#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 5.62 0.56 6.12 0.15 -1.26 -5.09 113.70 119.81 3hx7 s SER 2 Ca 0.00 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.03 3hx7 s SER 2 Cb 0.00 -0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 63.48 3hx7 s SER 2 CO 0.00 -0.65 1.19 -0.55 1.20 0.00 0.00 173.24 174.43 3hx7 s SER 3 N -4.26 5.43 0.51 5.45 0.15 -1.26 -4.94 113.70 114.77 3hx7 s SER 3 Ca 0.51 2.35 0.33 0.00 0.70 0.00 0.00 55.95 59.84 3hx7 s SER 3 Cb -0.09 -2.60 1.37 0.00 -1.71 0.00 0.00 66.02 62.99 3hx7 s SER 3 CO 0.32 -1.43 1.96 -0.61 1.20 0.00 0.00 173.24 174.68 3hx7 h GLN 4 N 1.12 0.00 0.00 5.44 4.15 -1.98 -3.23 115.11 120.60 3hx7 h GLN 4 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3hx7 h GLN 4 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 3hx7 h GLN 4 CO 0.56 0.00 -0.08 0.44 -1.93 0.00 0.00 178.83 177.82 3hx7 n ILE 5 N -2.95 0.00 -1.66 2.39 -5.35 -1.26 -5.06 119.36 105.48 3hx7 n ILE 5 Ca 0.01 -0.46 -0.46 0.00 -0.27 0.00 0.00 62.75 61.56 3hx7 n ILE 5 Cb 0.28 0.98 -0.03 0.00 -1.74 0.00 0.00 39.64 39.12 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 -1.04 1.93 -3.34 6.28 0.63 -1.22 -4.86 116.66 115.03 3hx7 n ARG 6 Ca 0.00 0.69 0.02 0.00 -0.92 0.00 0.00 57.85 57.64 3hx7 n ARG 6 Cb 0.01 -2.36 -0.02 0.00 0.45 0.00 0.00 32.46 30.54 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 0.02 0.56 -1.33 -0.14 0.74 -1.26 -4.92 119.66 113.33 3hx7 s GLN 7 Ca 0.73 1.15 0.00 0.00 0.05 0.00 0.00 55.36 57.28 3hx7 s GLN 7 Cb -0.70 0.63 0.00 0.00 1.10 0.00 0.00 33.01 34.04 3hx7 s GLN 7 CO 0.46 -0.47 0.00 -1.71 -0.55 0.00 0.00 175.29 173.02 3hx7 n ASN 8 N 5.43 -4.49 -4.21 6.67 5.15 -1.26 -4.98 115.26 117.57 3hx7 n ASN 8 Ca -0.05 0.12 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 3hx7 n ASN 8 Cb 0.50 -3.50 -0.08 0.00 -0.53 0.00 0.00 39.78 36.17 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 -2.65 3.45 0.45 1.20 5.04 -1.26 -4.79 117.35 118.79 3hx7 s TYR 9 Ca 0.00 -1.96 -0.24 0.00 -2.44 0.00 0.00 57.07 52.43 3hx7 s TYR 9 Cb 0.00 -3.50 -0.08 0.00 0.35 0.00 0.00 41.96 38.73 3hx7 s TYR 9 CO 0.00 -0.98 1.29 -1.54 -1.34 0.00 0.00 175.55 172.98 3hx7 s SER 10 N 2.47 6.06 0.43 4.32 1.04 -1.26 -4.91 113.70 121.85 3hx7 s SER 10 Ca 0.08 2.61 0.15 0.00 0.48 0.00 0.00 55.95 59.27 3hx7 s SER 10 Cb -0.25 -2.63 0.95 0.00 0.10 0.00 0.00 66.02 64.19 3hx7 s SER 10 CO -0.02 -1.02 1.95 0.71 0.98 0.00 0.00 173.24 175.85 3hx7 h THR 11 N 2.14 1.14 -0.74 2.02 1.35 -1.99 -1.66 112.91 115.17 3hx7 h THR 11 Ca -0.50 -0.80 -0.06 0.00 -0.55 0.00 0.00 66.41 64.50 3hx7 h THR 11 Cb 1.26 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 3hx7 h THR 11 CO 0.61 0.23 0.21 0.44 -0.25 0.00 0.00 175.52 176.76 3hx7 h ASP 12 N 0.00 1.09 -0.04 5.36 3.45 -1.99 -1.46 116.42 122.82 3hx7 h ASP 12 Ca -0.00 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.22 3hx7 h ASP 12 Cb 0.42 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3hx7 h ASP 12 CO 0.03 1.02 -0.07 0.58 -1.57 0.00 0.00 179.24 179.23 3hx7 h VAL 13 N 1.10 1.42 -0.80 -1.35 2.07 -1.79 -1.37 116.25 115.53 3hx7 h VAL 13 Ca 0.24 -1.35 0.19 0.00 0.82 0.00 0.00 66.70 66.59 3hx7 h VAL 13 Cb 0.33 2.24 -0.13 0.00 -1.52 0.00 0.00 31.29 32.21 3hx7 h VAL 13 CO -0.00 0.37 0.12 -0.08 0.02 0.00 0.00 177.57 177.99 3hx7 h GLU 14 N -0.40 0.17 -0.39 1.57 4.81 -1.18 0.35 114.58 119.51 3hx7 h GLU 14 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3hx7 h GLU 14 Cb 0.63 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3hx7 h GLU 14 CO 0.02 0.11 -0.03 0.00 -0.73 0.00 0.00 179.01 178.38 3hx7 h ALA 15 N 1.72 0.52 0.00 2.92 0.00 -1.21 -2.34 119.26 120.87 3hx7 h ALA 15 Ca 0.47 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hx7 h ALA 15 Cb 0.86 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3hx7 h ALA 15 CO -0.64 0.32 -0.25 0.00 0.00 0.00 0.00 179.25 178.68 3hx7 h ALA 16 N 0.86 1.45 0.09 0.00 0.00 0.68 -1.22 119.26 121.12 3hx7 h ALA 16 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hx7 h ALA 16 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hx7 h ALA 16 CO 0.02 0.32 -0.04 0.28 0.00 0.00 0.00 179.25 179.83 3hx7 h VAL 17 N 0.00 1.17 -0.86 0.00 2.07 -0.35 0.15 116.25 118.43 3hx7 h VAL 17 Ca -0.00 -1.14 0.14 0.00 0.82 0.00 0.00 66.70 66.51 3hx7 h VAL 17 Cb 0.49 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3hx7 h VAL 17 CO 0.03 0.27 0.56 0.78 0.02 0.00 0.00 177.57 179.23 3hx7 h ASN 18 N -0.66 0.62 -0.10 0.57 2.35 -1.22 0.23 115.58 117.37 3hx7 h ASN 18 Ca -0.01 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3hx7 h ASN 18 Cb 0.53 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3hx7 h ASN 18 CO 0.02 0.32 -0.00 -1.28 -1.65 0.00 0.00 177.43 174.84 3hx7 h SER 19 N 0.66 0.18 -0.57 5.81 0.87 -1.10 -2.75 113.55 116.65 3hx7 h SER 19 Ca 0.42 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3hx7 h SER 19 Cb 0.69 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 3hx7 h SER 19 CO -0.18 0.45 0.31 0.25 -0.53 0.00 0.00 176.83 177.13 3hx7 h LEU 20 N -0.09 0.74 -0.08 2.23 5.85 0.80 -1.40 115.31 123.35 3hx7 h LEU 20 Ca 0.03 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3hx7 h LEU 20 Cb 0.36 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hx7 h LEU 20 CO 0.01 0.61 -0.01 0.58 -0.34 0.00 0.00 178.44 179.29 3hx7 h VAL 21 N 0.83 0.93 -0.93 1.05 2.07 -0.51 0.02 116.25 119.70 3hx7 h VAL 21 Ca 0.21 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.77 3hx7 h VAL 21 Cb 0.05 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3hx7 h VAL 21 CO -0.03 0.00 0.60 -1.13 0.02 0.00 0.00 177.57 177.03 3hx7 h ASN 22 N 0.02 0.98 -0.14 0.57 -0.73 -1.14 0.17 115.58 115.30 3hx7 h ASN 22 Ca 0.04 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 3hx7 h ASN 22 Cb 0.05 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 3hx7 h ASN 22 CO -0.07 0.65 -0.01 0.25 -0.37 0.00 0.00 177.43 177.87 3hx7 h LEU 23 N 1.13 0.36 0.09 0.34 5.85 -0.49 -0.01 115.31 122.57 3hx7 h LEU 23 Ca 0.39 -0.06 -0.29 0.00 0.84 0.00 0.00 57.88 58.76 3hx7 h LEU 23 Cb 0.08 -0.09 0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hx7 h LEU 23 CO -0.14 0.43 -1.17 1.88 -0.34 0.00 0.00 178.44 179.09 3hx7 h TYR 24 N 0.38 1.01 -0.50 1.25 -1.99 0.54 -2.19 116.97 115.47 3hx7 h TYR 24 Ca 0.08 -0.61 -0.02 0.00 2.00 0.00 0.00 58.73 60.18 3hx7 h TYR 24 Cb 0.27 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 3hx7 h TYR 24 CO 0.01 1.45 0.24 -0.07 -0.00 0.00 0.00 178.16 179.79 3hx7 h LEU 25 N 0.29 0.62 -0.08 3.88 3.38 -0.38 -0.11 115.31 122.90 3hx7 h LEU 25 Ca -0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hx7 h LEU 25 Cb 1.85 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 3hx7 h LEU 25 CO 0.23 0.53 -0.00 -0.61 0.09 0.00 0.00 178.44 178.67 3hx7 h GLN 26 N 0.69 0.15 -0.78 1.13 4.15 -0.93 -1.70 115.11 117.81 3hx7 h GLN 26 Ca 0.17 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 3hx7 h GLN 26 Cb 0.08 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 3hx7 h GLN 26 CO -0.02 0.42 0.44 0.00 -1.93 0.00 0.00 178.83 177.74 3hx7 h ALA 27 N 0.72 1.00 -0.89 3.38 0.00 -1.08 -1.06 119.26 121.33 3hx7 h ALA 27 Ca 0.02 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3hx7 h ALA 27 Cb 0.36 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3hx7 h ALA 27 CO 0.00 0.50 0.56 1.03 0.00 0.00 0.00 179.25 181.34 3hx7 h SER 28 N 1.08 0.88 -0.42 0.00 0.87 -0.89 -0.39 113.55 114.68 3hx7 h SER 28 Ca 0.28 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 3hx7 h SER 28 Cb 0.01 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3hx7 h SER 28 CO -0.05 0.57 -0.00 0.22 -0.53 0.00 0.00 176.83 177.04 3hx7 h TYR 29 N 1.02 0.80 -0.68 2.24 3.20 -0.69 -0.78 116.97 122.08 3hx7 h TYR 29 Ca 0.38 -0.14 0.07 0.00 3.14 0.00 0.00 58.73 62.18 3hx7 h TYR 29 Cb 0.16 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 3hx7 h TYR 29 CO -0.03 0.80 0.37 1.15 -1.64 0.00 0.00 178.16 178.82 3hx7 h THR 30 N 0.57 0.94 -0.16 1.81 2.02 -0.16 -1.37 112.91 116.56 3hx7 h THR 30 Ca 0.12 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 3hx7 h THR 30 Cb 0.49 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3hx7 h THR 30 CO 0.02 0.12 -0.38 1.88 0.37 0.00 0.00 175.52 177.53 3hx7 h TYR 31 N 0.67 0.40 -0.68 3.16 0.05 -0.84 -0.83 116.97 118.90 3hx7 h TYR 31 Ca 0.31 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.93 3hx7 h TYR 31 Cb 0.22 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3hx7 h TYR 31 CO -0.08 0.68 0.21 1.25 -1.05 0.00 0.00 178.16 179.17 3hx7 h LEU 32 N 0.29 0.96 0.34 3.88 5.85 -0.26 -0.07 115.31 126.31 3hx7 h LEU 32 Ca 0.03 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3hx7 h LEU 32 Cb 0.81 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3hx7 h LEU 32 CO 0.06 0.90 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.62 3hx7 h SER 33 N 1.00 -0.39 -0.97 1.25 0.87 -0.89 -2.48 113.55 111.93 3hx7 h SER 33 Ca 0.22 -0.16 0.19 0.00 -1.23 0.00 0.00 61.79 60.80 3hx7 h SER 33 Cb 0.28 0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 62.23 3hx7 h SER 33 CO -0.01 0.02 0.57 -0.07 -0.53 0.00 0.00 176.83 176.81 3hx7 h LEU 34 N -0.89 0.72 0.67 2.23 3.38 -1.08 -0.37 115.31 119.97 3hx7 h LEU 34 Ca -0.05 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hx7 h LEU 34 Cb 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hx7 h LEU 34 CO 0.08 0.25 -0.36 1.23 0.09 0.00 0.00 178.44 179.72 3hx7 h GLY 35 N 0.72 -1.01 2.00 0.83 0.00 -0.93 -2.88 103.07 101.80 3hx7 h GLY 35 Ca 0.56 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 48.28 3hx7 h GLY 35 CO -0.39 -0.36 -0.04 0.74 0.00 0.00 0.00 176.54 176.48 3hx7 h PHE 36 N -0.95 0.00 -0.22 5.60 -1.00 -0.86 -2.88 116.94 116.62 3hx7 h PHE 36 Ca -0.09 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 3hx7 h PHE 36 Cb 0.75 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 3hx7 h PHE 36 CO -0.06 0.04 0.01 -0.92 -1.61 0.00 0.00 178.31 175.77 3hx7 h TYR 37 N 0.00 0.42 0.00 -0.55 3.20 -0.92 -2.51 116.97 116.62 3hx7 h TYR 37 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3hx7 h TYR 37 Cb 0.45 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3hx7 h TYR 37 CO 0.00 0.56 0.00 1.19 -1.64 0.00 0.00 178.16 178.27 3hx7 n PHE 38 N -4.67 0.00 1.22 -3.82 3.72 -1.09 -1.83 117.46 110.99 3hx7 n PHE 38 Ca -0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.49 3hx7 n PHE 38 Cb 0.23 -0.44 0.31 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.44 1.37 -4.74 4.37 4.64 -0.95 -2.01 116.55 117.79 3hx7 n ASP 39 Ca 0.05 -1.15 -0.41 0.00 -1.38 0.00 0.00 54.79 51.90 3hx7 n ASP 39 Cb 0.16 0.18 -0.02 0.00 -1.04 0.00 0.00 41.12 40.39 3hx7 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx7 s ARG 40 N -2.40 4.29 0.55 -0.67 0.52 -0.76 -4.75 118.95 115.74 3hx7 s ARG 40 Ca 0.25 2.25 0.32 0.00 -0.52 0.00 0.00 55.73 58.04 3hx7 s ARG 40 Cb 0.19 -3.13 1.48 0.00 0.52 0.00 0.00 34.95 34.01 3hx7 s ARG 40 CO 0.49 -0.38 1.84 0.38 0.02 0.00 0.00 175.30 177.65 3hx7 h ASP 41 N 5.09 0.00 -0.16 0.23 2.03 -1.90 0.25 116.42 121.96 3hx7 h ASP 41 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3hx7 h ASP 41 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hx7 h ASP 41 CO 0.77 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 178.08 3hx7 n ASP 42 N -4.07 1.31 0.00 4.15 3.85 -1.26 -3.96 116.55 116.57 3hx7 n ASP 42 Ca 0.19 -1.72 0.00 0.00 -0.71 0.00 0.00 54.79 52.55 3hx7 n ASP 42 Cb 1.02 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.69 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 0.11 0.00 -3.97 2.12 0.31 0.65 -5.08 118.33 112.47 3hx7 n VAL 43 Ca 0.14 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.09 3hx7 n VAL 43 Cb 0.26 -1.23 0.01 0.00 -0.91 0.00 0.00 33.84 31.97 3hx7 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx7 n ALA 44 N -2.86 -2.71 -3.48 3.52 0.00 0.09 -4.97 120.51 110.10 3hx7 n ALA 44 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 3hx7 n ALA 44 Cb 0.50 -1.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.11 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 -4.02 1.23 -0.30 0.00 4.77 -0.85 -4.96 117.00 112.86 3hx7 n LEU 45 Ca -0.21 -4.83 0.22 0.00 -0.03 0.00 0.00 56.01 51.17 3hx7 n LEU 45 Cb 0.62 0.05 0.52 0.00 -2.33 0.00 0.00 43.42 42.27 3hx7 n LEU 45 CO 0.70 1.91 1.22 -0.08 -1.33 0.00 0.00 177.39 179.82 3hx7 h GLU 46 N 4.96 0.38 0.22 3.23 4.81 -1.93 -0.81 114.58 125.43 3hx7 h GLU 46 Ca 0.18 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3hx7 h GLU 46 Cb 0.82 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3hx7 h GLU 46 CO 0.55 0.25 -0.18 0.78 -0.73 0.00 0.00 179.01 179.68 3hx7 h GLY 47 N 0.39 -0.42 1.68 1.92 0.00 -1.94 0.13 103.07 104.83 3hx7 h GLY 47 Ca 0.56 0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.99 3hx7 h GLY 47 CO -0.25 -0.18 -0.37 -2.08 0.00 0.00 0.00 176.54 173.65 3hx7 h VAL 48 N -0.42 1.30 0.78 4.60 2.07 -1.70 -1.97 116.25 120.91 3hx7 h VAL 48 Ca -0.01 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 3hx7 h VAL 48 Cb 0.38 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3hx7 h VAL 48 CO -0.02 0.45 -0.50 -1.28 0.02 0.00 0.00 177.57 176.24 3hx7 h SER 49 N 0.30 -1.26 -0.96 0.57 0.87 -0.81 -2.18 113.55 110.08 3hx7 h SER 49 Ca 0.03 0.07 0.12 0.00 -1.23 0.00 0.00 61.79 60.78 3hx7 h SER 49 Cb 0.80 0.37 -0.08 0.00 -0.44 0.00 0.00 62.40 63.06 3hx7 h SER 49 CO 0.06 -0.75 0.61 -0.74 -0.53 0.00 0.00 176.83 175.48 3hx7 h HIS 50 N -1.20 1.05 0.38 2.24 6.17 -0.90 -0.68 115.15 122.21 3hx7 h HIS 50 Ca -0.10 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.00 3hx7 h HIS 50 Cb 0.97 -0.33 -0.03 0.00 2.52 0.00 0.00 27.41 30.53 3hx7 h HIS 50 CO -0.12 0.42 -0.51 0.35 0.71 0.00 0.00 177.93 178.78 3hx7 h PHE 51 N 0.92 -1.44 -0.46 5.26 3.57 -0.97 -0.29 116.94 123.54 3hx7 h PHE 51 Ca 0.47 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.92 3hx7 h PHE 51 Cb 0.51 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 3hx7 h PHE 51 CO -0.00 -0.65 -0.01 0.74 -2.23 0.00 0.00 178.31 176.16 3hx7 h PHE 52 N -0.92 0.80 -0.22 0.41 -1.00 -0.91 -1.85 116.94 113.25 3hx7 h PHE 52 Ca -0.04 -0.11 0.01 0.00 2.81 0.00 0.00 57.97 60.64 3hx7 h PHE 52 Cb 0.84 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 3hx7 h PHE 52 CO -0.32 0.75 0.14 0.00 -1.61 0.00 0.00 178.31 177.28 3hx7 h ARG 53 N 0.70 0.26 0.46 1.51 3.08 -0.77 0.27 114.38 119.89 3hx7 h ARG 53 Ca 0.14 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3hx7 h ARG 53 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hx7 h ARG 53 CO 0.02 0.17 -0.22 0.93 -1.07 0.00 0.00 179.97 179.80 3hx7 h GLU 54 N 0.27 -0.59 -1.01 0.04 5.08 -0.28 -2.80 114.58 115.28 3hx7 h GLU 54 Ca 0.08 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.76 3hx7 h GLU 54 Cb 0.01 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.26 3hx7 h GLU 54 CO -0.02 -0.32 0.59 -0.07 -1.00 0.00 0.00 179.01 178.20 3hx7 h LEU 55 N -1.07 0.60 -0.30 1.33 3.38 -0.68 0.40 115.31 118.97 3hx7 h LEU 55 Ca -0.06 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3hx7 h LEU 55 Cb 0.55 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3hx7 h LEU 55 CO 0.10 0.00 0.09 0.00 0.09 0.00 0.00 178.44 178.73 3hx7 h ALA 56 N 1.77 0.34 0.00 1.53 0.00 -0.41 -1.71 119.26 120.78 3hx7 h ALA 56 Ca 0.68 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 3hx7 h ALA 56 Cb 1.44 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3hx7 h ALA 56 CO -0.52 -0.31 -0.25 1.49 0.00 0.00 0.00 179.25 179.66 3hx7 h GLU 57 N 0.22 0.00 -0.18 0.00 4.57 0.00 -2.56 114.58 116.64 3hx7 h GLU 57 Ca 0.14 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.12 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 -0.15 0.25 -0.68 0.93 -1.18 0.00 0.00 179.01 178.18 3hx7 h GLU 58 N 0.00 0.70 -0.04 1.92 5.08 -0.31 -2.25 114.58 119.68 3hx7 h GLU 58 Ca -0.00 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 3hx7 h GLU 58 Cb 0.65 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3hx7 h GLU 58 CO 0.03 1.13 -0.32 0.87 -1.00 0.00 0.00 179.01 179.72 3hx7 h LYS 59 N 0.50 0.07 -0.21 2.33 1.79 -1.08 -0.02 116.57 119.95 3hx7 h LYS 59 Ca -0.02 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 3hx7 h LYS 59 Cb 1.28 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 3hx7 h LYS 59 CO 0.14 0.39 0.01 -0.09 -1.08 0.00 0.00 179.45 178.82 3hx7 h ARG 60 N 0.06 0.37 0.00 3.15 2.43 -1.26 -1.03 114.38 118.10 3hx7 h ARG 60 Ca 0.01 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3hx7 h ARG 60 Cb 0.61 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hx7 h ARG 60 CO 0.04 0.55 -0.13 0.93 -1.51 0.00 0.00 179.97 179.85 3hx7 h GLU 61 N 0.14 0.00 0.35 0.20 5.08 -0.90 -1.03 114.58 118.42 3hx7 h GLU 61 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hx7 h GLU 61 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hx7 h GLU 61 CO 0.01 0.13 -0.17 0.78 -1.00 0.00 0.00 179.01 178.76 3hx7 h GLY 62 N 0.43 -0.49 2.00 -3.84 0.00 -0.33 -1.70 103.07 99.14 3hx7 h GLY 62 Ca -0.00 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3hx7 h GLY 62 CO 0.02 -0.18 -0.26 0.10 0.00 0.00 0.00 176.54 176.22 3hx7 h TYR 63 N -0.77 0.00 -0.07 5.60 -0.00 -0.94 -1.73 116.97 119.06 3hx7 h TYR 63 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.52 3hx7 h TYR 63 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 3hx7 h TYR 63 CO 0.01 0.26 -0.68 0.93 -0.00 0.00 0.00 178.16 178.69 3hx7 h GLU 64 N 0.00 0.31 -0.33 0.10 5.08 -1.19 -0.51 114.58 118.05 3hx7 h GLU 64 Ca -0.00 -0.24 -0.18 0.00 -1.00 0.00 0.00 59.36 57.94 3hx7 h GLU 64 Cb 0.72 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3hx7 h GLU 64 CO 0.03 0.87 -0.48 -0.09 -1.00 0.00 0.00 179.01 178.34 3hx7 h ARG 65 N 0.22 0.89 -0.63 2.33 2.43 -0.85 -0.54 114.38 118.24 3hx7 h ARG 65 Ca -0.02 -0.53 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 3hx7 h ARG 65 Cb 1.22 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 3hx7 h ARG 65 CO 0.11 1.17 0.25 -0.07 -1.51 0.00 0.00 179.97 179.91 3hx7 h LEU 66 N 0.70 0.87 -0.79 3.80 3.38 -1.13 -0.12 115.31 122.01 3hx7 h LEU 66 Ca 0.03 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3hx7 h LEU 66 Cb 1.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3hx7 h LEU 66 CO 0.11 0.80 -0.49 -0.07 0.09 0.00 0.00 178.44 178.89 3hx7 h LEU 67 N 0.88 0.30 -0.27 1.67 3.38 -0.99 -0.96 115.31 119.32 3hx7 h LEU 67 Ca 0.21 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3hx7 h LEU 67 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hx7 h LEU 67 CO -0.02 0.75 -0.03 0.50 0.09 0.00 0.00 178.44 179.72 3hx7 h LYS 68 N 0.23 0.51 -0.57 1.13 1.63 -0.65 -2.81 116.57 116.03 3hx7 h LYS 68 Ca 0.01 -0.18 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 3hx7 h LYS 68 Cb 0.94 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 3hx7 h LYS 68 CO 0.08 0.69 0.01 1.98 -3.45 0.00 0.00 179.45 178.76 3hx7 h MET 69 N 0.27 0.98 -0.09 1.90 4.05 -0.92 -2.53 114.93 118.59 3hx7 h MET 69 Ca 0.07 -0.29 0.04 0.00 -0.28 0.00 0.00 59.70 59.24 3hx7 h MET 69 Cb 0.49 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 3hx7 h MET 69 CO 0.02 0.96 -0.25 0.37 0.23 0.00 0.00 176.91 178.24 3hx7 h GLN 70 N 0.90 -0.33 -0.03 0.39 5.75 -1.04 -1.05 115.11 119.71 3hx7 h GLN 70 Ca 0.17 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3hx7 h GLN 70 Cb 0.51 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 3hx7 h GLN 70 CO 0.03 -0.22 -0.19 -0.91 -2.65 0.00 0.00 178.83 174.89 3hx7 h ASN 71 N -0.34 0.05 -0.60 -0.69 4.21 -1.41 -0.98 115.58 115.82 3hx7 h ASN 71 Ca 0.09 -0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.50 3hx7 h ASN 71 Cb 0.47 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 3hx7 h ASN 71 CO -0.29 0.24 0.01 1.56 -1.29 0.00 0.00 177.43 177.66 3hx7 h GLN 72 N 0.05 1.05 0.00 0.81 4.20 -0.80 -2.86 115.11 117.56 3hx7 h GLN 72 Ca 0.01 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3hx7 h GLN 72 Cb 0.36 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3hx7 h GLN 72 CO 0.03 1.02 0.00 0.54 -0.67 0.00 0.00 178.83 179.75 3hx7 n ARG 73 N -4.21 0.25 0.00 1.46 5.12 -0.56 -4.91 116.66 113.82 3hx7 n ARG 73 Ca 0.03 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 3hx7 n ARG 73 Cb 0.34 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 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 1.18 0.98 3.88 -0.13 0.00 -0.99 -3.98 105.19 106.14 3hx7 n GLY 74 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.94 1.69 -0.10 -0.02 0.00 -0.41 -4.61 107.32 101.94 3hx7 s GLY 75 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.76 3hx7 s GLY 75 CO 0.00 -0.28 -0.12 0.50 0.00 0.00 0.00 173.10 173.19 3hx7 s ARG 76 N -5.71 1.88 0.04 2.90 1.81 -1.26 -4.39 118.95 114.21 3hx7 s ARG 76 Ca 0.70 -0.43 -0.30 0.00 -1.72 0.00 0.00 55.73 53.97 3hx7 s ARG 76 Cb -0.07 -1.66 -0.05 0.00 -0.45 0.00 0.00 34.95 32.71 3hx7 s ARG 76 CO 0.52 -0.09 1.22 0.00 -0.68 0.00 0.00 175.30 176.27 3hx7 s ALA 77 N 1.08 3.43 -0.14 2.13 0.00 -1.26 -4.98 121.76 122.03 3hx7 s ALA 77 Ca -0.06 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 3hx7 s ALA 77 Cb -0.14 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3hx7 s ALA 77 CO -0.02 -0.53 -0.06 -0.51 0.00 0.00 0.00 175.76 174.64 3hx7 s LEU 78 N 1.36 1.33 0.18 0.00 1.43 -1.26 -5.14 118.68 116.58 3hx7 s LEU 78 Ca 0.59 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3hx7 s LEU 78 Cb -0.29 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 3hx7 s LEU 78 CO 0.28 -0.16 0.42 -0.36 0.23 0.00 0.00 176.35 176.75 3hx7 s PHE 79 N 1.70 3.47 0.31 0.29 0.08 -1.26 -4.89 117.98 117.68 3hx7 s PHE 79 Ca 0.03 0.54 0.04 0.00 0.12 0.00 0.00 56.93 57.66 3hx7 s PHE 79 Cb -0.14 -2.00 -0.06 0.00 -0.57 0.00 0.00 43.02 40.25 3hx7 s PHE 79 CO -0.08 0.37 0.04 -0.65 -0.10 0.00 0.00 175.22 174.81 3hx7 s GLN 80 N -2.95 1.62 0.52 0.44 -1.52 -1.26 -5.12 119.66 111.38 3hx7 s GLN 80 Ca 0.41 -1.89 -0.22 0.00 -1.95 0.00 0.00 55.36 51.71 3hx7 s GLN 80 Cb -0.12 -0.87 -0.06 0.00 -0.22 0.00 0.00 33.01 31.74 3hx7 s GLN 80 CO 0.26 -0.16 1.25 -0.25 -0.25 0.00 0.00 175.29 176.14 3hx7 n ASP 81 N -0.66 2.24 -4.37 5.90 10.43 -1.26 -4.95 116.55 123.89 3hx7 n ASP 81 Ca -0.03 0.99 -0.45 0.00 2.57 0.00 0.00 54.79 57.87 3hx7 n ASP 81 Cb 0.66 -1.51 -0.06 0.00 1.84 0.00 0.00 41.12 42.04 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 -1.30 5.16 0.18 0.53 1.01 -1.26 -5.04 121.20 120.47 3hx7 s ILE 82 Ca 0.69 -1.13 -0.33 0.00 0.00 0.00 0.00 60.65 59.88 3hx7 s ILE 82 Cb -0.45 -4.24 -0.14 0.00 0.01 0.00 0.00 42.46 37.64 3hx7 s ILE 82 CO 0.52 -0.73 1.45 0.29 0.00 0.00 0.00 174.94 176.46 3hx7 n LYS 83 N 5.41 1.87 -0.92 2.79 5.02 -1.26 -4.94 118.16 126.13 3hx7 n LYS 83 Ca -0.12 0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 56.52 3hx7 n LYS 83 Cb 0.43 -2.36 0.14 0.00 -0.02 0.00 0.00 35.03 33.22 3hx7 n LYS 83 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3hx7 s LYS 84 N 0.29 1.41 0.59 1.97 -2.85 -1.26 -4.88 119.74 115.00 3hx7 s LYS 84 Ca 0.76 1.54 -0.20 0.00 -1.00 0.00 0.00 55.97 57.07 3hx7 s LYS 84 Cb -0.73 -1.77 -0.04 0.00 -2.06 0.00 0.00 37.83 33.23 3hx7 s LYS 84 CO 0.44 -2.34 1.20 -2.30 0.10 0.00 0.00 175.35 172.45 3hx7 n PRO 85 N -3.84 1.26 0.00 1.78 -0.02 -1.26 -4.87 135.00 128.05 3hx7 n PRO 85 Ca 0.12 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 3hx7 n PRO 85 Cb 0.52 -2.41 0.24 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.47 1.66 -2.80 3.55 0.00 -1.26 -4.76 120.51 115.43 3hx7 n ALA 86 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 3hx7 n ALA 86 Cb 0.46 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.42 1.02 -0.05 0.00 0.41 -1.26 -5.03 118.70 111.37 3hx7 s GLU 87 Ca 0.10 -0.90 0.09 0.00 -0.41 0.00 0.00 54.97 53.85 3hx7 s GLU 87 Cb 0.06 0.41 -0.14 0.00 -1.78 0.00 0.00 34.13 32.68 3hx7 s GLU 87 CO 0.13 -0.37 0.14 -0.25 -0.49 0.00 0.00 175.26 174.41 3hx7 n ASP 88 N -0.17 2.70 -3.95 -0.19 8.00 -1.26 -4.96 116.55 116.72 3hx7 n ASP 88 Ca -0.14 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.18 3hx7 n ASP 88 Cb 0.63 1.14 -0.15 0.00 -0.02 0.00 0.00 41.12 42.71 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 -2.49 0.72 -0.14 -1.24 2.02 -1.26 -5.00 118.70 111.30 3hx7 s GLU 89 Ca -0.04 -0.19 0.16 0.00 0.02 0.00 0.00 54.97 54.92 3hx7 s GLU 89 Cb 0.05 -0.71 0.61 0.00 0.10 0.00 0.00 34.13 34.19 3hx7 s GLU 89 CO 0.40 0.05 1.53 0.91 0.02 0.00 0.00 175.26 178.16 3hx7 n TRP 90 N 3.44 1.26 -0.77 1.61 7.02 -1.26 -5.07 117.44 123.67 3hx7 n TRP 90 Ca -0.19 -0.71 0.00 0.00 -1.02 0.00 0.00 57.50 55.58 3hx7 n TRP 90 Cb 0.54 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 0.37 3.33 3.97 6.99 0.00 -1.26 -3.59 105.19 115.01 3hx7 n GLY 91 Ca 0.22 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3hx7 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx7 s LYS 92 N 0.00 2.97 0.21 1.61 1.02 -1.26 -4.92 119.74 119.37 3hx7 s LYS 92 Ca 0.00 -0.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.08 3hx7 s LYS 92 Cb 0.00 -2.65 0.23 0.00 -0.52 0.00 0.00 37.83 34.89 3hx7 s LYS 92 CO 0.00 -0.24 1.62 1.15 -0.92 0.00 0.00 175.35 176.97 3hx7 h THR 93 N 0.53 0.35 -0.57 2.17 2.02 -2.00 -0.92 112.91 114.50 3hx7 h THR 93 Ca -0.45 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.82 3hx7 h THR 93 Cb 1.26 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 3hx7 h THR 93 CO 0.54 0.00 0.19 -0.65 0.37 0.00 0.00 175.52 175.97 3hx7 h PRO 94 N -0.01 0.35 -0.18 6.66 0.11 -1.95 0.15 132.00 137.13 3hx7 h PRO 94 Ca 0.30 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.42 3hx7 h PRO 94 Cb 0.47 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3hx7 h PRO 94 CO -0.66 0.23 0.03 -0.44 -0.21 0.00 0.00 178.00 176.95 3hx7 h ASP 95 N 0.36 -0.01 -0.56 -2.05 5.19 -1.48 0.28 116.42 118.15 3hx7 h ASP 95 Ca 0.29 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.71 3hx7 h ASP 95 Cb 0.35 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 3hx7 h ASP 95 CO -0.30 0.02 0.29 0.00 -3.12 0.00 0.00 179.24 176.12 3hx7 h ALA 96 N 1.14 0.72 0.00 3.45 0.00 -0.85 -1.37 119.26 122.34 3hx7 h ALA 96 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hx7 h ALA 96 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hx7 h ALA 96 CO -0.12 0.26 -0.00 1.98 0.00 0.00 0.00 179.25 181.37 3hx7 h MET 97 N 0.75 -0.00 -0.90 0.00 -1.53 -0.04 -0.32 114.93 112.90 3hx7 h MET 97 Ca 0.19 0.00 0.11 0.00 -3.44 0.00 0.00 59.70 56.57 3hx7 h MET 97 Cb 0.08 0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 31.06 3hx7 h MET 97 CO -0.03 0.06 0.58 0.87 0.14 0.00 0.00 176.91 178.53 3hx7 h LYS 98 N -0.06 0.80 0.35 0.39 1.57 -0.25 0.79 116.57 120.15 3hx7 h LYS 98 Ca -0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3hx7 h LYS 98 Cb 0.06 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3hx7 h LYS 98 CO 0.00 0.53 -0.17 0.00 -0.57 0.00 0.00 179.45 179.24 3hx7 h ALA 99 N 1.57 -0.46 -0.88 3.86 0.00 -0.55 -1.19 119.26 121.61 3hx7 h ALA 99 Ca 0.43 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3hx7 h ALA 99 Cb 0.52 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3hx7 h ALA 99 CO -0.19 -0.70 0.58 0.00 0.00 0.00 0.00 179.25 178.94 3hx7 h ALA 100 N 0.02 1.48 -0.09 0.00 0.00 -0.18 0.22 119.26 120.70 3hx7 h ALA 100 Ca -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hx7 h ALA 100 Cb 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hx7 h ALA 100 CO 0.08 0.41 -0.03 1.98 0.00 0.00 0.00 179.25 181.69 3hx7 h MET 101 N 1.06 -0.01 -0.27 0.00 -1.53 -0.61 -0.21 114.93 113.35 3hx7 h MET 101 Ca 0.36 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.65 3hx7 h MET 101 Cb 0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.13 3hx7 h MET 101 CO -0.12 -0.01 0.12 0.00 0.14 0.00 0.00 176.91 177.05 3hx7 h ALA 102 N 1.08 0.32 -0.81 0.39 0.00 -0.16 0.20 119.26 120.28 3hx7 h ALA 102 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3hx7 h ALA 102 Cb 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3hx7 h ALA 102 CO -0.10 -0.28 0.53 1.25 0.00 0.00 0.00 179.25 180.65 3hx7 h LEU 103 N 0.26 0.69 -0.06 0.00 5.85 -0.60 -1.04 115.31 120.41 3hx7 h LEU 103 Ca 0.11 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3hx7 h LEU 103 Cb 0.05 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.95 3hx7 h LEU 103 CO -0.09 0.42 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.74 3hx7 h GLU 104 N 0.77 0.36 -0.05 1.25 4.39 -0.17 -1.96 114.58 119.17 3hx7 h GLU 104 Ca 0.37 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.78 3hx7 h GLU 104 Cb 0.41 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3hx7 h GLU 104 CO -0.14 0.95 0.03 0.87 -1.16 0.00 0.00 179.01 179.56 3hx7 h LYS 105 N -0.14 0.02 -0.09 2.33 1.57 -0.47 0.27 116.57 120.07 3hx7 h LYS 105 Ca -0.03 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3hx7 h LYS 105 Cb 1.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3hx7 h LYS 105 CO 0.07 0.02 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.66 3hx7 h LYS 106 N 0.02 0.21 -0.73 3.15 3.64 -1.12 -1.42 116.57 120.32 3hx7 h LYS 106 Ca 0.02 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3hx7 h LYS 106 Cb 0.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3hx7 h LYS 106 CO -0.00 0.65 0.36 -0.07 -2.27 0.00 0.00 179.45 178.12 3hx7 h LEU 107 N -0.21 0.95 -0.24 5.20 3.38 -0.51 -1.10 115.31 122.78 3hx7 h LEU 107 Ca 0.01 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3hx7 h LEU 107 Cb 0.61 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3hx7 h LEU 107 CO 0.02 0.81 0.01 -1.13 0.09 0.00 0.00 178.44 178.24 3hx7 h ASN 108 N 1.02 -0.07 -0.68 -0.43 -1.24 -0.44 0.50 115.58 114.25 3hx7 h ASN 108 Ca 0.25 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.31 3hx7 h ASN 108 Cb 0.10 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 3hx7 h ASN 108 CO -0.03 -0.00 0.41 -0.61 -1.29 0.00 0.00 177.43 175.90 3hx7 h GLN 109 N 0.09 0.93 -0.56 6.67 5.75 -0.95 0.59 115.11 127.62 3hx7 h GLN 109 Ca 0.11 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3hx7 h GLN 109 Cb 0.13 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3hx7 h GLN 109 CO -0.18 0.66 0.07 0.00 -2.65 0.00 0.00 178.83 176.73 3hx7 h ALA 110 N 1.50 0.75 -0.32 3.38 0.00 0.01 -0.88 119.26 123.70 3hx7 h ALA 110 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hx7 h ALA 110 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hx7 h ALA 110 CO -0.05 0.52 0.02 -0.07 0.00 0.00 0.00 179.25 179.67 3hx7 h LEU 111 N 0.84 0.54 -1.15 0.00 3.38 -0.22 -1.20 115.31 117.49 3hx7 h LEU 111 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hx7 h LEU 111 Cb 0.44 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3hx7 h LEU 111 CO 0.01 0.70 0.57 -0.07 0.09 0.00 0.00 178.44 179.74 3hx7 h LEU 112 N 0.36 0.99 -0.33 1.67 3.38 -0.72 -0.65 115.31 120.00 3hx7 h LEU 112 Ca 0.09 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3hx7 h LEU 112 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hx7 h LEU 112 CO 0.01 0.71 -0.05 0.44 0.09 0.00 0.00 178.44 179.64 3hx7 h ASP 113 N 1.17 0.62 0.11 -0.43 3.45 -0.96 -1.92 116.42 118.47 3hx7 h ASP 113 Ca 0.32 -0.35 -0.04 0.00 0.43 0.00 0.00 57.03 57.39 3hx7 h ASP 113 Cb -0.13 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.47 3hx7 h ASP 113 CO -0.07 0.82 -0.14 0.25 -1.57 0.00 0.00 179.24 178.53 3hx7 h LEU 114 N 0.41 0.07 -0.03 1.55 5.85 -0.62 -1.03 115.31 121.50 3hx7 h LEU 114 Ca 0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3hx7 h LEU 114 Cb 0.53 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hx7 h LEU 114 CO 0.03 0.22 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.57 3hx7 h HIS 115 N 0.07 0.10 -0.48 1.25 2.76 -0.81 -0.95 115.15 117.09 3hx7 h HIS 115 Ca 0.01 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 3hx7 h HIS 115 Cb 0.30 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 3hx7 h HIS 115 CO 0.00 0.58 0.25 0.00 -1.30 0.00 0.00 177.93 177.46 3hx7 h ALA 116 N 0.50 1.55 -0.49 5.26 0.00 -1.10 0.30 119.26 125.27 3hx7 h ALA 116 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3hx7 h ALA 116 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hx7 h ALA 116 CO 0.01 0.38 -0.09 1.25 0.00 0.00 0.00 179.25 180.80 3hx7 h LEU 117 N 0.66 0.86 -0.81 0.00 5.85 -1.11 -1.67 115.31 119.10 3hx7 h LEU 117 Ca 0.17 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 3hx7 h LEU 117 Cb 0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3hx7 h LEU 117 CO -0.03 0.98 -0.30 1.23 -0.34 0.00 0.00 178.44 179.98 3hx7 h GLY 118 N 0.97 0.59 0.94 3.75 0.00 0.32 -2.25 103.07 107.39 3hx7 h GLY 118 Ca 0.13 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3hx7 h GLY 118 CO 0.04 0.48 0.00 1.76 0.00 0.00 0.00 176.54 178.82 3hx7 h SER 119 N 0.47 0.67 -0.70 0.19 0.02 -0.59 0.91 113.55 114.52 3hx7 h SER 119 Ca 0.06 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3hx7 h SER 119 Cb 0.76 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 3hx7 h SER 119 CO 0.06 0.82 0.26 0.00 -1.14 0.00 0.00 176.83 176.83 3hx7 h ALA 120 N 0.88 1.10 -0.16 3.77 0.00 -1.22 -1.60 119.26 122.05 3hx7 h ALA 120 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hx7 h ALA 120 Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hx7 h ALA 120 CO 0.02 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.44 3hx7 n ARG 121 N -4.28 1.47 -3.81 0.00 5.12 -0.86 -4.93 116.66 109.38 3hx7 n ARG 121 Ca 0.06 -0.72 -0.25 0.00 -1.93 0.00 0.00 57.85 55.02 3hx7 n ARG 121 Cb 0.20 -1.26 0.01 0.00 -1.16 0.00 0.00 32.46 30.25 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 0.00 -4.13 -3.65 0.55 -2.24 -0.60 -4.93 114.28 99.28 3hx7 n THR 122 Ca 0.11 -0.60 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 3hx7 n THR 122 Cb 0.20 -3.39 -0.08 0.00 -2.10 0.00 0.00 70.33 64.96 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 -4.20 5.52 0.35 3.42 -1.08 0.22 -4.94 116.67 115.96 3hx7 s ASP 123 Ca 0.09 -2.76 0.08 0.00 -0.52 0.00 0.00 52.55 49.44 3hx7 s ASP 123 Cb -0.03 -1.92 0.65 0.00 -1.46 0.00 0.00 42.92 40.15 3hx7 s ASP 123 CO 0.86 -0.42 1.82 1.55 0.52 0.00 0.00 175.17 179.50 3hx7 h PRO 124 N 7.25 0.23 -0.17 4.34 0.13 -1.93 -2.72 132.00 139.12 3hx7 h PRO 124 Ca -0.01 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 3hx7 h PRO 124 Cb 0.97 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3hx7 h PRO 124 CO 0.73 0.47 0.04 1.25 -0.23 0.00 0.00 178.00 180.26 3hx7 h HIS 125 N 0.21 0.30 -0.34 1.56 2.76 -1.97 -0.41 115.15 117.25 3hx7 h HIS 125 Ca 0.03 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3hx7 h HIS 125 Cb 0.56 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 3hx7 h HIS 125 CO 0.01 0.42 0.14 1.25 -1.30 0.00 0.00 177.93 178.45 3hx7 h LEU 126 N 0.08 0.17 -0.73 0.26 5.85 -1.95 0.15 115.31 119.15 3hx7 h LEU 126 Ca 0.05 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3hx7 h LEU 126 Cb 0.28 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3hx7 h LEU 126 CO 0.00 0.14 0.46 0.00 -0.34 0.00 0.00 178.44 178.70 3hx7 h ASP 128 N 0.89 0.20 -0.71 0.00 3.58 -0.64 -2.49 116.42 117.25 3hx7 h ASP 128 Ca 0.30 -0.34 0.15 0.00 0.42 0.00 0.00 57.03 57.56 3hx7 h ASP 128 Cb 0.04 -0.06 -0.11 0.00 1.72 0.00 0.00 39.33 40.93 3hx7 h ASP 128 CO -0.12 0.49 0.16 0.15 -2.88 0.00 0.00 179.24 177.05 3hx7 h PHE 129 N -0.09 0.25 -0.35 0.28 3.04 -0.43 -0.46 116.94 119.19 3hx7 h PHE 129 Ca 0.03 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 61.90 3hx7 h PHE 129 Cb 0.39 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 3hx7 h PHE 129 CO 0.04 -0.08 -0.27 -0.07 -2.02 0.00 0.00 178.31 175.91 3hx7 h LEU 130 N 0.26 0.84 -0.53 0.59 3.38 -1.31 -2.34 115.31 116.19 3hx7 h LEU 130 Ca 0.39 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3hx7 h LEU 130 Cb 0.66 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3hx7 h LEU 130 CO -0.49 1.11 0.17 -0.33 0.09 0.00 0.00 178.44 178.99 3hx7 h GLU 131 N 0.58 0.83 0.04 1.13 5.08 -0.89 0.80 114.58 122.14 3hx7 h GLU 131 Ca 0.06 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hx7 h GLU 131 Cb 0.84 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3hx7 h GLU 131 CO 0.07 0.75 -0.02 1.15 -1.00 0.00 0.00 179.01 179.96 3hx7 h THR 132 N 0.73 1.24 0.00 1.13 2.02 -1.14 -3.38 112.91 113.52 3hx7 h THR 132 Ca 0.17 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3hx7 h THR 132 Cb 0.27 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3hx7 h THR 132 CO -0.01 0.24 -1.49 1.41 0.37 0.00 0.00 175.52 176.04 3hx7 n HIS 133 N -4.92 0.00 0.02 3.16 8.25 -0.88 -4.88 115.22 115.97 3hx7 n HIS 133 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3hx7 n HIS 133 Cb 0.22 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.07 3hx7 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx7 n PHE 134 N -1.88 -0.06 -0.35 4.41 3.72 0.13 -4.71 117.46 118.72 3hx7 n PHE 134 Ca -0.01 0.01 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hx7 n PHE 134 Cb 0.42 0.03 0.29 0.00 -0.94 0.00 0.00 39.48 39.28 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 0.78 0.11 4.37 3.38 -1.34 -1.74 115.31 120.86 3hx7 h LEU 135 Ca 0.00 0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.77 3hx7 h LEU 135 Cb 0.55 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.27 3hx7 h LEU 135 CO 0.00 0.31 -1.25 -0.78 0.09 0.00 0.00 178.44 176.80 3hx7 h ASP 136 N 0.79 0.67 -0.37 -0.43 -0.00 -1.84 -2.96 116.42 112.28 3hx7 h ASP 136 Ca 0.55 -0.66 -0.01 0.00 -0.00 0.00 0.00 57.03 56.90 3hx7 h ASP 136 Cb 0.78 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 3hx7 h ASP 136 CO -0.36 1.49 0.20 -0.33 -0.00 0.00 0.00 179.24 180.24 3hx7 h GLU 137 N 0.17 0.56 0.17 0.28 4.39 -1.76 -0.67 114.58 117.73 3hx7 h GLU 137 Ca -0.17 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3hx7 h GLU 137 Cb 1.94 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 3hx7 h GLU 137 CO 0.23 0.44 -0.08 0.93 -1.16 0.00 0.00 179.01 179.36 3hx7 h GLU 138 N 0.57 -0.22 -1.00 2.33 4.39 -1.35 -1.56 114.58 117.73 3hx7 h GLU 138 Ca 0.14 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.94 3hx7 h GLU 138 Cb 0.06 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.69 3hx7 h GLU 138 CO -0.02 0.11 0.64 0.28 -1.16 0.00 0.00 179.01 178.86 3hx7 h VAL 139 N -0.59 1.05 -0.13 3.13 2.07 -1.30 0.18 116.25 120.67 3hx7 h VAL 139 Ca -0.02 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3hx7 h VAL 139 Cb 0.44 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3hx7 h VAL 139 CO 0.04 0.21 0.02 0.11 0.02 0.00 0.00 177.57 177.96 3hx7 h LYS 140 N 1.14 0.21 -0.63 1.57 1.57 -1.13 -2.41 116.57 116.88 3hx7 h LYS 140 Ca 0.44 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.12 3hx7 h LYS 140 Cb 0.23 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3hx7 h LYS 140 CO -0.19 0.41 0.22 1.25 -0.57 0.00 0.00 179.45 180.57 3hx7 h LEU 141 N -0.02 0.90 -0.76 2.94 5.85 -0.62 -1.32 115.31 122.28 3hx7 h LEU 141 Ca 0.04 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3hx7 h LEU 141 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3hx7 h LEU 141 CO 0.00 0.86 0.26 0.40 -0.34 0.00 0.00 178.44 179.62 3hx7 h ILE 142 N 0.90 1.26 -0.66 4.05 2.04 -0.67 -1.57 117.51 122.86 3hx7 h ILE 142 Ca 0.21 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 3hx7 h ILE 142 Cb 0.26 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3hx7 h ILE 142 CO -0.01 0.35 0.16 0.50 0.00 0.00 0.00 178.15 179.15 3hx7 h LYS 143 N 1.12 1.06 -0.90 2.37 1.63 -1.21 -0.87 116.57 119.76 3hx7 h LYS 143 Ca 0.25 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3hx7 h LYS 143 Cb 0.28 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 3hx7 h LYS 143 CO -0.01 0.95 0.60 -0.22 -3.45 0.00 0.00 179.45 177.31 3hx7 h LYS 144 N 0.99 1.18 -0.33 1.90 3.64 -0.85 0.04 116.57 123.14 3hx7 h LYS 144 Ca 0.21 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.37 3hx7 h LYS 144 Cb 0.36 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3hx7 h LYS 144 CO 0.00 0.78 -0.37 0.52 -2.27 0.00 0.00 179.45 178.11 3hx7 h MET 145 N 1.22 0.83 -0.35 1.90 2.86 -0.84 -1.24 114.93 119.31 3hx7 h MET 145 Ca 0.33 -0.46 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3hx7 h MET 145 Cb -0.14 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3hx7 h MET 145 CO -0.07 1.09 0.06 0.78 1.06 0.00 0.00 176.91 179.83 3hx7 h GLY 146 N 0.61 0.56 0.82 8.32 0.00 -0.83 0.44 103.07 112.99 3hx7 h GLY 146 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3hx7 h GLY 146 CO 0.09 0.28 0.02 -0.55 0.00 0.00 0.00 176.54 176.38 3hx7 h ASP 147 N 0.51 0.08 -0.49 0.19 5.19 -0.67 -1.42 116.42 119.80 3hx7 h ASP 147 Ca 0.12 -0.20 0.02 0.00 -0.62 0.00 0.00 57.03 56.34 3hx7 h ASP 147 Cb 0.24 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 3hx7 h ASP 147 CO 0.00 0.26 0.30 0.45 -3.12 0.00 0.00 179.24 177.13 3hx7 h HIS 148 N -0.11 0.57 -0.10 4.55 3.86 -0.48 -1.29 115.15 122.15 3hx7 h HIS 148 Ca 0.02 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 3hx7 h HIS 148 Cb 0.21 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 3hx7 h HIS 148 CO -0.01 0.34 -0.16 -0.07 0.86 0.00 0.00 177.93 178.89 3hx7 h LEU 149 N 0.61 -0.49 -1.31 2.43 3.38 0.04 0.14 115.31 120.10 3hx7 h LEU 149 Ca 0.19 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.26 3hx7 h LEU 149 Cb -0.01 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3hx7 h LEU 149 CO -0.07 -0.21 0.47 0.74 0.09 0.00 0.00 178.44 179.45 3hx7 h THR 150 N -0.22 1.17 0.01 0.22 2.02 -0.90 0.11 112.91 115.32 3hx7 h THR 150 Ca 0.08 -0.32 -0.19 0.00 0.77 0.00 0.00 66.41 66.75 3hx7 h THR 150 Cb 0.34 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3hx7 h THR 150 CO -0.23 0.17 -0.87 0.78 0.37 0.00 0.00 175.52 175.74 3hx7 h ASN 151 N 0.95 0.16 -0.13 4.18 2.35 -0.79 -2.04 115.58 120.26 3hx7 h ASN 151 Ca 0.26 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3hx7 h ASN 151 Cb -0.09 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3hx7 h ASN 151 CO -0.06 0.95 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.48 3hx7 h LEU 152 N 0.07 0.34 -1.68 1.61 3.38 0.09 -2.77 115.31 116.34 3hx7 h LEU 152 Ca -0.03 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.48 3hx7 h LEU 152 Cb 1.51 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 3hx7 h LEU 152 CO 0.13 0.74 0.23 -0.74 0.09 0.00 0.00 178.44 178.89 3hx7 h HIS 153 N -0.06 0.40 -0.58 1.13 2.76 -0.86 -2.12 115.15 115.82 3hx7 h HIS 153 Ca 0.02 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 3hx7 h HIS 153 Cb 0.64 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 3hx7 h HIS 153 CO 0.08 0.25 0.04 -0.09 -1.30 0.00 0.00 177.93 176.91 3hx7 h ARG 154 N 0.43 0.96 -2.36 5.26 2.43 -1.17 -3.31 114.38 116.62 3hx7 h ARG 154 Ca 0.13 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 3hx7 h ARG 154 Cb 0.01 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3hx7 h ARG 154 CO -0.03 0.92 -0.05 1.28 -1.51 0.00 0.00 179.97 180.58 3hx7 n LEU 155 N -4.21 3.25 0.00 3.80 4.77 -0.80 -3.96 117.00 119.85 3hx7 n LEU 155 Ca 0.03 -2.13 -0.00 0.00 -0.03 0.00 0.00 56.01 53.88 3hx7 n LEU 155 Cb 0.30 -0.87 -0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3hx7 n LEU 155 CO 0.43 0.85 -0.01 0.61 -1.33 0.00 0.00 177.39 177.93 3hx7 n GLY 156 N 2.65 -0.06 0.00 -0.72 0.00 -1.25 -5.08 105.19 100.73 3hx7 n GLY 156 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 2.96 0.51 0.00 -0.02 0.00 -1.25 -5.23 105.19 102.16 3hx7 n GLY 157 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3hx7 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77