#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 n SER 3 N 0.00 -1.11 0.14 4.04 2.88 -1.26 -4.93 113.62 113.37 3hx5 n SER 3 Ca 0.00 0.82 0.12 0.00 -1.33 0.00 0.00 58.87 58.48 3hx5 n SER 3 Cb 0.00 -1.12 0.12 0.00 -0.75 0.00 0.00 64.21 62.46 3hx5 n SER 3 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3hx5 h GLN 4 N 0.54 0.00 -0.01 -1.46 3.07 -1.98 -3.31 115.11 111.96 3hx5 h GLN 4 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 3hx5 h GLN 4 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.96 3hx5 h GLN 4 CO 0.49 0.00 -0.57 0.44 0.09 0.00 0.00 178.83 179.28 3hx5 n ILE 5 N -2.69 0.00 -1.97 1.86 -5.35 -1.26 -4.98 119.36 104.98 3hx5 n ILE 5 Ca 0.02 -0.22 -0.41 0.00 -0.27 0.00 0.00 62.75 61.88 3hx5 n ILE 5 Cb 0.51 1.21 -0.01 0.00 -1.74 0.00 0.00 39.64 39.61 3hx5 n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hx5 s ARG 6 N -2.54 4.24 -0.30 6.28 3.52 -1.25 -4.77 118.95 124.14 3hx5 s ARG 6 Ca 0.16 2.37 -0.12 0.00 -0.13 0.00 0.00 55.73 58.02 3hx5 s ARG 6 Cb 0.17 -3.04 0.16 0.00 -1.56 0.00 0.00 34.95 30.69 3hx5 s ARG 6 CO 0.62 -0.37 0.88 -1.14 -0.81 0.00 0.00 175.30 174.48 3hx5 s GLN 7 N -1.57 0.37 -1.28 5.12 0.74 -1.26 -4.94 119.66 116.84 3hx5 s GLN 7 Ca 0.53 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.77 3hx5 s GLN 7 Cb -0.43 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.17 3hx5 s GLN 7 CO 0.54 -0.22 0.00 -1.71 -0.55 0.00 0.00 175.29 173.36 3hx5 n ASN 8 N 5.22 -4.37 -4.26 6.67 5.15 -1.26 -4.99 115.26 117.42 3hx5 n ASN 8 Ca -0.08 0.18 -0.39 0.00 -0.60 0.00 0.00 54.58 53.69 3hx5 n ASN 8 Cb 0.52 -3.26 -0.11 0.00 -0.53 0.00 0.00 39.78 36.40 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx5 s TYR 9 N -2.56 3.33 0.19 1.20 5.04 -1.26 -4.78 117.35 118.51 3hx5 s TYR 9 Ca 0.00 -1.54 -0.30 0.00 -2.44 0.00 0.00 57.07 52.80 3hx5 s TYR 9 Cb 0.00 -2.72 -0.08 0.00 0.35 0.00 0.00 41.96 39.51 3hx5 s TYR 9 CO 0.00 -0.81 1.08 -1.54 -1.34 0.00 0.00 175.55 172.94 3hx5 s SER 10 N 1.82 7.30 0.62 4.32 1.04 -1.26 -4.94 113.70 122.60 3hx5 s SER 10 Ca 0.02 2.09 0.34 0.00 0.48 0.00 0.00 55.95 58.88 3hx5 s SER 10 Cb -0.22 -2.61 2.00 0.00 0.10 0.00 0.00 66.02 65.29 3hx5 s SER 10 CO 0.02 -0.18 2.28 0.71 0.98 0.00 0.00 173.24 177.05 3hx5 h THR 11 N 3.61 0.36 -0.24 2.02 1.35 -1.99 0.07 112.91 118.09 3hx5 h THR 11 Ca -0.45 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.23 3hx5 h THR 11 Cb 1.21 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3hx5 h THR 11 CO 0.71 0.00 -0.57 0.44 -0.25 0.00 0.00 175.52 175.85 3hx5 h ASP 12 N 0.00 0.84 -0.19 5.36 3.32 -1.99 -2.73 116.42 121.03 3hx5 h ASP 12 Ca 0.01 -0.46 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 3hx5 h ASP 12 Cb 0.05 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3hx5 h ASP 12 CO -0.00 1.23 -0.28 0.58 -1.72 0.00 0.00 179.24 179.05 3hx5 h VAL 13 N 0.57 1.34 -0.26 -1.35 2.07 -1.41 -2.14 116.25 115.06 3hx5 h VAL 13 Ca 0.01 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.09 3hx5 h VAL 13 Cb 1.16 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 3hx5 h VAL 13 CO 0.12 0.45 -0.14 -0.08 0.02 0.00 0.00 177.57 177.95 3hx5 h GLU 14 N 0.18 -0.10 -0.11 1.57 4.81 -1.33 0.14 114.58 119.74 3hx5 h GLU 14 Ca 0.02 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3hx5 h GLU 14 Cb 0.85 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3hx5 h GLU 14 CO 0.06 -0.07 -0.27 0.00 -0.73 0.00 0.00 179.01 178.01 3hx5 h ALA 15 N 1.10 1.34 -0.05 2.92 0.00 -1.53 -2.24 119.26 120.80 3hx5 h ALA 15 Ca 0.14 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3hx5 h ALA 15 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hx5 h ALA 15 CO -0.33 0.46 -0.55 0.00 0.00 0.00 0.00 179.25 178.83 3hx5 h ALA 16 N 1.54 0.98 0.39 0.00 0.00 -0.57 -2.64 119.26 118.96 3hx5 h ALA 16 Ca 0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3hx5 h ALA 16 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hx5 h ALA 16 CO 0.04 0.69 -0.19 0.28 0.00 0.00 0.00 179.25 180.07 3hx5 h VAL 17 N 0.12 0.51 -0.89 0.00 2.07 -0.31 -2.05 116.25 115.69 3hx5 h VAL 17 Ca -0.00 -0.57 0.23 0.00 0.82 0.00 0.00 66.70 67.18 3hx5 h VAL 17 Cb 1.01 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3hx5 h VAL 17 CO 0.08 0.09 0.62 0.78 0.02 0.00 0.00 177.57 179.16 3hx5 h ASN 18 N -0.90 0.19 0.45 0.57 2.35 -1.41 0.33 115.58 117.16 3hx5 h ASN 18 Ca -0.05 0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.49 3hx5 h ASN 18 Cb 0.55 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 3hx5 h ASN 18 CO 0.09 0.07 -0.98 -1.28 -1.65 0.00 0.00 177.43 173.68 3hx5 h SER 19 N 0.19 0.44 0.52 5.81 0.87 -1.39 -2.84 113.55 117.15 3hx5 h SER 19 Ca 0.45 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 3hx5 h SER 19 Cb 1.45 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 3hx5 h SER 19 CO -0.09 1.19 -0.47 0.25 -0.53 0.00 0.00 176.83 177.17 3hx5 h LEU 20 N 0.17 0.00 0.15 2.23 5.85 0.29 -0.98 115.31 123.02 3hx5 h LEU 20 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hx5 h LEU 20 Cb 1.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.66 3hx5 h LEU 20 CO 0.16 0.47 -0.07 0.58 -0.34 0.00 0.00 178.44 179.25 3hx5 h VAL 21 N 0.00 0.93 -0.23 1.05 2.07 -0.87 -0.53 116.25 118.68 3hx5 h VAL 21 Ca -0.00 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3hx5 h VAL 21 Cb 0.86 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3hx5 h VAL 21 CO 0.06 0.08 -0.04 -1.13 0.02 0.00 0.00 177.57 176.56 3hx5 h ASN 22 N -0.34 0.31 -0.07 0.57 -0.73 -1.32 0.42 115.58 114.42 3hx5 h ASN 22 Ca -0.02 -0.05 -0.13 0.00 1.87 0.00 0.00 56.30 57.97 3hx5 h ASN 22 Cb 0.27 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 3hx5 h ASN 22 CO 0.03 0.40 -0.39 0.25 -0.37 0.00 0.00 177.43 177.36 3hx5 h LEU 23 N 0.33 0.62 -0.03 0.34 5.85 -0.91 -1.27 115.31 120.24 3hx5 h LEU 23 Ca 0.07 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3hx5 h LEU 23 Cb 0.28 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3hx5 h LEU 23 CO 0.01 0.94 -0.12 1.88 -0.34 0.00 0.00 178.44 180.82 3hx5 h TYR 24 N 0.49 0.17 -1.01 1.25 0.99 -0.24 -0.59 116.97 118.03 3hx5 h TYR 24 Ca 0.04 -0.07 0.22 0.00 2.00 0.00 0.00 58.73 60.92 3hx5 h TYR 24 Cb 0.89 -0.03 -0.11 0.00 1.00 0.00 0.00 36.73 38.48 3hx5 h TYR 24 CO 0.04 0.76 0.61 -0.07 -0.00 0.00 0.00 178.16 179.49 3hx5 h LEU 25 N -0.46 0.71 -0.15 3.88 3.38 -0.17 0.36 115.31 122.86 3hx5 h LEU 25 Ca -0.01 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3hx5 h LEU 25 Cb 0.77 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hx5 h LEU 25 CO 0.02 0.18 -0.16 -0.61 0.09 0.00 0.00 178.44 177.96 3hx5 h GLN 26 N 0.65 0.37 -0.85 1.13 4.15 -1.13 -2.39 115.11 117.04 3hx5 h GLN 26 Ca 0.61 -0.20 0.07 0.00 0.77 0.00 0.00 58.65 59.90 3hx5 h GLN 26 Cb 1.10 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.74 3hx5 h GLN 26 CO -0.42 0.76 0.56 0.00 -1.93 0.00 0.00 178.83 177.80 3hx5 h ALA 27 N 0.60 1.57 -0.18 3.38 0.00 0.11 -0.99 119.26 123.76 3hx5 h ALA 27 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hx5 h ALA 27 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hx5 h ALA 27 CO 0.04 0.29 0.06 1.03 0.00 0.00 0.00 179.25 180.67 3hx5 h SER 28 N 0.94 0.25 -0.49 0.00 0.87 -0.35 -2.47 113.55 112.30 3hx5 h SER 28 Ca 0.37 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3hx5 h SER 28 Cb 0.23 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3hx5 h SER 28 CO -0.14 0.37 0.29 0.22 -0.53 0.00 0.00 176.83 177.04 3hx5 h TYR 29 N 0.12 0.54 -0.66 2.24 5.03 -0.81 -0.26 116.97 123.16 3hx5 h TYR 29 Ca 0.06 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.43 3hx5 h TYR 29 Cb 0.20 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.26 3hx5 h TYR 29 CO -0.01 0.31 0.39 1.15 -1.32 0.00 0.00 178.16 178.69 3hx5 h THR 30 N 0.58 1.03 -0.31 1.81 2.02 -1.12 -1.80 112.91 115.12 3hx5 h THR 30 Ca 0.20 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 3hx5 h THR 30 Cb 0.02 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3hx5 h THR 30 CO -0.09 0.14 -0.21 1.88 0.37 0.00 0.00 175.52 177.61 3hx5 h TYR 31 N 0.75 0.64 -0.22 3.16 0.05 -0.94 -1.75 116.97 118.66 3hx5 h TYR 31 Ca 0.28 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.95 3hx5 h TYR 31 Cb 0.10 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3hx5 h TYR 31 CO -0.06 0.74 0.08 1.25 -1.05 0.00 0.00 178.16 179.12 3hx5 h LEU 32 N 0.51 0.10 -0.44 3.88 5.85 -0.25 0.33 115.31 125.29 3hx5 h LEU 32 Ca 0.08 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3hx5 h LEU 32 Cb 0.64 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3hx5 h LEU 32 CO 0.05 0.09 0.22 -1.28 -0.34 0.00 0.00 178.44 177.17 3hx5 h SER 33 N 0.19 0.58 -0.26 1.25 0.87 -1.16 -2.16 113.55 112.86 3hx5 h SER 33 Ca 0.09 -0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 3hx5 h SER 33 Cb 0.05 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 3hx5 h SER 33 CO -0.09 0.53 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.63 3hx5 h LEU 34 N 0.57 -0.21 -0.27 2.23 3.38 -0.84 0.84 115.31 121.02 3hx5 h LEU 34 Ca 0.15 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3hx5 h LEU 34 Cb 0.11 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3hx5 h LEU 34 CO -0.02 -0.07 -0.02 1.23 0.09 0.00 0.00 178.44 179.65 3hx5 h GLY 35 N 0.02 0.24 2.00 0.83 0.00 0.06 -2.40 103.07 103.81 3hx5 h GLY 35 Ca 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3hx5 h GLY 35 CO -0.25 -0.07 -0.09 0.74 0.00 0.00 0.00 176.54 176.87 3hx5 h PHE 36 N 0.06 0.00 -0.38 5.60 -1.00 -1.13 -3.10 116.94 116.98 3hx5 h PHE 36 Ca 0.13 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 3hx5 h PHE 36 Cb 0.17 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 3hx5 h PHE 36 CO -0.22 0.09 0.14 -0.92 -1.61 0.00 0.00 178.31 175.80 3hx5 h TYR 37 N 0.00 0.59 0.00 -0.55 3.20 -0.34 -2.61 116.97 117.27 3hx5 h TYR 37 Ca -0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hx5 h TYR 37 Cb 0.88 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3hx5 h TYR 37 CO 0.00 0.54 0.00 1.19 -1.64 0.00 0.00 178.16 178.25 3hx5 n PHE 38 N -4.65 0.73 1.08 -3.82 3.72 -1.05 -2.13 117.46 111.35 3hx5 n PHE 38 Ca -0.00 0.27 0.13 0.00 -0.05 0.00 0.00 57.45 57.79 3hx5 n PHE 38 Cb 0.15 -0.94 0.42 0.00 -0.94 0.00 0.00 39.48 38.18 3hx5 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx5 n ASP 39 N -2.15 0.39 -4.77 4.37 4.64 -0.99 -1.84 116.55 116.20 3hx5 n ASP 39 Ca 0.03 -0.13 -0.40 0.00 -1.38 0.00 0.00 54.79 52.91 3hx5 n ASP 39 Cb 0.27 -0.02 0.01 0.00 -1.04 0.00 0.00 41.12 40.33 3hx5 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx5 s ARG 40 N -2.88 3.89 0.00 -0.67 0.52 -0.90 -4.71 118.95 114.20 3hx5 s ARG 40 Ca 0.16 2.43 0.07 0.00 -0.52 0.00 0.00 55.73 57.87 3hx5 s ARG 40 Cb 0.18 -2.79 0.30 0.00 0.52 0.00 0.00 34.95 33.17 3hx5 s ARG 40 CO 0.60 -0.66 1.22 -0.40 0.02 0.00 0.00 175.30 176.09 3hx5 n ASP 41 N 0.10 0.01 0.00 0.23 5.75 -1.26 -0.33 116.55 121.06 3hx5 n ASP 41 Ca 0.03 0.50 0.10 0.00 -0.01 0.00 0.00 54.79 55.42 3hx5 n ASP 41 Cb 0.41 -0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 39.92 3hx5 n ASP 41 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3hx5 n ASP 42 N -1.51 0.77 -0.08 -1.12 3.85 -1.26 -4.49 116.55 112.71 3hx5 n ASP 42 Ca 0.02 -0.70 -0.13 0.00 -0.71 0.00 0.00 54.79 53.26 3hx5 n ASP 42 Cb 0.08 1.03 -0.04 0.00 -1.35 0.00 0.00 41.12 40.84 3hx5 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx5 n VAL 43 N -1.65 1.37 -3.51 2.12 0.31 -0.66 -5.07 118.33 111.23 3hx5 n VAL 43 Ca 0.03 0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.17 3hx5 n VAL 43 Cb 0.37 -2.06 0.02 0.00 -0.91 0.00 0.00 33.84 31.27 3hx5 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx5 n ALA 44 N -4.17 -2.61 -3.54 3.52 0.00 0.56 -5.00 120.51 109.26 3hx5 n ALA 44 Ca -0.23 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 3hx5 n ALA 44 Cb 0.56 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 17.47 3hx5 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx5 s LEU 45 N -5.27 2.07 0.27 0.00 1.43 -0.77 -5.00 118.68 111.41 3hx5 s LEU 45 Ca 0.20 -2.94 -0.00 0.00 -1.03 0.00 0.00 54.13 50.36 3hx5 s LEU 45 Cb -0.07 -0.71 0.51 0.00 0.03 0.00 0.00 46.19 45.95 3hx5 s LEU 45 CO 0.83 -0.20 1.82 -0.08 0.23 0.00 0.00 176.35 178.96 3hx5 h GLU 46 N 6.06 0.88 -0.07 1.70 4.81 -1.95 -0.50 114.58 125.52 3hx5 h GLU 46 Ca 0.16 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hx5 h GLU 46 Cb 0.90 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3hx5 h GLU 46 CO 0.42 0.58 0.04 0.78 -0.73 0.00 0.00 179.01 180.10 3hx5 h GLY 47 N 0.91 0.10 0.94 1.92 0.00 -1.96 0.11 103.07 105.09 3hx5 h GLY 47 Ca 0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 3hx5 h GLY 47 CO -0.27 0.04 0.10 -2.08 0.00 0.00 0.00 176.54 174.33 3hx5 h VAL 48 N 0.01 1.10 -0.21 4.60 2.07 -1.88 0.03 116.25 121.97 3hx5 h VAL 48 Ca 0.02 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3hx5 h VAL 48 Cb 0.08 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3hx5 h VAL 48 CO -0.00 0.10 -0.15 -1.28 0.02 0.00 0.00 177.57 176.25 3hx5 h SER 49 N 0.19 -0.48 -0.82 0.57 0.87 -0.92 -1.06 113.55 111.90 3hx5 h SER 49 Ca 0.06 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3hx5 h SER 49 Cb 0.07 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3hx5 h SER 49 CO -0.01 -0.19 0.45 -0.74 -0.53 0.00 0.00 176.83 175.81 3hx5 h HIS 50 N -0.14 1.14 -0.24 2.24 6.17 -0.56 -2.06 115.15 121.70 3hx5 h HIS 50 Ca 0.12 -0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.23 3hx5 h HIS 50 Cb 0.33 -0.36 -0.05 0.00 2.52 0.00 0.00 27.41 29.85 3hx5 h HIS 50 CO -0.31 0.79 -0.07 0.35 0.71 0.00 0.00 177.93 179.41 3hx5 h PHE 51 N 1.16 -0.15 -0.36 5.26 3.57 0.26 -1.50 116.94 125.19 3hx5 h PHE 51 Ca 0.29 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.65 3hx5 h PHE 51 Cb 0.03 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3hx5 h PHE 51 CO 0.01 -0.11 -0.41 0.74 -2.23 0.00 0.00 178.31 176.31 3hx5 h PHE 52 N -0.01 1.06 -0.99 0.41 0.05 -1.12 -2.75 116.94 113.59 3hx5 h PHE 52 Ca 0.12 -0.32 0.07 0.00 3.82 0.00 0.00 57.97 61.66 3hx5 h PHE 52 Cb 0.19 -0.22 -0.07 0.00 2.00 0.00 0.00 35.95 37.85 3hx5 h PHE 52 CO -0.25 1.14 0.64 0.00 -0.18 0.00 0.00 178.31 179.65 3hx5 h ARG 53 N 0.72 1.11 -0.26 1.51 3.08 -1.01 0.22 114.38 119.75 3hx5 h ARG 53 Ca 0.05 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hx5 h ARG 53 Cb 0.99 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3hx5 h ARG 53 CO 0.10 0.73 0.16 0.93 -1.07 0.00 0.00 179.97 180.82 3hx5 h GLU 54 N 1.14 0.35 -0.80 0.04 5.08 -1.17 -2.12 114.58 117.11 3hx5 h GLU 54 Ca 0.44 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.82 3hx5 h GLU 54 Cb 0.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3hx5 h GLU 54 CO -0.18 0.27 0.52 -0.07 -1.00 0.00 0.00 179.01 178.55 3hx5 h LEU 55 N 0.33 0.81 -0.53 1.33 3.38 -0.64 0.28 115.31 120.27 3hx5 h LEU 55 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hx5 h LEU 55 Cb 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3hx5 h LEU 55 CO -0.02 0.54 0.33 0.00 0.09 0.00 0.00 178.44 179.38 3hx5 h ALA 56 N 1.55 0.67 -0.03 1.53 0.00 -0.09 -1.10 119.26 121.80 3hx5 h ALA 56 Ca 0.33 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3hx5 h ALA 56 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hx5 h ALA 56 CO -0.11 0.15 -0.40 1.49 0.00 0.00 0.00 179.25 180.39 3hx5 h GLU 57 N 0.71 0.05 -0.52 0.00 4.57 -0.53 -1.79 114.58 117.07 3hx5 h GLU 57 Ca 0.19 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.22 3hx5 h GLU 57 Cb -0.03 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3hx5 h GLU 57 CO -0.04 0.44 -0.17 0.93 -1.18 0.00 0.00 179.01 179.00 3hx5 h GLU 58 N 0.05 1.03 -0.03 1.92 5.08 -0.18 -1.08 114.58 121.36 3hx5 h GLU 58 Ca 0.00 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 3hx5 h GLU 58 Cb 0.72 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3hx5 h GLU 58 CO 0.05 1.10 -0.40 0.87 -1.00 0.00 0.00 179.01 179.63 3hx5 h LYS 59 N 0.90 0.07 -0.34 2.33 1.79 -0.83 -0.46 116.57 120.04 3hx5 h LYS 59 Ca 0.13 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3hx5 h LYS 59 Cb 0.74 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 3hx5 h LYS 59 CO 0.06 0.46 0.04 -0.09 -1.08 0.00 0.00 179.45 178.84 3hx5 h ARG 60 N 0.06 0.57 -0.50 3.15 2.43 -0.86 -1.19 114.38 118.03 3hx5 h ARG 60 Ca 0.00 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hx5 h ARG 60 Cb 0.74 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3hx5 h ARG 60 CO 0.06 0.66 0.24 0.93 -1.51 0.00 0.00 179.97 180.35 3hx5 h GLU 61 N 0.39 0.70 0.68 0.20 5.08 -0.68 -1.71 114.58 119.25 3hx5 h GLU 61 Ca 0.10 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3hx5 h GLU 61 Cb 0.38 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hx5 h GLU 61 CO 0.01 0.55 -0.33 0.78 -1.00 0.00 0.00 179.01 179.02 3hx5 h GLY 62 N 0.81 -0.96 2.00 -3.84 0.00 -0.23 -1.86 103.07 99.00 3hx5 h GLY 62 Ca 0.18 0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.77 3hx5 h GLY 62 CO -0.02 -0.35 -0.43 0.10 0.00 0.00 0.00 176.54 175.84 3hx5 h TYR 63 N -0.94 0.00 -0.57 5.60 -0.00 -1.10 -2.43 116.97 117.53 3hx5 h TYR 63 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.55 3hx5 h TYR 63 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.42 3hx5 h TYR 63 CO -0.02 0.43 0.02 0.93 -0.00 0.00 0.00 178.16 179.52 3hx5 h GLU 64 N 0.00 0.99 -0.58 0.10 5.08 -1.28 -0.66 114.58 118.23 3hx5 h GLU 64 Ca -0.00 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3hx5 h GLU 64 Cb 0.84 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3hx5 h GLU 64 CO 0.06 0.98 0.13 -0.09 -1.00 0.00 0.00 179.01 179.08 3hx5 h ARG 65 N 0.88 0.94 -0.61 2.33 2.43 -1.12 -0.44 114.38 118.78 3hx5 h ARG 65 Ca 0.16 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3hx5 h ARG 65 Cb 0.52 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3hx5 h ARG 65 CO 0.03 0.87 0.21 -0.07 -1.51 0.00 0.00 179.97 179.50 3hx5 h LEU 66 N 0.84 0.88 -1.13 3.80 3.38 -1.16 0.13 115.31 122.04 3hx5 h LEU 66 Ca 0.18 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3hx5 h LEU 66 Cb 0.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hx5 h LEU 66 CO 0.00 0.84 -0.32 -0.07 0.09 0.00 0.00 178.44 178.98 3hx5 h LEU 67 N 0.87 0.00 -0.03 1.67 3.38 -0.93 0.16 115.31 120.42 3hx5 h LEU 67 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3hx5 h LEU 67 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hx5 h LEU 67 CO -0.01 0.32 -0.07 0.50 0.09 0.00 0.00 178.44 179.27 3hx5 h LYS 68 N 0.00 0.10 -0.84 1.13 1.63 -0.38 -2.89 116.57 115.33 3hx5 h LYS 68 Ca -0.00 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 3hx5 h LYS 68 Cb 0.77 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.37 3hx5 h LYS 68 CO 0.04 0.67 0.54 1.98 -3.45 0.00 0.00 179.45 179.23 3hx5 h MET 69 N -0.44 1.03 0.01 1.90 4.05 -0.52 -2.60 114.93 118.36 3hx5 h MET 69 Ca -0.00 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3hx5 h MET 69 Cb 0.67 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3hx5 h MET 69 CO 0.02 0.68 -0.14 0.37 0.23 0.00 0.00 176.91 178.07 3hx5 h GLN 70 N 1.06 -0.23 0.00 0.39 5.75 -0.98 -2.16 115.11 118.94 3hx5 h GLN 70 Ca 0.33 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.81 3hx5 h GLN 70 Cb -0.02 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 3hx5 h GLN 70 CO -0.10 -0.15 -0.16 -0.91 -2.65 0.00 0.00 178.83 174.85 3hx5 h ASN 71 N -0.24 0.00 -0.26 -0.69 4.21 -1.28 -2.01 115.58 115.31 3hx5 h ASN 71 Ca 0.05 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.36 3hx5 h ASN 71 Cb 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 3hx5 h ASN 71 CO -0.13 0.16 -0.61 1.56 -1.29 0.00 0.00 177.43 177.13 3hx5 h GLN 72 N 0.00 0.86 0.00 0.81 4.20 -1.08 -3.19 115.11 116.72 3hx5 h GLN 72 Ca -0.00 -0.59 -0.07 0.00 0.06 0.00 0.00 58.65 58.05 3hx5 h GLN 72 Cb 0.29 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3hx5 h GLN 72 CO 0.02 1.21 -0.33 0.00 -0.67 0.00 0.00 178.83 179.06 3hx5 h ARG 73 N 0.64 0.00 0.00 1.46 2.47 -1.11 -3.47 114.38 114.37 3hx5 h ARG 73 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hx5 h ARG 73 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 3hx5 h ARG 73 CO 0.13 0.33 0.00 0.41 0.56 0.00 0.00 179.97 181.40 3hx5 n GLY 74 N -0.03 0.88 3.73 0.04 0.00 -1.05 -3.82 105.19 104.93 3hx5 n GLY 74 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3hx5 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx5 s GLY 75 N -0.53 1.62 -0.06 -0.02 0.00 -0.78 -4.54 107.32 103.01 3hx5 s GLY 75 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.92 3hx5 s GLY 75 CO 0.00 -0.09 -0.16 0.50 0.00 0.00 0.00 173.10 173.35 3hx5 s ARG 76 N -5.44 1.91 0.26 2.90 1.81 -1.26 -4.39 118.95 114.74 3hx5 s ARG 76 Ca 0.69 -0.55 -0.29 0.00 -1.72 0.00 0.00 55.73 53.86 3hx5 s ARG 76 Cb -0.11 -1.58 -0.09 0.00 -0.45 0.00 0.00 34.95 32.72 3hx5 s ARG 76 CO 0.55 0.13 0.99 0.00 -0.68 0.00 0.00 175.30 176.28 3hx5 s ALA 77 N 0.39 3.34 -0.06 2.13 0.00 -1.26 -4.99 121.76 121.30 3hx5 s ALA 77 Ca -0.11 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 3hx5 s ALA 77 Cb -0.14 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3hx5 s ALA 77 CO 0.04 0.10 0.01 -0.51 0.00 0.00 0.00 175.76 175.40 3hx5 s LEU 78 N -1.37 0.61 -0.01 0.00 1.43 -1.26 -5.15 118.68 112.93 3hx5 s LEU 78 Ca 0.43 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3hx5 s LEU 78 Cb -0.27 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 3hx5 s LEU 78 CO 0.34 -0.19 0.16 -0.36 0.23 0.00 0.00 176.35 176.53 3hx5 s PHE 79 N 1.82 3.48 0.25 0.29 0.08 -1.26 -4.86 117.98 117.78 3hx5 s PHE 79 Ca 0.02 0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.46 3hx5 s PHE 79 Cb -0.12 -1.81 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 3hx5 s PHE 79 CO -0.04 0.63 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.97 3hx5 s GLN 80 N -1.88 1.45 0.52 0.44 -1.52 -1.26 -5.11 119.66 112.29 3hx5 s GLN 80 Ca 0.26 -1.70 -0.20 0.00 -1.95 0.00 0.00 55.36 51.77 3hx5 s GLN 80 Cb -0.12 -1.09 -0.08 0.00 -0.22 0.00 0.00 33.01 31.49 3hx5 s GLN 80 CO 0.17 0.08 0.81 -0.25 -0.25 0.00 0.00 175.29 175.85 3hx5 n ASP 81 N -0.49 0.23 -4.55 5.90 10.43 -1.26 -4.94 116.55 121.87 3hx5 n ASP 81 Ca -0.06 0.86 -0.40 0.00 2.57 0.00 0.00 54.79 57.76 3hx5 n ASP 81 Cb 0.62 -1.29 -0.10 0.00 1.84 0.00 0.00 41.12 42.20 3hx5 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx5 s ILE 82 N -1.50 5.21 0.10 0.53 1.01 -1.26 -5.05 121.20 120.24 3hx5 s ILE 82 Ca 0.69 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 61.03 3hx5 s ILE 82 Cb -0.48 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 3hx5 s ILE 82 CO 0.53 -0.04 1.29 -0.54 0.00 0.00 0.00 174.94 176.18 3hx5 s LYS 83 N 1.92 4.38 0.89 2.79 1.02 -1.26 -5.00 119.74 124.48 3hx5 s LYS 83 Ca 0.10 1.92 -0.12 0.00 0.02 0.00 0.00 55.97 57.90 3hx5 s LYS 83 Cb -0.17 -3.29 0.10 0.00 -0.52 0.00 0.00 37.83 33.95 3hx5 s LYS 83 CO 0.11 -0.33 1.00 0.36 -0.92 0.00 0.00 175.35 175.57 3hx5 n LYS 84 N 3.84 -0.22 -1.66 1.68 2.85 -1.26 -4.89 118.16 118.50 3hx5 n LYS 84 Ca 0.10 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.97 3hx5 n LYS 84 Cb 0.44 -2.28 0.04 0.00 -0.65 0.00 0.00 35.03 32.58 3hx5 n LYS 84 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hx5 n PRO 85 N -3.37 1.30 0.00 -1.58 -0.02 -1.26 -4.85 135.00 125.22 3hx5 n PRO 85 Ca 0.11 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 3hx5 n PRO 85 Cb 0.52 -2.28 0.26 0.00 -0.02 0.00 0.00 33.50 31.98 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 n ALA 86 N -1.16 2.02 -3.04 3.55 0.00 -1.26 -4.76 120.51 115.87 3hx5 n ALA 86 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 3hx5 n ALA 86 Cb 0.44 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 3hx5 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx5 s GLU 87 N -2.00 1.13 -0.10 0.00 0.41 -1.26 -5.04 118.70 111.84 3hx5 s GLU 87 Ca 0.13 -0.76 0.08 0.00 -0.41 0.00 0.00 54.97 54.01 3hx5 s GLU 87 Cb 0.06 0.47 -0.12 0.00 -1.78 0.00 0.00 34.13 32.76 3hx5 s GLU 87 CO 0.10 -0.45 0.03 -0.25 -0.49 0.00 0.00 175.26 174.20 3hx5 n ASP 88 N -0.24 2.60 -4.16 -0.19 8.00 -1.26 -4.97 116.55 116.32 3hx5 n ASP 88 Ca -0.14 -0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.13 3hx5 n ASP 88 Cb 0.63 0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 42.28 3hx5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx5 s GLU 89 N -2.24 1.14 -0.19 -1.24 2.02 -1.26 -4.98 118.70 111.96 3hx5 s GLU 89 Ca -0.06 -0.71 0.14 0.00 0.02 0.00 0.00 54.97 54.36 3hx5 s GLU 89 Cb 0.03 -1.16 0.38 0.00 0.10 0.00 0.00 34.13 33.49 3hx5 s GLU 89 CO 0.40 0.30 1.22 0.91 0.02 0.00 0.00 175.26 178.10 3hx5 n TRP 90 N 2.20 0.09 0.00 1.61 7.02 -1.26 -5.09 117.44 122.01 3hx5 n TRP 90 Ca -0.16 -1.32 0.00 0.00 -1.02 0.00 0.00 57.50 55.00 3hx5 n TRP 90 Cb 0.54 -0.23 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 3hx5 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx5 n GLY 91 N -1.21 3.28 3.84 6.99 0.00 -1.26 -3.98 105.19 112.85 3hx5 n GLY 91 Ca 0.19 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 3hx5 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx5 s LYS 92 N 0.00 2.53 0.17 1.61 1.02 -1.26 -5.00 119.74 118.81 3hx5 s LYS 92 Ca 0.00 -1.51 -0.27 0.00 0.02 0.00 0.00 55.97 54.22 3hx5 s LYS 92 Cb 0.00 -2.33 0.02 0.00 -0.52 0.00 0.00 37.83 35.00 3hx5 s LYS 92 CO 0.00 -0.07 1.56 1.15 -0.92 0.00 0.00 175.35 177.07 3hx5 h THR 93 N 1.20 0.06 -0.92 2.17 2.02 -2.01 -1.91 112.91 113.52 3hx5 h THR 93 Ca -0.43 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.85 3hx5 h THR 93 Cb 1.26 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 3hx5 h THR 93 CO 0.60 0.00 0.57 -0.65 0.37 0.00 0.00 175.52 176.40 3hx5 h PRO 94 N -0.21 0.92 -0.44 6.66 0.11 -1.96 -1.72 132.00 135.35 3hx5 h PRO 94 Ca 0.17 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.23 3hx5 h PRO 94 Cb 0.55 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3hx5 h PRO 94 CO -0.72 0.61 0.29 -0.44 -0.21 0.00 0.00 178.00 177.53 3hx5 h ASP 95 N 0.94 0.51 -0.59 -2.05 3.45 -1.66 -0.30 116.42 116.72 3hx5 h ASP 95 Ca 0.44 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.85 3hx5 h ASP 95 Cb 0.37 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 3hx5 h ASP 95 CO -0.24 0.37 0.23 0.00 -1.57 0.00 0.00 179.24 178.03 3hx5 h ALA 96 N 1.16 0.77 -0.72 3.45 0.00 -0.92 -1.06 119.26 121.94 3hx5 h ALA 96 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hx5 h ALA 96 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3hx5 h ALA 96 CO -0.04 0.39 0.29 1.98 0.00 0.00 0.00 179.25 181.86 3hx5 h MET 97 N 0.82 1.07 -0.52 0.00 -1.53 -0.94 0.05 114.93 113.86 3hx5 h MET 97 Ca 0.20 -0.18 -0.03 0.00 -3.44 0.00 0.00 59.70 56.24 3hx5 h MET 97 Cb 0.21 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 3hx5 h MET 97 CO -0.01 0.87 0.20 0.87 0.14 0.00 0.00 176.91 178.98 3hx5 h LYS 98 N 1.04 0.79 -0.62 0.39 1.57 -0.56 0.36 116.57 119.54 3hx5 h LYS 98 Ca 0.24 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3hx5 h LYS 98 Cb 0.20 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3hx5 h LYS 98 CO -0.02 0.70 0.11 0.00 -0.57 0.00 0.00 179.45 179.67 3hx5 h ALA 99 N 1.05 1.03 -0.29 3.86 0.00 -0.70 0.07 119.26 124.29 3hx5 h ALA 99 Ca 0.17 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3hx5 h ALA 99 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hx5 h ALA 99 CO -0.01 0.62 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 3hx5 h ALA 100 N 1.18 0.41 -0.44 0.00 0.00 -0.53 -0.46 119.26 119.42 3hx5 h ALA 100 Ca 0.19 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3hx5 h ALA 100 Cb 0.39 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3hx5 h ALA 100 CO 0.01 0.29 0.10 1.98 0.00 0.00 0.00 179.25 181.63 3hx5 h MET 101 N 0.35 0.23 -0.08 0.00 -1.53 0.04 0.16 114.93 114.11 3hx5 h MET 101 Ca 0.07 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 3hx5 h MET 101 Cb 0.65 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.64 3hx5 h MET 101 CO 0.04 0.15 0.05 0.00 0.14 0.00 0.00 176.91 177.29 3hx5 h ALA 102 N 1.33 0.10 -0.89 0.39 0.00 -0.78 -1.67 119.26 117.74 3hx5 h ALA 102 Ca 0.21 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3hx5 h ALA 102 Cb 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3hx5 h ALA 102 CO -0.27 -0.39 0.58 1.25 0.00 0.00 0.00 179.25 180.42 3hx5 h LEU 103 N 0.09 0.90 -0.12 0.00 5.85 -0.39 -1.45 115.31 120.18 3hx5 h LEU 103 Ca 0.03 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3hx5 h LEU 103 Cb 0.02 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3hx5 h LEU 103 CO -0.01 0.59 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.24 3hx5 h GLU 104 N 1.03 0.29 -0.26 1.25 4.39 -0.71 -2.22 114.58 118.35 3hx5 h GLU 104 Ca 0.38 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 59.97 3hx5 h GLU 104 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3hx5 h GLU 104 CO -0.14 0.69 0.18 0.87 -1.16 0.00 0.00 179.01 179.45 3hx5 h LYS 105 N -0.09 0.15 -0.06 2.33 1.57 -0.87 0.21 116.57 119.80 3hx5 h LYS 105 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hx5 h LYS 105 Cb 0.63 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3hx5 h LYS 105 CO 0.03 0.10 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.77 3hx5 h LYS 106 N 0.15 0.12 -0.68 3.15 3.64 -1.12 -1.52 116.57 120.30 3hx5 h LYS 106 Ca 0.11 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3hx5 h LYS 106 Cb 0.27 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hx5 h LYS 106 CO -0.02 0.44 0.13 -0.07 -2.27 0.00 0.00 179.45 177.67 3hx5 h LEU 107 N -0.22 1.07 -0.64 5.20 3.38 -0.60 -1.29 115.31 122.22 3hx5 h LEU 107 Ca 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hx5 h LEU 107 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hx5 h LEU 107 CO 0.01 1.04 0.34 -1.13 0.09 0.00 0.00 178.44 178.79 3hx5 h ASN 108 N 1.05 0.80 0.01 -0.43 -1.24 -0.62 0.13 115.58 115.28 3hx5 h ASN 108 Ca 0.21 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 3hx5 h ASN 108 Cb 0.42 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3hx5 h ASN 108 CO 0.01 0.67 -0.00 -0.61 -1.29 0.00 0.00 177.43 176.21 3hx5 h GLN 109 N 0.87 -0.01 -0.74 6.67 5.75 -0.89 0.12 115.11 126.87 3hx5 h GLN 109 Ca 0.22 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.77 3hx5 h GLN 109 Cb 0.05 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3hx5 h GLN 109 CO -0.03 0.00 0.49 0.00 -2.65 0.00 0.00 178.83 176.64 3hx5 h ALA 110 N 0.97 1.63 -0.15 3.38 0.00 -0.88 0.22 119.26 124.43 3hx5 h ALA 110 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hx5 h ALA 110 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hx5 h ALA 110 CO 0.00 0.27 -0.00 -0.07 0.00 0.00 0.00 179.25 179.45 3hx5 h LEU 111 N 0.84 0.26 -0.67 0.00 3.38 -0.34 -1.09 115.31 117.68 3hx5 h LEU 111 Ca 0.31 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 111 Cb 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hx5 h LEU 111 CO -0.10 0.51 0.44 -0.07 0.09 0.00 0.00 178.44 179.31 3hx5 h LEU 112 N 0.01 0.75 -1.00 1.67 3.38 0.30 -0.81 115.31 119.61 3hx5 h LEU 112 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hx5 h LEU 112 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hx5 h LEU 112 CO 0.01 0.54 0.28 0.44 0.09 0.00 0.00 178.44 179.80 3hx5 h ASP 113 N 0.89 0.91 0.37 -0.43 3.45 -0.50 -0.96 116.42 120.15 3hx5 h ASP 113 Ca 0.25 -0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.47 3hx5 h ASP 113 Cb -0.08 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.44 3hx5 h ASP 113 CO -0.06 0.81 -0.48 0.25 -1.57 0.00 0.00 179.24 178.19 3hx5 h LEU 114 N 0.98 0.14 -0.24 1.55 5.85 -0.58 -2.20 115.31 120.81 3hx5 h LEU 114 Ca 0.23 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3hx5 h LEU 114 Cb 0.18 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3hx5 h LEU 114 CO -0.02 0.60 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.79 3hx5 h HIS 115 N 0.10 0.60 -0.74 1.25 2.76 -0.24 -1.74 115.15 117.14 3hx5 h HIS 115 Ca 0.00 -0.16 0.06 0.00 -2.20 0.00 0.00 60.37 58.07 3hx5 h HIS 115 Cb 0.89 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.65 3hx5 h HIS 115 CO 0.01 0.80 0.44 0.00 -1.30 0.00 0.00 177.93 177.88 3hx5 h ALA 116 N 0.70 1.01 -0.45 5.26 0.00 -1.05 -0.52 119.26 124.21 3hx5 h ALA 116 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3hx5 h ALA 116 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hx5 h ALA 116 CO 0.04 0.14 0.03 1.25 0.00 0.00 0.00 179.25 180.71 3hx5 h LEU 117 N 0.80 0.67 -0.65 0.00 5.85 -1.29 -1.35 115.31 119.34 3hx5 h LEU 117 Ca 0.33 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 3hx5 h LEU 117 Cb 0.18 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hx5 h LEU 117 CO -0.18 0.73 -0.31 1.23 -0.34 0.00 0.00 178.44 179.57 3hx5 h GLY 118 N 0.93 0.78 0.92 3.75 0.00 -0.34 -2.16 103.07 106.96 3hx5 h GLY 118 Ca 0.14 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3hx5 h GLY 118 CO 0.01 0.66 0.03 1.76 0.00 0.00 0.00 176.54 179.00 3hx5 h SER 119 N 0.61 0.61 -0.27 0.19 0.02 -0.75 -0.33 113.55 113.63 3hx5 h SER 119 Ca 0.07 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3hx5 h SER 119 Cb 0.83 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3hx5 h SER 119 CO 0.07 0.74 0.14 0.00 -1.14 0.00 0.00 176.83 176.65 3hx5 h ALA 120 N 0.89 1.68 -0.64 3.77 0.00 -1.07 -1.81 119.26 122.07 3hx5 h ALA 120 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hx5 h ALA 120 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hx5 h ALA 120 CO 0.01 0.27 0.00 0.54 0.00 0.00 0.00 179.25 180.07 3hx5 n ARG 121 N -4.43 3.94 -3.93 0.00 5.12 -0.83 -4.98 116.66 111.55 3hx5 n ARG 121 Ca 0.01 -2.95 -0.39 0.00 -1.93 0.00 0.00 57.85 52.59 3hx5 n ARG 121 Cb 0.12 -1.96 0.02 0.00 -1.16 0.00 0.00 32.46 29.48 3hx5 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx5 n THR 122 N 1.06 -3.88 -3.85 0.55 -2.24 -0.68 -4.95 114.28 100.29 3hx5 n THR 122 Ca 0.26 -0.74 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 3hx5 n THR 122 Cb 0.95 -3.05 -0.11 0.00 -2.10 0.00 0.00 70.33 66.01 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx5 s ASP 123 N -3.60 4.97 0.47 3.42 -1.08 -0.19 -4.95 116.67 115.72 3hx5 s ASP 123 Ca 0.44 -3.60 0.12 0.00 -0.52 0.00 0.00 52.55 48.99 3hx5 s ASP 123 Cb -0.20 -1.70 1.10 0.00 -1.46 0.00 0.00 42.92 40.65 3hx5 s ASP 123 CO 0.93 -0.15 2.11 1.55 0.52 0.00 0.00 175.17 180.13 3hx5 h PRO 124 N 5.84 0.23 0.13 4.34 0.13 -1.93 -2.84 132.00 137.90 3hx5 h PRO 124 Ca 0.09 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3hx5 h PRO 124 Cb 0.81 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hx5 h PRO 124 CO 0.74 0.15 -0.06 1.25 -0.23 0.00 0.00 178.00 179.84 3hx5 h HIS 125 N 0.23 -0.16 -1.00 1.56 2.76 -1.97 0.11 115.15 116.68 3hx5 h HIS 125 Ca 0.06 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3hx5 h HIS 125 Cb -0.02 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 28.94 3hx5 h HIS 125 CO -0.00 -0.08 0.66 1.25 -1.30 0.00 0.00 177.93 178.46 3hx5 h LEU 126 N -0.20 1.12 0.14 0.26 5.85 -1.92 0.32 115.31 120.88 3hx5 h LEU 126 Ca -0.02 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hx5 h LEU 126 Cb 0.15 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3hx5 h LEU 126 CO 0.03 0.78 -0.07 0.00 -0.34 0.00 0.00 178.44 178.84 3hx5 h ASP 128 N -0.23 -0.27 -0.66 0.00 3.58 -0.19 -0.01 116.42 118.64 3hx5 h ASP 128 Ca -0.02 0.06 0.13 0.00 0.42 0.00 0.00 57.03 57.62 3hx5 h ASP 128 Cb 0.18 0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.27 3hx5 h ASP 128 CO 0.03 -0.11 0.14 0.15 -2.88 0.00 0.00 179.24 176.57 3hx5 h PHE 129 N -0.09 0.22 -0.15 0.28 3.04 -0.20 0.17 116.94 120.22 3hx5 h PHE 129 Ca 0.08 0.04 -0.20 0.00 3.98 0.00 0.00 57.97 61.87 3hx5 h PHE 129 Cb 0.20 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3hx5 h PHE 129 CO -0.21 -0.06 -0.71 -0.07 -2.02 0.00 0.00 178.31 175.24 3hx5 h LEU 130 N 0.26 0.74 -0.62 0.59 3.38 -0.87 -2.00 115.31 116.79 3hx5 h LEU 130 Ca 0.36 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hx5 h LEU 130 Cb 0.57 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3hx5 h LEU 130 CO -0.46 1.23 0.32 -0.33 0.09 0.00 0.00 178.44 179.29 3hx5 h GLU 131 N 0.45 0.89 -0.03 1.13 5.08 0.01 -0.02 114.58 122.09 3hx5 h GLU 131 Ca -0.03 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3hx5 h GLU 131 Cb 1.30 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3hx5 h GLU 131 CO 0.14 0.70 -0.27 1.15 -1.00 0.00 0.00 179.01 179.73 3hx5 h THR 132 N 0.85 1.48 0.00 1.13 2.02 -0.69 -3.38 112.91 114.32 3hx5 h THR 132 Ca 0.22 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.58 3hx5 h THR 132 Cb 0.09 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3hx5 h THR 132 CO -0.03 0.50 -1.81 1.41 0.37 0.00 0.00 175.52 175.96 3hx5 n HIS 133 N -4.49 0.00 -0.03 3.16 8.25 -0.76 -4.86 115.22 116.49 3hx5 n HIS 133 Ca -0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.31 3hx5 n HIS 133 Cb 0.49 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3hx5 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx5 n PHE 134 N -2.14 0.00 0.00 4.41 3.72 -0.79 -4.66 117.46 118.00 3hx5 n PHE 134 Ca -0.05 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.29 3hx5 n PHE 134 Cb 0.50 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 3hx5 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx5 h LEU 135 N -0.14 -0.61 -1.55 4.37 3.38 -1.20 -1.47 115.31 118.09 3hx5 h LEU 135 Ca -0.15 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3hx5 h LEU 135 Cb 1.17 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 3hx5 h LEU 135 CO -0.07 -0.18 -0.18 -0.78 0.09 0.00 0.00 178.44 177.32 3hx5 h ASP 136 N -0.22 0.06 -0.46 -0.43 1.82 -1.84 -2.39 116.42 112.95 3hx5 h ASP 136 Ca 0.01 -0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 3hx5 h ASP 136 Cb 0.25 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 3hx5 h ASP 136 CO -0.15 0.25 0.27 -0.33 -1.61 0.00 0.00 179.24 177.67 3hx5 h GLU 137 N 0.06 0.52 0.14 0.28 4.39 -1.76 -1.61 114.58 116.60 3hx5 h GLU 137 Ca 0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3hx5 h GLU 137 Cb 0.36 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3hx5 h GLU 137 CO 0.02 0.34 -0.07 0.93 -1.16 0.00 0.00 179.01 179.08 3hx5 h GLU 138 N 0.54 -0.18 -0.51 2.33 4.39 -0.79 -1.89 114.58 118.47 3hx5 h GLU 138 Ca 0.19 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.00 3hx5 h GLU 138 Cb 0.03 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.63 3hx5 h GLU 138 CO -0.10 0.08 -0.10 0.28 -1.16 0.00 0.00 179.01 178.02 3hx5 h VAL 139 N -0.43 0.51 -0.27 3.13 2.07 -1.32 0.11 116.25 120.05 3hx5 h VAL 139 Ca -0.02 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3hx5 h VAL 139 Cb 0.34 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3hx5 h VAL 139 CO 0.03 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.87 3hx5 h LYS 140 N 0.03 0.28 0.06 1.57 1.57 -1.24 -0.74 116.57 118.10 3hx5 h LYS 140 Ca 0.25 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3hx5 h LYS 140 Cb 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3hx5 h LYS 140 CO -0.51 0.19 -0.09 1.25 -0.57 0.00 0.00 179.45 179.72 3hx5 h LEU 141 N 0.29 -0.24 -0.37 2.94 5.85 -0.43 0.05 115.31 123.40 3hx5 h LEU 141 Ca 0.11 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3hx5 h LEU 141 Cb 0.02 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3hx5 h LEU 141 CO -0.07 -0.13 0.04 0.40 -0.34 0.00 0.00 178.44 178.34 3hx5 h ILE 142 N -0.18 0.77 -0.61 4.05 2.04 -0.61 0.15 117.51 123.12 3hx5 h ILE 142 Ca 0.01 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3hx5 h ILE 142 Cb 0.19 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 3hx5 h ILE 142 CO -0.05 0.03 0.32 0.50 0.00 0.00 0.00 178.15 178.96 3hx5 h LYS 143 N 0.15 0.59 -0.38 2.37 1.63 -0.86 0.67 116.57 120.74 3hx5 h LYS 143 Ca 0.18 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3hx5 h LYS 143 Cb 0.23 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 3hx5 h LYS 143 CO -0.26 0.39 0.25 -0.22 -3.45 0.00 0.00 179.45 176.15 3hx5 h LYS 144 N 0.61 0.50 -0.72 1.90 3.64 0.87 -2.02 116.57 121.35 3hx5 h LYS 144 Ca 0.27 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3hx5 h LYS 144 Cb 0.18 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3hx5 h LYS 144 CO -0.18 0.33 0.29 0.52 -2.27 0.00 0.00 179.45 178.14 3hx5 h MET 145 N 0.51 1.07 -0.40 1.90 2.86 -0.04 -2.26 114.93 118.57 3hx5 h MET 145 Ca 0.14 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3hx5 h MET 145 Cb -0.06 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 3hx5 h MET 145 CO -0.03 0.86 0.25 0.78 1.06 0.00 0.00 176.91 179.84 3hx5 h GLY 146 N 1.10 0.57 0.89 8.32 0.00 -0.45 -1.38 103.07 112.12 3hx5 h GLY 146 Ca 0.24 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3hx5 h GLY 146 CO -0.02 0.18 0.56 -0.55 0.00 0.00 0.00 176.54 176.72 3hx5 h ASP 147 N 0.52 0.94 -0.52 0.19 3.32 -1.02 -0.85 116.42 119.00 3hx5 h ASP 147 Ca 0.15 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3hx5 h ASP 147 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3hx5 h ASP 147 CO -0.05 0.65 0.26 0.45 -1.72 0.00 0.00 179.24 178.83 3hx5 h HIS 148 N 1.10 0.75 -0.34 4.55 3.86 -0.93 -1.02 115.15 123.13 3hx5 h HIS 148 Ca 0.34 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 3hx5 h HIS 148 Cb -0.01 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 3hx5 h HIS 148 CO -0.02 0.58 0.20 -0.07 0.86 0.00 0.00 177.93 179.48 3hx5 h LEU 149 N 0.70 0.41 -1.15 2.43 3.38 -0.57 0.29 115.31 120.79 3hx5 h LEU 149 Ca 0.18 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3hx5 h LEU 149 Cb 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3hx5 h LEU 149 CO -0.02 0.35 0.58 0.74 0.09 0.00 0.00 178.44 180.17 3hx5 h THR 150 N 0.44 1.11 0.08 0.22 2.02 -0.92 -0.32 112.91 115.53 3hx5 h THR 150 Ca 0.12 -0.36 -0.29 0.00 0.77 0.00 0.00 66.41 66.65 3hx5 h THR 150 Cb 0.01 -0.05 0.03 0.00 -1.74 0.00 0.00 68.15 66.40 3hx5 h THR 150 CO -0.02 0.19 -1.18 0.78 0.37 0.00 0.00 175.52 175.66 3hx5 h ASN 151 N 1.06 0.90 -0.15 4.18 2.35 -0.66 -2.32 115.58 120.94 3hx5 h ASN 151 Ca 0.37 -0.79 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 3hx5 h ASN 151 Cb 0.11 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3hx5 h ASN 151 CO -0.12 1.59 0.07 -0.07 -1.65 0.00 0.00 177.43 177.24 3hx5 h LEU 152 N 0.32 0.20 -0.47 1.61 3.38 -0.11 -2.14 115.31 118.10 3hx5 h LEU 152 Ca -0.17 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3hx5 h LEU 152 Cb 1.85 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.50 3hx5 h LEU 152 CO 0.23 0.29 0.23 -0.74 0.09 0.00 0.00 178.44 178.54 3hx5 h HIS 153 N 0.10 0.42 -0.23 1.13 2.76 -1.15 -2.16 115.15 116.02 3hx5 h HIS 153 Ca 0.05 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3hx5 h HIS 153 Cb 0.14 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3hx5 h HIS 153 CO -0.02 0.21 0.16 -0.09 -1.30 0.00 0.00 177.93 176.89 3hx5 h ARG 154 N 0.46 0.19 -0.83 5.26 2.43 -1.17 -2.94 114.38 117.78 3hx5 h ARG 154 Ca 0.20 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3hx5 h ARG 154 Cb 0.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3hx5 h ARG 154 CO -0.15 0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.72 3hx5 n LEU 155 N -4.50 0.81 0.00 3.80 4.77 -0.81 -4.18 117.00 116.89 3hx5 n LEU 155 Ca 0.01 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3hx5 n LEU 155 Cb 0.16 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3hx5 n LEU 155 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3hx5 n GLY 156 N 0.43 0.70 0.00 -0.72 0.00 -1.11 -5.03 105.19 99.46 3hx5 n GLY 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx5 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 157 N 2.57 1.74 0.00 -0.02 0.00 -1.26 -5.22 105.19 103.01 3hx5 n GLY 157 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3hx5 n GLY 157 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77