176.01 3hx7 h PRO 94 N 0.06 0.47 -0.72 6.66 0.11 -1.94 -0.18 132.00 136.45 3hx7 h PRO 94 Ca 0.36 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.50 3hx7 h PRO 94 Cb 0.60 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.54 3hx7 h PRO 94 CO -0.65 0.31 0.42 -0.44 -0.21 0.00 0.00 178.00 177.42 3hx7 h ASP 95 N 0.48 0.63 0.40 -2.05 5.19 -1.62 -0.53 116.42 118.92 3hx7 h ASP 95 Ca 0.19 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 3hx7 h ASP 95 Cb 0.06 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.48 3hx7 h ASP 95 CO -0.11 0.40 -0.19 0.00 -3.12 0.00 0.00 179.24 176.21 3hx7 h ALA 96 N 1.37 -0.54 0.00 3.45 0.00 -0.80 -1.44 119.26 121.29 3hx7 h ALA 96 Ca 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hx7 h ALA 96 Cb 0.19 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hx7 h ALA 96 CO -0.18 -0.77 -0.06 1.98 0.00 0.00 0.00 179.25 180.22 3hx7 h MET 97 N -0.62 0.00 0.08 0.00 -1.53 -0.79 -0.46 114.93 111.60 3hx7 h MET 97 Ca -0.06 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.20 3hx7 h MET 97 Cb 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.51 3hx7 h MET 97 CO 0.09 0.06 -0.04 0.87 0.14 0.00 0.00 176.91 178.04 3hx7 h LYS 98 N 0.00 -0.10 -0.94 0.39 1.57 -0.80 -0.56 116.57 116.13 3hx7 h LYS 98 Ca -0.00 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 3hx7 h LYS 98 Cb 0.15 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 3hx7 h LYS 98 CO 0.01 0.35 0.60 0.00 -0.57 0.00 0.00 179.45 179.84 3hx7 h ALA 99 N 0.27 1.65 0.41 3.86 0.00 -0.57 0.71 119.26 125.59 3hx7 h ALA 99 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hx7 h ALA 99 Cb 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hx7 h ALA 99 CO 0.02 0.12 -0.20 0.00 0.00 0.00 0.00 179.25 179.19 3hx7 h ALA 100 N 1.56 -0.55 -0.67 0.00 0.00 -0.99 -0.74 119.26 117.87 3hx7 h ALA 100 Ca 0.46 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.34 3hx7 h ALA 100 Cb 0.54 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 3hx7 h ALA 100 CO -0.22 -0.73 0.19 1.98 0.00 0.00 0.00 179.25 180.47 3hx7 h MET 101 N -0.71 0.32 -0.65 0.00 -1.53 0.04 -0.14 114.93 112.26 3hx7 h MET 101 Ca -0.06 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.15 3hx7 h MET 101 Cb 0.50 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.45 3hx7 h MET 101 CO 0.09 0.21 0.29 0.00 0.14 0.00 0.00 176.91 177.64 3hx7 h ALA 102 N 1.52 0.85 -0.09 0.39 0.00 -0.80 -1.94 119.26 119.18 3hx7 h ALA 102 Ca 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hx7 h ALA 102 Cb 0.55 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hx7 h ALA 102 CO -0.42 0.44 0.04 1.25 0.00 0.00 0.00 179.25 180.57 3hx7 h LEU 103 N 0.92 0.12 -1.40 0.00 5.85 0.36 -2.07 115.31 119.09 3hx7 h LEU 103 Ca 0.22 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3hx7 h LEU 103 Cb 0.17 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hx7 h LEU 103 CO -0.02 0.23 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.93 3hx7 h GLU 104 N 0.01 0.34 -0.41 1.25 4.39 -0.99 -1.51 114.58 117.67 3hx7 h GLU 104 Ca 0.03 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 3hx7 h GLU 104 Cb 0.14 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3hx7 h GLU 104 CO -0.00 0.41 -0.21 0.87 -1.16 0.00 0.00 179.01 178.91 3hx7 h LYS 105 N 0.33 0.81 -0.54 2.33 1.57 -1.13 0.13 116.57 120.07 3hx7 h LYS 105 Ca 0.07 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 3hx7 h LYS 105 Cb 0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3hx7 h LYS 105 CO 0.01 0.95 0.12 -0.22 -0.57 0.00 0.00 179.45 179.74 3hx7 h LYS 106 N 0.71 0.87 0.15 3.15 3.64 -0.73 0.17 116.57 124.53 3hx7 h LYS 106 Ca 0.10 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3hx7 h LYS 106 Cb 0.73 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3hx7 h LYS 106 CO 0.06 0.83 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.92 3hx7 h LEU 107 N 0.76 -0.17 -0.79 5.20 3.38 -1.00 -1.76 115.31 120.93 3hx7 h LEU 107 Ca 0.17 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3hx7 h LEU 107 Cb 0.36 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3hx7 h LEU 107 CO 0.00 -0.04 0.44 -1.13 0.09 0.00 0.00 178.44 177.80 3hx7 h ASN 108 N -0.30 0.61 0.04 -0.43 -1.24 -0.53 0.14 115.58 113.88 3hx7 h ASN 108 Ca -0.02 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3hx7 h ASN 108 Cb 0.23 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.22 3hx7 h ASN 108 CO 0.03 0.35 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.90 3hx7 h GLN 109 N 0.74 -0.05 -0.47 6.67 5.75 -0.76 -0.77 115.11 126.22 3hx7 h GLN 109 Ca 0.38 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.92 3hx7 h GLN 109 Cb 0.36 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 3hx7 h GLN 109 CO -0.25 -0.01 0.31 0.00 -2.65 0.00 0.00 178.83 176.23 3hx7 h ALA 110 N 0.88 1.83 -0.40 3.38 0.00 -0.36 0.21 119.26 124.81 3hx7 h ALA 110 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3hx7 h ALA 110 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hx7 h ALA 110 CO 0.01 0.11 -0.33 -0.07 0.00 0.00 0.00 179.25 178.96 3hx7 h LEU 111 N 0.48 0.98 -0.55 0.00 3.38 -0.09 -1.92 115.31 117.60 3hx7 h LEU 111 Ca 0.19 -0.45 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 3hx7 h LEU 111 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hx7 h LEU 111 CO -0.05 1.22 -0.60 -0.07 0.09 0.00 0.00 178.44 179.04 3hx7 h LEU 112 N 0.74 0.48 -0.76 1.67 3.38 0.19 -0.99 115.31 120.02 3hx7 h LEU 112 Ca 0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3hx7 h LEU 112 Cb 0.92 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3hx7 h LEU 112 CO 0.09 0.96 0.20 0.44 0.09 0.00 0.00 178.44 180.22 3hx7 h ASP 113 N 0.32 1.07 -0.41 -0.43 3.45 -0.56 0.75 116.42 120.60 3hx7 h ASP 113 Ca -0.00 -0.22 -0.12 0.00 0.43 0.00 0.00 57.03 57.12 3hx7 h ASP 113 Cb 1.13 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.61 3hx7 h ASP 113 CO 0.10 1.01 -0.19 0.25 -1.57 0.00 0.00 179.24 178.84 3hx7 h LEU 114 N 1.09 0.89 -0.93 1.55 5.85 -1.17 -1.20 115.31 121.39 3hx7 h LEU 114 Ca 0.23 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3hx7 h LEU 114 Cb 0.34 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3hx7 h LEU 114 CO -0.00 1.09 0.38 -0.74 -0.34 0.00 0.00 178.44 178.83 3hx7 h HIS 115 N 0.68 1.15 0.35 1.25 2.76 -0.84 0.17 115.15 120.68 3hx7 h HIS 115 Ca 0.09 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3hx7 h HIS 115 Cb 0.75 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 3hx7 h HIS 115 CO 0.06 0.83 -0.23 0.00 -1.30 0.00 0.00 177.93 177.29 3hx7 h ALA 116 N 1.28 -0.56 -0.45 5.26 0.00 -0.54 -0.03 119.26 124.21 3hx7 h ALA 116 Ca 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hx7 h ALA 116 Cb 0.12 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hx7 h ALA 116 CO -0.03 -0.83 0.30 1.25 0.00 0.00 0.00 179.25 179.94 3hx7 h LEU 117 N -0.57 0.50 0.01 0.00 5.85 -0.89 -0.28 115.31 119.95 3hx7 h LEU 117 Ca -0.03 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hx7 h LEU 117 Cb 0.48 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3hx7 h LEU 117 CO 0.02 0.36 -0.01 1.23 -0.34 0.00 0.00 178.44 179.71 3hx7 h GLY 118 N 0.59 -0.02 1.50 3.75 0.00 0.01 -1.21 103.07 107.70 3hx7 h GLY 118 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3hx7 h GLY 118 CO -0.04 -0.01 0.25 1.76 0.00 0.00 0.00 176.54 178.50 3hx7 h SER 119 N -0.10 0.58 0.20 0.19 0.02 -0.18 -1.27 113.55 112.99 3hx7 h SER 119 Ca -0.00 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3hx7 h SER 119 Cb 0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3hx7 h SER 119 CO 0.00 0.48 -0.28 0.00 -1.14 0.00 0.00 176.83 175.89 3hx7 h ALA 120 N 1.61 1.38 -0.66 3.77 0.00 -0.55 -2.30 119.26 122.51 3hx7 h ALA 120 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hx7 h ALA 120 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hx7 h ALA 120 CO -0.03 0.44 0.00 0.54 0.00 0.00 0.00 179.25 180.20 3hx7 n ARG 121 N -4.16 2.96 -3.86 0.00 5.12 -0.51 -4.94 116.66 111.27 3hx7 n ARG 121 Ca -0.01 -2.56 -0.25 0.00 -1.93 0.00 0.00 57.85 53.09 3hx7 n ARG 121 Cb 0.36 -1.66 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 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 1.35 -3.32 -3.55 0.55 -2.24 -0.83 -4.94 114.28 101.32 3hx7 n THR 122 Ca 0.24 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 3hx7 n THR 122 Cb 0.68 -3.11 -0.06 0.00 -2.10 0.00 0.00 70.33 65.74 3hx7 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx7 s ASP 123 N -4.08 6.00 0.31 3.42 -1.08 -0.56 -4.93 116.67 115.75 3hx7 s ASP 123 Ca 0.19 -2.96 0.03 0.00 -0.52 0.00 0.00 52.55 49.28 3hx7 s ASP 123 Cb -0.10 -2.01 0.51 0.00 -1.46 0.00 0.00 42.92 39.86 3hx7 s ASP 123 CO 0.85 -0.41 1.82 1.55 0.52 0.00 0.00 175.17 179.50 3hx7 h PRO 124 N 7.13 0.58 -0.41 4.34 0.13 -1.92 -2.89 132.00 138.96 3hx7 h PRO 124 Ca 0.06 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3hx7 h PRO 124 Cb 0.96 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 3hx7 h PRO 124 CO 0.76 0.63 0.27 1.25 -0.23 0.00 0.00 178.00 180.68 3hx7 h HIS 125 N 0.55 0.52 -0.47 1.56 2.76 -1.96 0.17 115.15 118.28 3hx7 h HIS 125 Ca 0.11 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3hx7 h HIS 125 Cb 0.41 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 3hx7 h HIS 125 CO 0.02 0.34 0.29 1.25 -1.30 0.00 0.00 177.93 178.52 3hx7 h LEU 126 N 0.56 0.48 0.08 0.26 5.85 -1.93 -0.12 115.31 120.49 3hx7 h LEU 126 Ca 0.15 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3hx7 h LEU 126 Cb -0.06 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3hx7 h LEU 126 CO -0.03 0.34 -0.04 0.00 -0.34 0.00 0.00 178.44 178.37 3hx7 h ASP 128 N -0.29 0.74 0.64 0.00 3.58 -0.49 -0.06 116.42 120.55 3hx7 h ASP 128 Ca -0.01 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3hx7 h ASP 128 Cb 0.24 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.18 3hx7 h ASP 128 CO 0.02 0.41 -0.31 0.15 -2.88 0.00 0.00 179.24 176.63 3hx7 h PHE 129 N 0.81 -0.80 -0.73 0.28 3.04 -0.69 -1.47 116.94 117.39 3hx7 h PHE 129 Ca 0.43 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.35 3hx7 h PHE 129 Cb 0.54 0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 3hx7 h PHE 129 CO -0.00 -0.48 0.40 -0.07 -2.02 0.00 0.00 178.31 176.14 3hx7 h LEU 130 N -0.91 0.90 -0.23 0.59 3.38 -0.59 -1.15 115.31 117.29 3hx7 h LEU 130 Ca -0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3hx7 h LEU 130 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3hx7 h LEU 130 CO 0.14 0.72 0.06 -0.33 0.09 0.00 0.00 178.44 179.12 3hx7 h GLU 131 N 1.01 0.38 -0.10 1.13 5.08 -0.99 -1.17 114.58 119.91 3hx7 h GLU 131 Ca 0.26 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 3hx7 h GLU 131 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hx7 h GLU 131 CO -0.04 0.49 -0.57 1.15 -1.00 0.00 0.00 179.01 179.03 3hx7 h THR 132 N 0.20 1.36 0.00 1.13 2.02 -0.87 -3.37 112.91 113.38 3hx7 h THR 132 Ca 0.07 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3hx7 h THR 132 Cb 0.28 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3hx7 h THR 132 CO 0.00 0.56 -0.57 1.41 0.37 0.00 0.00 175.52 177.29 3hx7 n HIS 133 N -3.91 0.00 0.03 3.16 8.25 -0.47 -4.94 115.22 117.33 3hx7 n HIS 133 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3hx7 n HIS 133 Cb 0.60 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.30 -0.06 -0.08 4.41 3.72 -0.62 -4.72 117.46 118.81 3hx7 n PHE 134 Ca 0.00 0.01 -0.14 0.00 -0.05 0.00 0.00 57.45 57.27 3hx7 n PHE 134 Cb 0.08 0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.76 -1.63 4.37 3.38 -1.42 0.93 115.31 119.19 3hx7 h LEU 135 Ca 0.00 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3hx7 h LEU 135 Cb 0.50 0.71 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3hx7 h LEU 135 CO 0.00 -0.44 -0.20 -0.78 0.09 0.00 0.00 178.44 177.11 3hx7 h ASP 136 N -0.48 0.00 -0.07 -0.43 -0.00 -1.84 -1.49 116.42 112.10 3hx7 h ASP 136 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.93 3hx7 h ASP 136 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.96 3hx7 h ASP 136 CO -0.52 0.20 -0.52 -0.33 -0.00 0.00 0.00 179.24 178.07 3hx7 h GLU 137 N 0.00 0.65 -0.23 0.28 4.39 -1.56 -1.35 114.58 116.76 3hx7 h GLU 137 Ca -0.00 -0.40 -0.15 0.00 0.34 0.00 0.00 59.36 59.15 3hx7 h GLU 137 Cb 0.39 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3hx7 h GLU 137 CO 0.03 1.01 -0.46 0.93 -1.16 0.00 0.00 179.01 179.36 3hx7 h GLU 138 N 0.51 0.72 0.22 2.33 4.39 -0.35 -2.29 114.58 120.10 3hx7 h GLU 138 Ca 0.02 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 3hx7 h GLU 138 Cb 1.07 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3hx7 h GLU 138 CO 0.10 1.09 -0.17 0.28 -1.16 0.00 0.00 179.01 179.15 3hx7 h VAL 139 N 0.44 0.64 -0.88 3.13 2.07 -1.24 0.10 116.25 120.50 3hx7 h VAL 139 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3hx7 h VAL 139 Cb 1.07 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3hx7 h VAL 139 CO 0.10 0.00 0.58 0.11 0.02 0.00 0.00 177.57 178.38 3hx7 h LYS 140 N -0.39 1.02 -0.08 1.57 1.57 -1.27 -0.18 116.57 118.80 3hx7 h LYS 140 Ca -0.01 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3hx7 h LYS 140 Cb 0.35 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hx7 h LYS 140 CO -0.01 0.68 -0.09 1.25 -0.57 0.00 0.00 179.45 180.70 3hx7 h LEU 141 N 1.05 0.22 -0.83 2.94 5.85 -1.08 -0.98 115.31 122.49 3hx7 h LEU 141 Ca 0.36 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3hx7 h LEU 141 Cb 0.11 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3hx7 h LEU 141 CO -0.12 0.68 0.54 0.40 -0.34 0.00 0.00 178.44 179.59 3hx7 h ILE 142 N -0.23 1.15 0.15 4.05 2.04 -0.44 0.59 117.51 124.83 3hx7 h ILE 142 Ca 0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3hx7 h ILE 142 Cb 0.62 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3hx7 h ILE 142 CO 0.02 0.19 -0.07 0.50 0.00 0.00 0.00 178.15 178.79 3hx7 h LYS 143 N 1.06 -0.20 -0.99 2.37 1.63 -1.00 -0.87 116.57 118.56 3hx7 h LYS 143 Ca 0.32 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.26 3hx7 h LYS 143 Cb -0.03 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.56 3hx7 h LYS 143 CO -0.10 -0.11 0.63 -0.22 -3.45 0.00 0.00 179.45 176.20 3hx7 h LYS 144 N -0.24 0.92 -0.41 1.90 3.64 -0.50 -0.67 116.57 121.21 3hx7 h LYS 144 Ca -0.02 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 3hx7 h LYS 144 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3hx7 h LYS 144 CO 0.03 0.61 -0.33 0.52 -2.27 0.00 0.00 179.45 178.01 3hx7 h MET 145 N 0.95 0.95 -0.22 1.90 2.86 -0.44 -2.60 114.93 118.34 3hx7 h MET 145 Ca 0.50 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3hx7 h MET 145 Cb 0.54 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3hx7 h MET 145 CO -0.26 1.13 0.05 0.78 1.06 0.00 0.00 176.91 179.67 3hx7 h GLY 146 N 0.81 0.25 0.44 8.32 0.00 0.27 0.76 103.07 113.93 3hx7 h GLY 146 Ca 0.08 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.48 3hx7 h GLY 146 CO 0.09 0.01 0.34 -0.55 0.00 0.00 0.00 176.54 176.42 3hx7 h ASP 147 N 0.14 0.43 0.05 0.19 5.19 -1.23 -0.65 116.42 120.54 3hx7 h ASP 147 Ca 0.10 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3hx7 h ASP 147 Cb 0.09 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 3hx7 h ASP 147 CO -0.12 0.24 -0.02 0.45 -3.12 0.00 0.00 179.24 176.66 3hx7 h HIS 148 N 0.57 -0.06 -0.74 4.55 3.86 -0.92 -1.27 115.15 121.13 3hx7 h HIS 148 Ca 0.35 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.68 3hx7 h HIS 148 Cb 0.39 0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.80 3hx7 h HIS 148 CO -0.12 -0.01 0.34 -0.07 0.86 0.00 0.00 177.93 178.94 3hx7 h LEU 149 N -0.10 0.40 -0.32 2.43 3.38 -0.09 0.26 115.31 121.26 3hx7 h LEU 149 Ca -0.01 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hx7 h LEU 149 Cb 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hx7 h LEU 149 CO 0.01 0.19 0.08 0.74 0.09 0.00 0.00 178.44 179.56 3hx7 h THR 150 N 0.54 1.22 0.00 0.22 2.02 -0.87 -1.14 112.91 114.90 3hx7 h THR 150 Ca 0.39 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 3hx7 h THR 150 Cb 0.51 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3hx7 h THR 150 CO -0.33 0.24 -0.39 0.78 0.37 0.00 0.00 175.52 176.19 3hx7 h ASN 151 N 0.37 0.00 -0.02 4.18 2.35 -0.40 -0.68 115.58 121.38 3hx7 h ASN 151 Ca 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3hx7 h ASN 151 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3hx7 h ASN 151 CO 0.00 0.39 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.09 3hx7 h LEU 152 N 0.00 0.04 -0.66 1.61 3.38 -0.19 -2.80 115.31 116.69 3hx7 h LEU 152 Ca -0.00 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hx7 h LEU 152 Cb 0.69 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3hx7 h LEU 152 CO 0.05 0.47 0.40 -0.74 0.09 0.00 0.00 178.44 178.71 3hx7 h HIS 153 N -0.39 0.87 -0.28 1.13 2.76 -1.06 -1.77 115.15 116.41 3hx7 h HIS 153 Ca 0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3hx7 h HIS 153 Cb 0.46 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3hx7 h HIS 153 CO 0.08 0.59 0.27 -0.09 -1.30 0.00 0.00 177.93 177.48 3hx7 h ARG 154 N 0.90 0.00 -0.96 5.26 2.43 -1.10 -1.86 114.38 119.05 3hx7 h ARG 154 Ca 0.24 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3hx7 h ARG 154 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3hx7 h ARG 154 CO -0.04 0.00 0.02 1.28 -1.51 0.00 0.00 179.97 179.71 3hx7 n LEU 155 N -3.94 1.95 0.00 3.80 4.77 -0.67 -4.44 117.00 118.48 3hx7 n LEU 155 Ca 0.04 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3hx7 n LEU 155 Cb 0.42 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3hx7 n LEU 155 CO 0.30 0.35 0.02 0.61 -1.33 0.00 0.00 177.39 177.34 3hx7 n GLY 156 N 0.12 1.19 0.00 -0.72 0.00 -0.70 -5.00 105.19 100.09 3hx7 n GLY 156 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.27 0.35 3.84 -0.02 0.00 -1.26 -5.06 105.19 105.30 3hx7 n GLY 157 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3hx7 n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx7 s PRO 158 N 1.10 1.26 0.00 1.61 0.04 -1.26 -5.17 135.00 132.59 3hx7 s PRO 158 Ca 0.00 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.15 3hx7 s PRO 158 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3hx7 s PRO 158 CO 0.00 -2.08 0.00 0.39 0.04 0.00 0.00 177.00 175.35