#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s SER 2 N 0.00 6.39 0.46 6.12 0.01 -1.26 -5.05 113.70 120.36 3hx7 s SER 2 Ca 0.00 0.35 -0.24 0.00 1.31 0.00 0.00 55.95 57.37 3hx7 s SER 2 Cb 0.00 -1.99 -0.09 0.00 0.21 0.00 0.00 66.02 64.15 3hx7 s SER 2 CO 0.00 0.04 1.11 -0.24 0.41 0.00 0.00 173.24 174.56 3hx7 n SER 3 N -0.31 1.69 0.19 2.44 2.88 -1.26 -4.83 113.62 114.42 3hx7 n SER 3 Ca -0.05 1.02 0.13 0.00 -1.33 0.00 0.00 58.87 58.64 3hx7 n SER 3 Cb 0.53 -1.42 0.70 0.00 -0.75 0.00 0.00 64.21 63.27 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 1.54 0.00 0.00 -1.46 3.07 -1.96 -2.80 115.11 113.49 3hx7 h GLN 4 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 3hx7 h GLN 4 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 3hx7 h GLN 4 CO 0.57 0.00 -0.81 0.44 0.09 0.00 0.00 178.83 179.12 3hx7 n ILE 5 N -2.41 0.00 -1.76 1.86 -5.35 -1.26 -5.00 119.36 105.44 3hx7 n ILE 5 Ca -0.02 -0.10 -0.42 0.00 -0.27 0.00 0.00 62.75 61.94 3hx7 n ILE 5 Cb 0.04 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 38.91 3hx7 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx7 s ARG 6 N -2.61 4.14 -0.23 6.28 3.52 -1.06 -4.83 118.95 124.16 3hx7 s ARG 6 Ca 0.06 2.56 -0.04 0.00 -0.13 0.00 0.00 55.73 58.18 3hx7 s ARG 6 Cb 0.13 -3.21 0.12 0.00 -1.56 0.00 0.00 34.95 30.43 3hx7 s ARG 6 CO 0.70 -0.75 0.41 -1.14 -0.81 0.00 0.00 175.30 173.71 3hx7 s GLN 7 N 1.55 0.35 -1.15 5.12 0.74 -1.26 -4.94 119.66 120.06 3hx7 s GLN 7 Ca 0.75 0.77 -0.01 0.00 0.05 0.00 0.00 55.36 56.92 3hx7 s GLN 7 Cb -0.48 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 33.54 3hx7 s GLN 7 CO 0.33 -0.48 0.97 -1.71 -0.55 0.00 0.00 175.29 173.84 3hx7 n ASN 8 N 5.38 -2.95 -3.49 6.67 5.15 -1.26 -4.98 115.26 119.78 3hx7 n ASN 8 Ca -0.05 -0.63 -0.27 0.00 -0.60 0.00 0.00 54.58 53.03 3hx7 n ASN 8 Cb 0.50 -5.07 -0.10 0.00 -0.53 0.00 0.00 39.78 34.57 3hx7 n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hx7 n TYR 9 N -3.91 -0.01 -1.29 1.20 9.36 -1.26 -4.86 117.16 116.40 3hx7 n TYR 9 Ca -0.24 -3.53 -0.36 0.00 3.32 0.00 0.00 57.90 57.09 3hx7 n TYR 9 Cb 0.66 0.06 0.09 0.00 -0.63 0.00 0.00 39.34 39.51 3hx7 n TYR 9 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3hx7 n SER 10 N 2.59 -0.02 -0.04 2.98 3.41 -1.26 -4.82 113.62 116.47 3hx7 n SER 10 Ca 0.28 0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 59.42 3hx7 n SER 10 Cb 0.45 -1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 3hx7 n SER 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hx7 h THR 11 N -0.38 0.93 -0.03 6.66 1.35 -2.00 -2.57 112.91 116.87 3hx7 h THR 11 Ca -0.47 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 3hx7 h THR 11 Cb 1.33 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3hx7 h THR 11 CO 0.45 0.03 -0.01 -2.24 -0.25 0.00 0.00 175.52 173.50 3hx7 h ASP 12 N 0.14 0.04 -0.33 5.36 -0.00 -1.98 0.11 116.42 119.76 3hx7 h ASP 12 Ca 0.09 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.09 3hx7 h ASP 12 Cb 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.37 3hx7 h ASP 12 CO -0.10 0.06 0.09 0.58 -0.00 0.00 0.00 179.24 179.87 3hx7 h VAL 13 N 0.04 1.21 -0.21 4.15 2.07 -1.82 0.19 116.25 121.89 3hx7 h VAL 13 Ca 0.01 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3hx7 h VAL 13 Cb 0.05 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3hx7 h VAL 13 CO 0.00 0.24 0.11 -0.08 0.02 0.00 0.00 177.57 177.86 3hx7 h GLU 14 N 0.38 0.23 -0.68 1.57 4.81 -0.88 0.15 114.58 120.16 3hx7 h GLU 14 Ca 0.11 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3hx7 h GLU 14 Cb 0.27 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3hx7 h GLU 14 CO -0.00 0.15 0.26 0.00 -0.73 0.00 0.00 179.01 178.69 3hx7 h ALA 15 N 1.10 1.18 -0.05 2.92 0.00 -0.65 -1.99 119.26 121.78 3hx7 h ALA 15 Ca 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hx7 h ALA 15 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hx7 h ALA 15 CO -0.05 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.80 3hx7 h ALA 16 N 1.30 0.06 -0.68 0.00 0.00 0.01 -1.99 119.26 117.96 3hx7 h ALA 16 Ca 0.23 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3hx7 h ALA 16 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hx7 h ALA 16 CO -0.02 -0.31 0.45 0.28 0.00 0.00 0.00 179.25 179.65 3hx7 h VAL 17 N -0.15 0.87 -0.42 0.00 2.07 -0.46 0.12 116.25 118.28 3hx7 h VAL 17 Ca 0.01 -0.15 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 3hx7 h VAL 17 Cb 0.25 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hx7 h VAL 17 CO 0.00 0.08 -0.30 0.78 0.02 0.00 0.00 177.57 178.15 3hx7 h ASN 18 N 0.45 0.99 -0.08 0.57 2.35 -0.99 -1.65 115.58 117.21 3hx7 h ASN 18 Ca 0.32 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 3hx7 h ASN 18 Cb 0.63 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3hx7 h ASN 18 CO -0.10 1.21 -0.19 -1.28 -1.65 0.00 0.00 177.43 175.43 3hx7 h SER 19 N 0.77 0.47 -0.19 5.81 0.87 -0.32 -2.09 113.55 118.86 3hx7 h SER 19 Ca 0.08 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 3hx7 h SER 19 Cb 0.89 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3hx7 h SER 19 CO 0.08 0.67 -0.09 0.25 -0.53 0.00 0.00 176.83 177.22 3hx7 h LEU 20 N 0.43 0.41 -0.80 2.23 5.85 -0.68 -1.78 115.31 120.97 3hx7 h LEU 20 Ca 0.07 -0.40 0.15 0.00 0.84 0.00 0.00 57.88 58.54 3hx7 h LEU 20 Cb 0.58 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 3hx7 h LEU 20 CO 0.04 0.73 0.35 0.58 -0.34 0.00 0.00 178.44 179.80 3hx7 h VAL 21 N 0.10 0.66 -0.52 1.05 2.07 -0.93 0.25 116.25 118.94 3hx7 h VAL 21 Ca 0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3hx7 h VAL 21 Cb 0.57 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3hx7 h VAL 21 CO 0.03 0.09 0.24 -1.13 0.02 0.00 0.00 177.57 176.81 3hx7 h ASN 22 N 0.50 0.69 -0.13 0.57 -0.73 -1.06 -1.03 115.58 114.38 3hx7 h ASN 22 Ca 0.44 -0.14 0.03 0.00 1.87 0.00 0.00 56.30 58.51 3hx7 h ASN 22 Cb 0.67 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 39.05 3hx7 h ASN 22 CO -0.40 0.64 -0.08 0.25 -0.37 0.00 0.00 177.43 177.46 3hx7 h LEU 23 N 0.69 -0.27 -1.45 0.34 5.85 -0.15 0.18 115.31 120.50 3hx7 h LEU 23 Ca 0.18 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 3hx7 h LEU 23 Cb 0.14 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3hx7 h LEU 23 CO -0.02 -0.11 -0.09 1.88 -0.34 0.00 0.00 178.44 179.75 3hx7 h TYR 24 N -0.08 0.25 -0.27 1.25 -1.99 -0.88 0.21 116.97 115.45 3hx7 h TYR 24 Ca 0.08 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 3hx7 h TYR 24 Cb 0.20 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 3hx7 h TYR 24 CO -0.22 0.34 0.04 -0.07 -0.00 0.00 0.00 178.16 178.25 3hx7 h LEU 25 N 0.23 0.44 -0.72 3.88 3.38 -0.25 -0.61 115.31 121.66 3hx7 h LEU 25 Ca 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hx7 h LEU 25 Cb 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3hx7 h LEU 25 CO 0.02 0.60 0.46 -0.61 0.09 0.00 0.00 178.44 178.99 3hx7 h GLN 26 N 0.26 0.97 -0.45 1.13 4.15 -0.46 -1.09 115.11 119.62 3hx7 h GLN 26 Ca 0.08 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 3hx7 h GLN 26 Cb 0.35 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3hx7 h GLN 26 CO 0.01 0.67 0.18 0.00 -1.93 0.00 0.00 178.83 177.75 3hx7 h ALA 27 N 1.24 0.59 -0.23 3.38 0.00 -0.34 -1.95 119.26 121.94 3hx7 h ALA 27 Ca 0.26 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hx7 h ALA 27 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hx7 h ALA 27 CO -0.05 0.20 -0.15 1.03 0.00 0.00 0.00 179.25 180.27 3hx7 h SER 28 N 0.59 0.37 -0.04 0.00 0.87 -0.68 -1.86 113.55 112.80 3hx7 h SER 28 Ca 0.15 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3hx7 h SER 28 Cb 0.20 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3hx7 h SER 28 CO -0.01 0.55 0.01 0.22 -0.53 0.00 0.00 176.83 177.07 3hx7 h TYR 29 N 0.36 0.06 -0.42 2.24 3.20 -0.88 -1.61 116.97 119.92 3hx7 h TYR 29 Ca 0.07 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.00 3hx7 h TYR 29 Cb 0.48 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 3hx7 h TYR 29 CO 0.01 0.22 0.08 1.15 -1.64 0.00 0.00 178.16 177.98 3hx7 h THR 30 N -0.11 0.78 0.00 1.81 2.02 -0.97 0.64 112.91 117.08 3hx7 h THR 30 Ca 0.01 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3hx7 h THR 30 Cb 0.18 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3hx7 h THR 30 CO -0.00 0.04 -0.11 1.88 0.37 0.00 0.00 175.52 177.70 3hx7 h TYR 31 N 0.21 0.00 -0.22 3.16 0.05 -1.22 -0.64 116.97 118.31 3hx7 h TYR 31 Ca 0.20 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.84 3hx7 h TYR 31 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3hx7 h TYR 31 CO -0.21 0.11 -0.40 1.25 -1.05 0.00 0.00 178.16 177.86 3hx7 h LEU 32 N 0.00 0.73 0.11 3.88 5.85 0.11 -0.63 115.31 125.36 3hx7 h LEU 32 Ca -0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3hx7 h LEU 32 Cb 0.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3hx7 h LEU 32 CO 0.01 1.13 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.87 3hx7 h SER 33 N 0.36 -0.26 -0.24 1.25 0.87 -0.26 -2.02 113.55 113.24 3hx7 h SER 33 Ca 0.01 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 3hx7 h SER 33 Cb 1.00 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.02 3hx7 h SER 33 CO 0.09 -0.16 0.01 -0.07 -0.53 0.00 0.00 176.83 176.18 3hx7 h LEU 34 N -0.23 -0.07 -0.69 2.23 3.38 -1.16 -0.95 115.31 117.82 3hx7 h LEU 34 Ca 0.00 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.14 3hx7 h LEU 34 Cb 0.21 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3hx7 h LEU 34 CO -0.02 -0.00 0.27 1.23 0.09 0.00 0.00 178.44 180.01 3hx7 h GLY 35 N 0.09 1.01 1.77 0.83 0.00 -0.73 -1.92 103.07 104.13 3hx7 h GLY 35 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3hx7 h GLY 35 CO -0.18 -0.06 -0.20 0.74 0.00 0.00 0.00 176.54 176.84 3hx7 h PHE 36 N 0.44 0.00 -0.37 5.60 -1.00 -0.92 -3.23 116.94 117.46 3hx7 h PHE 36 Ca 0.37 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.98 3hx7 h PHE 36 Cb 0.51 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 3hx7 h PHE 36 CO -0.17 0.00 -0.41 -0.92 -1.61 0.00 0.00 178.31 175.20 3hx7 h TYR 37 N 0.00 1.13 -0.03 -0.55 3.20 -0.38 -2.86 116.97 117.48 3hx7 h TYR 37 Ca 0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3hx7 h TYR 37 Cb 0.87 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3hx7 h TYR 37 CO 0.00 1.18 0.00 1.19 -1.64 0.00 0.00 178.16 178.89 3hx7 n PHE 38 N -4.05 0.04 0.65 -3.82 3.72 -1.05 -2.81 117.46 110.14 3hx7 n PHE 38 Ca -0.03 -0.02 0.10 0.00 -0.05 0.00 0.00 57.45 57.46 3hx7 n PHE 38 Cb 0.56 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.59 0.65 -4.69 4.37 -0.08 -1.08 -2.03 116.55 113.09 3hx7 n ASP 39 Ca 0.14 -0.61 -0.38 0.00 -1.51 0.00 0.00 54.79 52.43 3hx7 n ASP 39 Cb 0.11 1.30 0.05 0.00 2.34 0.00 0.00 41.12 44.92 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 -1.78 1.22 0.24 -0.67 1.74 -1.12 -4.70 116.66 111.59 3hx7 n ARG 40 Ca 0.01 0.46 0.10 0.00 -0.77 0.00 0.00 57.85 57.66 3hx7 n ARG 40 Cb 0.41 -2.40 0.61 0.00 -1.02 0.00 0.00 32.46 30.06 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 0.82 0.00 -0.41 0.55 2.03 -1.93 0.27 116.42 117.75 3hx7 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx7 h ASP 41 Cb 1.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 3hx7 h ASP 41 CO 0.54 0.18 0.00 -0.90 -1.03 0.00 0.00 179.24 178.03 3hx7 n ASP 42 N -3.73 3.77 0.00 4.15 3.85 -1.26 -4.10 116.55 119.24 3hx7 n ASP 42 Ca -0.02 -2.46 0.00 0.00 -0.71 0.00 0.00 54.79 51.60 3hx7 n ASP 42 Cb 0.30 -0.55 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 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 0.54 0.00 -2.28 2.12 0.31 -0.97 -5.09 118.33 112.97 3hx7 n VAL 43 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3hx7 n VAL 43 Cb 0.77 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 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 -0.41 -0.78 -3.74 3.52 0.00 0.90 -4.90 120.51 115.11 3hx7 n ALA 44 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3hx7 n ALA 44 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.50 2.24 -0.20 0.00 4.77 -0.86 -5.00 117.00 117.44 3hx7 n LEU 45 Ca 0.00 -5.03 -0.11 0.00 -0.03 0.00 0.00 56.01 50.84 3hx7 n LEU 45 Cb 0.00 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 3hx7 n LEU 45 CO 0.00 1.81 0.49 -0.08 -1.33 0.00 0.00 177.39 178.28 3hx7 h GLU 46 N 5.33 -0.21 -1.01 3.23 4.81 -1.91 -0.91 114.58 123.91 3hx7 h GLU 46 Ca 0.18 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.68 3hx7 h GLU 46 Cb 0.78 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.09 3hx7 h GLU 46 CO 0.64 -0.14 0.60 0.78 -0.73 0.00 0.00 179.01 180.17 3hx7 h GLY 47 N -0.22 1.86 0.80 1.92 0.00 -1.94 0.65 103.07 106.15 3hx7 h GLY 47 Ca 0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3hx7 h GLY 47 CO -0.61 -0.26 -0.25 -2.08 0.00 0.00 0.00 176.54 173.34 3hx7 h VAL 48 N 0.54 1.35 0.25 4.60 2.07 -1.73 -1.10 116.25 122.23 3hx7 h VAL 48 Ca 0.65 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hx7 h VAL 48 Cb 1.30 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3hx7 h VAL 48 CO -0.47 0.44 -0.22 -1.28 0.02 0.00 0.00 177.57 176.07 3hx7 h SER 49 N 0.09 -0.56 -0.91 0.57 0.87 0.48 -1.84 113.55 112.24 3hx7 h SER 49 Ca 0.01 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.74 3hx7 h SER 49 Cb 0.82 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.90 3hx7 h SER 49 CO 0.06 -0.33 0.59 -0.74 -0.53 0.00 0.00 176.83 175.88 3hx7 h HIS 50 N -0.49 0.96 -0.45 2.24 6.17 0.16 -1.23 115.15 122.52 3hx7 h HIS 50 Ca -0.01 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.11 3hx7 h HIS 50 Cb 0.44 -0.31 -0.03 0.00 2.52 0.00 0.00 27.41 30.03 3hx7 h HIS 50 CO -0.14 0.41 0.27 0.35 0.71 0.00 0.00 177.93 179.53 3hx7 h PHE 51 N 0.86 0.50 0.00 5.26 3.57 -0.41 -1.79 116.94 124.92 3hx7 h PHE 51 Ca 0.44 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.81 3hx7 h PHE 51 Cb 0.50 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3hx7 h PHE 51 CO -0.00 0.29 -0.69 0.74 -2.23 0.00 0.00 178.31 176.42 3hx7 h PHE 52 N 0.53 0.00 -0.41 0.41 0.05 -0.60 -2.88 116.94 114.04 3hx7 h PHE 52 Ca 0.18 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.85 3hx7 h PHE 52 Cb 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 3hx7 h PHE 52 CO -0.07 0.69 -0.21 0.00 -0.18 0.00 0.00 178.31 178.54 3hx7 h ARG 53 N 0.00 0.82 -0.28 1.51 3.08 -0.93 -1.23 114.38 117.36 3hx7 h ARG 53 Ca -0.01 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.66 3hx7 h ARG 53 Cb 1.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3hx7 h ARG 53 CO 0.09 0.96 -0.06 0.93 -1.07 0.00 0.00 179.97 180.82 3hx7 h GLU 54 N 0.72 0.44 -0.02 0.04 5.08 -1.28 -2.19 114.58 117.37 3hx7 h GLU 54 Ca 0.10 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3hx7 h GLU 54 Cb 0.74 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3hx7 h GLU 54 CO 0.06 0.52 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.92 3hx7 h LEU 55 N 0.42 0.09 -0.40 1.33 3.38 -1.17 -1.94 115.31 117.02 3hx7 h LEU 55 Ca 0.09 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3hx7 h LEU 55 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3hx7 h LEU 55 CO 0.02 0.67 -0.04 0.00 0.09 0.00 0.00 178.44 179.17 3hx7 h ALA 56 N 1.33 0.55 0.00 1.53 0.00 -0.65 -1.71 119.26 120.31 3hx7 h ALA 56 Ca -0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3hx7 h ALA 56 Cb 1.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hx7 h ALA 56 CO 0.08 0.37 -0.23 1.49 0.00 0.00 0.00 179.25 180.96 3hx7 h GLU 57 N 0.56 0.00 -0.16 0.00 4.57 -1.28 -1.39 114.58 116.89 3hx7 h GLU 57 Ca 0.11 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.09 3hx7 h GLU 57 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3hx7 h GLU 57 CO 0.03 0.23 -0.69 0.93 -1.18 0.00 0.00 179.01 178.33 3hx7 h GLU 58 N 0.00 0.65 -0.04 1.92 5.08 -0.86 -1.91 114.58 119.42 3hx7 h GLU 58 Ca -0.00 -0.49 -0.14 0.00 -1.00 0.00 0.00 59.36 57.72 3hx7 h GLU 58 Cb 0.48 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3hx7 h GLU 58 CO 0.03 1.11 -0.61 0.87 -1.00 0.00 0.00 179.01 179.41 3hx7 h LYS 59 N 0.47 0.15 0.11 2.33 1.79 -0.79 -1.89 116.57 118.74 3hx7 h LYS 59 Ca -0.03 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3hx7 h LYS 59 Cb 1.29 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3hx7 h LYS 59 CO 0.14 0.72 -0.05 -0.09 -1.08 0.00 0.00 179.45 179.08 3hx7 h ARG 60 N 0.11 -0.14 -0.01 3.15 2.43 -1.14 -0.79 114.38 117.98 3hx7 h ARG 60 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hx7 h ARG 60 Cb 1.11 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3hx7 h ARG 60 CO 0.09 0.00 0.01 0.93 -1.51 0.00 0.00 179.97 179.49 3hx7 h GLU 61 N -0.25 0.00 0.08 0.20 5.08 -1.24 -0.79 114.58 117.66 3hx7 h GLU 61 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hx7 h GLU 61 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hx7 h GLU 61 CO 0.02 0.00 -0.04 0.78 -1.00 0.00 0.00 179.01 178.78 3hx7 h GLY 62 N 0.00 -0.11 1.88 -3.84 0.00 -0.33 -2.21 103.07 98.45 3hx7 h GLY 62 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.39 3hx7 h GLY 62 CO -0.00 -0.04 0.05 0.10 0.00 0.00 0.00 176.54 176.65 3hx7 h TYR 63 N -0.13 0.00 -0.22 5.60 -0.00 -1.15 0.17 116.97 121.23 3hx7 h TYR 63 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.67 3hx7 h TYR 63 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.80 3hx7 h TYR 63 CO 0.15 0.00 -0.09 0.93 -0.00 0.00 0.00 178.16 179.15 3hx7 h GLU 64 N 0.00 0.34 -0.00 0.10 5.08 -1.16 -0.49 114.58 118.46 3hx7 h GLU 64 Ca 0.03 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3hx7 h GLU 64 Cb 0.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hx7 h GLU 64 CO -0.00 0.45 -0.85 -0.09 -1.00 0.00 0.00 179.01 177.52 3hx7 h ARG 65 N 0.33 0.20 -0.13 2.33 2.43 -0.04 -2.43 114.38 117.07 3hx7 h ARG 65 Ca 0.07 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3hx7 h ARG 65 Cb 0.37 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hx7 h ARG 65 CO 0.02 0.93 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.19 3hx7 h LEU 66 N 0.12 0.36 -0.63 3.80 3.38 -0.73 -1.79 115.31 119.81 3hx7 h LEU 66 Ca -0.04 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3hx7 h LEU 66 Cb 1.46 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 3hx7 h LEU 66 CO 0.13 0.78 0.35 -0.07 0.09 0.00 0.00 178.44 179.73 3hx7 h LEU 67 N -0.06 0.78 -1.00 1.67 3.38 -1.16 0.22 115.31 119.15 3hx7 h LEU 67 Ca 0.02 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3hx7 h LEU 67 Cb 0.69 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3hx7 h LEU 67 CO 0.04 0.64 0.65 0.50 0.09 0.00 0.00 178.44 180.36 3hx7 h LYS 68 N 0.86 1.22 -0.19 1.13 3.64 -1.41 -1.68 116.57 120.14 3hx7 h LYS 68 Ca 0.22 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3hx7 h LYS 68 Cb 0.03 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3hx7 h LYS 68 CO -0.04 0.81 -0.03 1.98 -2.27 0.00 0.00 179.45 179.90 3hx7 h MET 69 N 1.26 0.36 -1.00 1.90 4.05 -0.36 -1.90 114.93 119.23 3hx7 h MET 69 Ca 0.40 -0.13 0.16 0.00 -0.28 0.00 0.00 59.70 59.85 3hx7 h MET 69 Cb 0.01 -0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 30.69 3hx7 h MET 69 CO -0.13 0.59 0.62 0.37 0.23 0.00 0.00 176.91 178.59 3hx7 h GLN 70 N 0.09 0.84 -0.14 0.39 5.75 -0.18 -1.83 115.11 120.03 3hx7 h GLN 70 Ca 0.05 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3hx7 h GLN 70 Cb 0.45 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 3hx7 h GLN 70 CO 0.02 0.55 -0.16 -0.91 -2.65 0.00 0.00 178.83 175.68 3hx7 h ASN 71 N 0.86 0.38 0.01 -0.69 2.35 -1.04 0.28 115.58 117.72 3hx7 h ASN 71 Ca 0.54 -0.50 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hx7 h ASN 71 Cb 0.72 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3hx7 h ASN 71 CO -0.33 0.80 -0.00 1.56 -1.65 0.00 0.00 177.43 177.81 3hx7 h GLN 72 N -0.04 0.00 0.00 0.81 4.20 -0.54 0.05 115.11 119.58 3hx7 h GLN 72 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hx7 h GLN 72 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3hx7 h GLN 72 CO 0.04 0.00 -1.18 0.54 -0.67 0.00 0.00 178.83 177.56 3hx7 n ARG 73 N -3.54 0.52 -0.16 1.46 5.12 -0.86 -4.96 116.66 114.24 3hx7 n ARG 73 Ca -0.03 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hx7 n ARG 73 Cb 0.08 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 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 1.25 0.91 3.95 -0.13 0.00 0.00 -3.80 105.19 107.38 3hx7 n GLY 74 Ca -0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.06 1.75 -0.09 -0.02 0.00 0.93 -4.54 107.32 103.28 3hx7 s GLY 75 Ca 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.43 3hx7 s GLY 75 CO 0.00 -0.71 -0.17 0.50 0.00 0.00 0.00 173.10 172.72 3hx7 s ARG 76 N -5.45 2.34 0.10 2.90 1.81 -1.26 -4.28 118.95 115.11 3hx7 s ARG 76 Ca 0.67 -0.62 -0.31 0.00 -1.72 0.00 0.00 55.73 53.75 3hx7 s ARG 76 Cb -0.06 -1.89 -0.09 0.00 -0.45 0.00 0.00 34.95 32.46 3hx7 s ARG 76 CO 0.48 0.03 1.70 0.00 -0.68 0.00 0.00 175.30 176.83 3hx7 s ALA 77 N 0.70 3.73 -0.27 2.13 0.00 -1.26 -4.98 121.76 121.81 3hx7 s ALA 77 Ca -0.12 1.32 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 3hx7 s ALA 77 Cb -0.16 -3.71 0.08 0.00 0.00 0.00 0.00 23.12 19.33 3hx7 s ALA 77 CO 0.03 -1.09 0.04 -0.51 0.00 0.00 0.00 175.76 174.23 3hx7 s LEU 78 N 2.41 2.43 0.59 0.00 1.43 -1.26 -5.13 118.68 119.15 3hx7 s LEU 78 Ca 0.76 -1.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.33 3hx7 s LEU 78 Cb -0.43 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3hx7 s LEU 78 CO 0.33 -0.34 0.99 -0.36 0.23 0.00 0.00 176.35 177.20 3hx7 s PHE 79 N 1.52 3.61 0.26 0.29 0.08 -1.26 -4.91 117.98 117.57 3hx7 s PHE 79 Ca 0.04 1.21 0.01 0.00 0.12 0.00 0.00 56.93 58.31 3hx7 s PHE 79 Cb -0.18 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 3hx7 s PHE 79 CO -0.15 -0.61 0.13 -0.65 -0.10 0.00 0.00 175.22 173.84 3hx7 s GLN 80 N -5.07 1.42 0.31 0.44 1.11 -1.26 -5.12 119.66 111.48 3hx7 s GLN 80 Ca 0.54 -1.78 -0.29 0.00 0.01 0.00 0.00 55.36 53.84 3hx7 s GLN 80 Cb -0.11 -0.05 -0.11 0.00 -1.01 0.00 0.00 33.01 31.74 3hx7 s GLN 80 CO 0.52 -0.38 1.49 -0.51 0.01 0.00 0.00 175.29 176.41 3hx7 s ASP 81 N -3.29 6.50 -0.38 5.90 -0.00 -1.26 -4.96 116.67 119.18 3hx7 s ASP 81 Ca 0.38 2.86 -0.20 0.00 -0.00 0.00 0.00 52.55 55.59 3hx7 s ASP 81 Cb 0.07 -2.64 0.01 0.00 -0.00 0.00 0.00 42.92 40.35 3hx7 s ASP 81 CO 0.15 -0.79 0.61 -0.63 -0.00 0.00 0.00 175.17 174.51 3hx7 s ILE 82 N -0.45 4.90 0.44 0.77 1.01 -1.26 -5.04 121.20 121.57 3hx7 s ILE 82 Ca 0.57 0.42 -0.24 0.00 0.00 0.00 0.00 60.65 61.40 3hx7 s ILE 82 Cb -0.45 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 3hx7 s ILE 82 CO 0.51 -0.36 1.23 -0.54 0.00 0.00 0.00 174.94 175.78 3hx7 s LYS 83 N 2.67 3.83 0.74 2.79 1.02 -1.26 -5.01 119.74 124.53 3hx7 s LYS 83 Ca 0.23 1.95 -0.12 0.00 0.02 0.00 0.00 55.97 58.05 3hx7 s LYS 83 Cb -0.15 -2.56 0.04 0.00 -0.52 0.00 0.00 37.83 34.64 3hx7 s LYS 83 CO 0.16 -0.54 1.11 -1.59 -0.92 0.00 0.00 175.35 173.56 3hx7 s LYS 84 N -2.48 2.32 0.75 1.68 -2.85 -1.26 -4.85 119.74 113.05 3hx7 s LYS 84 Ca 0.61 1.32 -0.15 0.00 -1.00 0.00 0.00 55.97 56.74 3hx7 s LYS 84 Cb -0.33 -1.90 0.03 0.00 -2.06 0.00 0.00 37.83 33.58 3hx7 s LYS 84 CO 0.41 -1.62 1.08 -2.30 0.10 0.00 0.00 175.35 173.03 3hx7 n PRO 85 N -3.17 0.45 0.19 1.78 -0.02 -1.26 -4.90 135.00 128.08 3hx7 n PRO 85 Ca 0.10 0.22 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 3hx7 n PRO 85 Cb 0.52 -2.33 0.66 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.42 1.00 -2.82 3.55 0.00 -1.98 -3.44 119.26 115.15 3hx7 h ALA 86 Ca -0.47 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 3hx7 h ALA 86 Cb 1.32 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.91 3hx7 h ALA 86 CO 0.47 0.00 -0.61 -1.21 0.00 0.00 0.00 179.25 177.90 3hx7 s GLU 87 N -3.57 0.42 -0.09 0.00 0.41 -1.26 -5.04 118.70 109.56 3hx7 s GLU 87 Ca -0.00 -0.59 -0.01 0.00 -0.41 0.00 0.00 54.97 53.96 3hx7 s GLU 87 Cb 0.09 0.16 -0.25 0.00 -1.78 0.00 0.00 34.13 32.34 3hx7 s GLU 87 CO 0.34 -0.09 0.48 -0.25 -0.49 0.00 0.00 175.26 175.25 3hx7 n ASP 88 N 1.37 1.73 -4.27 -0.19 8.00 -1.26 -4.87 116.55 117.07 3hx7 n ASP 88 Ca -0.23 0.29 -0.29 0.00 0.71 0.00 0.00 54.79 55.27 3hx7 n ASP 88 Cb 0.56 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.57 1.86 -0.06 -1.24 2.02 -1.26 -4.99 118.70 112.46 3hx7 s GLU 89 Ca -0.16 -0.85 0.14 0.00 0.02 0.00 0.00 54.97 54.11 3hx7 s GLU 89 Cb 0.07 -1.82 0.45 0.00 0.10 0.00 0.00 34.13 32.93 3hx7 s GLU 89 CO 0.79 0.50 1.37 0.91 0.02 0.00 0.00 175.26 178.85 3hx7 n TRP 90 N 2.43 0.77 -4.69 1.61 7.02 -1.26 -5.10 117.44 118.21 3hx7 n TRP 90 Ca -0.16 -0.60 0.00 0.00 -1.02 0.00 0.00 57.50 55.72 3hx7 n TRP 90 Cb 0.52 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 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 0.45 1.06 3.94 6.99 0.00 -1.26 -3.70 105.19 112.68 3hx7 n GLY 91 Ca 0.17 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 3.38 0.22 1.61 1.02 -1.26 -4.87 119.74 119.85 3hx7 s LYS 92 Ca 0.00 -0.34 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 3hx7 s LYS 92 Cb 0.00 -2.62 0.32 0.00 -0.52 0.00 0.00 37.83 35.01 3hx7 s LYS 92 CO 0.00 0.02 1.33 2.41 -0.92 0.00 0.00 175.35 178.20 3hx7 n THR 93 N -1.89 -0.40 0.05 2.17 -1.04 -1.26 -0.18 114.28 111.73 3hx7 n THR 93 Ca -0.03 1.98 0.03 0.00 -2.04 0.00 0.00 64.05 63.99 3hx7 n THR 93 Cb 0.56 -2.69 0.41 0.00 -1.82 0.00 0.00 70.33 66.80 3hx7 n THR 93 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hx7 h PRO 94 N 0.00 0.42 0.07 -2.82 0.11 -1.95 0.46 132.00 128.29 3hx7 h PRO 94 Ca 0.37 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 3hx7 h PRO 94 Cb 0.58 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3hx7 h PRO 94 CO -0.87 0.37 -0.04 -0.44 -0.21 0.00 0.00 178.00 176.81 3hx7 h ASP 95 N 0.43 -0.08 0.33 -2.05 3.45 -0.86 -2.02 116.42 115.62 3hx7 h ASP 95 Ca 0.11 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 3hx7 h ASP 95 Cb 0.11 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 3hx7 h ASP 95 CO -0.01 0.12 -0.37 0.00 -1.57 0.00 0.00 179.24 177.41 3hx7 h ALA 96 N 0.62 -0.78 -0.27 3.45 0.00 -1.01 -1.62 119.26 119.64 3hx7 h ALA 96 Ca -0.01 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3hx7 h ALA 96 Cb 0.25 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3hx7 h ALA 96 CO 0.02 -0.98 0.30 1.98 0.00 0.00 0.00 179.25 180.56 3hx7 h MET 97 N -0.74 0.00 0.05 0.00 -1.53 -0.89 0.83 114.93 112.65 3hx7 h MET 97 Ca -0.02 0.00 -0.19 0.00 -3.44 0.00 0.00 59.70 56.05 3hx7 h MET 97 Cb 0.68 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.75 3hx7 h MET 97 CO -0.09 0.00 -0.77 0.87 0.14 0.00 0.00 176.91 177.06 3hx7 h LYS 98 N 0.00 0.44 -0.84 0.39 1.57 -0.65 -2.56 116.57 114.92 3hx7 h LYS 98 Ca 0.13 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3hx7 h LYS 98 Cb 0.72 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 3hx7 h LYS 98 CO -0.00 1.19 0.46 0.00 -0.57 0.00 0.00 179.45 180.53 3hx7 h ALA 99 N 0.27 1.08 -0.46 3.86 0.00 -0.12 -0.44 119.26 123.45 3hx7 h ALA 99 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hx7 h ALA 99 Cb 1.50 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3hx7 h ALA 99 CO 0.15 0.59 0.29 0.00 0.00 0.00 0.00 179.25 180.28 3hx7 h ALA 100 N 1.25 0.58 -0.33 0.00 0.00 -0.95 -1.27 119.26 118.53 3hx7 h ALA 100 Ca 0.30 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3hx7 h ALA 100 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hx7 h ALA 100 CO -0.05 0.05 -0.11 1.98 0.00 0.00 0.00 179.25 181.12 3hx7 h MET 101 N 0.61 0.57 -0.20 0.00 -1.53 -1.01 -1.39 114.93 111.99 3hx7 h MET 101 Ca 0.17 -0.17 -0.10 0.00 -3.44 0.00 0.00 59.70 56.16 3hx7 h MET 101 Cb -0.04 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 30.94 3hx7 h MET 101 CO -0.03 0.67 -0.32 0.00 0.14 0.00 0.00 176.91 177.37 3hx7 h ALA 102 N 1.36 1.08 0.00 0.39 0.00 -0.66 -2.00 119.26 119.44 3hx7 h ALA 102 Ca 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hx7 h ALA 102 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hx7 h ALA 102 CO 0.03 0.57 -0.00 1.25 0.00 0.00 0.00 179.25 181.10 3hx7 h LEU 103 N 0.35 -0.00 -1.66 0.00 5.85 -0.57 -2.05 115.31 117.23 3hx7 h LEU 103 Ca 0.04 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3hx7 h LEU 103 Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hx7 h LEU 103 CO 0.06 0.34 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.97 3hx7 h GLU 104 N -0.35 0.00 -0.19 1.25 4.39 -1.21 -0.68 114.58 117.80 3hx7 h GLU 104 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 3hx7 h GLU 104 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3hx7 h GLU 104 CO 0.00 0.20 -0.63 0.87 -1.16 0.00 0.00 179.01 178.28 3hx7 h LYS 105 N 0.00 0.69 -0.30 2.33 1.57 -1.23 -0.64 116.57 118.99 3hx7 h LYS 105 Ca -0.00 -0.49 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 3hx7 h LYS 105 Cb 0.42 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3hx7 h LYS 105 CO 0.03 1.11 0.04 -0.22 -0.57 0.00 0.00 179.45 179.84 3hx7 h LYS 106 N 0.51 0.50 0.05 3.15 3.64 -0.62 -0.44 116.57 123.36 3hx7 h LYS 106 Ca -0.01 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3hx7 h LYS 106 Cb 1.22 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hx7 h LYS 106 CO 0.13 0.61 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.82 3hx7 h LEU 107 N 0.32 -0.06 -1.34 5.20 3.38 -1.10 -1.49 115.31 120.22 3hx7 h LEU 107 Ca 0.09 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.11 3hx7 h LEU 107 Cb 0.35 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3hx7 h LEU 107 CO 0.01 0.02 0.52 -1.13 0.09 0.00 0.00 178.44 177.95 3hx7 h ASN 108 N -0.13 0.65 -0.33 -0.43 -1.24 -0.95 0.90 115.58 114.06 3hx7 h ASN 108 Ca -0.01 0.02 -0.16 0.00 0.71 0.00 0.00 56.30 56.86 3hx7 h ASN 108 Cb 0.11 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 3hx7 h ASN 108 CO 0.01 0.38 -0.40 -0.61 -1.29 0.00 0.00 177.43 175.53 3hx7 h GLN 109 N 0.72 0.89 -0.63 6.67 5.75 -0.75 -0.98 115.11 126.78 3hx7 h GLN 109 Ca 0.37 -0.47 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 3hx7 h GLN 109 Cb 0.48 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 3hx7 h GLN 109 CO -0.15 1.12 0.13 0.00 -2.65 0.00 0.00 178.83 177.28 3hx7 h ALA 110 N 0.82 1.03 -0.53 3.38 0.00 -0.03 0.11 119.26 124.04 3hx7 h ALA 110 Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3hx7 h ALA 110 Cb 0.98 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3hx7 h ALA 110 CO 0.09 0.63 -0.07 -0.07 0.00 0.00 0.00 179.25 179.84 3hx7 h LEU 111 N 0.96 0.94 -0.39 0.00 3.38 -0.72 -0.98 115.31 118.50 3hx7 h LEU 111 Ca 0.20 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3hx7 h LEU 111 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hx7 h LEU 111 CO 0.01 1.03 -0.35 -0.07 0.09 0.00 0.00 178.44 179.15 3hx7 h LEU 112 N 0.86 0.98 -1.10 1.67 3.38 -0.79 -1.16 115.31 119.15 3hx7 h LEU 112 Ca 0.15 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hx7 h LEU 112 Cb 0.60 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3hx7 h LEU 112 CO 0.04 1.23 0.51 0.44 0.09 0.00 0.00 178.44 180.74 3hx7 h ASP 113 N 0.74 0.99 -0.29 -0.43 3.45 -0.59 -1.17 116.42 119.12 3hx7 h ASP 113 Ca 0.07 -0.05 -0.15 0.00 0.43 0.00 0.00 57.03 57.32 3hx7 h ASP 113 Cb 0.94 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 3hx7 h ASP 113 CO 0.09 0.76 -0.39 0.25 -1.57 0.00 0.00 179.24 178.38 3hx7 h LEU 114 N 1.14 0.90 -1.44 1.55 5.85 -0.96 -2.35 115.31 119.99 3hx7 h LEU 114 Ca 0.30 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3hx7 h LEU 114 Cb -0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3hx7 h LEU 114 CO -0.06 1.18 -0.13 -0.74 -0.34 0.00 0.00 178.44 178.35 3hx7 h HIS 115 N 0.69 0.21 -0.07 1.25 2.76 -0.73 -0.12 115.15 119.14 3hx7 h HIS 115 Ca 0.06 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3hx7 h HIS 115 Cb 0.96 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 3hx7 h HIS 115 CO 0.06 0.34 0.02 0.00 -1.30 0.00 0.00 177.93 177.04 3hx7 h ALA 116 N 1.68 0.10 -0.45 5.26 0.00 -0.85 -1.17 119.26 123.83 3hx7 h ALA 116 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hx7 h ALA 116 Cb 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hx7 h ALA 116 CO 0.02 -0.27 0.27 1.25 0.00 0.00 0.00 179.25 180.52 3hx7 h LEU 117 N -0.10 0.54 -0.81 0.00 5.85 -1.06 -1.24 115.31 118.48 3hx7 h LEU 117 Ca 0.02 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3hx7 h LEU 117 Cb 0.26 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3hx7 h LEU 117 CO 0.00 0.44 0.48 1.23 -0.34 0.00 0.00 178.44 180.24 3hx7 h GLY 118 N 0.59 1.25 1.11 3.75 0.00 -0.82 -0.29 103.07 108.67 3hx7 h GLY 118 Ca 0.16 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 3hx7 h GLY 118 CO -0.03 0.17 -0.17 1.76 0.00 0.00 0.00 176.54 178.26 3hx7 h SER 119 N 0.82 1.04 0.52 0.19 0.02 -0.80 0.96 113.55 116.30 3hx7 h SER 119 Ca 0.38 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3hx7 h SER 119 Cb 0.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3hx7 h SER 119 CO -0.22 1.18 -0.25 0.00 -1.14 0.00 0.00 176.83 176.40 3hx7 h ALA 120 N 0.90 1.24 -0.55 3.77 0.00 -0.39 -2.15 119.26 122.07 3hx7 h ALA 120 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hx7 h ALA 120 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hx7 h ALA 120 CO 0.06 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.16 3hx7 n ARG 121 N -3.73 3.81 -4.10 0.00 5.12 -0.20 -4.97 116.66 112.60 3hx7 n ARG 121 Ca -0.01 -2.88 -0.28 0.00 -1.93 0.00 0.00 57.85 52.75 3hx7 n ARG 121 Cb 0.35 -1.92 -0.05 0.00 -1.16 0.00 0.00 32.46 29.69 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 0.74 -2.24 -3.49 0.55 -2.24 -0.80 -4.93 114.28 101.87 3hx7 n THR 122 Ca 0.25 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 3hx7 n THR 122 Cb 0.92 -2.01 -0.04 0.00 -2.10 0.00 0.00 70.33 67.10 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 -4.35 6.44 0.50 3.42 -1.08 0.26 -4.92 116.67 116.96 3hx7 s ASP 123 Ca 0.03 -3.30 0.20 0.00 -0.52 0.00 0.00 52.55 48.96 3hx7 s ASP 123 Cb -0.01 -2.06 1.29 0.00 -1.46 0.00 0.00 42.92 40.67 3hx7 s ASP 123 CO 0.93 -0.34 2.09 1.55 0.52 0.00 0.00 175.17 179.92 3hx7 h PRO 124 N 6.79 0.00 -0.42 4.34 0.13 -1.92 -2.39 132.00 138.53 3hx7 h PRO 124 Ca 0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.13 3hx7 h PRO 124 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3hx7 h PRO 124 CO 0.85 0.10 -0.24 1.25 -0.23 0.00 0.00 178.00 179.73 3hx7 h HIS 125 N 0.00 0.99 0.42 1.56 -0.00 -1.96 -1.71 115.15 114.45 3hx7 h HIS 125 Ca -0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 60.37 60.11 3hx7 h HIS 125 Cb 0.19 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3hx7 h HIS 125 CO 0.00 1.01 -0.20 1.25 -0.00 0.00 0.00 177.93 179.99 3hx7 h LEU 126 N 0.75 -0.48 -0.31 0.26 5.85 -1.84 -1.20 115.31 118.33 3hx7 h LEU 126 Ca 0.10 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3hx7 h LEU 126 Cb 0.78 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 3hx7 h LEU 126 CO 0.06 -0.25 -0.12 0.00 -0.34 0.00 0.00 178.44 177.80 3hx7 h ASP 128 N -0.06 0.00 -0.12 0.00 3.58 -1.31 -1.41 116.42 117.10 3hx7 h ASP 128 Ca 0.16 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 3hx7 h ASP 128 Cb 0.30 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 3hx7 h ASP 128 CO -0.36 0.16 -0.09 0.15 -2.88 0.00 0.00 179.24 176.22 3hx7 h PHE 129 N 0.00 0.31 -0.40 0.28 3.04 0.34 -2.20 116.94 118.32 3hx7 h PHE 129 Ca -0.00 -0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.79 3hx7 h PHE 129 Cb 0.29 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 3hx7 h PHE 129 CO 0.00 0.65 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.83 3hx7 h LEU 130 N -0.12 0.63 -0.03 0.59 3.38 -0.57 -2.35 115.31 116.84 3hx7 h LEU 130 Ca 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3hx7 h LEU 130 Cb 0.59 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hx7 h LEU 130 CO 0.02 0.72 -0.08 -0.33 0.09 0.00 0.00 178.44 178.87 3hx7 h GLU 131 N 0.61 0.11 -0.53 1.13 5.08 -1.29 0.15 114.58 119.85 3hx7 h GLU 131 Ca 0.12 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3hx7 h GLU 131 Cb 0.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3hx7 h GLU 131 CO 0.02 0.68 0.13 1.15 -1.00 0.00 0.00 179.01 179.99 3hx7 h THR 132 N -0.44 1.22 -0.00 1.13 2.02 -1.33 -3.32 112.91 112.19 3hx7 h THR 132 Ca -0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3hx7 h THR 132 Cb 0.68 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3hx7 h THR 132 CO 0.02 0.29 -0.06 1.41 0.37 0.00 0.00 175.52 177.55 3hx7 n HIS 133 N -4.28 0.00 0.02 3.16 8.25 -0.89 -4.91 115.22 116.56 3hx7 n HIS 133 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3hx7 n HIS 133 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.71 -0.11 -0.01 4.41 3.72 -0.62 -4.75 117.46 119.38 3hx7 n PHE 134 Ca 0.01 0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 3hx7 n PHE 134 Cb 0.03 0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.10 -1.05 4.37 3.38 -1.11 -2.25 115.31 118.55 3hx7 h LEU 135 Ca 0.00 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hx7 h LEU 135 Cb 0.63 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hx7 h LEU 135 CO 0.00 -0.03 -0.41 -0.78 0.09 0.00 0.00 178.44 177.31 3hx7 h ASP 136 N 0.01 0.14 -0.75 -0.43 -0.00 -1.85 -2.75 116.42 110.79 3hx7 h ASP 136 Ca 0.06 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.03 56.98 3hx7 h ASP 136 Cb 0.09 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 39.35 3hx7 h ASP 136 CO -0.13 0.53 0.25 -0.33 -0.00 0.00 0.00 179.24 179.56 3hx7 h GLU 137 N 0.11 1.16 -0.15 0.28 4.39 -1.78 -2.13 114.58 116.46 3hx7 h GLU 137 Ca 0.01 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 3hx7 h GLU 137 Cb 0.77 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3hx7 h GLU 137 CO 0.06 0.98 -0.04 0.93 -1.16 0.00 0.00 179.01 179.77 3hx7 h GLU 138 N 1.11 0.29 -0.15 2.33 4.39 -1.27 -2.22 114.58 119.06 3hx7 h GLU 138 Ca 0.24 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 59.87 3hx7 h GLU 138 Cb 0.29 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3hx7 h GLU 138 CO -0.01 0.58 -0.10 0.28 -1.16 0.00 0.00 179.01 178.60 3hx7 h VAL 139 N -0.02 0.70 -0.79 3.13 2.07 -1.41 0.24 116.25 120.18 3hx7 h VAL 139 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3hx7 h VAL 139 Cb 0.47 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3hx7 h VAL 139 CO 0.02 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.22 3hx7 h LYS 140 N -0.10 1.05 -0.22 1.57 1.57 -1.40 -0.21 116.57 118.82 3hx7 h LYS 140 Ca 0.09 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3hx7 h LYS 140 Cb 0.23 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hx7 h LYS 140 CO -0.21 0.71 -0.48 1.25 -0.57 0.00 0.00 179.45 180.15 3hx7 h LEU 141 N 1.07 0.81 -0.53 2.94 5.85 -0.74 -0.74 115.31 123.97 3hx7 h LEU 141 Ca 0.29 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3hx7 h LEU 141 Cb -0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3hx7 h LEU 141 CO -0.06 1.21 0.20 0.40 -0.34 0.00 0.00 178.44 179.86 3hx7 h ILE 142 N 0.44 1.22 -0.82 4.05 2.04 -0.08 0.23 117.51 124.59 3hx7 h ILE 142 Ca 0.00 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3hx7 h ILE 142 Cb 1.08 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3hx7 h ILE 142 CO 0.11 0.26 0.46 0.50 0.00 0.00 0.00 178.15 179.48 3hx7 h LYS 143 N 0.72 1.14 -0.69 2.37 1.63 -1.00 0.22 116.57 120.96 3hx7 h LYS 143 Ca 0.18 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.80 3hx7 h LYS 143 Cb 0.21 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 3hx7 h LYS 143 CO -0.01 0.83 0.21 -0.22 -3.45 0.00 0.00 179.45 176.81 3hx7 h LYS 144 N 1.14 1.07 -0.43 1.90 3.64 -0.62 -1.65 116.57 121.62 3hx7 h LYS 144 Ca 0.29 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 3hx7 h LYS 144 Cb 0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3hx7 h LYS 144 CO -0.05 0.92 -0.16 0.52 -2.27 0.00 0.00 179.45 178.41 3hx7 h MET 145 N 1.01 0.86 -0.42 1.90 2.86 -0.19 -2.39 114.93 118.56 3hx7 h MET 145 Ca 0.22 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3hx7 h MET 145 Cb 0.30 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3hx7 h MET 145 CO -0.01 1.00 0.20 0.78 1.06 0.00 0.00 176.91 179.94 3hx7 h GLY 146 N 0.68 0.57 0.43 8.32 0.00 -0.37 -0.87 103.07 111.84 3hx7 h GLY 146 Ca 0.10 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.33 3hx7 h GLY 146 CO 0.05 0.10 -0.16 -0.55 0.00 0.00 0.00 176.54 175.98 3hx7 h ASP 147 N 0.41 -0.51 -0.43 0.19 5.19 -1.15 -1.41 116.42 118.72 3hx7 h ASP 147 Ca 0.18 0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.74 3hx7 h ASP 147 Cb 0.09 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.79 3hx7 h ASP 147 CO -0.13 -0.21 0.12 0.45 -3.12 0.00 0.00 179.24 176.35 3hx7 h HIS 148 N -0.20 0.21 -0.95 4.55 3.86 -0.88 -1.31 115.15 120.43 3hx7 h HIS 148 Ca 0.10 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 3hx7 h HIS 148 Cb 0.34 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 3hx7 h HIS 148 CO -0.28 0.06 0.62 -0.07 0.86 0.00 0.00 177.93 179.11 3hx7 h LEU 149 N 0.27 0.96 -0.20 2.43 3.38 -0.67 0.14 115.31 121.62 3hx7 h LEU 149 Ca 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3hx7 h LEU 149 Cb 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hx7 h LEU 149 CO -0.23 0.61 0.03 0.74 0.09 0.00 0.00 178.44 179.68 3hx7 h THR 150 N 1.09 1.23 -0.09 0.22 2.02 -0.25 -1.49 112.91 115.63 3hx7 h THR 150 Ca 0.41 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 3hx7 h THR 150 Cb 0.21 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3hx7 h THR 150 CO -0.16 0.23 -0.35 0.78 0.37 0.00 0.00 175.52 176.39 3hx7 h ASN 151 N 0.13 0.19 -0.37 4.18 2.35 -0.62 -2.55 115.58 118.89 3hx7 h ASN 151 Ca 0.06 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 3hx7 h ASN 151 Cb 0.32 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3hx7 h ASN 151 CO 0.00 0.53 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.88 3hx7 h LEU 152 N 0.16 0.96 -1.05 1.61 3.38 -0.57 -2.93 115.31 116.86 3hx7 h LEU 152 Ca 0.02 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3hx7 h LEU 152 Cb 0.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3hx7 h LEU 152 CO 0.05 1.23 0.11 -0.74 0.09 0.00 0.00 178.44 179.18 3hx7 h HIS 153 N 0.71 0.81 0.00 1.13 2.76 -1.18 -2.47 115.15 116.91 3hx7 h HIS 153 Ca 0.06 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 3hx7 h HIS 153 Cb 0.96 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 3hx7 h HIS 153 CO 0.07 0.69 -0.07 -0.09 -1.30 0.00 0.00 177.93 177.23 3hx7 h ARG 154 N 0.75 0.00 -0.50 5.26 2.43 -1.30 -3.06 114.38 117.96 3hx7 h ARG 154 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hx7 h ARG 154 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3hx7 h ARG 154 CO 0.00 0.07 0.00 1.28 -1.51 0.00 0.00 179.97 179.81 3hx7 n LEU 155 N -3.34 0.50 -0.00 3.80 4.77 -0.93 -3.82 117.00 117.97 3hx7 n LEU 155 Ca -0.01 -0.25 -0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3hx7 n LEU 155 Cb 0.24 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3hx7 n LEU 155 CO 0.27 0.12 -0.01 1.23 -1.33 0.00 0.00 177.39 177.68 3hx7 h GLY 156 N 4.80 0.00 0.00 -0.72 0.00 -1.73 -3.46 103.07 101.96 3hx7 h GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hx7 h GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3hx7 n GLY 157 N 1.89 0.73 0.41 4.60 0.00 -1.26 -4.94 105.19 106.62 3hx7 n GLY 157 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3hx7 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx7 h PRO 158 N 0.00 -0.49 -1.13 1.61 0.13 -1.97 -3.13 132.00 127.02 3hx7 h PRO 158 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3hx7 h PRO 158 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 3hx7 h PRO 158 CO 0.00 -0.33 0.00 0.39 -0.23 0.00 0.00 178.00 177.83 3hx7 n GLU 159 N -5.44 0.62 0.00 0.86 1.02 -1.26 -5.14 120.64 111.31 3hx7 n GLU 159 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hx7 n GLU 159 Cb 0.37 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31