#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 -0.00 -0.27 6.12 0.15 -1.26 -5.12 113.70 113.32 3hx7 s SER 2 Ca 0.00 -0.00 -0.39 0.00 0.70 0.00 0.00 55.95 56.25 3hx7 s SER 2 Cb 0.00 0.04 -0.15 0.00 -1.71 0.00 0.00 66.02 64.20 3hx7 s SER 2 CO 0.00 -0.03 1.81 -0.24 1.20 0.00 0.00 173.24 175.98 3hx7 n SER 3 N 2.95 2.46 0.00 5.45 2.88 -1.26 -4.82 113.62 121.29 3hx7 n SER 3 Ca -0.13 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 3hx7 n SER 3 Cb 0.60 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 3hx7 n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hx7 n GLN 4 N 5.82 0.00 -0.00 -1.46 10.64 -1.26 -0.16 117.38 130.96 3hx7 n GLN 4 Ca 0.28 0.17 0.01 0.00 -1.83 0.00 0.00 57.00 55.63 3hx7 n GLN 4 Cb 0.15 -1.61 -0.02 0.00 -0.86 0.00 0.00 30.24 27.91 3hx7 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx7 n ILE 5 N -1.09 0.00 -1.66 -0.39 -5.35 -1.26 -5.05 119.36 104.56 3hx7 n ILE 5 Ca 0.00 -0.31 -0.44 0.00 -0.27 0.00 0.00 62.75 61.73 3hx7 n ILE 5 Cb 0.11 0.80 -0.02 0.00 -1.74 0.00 0.00 39.64 38.79 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 -1.24 1.86 -3.42 6.28 0.63 0.78 -4.87 116.66 116.67 3hx7 n ARG 6 Ca 0.00 0.66 0.01 0.00 -0.92 0.00 0.00 57.85 57.60 3hx7 n ARG 6 Cb 0.05 -2.20 -0.04 0.00 0.45 0.00 0.00 32.46 30.72 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 -1.30 0.36 -1.47 -0.14 0.74 -1.26 -4.94 119.66 111.66 3hx7 s GLN 7 Ca 0.61 0.88 -0.01 0.00 0.05 0.00 0.00 55.36 56.89 3hx7 s GLN 7 Cb -0.64 0.53 0.00 0.00 1.10 0.00 0.00 33.01 34.00 3hx7 s GLN 7 CO 0.58 -0.16 0.07 -1.71 -0.55 0.00 0.00 175.29 173.52 3hx7 n ASN 8 N 5.15 -5.16 -4.08 6.67 5.15 -1.26 -4.97 115.26 116.76 3hx7 n ASN 8 Ca -0.09 -0.05 -0.34 0.00 -0.60 0.00 0.00 54.58 53.50 3hx7 n ASN 8 Cb 0.52 -4.21 -0.12 0.00 -0.53 0.00 0.00 39.78 35.44 3hx7 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx7 s TYR 9 N -2.90 3.59 0.37 1.20 5.04 -1.26 -4.80 117.35 118.58 3hx7 s TYR 9 Ca 0.04 -2.67 -0.27 0.00 -2.44 0.00 0.00 57.07 51.73 3hx7 s TYR 9 Cb -0.02 -3.12 -0.09 0.00 0.35 0.00 0.00 41.96 39.09 3hx7 s TYR 9 CO 0.05 -0.93 1.27 -1.54 -1.34 0.00 0.00 175.55 173.05 3hx7 s SER 10 N 1.28 6.56 0.16 4.32 1.04 -1.26 -4.86 113.70 120.94 3hx7 s SER 10 Ca 0.11 2.60 0.14 0.00 0.48 0.00 0.00 55.95 59.28 3hx7 s SER 10 Cb -0.22 -2.64 0.69 0.00 0.10 0.00 0.00 66.02 63.96 3hx7 s SER 10 CO -0.05 -0.67 1.44 0.35 0.98 0.00 0.00 173.24 175.29 3hx7 n THR 11 N 0.42 1.27 -0.02 2.02 -2.24 -1.26 -1.47 114.28 113.00 3hx7 n THR 11 Ca 0.02 0.48 -0.16 0.00 -2.27 0.00 0.00 64.05 62.12 3hx7 n THR 11 Cb 0.43 -1.42 -0.09 0.00 -2.10 0.00 0.00 70.33 67.15 3hx7 n THR 11 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hx7 h ASP 12 N 0.00 0.48 0.24 3.42 3.45 -1.99 -2.37 116.42 119.65 3hx7 h ASP 12 Ca 0.00 -0.67 -0.01 0.00 0.43 0.00 0.00 57.03 56.78 3hx7 h ASP 12 Cb 0.12 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3hx7 h ASP 12 CO 0.00 1.07 -0.12 0.58 -1.57 0.00 0.00 179.24 179.21 3hx7 h VAL 13 N -0.08 0.81 -0.90 -1.35 2.07 -1.63 -2.54 116.25 112.65 3hx7 h VAL 13 Ca -0.03 -0.63 0.15 0.00 0.82 0.00 0.00 66.70 67.01 3hx7 h VAL 13 Cb 1.08 1.16 -0.16 0.00 -1.52 0.00 0.00 31.29 31.85 3hx7 h VAL 13 CO 0.09 0.13 -0.33 -0.08 0.02 0.00 0.00 177.57 177.39 3hx7 h GLU 14 N -0.67 -0.03 0.00 1.57 4.81 -1.42 0.92 114.58 119.76 3hx7 h GLU 14 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hx7 h GLU 14 Cb 0.47 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3hx7 h GLU 14 CO 0.05 -0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.31 3hx7 h ALA 15 N 1.46 1.00 0.00 2.92 0.00 -1.45 -2.37 119.26 120.82 3hx7 h ALA 15 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 3hx7 h ALA 15 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3hx7 h ALA 15 CO -0.92 0.00 -0.97 0.00 0.00 0.00 0.00 179.25 177.36 3hx7 h ALA 16 N 2.12 0.42 0.51 0.00 0.00 0.12 -3.06 119.26 119.37 3hx7 h ALA 16 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 3hx7 h ALA 16 Cb 0.62 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hx7 h ALA 16 CO 0.00 1.18 -0.25 0.28 0.00 0.00 0.00 179.25 180.46 3hx7 h VAL 17 N 0.00 0.13 -1.10 0.00 2.07 -0.29 -0.98 116.25 116.08 3hx7 h VAL 17 Ca -0.03 -0.50 0.32 0.00 0.82 0.00 0.00 66.70 67.31 3hx7 h VAL 17 Cb 1.73 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3hx7 h VAL 17 CO 0.12 0.03 0.87 0.78 0.02 0.00 0.00 177.57 179.39 3hx7 h ASN 18 N -1.13 0.00 0.18 0.57 2.35 -1.54 0.62 115.58 116.63 3hx7 h ASN 18 Ca -0.07 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.43 3hx7 h ASN 18 Cb 0.57 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.97 3hx7 h ASN 18 CO 0.12 0.00 -1.13 -1.28 -1.65 0.00 0.00 177.43 173.49 3hx7 h SER 19 N 0.00 0.58 -0.61 5.81 0.87 -1.44 -3.00 113.55 115.76 3hx7 h SER 19 Ca 0.52 -0.93 0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3hx7 h SER 19 Cb 2.27 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 64.00 3hx7 h SER 19 CO -0.01 1.53 0.41 0.25 -0.53 0.00 0.00 176.83 178.48 3hx7 h LEU 20 N -0.19 0.70 -0.69 2.23 5.85 0.15 -1.11 115.31 122.26 3hx7 h LEU 20 Ca -0.20 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.62 3hx7 h LEU 20 Cb 1.84 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.61 3hx7 h LEU 20 CO 0.18 0.51 0.27 0.58 -0.34 0.00 0.00 178.44 179.63 3hx7 h VAL 21 N 0.83 0.71 0.00 1.05 2.07 -0.75 0.45 116.25 120.61 3hx7 h VAL 21 Ca 0.23 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 3hx7 h VAL 21 Cb -0.09 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3hx7 h VAL 21 CO -0.05 0.08 -0.23 -1.13 0.02 0.00 0.00 177.57 176.25 3hx7 h ASN 22 N 0.43 0.00 0.05 0.57 -0.73 -1.24 0.76 115.58 115.43 3hx7 h ASN 22 Ca 0.36 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.34 3hx7 h ASN 22 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.09 3hx7 h ASN 22 CO -0.36 0.23 -0.72 0.25 -0.37 0.00 0.00 177.43 176.47 3hx7 h LEU 23 N 0.00 0.70 -0.02 0.34 5.85 0.10 -1.68 115.31 120.60 3hx7 h LEU 23 Ca -0.00 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3hx7 h LEU 23 Cb 0.61 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3hx7 h LEU 23 CO 0.03 1.21 -0.05 1.88 -0.34 0.00 0.00 178.44 181.17 3hx7 h TYR 24 N 0.42 0.10 -0.95 1.25 -1.99 -0.48 -0.98 116.97 114.33 3hx7 h TYR 24 Ca -0.03 -0.03 0.21 0.00 2.00 0.00 0.00 58.73 60.87 3hx7 h TYR 24 Cb 1.31 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 39.94 3hx7 h TYR 24 CO 0.06 0.62 0.61 -0.07 -0.00 0.00 0.00 178.16 179.39 3hx7 h LEU 25 N -0.46 0.52 -0.29 3.88 3.38 -0.86 0.44 115.31 121.91 3hx7 h LEU 25 Ca 0.00 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 3hx7 h LEU 25 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hx7 h LEU 25 CO 0.01 0.19 -0.56 -0.61 0.09 0.00 0.00 178.44 177.56 3hx7 h GLN 26 N 0.51 0.88 -0.35 1.13 5.75 -1.11 -2.21 115.11 119.71 3hx7 h GLN 26 Ca 0.52 -0.57 -0.13 0.00 -0.15 0.00 0.00 58.65 58.32 3hx7 h GLN 26 Cb 1.14 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 3hx7 h GLN 26 CO -0.24 1.20 -0.30 0.00 -2.65 0.00 0.00 178.83 176.84 3hx7 h ALA 27 N 0.68 0.82 0.63 3.38 0.00 0.84 -2.60 119.26 123.01 3hx7 h ALA 27 Ca 0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3hx7 h ALA 27 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3hx7 h ALA 27 CO 0.12 0.64 -0.43 1.03 0.00 0.00 0.00 179.25 180.61 3hx7 h SER 28 N 0.63 -1.12 -0.85 0.00 0.87 -0.19 -1.47 113.55 111.43 3hx7 h SER 28 Ca 0.07 0.07 0.19 0.00 -1.23 0.00 0.00 61.79 60.90 3hx7 h SER 28 Cb 0.82 0.34 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 3hx7 h SER 28 CO 0.07 -0.65 0.57 0.22 -0.53 0.00 0.00 176.83 176.51 3hx7 h TYR 29 N -1.02 0.44 -0.21 2.24 5.03 -1.34 0.89 116.97 123.00 3hx7 h TYR 29 Ca -0.08 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.18 3hx7 h TYR 29 Cb 0.84 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.98 3hx7 h TYR 29 CO -0.14 0.13 -0.13 1.15 -1.32 0.00 0.00 178.16 177.85 3hx7 h THR 30 N 0.34 1.31 -0.33 1.81 2.02 -1.02 -2.43 112.91 114.62 3hx7 h THR 30 Ca 0.43 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3hx7 h THR 30 Cb 1.15 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 3hx7 h THR 30 CO -0.14 0.38 0.14 1.88 0.37 0.00 0.00 175.52 178.15 3hx7 h TYR 31 N 0.16 0.49 -1.00 3.16 0.05 0.11 0.30 116.97 120.25 3hx7 h TYR 31 Ca 0.04 -0.03 0.17 0.00 0.05 0.00 0.00 58.73 58.96 3hx7 h TYR 31 Cb 0.65 -0.15 -0.10 0.00 1.01 0.00 0.00 36.73 38.14 3hx7 h TYR 31 CO 0.07 0.46 0.62 1.25 -1.05 0.00 0.00 178.16 179.51 3hx7 h LEU 32 N 0.38 0.80 -0.18 3.88 5.85 -0.89 0.31 115.31 125.46 3hx7 h LEU 32 Ca 0.11 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3hx7 h LEU 32 Cb 0.17 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3hx7 h LEU 32 CO -0.01 0.34 -0.44 -1.28 -0.34 0.00 0.00 178.44 176.70 3hx7 h SER 33 N 0.81 0.70 -0.99 1.25 0.87 -0.88 -2.57 113.55 112.74 3hx7 h SER 33 Ca 0.55 -0.57 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3hx7 h SER 33 Cb 0.79 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 3hx7 h SER 33 CO -0.33 1.14 0.64 -0.07 -0.53 0.00 0.00 176.83 177.68 3hx7 h LEU 34 N 0.28 1.15 0.01 2.23 3.38 0.17 -2.19 115.31 120.35 3hx7 h LEU 34 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hx7 h LEU 34 Cb 1.05 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3hx7 h LEU 34 CO 0.10 0.85 -0.01 1.23 0.09 0.00 0.00 178.44 180.69 3hx7 h GLY 35 N 1.35 -0.70 1.35 0.83 0.00 -0.29 -2.40 103.07 103.21 3hx7 h GLY 35 Ca 0.36 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3hx7 h GLY 35 CO -0.08 -0.26 0.00 0.69 0.00 0.00 0.00 176.54 176.89 3hx7 n PHE 36 N -2.33 0.00 0.10 5.60 3.01 -0.98 -1.18 117.46 121.68 3hx7 n PHE 36 Ca -0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 3hx7 n PHE 36 Cb 0.01 -0.17 -0.15 0.00 -0.01 0.00 0.00 39.48 39.16 3hx7 n PHE 36 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hx7 h TYR 37 N 0.00 0.61 -0.00 1.38 3.20 -0.89 -3.22 116.97 118.05 3hx7 h TYR 37 Ca 0.00 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3hx7 h TYR 37 Cb 0.04 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3hx7 h TYR 37 CO 0.00 1.42 -0.01 1.19 -1.64 0.00 0.00 178.16 179.12 3hx7 n PHE 38 N -3.55 0.00 1.11 -3.82 3.72 -0.33 -2.66 117.46 111.93 3hx7 n PHE 38 Ca -0.15 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.37 3hx7 n PHE 38 Cb 1.05 -0.16 0.19 0.00 -0.94 0.00 0.00 39.48 39.62 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 -1.13 1.26 -4.77 4.37 -0.08 -1.18 -1.07 116.55 113.95 3hx7 n ASP 39 Ca 0.18 -1.01 -0.40 0.00 -1.51 0.00 0.00 54.79 52.06 3hx7 n ASP 39 Cb 0.19 0.36 -0.01 0.00 2.34 0.00 0.00 41.12 44.01 3hx7 n ASP 39 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hx7 s ARG 40 N -2.62 4.03 0.66 -0.67 0.52 -1.09 -4.70 118.95 115.09 3hx7 s ARG 40 Ca 0.19 2.23 0.43 0.00 -0.52 0.00 0.00 55.73 58.06 3hx7 s ARG 40 Cb 0.18 -2.83 2.34 0.00 0.52 0.00 0.00 34.95 35.17 3hx7 s ARG 40 CO 0.60 -0.46 2.35 0.38 0.02 0.00 0.00 175.30 178.19 3hx7 h ASP 41 N 2.82 0.00 0.11 0.23 2.03 -1.91 1.02 116.42 120.72 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 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3hx7 h ASP 41 CO 0.63 0.00 -0.36 -0.90 -1.03 0.00 0.00 179.24 177.58 3hx7 n ASP 42 N -3.13 1.52 -0.04 4.15 3.85 -1.26 -4.36 116.55 117.28 3hx7 n ASP 42 Ca -0.03 -1.20 -0.09 0.00 -0.71 0.00 0.00 54.79 52.76 3hx7 n ASP 42 Cb 0.09 0.30 -0.03 0.00 -1.35 0.00 0.00 41.12 40.12 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 -0.33 0.98 -3.34 2.12 0.31 -0.20 -5.09 118.33 112.79 3hx7 n VAL 43 Ca 0.11 0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.30 3hx7 n VAL 43 Cb 0.41 -1.78 0.02 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.71 -2.16 -3.08 3.52 0.00 0.34 -4.99 120.51 110.43 3hx7 n ALA 44 Ca -0.15 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 3hx7 n ALA 44 Cb 0.46 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 0.58 -1.49 -0.22 0.00 4.77 -0.23 -5.00 117.00 115.40 3hx7 n LEU 45 Ca -0.04 -3.90 0.25 0.00 -0.03 0.00 0.00 56.01 52.29 3hx7 n LEU 45 Cb 0.58 0.67 0.63 0.00 -2.33 0.00 0.00 43.42 42.97 3hx7 n LEU 45 CO 0.27 1.95 1.25 -0.08 -1.33 0.00 0.00 177.39 179.45 3hx7 h GLU 46 N 4.86 0.18 0.04 3.23 4.81 -1.95 0.08 114.58 125.82 3hx7 h GLU 46 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3hx7 h GLU 46 Cb 0.97 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3hx7 h GLU 46 CO 0.29 0.12 -0.02 0.78 -0.73 0.00 0.00 179.01 179.45 3hx7 h GLY 47 N 0.18 -0.06 0.77 1.92 0.00 -1.94 -1.62 103.07 102.32 3hx7 h GLY 47 Ca 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 3hx7 h GLY 47 CO -0.10 -0.02 -0.09 -2.08 0.00 0.00 0.00 176.54 174.25 3hx7 h VAL 48 N -0.30 0.90 -0.88 4.60 2.07 -1.73 -2.21 116.25 118.70 3hx7 h VAL 48 Ca -0.01 -0.47 0.20 0.00 0.82 0.00 0.00 66.70 67.25 3hx7 h VAL 48 Cb 0.28 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3hx7 h VAL 48 CO 0.01 0.11 0.58 -1.28 0.02 0.00 0.00 177.57 177.01 3hx7 h SER 49 N -0.48 0.38 -0.13 0.57 0.87 -1.03 0.44 113.55 114.18 3hx7 h SER 49 Ca -0.03 0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.36 3hx7 h SER 49 Cb 0.37 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3hx7 h SER 49 CO 0.04 0.16 -0.75 -0.74 -0.53 0.00 0.00 176.83 175.01 3hx7 h HIS 50 N 0.38 1.00 -0.59 2.24 6.17 -1.15 -2.49 115.15 120.71 3hx7 h HIS 50 Ca 0.45 -0.45 0.05 0.00 0.71 0.00 0.00 60.37 61.13 3hx7 h HIS 50 Cb 1.15 -0.15 -0.05 0.00 2.52 0.00 0.00 27.41 30.88 3hx7 h HIS 50 CO -0.00 1.28 0.31 0.35 0.71 0.00 0.00 177.93 180.58 3hx7 h PHE 51 N 0.44 0.57 -0.01 5.26 3.57 -0.30 0.08 116.94 126.54 3hx7 h PHE 51 Ca -0.06 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 3hx7 h PHE 51 Cb 1.39 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3hx7 h PHE 51 CO 0.10 0.27 -0.70 0.74 -2.23 0.00 0.00 178.31 176.48 3hx7 h PHE 52 N 0.58 0.10 0.00 0.41 0.05 -1.38 -2.31 116.94 114.39 3hx7 h PHE 52 Ca 0.26 -0.04 -0.11 0.00 3.82 0.00 0.00 57.97 61.90 3hx7 h PHE 52 Cb 0.17 -0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.09 3hx7 h PHE 52 CO -0.09 0.75 -0.53 0.00 -0.18 0.00 0.00 178.31 178.26 3hx7 h ARG 53 N 0.05 0.00 -0.23 1.51 3.08 -0.91 -0.23 114.38 117.65 3hx7 h ARG 53 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3hx7 h ARG 53 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3hx7 h ARG 53 CO 0.10 0.53 -0.27 0.93 -1.07 0.00 0.00 179.97 180.19 3hx7 h GLU 54 N 0.00 0.59 -0.71 0.04 5.08 -0.86 -2.53 114.58 116.18 3hx7 h GLU 54 Ca -0.01 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3hx7 h GLU 54 Cb 0.97 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3hx7 h GLU 54 CO 0.07 0.92 0.45 -0.07 -1.00 0.00 0.00 179.01 179.38 3hx7 h LEU 55 N 0.28 0.84 -1.72 1.33 3.38 -1.09 0.49 115.31 118.83 3hx7 h LEU 55 Ca 0.03 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3hx7 h LEU 55 Cb 0.83 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3hx7 h LEU 55 CO 0.06 0.63 0.29 0.00 0.09 0.00 0.00 178.44 179.52 3hx7 h ALA 56 N 1.24 1.95 0.08 1.53 0.00 -0.97 0.32 119.26 123.41 3hx7 h ALA 56 Ca 0.26 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 3hx7 h ALA 56 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hx7 h ALA 56 CO -0.05 -0.03 -1.17 1.49 0.00 0.00 0.00 179.25 179.49 3hx7 h GLU 57 N 0.35 0.16 -0.30 0.00 4.57 -0.75 -2.93 114.58 115.69 3hx7 h GLU 57 Ca 0.19 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3hx7 h GLU 57 Cb 0.29 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3hx7 h GLU 57 CO -0.04 1.12 0.03 0.93 -1.18 0.00 0.00 179.01 179.87 3hx7 h GLU 58 N 0.04 0.50 -0.90 1.92 5.08 0.49 -2.18 114.58 119.53 3hx7 h GLU 58 Ca -0.09 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3hx7 h GLU 58 Cb 1.90 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 31.03 3hx7 h GLU 58 CO 0.17 0.62 0.58 0.87 -1.00 0.00 0.00 179.01 180.25 3hx7 h LYS 59 N 0.31 1.06 -0.68 2.33 1.79 -1.06 0.20 116.57 120.51 3hx7 h LYS 59 Ca 0.09 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3hx7 h LYS 59 Cb 0.37 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3hx7 h LYS 59 CO 0.01 0.70 0.35 -0.09 -1.08 0.00 0.00 179.45 179.34 3hx7 h ARG 60 N 1.09 0.96 -0.32 3.15 2.43 -1.31 0.76 114.38 121.16 3hx7 h ARG 60 Ca 0.37 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 3hx7 h ARG 60 Cb 0.08 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3hx7 h ARG 60 CO -0.14 0.73 -0.02 0.93 -1.51 0.00 0.00 179.97 179.95 3hx7 h GLU 61 N 0.96 0.50 0.77 0.20 5.08 -0.37 -2.03 114.58 119.69 3hx7 h GLU 61 Ca 0.24 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3hx7 h GLU 61 Cb 0.07 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3hx7 h GLU 61 CO -0.03 0.54 -0.37 0.78 -1.00 0.00 0.00 179.01 178.93 3hx7 h GLY 62 N 0.83 -1.09 2.00 -3.84 0.00 0.50 -0.00 103.07 101.47 3hx7 h GLY 62 Ca 0.10 0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 3hx7 h GLY 62 CO 0.01 -0.39 -0.01 0.10 0.00 0.00 0.00 176.54 176.25 3hx7 h TYR 63 N -1.09 0.00 0.03 5.60 -0.00 -1.32 -0.03 116.97 120.17 3hx7 h TYR 63 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.39 3hx7 h TYR 63 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.50 3hx7 h TYR 63 CO 0.04 0.01 -1.11 0.93 -0.00 0.00 0.00 178.16 178.03 3hx7 h GLU 64 N 0.00 0.07 -0.27 0.10 5.08 -1.15 -1.79 114.58 116.63 3hx7 h GLU 64 Ca -0.00 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3hx7 h GLU 64 Cb 0.15 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hx7 h GLU 64 CO 0.00 1.03 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.66 3hx7 h ARG 65 N 0.02 0.67 0.50 2.33 2.43 0.79 -2.39 114.38 118.73 3hx7 h ARG 65 Ca -0.06 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 3hx7 h ARG 65 Cb 1.84 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 3hx7 h ARG 65 CO 0.15 0.97 -0.24 -0.07 -1.51 0.00 0.00 179.97 179.27 3hx7 h LEU 66 N 0.39 -0.57 -2.02 3.80 3.38 -1.19 -1.58 115.31 117.51 3hx7 h LEU 66 Ca 0.04 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3hx7 h LEU 66 Cb 0.86 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3hx7 h LEU 66 CO 0.07 -0.31 0.32 -0.07 0.09 0.00 0.00 178.44 178.54 3hx7 h LEU 67 N -0.81 0.00 -0.23 1.67 3.38 -1.38 0.30 115.31 118.24 3hx7 h LEU 67 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3hx7 h LEU 67 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hx7 h LEU 67 CO 0.11 0.00 -0.32 0.11 0.09 0.00 0.00 178.44 178.43 3hx7 h LYS 68 N 0.00 0.63 -0.52 1.13 1.79 -1.16 -2.90 116.57 115.54 3hx7 h LYS 68 Ca 0.20 -0.37 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 3hx7 h LYS 68 Cb 0.84 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 3hx7 h LYS 68 CO -0.00 0.97 0.06 1.98 -1.08 0.00 0.00 179.45 181.38 3hx7 h MET 69 N 0.33 0.87 -0.10 3.15 4.05 0.13 -2.17 114.93 121.19 3hx7 h MET 69 Ca 0.03 -0.25 0.04 0.00 -0.28 0.00 0.00 59.70 59.24 3hx7 h MET 69 Cb 0.90 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.55 3hx7 h MET 69 CO 0.08 0.87 -0.29 0.37 0.23 0.00 0.00 176.91 178.17 3hx7 h GLN 70 N 0.75 -0.37 0.00 0.39 5.75 -0.48 0.14 115.11 121.29 3hx7 h GLN 70 Ca 0.15 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3hx7 h GLN 70 Cb 0.44 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 3hx7 h GLN 70 CO 0.02 -0.25 -0.07 -0.91 -2.65 0.00 0.00 178.83 174.97 3hx7 h ASN 71 N -0.38 0.00 -0.24 -0.69 4.21 -1.40 0.10 115.58 117.17 3hx7 h ASN 71 Ca 0.09 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.51 3hx7 h ASN 71 Cb 0.52 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.71 3hx7 h ASN 71 CO -0.32 0.07 -0.20 1.56 -1.29 0.00 0.00 177.43 177.25 3hx7 h GLN 72 N 0.00 0.55 0.00 0.81 4.20 -0.12 -3.18 115.11 117.37 3hx7 h GLN 72 Ca -0.00 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 3hx7 h GLN 72 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3hx7 h GLN 72 CO 0.01 0.86 -0.34 0.00 -0.67 0.00 0.00 178.83 178.69 3hx7 h ARG 73 N 0.25 0.00 0.00 1.46 2.47 -0.68 -3.47 114.38 114.41 3hx7 h ARG 73 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3hx7 h ARG 73 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 3hx7 h ARG 73 CO 0.05 0.34 0.00 0.41 0.56 0.00 0.00 179.97 181.33 3hx7 n GLY 74 N 0.29 0.86 0.80 0.04 0.00 -0.78 -3.82 105.19 102.59 3hx7 n GLY 74 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 3hx7 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx7 n GLY 75 N -0.68 -3.55 3.04 -0.02 0.00 -0.05 -4.61 105.19 99.32 3hx7 n GLY 75 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 3hx7 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx7 s ARG 76 N -3.53 0.19 0.21 1.61 1.81 -1.26 -4.50 118.95 113.48 3hx7 s ARG 76 Ca 0.17 0.35 -0.29 0.00 -1.72 0.00 0.00 55.73 54.25 3hx7 s ARG 76 Cb -0.03 -0.01 -0.08 0.00 -0.45 0.00 0.00 34.95 34.38 3hx7 s ARG 76 CO 0.14 -0.09 0.90 0.00 -0.68 0.00 0.00 175.30 175.57 3hx7 s ALA 77 N 0.61 3.36 -0.04 2.13 0.00 -1.26 -4.94 121.76 121.62 3hx7 s ALA 77 Ca -0.04 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 3hx7 s ALA 77 Cb -0.06 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.94 3hx7 s ALA 77 CO -0.03 0.21 0.05 -0.51 0.00 0.00 0.00 175.76 175.48 3hx7 s LEU 78 N -1.08 0.24 0.03 0.00 1.43 -1.26 -5.15 118.68 112.89 3hx7 s LEU 78 Ca 0.40 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3hx7 s LEU 78 Cb -0.25 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 3hx7 s LEU 78 CO 0.30 -0.24 0.07 -0.36 0.23 0.00 0.00 176.35 176.36 3hx7 s PHE 79 N 2.08 3.23 0.23 0.29 0.08 -1.26 -4.87 117.98 117.76 3hx7 s PHE 79 Ca 0.04 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.32 3hx7 s PHE 79 Cb -0.12 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 3hx7 s PHE 79 CO -0.03 0.53 -0.15 -0.65 -0.10 0.00 0.00 175.22 174.82 3hx7 s GLN 80 N -1.97 1.45 0.70 0.44 -1.52 -1.26 -5.12 119.66 112.38 3hx7 s GLN 80 Ca 0.25 -1.66 -0.16 0.00 -1.95 0.00 0.00 55.36 51.84 3hx7 s GLN 80 Cb -0.12 -1.29 -0.05 0.00 -0.22 0.00 0.00 33.01 31.33 3hx7 s GLN 80 CO 0.17 0.20 0.50 -0.25 -0.25 0.00 0.00 175.29 175.66 3hx7 n ASP 81 N -0.47 -1.29 -4.36 5.90 10.43 -1.26 -4.94 116.55 120.55 3hx7 n ASP 81 Ca -0.07 0.60 -0.39 0.00 2.57 0.00 0.00 54.79 57.51 3hx7 n ASP 81 Cb 0.61 -1.20 -0.12 0.00 1.84 0.00 0.00 41.12 42.25 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 -1.89 4.26 0.20 0.53 1.01 -1.26 -5.07 121.20 118.97 3hx7 s ILE 82 Ca 0.65 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 60.23 3hx7 s ILE 82 Cb -0.36 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 3hx7 s ILE 82 CO 0.58 -0.06 1.52 -0.54 0.00 0.00 0.00 174.94 176.43 3hx7 s LYS 83 N 1.52 4.23 0.84 2.79 1.02 -1.26 -4.98 119.74 123.91 3hx7 s LYS 83 Ca 0.02 2.34 -0.12 0.00 0.02 0.00 0.00 55.97 58.23 3hx7 s LYS 83 Cb -0.18 -3.14 0.10 0.00 -0.52 0.00 0.00 37.83 34.10 3hx7 s LYS 83 CO 0.05 -0.54 1.19 -1.59 -0.92 0.00 0.00 175.35 173.54 3hx7 s LYS 84 N 0.55 1.42 0.80 1.68 -2.85 -1.26 -4.91 119.74 115.17 3hx7 s LYS 84 Ca 0.66 1.69 -0.14 0.00 -1.00 0.00 0.00 55.97 57.17 3hx7 s LYS 84 Cb -0.43 -1.76 0.03 0.00 -2.06 0.00 0.00 37.83 33.61 3hx7 s LYS 84 CO 0.36 -2.36 0.83 -2.30 0.10 0.00 0.00 175.35 171.97 3hx7 n PRO 85 N -3.62 0.17 -0.11 1.78 -0.02 -1.26 -4.90 135.00 127.04 3hx7 n PRO 85 Ca 0.13 0.12 0.06 0.00 -2.02 0.00 0.00 63.50 61.79 3hx7 n PRO 85 Cb 0.51 -2.12 0.40 0.00 -0.02 0.00 0.00 33.50 32.26 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 -0.79 1.74 -1.69 3.55 0.00 -1.97 -3.44 119.26 116.65 3hx7 h ALA 86 Ca -0.46 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 53.88 3hx7 h ALA 86 Cb 1.31 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 3hx7 h ALA 86 CO 0.43 0.18 -0.58 -1.21 0.00 0.00 0.00 179.25 178.06 3hx7 s GLU 87 N -5.58 1.83 -0.11 0.00 0.41 -1.26 -5.04 118.70 108.96 3hx7 s GLU 87 Ca -0.09 -2.06 -0.02 0.00 -0.41 0.00 0.00 54.97 52.39 3hx7 s GLU 87 Cb 0.19 -1.12 -0.06 0.00 -1.78 0.00 0.00 34.13 31.36 3hx7 s GLU 87 CO 0.75 -0.21 -0.12 -0.25 -0.49 0.00 0.00 175.26 174.95 3hx7 n ASP 88 N -0.91 2.12 -4.37 -0.19 8.00 -1.26 -4.98 116.55 114.96 3hx7 n ASP 88 Ca -0.05 0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.15 3hx7 n ASP 88 Cb 0.67 -0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.21 2.99 -0.24 -1.24 2.02 -1.26 -4.98 118.70 113.79 3hx7 s GLU 89 Ca -0.15 -0.74 0.14 0.00 0.02 0.00 0.00 54.97 54.24 3hx7 s GLU 89 Cb 0.05 -2.46 0.70 0.00 0.10 0.00 0.00 34.13 32.52 3hx7 s GLU 89 CO 0.22 0.35 1.64 0.91 0.02 0.00 0.00 175.26 178.40 3hx7 n TRP 90 N 3.11 1.73 -3.26 1.61 7.02 -1.26 -5.06 117.44 121.33 3hx7 n TRP 90 Ca -0.18 -0.90 0.00 0.00 -1.02 0.00 0.00 57.50 55.40 3hx7 n TRP 90 Cb 0.52 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 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 0.02 2.65 3.93 6.99 0.00 -1.26 -3.83 105.19 113.69 3hx7 n GLY 91 Ca 0.28 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 1.31 0.12 1.61 1.02 -1.26 -4.88 119.74 117.66 3hx7 s LYS 92 Ca 0.00 -0.29 -0.18 0.00 0.02 0.00 0.00 55.97 55.51 3hx7 s LYS 92 Cb 0.00 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3hx7 s LYS 92 CO 0.00 -1.95 1.74 1.15 -0.92 0.00 0.00 175.35 175.37 3hx7 h THR 93 N -1.25 1.11 -0.61 2.17 2.02 -2.00 -1.94 112.91 112.42 3hx7 h THR 93 Ca -0.44 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 3hx7 h THR 93 Cb 1.28 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3hx7 h THR 93 CO 0.49 0.11 0.19 -0.65 0.37 0.00 0.00 175.52 176.03 3hx7 h PRO 94 N 0.35 0.91 -0.62 6.66 0.11 -1.94 -0.12 132.00 137.35 3hx7 h PRO 94 Ca 0.10 -0.18 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 3hx7 h PRO 94 Cb 0.03 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 3hx7 h PRO 94 CO -0.02 0.79 0.18 -0.44 -0.21 0.00 0.00 178.00 178.31 3hx7 h ASP 95 N 0.89 0.88 0.57 -2.05 3.45 -1.81 -0.80 116.42 117.55 3hx7 h ASP 95 Ca 0.20 -0.15 -0.20 0.00 0.43 0.00 0.00 57.03 57.30 3hx7 h ASP 95 Cb 0.26 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 3hx7 h ASP 95 CO -0.01 0.83 -0.90 0.00 -1.57 0.00 0.00 179.24 177.59 3hx7 h ALA 96 N 1.29 0.48 -0.59 3.45 0.00 -0.93 -2.75 119.26 120.21 3hx7 h ALA 96 Ca 0.20 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3hx7 h ALA 96 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hx7 h ALA 96 CO -0.01 0.92 -0.00 1.98 0.00 0.00 0.00 179.25 182.14 3hx7 h MET 97 N 0.12 1.05 0.03 0.00 -1.53 -0.63 -1.83 114.93 112.13 3hx7 h MET 97 Ca -0.05 -0.33 -0.00 0.00 -3.44 0.00 0.00 59.70 55.87 3hx7 h MET 97 Cb 1.54 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 32.50 3hx7 h MET 97 CO 0.14 1.03 -0.01 0.87 0.14 0.00 0.00 176.91 179.08 3hx7 h LYS 98 N 0.94 -0.04 -0.20 0.39 1.57 -1.15 -0.17 116.57 117.91 3hx7 h LYS 98 Ca 0.17 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 3hx7 h LYS 98 Cb 0.56 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3hx7 h LYS 98 CO 0.03 0.05 0.15 0.00 -0.57 0.00 0.00 179.45 179.11 3hx7 h ALA 99 N 0.86 2.18 0.19 3.86 0.00 -1.31 0.25 119.26 125.29 3hx7 h ALA 99 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3hx7 h ALA 99 Cb 0.10 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hx7 h ALA 99 CO 0.01 -0.25 -1.48 0.00 0.00 0.00 0.00 179.25 177.52 3hx7 h ALA 100 N 1.89 0.02 -0.15 0.00 0.00 -0.92 -2.12 119.26 117.98 3hx7 h ALA 100 Ca 0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 3hx7 h ALA 100 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hx7 h ALA 100 CO -0.00 0.88 0.09 1.98 0.00 0.00 0.00 179.25 182.20 3hx7 h MET 101 N 0.11 0.21 -0.30 0.00 -1.53 -0.05 0.37 114.93 113.74 3hx7 h MET 101 Ca -0.24 -0.02 0.06 0.00 -3.44 0.00 0.00 59.70 56.05 3hx7 h MET 101 Cb 2.09 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 33.05 3hx7 h MET 101 CO 0.23 0.20 -0.03 0.00 0.14 0.00 0.00 176.91 177.45 3hx7 h ALA 102 N 1.00 0.24 -0.29 0.39 0.00 -0.60 0.30 119.26 120.29 3hx7 h ALA 102 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hx7 h ALA 102 Cb 0.04 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hx7 h ALA 102 CO -0.01 -0.43 0.16 1.25 0.00 0.00 0.00 179.25 180.22 3hx7 h LEU 103 N 0.06 0.35 -0.10 0.00 5.85 -0.91 -0.95 115.31 119.61 3hx7 h LEU 103 Ca 0.14 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3hx7 h LEU 103 Cb 0.20 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hx7 h LEU 103 CO -0.26 0.28 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.60 3hx7 h GLU 104 N 0.40 0.30 -0.84 1.25 4.39 0.55 -2.29 114.58 118.34 3hx7 h GLU 104 Ca 0.11 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.66 3hx7 h GLU 104 Cb 0.01 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 3hx7 h GLU 104 CO -0.02 0.79 0.55 0.87 -1.16 0.00 0.00 179.01 180.04 3hx7 h LYS 105 N -0.15 0.97 -0.62 2.33 1.57 -0.58 0.27 116.57 120.36 3hx7 h LYS 105 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3hx7 h LYS 105 Cb 0.77 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3hx7 h LYS 105 CO 0.04 0.64 0.29 -0.22 -0.57 0.00 0.00 179.45 179.64 3hx7 h LYS 106 N 1.00 0.88 0.02 3.15 3.64 -1.11 -1.23 116.57 122.91 3hx7 h LYS 106 Ca 0.34 -0.11 -0.26 0.00 -1.27 0.00 0.00 60.65 59.35 3hx7 h LYS 106 Cb 0.10 -0.17 0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3hx7 h LYS 106 CO -0.11 0.68 -1.03 -0.07 -2.27 0.00 0.00 179.45 176.66 3hx7 h LEU 107 N 0.87 0.87 -0.40 5.20 3.38 -0.44 -2.69 115.31 122.10 3hx7 h LEU 107 Ca 0.22 -0.76 0.05 0.00 0.09 0.00 0.00 57.88 57.48 3hx7 h LEU 107 Cb 0.10 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3hx7 h LEU 107 CO -0.03 1.51 0.13 -1.13 0.09 0.00 0.00 178.44 179.01 3hx7 h ASN 108 N 0.31 0.12 0.83 -0.43 -1.24 -0.19 -0.16 115.58 114.82 3hx7 h ASN 108 Ca -0.13 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.89 3hx7 h ASN 108 Cb 1.69 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.78 3hx7 h ASN 108 CO 0.20 0.10 -0.48 -0.61 -1.29 0.00 0.00 177.43 175.35 3hx7 h GLN 109 N 0.28 -1.18 -1.00 6.67 5.75 -1.28 0.36 115.11 124.71 3hx7 h GLN 109 Ca 0.19 0.08 0.24 0.00 -0.15 0.00 0.00 58.65 59.01 3hx7 h GLN 109 Cb 0.18 0.27 -0.09 0.00 1.07 0.00 0.00 27.48 28.91 3hx7 h GLN 109 CO -0.20 -0.78 0.64 0.00 -2.65 0.00 0.00 178.83 175.84 3hx7 h ALA 110 N -1.14 2.13 -0.33 3.38 0.00 -1.27 0.47 119.26 122.50 3hx7 h ALA 110 Ca -0.11 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3hx7 h ALA 110 Cb 0.97 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hx7 h ALA 110 CO 0.13 -0.51 -0.28 -0.07 0.00 0.00 0.00 179.25 178.53 3hx7 h LEU 111 N 0.46 0.81 -1.03 0.00 3.38 -0.37 -1.94 115.31 116.62 3hx7 h LEU 111 Ca 0.56 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hx7 h LEU 111 Cb 1.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3hx7 h LEU 111 CO -0.28 1.10 0.01 -0.07 0.09 0.00 0.00 178.44 179.29 3hx7 h LEU 112 N 0.54 0.68 -0.48 1.67 3.38 0.39 -1.42 115.31 120.06 3hx7 h LEU 112 Ca 0.06 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3hx7 h LEU 112 Cb 0.85 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hx7 h LEU 112 CO 0.07 0.74 -0.22 0.44 0.09 0.00 0.00 178.44 179.56 3hx7 h ASP 113 N 0.67 1.03 0.49 -0.43 3.45 -0.42 -1.57 116.42 119.64 3hx7 h ASP 113 Ca 0.14 -0.40 -0.08 0.00 0.43 0.00 0.00 57.03 57.12 3hx7 h ASP 113 Cb 0.40 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 3hx7 h ASP 113 CO 0.01 1.20 -0.37 0.25 -1.57 0.00 0.00 179.24 178.76 3hx7 h LEU 114 N 0.85 0.00 -0.08 1.55 5.85 -1.07 0.25 115.31 122.66 3hx7 h LEU 114 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hx7 h LEU 114 Cb 0.80 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3hx7 h LEU 114 CO 0.07 0.37 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.77 3hx7 h HIS 115 N 0.00 0.18 -0.07 1.25 2.76 -0.81 -2.31 115.15 116.16 3hx7 h HIS 115 Ca -0.00 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3hx7 h HIS 115 Cb 0.71 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 3hx7 h HIS 115 CO 0.00 0.48 -0.17 0.00 -1.30 0.00 0.00 177.93 176.94 3hx7 h ALA 116 N 0.67 -0.16 -0.59 5.26 0.00 -0.95 -0.72 119.26 122.77 3hx7 h ALA 116 Ca 0.02 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.12 3hx7 h ALA 116 Cb 0.42 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hx7 h ALA 116 CO 0.01 -0.64 0.42 1.25 0.00 0.00 0.00 179.25 180.28 3hx7 h LEU 117 N -0.25 0.05 -0.13 0.00 5.85 -0.90 0.37 115.31 120.30 3hx7 h LEU 117 Ca 0.08 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.58 3hx7 h LEU 117 Cb 0.35 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hx7 h LEU 117 CO -0.21 0.03 -0.98 1.23 -0.34 0.00 0.00 178.44 178.17 3hx7 h GLY 118 N 0.05 0.15 1.03 3.75 0.00 -0.57 -2.31 103.07 105.18 3hx7 h GLY 118 Ca 0.28 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3hx7 h GLY 118 CO -0.02 0.28 -0.22 1.76 0.00 0.00 0.00 176.54 178.35 3hx7 h SER 119 N 0.06 0.87 -0.90 0.19 0.02 -0.18 0.32 113.55 113.93 3hx7 h SER 119 Ca -0.05 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 3hx7 h SER 119 Cb 1.66 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.92 3hx7 h SER 119 CO 0.14 1.10 0.51 0.00 -1.14 0.00 0.00 176.83 177.44 3hx7 h ALA 120 N 0.80 1.20 -0.42 3.77 0.00 -1.24 -1.46 119.26 121.91 3hx7 h ALA 120 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hx7 h ALA 120 Cb 0.78 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hx7 h ALA 120 CO 0.06 0.66 0.00 0.54 0.00 0.00 0.00 179.25 180.51 3hx7 n ARG 121 N -4.34 2.68 -3.98 0.00 5.12 -0.87 -4.94 116.66 110.32 3hx7 n ARG 121 Ca 0.10 -1.81 -0.26 0.00 -1.93 0.00 0.00 57.85 53.95 3hx7 n ARG 121 Cb 0.09 -1.63 -0.02 0.00 -1.16 0.00 0.00 32.46 29.73 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 0.66 -2.86 -3.56 0.55 -2.24 -0.55 -4.93 114.28 101.35 3hx7 n THR 122 Ca 0.16 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 3hx7 n THR 122 Cb 0.59 -2.53 -0.06 0.00 -2.10 0.00 0.00 70.33 66.22 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 -4.31 5.90 0.24 3.42 -1.08 0.10 -4.93 116.67 116.01 3hx7 s ASP 123 Ca 0.05 -2.87 -0.05 0.00 -0.52 0.00 0.00 52.55 49.16 3hx7 s ASP 123 Cb -0.03 -2.00 0.25 0.00 -1.46 0.00 0.00 42.92 39.68 3hx7 s ASP 123 CO 0.89 -0.43 1.75 1.55 0.52 0.00 0.00 175.17 179.46 3hx7 h PRO 124 N 7.23 0.97 0.14 4.34 0.13 -1.92 -2.78 132.00 140.11 3hx7 h PRO 124 Ca 0.05 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3hx7 h PRO 124 Cb 0.98 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hx7 h PRO 124 CO 0.74 0.89 -0.08 1.25 -0.23 0.00 0.00 178.00 180.56 3hx7 h HIS 125 N 0.92 -0.21 -0.33 1.56 2.76 -1.97 0.37 115.15 118.25 3hx7 h HIS 125 Ca 0.19 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 3hx7 h HIS 125 Cb 0.38 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3hx7 h HIS 125 CO 0.02 -0.13 0.22 1.25 -1.30 0.00 0.00 177.93 178.00 3hx7 h LEU 126 N -0.22 0.21 -0.16 0.26 5.85 -1.95 0.17 115.31 119.48 3hx7 h LEU 126 Ca -0.01 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 3hx7 h LEU 126 Cb 0.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hx7 h LEU 126 CO 0.02 0.14 -0.49 0.00 -0.34 0.00 0.00 178.44 177.77 3hx7 h ASP 128 N 0.26 0.22 -0.93 0.00 3.58 -0.07 -0.20 116.42 119.27 3hx7 h ASP 128 Ca -0.02 -0.15 0.19 0.00 0.42 0.00 0.00 57.03 57.48 3hx7 h ASP 128 Cb 1.11 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.03 3hx7 h ASP 128 CO 0.10 0.31 0.60 0.15 -2.88 0.00 0.00 179.24 177.52 3hx7 h PHE 129 N 0.11 0.72 0.04 0.28 3.04 -0.71 0.65 116.94 121.07 3hx7 h PHE 129 Ca 0.05 0.02 -0.27 0.00 3.98 0.00 0.00 57.97 61.75 3hx7 h PHE 129 Cb 0.15 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 3hx7 h PHE 129 CO -0.02 0.19 -1.43 -0.07 -2.02 0.00 0.00 178.31 174.97 3hx7 h LEU 130 N 0.54 0.14 -0.60 0.59 3.38 -1.03 -3.02 115.31 115.31 3hx7 h LEU 130 Ca 0.50 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 3hx7 h LEU 130 Cb 1.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3hx7 h LEU 130 CO -0.23 1.17 0.02 -0.33 0.09 0.00 0.00 178.44 179.16 3hx7 h GLU 131 N 0.03 1.05 0.04 1.13 5.08 0.15 -1.64 114.58 120.42 3hx7 h GLU 131 Ca -0.19 -0.33 -0.21 0.00 -1.00 0.00 0.00 59.36 57.63 3hx7 h GLU 131 Cb 1.94 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 31.11 3hx7 h GLU 131 CO 0.12 1.02 -0.86 1.15 -1.00 0.00 0.00 179.01 179.45 3hx7 h THR 132 N 0.95 1.37 -0.01 1.13 2.02 -1.03 -3.38 112.91 113.96 3hx7 h THR 132 Ca 0.17 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 65.11 3hx7 h THR 132 Cb 0.54 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 3hx7 h THR 132 CO 0.03 0.67 -0.29 1.41 0.37 0.00 0.00 175.52 177.70 3hx7 n HIS 133 N -4.04 0.00 0.00 3.16 8.25 -1.14 -4.88 115.22 116.57 3hx7 n HIS 133 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3hx7 n HIS 133 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.48 0.00 -0.02 4.41 3.72 -1.05 -4.72 117.46 119.34 3hx7 n PHE 134 Ca 0.04 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.35 3hx7 n PHE 134 Cb 0.21 0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 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 -0.25 -0.42 4.37 3.38 -1.49 -0.34 115.31 120.56 3hx7 h LEU 135 Ca 0.00 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3hx7 h LEU 135 Cb 0.51 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hx7 h LEU 135 CO 0.00 -0.10 -0.51 -0.78 0.09 0.00 0.00 178.44 177.13 3hx7 h ASP 136 N -0.06 0.83 -0.88 -0.43 -0.00 -1.84 -1.80 116.42 112.24 3hx7 h ASP 136 Ca 0.08 -0.43 0.08 0.00 -0.00 0.00 0.00 57.03 56.76 3hx7 h ASP 136 Cb 0.19 -0.24 -0.07 0.00 -0.00 0.00 0.00 39.33 39.21 3hx7 h ASP 136 CO -0.19 1.19 0.54 -0.33 -0.00 0.00 0.00 179.24 180.45 3hx7 h GLU 137 N 0.59 0.92 -0.31 0.28 4.39 -1.80 -1.49 114.58 117.15 3hx7 h GLU 137 Ca 0.02 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 3hx7 h GLU 137 Cb 1.09 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3hx7 h GLU 137 CO 0.11 0.61 -0.01 0.93 -1.16 0.00 0.00 179.01 179.49 3hx7 h GLU 138 N 0.95 0.56 -0.13 2.33 4.39 -0.77 -1.81 114.58 120.08 3hx7 h GLU 138 Ca 0.40 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.94 3hx7 h GLU 138 Cb 0.25 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3hx7 h GLU 138 CO -0.20 0.70 -0.02 0.28 -1.16 0.00 0.00 179.01 178.61 3hx7 h VAL 139 N 0.35 0.88 0.13 3.13 2.07 -0.73 -0.24 116.25 121.84 3hx7 h VAL 139 Ca 0.09 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3hx7 h VAL 139 Cb 0.46 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3hx7 h VAL 139 CO 0.02 0.00 -0.06 0.11 0.02 0.00 0.00 177.57 177.66 3hx7 h LYS 140 N 0.01 -0.17 -1.00 1.57 1.57 -1.28 -0.52 116.57 116.77 3hx7 h LYS 140 Ca 0.06 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 3hx7 h LYS 140 Cb 0.09 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 3hx7 h LYS 140 CO -0.12 -0.08 0.63 1.25 -0.57 0.00 0.00 179.45 180.56 3hx7 h LEU 141 N -0.21 0.94 -0.27 2.94 5.85 -1.18 0.24 115.31 123.61 3hx7 h LEU 141 Ca -0.02 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 3hx7 h LEU 141 Cb 0.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hx7 h LEU 141 CO 0.03 0.53 -0.50 0.40 -0.34 0.00 0.00 178.44 178.55 3hx7 h ILE 142 N 1.02 1.29 -0.80 4.05 2.04 -0.73 -1.32 117.51 123.06 3hx7 h ILE 142 Ca 0.48 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3hx7 h ILE 142 Cb 0.42 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 3hx7 h ILE 142 CO -0.24 0.55 0.52 0.50 0.00 0.00 0.00 178.15 179.48 3hx7 h LYS 143 N 0.58 0.99 0.01 2.37 1.63 -0.02 0.17 116.57 122.31 3hx7 h LYS 143 Ca 0.01 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3hx7 h LYS 143 Cb 1.11 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 3hx7 h LYS 143 CO 0.11 0.65 -0.09 -0.22 -3.45 0.00 0.00 179.45 176.46 3hx7 h LYS 144 N 1.02 -0.15 -0.18 1.90 3.64 -0.32 -1.34 116.57 121.13 3hx7 h LYS 144 Ca 0.31 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3hx7 h LYS 144 Cb -0.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3hx7 h LYS 144 CO -0.10 -0.10 0.02 0.52 -2.27 0.00 0.00 179.45 177.52 3hx7 h MET 145 N -0.16 0.26 -0.03 1.90 2.86 -0.48 -1.77 114.93 117.51 3hx7 h MET 145 Ca 0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hx7 h MET 145 Cb 0.19 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3hx7 h MET 145 CO -0.08 0.26 0.00 0.78 1.06 0.00 0.00 176.91 178.94 3hx7 h GLY 146 N 0.48 0.06 0.46 8.32 0.00 -0.25 -1.53 103.07 110.61 3hx7 h GLY 146 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.42 3hx7 h GLY 146 CO -0.00 0.04 0.06 -0.55 0.00 0.00 0.00 176.54 176.09 3hx7 h ASP 147 N -0.21 -0.03 0.44 0.19 3.32 -0.84 -0.86 116.42 118.43 3hx7 h ASP 147 Ca 0.01 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hx7 h ASP 147 Cb 0.28 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3hx7 h ASP 147 CO 0.00 0.02 -0.43 0.45 -1.72 0.00 0.00 179.24 177.56 3hx7 h HIS 148 N 0.19 -1.18 -0.82 4.55 3.86 -1.21 -0.66 115.15 119.87 3hx7 h HIS 148 Ca 0.20 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.62 3hx7 h HIS 148 Cb 0.25 0.46 -0.13 0.00 1.06 0.00 0.00 27.41 29.05 3hx7 h HIS 148 CO -0.22 -0.59 0.22 -0.07 0.86 0.00 0.00 177.93 178.13 3hx7 h LEU 149 N -0.88 0.03 0.44 2.43 3.38 -0.87 0.53 115.31 120.37 3hx7 h LEU 149 Ca -0.04 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hx7 h LEU 149 Cb 0.78 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hx7 h LEU 149 CO -0.06 -0.09 -0.21 0.74 0.09 0.00 0.00 178.44 178.91 3hx7 h THR 150 N 0.26 0.57 -0.37 0.22 2.02 -0.73 -1.50 112.91 113.37 3hx7 h THR 150 Ca 0.49 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.69 3hx7 h THR 150 Cb 0.92 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3hx7 h THR 150 CO -0.58 0.00 0.19 0.78 0.37 0.00 0.00 175.52 176.28 3hx7 h ASN 151 N -0.60 0.30 -0.81 4.18 2.35 0.48 -1.99 115.58 119.49 3hx7 h ASN 151 Ca -0.06 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3hx7 h ASN 151 Cb 0.46 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 3hx7 h ASN 151 CO 0.10 0.22 0.53 -0.07 -1.65 0.00 0.00 177.43 176.55 3hx7 h LEU 152 N 0.40 0.70 -0.71 1.61 3.38 0.13 -0.16 115.31 120.66 3hx7 h LEU 152 Ca 0.15 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3hx7 h LEU 152 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hx7 h LEU 152 CO -0.09 0.43 -0.64 -0.74 0.09 0.00 0.00 178.44 177.49 3hx7 h HIS 153 N 0.78 0.04 0.00 1.13 2.76 -0.72 -2.80 115.15 116.34 3hx7 h HIS 153 Ca 0.37 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 3hx7 h HIS 153 Cb 0.39 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 3hx7 h HIS 153 CO -0.00 0.66 -0.07 -0.09 -1.30 0.00 0.00 177.93 177.12 3hx7 h ARG 154 N 0.02 0.00 -2.55 5.26 2.43 -0.32 -3.33 114.38 115.89 3hx7 h ARG 154 Ca -0.01 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 3hx7 h ARG 154 Cb 1.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 3hx7 h ARG 154 CO 0.08 0.07 2.01 1.28 -1.51 0.00 0.00 179.97 181.91 3hx7 n LEU 155 N -3.28 7.32 0.00 3.80 4.32 -0.95 -4.32 117.00 123.89 3hx7 n LEU 155 Ca -0.01 -3.98 0.00 0.00 -0.02 0.00 0.00 56.01 52.01 3hx7 n LEU 155 Cb 0.28 -1.47 0.00 0.00 -1.62 0.00 0.00 43.42 40.60 3hx7 n LEU 155 CO 0.28 1.92 0.00 0.61 -1.22 0.00 0.00 177.39 178.98 3hx7 n GLY 156 N 2.86 0.04 0.00 -0.72 0.00 -1.25 -5.07 105.19 101.04 3hx7 n GLY 156 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 1.99 0.84 3.69 -0.02 0.00 -1.26 -4.98 105.19 105.44 3hx7 n GLY 157 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3hx7 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hx7 n PRO 158 N 0.00 1.64 -0.26 1.61 -0.04 -1.26 -5.12 135.00 131.56 3hx7 n PRO 158 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3hx7 n PRO 158 Cb 0.00 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 3hx7 n PRO 158 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85