#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6pax s HIS 2 N 0.00 -0.56 0.55 7.33 -3.43 -1.26 -5.14 115.29 112.77 6pax s HIS 2 Ca 0.00 0.95 -0.16 0.00 -0.80 0.00 0.00 55.06 55.05 6pax s HIS 2 Cb 0.00 0.35 -0.06 0.00 -1.43 0.00 0.00 32.58 31.44 6pax s HIS 2 CO 0.00 -0.57 1.02 -1.12 -2.00 0.00 0.00 174.74 172.07 6pax s SER 3 N -1.23 6.26 0.33 7.38 0.01 -1.26 -4.17 113.70 121.02 6pax s SER 3 Ca -0.11 1.69 -0.02 0.00 1.31 0.00 0.00 55.95 58.81 6pax s SER 3 Cb -0.01 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 6pax s SER 3 CO 0.09 -0.84 0.45 -0.83 0.41 0.00 0.00 173.24 172.52 6pax s GLY 4 N -2.90 1.50 -0.04 3.44 0.00 0.24 -4.96 107.32 104.60 6pax s GLY 4 Ca 0.61 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.85 6pax s GLY 4 CO 0.33 -1.03 -0.20 0.14 0.00 0.00 0.00 173.10 172.35 6pax s VAL 5 N -3.16 2.60 0.59 1.40 1.01 -1.26 -1.14 120.40 120.45 6pax s VAL 5 Ca 0.31 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.45 6pax s VAL 5 Cb -0.00 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.49 6pax s VAL 5 CO 0.20 0.58 0.81 0.54 0.00 0.00 0.00 175.10 177.24 6pax s ASN 6 N -0.61 4.99 0.00 3.32 2.20 0.12 -4.91 114.94 120.04 6pax s ASN 6 Ca 0.09 -0.56 0.00 0.00 -0.94 0.00 0.00 52.86 51.45 6pax s ASN 6 Cb -0.11 -0.06 0.00 0.00 -2.00 0.00 0.00 41.25 39.08 6pax s ASN 6 CO 0.00 -1.38 0.78 0.00 -2.94 0.00 0.00 177.10 173.56 6pax n GLN 7 N -2.36 0.00 0.00 3.55 6.02 -1.26 -0.48 117.38 122.85 6pax n GLN 7 Ca 0.14 0.30 0.06 0.00 -0.01 0.00 0.00 57.00 57.49 6pax n GLN 7 Cb 0.61 -1.59 0.02 0.00 1.02 0.00 0.00 30.24 30.29 6pax n GLN 7 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 6pax n LEU 8 N -1.28 1.68 0.00 1.08 4.32 -1.26 -4.96 117.00 116.58 6pax n LEU 8 Ca 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 56.01 55.13 6pax n LEU 8 Cb 0.09 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 6pax n LEU 8 CO 0.00 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 6pax n GLY 9 N 0.90 0.74 3.80 -0.72 0.00 0.37 -4.87 105.19 105.41 6pax n GLY 9 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 6pax n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 6pax s GLY 10 N -1.89 2.66 -0.16 -0.02 0.00 -1.25 -4.74 107.32 101.93 6pax s GLY 10 Ca 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 6pax s GLY 10 CO 0.00 0.68 0.38 -1.34 0.00 0.00 0.00 173.10 172.83 6pax s VAL 11 N -1.60 5.24 0.06 1.40 -7.23 -1.25 0.13 120.40 117.15 6pax s VAL 11 Ca 0.47 0.73 0.02 0.00 -1.81 0.00 0.00 61.98 61.39 6pax s VAL 11 Cb -0.17 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 6pax s VAL 11 CO 0.22 0.33 -0.08 0.72 -0.31 0.00 0.00 175.10 175.98 6pax s PHE 12 N 0.75 0.78 -0.41 2.82 -0.12 -0.29 -4.92 117.98 116.60 6pax s PHE 12 Ca 0.20 -0.65 -0.05 0.00 -0.05 0.00 0.00 56.93 56.39 6pax s PHE 12 Cb -0.14 -0.46 0.10 0.00 -0.63 0.00 0.00 43.02 41.89 6pax s PHE 12 CO 0.07 -0.10 0.21 0.08 -0.05 0.00 0.00 175.22 175.43 6pax s VAL 13 N -2.19 3.58 -0.36 -2.49 1.01 -1.26 -0.60 120.40 118.09 6pax s VAL 13 Ca -0.02 -1.79 -0.39 0.00 0.00 0.00 0.00 61.98 59.78 6pax s VAL 13 Cb -0.04 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.85 6pax s VAL 13 CO -0.01 -0.59 1.98 -3.20 0.00 0.00 0.00 175.10 173.28 6pax n ASN 14 N 4.71 1.92 0.00 3.32 2.85 -1.26 -1.05 115.26 125.76 6pax n ASN 14 Ca -0.06 0.76 0.00 0.00 -0.11 0.00 0.00 54.58 55.17 6pax n ASN 14 Cb 0.42 -1.13 0.00 0.00 1.24 0.00 0.00 39.78 40.31 6pax n ASN 14 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 6pax n GLY 15 N 5.71 0.60 3.48 8.20 0.00 -1.26 -4.92 105.19 117.00 6pax n GLY 15 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 6pax n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 6pax s ARG 16 N -0.81 1.69 0.65 1.61 1.81 -0.21 -5.12 118.95 118.56 6pax s ARG 16 Ca 0.00 -1.79 -0.13 0.00 -1.72 0.00 0.00 55.73 52.09 6pax s ARG 16 Cb 0.00 -1.76 -0.01 0.00 -0.45 0.00 0.00 34.95 32.72 6pax s ARG 16 CO 0.00 0.31 1.06 -2.14 -0.68 0.00 0.00 175.30 173.85 6pax s PRO 17 N -3.52 3.11 0.42 3.54 0.02 -1.26 -4.74 135.00 132.56 6pax s PRO 17 Ca 0.30 1.08 -0.25 0.00 0.02 0.00 0.00 61.00 62.16 6pax s PRO 17 Cb -0.04 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 6pax s PRO 17 CO 0.15 -0.97 1.19 -0.51 -0.33 0.00 0.00 177.00 176.53 6pax s LEU 18 N -5.05 4.13 0.55 -5.54 1.02 -1.26 -4.90 118.68 107.64 6pax s LEU 18 Ca 0.61 2.39 -0.20 0.00 0.02 0.00 0.00 54.13 56.95 6pax s LEU 18 Cb -0.15 -4.07 -0.06 0.00 0.02 0.00 0.00 46.19 41.92 6pax s LEU 18 CO 0.46 -0.80 1.02 -2.65 0.02 0.00 0.00 176.35 174.41 6pax n PRO 19 N -0.11 1.12 0.03 1.29 -0.02 -1.26 -4.76 135.00 131.29 6pax n PRO 19 Ca 0.05 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 6pax n PRO 19 Cb 0.46 -2.19 0.59 0.00 -0.02 0.00 0.00 33.50 32.35 6pax n PRO 19 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 6pax h ASP 20 N 0.88 0.16 -0.51 2.55 3.32 -1.94 -0.74 116.42 120.14 6pax h ASP 20 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 6pax h ASP 20 Cb 1.35 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 6pax h ASP 20 CO 0.53 0.10 0.26 0.77 -1.72 0.00 0.00 179.24 179.18 6pax h SER 21 N 0.18 0.65 -0.40 6.45 4.64 -1.99 0.13 113.55 123.22 6pax h SER 21 Ca 0.20 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 6pax h SER 21 Cb 0.54 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 6pax h SER 21 CO -0.03 0.58 -0.30 0.74 -0.87 0.00 0.00 176.83 176.95 6pax h THR 22 N 0.68 1.27 -0.82 2.95 2.02 -1.53 -1.17 112.91 116.31 6pax h THR 22 Ca 0.18 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 6pax h THR 22 Cb 0.09 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 6pax h THR 22 CO -0.03 0.50 0.43 0.03 0.37 0.00 0.00 175.52 176.82 6pax h ARG 23 N 0.79 1.15 -0.44 6.66 3.08 -0.76 -0.23 114.38 124.63 6pax h ARG 23 Ca 0.08 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 6pax h ARG 23 Cb 0.88 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 6pax h ARG 23 CO 0.08 0.86 0.15 1.96 -1.07 0.00 0.00 179.97 181.95 6pax h GLN 24 N 1.15 0.68 -0.35 0.04 1.08 -0.56 -2.78 115.11 114.36 6pax h GLN 24 Ca 0.29 -0.14 0.05 0.00 -1.45 0.00 0.00 58.65 57.40 6pax h GLN 24 Cb 0.06 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 6pax h GLN 24 CO -0.04 0.65 0.06 0.00 -0.95 0.00 0.00 178.83 178.55 6pax h ARG 25 N 0.57 0.17 -0.40 1.46 2.47 -0.59 0.27 114.38 118.34 6pax h ARG 25 Ca 0.14 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.93 6pax h ARG 25 Cb 0.25 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.45 6pax h ARG 25 CO -0.01 0.11 -0.11 0.82 0.56 0.00 0.00 179.97 181.35 6pax h ILE 26 N 0.18 0.59 -0.14 2.04 2.04 -0.87 0.40 117.51 121.75 6pax h ILE 26 Ca 0.16 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.85 6pax h ILE 26 Cb 0.19 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 6pax h ILE 26 CO -0.22 0.00 -0.64 1.62 0.00 0.00 0.00 178.15 178.91 6pax h VAL 27 N -0.01 1.34 -0.40 1.67 3.04 -1.16 -1.70 116.25 119.04 6pax h VAL 27 Ca 0.19 -1.94 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 6pax h VAL 27 Cb 0.30 1.92 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 6pax h VAL 27 CO -0.42 0.60 0.26 -0.33 -1.01 0.00 0.00 177.57 176.67 6pax h GLU 28 N 0.38 0.52 -0.32 4.17 5.08 0.67 0.93 114.58 126.01 6pax h GLU 28 Ca -0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 6pax h GLU 28 Cb 1.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 6pax h GLU 28 CO 0.12 0.35 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.41 6pax h LEU 29 N 0.53 0.55 -0.56 1.33 3.38 -0.15 -2.42 115.31 117.98 6pax h LEU 29 Ca 0.14 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.85 6pax h LEU 29 Cb -0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 6pax h LEU 29 CO -0.03 0.72 0.30 0.00 0.09 0.00 0.00 178.44 179.52 6pax h ALA 30 N 0.84 0.72 -0.90 1.53 0.00 -1.04 -1.64 119.26 118.77 6pax h ALA 30 Ca 0.09 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.10 6pax h ALA 30 Cb 0.44 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 6pax h ALA 30 CO 0.02 -0.03 0.58 1.25 0.00 0.00 0.00 179.25 181.07 6pax h HIS 31 N 0.57 1.01 -0.02 0.00 -0.00 -0.59 0.43 115.15 116.55 6pax h HIS 31 Ca 0.24 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 6pax h HIS 31 Cb 0.13 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 6pax h HIS 31 CO -0.09 0.49 0.00 -1.13 -0.00 0.00 0.00 177.93 177.20 6pax n SER 32 N -4.51 0.17 0.00 3.26 3.41 -0.69 -4.88 113.62 110.38 6pax n SER 32 Ca 0.15 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 6pax n SER 32 Cb 0.26 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 6pax n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 6pax n GLY 33 N 0.80 1.09 3.75 5.00 0.00 0.14 -5.08 105.19 110.89 6pax n GLY 33 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 6pax n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6pax s ALA 34 N -2.00 3.38 0.66 4.61 0.00 -0.80 -5.00 121.76 122.60 6pax s ALA 34 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 6pax s ALA 34 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 6pax s ALA 34 CO 0.00 0.11 1.06 1.03 0.00 0.00 0.00 175.76 177.96 6pax s ARG 35 N -0.31 3.07 0.25 0.00 0.52 -1.26 -4.33 118.95 116.89 6pax s ARG 35 Ca 0.38 1.07 -0.03 0.00 -0.52 0.00 0.00 55.73 56.64 6pax s ARG 35 Cb -0.21 -2.00 0.51 0.00 0.52 0.00 0.00 34.95 33.76 6pax s ARG 35 CO 0.24 -1.00 1.71 -1.35 0.02 0.00 0.00 175.30 174.92 6pax h PRO 36 N -0.25 0.36 -0.60 3.54 0.11 -1.99 0.19 132.00 133.37 6pax h PRO 36 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 6pax h PRO 36 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 6pax h PRO 36 CO 0.57 0.24 0.31 0.00 -0.21 0.00 0.00 178.00 178.91 6pax h ASP 38 N 0.84 0.24 -0.78 0.00 3.32 -1.36 -1.21 116.42 117.46 6pax h ASP 38 Ca 0.21 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 57.06 6pax h ASP 38 Cb 0.05 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 6pax h ASP 38 CO -0.03 0.41 0.49 0.40 -1.72 0.00 0.00 179.24 178.79 6pax h ILE 39 N 0.06 1.11 -0.28 0.35 2.04 -0.72 -0.33 117.51 119.74 6pax h ILE 39 Ca 0.05 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.59 6pax h ILE 39 Cb 0.26 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 6pax h ILE 39 CO 0.00 0.17 0.16 -1.28 0.00 0.00 0.00 178.15 177.21 6pax h SER 40 N 0.95 0.26 0.34 1.72 0.87 -0.78 -0.93 113.55 115.99 6pax h SER 40 Ca 0.31 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 6pax h SER 40 Cb 0.02 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 6pax h SER 40 CO -0.12 0.19 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.12 6pax h ARG 41 N 0.33 -0.44 -0.30 2.24 2.43 -0.59 0.26 114.38 118.32 6pax h ARG 41 Ca 0.11 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 6pax h ARG 41 Cb -0.00 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 6pax h ARG 41 CO -0.05 -0.21 0.18 0.82 -1.51 0.00 0.00 179.97 179.20 6pax h ILE 42 N -0.59 1.05 -0.02 1.20 2.04 -1.01 -2.84 117.51 117.34 6pax h ILE 42 Ca -0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.68 6pax h ILE 42 Cb 0.43 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 6pax h ILE 42 CO 0.08 0.07 -0.03 0.18 0.00 0.00 0.00 178.15 178.44 6pax n LEU 43 N -4.90 1.68 -3.90 1.44 4.77 -0.36 -4.95 117.00 110.77 6pax n LEU 43 Ca -0.01 -0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 55.14 6pax n LEU 43 Cb 0.04 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 6pax n LEU 43 CO 0.33 0.28 -0.02 0.00 -1.33 0.00 0.00 177.39 176.65 6pax n GLN 44 N 0.26 -4.66 -4.54 3.23 6.02 0.85 -4.90 117.38 113.63 6pax n GLN 44 Ca 0.17 0.54 -0.32 0.00 -0.01 0.00 0.00 57.00 57.39 6pax n GLN 44 Cb 0.39 -5.18 -0.11 0.00 1.02 0.00 0.00 30.24 26.36 6pax n GLN 44 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 6pax s VAL 45 N -3.52 3.41 0.40 5.09 1.01 -0.70 -3.75 120.40 122.33 6pax s VAL 45 Ca 0.37 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 6pax s VAL 45 Cb -0.19 -2.46 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 6pax s VAL 45 CO 0.85 0.40 1.42 -0.94 0.00 0.00 0.00 175.10 176.83 6pax s SER 46 N -1.36 6.25 0.26 3.32 1.04 -1.26 -4.51 113.70 117.44 6pax s SER 46 Ca 0.16 2.91 -0.02 0.00 0.48 0.00 0.00 55.95 59.48 6pax s SER 46 Cb -0.11 -2.66 0.51 0.00 0.10 0.00 0.00 66.02 63.87 6pax s SER 46 CO 0.06 -0.92 1.75 0.78 0.98 0.00 0.00 173.24 175.89 6pax h ASN 47 N 2.79 0.42 -0.47 7.02 2.35 -1.94 -0.59 115.58 125.17 6pax h ASN 47 Ca -0.50 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 6pax h ASN 47 Cb 1.25 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 6pax h ASN 47 CO 0.63 0.17 0.28 1.23 -1.65 0.00 0.00 177.43 178.08 6pax h GLY 48 N 0.54 0.71 0.79 2.83 0.00 -1.99 -0.34 103.07 105.61 6pax h GLY 48 Ca 0.45 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 6pax h GLY 48 CO -0.39 0.28 -0.35 0.00 0.00 0.00 0.00 176.54 176.09 6pax h VAL 50 N 0.03 1.02 -0.32 0.00 2.07 -0.81 -0.90 116.25 117.34 6pax h VAL 50 Ca -0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.27 6pax h VAL 50 Cb 0.97 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 6pax h VAL 50 CO 0.07 0.13 0.21 -1.28 0.02 0.00 0.00 177.57 176.72 6pax h SER 51 N 0.72 0.35 -0.19 0.57 0.87 -1.00 -0.26 113.55 114.60 6pax h SER 51 Ca 0.28 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 6pax h SER 51 Cb 0.11 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 6pax h SER 51 CO -0.15 0.25 0.06 0.50 -0.53 0.00 0.00 176.83 176.97 6pax h LYS 52 N 0.42 0.30 -0.12 2.24 3.11 -0.67 0.02 116.57 121.87 6pax h LYS 52 Ca 0.12 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 6pax h LYS 52 Cb -0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.15 6pax h LYS 52 CO -0.03 0.40 0.02 0.82 -2.81 0.00 0.00 179.45 177.85 6pax h ILE 53 N 0.14 1.21 -0.37 2.00 2.04 -1.03 0.12 117.51 121.62 6pax h ILE 53 Ca 0.06 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.27 6pax h ILE 53 Cb 0.22 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 6pax h ILE 53 CO -0.00 0.20 0.22 -0.07 0.00 0.00 0.00 178.15 178.49 6pax h LEU 54 N -0.03 0.35 -0.32 1.44 3.38 -1.02 -0.70 115.31 118.42 6pax h LEU 54 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 6pax h LEU 54 Cb 0.28 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 6pax h LEU 54 CO 0.00 0.26 0.09 1.23 0.09 0.00 0.00 178.44 180.11 6pax h GLY 55 N 0.44 0.39 1.57 0.83 0.00 -0.71 -0.42 103.07 105.17 6pax h GLY 55 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 6pax h GLY 55 CO -0.07 0.01 -0.20 -0.09 0.00 0.00 0.00 176.54 176.20 6pax h ARG 56 N 0.22 0.51 -0.47 4.80 2.43 -0.72 -1.82 114.38 119.33 6pax h ARG 56 Ca 0.14 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 6pax h ARG 56 Cb 0.13 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 6pax h ARG 56 CO -0.16 0.68 0.23 -0.92 -1.51 0.00 0.00 179.97 178.29 6pax h TYR 57 N 0.46 0.68 0.00 2.20 3.20 -0.22 0.21 116.97 123.50 6pax h TYR 57 Ca 0.07 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 6pax h TYR 57 Cb 0.60 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 6pax h TYR 57 CO 0.02 0.54 -0.30 1.88 -1.64 0.00 0.00 178.16 178.66 6pax h TYR 58 N 0.62 0.00 0.10 -3.82 0.99 -0.70 0.82 116.97 114.98 6pax h TYR 58 Ca 0.16 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.59 6pax h TYR 58 Cb 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 6pax h TYR 58 CO -0.01 0.30 -1.57 0.00 -0.00 0.00 0.00 178.16 176.88 6pax h ALA 59 N 1.70 0.34 0.00 3.88 0.00 -0.93 -3.40 119.26 120.85 6pax h ALA 59 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 6pax h ALA 59 Cb 0.70 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 6pax h ALA 59 CO 0.04 1.20 0.00 0.25 0.00 0.00 0.00 179.25 180.74 6pax n THR 60 N -3.41 0.00 -0.94 0.00 -2.24 0.70 -4.99 114.28 103.40 6pax n THR 60 Ca -0.17 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 6pax n THR 60 Cb 1.04 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 6pax n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 6pax n GLY 61 N 0.63 0.32 3.68 3.38 0.00 0.28 -4.98 105.19 108.49 6pax n GLY 61 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 6pax n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 6pax s SER 62 N -2.13 5.24 0.00 1.61 0.15 -1.26 -4.97 113.70 112.34 6pax s SER 62 Ca 0.00 0.13 0.17 0.00 0.70 0.00 0.00 55.95 56.95 6pax s SER 62 Cb 0.00 -1.50 -0.15 0.00 -1.71 0.00 0.00 66.02 62.66 6pax s SER 62 CO 0.00 0.36 0.75 2.30 1.20 0.00 0.00 173.24 177.85 6pax n ILE 63 N 2.24 0.00 -2.37 6.45 -5.35 -1.26 -3.86 119.36 115.20 6pax n ILE 63 Ca -0.19 -0.15 -0.38 0.00 -0.27 0.00 0.00 62.75 61.76 6pax n ILE 63 Cb 0.54 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 6pax n ILE 63 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 6pax s ARG 64 N -2.47 4.21 0.73 6.28 1.81 -1.26 -4.91 118.95 123.34 6pax s ARG 64 Ca 0.08 1.78 -0.11 0.00 -1.72 0.00 0.00 55.73 55.76 6pax s ARG 64 Cb 0.13 -2.77 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 6pax s ARG 64 CO 0.64 -0.17 1.08 -1.25 -0.68 0.00 0.00 175.30 174.92 6pax s PRO 65 N -2.15 2.57 0.61 3.54 0.04 -1.26 -5.04 135.00 133.31 6pax s PRO 65 Ca 0.54 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 6pax s PRO 65 Cb -0.30 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.31 6pax s PRO 65 CO 0.37 -1.39 0.94 1.03 0.04 0.00 0.00 177.00 177.99 6pax s ARG 66 N -4.94 3.00 0.01 4.56 0.52 -1.26 -5.00 118.95 115.84 6pax s ARG 66 Ca 0.60 0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.66 6pax s ARG 66 Cb -0.16 -2.22 -0.06 0.00 0.52 0.00 0.00 34.95 33.03 6pax s ARG 66 CO 0.55 -0.72 1.55 0.00 0.02 0.00 0.00 175.30 176.70 6pax s ALA 67 N -3.05 3.63 0.21 2.13 0.00 -1.26 -5.01 121.76 118.41 6pax s ALA 67 Ca 0.54 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 53.43 6pax s ALA 67 Cb -0.11 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.28 6pax s ALA 67 CO 0.47 -1.09 0.51 0.42 0.00 0.00 0.00 175.76 176.06 6pax s ILE 68 N 2.85 4.99 0.00 0.00 1.01 -1.26 -4.97 121.20 123.82 6pax s ILE 68 Ca 0.70 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.71 6pax s ILE 68 Cb -0.35 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.50 6pax s ILE 68 CO 0.29 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.80 6pax n GLY 69 N -0.06 2.45 7.00 6.18 0.00 -1.26 -4.99 105.19 114.51 6pax n GLY 69 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 6pax n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6pax n GLY 70 N 0.00 0.67 3.85 -0.02 0.00 -1.26 -4.96 105.19 103.47 6pax n GLY 70 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 6pax n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 6pax s SER 71 N -4.00 -0.26 0.17 1.61 1.04 -1.26 -5.17 113.70 105.83 6pax s SER 71 Ca 0.00 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.86 6pax s SER 71 Cb 0.00 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 6pax s SER 71 CO 0.00 -1.32 0.31 -0.54 0.98 0.00 0.00 173.24 172.67 6pax s LYS 72 N -3.88 3.45 0.10 4.02 -0.14 -1.26 -5.04 119.74 117.00 6pax s LYS 72 Ca 0.11 -0.56 -0.34 0.00 -1.36 0.00 0.00 55.97 53.81 6pax s LYS 72 Cb -0.06 -2.93 -0.14 0.00 -1.68 0.00 0.00 37.83 33.02 6pax s LYS 72 CO 0.06 0.49 1.63 -2.30 -0.76 0.00 0.00 175.35 174.47 6pax n PRO 73 N -0.65 2.10 -0.12 -1.68 -0.02 -1.26 -4.91 135.00 128.46 6pax n PRO 73 Ca -0.07 0.76 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 6pax n PRO 73 Cb 0.54 -2.54 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 6pax n PRO 73 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 6pax n ARG 74 N 4.07 0.51 -0.10 -0.52 1.74 -1.26 -4.76 116.66 116.34 6pax n ARG 74 Ca 0.18 0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 57.32 6pax n ARG 74 Cb 0.28 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 6pax n ARG 74 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 6pax n VAL 75 N -4.00 1.13 -1.40 1.55 0.24 -1.26 -4.65 118.33 109.94 6pax n VAL 75 Ca -0.47 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.34 61.10 6pax n VAL 75 Cb 0.84 -1.37 -0.05 0.00 -1.47 0.00 0.00 33.84 31.79 6pax n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6pax n ALA 76 N -3.34 7.21 -1.23 2.33 0.00 -1.26 -4.75 120.51 119.47 6pax n ALA 76 Ca -0.37 -3.35 -0.30 0.00 0.00 0.00 0.00 53.44 49.42 6pax n ALA 76 Cb 0.84 -3.05 0.11 0.00 0.00 0.00 0.00 19.45 17.36 6pax n ALA 76 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 6pax s THR 77 N 1.16 3.00 0.20 0.00 -4.23 -1.26 -4.72 115.64 109.79 6pax s THR 77 Ca 0.66 0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 61.39 6pax s THR 77 Cb 0.21 -2.81 0.15 0.00 1.34 0.00 0.00 72.50 71.39 6pax s THR 77 CO -0.06 -0.42 1.71 -0.65 -0.54 0.00 0.00 174.62 174.65 6pax h PRO 78 N -1.33 0.24 -0.79 3.99 0.11 -1.96 0.11 132.00 132.36 6pax h PRO 78 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 6pax h PRO 78 Cb 1.26 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 6pax h PRO 78 CO 0.53 0.16 0.45 1.49 -0.21 0.00 0.00 178.00 180.41 6pax h GLU 79 N 0.24 1.09 -0.34 1.05 4.81 -1.98 0.08 114.58 119.53 6pax h GLU 79 Ca 0.29 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 6pax h GLU 79 Cb 0.43 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 6pax h GLU 79 CO -0.39 0.78 -0.03 0.28 -0.73 0.00 0.00 179.01 178.93 6pax h VAL 80 N 1.10 1.27 -0.64 0.32 2.07 -1.69 -0.81 116.25 117.86 6pax h VAL 80 Ca 0.28 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 6pax h VAL 80 Cb -0.00 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 6pax h VAL 80 CO -0.05 0.34 0.37 0.58 0.02 0.00 0.00 177.57 178.83 6pax h VAL 81 N 0.42 1.19 -0.55 2.57 2.07 -0.51 0.10 116.25 121.56 6pax h VAL 81 Ca 0.09 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.16 6pax h VAL 81 Cb 0.49 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 6pax h VAL 81 CO 0.02 0.21 0.36 0.28 0.02 0.00 0.00 177.57 178.46 6pax h SER 82 N 0.87 0.61 -0.31 0.57 0.02 -0.66 -1.12 113.55 113.54 6pax h SER 82 Ca 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 6pax h SER 82 Cb 0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 6pax h SER 82 CO -0.04 0.44 0.17 0.11 -1.14 0.00 0.00 176.83 176.37 6pax h LYS 83 N 0.73 0.43 -0.43 3.45 1.79 -0.44 0.19 116.57 122.29 6pax h LYS 83 Ca 0.20 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 6pax h LYS 83 Cb -0.07 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.46 6pax h LYS 83 CO -0.05 0.37 0.19 0.82 -1.08 0.00 0.00 179.45 179.69 6pax h ILE 84 N 0.37 0.93 -0.91 1.86 2.04 -0.44 0.33 117.51 121.69 6pax h ILE 84 Ca 0.11 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 6pax h ILE 84 Cb 0.06 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 6pax h ILE 84 CO -0.02 0.07 0.52 0.00 0.00 0.00 0.00 178.15 178.73 6pax h ALA 85 N 1.25 1.20 -0.52 1.87 0.00 -0.86 -1.26 119.26 120.95 6pax h ALA 85 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 6pax h ALA 85 Cb 0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 6pax h ALA 85 CO -0.16 0.66 0.33 0.37 0.00 0.00 0.00 179.25 180.45 6pax h GLN 86 N 1.27 0.65 -0.08 0.00 4.15 0.14 0.08 115.11 121.33 6pax h GLN 86 Ca 0.32 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 6pax h GLN 86 Cb -0.01 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 6pax h GLN 86 CO -0.06 0.43 -0.00 1.88 -1.93 0.00 0.00 178.83 179.15 6pax h TYR 87 N 0.67 0.15 -0.99 3.99 0.99 0.37 -2.97 116.97 119.17 6pax h TYR 87 Ca 0.20 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.91 6pax h TYR 87 Cb -0.04 -0.04 -0.05 0.00 1.00 0.00 0.00 36.73 37.60 6pax h TYR 87 CO -0.05 0.41 0.64 0.87 -0.00 0.00 0.00 178.16 180.03 6pax h LYS 88 N -0.15 1.32 -0.23 4.88 1.79 -1.15 -1.66 116.57 121.37 6pax h LYS 88 Ca 0.02 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 6pax h LYS 88 Cb 0.35 -0.29 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 6pax h LYS 88 CO 0.00 0.88 -0.03 0.37 -1.08 0.00 0.00 179.45 179.60 6pax h GLN 89 N 1.35 0.03 0.00 3.15 4.15 -0.89 -1.75 115.11 121.16 6pax h GLN 89 Ca 0.36 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 6pax h GLN 89 Cb -0.13 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.55 6pax h GLN 89 CO -0.08 0.02 -0.05 1.05 -1.93 0.00 0.00 178.83 177.84 6pax h GLU 90 N 0.03 0.00 -1.46 1.69 4.11 -1.33 -3.39 114.58 114.23 6pax h GLU 90 Ca 0.11 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.27 6pax h GLU 90 Cb 0.15 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.16 6pax h GLU 90 CO -0.21 0.00 -0.62 0.00 0.07 0.00 0.00 179.01 178.25 6pax h PRO 92 N 5.86 0.36 0.00 0.00 0.11 -1.53 -1.97 132.00 134.84 6pax h PRO 92 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 6pax h PRO 92 Cb 1.07 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 6pax h PRO 92 CO 0.14 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.04 6pax n SER 93 N -4.47 0.00 -4.77 -2.05 3.41 -1.26 -4.87 113.62 99.61 6pax n SER 93 Ca 0.15 -0.95 -0.39 0.00 -0.26 0.00 0.00 58.87 57.41 6pax n SER 93 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 6pax n SER 93 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 6pax s ILE 94 N -2.00 2.89 0.36 -1.33 2.07 -0.74 -5.04 121.20 117.42 6pax s ILE 94 Ca 0.32 0.81 -0.09 0.00 -1.41 0.00 0.00 60.65 60.28 6pax s ILE 94 Cb 0.15 -3.48 -0.06 0.00 0.13 0.00 0.00 42.46 39.19 6pax s ILE 94 CO 0.25 0.13 0.70 -0.36 -1.91 0.00 0.00 174.94 173.75 6pax s PHE 95 N -1.28 3.47 0.20 3.50 0.08 -1.26 -4.95 117.98 117.74 6pax s PHE 95 Ca 0.54 0.94 -0.10 0.00 0.12 0.00 0.00 56.93 58.43 6pax s PHE 95 Cb -0.35 -2.35 0.23 0.00 -0.57 0.00 0.00 43.02 39.97 6pax s PHE 95 CO 0.46 -0.01 1.78 0.00 -0.10 0.00 0.00 175.22 177.35 6pax h ALA 96 N 1.45 0.80 -0.29 5.36 0.00 -1.96 0.36 119.26 124.98 6pax h ALA 96 Ca -0.47 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 6pax h ALA 96 Cb 1.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 6pax h ALA 96 CO 0.65 -0.06 -0.02 0.11 0.00 0.00 0.00 179.25 179.93 6pax h TRP 97 N 0.56 0.46 -0.59 0.00 5.08 -1.94 0.26 115.95 119.78 6pax h TRP 97 Ca 0.28 -0.04 -0.10 0.00 1.08 0.00 0.00 58.89 60.11 6pax h TRP 97 Cb 0.23 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 26.23 6pax h TRP 97 CO -0.11 0.48 -0.02 0.93 -1.28 0.00 0.00 178.44 178.44 6pax h GLU 98 N 0.43 1.05 -0.69 0.12 5.08 -1.46 -0.29 114.58 118.83 6pax h GLU 98 Ca 0.09 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 6pax h GLU 98 Cb 0.31 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 6pax h GLU 98 CO 0.01 1.04 0.16 0.82 -1.00 0.00 0.00 179.01 180.05 6pax h ILE 99 N 0.95 1.26 0.70 3.13 2.04 0.20 -1.95 117.51 123.84 6pax h ILE 99 Ca 0.16 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 6pax h ILE 99 Cb 0.58 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 6pax h ILE 99 CO 0.03 0.37 -0.43 -0.09 0.00 0.00 0.00 178.15 178.03 6pax h ARG 100 N 1.04 -1.03 -0.97 2.37 2.43 0.13 -1.32 114.38 117.03 6pax h ARG 100 Ca 0.22 0.07 0.26 0.00 -0.81 0.00 0.00 59.98 59.72 6pax h ARG 100 Cb 0.38 0.23 -0.13 0.00 -0.42 0.00 0.00 29.97 30.03 6pax h ARG 100 CO 0.00 -0.69 0.51 -0.44 -1.51 0.00 0.00 179.97 177.85 6pax h ASP 101 N -1.07 0.50 0.50 -3.80 3.32 -0.97 -0.88 116.42 114.02 6pax h ASP 101 Ca -0.09 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 6pax h ASP 101 Cb 0.86 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.52 6pax h ASP 101 CO 0.09 -0.01 -0.24 0.03 -1.72 0.00 0.00 179.24 177.39 6pax h ARG 102 N 0.44 -0.65 -0.99 3.56 2.47 -0.84 0.46 114.38 118.83 6pax h ARG 102 Ca 0.64 0.04 0.25 0.00 -1.26 0.00 0.00 59.98 59.66 6pax h ARG 102 Cb 1.31 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 29.70 6pax h ARG 102 CO -0.54 -0.37 0.66 -0.07 0.56 0.00 0.00 179.97 180.21 6pax h LEU 103 N -0.83 0.33 0.20 3.04 -0.00 -0.06 0.92 115.31 118.91 6pax h LEU 103 Ca -0.07 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 6pax h LEU 103 Cb 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 6pax h LEU 103 CO 0.11 0.10 -0.10 -0.07 -0.00 0.00 0.00 178.44 178.48 6pax h LEU 104 N 0.31 -0.23 -0.89 1.67 3.38 -1.00 0.13 115.31 118.69 6pax h LEU 104 Ca 0.52 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.31 6pax h LEU 104 Cb 1.48 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.25 6pax h LEU 104 CO -0.19 0.30 0.59 0.77 0.09 0.00 0.00 178.44 180.00 6pax h SER 105 N -0.99 1.01 0.93 -0.43 4.64 -0.16 -0.44 113.55 118.11 6pax h SER 105 Ca -0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 6pax h SER 105 Cb 0.42 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 6pax h SER 105 CO 0.04 0.72 0.00 -0.62 -0.87 0.00 0.00 176.83 176.11 6pax n GLU 106 N -4.48 0.13 -1.08 4.77 1.02 0.25 -4.92 120.64 116.34 6pax n GLU 106 Ca 0.10 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 6pax n GLU 106 Cb 0.03 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 6pax n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 6pax n GLY 107 N 0.64 0.45 0.16 0.62 0.00 -0.17 -4.93 105.19 101.97 6pax n GLY 107 Ca 0.04 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 45.14 6pax n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 6pax h VAL 108 N 0.00 0.90 -4.02 1.61 2.07 -0.98 -3.45 116.25 112.38 6pax h VAL 108 Ca 0.00 -1.88 -0.19 0.00 0.82 0.00 0.00 66.70 65.45 6pax h VAL 108 Cb 0.17 2.17 -0.19 0.00 -1.52 0.00 0.00 31.29 31.92 6pax h VAL 108 CO 0.00 0.44 -0.70 0.00 0.02 0.00 0.00 177.57 177.33 6pax s THR 110 N -2.30 4.03 -1.14 0.00 -4.23 -1.26 -4.53 115.64 106.21 6pax s THR 110 Ca -0.06 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 6pax s THR 110 Cb -0.04 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.41 6pax s THR 110 CO -0.03 -0.16 0.86 0.59 -0.54 0.00 0.00 174.62 175.34 6pax n ASN 111 N -1.63 0.00 -0.04 3.99 3.02 -1.26 -1.14 115.26 118.21 6pax n ASN 111 Ca -0.00 0.37 -0.10 0.00 -0.03 0.00 0.00 54.58 54.81 6pax n ASN 111 Cb 0.58 -0.37 -0.14 0.00 -0.61 0.00 0.00 39.78 39.24 6pax n ASN 111 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 6pax n ASP 112 N -1.36 0.84 -0.49 6.41 8.00 -1.26 -4.42 116.55 124.27 6pax n ASP 112 Ca 0.00 0.30 0.06 0.00 0.71 0.00 0.00 54.79 55.86 6pax n ASP 112 Cb 0.02 0.07 0.14 0.00 -0.02 0.00 0.00 41.12 41.34 6pax n ASP 112 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 6pax n ASN 113 N -3.03 2.88 -4.72 -2.24 0.23 -0.29 -5.01 115.26 103.08 6pax n ASN 113 Ca -0.22 -2.38 -0.42 0.00 -0.53 0.00 0.00 54.58 51.03 6pax n ASN 113 Cb 1.07 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 38.46 6pax n ASN 113 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 6pax s ILE 114 N -1.67 3.35 0.68 1.53 1.10 -0.65 -4.67 121.20 120.86 6pax s ILE 114 Ca 0.24 1.00 -0.14 0.00 -0.51 0.00 0.00 60.65 61.24 6pax s ILE 114 Cb 0.17 -3.64 0.01 0.00 0.15 0.00 0.00 42.46 39.14 6pax s ILE 114 CO 0.09 0.10 1.11 -2.84 -2.11 0.00 0.00 174.94 171.29 6pax s PRO 115 N 0.75 2.70 0.64 3.50 0.02 -1.26 -5.02 135.00 136.33 6pax s PRO 115 Ca 0.62 1.37 -0.12 0.00 0.02 0.00 0.00 61.00 62.88 6pax s PRO 115 Cb -0.36 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 6pax s PRO 115 CO 0.32 -1.33 1.05 -1.54 -0.33 0.00 0.00 177.00 175.17 6pax s SER 116 N -2.69 5.75 0.30 2.53 1.04 -1.26 -4.85 113.70 114.53 6pax s SER 116 Ca 0.66 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.71 6pax s SER 116 Cb -0.20 -2.50 0.51 0.00 0.10 0.00 0.00 66.02 63.93 6pax s SER 116 CO 0.44 -1.19 1.92 0.58 0.98 0.00 0.00 173.24 175.97 6pax h VAL 117 N -0.24 1.09 -0.02 5.02 2.07 -1.95 0.43 116.25 122.66 6pax h VAL 117 Ca -0.45 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 66.74 6pax h VAL 117 Cb 1.21 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 6pax h VAL 117 CO 0.58 0.19 -0.14 -1.28 0.02 0.00 0.00 177.57 176.94 6pax h SER 118 N 1.04 -0.42 -0.90 0.57 0.87 -1.99 0.26 113.55 112.99 6pax h SER 118 Ca 0.37 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.99 6pax h SER 118 Cb 0.14 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 6pax h SER 118 CO -0.13 -0.20 0.56 0.28 -0.53 0.00 0.00 176.83 176.81 6pax h SER 119 N -0.23 1.08 -0.24 6.23 0.02 -1.61 0.11 113.55 118.91 6pax h SER 119 Ca 0.06 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 6pax h SER 119 Cb 0.30 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 6pax h SER 119 CO -0.15 0.82 0.08 0.40 -1.14 0.00 0.00 176.83 176.84 6pax h ILE 120 N 1.24 0.94 -0.07 3.27 2.04 -0.08 0.55 117.51 125.39 6pax h ILE 120 Ca 0.33 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 66.03 6pax h ILE 120 Cb -0.07 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 6pax h ILE 120 CO -0.06 0.04 -0.37 0.78 0.00 0.00 0.00 178.15 178.53 6pax h ASN 121 N 0.20 0.15 -0.39 1.72 2.35 -0.46 0.85 115.58 119.99 6pax h ASN 121 Ca 0.10 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 6pax h ASN 121 Cb 0.07 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 6pax h ASN 121 CO -0.11 0.51 0.00 -0.09 -1.65 0.00 0.00 177.43 176.10 6pax h ARG 122 N 0.12 0.69 -0.28 0.81 2.43 0.02 0.25 114.38 118.43 6pax h ARG 122 Ca 0.01 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 6pax h ARG 122 Cb 0.71 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 6pax h ARG 122 CO 0.05 0.78 0.11 0.28 -1.51 0.00 0.00 179.97 179.68 6pax h VAL 123 N 0.52 0.95 -0.96 0.20 2.07 0.79 0.24 116.25 120.05 6pax h VAL 123 Ca 0.11 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.56 6pax h VAL 123 Cb 0.47 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 6pax h VAL 123 CO 0.02 0.04 0.64 -0.07 0.02 0.00 0.00 177.57 178.22 6pax h LEU 124 N 0.25 1.10 -0.40 2.57 3.38 -0.47 -0.22 115.31 121.52 6pax h LEU 124 Ca 0.12 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 6pax h LEU 124 Cb 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 6pax h LEU 124 CO -0.11 0.79 -0.21 0.03 0.09 0.00 0.00 178.44 179.04 6pax h ARG 125 N 1.30 0.85 -0.83 1.13 3.08 0.39 -1.74 114.38 118.55 6pax h ARG 125 Ca 0.35 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 60.06 6pax h ARG 125 Cb -0.14 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 6pax h ARG 125 CO -0.08 1.01 0.54 -0.91 -1.07 0.00 0.00 179.97 179.46 6pax h ASN 126 N 0.66 0.90 -0.69 7.04 2.35 0.01 -1.64 115.58 124.20 6pax h ASN 126 Ca 0.09 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 6pax h ASN 126 Cb 0.77 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 6pax h ASN 126 CO 0.06 0.62 0.14 -0.07 -1.65 0.00 0.00 177.43 176.53 6pax h LEU 127 N 1.06 1.08 -0.13 1.61 3.38 -0.81 -1.87 115.31 119.63 6pax h LEU 127 Ca 0.33 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.08 6pax h LEU 127 Cb -0.02 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 6pax h LEU 127 CO -0.11 1.05 -0.10 0.00 0.09 0.00 0.00 178.44 179.38 6pax h ALA 128 N 1.07 0.01 -0.08 1.53 0.00 -0.39 -2.33 119.26 119.07 6pax h ALA 128 Ca 0.21 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 6pax h ALA 128 Cb 0.42 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 6pax h ALA 128 CO 0.01 -0.55 -0.74 0.66 0.00 0.00 0.00 179.25 178.63 6pax h SER 129 N -0.11 0.50 -0.75 0.00 4.64 -1.47 -3.12 113.55 113.24 6pax h SER 129 Ca 0.08 -0.33 0.15 0.00 -0.47 0.00 0.00 61.79 61.22 6pax h SER 129 Cb 0.23 -0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 62.07 6pax h SER 129 CO -0.19 1.08 0.26 -0.08 -0.87 0.00 0.00 176.83 177.03 6pax h GLU 130 N 0.28 0.37 -0.01 4.77 4.81 -1.06 0.41 114.58 124.15 6pax h GLU 130 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 6pax h GLU 130 Cb 1.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.62 6pax h GLU 130 CO 0.13 0.25 0.00 0.36 -0.73 0.00 0.00 179.01 179.01 6pax n LYS 131 N -5.05 1.21 0.04 1.92 2.85 -0.90 -2.67 118.16 115.55 6pax n LYS 131 Ca 0.15 -0.30 -0.19 0.00 -1.05 0.00 0.00 58.31 56.92 6pax n LYS 131 Cb 0.44 -1.47 -0.14 0.00 -0.65 0.00 0.00 35.03 33.21 6pax n LYS 131 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 6pax h GLN 132 N 0.71 0.26 0.00 -1.58 4.20 -0.21 -3.52 115.11 114.98 6pax h GLN 132 Ca 0.00 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.26 6pax h GLN 132 Cb 0.15 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.10 6pax h GLN 132 CO 0.00 1.12 0.00 1.04 -0.67 0.00 0.00 178.83 180.32