#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 7.06 0.69 7.83 0.15 -1.26 -5.01 113.70 123.16 3hx7 s SER 2 Ca 0.00 2.27 -0.17 0.00 0.70 0.00 0.00 55.95 58.75 3hx7 s SER 2 Cb 0.00 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 3hx7 s SER 2 CO 0.00 -0.39 0.93 -0.24 1.20 0.00 0.00 173.24 174.74 3hx7 n SER 3 N 2.45 0.42 -0.36 5.45 2.88 -1.26 -4.94 113.62 118.26 3hx7 n SER 3 Ca 0.04 0.70 -0.00 0.00 -1.33 0.00 0.00 58.87 58.28 3hx7 n SER 3 Cb 0.44 -1.39 0.14 0.00 -0.75 0.00 0.00 64.21 62.66 3hx7 n SER 3 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hx7 h GLN 4 N -0.06 1.25 0.00 -1.46 4.15 -1.94 -2.92 115.11 114.13 3hx7 h GLN 4 Ca -0.48 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.87 3hx7 h GLN 4 Cb 1.34 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.75 3hx7 h GLN 4 CO 0.48 0.83 -0.87 0.44 -1.93 0.00 0.00 178.83 177.77 3hx7 n ILE 5 N -4.42 0.12 -1.67 2.39 -5.35 -1.26 -4.99 119.36 104.18 3hx7 n ILE 5 Ca 0.13 -0.16 -0.49 0.00 -0.27 0.00 0.00 62.75 61.96 3hx7 n ILE 5 Cb 0.06 0.29 -0.05 0.00 -1.74 0.00 0.00 39.64 38.21 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 -1.81 1.93 -3.66 6.28 0.63 -1.11 -4.87 116.66 114.06 3hx7 n ARG 6 Ca 0.03 0.70 -0.08 0.00 -0.92 0.00 0.00 57.85 57.59 3hx7 n ARG 6 Cb 0.40 -2.48 -0.09 0.00 0.45 0.00 0.00 32.46 30.74 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 2.67 0.36 -1.27 -0.14 0.74 -1.26 -4.91 119.66 115.85 3hx7 s GLN 7 Ca 0.88 1.08 -0.08 0.00 0.05 0.00 0.00 55.36 57.30 3hx7 s GLN 7 Cb -0.77 0.38 0.01 0.00 1.10 0.00 0.00 33.01 33.73 3hx7 s GLN 7 CO 0.49 -0.24 1.10 -1.71 -0.55 0.00 0.00 175.29 174.38 3hx7 n ASN 8 N 5.33 -5.71 -3.96 6.67 5.15 -1.26 -4.97 115.26 116.51 3hx7 n ASN 8 Ca -0.10 -0.52 -0.31 0.00 -0.60 0.00 0.00 54.58 53.06 3hx7 n ASN 8 Cb 0.50 -4.79 -0.15 0.00 -0.53 0.00 0.00 39.78 34.80 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 -3.31 2.82 0.57 1.20 5.04 -1.26 -4.84 117.35 117.57 3hx7 s TYR 9 Ca 0.50 -2.18 -0.17 0.00 -2.44 0.00 0.00 57.07 52.78 3hx7 s TYR 9 Cb -0.22 -2.00 -0.05 0.00 0.35 0.00 0.00 41.96 40.05 3hx7 s TYR 9 CO 0.69 -0.85 1.05 -1.54 -1.34 0.00 0.00 175.55 173.55 3hx7 s SER 10 N 1.24 5.99 0.34 4.32 1.04 -1.26 -4.95 113.70 120.42 3hx7 s SER 10 Ca -0.00 1.80 0.11 0.00 0.48 0.00 0.00 55.95 58.34 3hx7 s SER 10 Cb -0.19 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 64.02 3hx7 s SER 10 CO -0.09 -1.03 1.77 0.71 0.98 0.00 0.00 173.24 175.59 3hx7 h THR 11 N 0.69 1.30 -0.33 2.02 1.35 -1.99 -2.40 112.91 113.55 3hx7 h THR 11 Ca -0.47 -1.45 -0.03 0.00 -0.55 0.00 0.00 66.41 63.91 3hx7 h THR 11 Cb 1.22 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 3hx7 h THR 11 CO 0.58 0.42 0.07 0.44 -0.25 0.00 0.00 175.52 176.78 3hx7 h ASP 12 N 0.03 0.51 0.09 5.36 3.45 -1.99 -0.52 116.42 123.35 3hx7 h ASP 12 Ca -0.00 -0.24 -0.00 0.00 0.43 0.00 0.00 57.03 57.22 3hx7 h ASP 12 Cb 0.75 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 3hx7 h ASP 12 CO 0.06 0.61 -0.04 0.58 -1.57 0.00 0.00 179.24 178.88 3hx7 h VAL 13 N 0.38 0.93 -0.26 -1.35 2.07 -1.90 -0.97 116.25 115.15 3hx7 h VAL 13 Ca 0.10 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3hx7 h VAL 13 Cb 0.31 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3hx7 h VAL 13 CO 0.00 0.02 -0.19 -0.08 0.02 0.00 0.00 177.57 177.34 3hx7 h GLU 14 N -0.15 -0.17 0.00 1.57 4.81 -1.30 0.24 114.58 119.59 3hx7 h GLU 14 Ca -0.01 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3hx7 h GLU 14 Cb 0.12 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3hx7 h GLU 14 CO 0.02 -0.12 -0.17 0.00 -0.73 0.00 0.00 179.01 178.01 3hx7 h ALA 15 N 0.96 1.50 0.01 2.92 0.00 -0.98 -1.29 119.26 122.38 3hx7 h ALA 15 Ca 0.14 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 3hx7 h ALA 15 Cb 0.40 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hx7 h ALA 15 CO -0.37 0.22 -1.02 0.00 0.00 0.00 0.00 179.25 178.08 3hx7 h ALA 16 N 1.83 0.22 -0.35 0.00 0.00 0.46 -2.26 119.26 119.17 3hx7 h ALA 16 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 3hx7 h ALA 16 Cb 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hx7 h ALA 16 CO 0.02 0.75 0.10 0.28 0.00 0.00 0.00 179.25 180.40 3hx7 h VAL 17 N 0.31 1.22 -0.77 0.00 2.07 -0.23 0.29 116.25 119.13 3hx7 h VAL 17 Ca -0.11 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hx7 h VAL 17 Cb 1.66 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 3hx7 h VAL 17 CO 0.19 0.24 0.48 0.78 0.02 0.00 0.00 177.57 179.28 3hx7 h ASN 18 N 0.41 0.90 0.58 0.57 2.35 -1.27 0.78 115.58 119.89 3hx7 h ASN 18 Ca 0.11 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 3hx7 h ASN 18 Cb 0.27 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3hx7 h ASN 18 CO -0.00 0.68 -0.62 -1.28 -1.65 0.00 0.00 177.43 174.55 3hx7 h SER 19 N 1.05 0.04 -0.13 5.81 0.87 -0.99 -2.51 113.55 117.70 3hx7 h SER 19 Ca 0.28 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 3hx7 h SER 19 Cb -0.08 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3hx7 h SER 19 CO -0.06 0.66 -0.27 0.25 -0.53 0.00 0.00 176.83 176.88 3hx7 h LEU 20 N 0.03 0.46 -0.60 2.23 5.85 0.61 -2.49 115.31 121.39 3hx7 h LEU 20 Ca -0.01 -0.57 0.11 0.00 0.84 0.00 0.00 57.88 58.26 3hx7 h LEU 20 Cb 1.11 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 3hx7 h LEU 20 CO 0.08 0.94 0.11 0.58 -0.34 0.00 0.00 178.44 179.81 3hx7 h VAL 21 N -0.00 0.62 -0.43 1.05 2.07 -0.80 0.16 116.25 118.91 3hx7 h VAL 21 Ca 0.00 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3hx7 h VAL 21 Cb 0.87 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3hx7 h VAL 21 CO 0.06 0.04 0.24 -1.13 0.02 0.00 0.00 177.57 176.80 3hx7 h ASN 22 N 0.23 0.37 -0.87 0.57 -0.73 -1.39 0.12 115.58 113.87 3hx7 h ASN 22 Ca 0.31 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.55 3hx7 h ASN 22 Cb 0.48 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.95 3hx7 h ASN 22 CO -0.42 0.26 0.54 0.25 -0.37 0.00 0.00 177.43 177.69 3hx7 h LEU 23 N 0.48 0.86 -0.46 0.34 5.85 -0.39 -0.73 115.31 121.27 3hx7 h LEU 23 Ca 0.18 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 3hx7 h LEU 23 Cb 0.05 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hx7 h LEU 23 CO -0.11 0.56 -0.36 1.88 -0.34 0.00 0.00 178.44 180.08 3hx7 h TYR 24 N 1.00 1.06 -0.72 1.25 -1.99 -0.27 -1.22 116.97 116.08 3hx7 h TYR 24 Ca 0.37 -0.31 0.02 0.00 2.00 0.00 0.00 58.73 60.81 3hx7 h TYR 24 Cb 0.14 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 3hx7 h TYR 24 CO -0.03 1.11 0.48 -0.07 -0.00 0.00 0.00 178.16 179.65 3hx7 h LEU 25 N 0.74 0.80 -0.46 3.88 3.38 0.19 0.15 115.31 123.99 3hx7 h LEU 25 Ca 0.07 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3hx7 h LEU 25 Cb 0.94 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hx7 h LEU 25 CO 0.09 0.57 -0.50 -0.61 0.09 0.00 0.00 178.44 178.08 3hx7 h GLN 26 N 0.94 0.72 0.13 1.13 4.15 -0.91 -1.38 115.11 119.90 3hx7 h GLN 26 Ca 0.27 -0.43 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 3hx7 h GLN 26 Cb -0.06 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3hx7 h GLN 26 CO -0.07 1.05 -0.06 0.00 -1.93 0.00 0.00 178.83 177.82 3hx7 h ALA 27 N 0.87 -0.18 -0.67 3.38 0.00 -0.21 -0.71 119.26 121.74 3hx7 h ALA 27 Ca 0.02 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.97 3hx7 h ALA 27 Cb 1.06 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 3hx7 h ALA 27 CO 0.10 -0.53 0.17 1.03 0.00 0.00 0.00 179.25 180.03 3hx7 h SER 28 N -0.32 0.06 -0.10 0.00 0.87 -0.67 -1.01 113.55 112.38 3hx7 h SER 28 Ca -0.02 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3hx7 h SER 28 Cb 0.25 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3hx7 h SER 28 CO 0.03 0.01 0.06 0.22 -0.53 0.00 0.00 176.83 176.62 3hx7 h TYR 29 N 0.30 0.13 -0.46 2.24 3.20 -0.92 -1.85 116.97 119.61 3hx7 h TYR 29 Ca 0.37 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.27 3hx7 h TYR 29 Cb 0.57 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3hx7 h TYR 29 CO -0.24 0.13 0.23 1.15 -1.64 0.00 0.00 178.16 177.79 3hx7 h THR 30 N 0.10 0.98 -0.51 1.81 2.02 0.02 -1.61 112.91 115.71 3hx7 h THR 30 Ca 0.04 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3hx7 h THR 30 Cb 0.03 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3hx7 h THR 30 CO -0.01 0.09 0.21 1.88 0.37 0.00 0.00 175.52 178.06 3hx7 h TYR 31 N 0.47 0.73 -0.45 3.16 0.05 -1.07 -0.53 116.97 119.34 3hx7 h TYR 31 Ca 0.20 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 3hx7 h TYR 31 Cb 0.09 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3hx7 h TYR 31 CO -0.10 0.57 0.28 1.25 -1.05 0.00 0.00 178.16 179.10 3hx7 h LEU 32 N 0.73 0.53 -0.73 3.88 5.85 -0.45 0.38 115.31 125.50 3hx7 h LEU 32 Ca 0.18 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3hx7 h LEU 32 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3hx7 h LEU 32 CO -0.02 0.42 0.36 -1.28 -0.34 0.00 0.00 178.44 177.59 3hx7 h SER 33 N 0.60 0.94 0.03 1.25 0.87 -0.75 -1.87 113.55 114.62 3hx7 h SER 33 Ca 0.16 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3hx7 h SER 33 Cb -0.02 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3hx7 h SER 33 CO -0.03 0.80 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.99 3hx7 h LEU 34 N 1.02 -0.03 -0.06 2.23 3.38 -0.64 -1.97 115.31 119.24 3hx7 h LEU 34 Ca 0.25 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3hx7 h LEU 34 Cb 0.10 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3hx7 h LEU 34 CO -0.03 0.05 -0.39 1.23 0.09 0.00 0.00 178.44 179.39 3hx7 h GLY 35 N -0.11 -0.66 2.00 0.83 0.00 0.10 -1.69 103.07 103.54 3hx7 h GLY 35 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3hx7 h GLY 35 CO 0.01 -0.24 0.00 0.74 0.00 0.00 0.00 176.54 177.05 3hx7 h PHE 36 N -0.51 0.00 -0.28 5.60 -1.00 -1.35 -2.81 116.94 116.58 3hx7 h PHE 36 Ca 0.07 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 3hx7 h PHE 36 Cb 0.61 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 3hx7 h PHE 36 CO -0.42 0.00 0.03 -0.92 -1.61 0.00 0.00 178.31 175.38 3hx7 h TYR 37 N 0.00 0.51 0.00 -0.55 3.20 -0.51 -2.35 116.97 117.28 3hx7 h TYR 37 Ca 0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3hx7 h TYR 37 Cb 0.42 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3hx7 h TYR 37 CO 0.00 0.60 0.00 1.19 -1.64 0.00 0.00 178.16 178.31 3hx7 n PHE 38 N -4.63 0.00 0.71 -3.82 3.72 -1.04 -2.31 117.46 110.10 3hx7 n PHE 38 Ca -0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 3hx7 n PHE 38 Cb 0.23 -0.50 0.31 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.50 0.60 -4.66 4.37 4.64 -0.90 -1.79 116.55 117.32 3hx7 n ASP 39 Ca 0.05 0.25 -0.39 0.00 -1.38 0.00 0.00 54.79 53.33 3hx7 n ASP 39 Cb 0.24 -0.20 0.04 0.00 -1.04 0.00 0.00 41.12 40.17 3hx7 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx7 n ARG 40 N -1.98 1.26 0.23 -0.67 1.74 -0.98 -4.66 116.66 111.60 3hx7 n ARG 40 Ca 0.05 0.47 0.07 0.00 -0.77 0.00 0.00 57.85 57.67 3hx7 n ARG 40 Cb 0.41 -2.31 0.54 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.99 0.00 -0.04 0.55 2.03 -1.90 0.14 116.42 118.18 3hx7 h ASP 41 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 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 0.22 0.00 -0.90 -1.03 0.00 0.00 179.24 178.07 3hx7 n ASP 42 N -3.98 0.68 0.06 4.15 3.85 -1.26 -4.27 116.55 115.79 3hx7 n ASP 42 Ca -0.02 -1.39 0.00 0.00 -0.71 0.00 0.00 54.79 52.67 3hx7 n ASP 42 Cb 0.30 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.40 0.92 -3.33 2.12 0.31 -0.96 -5.10 118.33 111.89 3hx7 n VAL 43 Ca 0.18 0.31 -0.20 0.00 -0.01 0.00 0.00 64.34 64.62 3hx7 n VAL 43 Cb 0.20 -1.41 0.01 0.00 -0.91 0.00 0.00 33.84 31.73 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 -3.43 -2.65 -3.41 3.52 0.00 0.44 -4.98 120.51 109.99 3hx7 n ALA 44 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.49 3hx7 n ALA 44 Cb 0.05 -2.07 -0.09 0.00 0.00 0.00 0.00 19.45 17.34 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 -1.18 0.47 -0.29 0.00 4.77 -0.74 -5.00 117.00 115.03 3hx7 n LEU 45 Ca -0.08 -4.65 -0.06 0.00 -0.03 0.00 0.00 56.01 51.19 3hx7 n LEU 45 Cb 0.60 0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 3hx7 n LEU 45 CO 0.55 1.91 0.57 -0.08 -1.33 0.00 0.00 177.39 179.02 3hx7 h GLU 46 N 5.08 -0.11 -0.66 3.23 4.81 -1.94 0.48 114.58 125.47 3hx7 h GLU 46 Ca 0.20 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.55 3hx7 h GLU 46 Cb 0.86 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.18 3hx7 h GLU 46 CO 0.47 -0.07 0.22 0.78 -0.73 0.00 0.00 179.01 179.68 3hx7 h GLY 47 N -0.12 0.94 0.95 1.92 0.00 -1.96 0.42 103.07 105.21 3hx7 h GLY 47 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 3hx7 h GLY 47 CO -0.82 -0.08 -0.16 -2.08 0.00 0.00 0.00 176.54 173.41 3hx7 h VAL 48 N 0.38 1.29 0.16 4.60 2.07 -1.59 -0.68 116.25 122.47 3hx7 h VAL 48 Ca 0.35 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.61 3hx7 h VAL 48 Cb 0.50 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3hx7 h VAL 48 CO -0.37 0.41 -0.21 -1.28 0.02 0.00 0.00 177.57 176.14 3hx7 h SER 49 N 0.45 -0.56 -0.62 0.57 0.87 0.18 -1.52 113.55 112.92 3hx7 h SER 49 Ca 0.07 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3hx7 h SER 49 Cb 0.69 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.78 3hx7 h SER 49 CO 0.05 -0.30 0.27 -0.74 -0.53 0.00 0.00 176.83 175.58 3hx7 h HIS 50 N -0.42 0.48 -0.24 2.24 6.17 -0.15 -1.70 115.15 121.52 3hx7 h HIS 50 Ca 0.01 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.18 3hx7 h HIS 50 Cb 0.41 -0.12 -0.07 0.00 2.52 0.00 0.00 27.41 30.15 3hx7 h HIS 50 CO -0.17 0.16 -0.29 0.35 0.71 0.00 0.00 177.93 178.68 3hx7 h PHE 51 N 0.48 -0.79 -0.06 5.26 3.57 -0.18 -1.61 116.94 123.61 3hx7 h PHE 51 Ca 0.31 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.74 3hx7 h PHE 51 Cb 0.34 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3hx7 h PHE 51 CO -0.14 -0.36 -0.47 0.74 -2.23 0.00 0.00 178.31 175.84 3hx7 h PHE 52 N -0.30 0.18 -0.64 0.41 0.05 -0.87 -2.78 116.94 112.99 3hx7 h PHE 52 Ca 0.13 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.81 3hx7 h PHE 52 Cb 0.51 -0.04 -0.03 0.00 2.00 0.00 0.00 35.95 38.39 3hx7 h PHE 52 CO -0.43 0.60 0.18 0.00 -0.18 0.00 0.00 178.31 178.48 3hx7 h ARG 53 N 0.12 0.98 -0.25 1.51 3.08 -0.61 -0.62 114.38 118.58 3hx7 h ARG 53 Ca 0.01 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 3hx7 h ARG 53 Cb 0.89 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3hx7 h ARG 53 CO 0.07 0.85 -0.19 0.93 -1.07 0.00 0.00 179.97 180.57 3hx7 h GLU 54 N 0.95 0.45 -0.46 0.04 5.08 -1.14 -2.25 114.58 117.24 3hx7 h GLU 54 Ca 0.21 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3hx7 h GLU 54 Cb 0.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3hx7 h GLU 54 CO -0.01 0.62 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.49 3hx7 h LEU 55 N 0.41 0.79 -0.62 1.33 3.38 -1.00 -0.51 115.31 119.08 3hx7 h LEU 55 Ca 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hx7 h LEU 55 Cb 0.56 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3hx7 h LEU 55 CO 0.04 0.89 0.30 0.00 0.09 0.00 0.00 178.44 179.76 3hx7 h ALA 56 N 1.19 0.80 0.00 1.53 0.00 -0.67 -1.11 119.26 121.00 3hx7 h ALA 56 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hx7 h ALA 56 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hx7 h ALA 56 CO 0.03 0.36 -0.26 1.49 0.00 0.00 0.00 179.25 180.87 3hx7 h GLU 57 N 0.85 0.00 0.04 0.00 4.57 -0.87 -1.25 114.58 117.92 3hx7 h GLU 57 Ca 0.21 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.15 3hx7 h GLU 57 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3hx7 h GLU 57 CO -0.03 0.26 -1.03 0.93 -1.18 0.00 0.00 179.01 177.96 3hx7 h GLU 58 N 0.00 0.35 -0.18 1.92 5.08 -0.29 -2.67 114.58 118.79 3hx7 h GLU 58 Ca -0.00 -0.43 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 3hx7 h GLU 58 Cb 0.54 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3hx7 h GLU 58 CO 0.03 1.13 -0.51 0.87 -1.00 0.00 0.00 179.01 179.53 3hx7 h LYS 59 N 0.17 0.51 -0.37 2.33 1.79 -0.82 -1.68 116.57 118.50 3hx7 h LYS 59 Ca -0.10 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3hx7 h LYS 59 Cb 1.70 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.36 3hx7 h LYS 59 CO 0.17 0.90 0.23 -0.09 -1.08 0.00 0.00 179.45 179.58 3hx7 h ARG 60 N 0.40 0.50 0.00 3.15 2.43 -1.25 0.20 114.38 119.81 3hx7 h ARG 60 Ca 0.02 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3hx7 h ARG 60 Cb 1.03 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3hx7 h ARG 60 CO 0.09 0.38 -0.13 0.93 -1.51 0.00 0.00 179.97 179.73 3hx7 h GLU 61 N 0.49 0.00 0.69 0.20 5.08 -1.33 -1.31 114.58 118.41 3hx7 h GLU 61 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3hx7 h GLU 61 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3hx7 h GLU 61 CO -0.03 0.13 -0.33 0.78 -1.00 0.00 0.00 179.01 178.56 3hx7 h GLY 62 N 0.46 -0.97 1.75 -3.84 0.00 0.28 -0.87 103.07 99.88 3hx7 h GLY 62 Ca -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 3hx7 h GLY 62 CO 0.02 -0.35 0.02 0.10 0.00 0.00 0.00 176.54 176.32 3hx7 h TYR 63 N -0.98 0.32 -0.43 5.60 -0.00 -0.89 -1.63 116.97 118.95 3hx7 h TYR 63 Ca -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.60 3hx7 h TYR 63 Cb 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 37.33 3hx7 h TYR 63 CO 0.06 0.32 0.20 0.93 -0.00 0.00 0.00 178.16 179.67 3hx7 h GLU 64 N 0.32 0.63 -0.53 0.10 5.08 -1.22 0.28 114.58 119.24 3hx7 h GLU 64 Ca 0.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hx7 h GLU 64 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3hx7 h GLU 64 CO 0.00 0.55 0.23 -0.09 -1.00 0.00 0.00 179.01 178.71 3hx7 h ARG 65 N 0.56 0.75 0.43 2.33 2.43 -0.52 0.13 114.38 120.48 3hx7 h ARG 65 Ca 0.15 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3hx7 h ARG 65 Cb 0.14 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3hx7 h ARG 65 CO -0.02 0.60 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.77 3hx7 h LEU 66 N 0.75 -0.48 -0.84 3.80 3.38 -0.49 -1.87 115.31 119.55 3hx7 h LEU 66 Ca 0.18 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3hx7 h LEU 66 Cb 0.11 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3hx7 h LEU 66 CO -0.02 -0.17 0.51 -0.07 0.09 0.00 0.00 178.44 178.78 3hx7 h LEU 67 N -0.82 0.79 -0.52 1.67 3.38 -0.63 0.91 115.31 120.09 3hx7 h LEU 67 Ca -0.06 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hx7 h LEU 67 Cb 0.55 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3hx7 h LEU 67 CO 0.10 0.50 0.27 0.50 0.09 0.00 0.00 178.44 179.90 3hx7 h LYS 68 N 0.92 0.52 -0.23 1.13 1.63 -0.70 -0.71 116.57 119.13 3hx7 h LYS 68 Ca 0.37 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.11 3hx7 h LYS 68 Cb 0.20 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3hx7 h LYS 68 CO -0.18 0.34 0.01 1.98 -3.45 0.00 0.00 179.45 178.15 3hx7 h MET 69 N 0.53 0.40 -0.77 1.90 4.05 -0.16 -2.04 114.93 118.83 3hx7 h MET 69 Ca 0.23 -0.12 0.15 0.00 -0.28 0.00 0.00 59.70 59.68 3hx7 h MET 69 Cb 0.12 -0.04 -0.15 0.00 -0.80 0.00 0.00 31.60 30.73 3hx7 h MET 69 CO -0.15 0.57 -0.20 0.37 0.23 0.00 0.00 176.91 177.73 3hx7 h GLN 70 N 0.17 -0.01 -0.13 0.39 5.75 0.18 -0.28 115.11 121.18 3hx7 h GLN 70 Ca 0.07 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.39 3hx7 h GLN 70 Cb 0.38 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 3hx7 h GLN 70 CO 0.01 -0.00 -0.64 -0.91 -2.65 0.00 0.00 178.83 174.64 3hx7 h ASN 71 N -0.01 0.57 0.07 -0.69 2.35 -0.95 -0.94 115.58 115.98 3hx7 h ASN 71 Ca 0.37 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3hx7 h ASN 71 Cb 0.56 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3hx7 h ASN 71 CO -0.79 1.06 -0.02 1.56 -1.65 0.00 0.00 177.43 177.59 3hx7 h GLN 72 N 0.36 0.00 0.00 0.81 4.20 -0.35 -2.11 115.11 118.02 3hx7 h GLN 72 Ca -0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3hx7 h GLN 72 Cb 1.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 3hx7 h GLN 72 CO 0.12 0.02 -1.47 0.54 -0.67 0.00 0.00 178.83 177.36 3hx7 n ARG 73 N -3.71 0.63 0.00 1.46 5.12 -0.64 -4.97 116.66 114.55 3hx7 n ARG 73 Ca -0.03 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3hx7 n ARG 73 Cb 0.11 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 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 1.33 1.16 3.95 -0.13 0.00 -0.79 -3.93 105.19 106.77 3hx7 n GLY 74 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.78 1.76 -0.12 -0.02 0.00 -0.38 -4.59 107.32 102.19 3hx7 s GLY 75 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 44.72 43.40 3hx7 s GLY 75 CO 0.00 -0.64 -0.08 0.50 0.00 0.00 0.00 173.10 172.88 3hx7 s ARG 76 N -5.63 1.62 0.33 2.90 1.81 -1.26 -4.37 118.95 114.34 3hx7 s ARG 76 Ca 0.70 -0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 54.13 3hx7 s ARG 76 Cb -0.05 -1.64 -0.11 0.00 -0.45 0.00 0.00 34.95 32.71 3hx7 s ARG 76 CO 0.50 -0.25 1.47 0.00 -0.68 0.00 0.00 175.30 176.34 3hx7 s ALA 77 N 1.65 3.61 -0.24 2.13 0.00 -1.26 -4.99 121.76 122.65 3hx7 s ALA 77 Ca 0.04 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 3hx7 s ALA 77 Cb -0.13 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.48 3hx7 s ALA 77 CO -0.08 -0.92 0.07 -0.51 0.00 0.00 0.00 175.76 174.32 3hx7 s LEU 78 N -1.41 1.34 0.60 0.00 1.43 -1.26 -5.14 118.68 114.23 3hx7 s LEU 78 Ca 0.55 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 3hx7 s LEU 78 Cb -0.45 -0.62 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 3hx7 s LEU 78 CO 0.55 -0.36 0.94 -0.36 0.23 0.00 0.00 176.35 177.34 3hx7 s PHE 79 N 1.84 3.36 0.24 0.29 0.08 -1.26 -4.87 117.98 117.66 3hx7 s PHE 79 Ca 0.04 0.82 -0.05 0.00 0.12 0.00 0.00 56.93 57.86 3hx7 s PHE 79 Cb -0.17 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.53 3hx7 s PHE 79 CO -0.18 -0.79 0.30 -0.65 -0.10 0.00 0.00 175.22 173.80 3hx7 s GLN 80 N -5.04 1.44 0.47 0.44 -1.52 -1.26 -5.13 119.66 109.06 3hx7 s GLN 80 Ca 0.54 -1.54 -0.25 0.00 -1.95 0.00 0.00 55.36 52.16 3hx7 s GLN 80 Cb -0.11 0.36 -0.08 0.00 -0.22 0.00 0.00 33.01 32.97 3hx7 s GLN 80 CO 0.47 -0.54 1.42 -0.51 -0.25 0.00 0.00 175.29 175.88 3hx7 s ASP 81 N -3.14 5.77 -0.39 5.90 -0.00 -1.26 -4.94 116.67 118.61 3hx7 s ASP 81 Ca 0.32 2.90 -0.15 0.00 -0.00 0.00 0.00 52.55 55.62 3hx7 s ASP 81 Cb 0.03 -2.65 0.01 0.00 -0.00 0.00 0.00 42.92 40.31 3hx7 s ASP 81 CO 0.13 -1.25 0.34 -0.63 -0.00 0.00 0.00 175.17 173.76 3hx7 s ILE 82 N -1.22 5.20 0.25 0.77 1.01 -1.26 -5.05 121.20 120.90 3hx7 s ILE 82 Ca 0.63 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 3hx7 s ILE 82 Cb -0.43 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 3hx7 s ILE 82 CO 0.55 -0.25 1.41 -0.75 0.00 0.00 0.00 174.94 175.90 3hx7 s LYS 83 N 1.87 4.29 0.65 2.79 2.20 -1.26 -4.99 119.74 125.28 3hx7 s LYS 83 Ca 0.08 2.27 -0.16 0.00 -0.36 0.00 0.00 55.97 57.80 3hx7 s LYS 83 Cb -0.18 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3hx7 s LYS 83 CO 0.11 -0.38 1.14 -1.59 -0.36 0.00 0.00 175.35 174.27 3hx7 s LYS 84 N -0.44 2.79 0.39 4.03 -2.85 -1.26 -4.84 119.74 117.56 3hx7 s LYS 84 Ca 0.58 1.53 -0.23 0.00 -1.00 0.00 0.00 55.97 56.85 3hx7 s LYS 84 Cb -0.41 -1.94 -0.13 0.00 -2.06 0.00 0.00 37.83 33.29 3hx7 s LYS 84 CO 0.43 -1.28 0.61 -2.30 0.10 0.00 0.00 175.35 172.91 3hx7 n PRO 85 N -2.20 0.64 0.00 1.78 -0.02 -1.26 -4.84 135.00 129.10 3hx7 n PRO 85 Ca 0.11 0.23 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 3hx7 n PRO 85 Cb 0.51 -1.53 0.36 0.00 -0.02 0.00 0.00 33.50 32.82 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 -0.69 1.79 -2.17 3.55 0.00 -1.26 -4.77 120.51 116.96 3hx7 n ALA 86 Ca 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 3hx7 n ALA 86 Cb 0.38 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.69 0.66 -0.15 0.00 0.41 -1.26 -5.03 118.70 110.63 3hx7 s GLU 87 Ca 0.12 -1.18 0.14 0.00 -0.41 0.00 0.00 54.97 53.64 3hx7 s GLU 87 Cb 0.10 0.23 -0.20 0.00 -1.78 0.00 0.00 34.13 32.48 3hx7 s GLU 87 CO 0.24 -0.14 0.07 -0.25 -0.49 0.00 0.00 175.26 174.69 3hx7 n ASP 88 N 0.07 1.03 -4.19 -0.19 8.00 -1.26 -4.95 116.55 115.06 3hx7 n ASP 88 Ca -0.14 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.11 3hx7 n ASP 88 Cb 0.61 0.94 -0.15 0.00 -0.02 0.00 0.00 41.12 42.50 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 -2.43 1.39 -0.11 -1.24 2.02 -1.26 -5.00 118.70 112.08 3hx7 s GLU 89 Ca -0.08 -0.73 0.14 0.00 0.02 0.00 0.00 54.97 54.32 3hx7 s GLU 89 Cb 0.05 -1.39 0.36 0.00 0.10 0.00 0.00 34.13 33.25 3hx7 s GLU 89 CO 0.66 0.37 1.27 0.91 0.02 0.00 0.00 175.26 178.50 3hx7 n TRP 90 N 2.36 0.50 -2.89 1.61 7.02 -1.26 -5.10 117.44 119.68 3hx7 n TRP 90 Ca -0.16 -0.79 0.00 0.00 -1.02 0.00 0.00 57.50 55.53 3hx7 n TRP 90 Cb 0.54 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 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 -0.56 2.54 3.97 6.99 0.00 -1.26 -3.62 105.19 113.25 3hx7 n GLY 91 Ca 0.16 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 3.35 0.18 1.61 1.02 -1.26 -4.91 119.74 119.73 3hx7 s LYS 92 Ca 0.00 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 3hx7 s LYS 92 Cb 0.00 -2.85 0.15 0.00 -0.52 0.00 0.00 37.83 34.62 3hx7 s LYS 92 CO 0.00 0.29 1.26 2.41 -0.92 0.00 0.00 175.35 178.39 3hx7 n THR 93 N -1.51 -0.45 -0.19 2.17 -1.04 -1.26 -0.56 114.28 111.43 3hx7 n THR 93 Ca -0.06 1.91 -0.00 0.00 -2.04 0.00 0.00 64.05 63.86 3hx7 n THR 93 Cb 0.57 -2.50 0.10 0.00 -1.82 0.00 0.00 70.33 66.69 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 0.33 0.06 -2.82 0.11 -1.95 0.14 132.00 127.87 3hx7 h PRO 94 Ca 0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3hx7 h PRO 94 Cb 0.46 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3hx7 h PRO 94 CO -0.80 0.22 -0.06 -0.44 -0.21 0.00 0.00 178.00 176.71 3hx7 h ASP 95 N 0.34 -0.15 -0.34 -2.05 5.19 -1.11 -0.60 116.42 117.70 3hx7 h ASP 95 Ca 0.30 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.75 3hx7 h ASP 95 Cb 0.39 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 3hx7 h ASP 95 CO -0.33 -0.09 0.16 0.00 -3.12 0.00 0.00 179.24 175.86 3hx7 h ALA 96 N 0.81 0.41 -0.28 3.45 0.00 -0.80 -0.37 119.26 122.48 3hx7 h ALA 96 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hx7 h ALA 96 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hx7 h ALA 96 CO -0.02 -0.21 0.07 1.98 0.00 0.00 0.00 179.25 181.06 3hx7 h MET 97 N 0.34 0.39 -0.34 0.00 -1.53 -0.53 0.18 114.93 113.43 3hx7 h MET 97 Ca 0.14 -0.05 -0.09 0.00 -3.44 0.00 0.00 59.70 56.26 3hx7 h MET 97 Cb 0.06 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.03 3hx7 h MET 97 CO -0.11 0.37 -0.15 0.87 0.14 0.00 0.00 176.91 178.03 3hx7 h LYS 98 N 0.39 0.71 -0.82 0.39 1.57 -0.28 -0.61 116.57 117.91 3hx7 h LYS 98 Ca 0.09 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3hx7 h LYS 98 Cb 0.15 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3hx7 h LYS 98 CO -0.00 0.90 0.44 0.00 -0.57 0.00 0.00 179.45 180.22 3hx7 h ALA 99 N 0.78 1.05 -0.29 3.86 0.00 -0.30 -0.85 119.26 123.52 3hx7 h ALA 99 Ca 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hx7 h ALA 99 Cb 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hx7 h ALA 99 CO 0.05 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.90 3hx7 h ALA 100 N 1.23 0.39 -0.63 0.00 0.00 -0.80 -1.98 119.26 117.47 3hx7 h ALA 100 Ca 0.29 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hx7 h ALA 100 Cb 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3hx7 h ALA 100 CO -0.04 0.10 0.37 1.98 0.00 0.00 0.00 179.25 181.65 3hx7 h MET 101 N 0.30 0.69 -0.71 0.00 -1.53 -0.81 -0.21 114.93 112.65 3hx7 h MET 101 Ca 0.09 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.28 3hx7 h MET 101 Cb 0.37 -0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 31.23 3hx7 h MET 101 CO 0.01 0.46 0.36 0.00 0.14 0.00 0.00 176.91 177.87 3hx7 h ALA 102 N 1.30 0.92 -0.10 0.39 0.00 -1.03 -1.54 119.26 119.19 3hx7 h ALA 102 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hx7 h ALA 102 Cb 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hx7 h ALA 102 CO -0.14 0.47 0.04 1.25 0.00 0.00 0.00 179.25 180.87 3hx7 h LEU 103 N 0.99 0.14 -1.65 0.00 5.85 -0.69 -0.84 115.31 119.12 3hx7 h LEU 103 Ca 0.25 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hx7 h LEU 103 Cb 0.09 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3hx7 h LEU 103 CO -0.03 0.26 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.92 3hx7 h GLU 104 N 0.01 0.13 -0.21 1.25 4.39 -0.87 -0.17 114.58 119.12 3hx7 h GLU 104 Ca 0.03 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 3hx7 h GLU 104 Cb 0.17 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3hx7 h GLU 104 CO -0.00 0.22 -0.51 0.87 -1.16 0.00 0.00 179.01 178.42 3hx7 h LYS 105 N 0.12 0.71 -0.36 2.33 1.57 -0.97 -0.19 116.57 119.78 3hx7 h LYS 105 Ca 0.03 -0.49 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3hx7 h LYS 105 Cb 0.22 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hx7 h LYS 105 CO 0.01 1.11 0.23 -0.22 -0.57 0.00 0.00 179.45 180.01 3hx7 h LYS 106 N 0.42 0.46 -0.18 3.15 3.64 -0.37 0.31 116.57 124.00 3hx7 h LYS 106 Ca -0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hx7 h LYS 106 Cb 1.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3hx7 h LYS 106 CO 0.11 0.30 0.10 -0.07 -2.27 0.00 0.00 179.45 177.62 3hx7 h LEU 107 N 0.47 0.22 -0.66 5.20 3.38 -1.01 -1.34 115.31 121.56 3hx7 h LEU 107 Ca 0.14 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3hx7 h LEU 107 Cb -0.04 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3hx7 h LEU 107 CO -0.04 0.23 0.35 -1.13 0.09 0.00 0.00 178.44 177.94 3hx7 h ASN 108 N 0.19 0.49 -0.21 -0.43 -1.24 -0.66 0.31 115.58 114.03 3hx7 h ASN 108 Ca 0.06 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 3hx7 h ASN 108 Cb 0.06 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 3hx7 h ASN 108 CO -0.01 0.30 -0.11 -0.61 -1.29 0.00 0.00 177.43 175.72 3hx7 h GLN 109 N 0.62 0.59 -0.47 6.67 5.75 -0.70 0.12 115.11 127.70 3hx7 h GLN 109 Ca 0.31 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 3hx7 h GLN 109 Cb 0.25 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3hx7 h GLN 109 CO -0.21 0.69 0.12 0.00 -2.65 0.00 0.00 178.83 176.78 3hx7 h ALA 110 N 1.34 0.61 0.03 3.38 0.00 0.06 0.10 119.26 124.79 3hx7 h ALA 110 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hx7 h ALA 110 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hx7 h ALA 110 CO 0.03 0.29 -0.02 -0.07 0.00 0.00 0.00 179.25 179.49 3hx7 h LEU 111 N 0.62 -0.04 -0.81 0.00 3.38 0.12 -1.11 115.31 117.47 3hx7 h LEU 111 Ca 0.15 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3hx7 h LEU 111 Cb 0.31 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3hx7 h LEU 111 CO 0.00 0.02 0.49 -0.07 0.09 0.00 0.00 178.44 178.97 3hx7 h LEU 112 N -0.10 0.75 -0.90 1.67 3.38 -0.56 0.06 115.31 119.61 3hx7 h LEU 112 Ca -0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hx7 h LEU 112 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hx7 h LEU 112 CO 0.01 0.47 0.20 0.44 0.09 0.00 0.00 178.44 179.64 3hx7 h ASP 113 N 0.88 0.94 -0.19 -0.43 3.45 -0.57 -0.90 116.42 119.59 3hx7 h ASP 113 Ca 0.36 -0.17 -0.13 0.00 0.43 0.00 0.00 57.03 57.53 3hx7 h ASP 113 Cb 0.21 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3hx7 h ASP 113 CO -0.19 0.88 -0.32 0.25 -1.57 0.00 0.00 179.24 178.29 3hx7 h LEU 114 N 0.97 0.72 -0.77 1.55 5.85 0.02 -0.87 115.31 122.77 3hx7 h LEU 114 Ca 0.21 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3hx7 h LEU 114 Cb 0.28 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3hx7 h LEU 114 CO -0.01 0.99 0.34 -0.74 -0.34 0.00 0.00 178.44 178.68 3hx7 h HIS 115 N 0.59 1.14 -0.19 1.25 2.76 -0.54 0.10 115.15 120.26 3hx7 h HIS 115 Ca 0.06 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3hx7 h HIS 115 Cb 0.84 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 3hx7 h HIS 115 CO 0.04 0.85 0.11 0.00 -1.30 0.00 0.00 177.93 177.63 3hx7 h ALA 116 N 1.18 0.24 -0.86 5.26 0.00 -0.75 -1.36 119.26 122.96 3hx7 h ALA 116 Ca 0.26 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3hx7 h ALA 116 Cb 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3hx7 h ALA 116 CO -0.03 -0.25 0.55 1.25 0.00 0.00 0.00 179.25 180.77 3hx7 h LEU 117 N 0.21 0.90 -0.44 0.00 5.85 -0.75 0.11 115.31 121.20 3hx7 h LEU 117 Ca 0.07 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hx7 h LEU 117 Cb 0.04 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3hx7 h LEU 117 CO -0.01 0.61 0.28 1.23 -0.34 0.00 0.00 178.44 180.20 3hx7 h GLY 118 N 1.05 0.62 0.95 3.75 0.00 -0.49 -1.37 103.07 107.59 3hx7 h GLY 118 Ca 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3hx7 h GLY 118 CO -0.13 0.19 0.18 1.76 0.00 0.00 0.00 176.54 178.54 3hx7 h SER 119 N 0.56 0.59 -0.01 0.19 0.02 -0.49 0.18 113.55 114.58 3hx7 h SER 119 Ca 0.17 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3hx7 h SER 119 Cb -0.02 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3hx7 h SER 119 CO -0.06 0.59 0.01 0.00 -1.14 0.00 0.00 176.83 176.24 3hx7 h ALA 120 N 1.02 1.54 -0.20 3.77 0.00 -0.17 -0.39 119.26 124.84 3hx7 h ALA 120 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hx7 h ALA 120 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hx7 h ALA 120 CO -0.01 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.76 3hx7 n ARG 121 N -3.84 1.80 -3.40 0.00 5.12 -0.57 -4.99 116.66 110.78 3hx7 n ARG 121 Ca -0.03 -1.76 -0.17 0.00 -1.93 0.00 0.00 57.85 53.97 3hx7 n ARG 121 Cb 0.10 -1.33 0.08 0.00 -1.16 0.00 0.00 32.46 30.15 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 0.90 -6.63 -3.60 0.55 -2.24 -0.16 -4.98 114.28 98.13 3hx7 n THR 122 Ca 0.12 -0.68 -0.38 0.00 -2.27 0.00 0.00 64.05 60.84 3hx7 n THR 122 Cb 0.43 -5.29 -0.07 0.00 -2.10 0.00 0.00 70.33 63.31 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 -4.16 5.91 0.20 3.42 -1.08 0.47 -4.93 116.67 116.50 3hx7 s ASP 123 Ca 0.10 -3.26 -0.11 0.00 -0.52 0.00 0.00 52.55 48.76 3hx7 s ASP 123 Cb -0.01 -1.95 0.15 0.00 -1.46 0.00 0.00 42.92 39.64 3hx7 s ASP 123 CO 0.73 -0.31 1.86 1.55 0.52 0.00 0.00 175.17 179.52 3hx7 h PRO 124 N 6.67 0.85 -0.70 4.34 0.13 -1.94 -1.76 132.00 139.60 3hx7 h PRO 124 Ca 0.09 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.24 3hx7 h PRO 124 Cb 0.90 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 3hx7 h PRO 124 CO 0.80 0.57 0.38 1.25 -0.23 0.00 0.00 178.00 180.76 3hx7 h HIS 125 N 0.88 0.68 0.56 1.56 2.76 -1.96 0.57 115.15 120.20 3hx7 h HIS 125 Ca 0.26 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.43 3hx7 h HIS 125 Cb -0.05 -0.20 0.01 0.00 1.55 0.00 0.00 27.41 28.71 3hx7 h HIS 125 CO -0.03 0.30 -0.27 1.25 -1.30 0.00 0.00 177.93 177.87 3hx7 h LEU 126 N 0.67 -0.64 -0.63 0.26 5.85 -1.88 0.16 115.31 119.10 3hx7 h LEU 126 Ca 0.33 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.15 3hx7 h LEU 126 Cb 0.27 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 3hx7 h LEU 126 CO -0.22 -0.40 0.16 0.00 -0.34 0.00 0.00 178.44 177.64 3hx7 h ASP 128 N 0.30 0.93 -0.39 0.00 3.58 0.25 -2.11 116.42 118.98 3hx7 h ASP 128 Ca 0.33 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.56 3hx7 h ASP 128 Cb 0.49 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.25 3hx7 h ASP 128 CO -0.40 1.02 0.11 0.15 -2.88 0.00 0.00 179.24 177.24 3hx7 h PHE 129 N 0.85 0.20 -0.46 0.28 3.04 0.89 -0.92 116.94 120.82 3hx7 h PHE 129 Ca 0.15 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.98 3hx7 h PHE 129 Cb 0.59 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 3hx7 h PHE 129 CO 0.04 0.06 -0.25 -0.07 -2.02 0.00 0.00 178.31 176.07 3hx7 h LEU 130 N 0.26 1.00 -0.41 0.59 3.38 -1.22 -2.31 115.31 116.60 3hx7 h LEU 130 Ca 0.18 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3hx7 h LEU 130 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hx7 h LEU 130 CO -0.21 1.18 0.27 -0.33 0.09 0.00 0.00 178.44 179.44 3hx7 h GLU 131 N 0.83 0.53 -0.40 1.13 5.08 -1.12 -0.36 114.58 120.26 3hx7 h GLU 131 Ca 0.10 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3hx7 h GLU 131 Cb 0.83 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3hx7 h GLU 131 CO 0.07 0.35 -0.27 1.15 -1.00 0.00 0.00 179.01 179.31 3hx7 h THR 132 N 0.55 1.28 -0.00 1.13 2.02 -1.10 -3.37 112.91 113.40 3hx7 h THR 132 Ca 0.15 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.90 3hx7 h THR 132 Cb -0.05 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3hx7 h THR 132 CO -0.04 0.48 -0.00 1.41 0.37 0.00 0.00 175.52 177.74 3hx7 n HIS 133 N -4.15 0.00 0.08 3.16 8.25 -0.87 -4.94 115.22 116.74 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 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 0.03 -1.03 -0.40 4.41 3.72 -0.53 -4.76 117.46 118.88 3hx7 n PHE 134 Ca 0.00 0.18 -0.11 0.00 -0.05 0.00 0.00 57.45 57.48 3hx7 n PHE 134 Cb 0.01 0.26 -0.09 0.00 -0.94 0.00 0.00 39.48 38.72 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 -2.11 -0.90 4.37 3.38 -1.29 0.12 115.31 118.87 3hx7 h LEU 135 Ca 0.00 0.32 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 3hx7 h LEU 135 Cb 0.00 0.94 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3hx7 h LEU 135 CO 0.00 -0.24 -0.51 -0.78 0.09 0.00 0.00 178.44 177.00 3hx7 h ASP 136 N -0.02 0.11 -0.85 -0.43 -0.00 -1.83 -2.83 116.42 110.57 3hx7 h ASP 136 Ca 0.17 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.03 57.11 3hx7 h ASP 136 Cb 0.43 -0.03 -0.04 0.00 -0.00 0.00 0.00 39.33 39.69 3hx7 h ASP 136 CO -0.93 0.60 0.41 -0.33 -0.00 0.00 0.00 179.24 179.00 3hx7 h GLU 137 N 0.08 1.23 -0.06 0.28 4.39 -1.36 -1.90 114.58 117.24 3hx7 h GLU 137 Ca 0.00 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3hx7 h GLU 137 Cb 0.93 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3hx7 h GLU 137 CO 0.07 0.94 0.01 0.93 -1.16 0.00 0.00 179.01 179.80 3hx7 h GLU 138 N 1.21 0.10 -0.34 2.33 4.39 -0.62 -2.34 114.58 119.32 3hx7 h GLU 138 Ca 0.29 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.01 3hx7 h GLU 138 Cb 0.11 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3hx7 h GLU 138 CO -0.04 0.32 0.09 0.28 -1.16 0.00 0.00 179.01 178.51 3hx7 h VAL 139 N -0.13 0.87 -0.87 3.13 2.07 -1.37 0.32 116.25 120.27 3hx7 h VAL 139 Ca 0.02 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.54 3hx7 h VAL 139 Cb 0.27 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3hx7 h VAL 139 CO 0.00 0.04 0.53 0.11 0.02 0.00 0.00 177.57 178.27 3hx7 h LYS 140 N 0.22 0.90 -0.15 1.57 1.57 -1.31 0.31 116.57 119.68 3hx7 h LYS 140 Ca 0.16 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3hx7 h LYS 140 Cb 0.15 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3hx7 h LYS 140 CO -0.18 0.59 -0.34 1.25 -0.57 0.00 0.00 179.45 180.20 3hx7 h LEU 141 N 0.93 0.56 -0.97 2.94 5.85 -0.73 -0.89 115.31 123.00 3hx7 h LEU 141 Ca 0.40 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3hx7 h LEU 141 Cb 0.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3hx7 h LEU 141 CO -0.21 1.03 0.45 0.40 -0.34 0.00 0.00 178.44 179.77 3hx7 h ILE 142 N 0.12 1.25 0.42 4.05 2.04 0.04 0.11 117.51 125.55 3hx7 h ILE 142 Ca 0.00 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3hx7 h ILE 142 Cb 0.94 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3hx7 h ILE 142 CO 0.07 0.28 -0.20 0.50 0.00 0.00 0.00 178.15 178.80 3hx7 h LYS 143 N 1.18 -0.55 -0.83 2.37 1.63 -0.90 -0.19 116.57 119.28 3hx7 h LYS 143 Ca 0.30 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.29 3hx7 h LYS 143 Cb 0.04 0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 31.70 3hx7 h LYS 143 CO -0.05 -0.32 0.39 -0.22 -3.45 0.00 0.00 179.45 175.80 3hx7 h LYS 144 N -0.65 0.51 -0.37 1.90 3.64 -0.68 0.65 116.57 121.57 3hx7 h LYS 144 Ca -0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3hx7 h LYS 144 Cb 0.48 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3hx7 h LYS 144 CO 0.10 0.34 0.03 0.52 -2.27 0.00 0.00 179.45 178.16 3hx7 h MET 145 N 0.53 0.64 -0.38 1.90 2.86 -0.60 -2.08 114.93 117.80 3hx7 h MET 145 Ca 0.46 -0.19 0.06 0.00 -2.06 0.00 0.00 59.70 57.97 3hx7 h MET 145 Cb 0.71 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 3hx7 h MET 145 CO -0.40 0.73 0.06 0.78 1.06 0.00 0.00 176.91 179.14 3hx7 h GLY 146 N 0.47 0.43 0.69 8.32 0.00 0.94 0.89 103.07 114.82 3hx7 h GLY 146 Ca 0.11 -0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.50 3hx7 h GLY 146 CO 0.01 -0.05 0.51 -0.55 0.00 0.00 0.00 176.54 176.46 3hx7 h ASP 147 N 0.17 0.79 -0.06 0.19 5.19 -0.90 -1.35 116.42 120.45 3hx7 h ASP 147 Ca 0.19 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3hx7 h ASP 147 Cb 0.23 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 3hx7 h ASP 147 CO -0.26 0.50 0.02 0.45 -3.12 0.00 0.00 179.24 176.83 3hx7 h HIS 148 N 0.92 0.09 -0.99 4.55 3.86 -0.40 -2.01 115.15 121.16 3hx7 h HIS 148 Ca 0.37 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.71 3hx7 h HIS 148 Cb 0.20 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 28.56 3hx7 h HIS 148 CO -0.04 0.21 0.62 -0.07 0.86 0.00 0.00 177.93 179.52 3hx7 h LEU 149 N -0.06 0.86 0.01 2.43 3.38 -0.25 0.11 115.31 121.79 3hx7 h LEU 149 Ca 0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hx7 h LEU 149 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hx7 h LEU 149 CO -0.00 0.42 -0.00 0.74 0.09 0.00 0.00 178.44 179.69 3hx7 h THR 150 N 0.91 1.27 0.00 0.22 2.02 -1.06 -2.08 112.91 114.18 3hx7 h THR 150 Ca 0.51 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3hx7 h THR 150 Cb 0.61 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 3hx7 h THR 150 CO -0.28 0.21 -0.20 0.78 0.37 0.00 0.00 175.52 176.39 3hx7 h ASN 151 N -0.36 0.00 -0.03 4.18 2.35 -0.66 -2.28 115.58 118.78 3hx7 h ASN 151 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3hx7 h ASN 151 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3hx7 h ASN 151 CO 0.00 0.20 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.86 3hx7 h LEU 152 N 0.00 0.10 -2.18 1.61 3.38 -0.73 -2.98 115.31 114.50 3hx7 h LEU 152 Ca -0.00 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.42 3hx7 h LEU 152 Cb 0.39 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hx7 h LEU 152 CO 0.03 0.64 0.04 -0.74 0.09 0.00 0.00 178.44 178.50 3hx7 h HIS 153 N -0.44 0.00 0.00 1.13 2.76 -1.20 -0.88 115.15 116.52 3hx7 h HIS 153 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3hx7 h HIS 153 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3hx7 h HIS 153 CO 0.12 0.00 0.00 -0.09 -1.30 0.00 0.00 177.93 176.66 3hx7 h ARG 154 N 0.00 0.00 0.00 5.26 2.43 -1.33 -3.25 114.38 117.49 3hx7 h ARG 154 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3hx7 h ARG 154 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hx7 h ARG 154 CO -0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 3hx7 n LEU 155 N -2.91 0.00 -4.02 3.80 4.77 -0.33 -3.75 117.00 114.56 3hx7 n LEU 155 Ca 0.03 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 3hx7 n LEU 155 Cb 0.45 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3hx7 n LEU 155 CO 0.31 -0.01 0.36 0.61 -1.33 0.00 0.00 177.39 177.33 3hx7 n GLY 156 N 0.52 4.25 0.00 -0.72 0.00 -1.23 -4.85 105.19 103.16 3hx7 n GLY 156 Ca 0.17 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 2.06 0.27 0.23 -0.02 0.00 -1.26 -4.94 105.19 101.54 3hx7 n GLY 157 Ca 0.23 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 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 0.40 -0.96 1.61 0.13 -1.95 -3.15 132.00 128.08 3hx7 h PRO 158 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3hx7 h PRO 158 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 3hx7 h PRO 158 CO 0.00 0.63 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 3hx7 n GLU 159 N -4.13 0.91 -2.52 0.86 1.02 -1.26 -4.75 120.64 110.77 3hx7 n GLU 159 Ca -0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3hx7 n GLU 159 Cb 0.40 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 3hx7 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx7 s ALA 160 N -0.70 2.70 0.00 0.62 0.00 -1.19 -4.73 121.76 118.46 3hx7 s ALA 160 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3hx7 s ALA 160 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.82 3hx7 s ALA 160 CO 0.00 -3.38 0.00 0.41 0.00 0.00 0.00 175.76 172.79