#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hx6 s THR 2 N 0.00 4.84 -0.60 1.12 -4.23 -1.26 -5.04 115.64 110.47 2hx6 s THR 2 Ca 0.00 0.71 0.02 0.00 -1.18 0.00 0.00 61.69 61.24 2hx6 s THR 2 Cb 0.00 -3.66 0.39 0.00 1.34 0.00 0.00 72.50 70.57 2hx6 s THR 2 CO 0.00 0.02 1.46 -0.38 -0.54 0.00 0.00 174.62 175.18 2hx6 n ILE 3 N 0.15 2.84 0.00 2.99 5.41 -1.26 -4.94 119.36 124.54 2hx6 n ILE 3 Ca -0.01 -4.70 0.00 0.00 1.00 0.00 0.00 62.75 59.05 2hx6 n ILE 3 Cb 0.52 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 2hx6 n ILE 3 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2hx6 n ASN 4 N -0.50 0.00 0.23 4.38 4.13 -1.26 -2.33 115.26 119.91 2hx6 n ASN 4 Ca 0.45 0.08 -0.12 0.00 1.68 0.00 0.00 54.58 56.67 2hx6 n ASN 4 Cb 0.50 -0.08 -0.06 0.00 -1.54 0.00 0.00 39.78 38.59 2hx6 n ASN 4 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2hx6 h THR 5 N 0.00 0.22 0.00 3.41 2.02 -1.99 -2.38 112.91 114.19 2hx6 h THR 5 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2hx6 h THR 5 Cb 0.27 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2hx6 h THR 5 CO 0.00 0.04 0.00 -0.62 0.37 0.00 0.00 175.52 175.31 2hx6 n GLU 6 N -5.22 0.17 0.03 6.66 1.02 -0.98 -2.12 120.64 120.19 2hx6 n GLU 6 Ca -0.09 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.25 2hx6 n GLU 6 Cb 0.29 -1.77 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 2hx6 n GLU 6 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2hx6 h VAL 7 N 0.00 1.25 -0.25 2.62 -1.51 -1.66 -1.37 116.25 115.33 2hx6 h VAL 7 Ca 0.00 -2.99 -0.18 0.00 -1.23 0.00 0.00 66.70 62.30 2hx6 h VAL 7 Cb 0.46 2.67 -0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2hx6 h VAL 7 CO 0.00 0.76 -0.55 0.15 -1.23 0.00 0.00 177.57 176.70 2hx6 h PHE 8 N 0.02 0.94 -0.50 5.19 3.04 -1.00 0.22 116.94 124.84 2hx6 h PHE 8 Ca -0.17 -0.34 -0.00 0.00 3.98 0.00 0.00 57.97 61.44 2hx6 h PHE 8 Cb 1.92 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 40.23 2hx6 h PHE 8 CO 0.02 1.13 0.30 0.82 -2.02 0.00 0.00 178.31 178.55 2hx6 h ILE 9 N 0.57 1.16 -0.23 1.41 2.04 -1.49 -0.56 117.51 120.41 2hx6 h ILE 9 Ca 0.01 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2hx6 h ILE 9 Cb 1.14 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2hx6 h ILE 9 CO 0.12 0.16 0.13 0.03 0.00 0.00 0.00 178.15 178.59 2hx6 h ARG 10 N 0.67 0.32 -0.23 2.37 2.47 -0.84 0.30 114.38 119.45 2hx6 h ARG 10 Ca 0.18 -0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.93 2hx6 h ARG 10 Cb 0.01 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2hx6 h ARG 10 CO -0.03 0.29 0.21 0.00 0.56 0.00 0.00 179.97 180.99 2hx6 h ARG 11 N 0.27 0.00 0.01 0.04 3.08 -0.56 0.17 114.38 117.39 2hx6 h ARG 11 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2hx6 h ARG 11 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2hx6 h ARG 11 CO -0.01 0.00 -0.01 -0.91 -1.07 0.00 0.00 179.97 177.97 2hx6 h ASN 12 N 0.00 -0.01 -0.27 7.04 -0.26 -0.57 -0.31 115.58 121.20 2hx6 h ASN 12 Ca 0.11 -0.78 0.08 0.00 -0.56 0.00 0.00 56.30 55.15 2hx6 h ASN 12 Cb 0.53 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 2hx6 h ASN 12 CO -0.00 0.80 0.22 0.11 -1.06 0.00 0.00 177.43 177.50 2hx6 h LYS 13 N -0.85 0.00 -0.05 0.81 1.57 -0.83 0.81 116.57 118.03 2hx6 h LYS 13 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2hx6 h LYS 13 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2hx6 h LYS 13 CO 0.00 0.00 -0.28 1.25 -0.57 0.00 0.00 179.45 179.86 2hx6 h LEU 14 N 0.00 0.33 -1.38 2.94 7.12 -0.72 -1.02 115.31 122.58 2hx6 h LEU 14 Ca 0.13 -0.67 0.05 0.00 0.13 0.00 0.00 57.88 57.52 2hx6 h LEU 14 Cb 0.56 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 2hx6 h LEU 14 CO -0.00 0.94 0.46 0.08 -0.13 0.00 0.00 178.44 179.79 2hx6 h ARG 15 N -0.26 0.76 -0.60 1.25 0.11 0.63 0.72 114.38 116.99 2hx6 h ARG 15 Ca -0.02 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 2hx6 h ARG 15 Cb 0.94 -0.17 -0.03 0.00 1.11 0.00 0.00 29.97 31.82 2hx6 h ARG 15 CO 0.06 0.50 0.17 0.00 0.10 0.00 0.00 179.97 180.81 2hx6 h ARG 16 N 0.78 0.94 -0.18 0.08 3.08 -0.99 -2.14 114.38 115.96 2hx6 h ARG 16 Ca 0.29 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2hx6 h ARG 16 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2hx6 h ARG 16 CO -0.09 0.84 0.09 1.25 -1.07 0.00 0.00 179.97 180.99 2hx6 h HIS 17 N 0.86 0.25 0.32 3.04 2.76 0.26 0.18 115.15 122.82 2hx6 h HIS 17 Ca 0.19 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2hx6 h HIS 17 Cb 0.31 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 2hx6 h HIS 17 CO 0.02 0.27 -0.19 0.35 -1.30 0.00 0.00 177.93 177.08 2hx6 h PHE 18 N 0.16 -0.51 -0.11 5.26 3.04 0.31 -1.53 116.94 123.57 2hx6 h PHE 18 Ca 0.06 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.95 2hx6 h PHE 18 Cb 0.11 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 2hx6 h PHE 18 CO -0.03 -0.30 -0.16 1.49 -2.02 0.00 0.00 178.31 177.29 2hx6 h GLU 19 N -0.49 0.31 -0.52 1.11 4.81 -1.44 -1.37 114.58 116.98 2hx6 h GLU 19 Ca -0.03 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 2hx6 h GLU 19 Cb 0.41 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2hx6 h GLU 19 CO 0.04 0.75 -0.05 0.77 -0.73 0.00 0.00 179.01 179.78 2hx6 h SER 20 N -0.11 0.91 0.93 1.04 0.02 -0.68 -0.83 113.55 114.84 2hx6 h SER 20 Ca 0.01 -0.27 -0.16 0.00 -0.84 0.00 0.00 61.79 60.53 2hx6 h SER 20 Cb 0.72 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2hx6 h SER 20 CO 0.04 1.00 -0.78 -0.33 -1.14 0.00 0.00 176.83 175.62 2hx6 h GLU 21 N 0.85 0.00 -0.59 3.45 3.07 -1.42 -1.83 114.58 118.10 2hx6 h GLU 21 Ca 0.15 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 2hx6 h GLU 21 Cb 0.57 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.45 2hx6 h GLU 21 CO 0.03 0.78 0.25 0.74 -1.40 0.00 0.00 179.01 179.42 2hx6 h PHE 22 N 0.00 0.84 -0.24 4.33 0.04 -0.86 -0.05 116.94 121.00 2hx6 h PHE 22 Ca -0.01 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 2hx6 h PHE 22 Cb 1.46 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 2hx6 h PHE 22 CO 0.00 0.64 -0.31 0.00 -0.60 0.00 0.00 178.31 178.05 2hx6 h ARG 23 N 0.84 0.50 -0.33 1.51 -0.00 -1.12 0.13 114.38 115.90 2hx6 h ARG 23 Ca 0.20 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.98 59.45 2hx6 h ARG 23 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.08 2hx6 h ARG 23 CO -0.02 0.75 0.12 0.37 0.00 0.00 0.00 179.97 181.19 2hx6 h GLN 24 N 0.43 0.51 -0.13 0.04 4.15 -0.44 0.34 115.11 120.00 2hx6 h GLN 24 Ca 0.05 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 2hx6 h GLN 24 Cb 0.75 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.36 2hx6 h GLN 24 CO 0.06 0.52 -0.25 0.82 -1.93 0.00 0.00 178.83 178.05 2hx6 h ILE 25 N 0.39 1.37 0.00 2.39 2.04 -0.99 -0.87 117.51 121.84 2hx6 h ILE 25 Ca 0.11 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.40 2hx6 h ILE 25 Cb 0.21 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2hx6 h ILE 25 CO -0.01 0.44 -0.28 0.78 0.00 0.00 0.00 178.15 179.09 2hx6 h ASN 26 N -0.00 0.00 0.12 1.72 -0.26 -0.81 0.39 115.58 116.74 2hx6 h ASN 26 Ca 0.01 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.49 2hx6 h ASN 26 Cb 0.83 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.11 2hx6 h ASN 26 CO 0.06 0.28 -1.00 -1.13 -1.06 0.00 0.00 177.43 174.58 2hx6 h ASN 27 N 0.00 0.78 -0.23 5.81 -0.73 -0.38 -1.14 115.58 119.69 2hx6 h ASN 27 Ca -0.00 -0.62 -0.08 0.00 1.87 0.00 0.00 56.30 57.46 2hx6 h ASN 27 Cb 0.97 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 2hx6 h ASN 27 CO 0.04 1.42 -0.11 -0.08 -0.37 0.00 0.00 177.43 178.32 2hx6 h GLU 28 N 0.34 0.62 -0.17 6.67 4.57 -0.72 0.16 114.58 126.05 2hx6 h GLU 28 Ca -0.11 -0.19 -0.22 0.00 -1.18 0.00 0.00 59.36 57.66 2hx6 h GLU 28 Cb 1.65 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 30.19 2hx6 h GLU 28 CO 0.19 0.73 -0.74 -0.84 -1.18 0.00 0.00 179.01 177.17 2hx6 h ILE 29 N 0.57 1.28 -0.02 2.32 -0.00 -0.30 -1.65 117.51 119.71 2hx6 h ILE 29 Ca 0.10 -1.94 -0.17 0.00 -0.00 0.00 0.00 64.86 62.86 2hx6 h ILE 29 Cb 0.53 1.92 -0.02 0.00 -0.00 0.00 0.00 36.82 39.26 2hx6 h ILE 29 CO 0.03 0.62 -0.75 -0.09 -0.00 0.00 0.00 178.15 177.96 2hx6 h ARG 30 N 0.55 0.14 0.08 0.16 2.43 -1.20 -1.66 114.38 114.89 2hx6 h ARG 30 Ca -0.04 -0.13 -0.27 0.00 -0.81 0.00 0.00 59.98 58.73 2hx6 h ARG 30 Cb 1.36 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.96 2hx6 h ARG 30 CO 0.15 0.82 -1.14 1.05 -1.51 0.00 0.00 179.97 179.34 2hx6 h GLU 31 N 0.09 0.53 0.06 0.20 4.11 -0.73 -1.88 114.58 116.95 2hx6 h GLU 31 Ca -0.02 -0.67 -0.25 0.00 0.07 0.00 0.00 59.36 58.49 2hx6 h GLU 31 Cb 1.32 0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.79 2hx6 h GLU 31 CO 0.11 1.28 -1.08 0.00 0.07 0.00 0.00 179.01 179.39 2hx6 h ALA 32 N 0.47 0.22 -0.26 1.06 0.00 -1.40 0.16 119.26 119.51 2hx6 h ALA 32 Ca -0.14 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 2hx6 h ALA 32 Cb 1.81 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2hx6 h ALA 32 CO 0.21 0.82 -0.31 1.03 0.00 0.00 0.00 179.25 181.00 2hx6 h SER 33 N 0.21 0.56 -0.20 0.00 0.87 -1.38 0.83 113.55 114.44 2hx6 h SER 33 Ca -0.12 -0.22 -0.20 0.00 -1.23 0.00 0.00 61.79 60.03 2hx6 h SER 33 Cb 1.74 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2hx6 h SER 33 CO 0.19 0.84 -0.63 0.11 -0.53 0.00 0.00 176.83 176.81 2hx6 h LYS 34 N 0.47 0.81 0.00 2.24 1.57 -1.28 -2.89 116.57 117.49 2hx6 h LYS 34 Ca 0.06 -0.56 -0.12 0.00 -1.87 0.00 0.00 60.65 58.15 2hx6 h LYS 34 Cb 0.77 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2hx6 h LYS 34 CO 0.06 1.19 -0.58 0.00 -0.57 0.00 0.00 179.45 179.55 2hx6 h ALA 35 N 0.68 0.88 0.00 3.86 0.00 -0.54 -2.91 119.26 121.23 2hx6 h ALA 35 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2hx6 h ALA 35 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2hx6 h ALA 35 CO 0.13 0.72 0.00 0.00 0.00 0.00 0.00 179.25 180.11 2hx6 h ALA 36 N 1.42 1.00 0.00 0.00 0.00 0.60 -3.48 119.26 118.80 2hx6 h ALA 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hx6 h ALA 36 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2hx6 h ALA 36 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2hx6 n GLY 37 N 1.14 0.62 3.67 0.00 0.00 -1.10 -5.05 105.19 104.47 2hx6 n GLY 37 Ca 0.05 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2hx6 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hx6 s VAL 38 N -2.00 3.86 0.01 1.61 0.11 -1.14 -5.03 120.40 117.82 2hx6 s VAL 38 Ca 0.00 -1.17 -0.00 0.00 -2.93 0.00 0.00 61.98 57.88 2hx6 s VAL 38 Cb 0.00 -2.88 0.02 0.00 -1.53 0.00 0.00 36.38 31.99 2hx6 s VAL 38 CO 0.00 0.03 0.06 -1.20 -3.33 0.00 0.00 175.10 170.66 2hx6 n SER 39 N 0.31 -0.01 0.00 3.54 7.64 -1.26 -4.39 113.62 119.45 2hx6 n SER 39 Ca -0.11 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2hx6 n SER 39 Cb 0.53 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2hx6 n SER 39 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2hx6 n SER 40 N -3.84 -0.78 -4.53 6.43 3.41 -1.26 -4.87 113.62 108.18 2hx6 n SER 40 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.29 2hx6 n SER 40 Cb 0.03 0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 64.49 2hx6 n SER 40 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2hx6 s PHE 41 N -1.39 2.80 -0.46 7.33 -0.71 -1.26 -4.48 117.98 119.81 2hx6 s PHE 41 Ca 0.00 -0.08 -0.14 0.00 -1.04 0.00 0.00 56.93 55.67 2hx6 s PHE 41 Cb 0.00 -1.65 0.08 0.00 -1.21 0.00 0.00 43.02 40.24 2hx6 s PHE 41 CO 0.00 0.26 0.37 -1.01 -1.34 0.00 0.00 175.22 173.50 2hx6 s HIS 42 N -0.79 3.27 0.27 3.49 3.76 -0.88 -4.90 115.29 119.51 2hx6 s HIS 42 Ca 0.12 -1.14 0.07 0.00 -0.15 0.00 0.00 55.06 53.97 2hx6 s HIS 42 Cb -0.11 -3.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.38 2hx6 s HIS 42 CO 0.02 -0.83 0.23 -0.48 -0.85 0.00 0.00 174.74 172.82 2hx6 s LEU 43 N 1.57 3.78 0.06 0.89 2.34 -1.26 -1.60 118.68 124.47 2hx6 s LEU 43 Ca 0.04 -0.30 0.02 0.00 0.06 0.00 0.00 54.13 53.95 2hx6 s LEU 43 Cb -0.24 -2.34 -0.03 0.00 -0.56 0.00 0.00 46.19 43.02 2hx6 s LEU 43 CO 0.05 -0.11 -0.08 -0.75 -1.06 0.00 0.00 176.35 174.40 2hx6 s LYS 44 N -3.88 0.64 -0.12 1.48 2.20 -1.04 -4.90 119.74 114.12 2hx6 s LYS 44 Ca 0.35 -0.96 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2hx6 s LYS 44 Cb -0.07 -0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 35.93 2hx6 s LYS 44 CO 0.25 0.03 -0.03 1.52 -0.36 0.00 0.00 175.35 176.77 2hx6 s TYR 45 N -2.13 3.06 -0.14 4.03 1.13 -1.26 -2.78 117.35 119.26 2hx6 s TYR 45 Ca -0.02 -0.05 -0.04 0.00 -1.41 0.00 0.00 57.07 55.54 2hx6 s TYR 45 Cb -0.05 -1.86 -0.03 0.00 -1.10 0.00 0.00 41.96 38.92 2hx6 s TYR 45 CO -0.01 0.22 0.01 -1.12 -2.51 0.00 0.00 175.55 172.14 2hx6 s SER 46 N -0.30 5.26 0.03 -0.18 0.01 -1.26 -4.97 113.70 112.29 2hx6 s SER 46 Ca 0.05 0.04 0.28 0.00 1.31 0.00 0.00 55.95 57.64 2hx6 s SER 46 Cb -0.12 -1.75 1.11 0.00 0.21 0.00 0.00 66.02 65.47 2hx6 s SER 46 CO 0.02 0.24 1.86 0.00 0.41 0.00 0.00 173.24 175.78 2hx6 n GLN 47 N 3.04 0.04 -0.04 12.44 1.13 -1.26 -4.44 117.38 128.29 2hx6 n GLN 47 Ca -0.18 0.03 -0.12 0.00 -1.94 0.00 0.00 57.00 54.80 2hx6 n GLN 47 Cb 0.53 -1.55 -0.06 0.00 0.11 0.00 0.00 30.24 29.27 2hx6 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hx6 h ALA 48 N 2.92 0.17 -0.38 -1.58 0.00 -1.97 0.73 119.26 119.15 2hx6 h ALA 48 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2hx6 h ALA 48 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hx6 h ALA 48 CO 0.00 -0.16 0.05 1.37 0.00 0.00 0.00 179.25 180.51 2hx6 h LEU 49 N -0.02 0.53 -0.10 0.00 -0.00 -1.97 -1.38 115.31 112.38 2hx6 h LEU 49 Ca 0.04 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.72 2hx6 h LEU 49 Cb 0.31 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2hx6 h LEU 49 CO 0.00 0.57 -0.37 0.25 -0.00 0.00 0.00 178.44 178.89 2hx6 h LEU 50 N 0.56 0.50 -2.00 0.17 6.46 -1.77 -2.56 115.31 116.67 2hx6 h LEU 50 Ca 0.12 -0.62 0.12 0.00 -0.12 0.00 0.00 57.88 57.39 2hx6 h LEU 50 Cb 0.28 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2hx6 h LEU 50 CO 0.00 1.03 0.31 -0.78 -0.62 0.00 0.00 178.44 178.38 2hx6 h ASP 51 N -0.01 0.00 0.36 1.25 3.58 0.16 0.55 116.42 122.31 2hx6 h ASP 51 Ca -0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2hx6 h ASP 51 Cb 1.00 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2hx6 h ASP 51 CO 0.08 0.00 -0.17 -0.09 -2.88 0.00 0.00 179.24 176.18 2hx6 h ARG 52 N 0.00 -0.47 -0.03 0.28 2.43 -1.38 -3.05 114.38 112.17 2hx6 h ARG 52 Ca 0.20 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2hx6 h ARG 52 Cb 0.81 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2hx6 h ARG 52 CO -0.00 -0.15 -0.15 0.00 -1.51 0.00 0.00 179.97 178.17 2hx6 h ALA 53 N -0.49 1.71 -0.03 2.80 0.00 0.28 0.37 119.26 123.89 2hx6 h ALA 53 Ca -0.05 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.45 2hx6 h ALA 53 Cb 0.54 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.31 2hx6 h ALA 53 CO 0.08 0.22 -0.98 0.97 0.00 0.00 0.00 179.25 179.54 2hx6 h ILE 54 N 0.04 1.29 0.00 0.00 2.10 -0.41 -3.36 117.51 117.17 2hx6 h ILE 54 Ca 0.01 -2.20 -0.05 0.00 1.08 0.00 0.00 64.86 63.69 2hx6 h ILE 54 Cb 0.29 2.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.30 2hx6 h ILE 54 CO 0.02 0.68 -1.67 0.00 -1.08 0.00 0.00 178.15 176.11 2hx6 n GLN 55 N -3.86 0.79 -0.13 2.19 1.13 -1.11 -3.60 117.38 112.79 2hx6 n GLN 55 Ca -0.10 -0.09 0.04 0.00 -1.94 0.00 0.00 57.00 54.91 2hx6 n GLN 55 Cb 0.85 -1.32 0.11 0.00 0.11 0.00 0.00 30.24 29.99 2hx6 n GLN 55 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2hx6 n ARG 56 N -2.08 1.57 0.06 -1.09 3.00 0.13 -4.33 116.66 113.92 2hx6 n ARG 56 Ca -0.07 -0.88 0.00 0.00 -0.01 0.00 0.00 57.85 56.90 2hx6 n ARG 56 Cb 0.48 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.75 2hx6 n ARG 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2hx6 n GLU 57 N 0.21 0.00 -0.31 5.56 0.00 -1.26 -4.29 120.64 120.55 2hx6 n GLU 57 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.28 2hx6 n GLU 57 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.63 2hx6 n GLU 57 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2hx6 n ILE 58 N -2.79 -0.20 -3.82 3.84 -6.64 -1.24 -4.91 119.36 103.61 2hx6 n ILE 58 Ca 0.00 0.20 -0.27 0.00 -1.77 0.00 0.00 62.75 60.92 2hx6 n ILE 58 Cb 0.00 -0.31 -0.07 0.00 -1.44 0.00 0.00 39.64 37.82 2hx6 n ILE 58 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2hx6 n ASP 59 N -2.51 -0.19 -3.72 7.28 2.03 -1.26 -4.83 116.55 113.34 2hx6 n ASP 59 Ca -0.02 -0.94 -0.42 0.00 0.52 0.00 0.00 54.79 53.93 2hx6 n ASP 59 Cb 0.15 -1.19 -0.00 0.00 -0.72 0.00 0.00 41.12 39.36 2hx6 n ASP 59 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2hx6 n GLU 60 N -3.44 3.25 0.18 -0.67 0.00 -1.26 -4.58 120.64 114.12 2hx6 n GLU 60 Ca -0.10 -2.89 0.13 0.00 0.00 0.00 0.00 57.16 54.30 2hx6 n GLU 60 Cb 0.44 -3.10 0.27 0.00 0.00 0.00 0.00 31.44 29.05 2hx6 n GLU 60 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2hx6 h THR 61 N 3.76 0.00 -0.25 3.84 1.35 -1.97 -3.01 112.91 116.62 2hx6 h THR 61 Ca 0.55 -0.80 -0.07 0.00 -0.55 0.00 0.00 66.41 65.55 2hx6 h THR 61 Cb 0.59 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2hx6 h THR 61 CO 1.78 0.00 -0.13 0.22 -0.25 0.00 0.00 175.52 177.14 2hx6 h TYR 62 N 0.00 0.45 -0.26 4.73 3.20 -1.99 -1.31 116.97 121.78 2hx6 h TYR 62 Ca 0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2hx6 h TYR 62 Cb 0.89 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2hx6 h TYR 62 CO 0.00 0.54 0.17 -0.24 -1.64 0.00 0.00 178.16 176.99 2hx6 h VAL 63 N 0.39 1.07 -0.67 1.81 3.04 -1.91 -2.04 116.25 117.94 2hx6 h VAL 63 Ca 0.07 -0.13 -0.07 0.00 -1.01 0.00 0.00 66.70 65.57 2hx6 h VAL 63 Cb 0.46 0.69 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 2hx6 h VAL 63 CO 0.03 0.07 0.16 -0.26 -1.01 0.00 0.00 177.57 176.55 2hx6 h PHE 64 N 0.35 1.13 -0.32 3.17 0.04 -1.65 -2.15 116.94 117.51 2hx6 h PHE 64 Ca 0.09 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2hx6 h PHE 64 Cb -0.04 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.78 2hx6 h PHE 64 CO -0.06 0.93 0.04 1.49 -0.60 0.00 0.00 178.31 180.12 2hx6 h GLU 65 N 1.01 0.53 0.07 1.51 4.22 -0.76 0.29 114.58 121.45 2hx6 h GLU 65 Ca 0.21 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 2hx6 h GLU 65 Cb 0.37 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hx6 h GLU 65 CO 0.00 0.63 -0.03 1.25 -2.18 0.00 0.00 179.01 178.68 2hx6 h LEU 66 N 0.35 -0.08 -0.56 1.64 7.12 -1.46 -0.91 115.31 121.41 2hx6 h LEU 66 Ca 0.10 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.81 2hx6 h LEU 66 Cb 0.36 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2hx6 h LEU 66 CO 0.01 0.25 0.00 2.22 -0.13 0.00 0.00 178.44 180.79 2hx6 n PHE 67 N -4.98 0.84 0.14 1.25 1.16 -0.81 -0.54 117.46 114.52 2hx6 n PHE 67 Ca -0.08 0.31 0.01 0.00 -1.87 0.00 0.00 57.45 55.81 2hx6 n PHE 67 Cb 0.20 -1.00 0.12 0.00 -1.61 0.00 0.00 39.48 37.19 2hx6 n PHE 67 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2hx6 h HIS 68 N 0.00 0.00 0.00 2.97 3.86 -0.37 -1.76 115.15 119.86 2hx6 h HIS 68 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2hx6 h HIS 68 Cb 0.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2hx6 h HIS 68 CO 0.00 0.60 -0.32 0.87 0.86 0.00 0.00 177.93 179.94 2hx6 h LYS 69 N 0.00 0.00 0.00 2.45 1.79 0.65 -2.98 116.57 118.48 2hx6 h LYS 69 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2hx6 h LYS 69 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2hx6 h LYS 69 CO 0.08 0.32 0.00 -0.89 -1.08 0.00 0.00 179.45 177.88 2hx6 n ILE 70 N -3.73 0.87 0.59 1.86 5.41 -0.73 -3.57 119.36 120.06 2hx6 n ILE 70 Ca -0.01 0.22 0.12 0.00 1.00 0.00 0.00 62.75 64.08 2hx6 n ILE 70 Cb 0.42 -0.96 0.46 0.00 -0.71 0.00 0.00 39.64 38.85 2hx6 n ILE 70 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2hx6 n LYS 71 N -1.45 0.16 -0.01 0.38 2.85 -0.77 -2.74 118.16 116.57 2hx6 n LYS 71 Ca 0.04 0.26 -0.03 0.00 -1.05 0.00 0.00 58.31 57.53 2hx6 n LYS 71 Cb 0.17 -1.74 -0.12 0.00 -0.65 0.00 0.00 35.03 32.68 2hx6 n LYS 71 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2hx6 n ASP 72 N -2.04 0.63 0.00 -5.58 8.00 -1.23 -4.31 116.55 112.02 2hx6 n ASP 72 Ca 0.04 0.29 0.09 0.00 0.71 0.00 0.00 54.79 55.92 2hx6 n ASP 72 Cb 0.31 0.40 0.50 0.00 -0.02 0.00 0.00 41.12 42.31 2hx6 n ASP 72 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2hx6 n HIS 73 N -2.86 0.00 -0.13 1.24 -0.00 -1.11 -4.40 115.22 107.97 2hx6 n HIS 73 Ca -0.16 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.09 2hx6 n HIS 73 Cb 0.94 -0.05 0.13 0.00 -0.12 0.00 0.00 29.99 30.88 2hx6 n HIS 73 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2hx6 n VAL 74 N -1.05 -0.15 0.10 3.57 0.31 -1.26 -0.13 118.33 119.71 2hx6 n VAL 74 Ca 0.12 0.79 -0.05 0.00 -0.01 0.00 0.00 64.34 65.20 2hx6 n VAL 74 Cb 0.07 -1.18 0.08 0.00 -0.91 0.00 0.00 33.84 31.90 2hx6 n VAL 74 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2hx6 h LEU 75 N 0.00 0.13 -0.02 7.52 -0.00 -1.96 0.32 115.31 121.30 2hx6 h LEU 75 Ca 0.24 -0.09 -0.17 0.00 -0.00 0.00 0.00 57.88 57.85 2hx6 h LEU 75 Cb 0.53 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2hx6 h LEU 75 CO -0.33 0.81 -0.67 -0.33 -0.00 0.00 0.00 178.44 177.92 2hx6 h GLU 76 N 0.07 0.49 -0.04 1.13 5.08 -0.89 0.04 114.58 120.46 2hx6 h GLU 76 Ca -0.02 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 2hx6 h GLU 76 Cb 1.28 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2hx6 h GLU 76 CO 0.10 1.14 -0.50 -0.24 -1.00 0.00 0.00 179.01 178.51 2hx6 h VAL 77 N 0.04 1.35 -0.02 3.13 3.04 -1.45 -1.48 116.25 120.87 2hx6 h VAL 77 Ca -0.08 -1.72 -0.13 0.00 -1.01 0.00 0.00 66.70 63.76 2hx6 h VAL 77 Cb 1.36 1.88 -0.02 0.00 -2.01 0.00 0.00 31.29 32.50 2hx6 h VAL 77 CO 0.13 0.50 -0.60 0.78 -1.01 0.00 0.00 177.57 177.38 2hx6 h ASN 78 N 0.09 0.06 0.03 3.17 2.35 -0.93 0.25 115.58 120.61 2hx6 h ASN 78 Ca 0.00 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 2hx6 h ASN 78 Cb 0.91 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 2hx6 h ASN 78 CO 0.07 0.64 -0.37 -0.33 -1.65 0.00 0.00 177.43 175.79 2hx6 h GLU 79 N 0.04 0.45 0.00 0.81 4.39 -0.79 -2.93 114.58 116.56 2hx6 h GLU 79 Ca -0.01 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2hx6 h GLU 79 Cb 1.06 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2hx6 h GLU 79 CO 0.08 0.76 0.00 0.34 -1.16 0.00 0.00 179.01 179.03 2hx6 n PHE 80 N -4.05 0.00 -0.33 4.33 7.35 -0.57 -1.31 117.46 122.88 2hx6 n PHE 80 Ca -0.01 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.88 2hx6 n PHE 80 Cb 0.48 -0.22 0.40 0.00 0.35 0.00 0.00 39.48 40.49 2hx6 n PHE 80 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2hx6 h LEU 81 N 0.00 -0.15 0.00 -2.13 3.38 -0.32 -3.08 115.31 113.01 2hx6 h LEU 81 Ca 0.00 0.27 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 2hx6 h LEU 81 Cb 0.15 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2hx6 h LEU 81 CO 0.00 -0.37 -1.57 -0.24 0.09 0.00 0.00 178.44 176.35 2hx6 n SER 82 N -5.38 2.42 -4.37 -0.43 2.88 -1.22 -3.76 113.62 103.75 2hx6 n SER 82 Ca 0.28 0.01 -0.19 0.00 -1.33 0.00 0.00 58.87 57.64 2hx6 n SER 82 Cb 0.94 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 64.09 2hx6 n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hx6 s MET 83 N -2.20 1.45 0.02 -1.46 0.23 -1.16 -4.75 119.30 111.43 2hx6 s MET 83 Ca -0.14 -1.75 -0.30 0.00 -1.03 0.00 0.00 55.69 52.47 2hx6 s MET 83 Cb 0.04 -0.74 -0.08 0.00 -1.53 0.00 0.00 34.83 32.52 2hx6 s MET 83 CO 0.22 -0.11 1.95 -1.25 -2.03 0.00 0.00 175.02 173.80 2hx6 s PRO 84 N -3.86 4.09 0.00 3.16 0.04 -1.25 -3.82 135.00 133.36 2hx6 s PRO 84 Ca 0.31 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.90 2hx6 s PRO 84 Cb 0.06 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2hx6 s PRO 84 CO 0.11 -1.00 0.00 -2.30 0.04 0.00 0.00 177.00 173.85 2hx6 n PRO 85 N 7.57 0.00 0.00 0.56 -0.02 -0.43 -4.11 135.00 138.57 2hx6 n PRO 85 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2hx6 n PRO 85 Cb 0.41 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.41 2hx6 n PRO 85 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2hx6 n ARG 86 N -0.29 0.00 -4.26 -0.52 0.00 -1.26 -4.89 116.66 105.43 2hx6 n ARG 86 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2hx6 n ARG 86 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.36 2hx6 n ARG 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2hx6 s PRO 87 N 0.00 1.08 -0.01 2.89 0.05 -1.19 -4.57 135.00 133.25 2hx6 s PRO 87 Ca 0.00 -1.47 0.16 0.00 0.05 0.00 0.00 61.00 59.74 2hx6 s PRO 87 Cb 0.00 -0.63 -0.20 0.00 0.05 0.00 0.00 34.50 33.73 2hx6 s PRO 87 CO 0.00 0.06 0.56 -0.25 0.05 0.00 0.00 177.00 177.42 2hx6 n ASP 88 N -0.21 0.93 -4.03 6.66 9.92 -1.26 -4.71 116.55 123.85 2hx6 n ASP 88 Ca -0.10 -0.58 -0.31 0.00 -0.53 0.00 0.00 54.79 53.27 2hx6 n ASP 88 Cb 0.61 1.24 -0.16 0.00 -0.64 0.00 0.00 41.12 42.18 2hx6 n ASP 88 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2hx6 s ILE 89 N -2.68 1.84 -2.39 0.53 -0.00 -1.26 -4.95 121.20 112.28 2hx6 s ILE 89 Ca 0.02 -1.19 0.26 0.00 -0.00 0.00 0.00 60.65 59.73 2hx6 s ILE 89 Cb 0.11 -1.90 0.29 0.00 -0.00 0.00 0.00 42.46 40.96 2hx6 s ILE 89 CO 0.65 0.14 1.46 0.47 -0.00 0.00 0.00 174.94 177.66 2hx6 n ASP 90 N 4.60 1.90 -0.01 4.36 8.00 -1.26 -2.49 116.55 131.66 2hx6 n ASP 90 Ca -0.15 -1.51 0.11 0.00 0.71 0.00 0.00 54.79 53.95 2hx6 n ASP 90 Cb 0.46 0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 41.51 2hx6 n ASP 90 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2hx6 n GLU 91 N 0.28 0.56 0.00 -1.24 0.28 -1.26 -4.69 120.64 114.56 2hx6 n GLU 91 Ca 0.14 -0.17 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 2hx6 n GLU 91 Cb 0.44 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.79 2hx6 n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2hx6 n ASP 92 N -2.14 3.03 0.00 -1.84 2.03 -1.24 -4.95 116.55 111.44 2hx6 n ASP 92 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2hx6 n ASP 92 Cb 0.53 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 41.51 2hx6 n ASP 92 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2hx6 n PHE 93 N -0.96 0.00 -3.22 -0.67 3.72 -1.04 -5.09 117.46 110.21 2hx6 n PHE 93 Ca 0.00 -0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 2hx6 n PHE 93 Cb 0.03 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 2hx6 n PHE 93 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2hx6 s ILE 94 N -0.10 4.74 0.00 4.37 -4.36 -1.25 -4.91 121.20 119.68 2hx6 s ILE 94 Ca 0.00 1.29 0.00 0.00 -0.26 0.00 0.00 60.65 61.68 2hx6 s ILE 94 Cb 0.00 -3.94 0.00 0.00 1.25 0.00 0.00 42.46 39.77 2hx6 s ILE 94 CO 0.00 0.51 0.00 0.47 0.24 0.00 0.00 174.94 176.16 2hx6 n ASP 95 N 1.99 0.00 -0.60 4.36 8.00 -1.26 -4.79 116.55 124.24 2hx6 n ASP 95 Ca -0.09 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.54 2hx6 n ASP 95 Cb 0.51 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.81 2hx6 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hx6 n GLY 96 N 0.19 0.23 3.54 0.44 0.00 -1.26 -4.89 105.19 103.45 2hx6 n GLY 96 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2hx6 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hx6 s VAL 97 N -2.23 5.09 -0.61 1.61 1.01 -1.26 -4.80 120.40 119.21 2hx6 s VAL 97 Ca 0.27 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.48 2hx6 s VAL 97 Cb 0.20 -3.91 0.52 0.00 0.00 0.00 0.00 36.38 33.19 2hx6 s VAL 97 CO 0.43 -0.18 1.31 1.21 0.00 0.00 0.00 175.10 177.86 2hx6 n GLU 98 N 5.57 3.43 -3.02 2.72 2.13 -1.26 -4.91 120.64 125.29 2hx6 n GLU 98 Ca -0.07 -2.01 -0.22 0.00 0.66 0.00 0.00 57.16 55.52 2hx6 n GLU 98 Cb 0.49 -1.96 0.04 0.00 0.27 0.00 0.00 31.44 30.28 2hx6 n GLU 98 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2hx6 n TYR 99 N 0.43 -1.96 -4.11 4.31 4.01 -1.26 -5.05 117.16 113.54 2hx6 n TYR 99 Ca 0.18 0.53 -0.24 0.00 -0.16 0.00 0.00 57.90 58.21 2hx6 n TYR 99 Cb 0.83 -4.45 -0.07 0.00 -0.31 0.00 0.00 39.34 35.34 2hx6 n TYR 99 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2hx6 s ARG 100 N -5.70 2.27 1.34 -0.72 0.52 -1.26 -5.16 118.95 110.24 2hx6 s ARG 100 Ca 0.31 -1.73 -0.18 0.00 -0.52 0.00 0.00 55.73 53.60 2hx6 s ARG 100 Cb -0.14 -2.06 0.35 0.00 0.52 0.00 0.00 34.95 33.62 2hx6 s ARG 100 CO 0.38 -0.03 0.95 -2.14 0.02 0.00 0.00 175.30 174.48 2hx6 s PRO 101 N -3.88 -2.30 -0.02 3.54 0.02 -1.26 -4.94 135.00 126.17 2hx6 s PRO 101 Ca 0.40 0.48 0.01 0.00 0.02 0.00 0.00 61.00 61.91 2hx6 s PRO 101 Cb 0.01 -1.42 0.05 0.00 0.02 0.00 0.00 34.50 33.16 2hx6 s PRO 101 CO 0.23 -4.55 0.63 0.41 -0.33 0.00 0.00 177.00 173.39 2hx6 n GLY 102 N 1.43 1.65 3.07 0.52 0.00 -1.26 -4.61 105.19 105.99 2hx6 n GLY 102 Ca 0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2hx6 n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hx6 s ARG 103 N -1.03 0.72 0.10 1.61 0.52 -1.26 -4.38 118.95 115.23 2hx6 s ARG 103 Ca 0.04 -0.55 0.10 0.00 -0.52 0.00 0.00 55.73 54.80 2hx6 s ARG 103 Cb 0.03 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 2hx6 s ARG 103 CO 0.01 0.17 -0.26 -0.48 0.02 0.00 0.00 175.30 174.76 2hx6 s LEU 104 N -0.81 2.26 -0.11 2.53 0.05 -0.32 -5.00 118.68 117.30 2hx6 s LEU 104 Ca -0.00 -0.68 -0.00 0.00 0.05 0.00 0.00 54.13 53.49 2hx6 s LEU 104 Cb -0.06 -1.19 0.02 0.00 -2.05 0.00 0.00 46.19 42.91 2hx6 s LEU 104 CO 0.00 0.19 -0.07 -0.70 -0.55 0.00 0.00 176.35 175.23 2hx6 s GLU 105 N -1.74 1.42 -0.01 1.48 2.12 -1.26 -0.26 118.70 120.45 2hx6 s GLU 105 Ca 0.12 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.25 2hx6 s GLU 105 Cb -0.10 -1.50 -0.00 0.00 0.26 0.00 0.00 34.13 32.79 2hx6 s GLU 105 CO 0.04 -0.25 -0.06 0.96 -0.54 0.00 0.00 175.26 175.40 2hx6 s ILE 106 N 1.68 0.54 -0.11 -3.70 -4.36 0.41 -4.89 121.20 110.76 2hx6 s ILE 106 Ca 0.04 -0.26 0.03 0.00 -0.26 0.00 0.00 60.65 60.19 2hx6 s ILE 106 Cb -0.13 -0.48 -0.00 0.00 1.25 0.00 0.00 42.46 43.11 2hx6 s ILE 106 CO -0.07 0.17 -0.21 0.28 0.24 0.00 0.00 174.94 175.34 2hx6 s THR 107 N 0.02 2.29 0.18 8.37 -1.32 -1.26 -1.31 115.64 122.62 2hx6 s THR 107 Ca 0.00 -0.93 -0.04 0.00 -1.21 0.00 0.00 61.69 59.51 2hx6 s THR 107 Cb -0.05 -1.90 0.02 0.00 -1.51 0.00 0.00 72.50 69.06 2hx6 s THR 107 CO -0.00 0.55 0.31 -0.67 -2.21 0.00 0.00 174.62 172.60 2hx6 n ASP 108 N 3.61 -0.90 0.00 8.08 -0.08 -0.92 -4.46 116.55 121.88 2hx6 n ASP 108 Ca -0.19 -1.85 0.00 0.00 -1.51 0.00 0.00 54.79 51.24 2hx6 n ASP 108 Cb 0.53 1.56 0.00 0.00 2.34 0.00 0.00 41.12 45.54 2hx6 n ASP 108 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hx6 n GLY 109 N -0.27 2.01 0.00 0.27 0.00 -1.26 -0.50 105.19 105.44 2hx6 n GLY 109 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2hx6 n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hx6 n ASN 110 N 3.95 0.00 -4.74 1.61 5.03 -1.26 -5.08 115.26 114.77 2hx6 n ASN 110 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 2hx6 n ASN 110 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 2hx6 n ASN 110 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2hx6 s LEU 111 N 0.00 4.55 -0.54 3.41 1.02 0.34 -4.32 118.68 123.15 2hx6 s LEU 111 Ca 0.00 1.95 -0.19 0.00 0.02 0.00 0.00 54.13 55.91 2hx6 s LEU 111 Cb 0.00 -3.60 0.07 0.00 0.02 0.00 0.00 46.19 42.68 2hx6 s LEU 111 CO 0.00 -0.03 0.67 0.26 0.02 0.00 0.00 176.35 177.27 2hx6 s TRP 112 N -0.57 3.02 -0.17 0.29 0.52 0.05 -2.17 118.94 119.92 2hx6 s TRP 112 Ca 0.45 -0.69 -0.09 0.00 0.02 0.00 0.00 56.10 55.79 2hx6 s TRP 112 Cb -0.26 -3.74 -0.05 0.00 -1.15 0.00 0.00 33.47 28.27 2hx6 s TRP 112 CO 0.33 -1.15 0.13 -0.51 0.02 0.00 0.00 176.95 175.77 2hx6 s LEU 113 N 2.70 4.26 -0.04 2.99 2.01 -0.42 -2.22 118.68 127.95 2hx6 s LEU 113 Ca 0.14 0.31 0.01 0.00 0.01 0.00 0.00 54.13 54.60 2hx6 s LEU 113 Cb -0.21 -2.08 -0.03 0.00 0.01 0.00 0.00 46.19 43.88 2hx6 s LEU 113 CO 0.10 0.26 -0.06 -0.83 1.01 0.00 0.00 176.35 176.83 2hx6 s GLY 114 N -0.13 1.73 -0.04 -3.19 0.00 0.21 -0.45 107.32 105.45 2hx6 s GLY 114 Ca 0.10 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.93 2hx6 s GLY 114 CO 0.00 -0.73 -0.13 -1.36 0.00 0.00 0.00 173.10 170.88 2hx6 s PHE 115 N -0.89 1.35 -0.01 1.90 0.40 0.64 0.78 117.98 122.14 2hx6 s PHE 115 Ca 0.14 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 2hx6 s PHE 115 Cb -0.11 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.47 2hx6 s PHE 115 CO 0.04 -0.17 -0.07 0.95 0.70 0.00 0.00 175.22 176.67 2hx6 s THR 116 N 0.28 0.57 0.24 0.64 -4.23 -1.13 -1.17 115.64 110.85 2hx6 s THR 116 Ca -0.07 -0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 2hx6 s THR 116 Cb -0.12 -0.50 -0.06 0.00 1.34 0.00 0.00 72.50 73.16 2hx6 s THR 116 CO 0.02 0.18 0.53 0.54 -0.54 0.00 0.00 174.62 175.34 2hx6 s VAL 117 N 0.07 5.00 -0.58 2.29 0.11 -1.26 0.63 120.40 126.67 2hx6 s VAL 117 Ca -0.01 0.26 -0.26 0.00 -2.93 0.00 0.00 61.98 59.04 2hx6 s VAL 117 Cb -0.06 -3.66 -0.09 0.00 -1.53 0.00 0.00 36.38 31.04 2hx6 s VAL 117 CO -0.00 -0.15 2.43 0.00 -3.33 0.00 0.00 175.10 174.05 2hx6 n LYS 119 N 8.90 -1.58 -1.36 0.00 2.85 -1.26 -4.68 118.16 121.03 2hx6 n LYS 119 Ca 0.41 1.51 -0.54 0.00 -1.05 0.00 0.00 58.31 58.64 2hx6 n LYS 119 Cb 0.50 -2.68 -0.10 0.00 -0.65 0.00 0.00 35.03 32.10 2hx6 n LYS 119 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2hx6 n PRO 120 N 0.66 0.49 -3.57 -1.58 -0.02 -1.20 -4.95 135.00 124.83 2hx6 n PRO 120 Ca -0.01 0.12 -0.17 0.00 -2.02 0.00 0.00 63.50 61.43 2hx6 n PRO 120 Cb 0.43 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 2hx6 n PRO 120 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hx6 s ASN 121 N 7.00 -0.57 -0.29 2.55 6.03 -1.26 -4.98 114.94 123.42 2hx6 s ASN 121 Ca 1.16 0.61 -0.01 0.00 -1.03 0.00 0.00 52.86 53.59 2hx6 s ASN 121 Cb -1.16 0.51 0.13 0.00 -3.03 0.00 0.00 41.25 37.70 2hx6 s ASN 121 CO 0.56 -0.57 0.28 -0.70 -2.03 0.00 0.00 177.10 174.64 2hx6 s GLU 122 N -1.18 0.31 0.00 3.55 2.12 -1.26 -4.46 118.70 117.77 2hx6 s GLU 122 Ca -0.11 -0.16 0.13 0.00 0.36 0.00 0.00 54.97 55.19 2hx6 s GLU 122 Cb -0.01 -0.72 -0.07 0.00 0.26 0.00 0.00 34.13 33.59 2hx6 s GLU 122 CO 0.09 -1.01 0.64 1.63 -0.54 0.00 0.00 175.26 176.07 2hx6 n LYS 123 N 5.31 2.35 -3.89 4.30 4.01 -1.26 -3.19 118.16 125.78 2hx6 n LYS 123 Ca -0.03 -0.35 -0.09 0.00 -0.51 0.00 0.00 58.31 57.33 2hx6 n LYS 123 Cb 0.46 -1.14 -0.00 0.00 -0.51 0.00 0.00 35.03 33.83 2hx6 n LYS 123 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2hx6 s PHE 124 N -1.93 0.25 -0.24 2.13 0.08 -1.26 -4.98 117.98 112.03 2hx6 s PHE 124 Ca 0.08 -0.77 -0.04 0.00 0.12 0.00 0.00 56.93 56.32 2hx6 s PHE 124 Cb 0.10 0.58 0.08 0.00 -0.57 0.00 0.00 43.02 43.21 2hx6 s PHE 124 CO 0.43 -1.37 0.10 0.15 -0.10 0.00 0.00 175.22 174.43 2hx6 s LYS 125 N -2.95 0.27 0.00 0.44 3.01 -1.26 -3.42 119.74 115.83 2hx6 s LYS 125 Ca 0.18 -0.42 0.00 0.00 -1.01 0.00 0.00 55.97 54.72 2hx6 s LYS 125 Cb -0.04 -1.63 0.00 0.00 -1.01 0.00 0.00 37.83 35.15 2hx6 s LYS 125 CO 0.12 -0.84 0.00 -3.47 0.51 0.00 0.00 175.35 171.67 2hx6 n ASP 126 N 5.19 0.00 -3.32 2.83 2.03 -1.26 -4.72 116.55 117.30 2hx6 n ASP 126 Ca -0.06 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.08 2hx6 n ASP 126 Cb 0.45 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.01 2hx6 n ASP 126 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2hx6 n PRO 127 N 0.00 -2.20 -4.01 -0.67 -0.02 -1.25 -4.45 135.00 122.40 2hx6 n PRO 127 Ca 0.00 -0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 60.41 2hx6 n PRO 127 Cb 0.00 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 2hx6 n PRO 127 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hx6 s SER 128 N -2.24 5.86 -0.18 2.55 0.15 -1.26 -2.08 113.70 116.50 2hx6 s SER 128 Ca 0.36 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 2hx6 s SER 128 Cb -0.06 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 2hx6 s SER 128 CO 0.30 0.12 0.09 -0.76 1.20 0.00 0.00 173.24 174.19 2hx6 s LEU 129 N -2.78 3.98 -0.30 3.45 1.43 -0.62 0.55 118.68 124.37 2hx6 s LEU 129 Ca 0.32 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2hx6 s LEU 129 Cb -0.12 -2.01 0.23 0.00 0.03 0.00 0.00 46.19 44.33 2hx6 s LEU 129 CO 0.25 0.20 1.93 1.67 0.23 0.00 0.00 176.35 180.63 2hx6 n GLN 130 N 3.39 1.77 0.00 1.70 7.27 0.21 -2.49 117.38 129.24 2hx6 n GLN 130 Ca -0.17 -1.55 0.00 0.00 0.07 0.00 0.00 57.00 55.36 2hx6 n GLN 130 Cb 0.52 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.57 2hx6 n GLN 130 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2hx6 s ARG 132 N -4.65 3.65 -0.29 0.00 0.52 -1.26 -2.82 118.95 114.11 2hx6 s ARG 132 Ca 0.00 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 2hx6 s ARG 132 Cb 0.00 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 2hx6 s ARG 132 CO 0.00 -0.08 0.50 1.41 0.02 0.00 0.00 175.30 177.15 2hx6 s MET 133 N 1.30 3.95 -0.19 3.54 1.75 0.23 -4.83 119.30 125.04 2hx6 s MET 133 Ca 0.04 0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.66 2hx6 s MET 133 Cb -0.15 -3.69 0.04 0.00 2.84 0.00 0.00 34.83 33.87 2hx6 s MET 133 CO 0.02 -0.42 -0.10 0.00 -0.65 0.00 0.00 175.02 173.87 2hx6 s ALA 134 N 2.31 1.95 0.02 4.11 0.00 -1.26 0.65 121.76 129.54 2hx6 s ALA 134 Ca 0.20 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2hx6 s ALA 134 Cb -0.16 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 2hx6 s ALA 134 CO 0.10 -0.79 -0.02 0.42 0.00 0.00 0.00 175.76 175.47 2hx6 s ILE 135 N 1.42 0.09 0.35 0.00 1.01 -0.94 -4.69 121.20 118.44 2hx6 s ILE 135 Ca -0.01 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.91 2hx6 s ILE 135 Cb -0.16 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 2hx6 s ILE 135 CO -0.08 -0.43 0.18 -0.38 0.00 0.00 0.00 174.94 174.23 2hx6 n ILE 136 N 1.81 0.00 -3.66 2.92 5.41 -1.26 -0.77 119.36 123.81 2hx6 n ILE 136 Ca -0.22 -2.19 -0.13 0.00 1.00 0.00 0.00 62.75 61.21 2hx6 n ILE 136 Cb 0.56 0.90 -0.08 0.00 -0.71 0.00 0.00 39.64 40.30 2hx6 n ILE 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2hx6 s ASN 137 N -3.23 -0.67 0.00 4.38 4.22 -1.26 -4.85 114.94 113.53 2hx6 s ASN 137 Ca 0.25 1.26 0.00 0.00 -2.14 0.00 0.00 52.86 52.23 2hx6 s ASN 137 Cb 0.01 1.26 0.00 0.00 1.28 0.00 0.00 41.25 43.80 2hx6 s ASN 137 CO 0.18 -0.22 0.00 -0.24 -2.04 0.00 0.00 177.10 174.78 2hx6 n SER 138 N 2.95 0.00 -0.00 3.54 2.88 -0.83 -4.69 113.62 117.46 2hx6 n SER 138 Ca -0.15 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2hx6 n SER 138 Cb 0.56 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2hx6 n SER 138 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2hx6 n ARG 139 N 0.00 0.02 -0.16 -1.46 0.00 -1.26 -4.68 116.66 109.13 2hx6 n ARG 139 Ca 0.00 0.01 0.05 0.00 -0.00 0.00 0.00 57.85 57.91 2hx6 n ARG 139 Cb 0.00 -0.46 0.14 0.00 -0.00 0.00 0.00 32.46 32.14 2hx6 n ARG 139 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2hx6 n ARG 140 N -2.59 2.87 -2.27 2.89 1.85 -1.26 -5.07 116.66 113.07 2hx6 n ARG 140 Ca -0.01 -2.00 -0.28 0.00 -1.00 0.00 0.00 57.85 54.57 2hx6 n ARG 140 Cb 0.02 -1.24 0.03 0.00 -1.05 0.00 0.00 32.46 30.22 2hx6 n ARG 140 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2hx6 s LEU 141 N -1.00 3.21 0.54 2.89 2.01 -1.26 -4.81 118.68 120.26 2hx6 s LEU 141 Ca 0.21 0.89 0.26 0.00 0.01 0.00 0.00 54.13 55.50 2hx6 s LEU 141 Cb 0.11 -3.75 1.42 0.00 0.01 0.00 0.00 46.19 43.98 2hx6 s LEU 141 CO 0.14 -1.04 1.99 -0.65 1.01 0.00 0.00 176.35 177.80 2hx6 h PRO 142 N -0.24 0.00 0.00 1.29 0.11 -1.89 -3.44 132.00 127.83 2hx6 h PRO 142 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2hx6 h PRO 142 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2hx6 h PRO 142 CO 0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.82 2hx6 n GLY 143 N -1.63 2.25 2.97 -0.55 0.00 -1.26 -5.08 105.19 101.87 2hx6 n GLY 143 Ca 0.10 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2hx6 n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hx6 s LYS 144 N -0.70 0.49 -0.09 1.61 2.20 -1.26 -1.96 119.74 120.03 2hx6 s LYS 144 Ca 0.00 -0.20 -0.31 0.00 -0.36 0.00 0.00 55.97 55.10 2hx6 s LYS 144 Cb 0.00 -0.48 0.11 0.00 -1.51 0.00 0.00 37.83 35.95 2hx6 s LYS 144 CO 0.00 0.12 1.38 0.00 -0.36 0.00 0.00 175.35 176.48 2hx6 s ALA 145 N -0.09 -2.75 0.00 3.13 0.00 -1.26 -5.04 121.76 115.75 2hx6 s ALA 145 Ca 0.02 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2hx6 s ALA 145 Cb -0.03 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2hx6 s ALA 145 CO -0.00 -1.17 0.00 -1.13 0.00 0.00 0.00 175.76 173.46 2hx6 n SER 146 N -0.94 0.00 -2.94 0.00 3.41 -1.26 -4.90 113.62 106.98 2hx6 n SER 146 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.66 2hx6 n SER 146 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2hx6 n SER 146 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2hx6 s LYS 147 N -0.06 0.47 -0.05 4.33 2.47 -1.26 -5.15 119.74 120.49 2hx6 s LYS 147 Ca 0.00 -0.19 -0.31 0.00 -1.56 0.00 0.00 55.97 53.91 2hx6 s LYS 147 Cb 0.00 0.05 0.13 0.00 -1.46 0.00 0.00 37.83 36.55 2hx6 s LYS 147 CO 0.00 -0.68 1.36 0.00 0.16 0.00 0.00 175.35 176.19 2hx6 s ALA 148 N 1.83 -2.38 0.13 3.13 0.00 -1.26 -5.06 121.76 118.15 2hx6 s ALA 148 Ca 0.16 0.77 0.10 0.00 0.00 0.00 0.00 51.96 52.99 2hx6 s ALA 148 Cb 0.01 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2hx6 s ALA 148 CO -0.11 -1.06 -0.21 0.14 0.00 0.00 0.00 175.76 174.52 2hx6 s VAL 149 N -2.22 2.64 0.05 0.00 -7.23 -1.26 -4.67 120.40 107.70 2hx6 s VAL 149 Ca 0.16 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 2hx6 s VAL 149 Cb 0.06 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 2hx6 s VAL 149 CO -0.05 0.07 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.04 2hx6 s ILE 150 N -1.20 1.05 0.42 -0.62 -1.09 -1.26 -4.33 121.20 114.17 2hx6 s ILE 150 Ca 0.17 -1.06 -0.22 0.00 -2.23 0.00 0.00 60.65 57.31 2hx6 s ILE 150 Cb -0.10 -0.98 -0.10 0.00 -1.58 0.00 0.00 42.46 39.70 2hx6 s ILE 150 CO 0.09 -0.08 0.97 -0.54 -1.23 0.00 0.00 174.94 174.15 2hx6 s LYS 151 N -1.30 4.20 -0.81 2.79 -0.14 -1.26 -4.99 119.74 118.23 2hx6 s LYS 151 Ca -0.00 1.21 -0.26 0.00 -1.36 0.00 0.00 55.97 55.56 2hx6 s LYS 151 Cb -0.08 -2.27 0.03 0.00 -1.68 0.00 0.00 37.83 33.83 2hx6 s LYS 151 CO 0.01 -0.06 1.36 -0.08 -0.76 0.00 0.00 175.35 175.83 2hx6 s THR 152 N -2.04 3.75 -2.02 2.17 -1.32 -1.26 -4.91 115.64 110.01 2hx6 s THR 152 Ca 0.61 0.08 0.32 0.00 -1.21 0.00 0.00 61.69 61.49 2hx6 s THR 152 Cb -0.12 -4.90 0.90 0.00 -1.51 0.00 0.00 72.50 66.87 2hx6 s THR 152 CO 0.16 -1.82 2.21 1.67 -2.21 0.00 0.00 174.62 174.63