#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx7 s SER 3 N 0.00 5.53 0.48 -3.46 0.15 -1.26 -4.96 113.70 110.18 3hx7 s SER 3 Ca 0.00 2.16 0.30 0.00 0.70 0.00 0.00 55.95 59.10 3hx7 s SER 3 Cb 0.00 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.81 3hx7 s SER 3 CO 0.00 -1.35 1.86 0.06 1.20 0.00 0.00 173.24 175.02 3hx7 h GLN 4 N 0.91 0.00 0.00 5.44 3.07 -1.98 -3.13 115.11 119.42 3hx7 h GLN 4 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 3hx7 h GLN 4 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 3hx7 h GLN 4 CO 0.56 0.00 -1.49 0.44 0.09 0.00 0.00 178.83 178.43 3hx7 n ILE 5 N -2.97 0.00 -1.61 1.86 -5.35 -1.26 -5.01 119.36 105.03 3hx7 n ILE 5 Ca 0.02 -0.26 -0.51 0.00 -0.27 0.00 0.00 62.75 61.72 3hx7 n ILE 5 Cb 0.35 0.48 -0.06 0.00 -1.74 0.00 0.00 39.64 38.68 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 -1.88 1.32 -3.56 6.28 0.63 -1.18 -4.90 116.66 113.36 3hx7 n ARG 6 Ca -0.00 0.48 -0.01 0.00 -0.92 0.00 0.00 57.85 57.40 3hx7 n ARG 6 Cb 0.44 -2.14 -0.04 0.00 0.45 0.00 0.00 32.46 31.16 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 0.70 0.55 -1.45 -0.14 0.74 -1.26 -4.96 119.66 113.84 3hx7 s GLN 7 Ca 0.84 1.34 -0.10 0.00 0.05 0.00 0.00 55.36 57.49 3hx7 s GLN 7 Cb -0.91 0.76 0.04 0.00 1.10 0.00 0.00 33.01 34.00 3hx7 s GLN 7 CO 0.46 -0.28 0.96 -1.71 -0.55 0.00 0.00 175.29 174.17 3hx7 n ASN 8 N 5.44 -5.72 -3.90 6.67 5.15 -1.26 -4.98 115.26 116.66 3hx7 n ASN 8 Ca -0.10 -0.54 -0.30 0.00 -0.60 0.00 0.00 54.58 53.03 3hx7 n ASN 8 Cb 0.49 -4.56 -0.15 0.00 -0.53 0.00 0.00 39.78 35.04 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 -3.26 2.70 0.57 1.20 5.04 -1.26 -4.81 117.35 117.52 3hx7 s TYR 9 Ca 0.54 -2.24 -0.17 0.00 -2.44 0.00 0.00 57.07 52.75 3hx7 s TYR 9 Cb -0.25 -2.16 -0.05 0.00 0.35 0.00 0.00 41.96 39.85 3hx7 s TYR 9 CO 0.67 -0.88 1.07 -1.54 -1.34 0.00 0.00 175.55 173.52 3hx7 s SER 10 N 1.28 5.85 0.50 4.32 1.04 -1.26 -4.92 113.70 120.50 3hx7 s SER 10 Ca 0.06 1.91 0.27 0.00 0.48 0.00 0.00 55.95 58.67 3hx7 s SER 10 Cb -0.18 -2.55 1.29 0.00 0.10 0.00 0.00 66.02 64.68 3hx7 s SER 10 CO -0.14 -1.12 1.99 0.71 0.98 0.00 0.00 173.24 175.66 3hx7 h THR 11 N 0.77 0.51 -0.52 2.02 1.35 -1.99 -1.22 112.91 113.83 3hx7 h THR 11 Ca -0.48 -0.73 -0.11 0.00 -0.55 0.00 0.00 66.41 64.54 3hx7 h THR 11 Cb 1.23 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 3hx7 h THR 11 CO 0.57 0.14 -0.11 0.44 -0.25 0.00 0.00 175.52 176.32 3hx7 h ASP 12 N 0.00 0.99 -0.10 5.36 3.32 -1.99 -1.68 116.42 122.32 3hx7 h ASP 12 Ca -0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 3hx7 h ASP 12 Cb 0.48 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3hx7 h ASP 12 CO 0.02 1.12 -0.19 0.58 -1.72 0.00 0.00 179.24 179.05 3hx7 h VAL 13 N 0.86 1.39 -0.57 -1.35 2.07 -1.82 -2.32 116.25 114.51 3hx7 h VAL 13 Ca 0.13 -1.47 0.11 0.00 0.82 0.00 0.00 66.70 66.30 3hx7 h VAL 13 Cb 0.67 2.12 -0.11 0.00 -1.52 0.00 0.00 31.29 32.45 3hx7 h VAL 13 CO 0.05 0.42 -0.16 -0.08 0.02 0.00 0.00 177.57 177.82 3hx7 h GLU 14 N -0.15 -0.02 -0.00 1.57 4.81 -1.11 0.07 114.58 119.75 3hx7 h GLU 14 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3hx7 h GLU 14 Cb 0.77 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3hx7 h GLU 14 CO 0.04 -0.01 -0.68 0.00 -0.73 0.00 0.00 179.01 177.63 3hx7 h ALA 15 N 1.51 0.87 -0.51 2.92 0.00 -1.37 -2.92 119.26 119.77 3hx7 h ALA 15 Ca 0.27 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3hx7 h ALA 15 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hx7 h ALA 15 CO -0.60 0.84 0.02 0.00 0.00 0.00 0.00 179.25 179.52 3hx7 h ALA 16 N 1.31 1.09 -0.17 0.00 0.00 -0.47 -1.35 119.26 119.67 3hx7 h ALA 16 Ca -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3hx7 h ALA 16 Cb 1.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hx7 h ALA 16 CO 0.09 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 180.13 3hx7 h VAL 17 N 0.78 1.30 -0.25 0.00 2.07 -1.04 -0.57 116.25 118.55 3hx7 h VAL 17 Ca 0.15 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3hx7 h VAL 17 Cb 0.44 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3hx7 h VAL 17 CO 0.02 0.32 0.17 0.78 0.02 0.00 0.00 177.57 178.89 3hx7 h ASN 18 N 0.04 0.08 -0.08 0.57 2.35 -1.31 0.11 115.58 117.34 3hx7 h ASN 18 Ca 0.04 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 3hx7 h ASN 18 Cb 0.53 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3hx7 h ASN 18 CO 0.02 0.05 -0.36 -1.28 -1.65 0.00 0.00 177.43 174.22 3hx7 h SER 19 N 0.09 0.46 -0.22 5.81 0.87 -0.95 -3.00 113.55 116.61 3hx7 h SER 19 Ca 0.11 -0.64 -0.04 0.00 -1.23 0.00 0.00 61.79 60.00 3hx7 h SER 19 Cb 0.35 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3hx7 h SER 19 CO -0.01 1.02 0.03 0.25 -0.53 0.00 0.00 176.83 177.59 3hx7 h LEU 20 N -0.07 0.43 -0.57 2.23 5.85 0.57 -2.23 115.31 121.52 3hx7 h LEU 20 Ca -0.02 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3hx7 h LEU 20 Cb 1.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3hx7 h LEU 20 CO 0.07 0.48 0.27 0.58 -0.34 0.00 0.00 178.44 179.50 3hx7 h VAL 21 N 0.46 1.20 -0.86 1.05 2.07 -0.86 -0.59 116.25 118.73 3hx7 h VAL 21 Ca 0.10 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3hx7 h VAL 21 Cb 0.25 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3hx7 h VAL 21 CO 0.00 0.23 0.43 -1.13 0.02 0.00 0.00 177.57 177.13 3hx7 h ASN 22 N 0.77 1.10 -0.45 0.57 -0.73 -1.28 0.11 115.58 115.68 3hx7 h ASN 22 Ca 0.19 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 3hx7 h ASN 22 Cb 0.12 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 3hx7 h ASN 22 CO -0.02 0.92 0.18 0.25 -0.37 0.00 0.00 177.43 178.38 3hx7 h LEU 23 N 1.21 0.62 -0.53 0.34 5.85 -0.83 0.61 115.31 122.57 3hx7 h LEU 23 Ca 0.30 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3hx7 h LEU 23 Cb 0.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hx7 h LEU 23 CO -0.04 0.62 -0.17 1.88 -0.34 0.00 0.00 178.44 180.38 3hx7 h TYR 24 N 0.58 1.14 -0.98 1.25 -1.99 -0.80 0.28 116.97 116.44 3hx7 h TYR 24 Ca 0.15 -0.26 0.04 0.00 2.00 0.00 0.00 58.73 60.66 3hx7 h TYR 24 Cb 0.19 -0.27 -0.06 0.00 2.00 0.00 0.00 36.73 38.59 3hx7 h TYR 24 CO 0.00 1.08 0.64 -0.07 -0.00 0.00 0.00 178.16 179.82 3hx7 h LEU 25 N 0.88 1.07 -0.22 3.88 3.38 -0.46 0.29 115.31 124.12 3hx7 h LEU 25 Ca 0.12 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3hx7 h LEU 25 Cb 0.75 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hx7 h LEU 25 CO 0.06 0.73 -0.28 -0.61 0.09 0.00 0.00 178.44 178.43 3hx7 h GLN 26 N 1.24 0.57 -0.85 1.13 4.15 -0.43 -1.99 115.11 118.93 3hx7 h GLN 26 Ca 0.39 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3hx7 h GLN 26 Cb 0.02 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3hx7 h GLN 26 CO -0.13 0.92 0.44 0.00 -1.93 0.00 0.00 178.83 178.13 3hx7 h ALA 27 N 0.64 1.09 -0.63 3.38 0.00 0.20 -1.26 119.26 122.68 3hx7 h ALA 27 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hx7 h ALA 27 Cb 0.85 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hx7 h ALA 27 CO 0.07 0.62 0.37 1.03 0.00 0.00 0.00 179.25 181.34 3hx7 h SER 28 N 1.19 0.76 -0.74 0.00 0.87 -0.36 -1.82 113.55 113.45 3hx7 h SER 28 Ca 0.29 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3hx7 h SER 28 Cb 0.07 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3hx7 h SER 28 CO -0.04 0.60 0.36 0.22 -0.53 0.00 0.00 176.83 177.44 3hx7 h TYR 29 N 0.85 1.06 -0.77 2.24 5.03 -0.87 -2.16 116.97 122.35 3hx7 h TYR 29 Ca 0.22 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.50 3hx7 h TYR 29 Cb -0.01 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 37.90 3hx7 h TYR 29 CO -0.02 0.78 0.50 1.15 -1.32 0.00 0.00 178.16 179.25 3hx7 h THR 30 N 1.04 1.15 0.00 1.81 2.02 -0.61 -2.17 112.91 116.15 3hx7 h THR 30 Ca 0.25 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 3hx7 h THR 30 Cb 0.12 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3hx7 h THR 30 CO -0.03 0.18 -0.48 1.88 0.37 0.00 0.00 175.52 177.44 3hx7 h TYR 31 N 0.99 0.00 -0.40 3.16 0.05 -1.00 -1.23 116.97 118.54 3hx7 h TYR 31 Ca 0.29 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.00 3hx7 h TYR 31 Cb -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3hx7 h TYR 31 CO -0.03 0.48 -0.03 1.25 -1.05 0.00 0.00 178.16 178.79 3hx7 h LEU 32 N 0.00 0.72 -0.15 3.88 5.85 -0.83 0.34 115.31 125.12 3hx7 h LEU 32 Ca -0.00 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3hx7 h LEU 32 Cb 0.89 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3hx7 h LEU 32 CO 0.06 0.88 0.06 -1.28 -0.34 0.00 0.00 178.44 177.82 3hx7 h SER 33 N 0.55 0.21 -0.37 1.25 0.87 -1.18 -2.00 113.55 112.88 3hx7 h SER 33 Ca 0.11 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3hx7 h SER 33 Cb 0.52 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 3hx7 h SER 33 CO 0.03 0.30 0.17 -0.07 -0.53 0.00 0.00 176.83 176.72 3hx7 h LEU 34 N 0.10 0.23 -0.10 2.23 3.38 -1.04 -1.05 115.31 119.06 3hx7 h LEU 34 Ca 0.05 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hx7 h LEU 34 Cb 0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3hx7 h LEU 34 CO -0.00 0.17 -0.12 1.23 0.09 0.00 0.00 178.44 179.81 3hx7 h GLY 35 N 0.35 -0.05 2.00 0.83 0.00 -0.11 -2.34 103.07 103.75 3hx7 h GLY 35 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3hx7 h GLY 35 CO -0.13 -0.12 0.00 0.74 0.00 0.00 0.00 176.54 177.03 3hx7 h PHE 36 N -0.15 0.00 -0.04 5.60 -1.00 -1.23 -3.15 116.94 116.97 3hx7 h PHE 36 Ca 0.08 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 3hx7 h PHE 36 Cb 0.26 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 3hx7 h PHE 36 CO -0.22 0.00 0.00 -0.92 -1.61 0.00 0.00 178.31 175.56 3hx7 h TYR 37 N 0.00 0.07 0.00 -0.55 3.20 -0.64 -2.78 116.97 116.27 3hx7 h TYR 37 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hx7 h TYR 37 Cb 0.64 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3hx7 h TYR 37 CO 0.00 0.35 0.00 1.19 -1.64 0.00 0.00 178.16 178.06 3hx7 n PHE 38 N -4.90 0.00 0.26 -3.82 3.72 -1.09 -2.14 117.46 109.49 3hx7 n PHE 38 Ca -0.07 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.44 3hx7 n PHE 38 Cb 0.18 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.20 0.66 -4.58 4.37 4.64 -1.06 -1.26 116.55 118.13 3hx7 n ASP 39 Ca 0.11 0.13 -0.40 0.00 -1.38 0.00 0.00 54.79 53.25 3hx7 n ASP 39 Cb 0.12 0.69 0.03 0.00 -1.04 0.00 0.00 41.12 40.92 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 -2.38 1.05 0.13 -0.67 1.74 -0.91 -4.60 116.66 111.02 3hx7 n ARG 40 Ca 0.00 0.39 0.11 0.00 -0.77 0.00 0.00 57.85 57.58 3hx7 n ARG 40 Cb 0.51 -1.98 0.50 0.00 -1.02 0.00 0.00 32.46 30.48 3hx7 n ARG 40 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hx7 n ASP 41 N 0.25 0.62 -0.42 0.55 5.75 -1.26 -0.17 116.55 121.88 3hx7 n ASP 41 Ca 0.11 0.68 0.12 0.00 -0.01 0.00 0.00 54.79 55.69 3hx7 n ASP 41 Cb 0.42 -0.80 0.20 0.00 -1.03 0.00 0.00 41.12 39.91 3hx7 n ASP 41 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3hx7 n ASP 42 N -2.22 1.64 -0.04 -1.12 3.85 -1.26 -4.36 116.55 113.05 3hx7 n ASP 42 Ca 0.01 -1.29 -0.08 0.00 -0.71 0.00 0.00 54.79 52.72 3hx7 n ASP 42 Cb 0.18 0.27 -0.03 0.00 -1.35 0.00 0.00 41.12 40.19 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 -0.17 0.49 -3.83 2.12 0.31 -0.94 -5.08 118.33 111.24 3hx7 n VAL 43 Ca 0.12 -0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 64.06 3hx7 n VAL 43 Cb 0.42 -1.62 0.01 0.00 -0.91 0.00 0.00 33.84 31.74 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 -3.39 -2.73 -3.56 3.52 0.00 0.77 -4.97 120.51 110.16 3hx7 n ALA 44 Ca -0.15 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.67 3hx7 n ALA 44 Cb 0.59 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.35 1.54 -0.32 0.00 4.77 -0.39 -4.99 117.00 114.26 3hx7 n LEU 45 Ca -0.23 -4.89 0.09 0.00 -0.03 0.00 0.00 56.01 50.94 3hx7 n LEU 45 Cb 0.64 -0.10 0.20 0.00 -2.33 0.00 0.00 43.42 41.83 3hx7 n LEU 45 CO 0.66 1.88 0.76 -0.08 -1.33 0.00 0.00 177.39 179.28 3hx7 h GLU 46 N 5.09 0.03 -0.61 3.23 4.81 -1.94 0.59 114.58 125.78 3hx7 h GLU 46 Ca 0.19 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3hx7 h GLU 46 Cb 0.81 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 3hx7 h GLU 46 CO 0.58 0.02 0.18 0.78 -0.73 0.00 0.00 179.01 179.84 3hx7 h GLY 47 N 0.03 1.02 1.45 1.92 0.00 -1.94 0.85 103.07 106.39 3hx7 h GLY 47 Ca 0.50 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 3hx7 h GLY 47 CO -0.88 0.57 -0.46 -2.08 0.00 0.00 0.00 176.54 173.70 3hx7 h VAL 48 N 0.87 1.30 -0.24 4.60 2.07 -1.54 -1.98 116.25 121.33 3hx7 h VAL 48 Ca 0.19 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 3hx7 h VAL 48 Cb 0.30 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3hx7 h VAL 48 CO -0.00 0.52 0.01 -1.28 0.02 0.00 0.00 177.57 176.83 3hx7 h SER 49 N 0.48 0.41 -0.73 0.57 0.87 -0.71 -2.78 113.55 111.66 3hx7 h SER 49 Ca 0.03 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 3hx7 h SER 49 Cb 0.98 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 3hx7 h SER 49 CO 0.09 0.61 0.45 -0.74 -0.53 0.00 0.00 176.83 176.71 3hx7 h HIS 50 N 0.19 0.83 -0.54 2.24 6.17 -0.76 -1.55 115.15 121.74 3hx7 h HIS 50 Ca 0.07 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.20 3hx7 h HIS 50 Cb 0.40 -0.27 -0.04 0.00 2.52 0.00 0.00 27.41 30.02 3hx7 h HIS 50 CO 0.03 0.45 0.32 0.35 0.71 0.00 0.00 177.93 179.79 3hx7 h PHE 51 N 0.85 0.59 -0.04 5.26 3.57 -1.21 -1.55 116.94 124.42 3hx7 h PHE 51 Ca 0.30 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.64 3hx7 h PHE 51 Cb 0.08 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3hx7 h PHE 51 CO -0.05 0.33 -0.78 0.74 -2.23 0.00 0.00 178.31 176.33 3hx7 h PHE 52 N 0.63 0.40 -0.70 0.41 0.05 -1.20 -2.66 116.94 113.87 3hx7 h PHE 52 Ca 0.22 -0.19 -0.07 0.00 3.82 0.00 0.00 57.97 61.75 3hx7 h PHE 52 Cb 0.04 -0.06 -0.03 0.00 2.00 0.00 0.00 35.95 37.90 3hx7 h PHE 52 CO -0.07 0.95 0.17 0.00 -0.18 0.00 0.00 178.31 179.19 3hx7 h ARG 53 N 0.19 1.11 -0.73 1.51 3.08 -0.98 -0.63 114.38 117.93 3hx7 h ARG 53 Ca -0.03 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 3hx7 h ARG 53 Cb 1.36 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3hx7 h ARG 53 CO 0.12 0.97 0.20 0.93 -1.07 0.00 0.00 179.97 181.13 3hx7 h GLU 54 N 1.05 1.14 -0.74 0.04 5.08 -1.23 -2.42 114.58 117.51 3hx7 h GLU 54 Ca 0.22 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3hx7 h GLU 54 Cb 0.36 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3hx7 h GLU 54 CO 0.00 0.99 0.24 -0.07 -1.00 0.00 0.00 179.01 179.17 3hx7 h LEU 55 N 1.09 1.07 -1.42 1.33 3.38 -1.10 -1.37 115.31 118.28 3hx7 h LEU 55 Ca 0.23 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3hx7 h LEU 55 Cb 0.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3hx7 h LEU 55 CO -0.00 0.99 0.47 0.00 0.09 0.00 0.00 178.44 179.99 3hx7 h ALA 56 N 1.12 1.78 0.00 1.53 0.00 -0.67 0.64 119.26 123.67 3hx7 h ALA 56 Ca 0.24 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 3hx7 h ALA 56 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hx7 h ALA 56 CO -0.01 0.09 -0.70 1.49 0.00 0.00 0.00 179.25 180.12 3hx7 h GLU 57 N 0.68 0.00 -0.07 0.00 4.57 -0.93 -2.63 114.58 116.19 3hx7 h GLU 57 Ca 0.32 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.33 3hx7 h GLU 57 Cb 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3hx7 h GLU 57 CO -0.11 0.70 -0.69 0.93 -1.18 0.00 0.00 179.01 178.66 3hx7 h GLU 58 N 0.00 0.33 -0.03 1.92 5.08 0.14 -1.96 114.58 120.05 3hx7 h GLU 58 Ca -0.01 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 3hx7 h GLU 58 Cb 1.38 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3hx7 h GLU 58 CO 0.09 0.89 -0.72 0.87 -1.00 0.00 0.00 179.01 179.14 3hx7 h LYS 59 N 0.23 0.17 -0.16 2.33 1.79 -1.10 -1.78 116.57 118.05 3hx7 h LYS 59 Ca -0.02 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 3hx7 h LYS 59 Cb 1.24 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 3hx7 h LYS 59 CO 0.11 0.82 0.01 -0.09 -1.08 0.00 0.00 179.45 179.23 3hx7 h ARG 60 N 0.12 0.27 0.00 3.15 2.43 -1.32 -0.99 114.38 118.03 3hx7 h ARG 60 Ca -0.02 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3hx7 h ARG 60 Cb 1.27 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3hx7 h ARG 60 CO 0.11 0.47 -0.06 0.93 -1.51 0.00 0.00 179.97 179.90 3hx7 h GLU 61 N 0.04 0.00 0.46 0.20 5.08 -1.30 -1.90 114.58 117.15 3hx7 h GLU 61 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hx7 h GLU 61 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hx7 h GLU 61 CO 0.01 0.06 -0.22 0.78 -1.00 0.00 0.00 179.01 178.63 3hx7 h GLY 62 N 0.55 -0.65 1.45 -3.84 0.00 -0.31 -2.61 103.07 97.67 3hx7 h GLY 62 Ca -0.00 0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 3hx7 h GLY 62 CO 0.01 -0.23 -0.10 0.10 0.00 0.00 0.00 176.54 176.31 3hx7 h TYR 63 N -1.07 0.71 -0.15 5.60 -0.00 -0.97 -2.27 116.97 118.83 3hx7 h TYR 63 Ca -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 58.73 58.53 3hx7 h TYR 63 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 37.09 3hx7 h TYR 63 CO 0.01 0.74 -0.02 0.93 -0.00 0.00 0.00 178.16 179.83 3hx7 h GLU 64 N 0.60 0.21 -0.12 0.10 5.08 -1.44 0.24 114.58 119.26 3hx7 h GLU 64 Ca 0.11 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 3hx7 h GLU 64 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hx7 h GLU 64 CO 0.03 0.25 -0.65 -0.09 -1.00 0.00 0.00 179.01 177.55 3hx7 h ARG 65 N 0.21 0.45 0.32 2.33 2.43 -1.02 -0.81 114.38 118.30 3hx7 h ARG 65 Ca 0.05 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 3hx7 h ARG 65 Cb 0.18 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hx7 h ARG 65 CO 0.00 0.95 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.19 3hx7 h LEU 66 N 0.33 -0.36 -1.41 3.80 3.38 -0.54 -1.75 115.31 118.76 3hx7 h LEU 66 Ca -0.01 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.90 3hx7 h LEU 66 Cb 1.20 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 3hx7 h LEU 66 CO 0.11 -0.01 0.50 -0.07 0.09 0.00 0.00 178.44 179.06 3hx7 h LEU 67 N -0.75 0.59 -0.10 1.67 3.38 -0.57 0.19 115.31 119.71 3hx7 h LEU 67 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hx7 h LEU 67 Cb 0.50 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hx7 h LEU 67 CO 0.07 0.35 0.03 0.50 0.09 0.00 0.00 178.44 179.48 3hx7 h LYS 68 N 0.65 0.16 -0.48 1.13 1.63 -1.04 -2.54 116.57 116.08 3hx7 h LYS 68 Ca 0.35 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.08 3hx7 h LYS 68 Cb 0.50 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 3hx7 h LYS 68 CO -0.13 0.31 0.13 1.98 -3.45 0.00 0.00 179.45 178.29 3hx7 h MET 69 N -0.02 0.72 0.02 1.90 4.05 -0.27 -2.40 114.93 118.93 3hx7 h MET 69 Ca 0.03 -0.13 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 3hx7 h MET 69 Cb 0.22 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 3hx7 h MET 69 CO -0.00 0.65 -0.20 0.37 0.23 0.00 0.00 176.91 177.96 3hx7 h GLN 70 N 0.70 -0.31 0.00 0.39 5.75 -0.38 -1.62 115.11 119.64 3hx7 h GLN 70 Ca 0.16 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 3hx7 h GLN 70 Cb 0.24 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3hx7 h GLN 70 CO -0.01 -0.21 -0.26 -0.91 -2.65 0.00 0.00 178.83 174.79 3hx7 h ASN 71 N -0.33 0.00 -0.66 -0.69 4.21 -1.25 0.24 115.58 117.11 3hx7 h ASN 71 Ca 0.05 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.49 3hx7 h ASN 71 Cb 0.39 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.57 3hx7 h ASN 71 CO -0.17 0.26 0.12 1.56 -1.29 0.00 0.00 177.43 177.91 3hx7 h GLN 72 N 0.00 1.08 0.00 0.81 4.20 -0.81 -2.93 115.11 117.46 3hx7 h GLN 72 Ca -0.00 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3hx7 h GLN 72 Cb 0.47 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hx7 h GLN 72 CO 0.03 0.99 -0.15 0.00 -0.67 0.00 0.00 178.83 179.04 3hx7 h ARG 73 N 1.00 0.00 0.00 1.46 2.47 -1.24 -3.47 114.38 114.60 3hx7 h ARG 73 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3hx7 h ARG 73 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3hx7 h ARG 73 CO 0.01 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.95 3hx7 n GLY 74 N 1.17 0.82 3.72 0.04 0.00 -1.02 -4.00 105.19 105.92 3hx7 n GLY 74 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.80 1.66 -0.22 -0.02 0.00 0.04 -4.63 107.32 103.36 3hx7 s GLY 75 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.98 3hx7 s GLY 75 CO 0.00 0.66 -0.14 0.50 0.00 0.00 0.00 173.10 174.12 3hx7 s ARG 76 N -4.83 2.78 0.15 2.90 1.81 -1.26 -4.11 118.95 116.37 3hx7 s ARG 76 Ca 0.63 -0.99 -0.31 0.00 -1.72 0.00 0.00 55.73 53.34 3hx7 s ARG 76 Cb -0.19 -2.75 -0.09 0.00 -0.45 0.00 0.00 34.95 31.47 3hx7 s ARG 76 CO 0.57 -0.34 1.54 0.00 -0.68 0.00 0.00 175.30 176.39 3hx7 s ALA 77 N 1.25 3.73 -0.11 2.13 0.00 -1.26 -5.00 121.76 122.50 3hx7 s ALA 77 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3hx7 s ALA 77 Cb -0.16 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3hx7 s ALA 77 CO -0.09 -0.77 -0.11 -0.51 0.00 0.00 0.00 175.76 174.28 3hx7 s LEU 78 N 1.27 1.44 0.16 0.00 1.43 -1.26 -5.14 118.68 116.58 3hx7 s LEU 78 Ca 0.69 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 3hx7 s LEU 78 Cb -0.42 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3hx7 s LEU 78 CO 0.31 -0.06 0.28 -0.36 0.23 0.00 0.00 176.35 176.75 3hx7 s PHE 79 N 1.38 3.45 0.32 0.29 0.08 -1.26 -4.86 117.98 117.38 3hx7 s PHE 79 Ca -0.00 0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.17 3hx7 s PHE 79 Cb -0.13 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 3hx7 s PHE 79 CO -0.06 0.51 0.13 -1.14 -0.10 0.00 0.00 175.22 174.57 3hx7 s GLN 80 N -3.30 1.64 0.49 0.44 2.00 -1.26 -5.13 119.66 114.54 3hx7 s GLN 80 Ca 0.34 -1.94 -0.24 0.00 -2.00 0.00 0.00 55.36 51.52 3hx7 s GLN 80 Cb -0.11 -0.31 -0.07 0.00 0.80 0.00 0.00 33.01 33.32 3hx7 s GLN 80 CO 0.28 -0.41 1.33 -0.25 -0.50 0.00 0.00 175.29 175.74 3hx7 n ASP 81 N -0.91 2.70 -4.37 6.67 10.43 -1.26 -4.96 116.55 124.85 3hx7 n ASP 81 Ca -0.01 1.04 -0.42 0.00 2.57 0.00 0.00 54.79 57.98 3hx7 n ASP 81 Cb 0.65 -1.55 -0.10 0.00 1.84 0.00 0.00 41.12 41.97 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 -1.25 4.78 0.28 0.53 1.01 -1.26 -5.06 121.20 120.23 3hx7 s ILE 82 Ca 0.66 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 3hx7 s ILE 82 Cb -0.45 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 3hx7 s ILE 82 CO 0.54 -0.41 1.46 -0.54 0.00 0.00 0.00 174.94 175.99 3hx7 s LYS 83 N 1.57 4.24 0.98 2.79 1.02 -1.26 -4.98 119.74 124.09 3hx7 s LYS 83 Ca 0.03 2.37 -0.11 0.00 0.02 0.00 0.00 55.97 58.28 3hx7 s LYS 83 Cb -0.22 -3.08 0.18 0.00 -0.52 0.00 0.00 37.83 34.20 3hx7 s LYS 83 CO 0.06 -0.45 1.10 -1.59 -0.92 0.00 0.00 175.35 173.55 3hx7 s LYS 84 N -0.67 0.51 0.56 1.68 -2.85 -1.26 -4.88 119.74 112.82 3hx7 s LYS 84 Ca 0.59 1.24 -0.21 0.00 -1.00 0.00 0.00 55.97 56.59 3hx7 s LYS 84 Cb -0.43 -1.69 -0.05 0.00 -2.06 0.00 0.00 37.83 33.60 3hx7 s LYS 84 CO 0.47 -2.88 1.24 -2.30 0.10 0.00 0.00 175.35 171.97 3hx7 n PRO 85 N -4.38 1.44 0.20 1.78 -0.02 -1.26 -4.88 135.00 127.88 3hx7 n PRO 85 Ca 0.08 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 3hx7 n PRO 85 Cb 0.53 -2.43 0.68 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 1.16 1.00 -2.19 3.55 0.00 -1.98 -3.44 119.26 117.37 3hx7 h ALA 86 Ca -0.50 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.00 3hx7 h ALA 86 Cb 1.32 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 3hx7 h ALA 86 CO 0.55 0.00 -0.61 -1.21 0.00 0.00 0.00 179.25 177.99 3hx7 s GLU 87 N -3.60 1.53 0.00 0.00 0.41 -1.26 -5.04 118.70 110.75 3hx7 s GLU 87 Ca -0.00 -1.85 0.00 0.00 -0.41 0.00 0.00 54.97 52.71 3hx7 s GLU 87 Cb 0.09 -0.51 0.00 0.00 -1.78 0.00 0.00 34.13 31.93 3hx7 s GLU 87 CO 0.33 -0.27 0.00 -0.25 -0.49 0.00 0.00 175.26 174.59 3hx7 n ASP 88 N -0.60 0.34 -3.73 -0.19 8.00 -1.26 -4.99 116.55 114.11 3hx7 n ASP 88 Ca -0.01 -0.32 -0.12 0.00 0.71 0.00 0.00 54.79 55.05 3hx7 n ASP 88 Cb 0.66 0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 42.33 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 -0.77 0.21 0.00 -1.24 2.02 -1.26 -5.05 118.70 112.62 3hx7 s GLU 89 Ca 0.00 0.51 0.20 0.00 0.02 0.00 0.00 54.97 55.70 3hx7 s GLU 89 Cb 0.00 -0.10 0.53 0.00 0.10 0.00 0.00 34.13 34.66 3hx7 s GLU 89 CO 0.00 -0.15 1.44 0.91 0.02 0.00 0.00 175.26 177.48 3hx7 n TRP 90 N 4.12 0.78 -1.66 1.61 7.02 -1.26 -5.08 117.44 122.97 3hx7 n TRP 90 Ca -0.24 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 55.78 3hx7 n TRP 90 Cb 0.53 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 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 1.35 2.27 3.92 6.99 0.00 -1.26 -3.70 105.19 114.77 3hx7 n GLY 91 Ca 0.21 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 3.55 0.20 1.61 1.02 -1.26 -4.93 119.74 119.92 3hx7 s LYS 92 Ca 0.00 -0.26 -0.12 0.00 0.02 0.00 0.00 55.97 55.61 3hx7 s LYS 92 Cb 0.00 -2.78 0.24 0.00 -0.52 0.00 0.00 37.83 34.77 3hx7 s LYS 92 CO 0.00 0.34 1.25 2.41 -0.92 0.00 0.00 175.35 178.43 3hx7 n THR 93 N -0.81 -0.40 0.09 2.17 -1.04 -1.26 0.18 114.28 113.21 3hx7 n THR 93 Ca -0.04 1.88 0.07 0.00 -2.04 0.00 0.00 64.05 63.92 3hx7 n THR 93 Cb 0.54 -2.51 0.53 0.00 -1.82 0.00 0.00 70.33 67.06 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 0.30 -0.26 -2.82 0.11 -1.95 0.08 132.00 127.45 3hx7 h PRO 94 Ca 0.31 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 3hx7 h PRO 94 Cb 0.51 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3hx7 h PRO 94 CO -0.81 0.20 -0.12 -0.44 -0.21 0.00 0.00 178.00 176.62 3hx7 h ASP 95 N 0.30 0.56 -0.49 -2.05 3.45 -0.54 -2.00 116.42 115.65 3hx7 h ASP 95 Ca 0.11 -0.40 -0.08 0.00 0.43 0.00 0.00 57.03 57.09 3hx7 h ASP 95 Cb 0.06 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 3hx7 h ASP 95 CO -0.02 0.84 0.01 0.00 -1.57 0.00 0.00 179.24 178.49 3hx7 h ALA 96 N 0.74 0.66 -0.80 3.45 0.00 -0.94 -2.46 119.26 119.92 3hx7 h ALA 96 Ca 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3hx7 h ALA 96 Cb 0.62 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3hx7 h ALA 96 CO 0.04 0.46 0.35 1.98 0.00 0.00 0.00 179.25 182.08 3hx7 h MET 97 N 0.72 1.17 -0.72 0.00 -1.53 -0.96 -0.52 114.93 113.10 3hx7 h MET 97 Ca 0.14 -0.19 -0.06 0.00 -3.44 0.00 0.00 59.70 56.15 3hx7 h MET 97 Cb 0.50 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 31.32 3hx7 h MET 97 CO 0.02 0.92 0.21 0.87 0.14 0.00 0.00 176.91 179.08 3hx7 h LYS 98 N 1.15 1.13 -0.30 0.39 1.57 -1.25 0.12 116.57 119.37 3hx7 h LYS 98 Ca 0.27 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3hx7 h LYS 98 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3hx7 h LYS 98 CO -0.03 0.97 0.18 0.00 -0.57 0.00 0.00 179.45 180.00 3hx7 h ALA 99 N 1.10 0.38 -0.04 3.86 0.00 -0.91 0.12 119.26 123.77 3hx7 h ALA 99 Ca 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hx7 h ALA 99 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hx7 h ALA 99 CO -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.07 3hx7 h ALA 100 N 1.14 0.05 -0.56 0.00 0.00 -0.71 0.14 119.26 119.32 3hx7 h ALA 100 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3hx7 h ALA 100 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 3hx7 h ALA 100 CO -0.06 -0.42 0.12 1.98 0.00 0.00 0.00 179.25 180.87 3hx7 h MET 101 N -0.01 0.25 -0.64 0.00 -1.53 -0.48 0.57 114.93 113.09 3hx7 h MET 101 Ca 0.01 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.20 3hx7 h MET 101 Cb 0.06 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.03 3hx7 h MET 101 CO -0.00 0.16 0.17 0.00 0.14 0.00 0.00 176.91 177.39 3hx7 h ALA 102 N 1.44 0.85 -0.63 0.39 0.00 -0.47 -2.29 119.26 118.55 3hx7 h ALA 102 Ca 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hx7 h ALA 102 Cb 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3hx7 h ALA 102 CO -0.37 0.54 0.20 1.25 0.00 0.00 0.00 179.25 180.87 3hx7 h LEU 103 N 0.94 0.92 -0.63 0.00 5.85 0.26 -2.07 115.31 120.58 3hx7 h LEU 103 Ca 0.20 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3hx7 h LEU 103 Cb 0.33 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3hx7 h LEU 103 CO -0.00 0.89 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.60 3hx7 h GLU 104 N 0.91 1.02 -0.54 1.25 4.39 -0.81 -2.10 114.58 118.70 3hx7 h GLU 104 Ca 0.20 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 3hx7 h GLU 104 Cb 0.29 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3hx7 h GLU 104 CO -0.01 1.03 0.15 0.87 -1.16 0.00 0.00 179.01 179.89 3hx7 h LYS 105 N 0.92 0.82 0.11 2.33 1.57 -1.23 0.34 116.57 121.42 3hx7 h LYS 105 Ca 0.16 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hx7 h LYS 105 Cb 0.60 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hx7 h LYS 105 CO 0.04 0.72 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.36 3hx7 h LYS 106 N 0.79 -0.15 -0.42 3.15 3.64 -1.00 0.22 116.57 122.81 3hx7 h LYS 106 Ca 0.18 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3hx7 h LYS 106 Cb 0.26 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3hx7 h LYS 106 CO -0.01 -0.05 0.25 -0.07 -2.27 0.00 0.00 179.45 177.30 3hx7 h LEU 107 N -0.20 0.51 -0.63 5.20 3.38 -0.98 -0.13 115.31 122.46 3hx7 h LEU 107 Ca -0.02 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3hx7 h LEU 107 Cb 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3hx7 h LEU 107 CO 0.03 0.41 0.32 -1.13 0.09 0.00 0.00 178.44 178.16 3hx7 h ASN 108 N 0.56 0.45 -0.46 -0.43 -0.73 -0.07 0.12 115.58 115.01 3hx7 h ASN 108 Ca 0.15 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 3hx7 h ASN 108 Cb 0.00 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 3hx7 h ASN 108 CO -0.03 0.29 0.24 -0.61 -0.37 0.00 0.00 177.43 176.95 3hx7 h GLN 109 N 0.59 0.65 -0.66 6.67 5.75 0.05 -0.94 115.11 127.22 3hx7 h GLN 109 Ca 0.29 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.73 3hx7 h GLN 109 Cb 0.23 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3hx7 h GLN 109 CO -0.21 0.53 0.43 0.00 -2.65 0.00 0.00 178.83 176.93 3hx7 h ALA 110 N 1.09 1.58 0.03 3.38 0.00 0.25 -0.48 119.26 125.10 3hx7 h ALA 110 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hx7 h ALA 110 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hx7 h ALA 110 CO -0.02 0.37 -0.02 -0.07 0.00 0.00 0.00 179.25 179.52 3hx7 h LEU 111 N 0.84 -0.04 -1.31 0.00 3.38 -0.17 -1.80 115.31 116.21 3hx7 h LEU 111 Ca 0.25 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.99 3hx7 h LEU 111 Cb -0.03 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3hx7 h LEU 111 CO -0.06 0.30 0.52 -0.07 0.09 0.00 0.00 178.44 179.23 3hx7 h LEU 112 N -0.38 0.71 -0.15 1.67 3.38 -0.62 0.10 115.31 120.03 3hx7 h LEU 112 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3hx7 h LEU 112 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hx7 h LEU 112 CO 0.01 0.43 0.00 0.44 0.09 0.00 0.00 178.44 179.41 3hx7 h ASP 113 N 0.79 0.25 -0.31 -0.43 3.45 -0.96 -1.88 116.42 117.33 3hx7 h ASP 113 Ca 0.36 -0.31 -0.03 0.00 0.43 0.00 0.00 57.03 57.48 3hx7 h ASP 113 Cb 0.37 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 3hx7 h ASP 113 CO -0.14 0.50 0.09 0.25 -1.57 0.00 0.00 179.24 178.37 3hx7 h LEU 114 N -0.00 0.52 -0.49 1.55 5.85 -0.37 -0.51 115.31 121.86 3hx7 h LEU 114 Ca 0.04 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3hx7 h LEU 114 Cb 0.37 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3hx7 h LEU 114 CO 0.01 0.52 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.78 3hx7 h HIS 115 N 0.55 1.05 -0.40 1.25 2.76 -0.69 -1.20 115.15 118.47 3hx7 h HIS 115 Ca 0.13 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 3hx7 h HIS 115 Cb 0.22 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 3hx7 h HIS 115 CO 0.01 1.01 0.18 0.00 -1.30 0.00 0.00 177.93 177.82 3hx7 h ALA 116 N 0.89 0.52 -0.07 5.26 0.00 -0.56 -0.33 119.26 124.97 3hx7 h ALA 116 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hx7 h ALA 116 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hx7 h ALA 116 CO 0.05 0.10 -0.10 1.25 0.00 0.00 0.00 179.25 180.55 3hx7 h LEU 117 N 0.50 0.10 -0.52 0.00 5.85 -1.00 -0.79 115.31 119.44 3hx7 h LEU 117 Ca 0.14 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 3hx7 h LEU 117 Cb 0.16 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hx7 h LEU 117 CO -0.01 0.21 -0.54 1.23 -0.34 0.00 0.00 178.44 178.99 3hx7 h GLY 118 N 0.49 0.61 1.08 3.75 0.00 -0.25 -1.96 103.07 106.79 3hx7 h GLY 118 Ca 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.51 3hx7 h GLY 118 CO 0.01 0.63 -0.28 1.76 0.00 0.00 0.00 176.54 178.67 3hx7 h SER 119 N 0.43 0.95 -0.54 0.19 0.02 -0.08 0.17 113.55 114.68 3hx7 h SER 119 Ca 0.01 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3hx7 h SER 119 Cb 1.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3hx7 h SER 119 CO 0.10 1.18 0.22 0.00 -1.14 0.00 0.00 176.83 177.19 3hx7 h ALA 120 N 0.80 0.71 -0.19 3.77 0.00 -1.11 -2.10 119.26 121.13 3hx7 h ALA 120 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hx7 h ALA 120 Cb 0.86 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hx7 h ALA 120 CO 0.08 0.32 0.00 0.54 0.00 0.00 0.00 179.25 180.18 3hx7 n ARG 121 N -4.51 1.45 -3.89 0.00 5.12 -0.75 -4.92 116.66 109.16 3hx7 n ARG 121 Ca 0.02 -0.69 -0.40 0.00 -1.93 0.00 0.00 57.85 54.86 3hx7 n ARG 121 Cb 0.16 -1.16 0.03 0.00 -1.16 0.00 0.00 32.46 30.34 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 0.06 -4.23 -3.72 0.55 -2.24 -0.79 -4.93 114.28 98.97 3hx7 n THR 122 Ca 0.06 -0.76 -0.34 0.00 -2.27 0.00 0.00 64.05 60.74 3hx7 n THR 122 Cb 0.17 -3.28 -0.08 0.00 -2.10 0.00 0.00 70.33 65.03 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 -3.49 5.61 0.44 3.42 -1.08 0.55 -4.94 116.67 117.19 3hx7 s ASP 123 Ca 0.48 -3.74 0.10 0.00 -0.52 0.00 0.00 52.55 48.87 3hx7 s ASP 123 Cb -0.22 -1.82 0.98 0.00 -1.46 0.00 0.00 42.92 40.39 3hx7 s ASP 123 CO 0.92 -0.16 2.07 1.55 0.52 0.00 0.00 175.17 180.08 3hx7 h PRO 124 N 5.85 0.40 -0.42 4.34 0.13 -1.92 -2.37 132.00 138.00 3hx7 h PRO 124 Ca 0.15 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 3hx7 h PRO 124 Cb 0.80 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 3hx7 h PRO 124 CO 0.81 0.26 0.16 1.25 -0.23 0.00 0.00 178.00 180.25 3hx7 h HIS 125 N 0.41 0.65 -0.64 1.56 2.76 -1.96 -0.31 115.15 117.63 3hx7 h HIS 125 Ca 0.13 -0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.16 3hx7 h HIS 125 Cb 0.02 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 3hx7 h HIS 125 CO -0.00 0.58 0.06 1.25 -1.30 0.00 0.00 177.93 178.52 3hx7 h LEU 126 N 0.54 1.05 -0.13 0.26 5.85 -1.87 -0.37 115.31 120.64 3hx7 h LEU 126 Ca 0.14 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3hx7 h LEU 126 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3hx7 h LEU 126 CO -0.01 1.07 0.08 0.00 -0.34 0.00 0.00 178.44 179.24 3hx7 h ASP 128 N 0.14 -0.18 -0.75 0.00 3.58 -0.93 -0.90 116.42 117.37 3hx7 h ASP 128 Ca 0.05 0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.67 3hx7 h ASP 128 Cb 0.03 0.09 -0.09 0.00 1.72 0.00 0.00 39.33 41.08 3hx7 h ASP 128 CO -0.01 -0.09 0.32 0.15 -2.88 0.00 0.00 179.24 176.73 3hx7 h PHE 129 N -0.09 0.55 -0.18 0.28 3.04 -0.86 0.29 116.94 119.97 3hx7 h PHE 129 Ca 0.04 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.84 3hx7 h PHE 129 Cb 0.14 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 3hx7 h PHE 129 CO -0.15 0.10 -0.63 -0.07 -2.02 0.00 0.00 178.31 175.53 3hx7 h LEU 130 N 0.48 0.74 -0.58 0.59 3.38 -0.98 -2.70 115.31 116.25 3hx7 h LEU 130 Ca 0.41 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3hx7 h LEU 130 Cb 0.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3hx7 h LEU 130 CO -0.38 1.19 0.08 -0.33 0.09 0.00 0.00 178.44 179.10 3hx7 h GLU 131 N 0.48 0.97 0.04 1.13 5.08 -0.30 0.14 114.58 122.12 3hx7 h GLU 131 Ca -0.01 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3hx7 h GLU 131 Cb 1.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hx7 h GLU 131 CO 0.12 0.93 -0.02 1.15 -1.00 0.00 0.00 179.01 180.20 3hx7 h THR 132 N 0.87 1.33 0.00 1.13 2.02 -0.98 -3.38 112.91 113.90 3hx7 h THR 132 Ca 0.18 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 66.02 3hx7 h THR 132 Cb 0.44 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3hx7 h THR 132 CO 0.01 0.33 -0.74 1.41 0.37 0.00 0.00 175.52 176.91 3hx7 n HIS 133 N -4.83 0.00 0.03 3.16 8.25 -1.02 -4.87 115.22 115.94 3hx7 n HIS 133 Ca -0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3hx7 n HIS 133 Cb 0.29 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.37 0.00 -0.23 4.41 3.72 -0.89 -4.71 117.46 118.39 3hx7 n PHE 134 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 3hx7 n PHE 134 Cb 0.24 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.01 -1.91 -1.11 4.37 3.38 -0.91 -1.49 115.31 117.64 3hx7 h LEU 135 Ca -0.00 0.27 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 3hx7 h LEU 135 Cb 0.37 0.81 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3hx7 h LEU 135 CO -0.00 -0.35 -0.28 -0.78 0.09 0.00 0.00 178.44 177.12 3hx7 h ASP 136 N -0.27 0.00 -0.60 -0.43 -0.00 -1.84 -2.93 116.42 110.36 3hx7 h ASP 136 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 57.09 3hx7 h ASP 136 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.84 3hx7 h ASP 136 CO -0.71 0.28 0.19 -0.33 -0.00 0.00 0.00 179.24 178.67 3hx7 h GLU 137 N 0.00 0.96 -0.09 0.28 4.39 -1.57 -2.06 114.58 116.49 3hx7 h GLU 137 Ca -0.00 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 3hx7 h GLU 137 Cb 0.77 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3hx7 h GLU 137 CO 0.04 0.83 -0.21 0.93 -1.16 0.00 0.00 179.01 179.44 3hx7 h GLU 138 N 0.93 0.30 -0.12 2.33 4.39 -1.24 -2.58 114.58 118.60 3hx7 h GLU 138 Ca 0.21 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3hx7 h GLU 138 Cb 0.28 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 3hx7 h GLU 138 CO -0.01 0.81 -0.18 0.28 -1.16 0.00 0.00 179.01 178.76 3hx7 h VAL 139 N -0.16 0.55 -0.50 3.13 2.07 -1.41 0.48 116.25 120.40 3hx7 h VAL 139 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3hx7 h VAL 139 Cb 0.81 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3hx7 h VAL 139 CO 0.05 0.00 0.19 0.11 0.02 0.00 0.00 177.57 177.93 3hx7 h LYS 140 N -0.23 0.72 -0.08 1.57 1.57 -1.46 -0.50 116.57 118.17 3hx7 h LYS 140 Ca 0.09 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3hx7 h LYS 140 Cb 0.36 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hx7 h LYS 140 CO -0.25 0.61 -0.29 1.25 -0.57 0.00 0.00 179.45 180.20 3hx7 h LEU 141 N 0.72 0.40 -0.43 2.94 5.85 -0.97 -1.15 115.31 122.67 3hx7 h LEU 141 Ca 0.17 -0.62 0.03 0.00 0.84 0.00 0.00 57.88 58.30 3hx7 h LEU 141 Cb 0.16 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hx7 h LEU 141 CO -0.01 0.95 0.23 0.40 -0.34 0.00 0.00 178.44 179.67 3hx7 h ILE 142 N -0.13 1.00 -0.67 4.05 2.04 0.14 0.46 117.51 124.40 3hx7 h ILE 142 Ca -0.01 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.73 3hx7 h ILE 142 Cb 0.92 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3hx7 h ILE 142 CO 0.06 0.08 0.41 0.50 0.00 0.00 0.00 178.15 179.20 3hx7 h LYS 143 N 0.46 0.76 -0.39 2.37 1.63 -1.09 0.79 116.57 121.11 3hx7 h LYS 143 Ca 0.18 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3hx7 h LYS 143 Cb 0.06 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3hx7 h LYS 143 CO -0.11 0.50 0.24 -0.22 -3.45 0.00 0.00 179.45 176.41 3hx7 h LYS 144 N 0.78 0.47 -0.38 1.90 3.64 -0.07 0.18 116.57 123.08 3hx7 h LYS 144 Ca 0.28 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3hx7 h LYS 144 Cb 0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3hx7 h LYS 144 CO -0.13 0.31 -0.13 0.52 -2.27 0.00 0.00 179.45 177.75 3hx7 h MET 145 N 0.48 0.69 -0.43 1.90 2.86 -0.42 -2.13 114.93 117.87 3hx7 h MET 145 Ca 0.15 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3hx7 h MET 145 Cb -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3hx7 h MET 145 CO -0.06 0.80 0.29 0.78 1.06 0.00 0.00 176.91 179.77 3hx7 h GLY 146 N 0.97 0.61 1.19 8.32 0.00 -0.09 -0.08 103.07 114.01 3hx7 h GLY 146 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.22 3hx7 h GLY 146 CO 0.04 0.23 0.52 -0.55 0.00 0.00 0.00 176.54 176.77 3hx7 h ASP 147 N 0.59 0.87 -0.37 0.19 3.32 -0.65 -2.24 116.42 118.14 3hx7 h ASP 147 Ca 0.16 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3hx7 h ASP 147 Cb -0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3hx7 h ASP 147 CO -0.03 0.62 -0.02 0.45 -1.72 0.00 0.00 179.24 178.54 3hx7 h HIS 148 N 1.03 0.72 -0.23 4.55 3.86 -0.63 -1.79 115.15 122.67 3hx7 h HIS 148 Ca 0.29 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3hx7 h HIS 148 Cb -0.07 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3hx7 h HIS 148 CO -0.00 0.77 0.14 -0.07 0.86 0.00 0.00 177.93 179.63 3hx7 h LEU 149 N 0.47 0.24 -1.03 2.43 3.38 -0.61 0.83 115.31 121.01 3hx7 h LEU 149 Ca 0.10 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hx7 h LEU 149 Cb 0.50 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3hx7 h LEU 149 CO 0.02 0.18 0.65 0.74 0.09 0.00 0.00 178.44 180.12 3hx7 h THR 150 N 0.30 1.25 -0.13 0.22 2.02 -1.36 0.55 112.91 115.75 3hx7 h THR 150 Ca 0.09 -0.46 -0.16 0.00 0.77 0.00 0.00 66.41 66.65 3hx7 h THR 150 Cb -0.02 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.18 3hx7 h THR 150 CO -0.03 0.24 -0.58 0.78 0.37 0.00 0.00 175.52 176.30 3hx7 h ASN 151 N 1.33 0.46 -0.09 4.18 2.35 -0.95 -2.46 115.58 120.40 3hx7 h ASN 151 Ca 0.36 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3hx7 h ASN 151 Cb -0.14 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 3hx7 h ASN 151 CO -0.08 0.94 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.49 3hx7 h LEU 152 N 0.31 0.23 -1.11 1.61 3.38 -0.10 -2.95 115.31 116.68 3hx7 h LEU 152 Ca -0.00 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3hx7 h LEU 152 Cb 1.11 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3hx7 h LEU 152 CO 0.10 0.65 0.52 -0.74 0.09 0.00 0.00 178.44 179.07 3hx7 h HIS 153 N -0.18 1.08 0.00 1.13 2.76 -0.95 -1.57 115.15 117.42 3hx7 h HIS 153 Ca 0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3hx7 h HIS 153 Cb 0.58 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.18 3hx7 h HIS 153 CO 0.08 0.71 0.00 -0.09 -1.30 0.00 0.00 177.93 177.33 3hx7 h ARG 154 N 1.15 0.00 -0.99 5.26 2.43 -1.42 -3.18 114.38 117.63 3hx7 h ARG 154 Ca 0.30 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 3hx7 h ARG 154 Cb -0.08 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3hx7 h ARG 154 CO -0.06 0.00 0.06 1.28 -1.51 0.00 0.00 179.97 179.74 3hx7 n LEU 155 N -2.76 3.04 -0.04 3.80 4.77 -0.59 -4.06 117.00 121.17 3hx7 n LEU 155 Ca 0.01 -1.54 -0.04 0.00 -0.03 0.00 0.00 56.01 54.40 3hx7 n LEU 155 Cb 0.24 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3hx7 n LEU 155 CO 0.23 0.51 -0.31 0.61 -1.33 0.00 0.00 177.39 177.10 3hx7 n GLY 156 N 0.25 -0.43 0.00 -0.72 0.00 -1.20 -5.05 105.19 98.04 3hx7 n GLY 156 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.80 1.24 0.25 -0.02 0.00 -1.26 -4.97 105.19 102.22 3hx7 n GLY 157 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.55 0.00 1.61 0.13 -1.97 -3.53 132.00 127.69 3hx7 h PRO 158 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3hx7 h PRO 158 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 3hx7 h PRO 158 CO 0.00 -0.31 0.00 0.39 -0.23 0.00 0.00 178.00 177.85