#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2p s ILE 4 N 0.00 4.60 0.00 1.34 1.01 -1.26 -4.86 121.20 122.04 1a2p s ILE 4 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.71 1a2p s ILE 4 Cb 0.00 -3.65 0.09 0.00 0.01 0.00 0.00 42.46 38.91 1a2p s ILE 4 CO 0.00 -0.34 0.94 -0.46 0.00 0.00 0.00 174.94 175.08 1a2p n ASN 5 N 5.01 0.14 -4.96 3.58 6.94 -1.26 -4.81 115.26 119.90 1a2p n ASN 5 Ca -0.11 -1.82 -0.22 0.00 -0.02 0.00 0.00 54.58 52.41 1a2p n ASN 5 Cb 0.45 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.71 1a2p n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1a2p s THR 6 N 0.00 5.00 0.12 5.53 -4.23 -1.26 -0.86 115.64 119.94 1a2p s THR 6 Ca 0.07 -0.77 -0.20 0.00 -1.18 0.00 0.00 61.69 59.61 1a2p s THR 6 Cb 0.08 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 1a2p s THR 6 CO -0.04 -0.39 1.74 -0.26 -0.54 0.00 0.00 174.62 175.13 1a2p h PHE 7 N 0.94 0.09 -0.32 3.99 0.04 -1.99 -0.34 116.94 119.36 1a2p h PHE 7 Ca -0.50 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.12 1a2p h PHE 7 Cb 1.23 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.36 1a2p h PHE 7 CO 0.47 0.04 -0.43 -0.44 -0.60 0.00 0.00 178.31 177.34 1a2p h ASP 8 N 0.14 0.89 -0.38 2.17 3.32 -1.99 -1.11 116.42 119.46 1a2p h ASP 8 Ca 0.08 -0.43 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 1a2p h ASP 8 Cb 0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1a2p h ASP 8 CO -0.10 1.20 -0.04 1.23 -1.72 0.00 0.00 179.24 179.81 1a2p h GLY 9 N 0.84 0.76 1.32 2.75 0.00 -1.91 -1.68 103.07 105.16 1a2p h GLY 9 Ca 0.04 -0.60 -0.19 0.00 0.00 0.00 0.00 47.33 46.59 1a2p h GLY 9 CO 0.10 0.55 -0.62 -2.08 0.00 0.00 0.00 176.54 174.48 1a2p h VAL 10 N 0.52 1.30 -0.41 4.60 2.07 -1.10 -1.82 116.25 121.42 1a2p h VAL 10 Ca 0.10 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.79 1a2p h VAL 10 Cb 0.54 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1a2p h VAL 10 CO 0.03 0.59 0.22 0.00 0.02 0.00 0.00 177.57 178.43 1a2p h ALA 11 N 0.78 0.51 -0.50 1.67 0.00 -1.09 -0.40 119.26 120.23 1a2p h ALA 11 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1a2p h ALA 11 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1a2p h ALA 11 CO 0.13 -0.12 -0.15 -0.44 0.00 0.00 0.00 179.25 178.66 1a2p h ASP 12 N 0.45 1.00 -0.35 0.00 3.32 -1.28 -2.20 116.42 117.35 1a2p h ASP 12 Ca 0.17 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1a2p h ASP 12 Cb 0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1a2p h ASP 12 CO -0.10 1.14 0.11 0.22 -1.72 0.00 0.00 179.24 178.90 1a2p h TYR 13 N 0.85 0.56 -0.37 4.55 5.03 -0.98 -2.27 116.97 124.34 1a2p h TYR 13 Ca 0.12 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.40 1a2p h TYR 13 Cb 0.72 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.81 1a2p h TYR 13 CO 0.05 0.54 0.20 -0.07 -1.32 0.00 0.00 178.16 177.56 1a2p h LEU 14 N 0.42 0.30 -1.26 2.82 3.38 -0.98 0.11 115.31 120.09 1a2p h LEU 14 Ca 0.11 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1a2p h LEU 14 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1a2p h LEU 14 CO -0.00 0.22 -0.33 1.56 0.09 0.00 0.00 178.44 179.97 1a2p h GLN 15 N 0.40 0.00 0.05 1.13 4.20 -1.24 -0.34 115.11 119.31 1a2p h GLN 15 Ca 0.15 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.63 1a2p h GLN 15 Cb 0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1a2p h GLN 15 CO -0.10 0.33 -1.27 1.15 -0.67 0.00 0.00 178.83 178.27 1a2p h THR 16 N 0.00 1.00 0.00 -0.54 2.02 -1.17 -3.42 112.91 110.80 1a2p h THR 16 Ca -0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1a2p h THR 16 Cb 0.69 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1a2p h THR 16 CO 0.04 0.53 -0.68 -1.22 0.37 0.00 0.00 175.52 174.56 1a2p n TYR 17 N -4.18 0.00 -2.70 3.16 4.01 0.34 -5.02 117.16 112.77 1a2p n TYR 17 Ca -0.28 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.28 1a2p n TYR 17 Cb 0.77 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.80 1a2p n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1a2p n HIS 18 N -1.35 -1.37 -3.68 -0.72 8.25 -0.14 -4.96 115.22 111.26 1a2p n HIS 18 Ca 0.02 0.29 -0.08 0.00 -0.26 0.00 0.00 57.72 57.69 1a2p n HIS 18 Cb 0.21 -3.78 -0.02 0.00 1.12 0.00 0.00 29.99 27.52 1a2p n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1a2p s LYS 19 N -5.29 1.46 0.58 -0.41 -2.85 -1.26 -5.07 119.74 106.90 1a2p s LYS 19 Ca 0.17 -0.72 -0.14 0.00 -1.00 0.00 0.00 55.97 54.27 1a2p s LYS 19 Cb -0.07 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 1a2p s LYS 19 CO 0.21 -0.66 1.02 -0.51 0.10 0.00 0.00 175.35 175.50 1a2p s LEU 20 N -2.83 3.44 0.98 2.77 1.43 -1.26 -4.20 118.68 118.99 1a2p s LEU 20 Ca 0.08 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 1a2p s LEU 20 Cb -0.03 -4.50 0.18 0.00 0.03 0.00 0.00 46.19 41.87 1a2p s LEU 20 CO -0.01 -0.85 1.10 -2.84 0.23 0.00 0.00 176.35 173.97 1a2p s PRO 21 N -4.50 0.55 0.20 1.29 0.02 -1.26 -4.89 135.00 126.41 1a2p s PRO 21 Ca 0.58 1.19 0.18 0.00 0.02 0.00 0.00 61.00 62.98 1a2p s PRO 21 Cb -0.12 -1.70 0.84 0.00 0.02 0.00 0.00 34.50 33.54 1a2p s PRO 21 CO 0.41 -2.83 1.55 -0.25 -0.33 0.00 0.00 177.00 175.55 1a2p n ASP 22 N -4.34 0.43 -0.09 2.53 8.00 -1.26 -2.62 116.55 119.20 1a2p n ASP 22 Ca 0.08 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.34 1a2p n ASP 22 Cb 0.53 -0.72 0.63 0.00 -0.02 0.00 0.00 41.12 41.54 1a2p n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1a2p n ASN 23 N -2.02 0.27 -4.83 -2.24 6.94 -1.26 -4.84 115.26 107.28 1a2p n ASN 23 Ca 0.01 -1.35 -0.36 0.00 -0.02 0.00 0.00 54.58 52.86 1a2p n ASN 23 Cb 0.13 -0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 1a2p n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1a2p s TYR 24 N -1.98 3.53 0.11 -2.53 2.02 -1.08 -0.60 117.35 116.83 1a2p s TYR 24 Ca 0.34 0.46 0.05 0.00 -0.37 0.00 0.00 57.07 57.55 1a2p s TYR 24 Cb 0.16 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1a2p s TYR 24 CO 0.27 0.60 -0.12 0.96 -1.57 0.00 0.00 175.55 175.69 1a2p s ILE 25 N -0.63 1.12 0.76 2.71 -4.36 -0.42 -4.90 121.20 115.48 1a2p s ILE 25 Ca 0.13 -1.72 -0.12 0.00 -0.26 0.00 0.00 60.65 58.69 1a2p s ILE 25 Cb -0.12 -1.48 0.05 0.00 1.25 0.00 0.00 42.46 42.16 1a2p s ILE 25 CO 0.02 -0.52 1.14 0.42 0.24 0.00 0.00 174.94 176.24 1a2p s THR 26 N -2.41 2.71 0.22 8.37 -4.23 -1.21 -0.95 115.64 118.13 1a2p s THR 26 Ca 0.08 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1a2p s THR 26 Cb -0.03 -3.23 0.16 0.00 1.34 0.00 0.00 72.50 70.75 1a2p s THR 26 CO 0.01 -0.30 1.84 0.11 -0.54 0.00 0.00 174.62 175.74 1a2p h LYS 27 N -0.86 0.81 -0.44 3.99 1.57 -1.96 -0.03 116.57 119.65 1a2p h LYS 27 Ca -0.45 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.17 1a2p h LYS 27 Cb 1.29 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1a2p h LYS 27 CO 0.65 0.54 -0.14 0.66 -0.57 0.00 0.00 179.45 180.58 1a2p h SER 28 N 0.84 0.82 -0.59 0.86 4.64 -1.99 -0.33 113.55 117.79 1a2p h SER 28 Ca 0.31 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1a2p h SER 28 Cb 0.12 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1a2p h SER 28 CO -0.15 0.97 0.13 -0.33 -0.87 0.00 0.00 176.83 176.58 1a2p h GLU 29 N 0.73 0.95 -0.30 4.77 5.08 -1.77 -1.89 114.58 122.15 1a2p h GLU 29 Ca 0.12 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1a2p h GLU 29 Cb 0.64 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1a2p h GLU 29 CO 0.05 0.88 0.19 0.00 -1.00 0.00 0.00 179.01 179.12 1a2p h ALA 30 N 1.03 0.39 -0.94 3.43 0.00 -0.73 -2.59 119.26 119.85 1a2p h ALA 30 Ca 0.18 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1a2p h ALA 30 Cb 0.37 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1a2p h ALA 30 CO 0.00 -0.12 0.60 1.96 0.00 0.00 0.00 179.25 181.70 1a2p h GLN 31 N 0.39 0.92 0.00 0.00 4.20 -0.86 -1.55 115.11 118.22 1a2p h GLN 31 Ca 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1a2p h GLN 31 Cb 0.00 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 1a2p h GLN 31 CO -0.02 0.61 -0.11 0.00 -0.67 0.00 0.00 178.83 178.64 1a2p h ALA 32 N 1.54 1.26 0.00 3.87 0.00 -0.96 -2.13 119.26 122.83 1a2p h ALA 32 Ca 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1a2p h ALA 32 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a2p h ALA 32 CO -0.20 0.13 -0.24 -0.07 0.00 0.00 0.00 179.25 178.88 1a2p h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.09 -3.47 115.31 114.12 1a2p h LEU 33 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1a2p h LEU 33 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1a2p h LEU 33 CO 0.01 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1a2p n GLY 34 N 1.31 1.28 3.72 0.83 0.00 -0.80 -4.96 105.19 106.56 1a2p n GLY 34 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1a2p n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1a2p s TRP 35 N -2.00 3.12 -0.30 1.61 -0.00 -0.87 -4.98 118.94 115.51 1a2p s TRP 35 Ca 0.00 0.82 0.03 0.00 -0.00 0.00 0.00 56.10 56.95 1a2p s TRP 35 Cb 0.00 -3.82 0.08 0.00 -0.00 0.00 0.00 33.47 29.73 1a2p s TRP 35 CO 0.00 -2.90 -0.03 0.08 -0.00 0.00 0.00 176.95 174.10 1a2p s VAL 36 N 0.90 2.31 0.25 5.86 1.01 -1.26 -4.51 120.40 124.96 1a2p s VAL 36 Ca 0.66 -1.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.69 1a2p s VAL 36 Cb -0.41 -2.51 0.23 0.00 0.00 0.00 0.00 36.38 33.69 1a2p s VAL 36 CO 0.33 -0.29 1.73 0.00 0.00 0.00 0.00 175.10 176.87 1a2p h ALA 37 N 7.73 1.14 0.00 5.51 0.00 -2.00 -0.60 119.26 131.04 1a2p h ALA 37 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a2p h ALA 37 Cb 1.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a2p h ALA 37 CO 0.50 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1a2p n SER 38 N -4.99 0.41 0.00 0.00 3.41 -1.26 -2.14 113.62 109.05 1a2p n SER 38 Ca 0.16 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.49 1a2p n SER 38 Cb 0.45 -0.70 -0.12 0.00 -0.26 0.00 0.00 64.21 63.59 1a2p n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a2p n LYS 39 N -1.97 0.31 -2.83 4.33 5.02 -0.26 -5.00 118.16 117.75 1a2p n LYS 39 Ca 0.02 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 1a2p n LYS 39 Cb 0.17 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 33.68 1a2p n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a2p n GLY 40 N 1.38 -0.00 1.23 0.72 0.00 -0.91 -4.86 105.19 102.74 1a2p n GLY 40 Ca 0.01 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1a2p n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a2p n ASN 41 N -0.89 4.39 -0.12 1.61 6.94 -1.26 -3.73 115.26 122.21 1a2p n ASN 41 Ca -0.05 -2.79 -0.04 0.00 -0.02 0.00 0.00 54.58 51.68 1a2p n ASN 41 Cb 0.56 -0.55 0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1a2p n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1a2p h LEU 42 N 2.74 -0.18 -1.81 -4.53 5.85 -1.88 -1.35 115.31 114.16 1a2p h LEU 42 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1a2p h LEU 42 Cb 1.50 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 1a2p h LEU 42 CO 0.27 -0.05 -0.01 0.00 -0.34 0.00 0.00 178.44 178.30 1a2p h ALA 43 N 1.36 1.01 0.14 1.25 0.00 -1.84 0.28 119.26 121.46 1a2p h ALA 43 Ca 0.20 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 1a2p h ALA 43 Cb 0.28 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1a2p h ALA 43 CO -0.34 0.02 -1.27 -0.44 0.00 0.00 0.00 179.25 177.22 1a2p h ASP 44 N 0.00 0.71 0.49 0.00 3.32 -1.62 -3.11 116.42 116.21 1a2p h ASP 44 Ca -0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 57.03 56.06 1a2p h ASP 44 Cb 0.40 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.73 1a2p h ASP 44 CO 0.00 1.52 -1.39 -0.37 -1.72 0.00 0.00 179.24 177.28 1a2p h VAL 45 N 0.18 1.34 -2.13 -1.35 -1.51 -0.97 -3.41 116.25 108.41 1a2p h VAL 45 Ca -0.18 -2.90 -0.57 0.00 -1.23 0.00 0.00 66.70 61.82 1a2p h VAL 45 Cb 1.96 2.91 -0.39 0.00 -2.13 0.00 0.00 31.29 33.63 1a2p h VAL 45 CO 0.23 0.86 -1.03 0.00 -1.23 0.00 0.00 177.57 176.40 1a2p n ALA 46 N -2.62 2.67 -1.61 5.19 0.00 0.05 -5.03 120.51 119.16 1a2p n ALA 46 Ca -0.13 -3.45 -0.46 0.00 0.00 0.00 0.00 53.44 49.40 1a2p n ALA 46 Cb 1.05 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1a2p n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1a2p n PRO 47 N 1.74 1.46 -0.63 0.00 -0.02 -1.18 -1.88 135.00 134.50 1a2p n PRO 47 Ca 0.24 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1a2p n PRO 47 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1a2p n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a2p n GLY 48 N 1.81 1.49 3.91 -1.23 0.00 -1.26 -5.04 105.19 104.87 1a2p n GLY 48 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1a2p n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2p s LYS 49 N -0.10 3.62 0.19 1.61 -0.14 -0.79 -4.82 119.74 119.32 1a2p s LYS 49 Ca 0.00 -0.06 0.08 0.00 -1.36 0.00 0.00 55.97 54.63 1a2p s LYS 49 Cb 0.00 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 1a2p s LYS 49 CO 0.00 0.29 -0.16 -1.12 -0.76 0.00 0.00 175.35 173.60 1a2p s SER 50 N -3.01 2.59 0.08 2.83 0.01 0.23 -4.83 113.70 111.60 1a2p s SER 50 Ca 0.43 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.45 1a2p s SER 50 Cb -0.11 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1a2p s SER 50 CO 0.28 -0.11 0.94 -0.63 0.41 0.00 0.00 173.24 174.13 1a2p s ILE 51 N -2.57 4.61 -0.23 1.44 -1.09 -1.26 -1.30 121.20 120.80 1a2p s ILE 51 Ca 0.19 2.02 -0.36 0.00 -2.23 0.00 0.00 60.65 60.27 1a2p s ILE 51 Cb -0.03 -4.30 0.15 0.00 -1.58 0.00 0.00 42.46 36.70 1a2p s ILE 51 CO 0.07 0.29 1.28 -0.83 -1.23 0.00 0.00 174.94 174.51 1a2p s GLY 52 N 0.21 -0.24 0.00 6.18 0.00 -0.12 -0.73 107.32 112.62 1a2p s GLY 52 Ca 0.47 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.96 1a2p s GLY 52 CO 0.29 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.60 1a2p n GLY 53 N -0.03 0.57 3.81 0.20 0.00 0.34 -3.36 105.19 106.73 1a2p n GLY 53 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1a2p n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a2p s ASP 54 N -2.08 6.19 0.28 1.61 1.01 -1.24 -4.79 116.67 117.64 1a2p s ASP 54 Ca 0.00 1.76 -0.30 0.00 0.71 0.00 0.00 52.55 54.72 1a2p s ASP 54 Cb 0.00 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 1a2p s ASP 54 CO 0.00 -0.89 1.39 -0.63 0.21 0.00 0.00 175.17 175.26 1a2p s ILE 55 N -2.41 2.69 -0.26 0.77 1.01 -1.26 -1.72 121.20 120.02 1a2p s ILE 55 Ca 0.63 0.61 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 1a2p s ILE 55 Cb -0.14 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1a2p s ILE 55 CO 0.31 0.11 0.01 0.12 0.00 0.00 0.00 174.94 175.49 1a2p s PHE 56 N -0.39 3.07 0.34 3.97 5.36 0.33 -4.82 117.98 125.85 1a2p s PHE 56 Ca 0.56 -1.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.48 1a2p s PHE 56 Cb -0.41 -2.16 0.68 0.00 -0.34 0.00 0.00 43.02 40.79 1a2p s PHE 56 CO 0.47 -0.60 1.94 0.66 -1.46 0.00 0.00 175.22 176.23 1a2p h SER 57 N 8.14 0.73 -1.83 6.13 4.64 -1.95 -3.38 113.55 126.03 1a2p h SER 57 Ca -0.35 0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 60.68 1a2p h SER 57 Cb 1.13 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 1a2p h SER 57 CO 0.59 0.47 -0.36 -3.20 -0.87 0.00 0.00 176.83 173.46 1a2p n ASN 58 N -4.48 -4.56 -0.30 4.97 5.15 -1.26 -4.92 115.26 109.85 1a2p n ASN 58 Ca 0.12 0.06 -0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1a2p n ASN 58 Cb 0.23 -3.64 0.18 0.00 -0.53 0.00 0.00 39.78 36.03 1a2p n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1a2p h ARG 59 N 0.00 1.14 0.00 1.20 -0.00 -2.00 -1.86 114.38 112.86 1a2p h ARG 59 Ca -0.34 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 1a2p h ARG 59 Cb 1.20 -0.26 0.00 0.00 0.00 0.00 0.00 29.97 30.91 1a2p h ARG 59 CO 0.42 0.76 0.00 0.39 0.00 0.00 0.00 179.97 181.54 1a2p n GLU 60 N -4.41 0.16 -1.23 0.04 1.02 -1.26 -4.87 120.64 110.08 1a2p n GLU 60 Ca 0.11 0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 57.60 1a2p n GLU 60 Cb 0.05 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 1a2p n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a2p n GLY 61 N -0.17 0.97 0.25 0.62 0.00 -0.70 -4.92 105.19 101.24 1a2p n GLY 61 Ca 0.02 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.59 1a2p n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2p h LYS 62 N 0.06 0.00 -6.16 1.61 1.57 -1.90 -3.44 116.57 108.32 1a2p h LYS 62 Ca -0.16 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.97 1a2p h LYS 62 Cb 0.55 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.76 1a2p h LYS 62 CO 0.23 0.09 -0.61 -0.51 -0.57 0.00 0.00 179.45 178.09 1a2p s LEU 63 N -6.39 3.76 0.24 2.94 1.43 -1.26 -4.94 118.68 114.46 1a2p s LEU 63 Ca 0.02 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 1a2p s LEU 63 Cb 0.09 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 1a2p s LEU 63 CO 0.60 0.20 1.37 -2.16 0.23 0.00 0.00 176.35 176.60 1a2p s PRO 64 N -2.16 4.32 0.33 1.29 0.04 -1.26 -5.03 135.00 132.54 1a2p s PRO 64 Ca 0.27 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.55 1a2p s PRO 64 Cb -0.12 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1a2p s PRO 64 CO 0.19 -0.33 0.47 0.20 0.04 0.00 0.00 177.00 177.57 1a2p s GLY 65 N 0.25 1.49 -0.22 0.56 0.00 -1.26 -5.09 107.32 103.05 1a2p s GLY 65 Ca 0.57 -1.33 -0.27 0.00 0.00 0.00 0.00 44.72 43.69 1a2p s GLY 65 CO 0.42 -1.26 0.99 1.25 0.00 0.00 0.00 173.10 174.50 1a2p s LYS 66 N -4.18 0.59 0.04 2.90 2.20 -1.26 -5.08 119.74 114.94 1a2p s LYS 66 Ca 0.43 0.42 -0.34 0.00 -0.36 0.00 0.00 55.97 56.12 1a2p s LYS 66 Cb -0.09 0.28 -0.13 0.00 -1.51 0.00 0.00 37.83 36.38 1a2p s LYS 66 CO 0.32 -0.13 1.74 0.43 -0.36 0.00 0.00 175.35 177.35 1a2p n SER 67 N 1.58 3.33 0.00 1.43 7.64 -1.26 -1.34 113.62 125.00 1a2p n SER 67 Ca -0.12 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1a2p n SER 67 Cb 0.57 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1a2p n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a2p n GLY 68 N 3.93 1.10 3.72 0.23 0.00 -1.26 -5.03 105.19 107.88 1a2p n GLY 68 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1a2p n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a2p s ARG 69 N -0.30 4.37 0.20 1.61 3.52 -0.45 -4.94 118.95 122.96 1a2p s ARG 69 Ca 0.00 0.60 0.10 0.00 -0.13 0.00 0.00 55.73 56.30 1a2p s ARG 69 Cb 0.00 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 1a2p s ARG 69 CO 0.00 0.13 -0.14 0.95 -0.81 0.00 0.00 175.30 175.43 1a2p s THR 70 N 0.68 2.91 0.06 4.11 -4.23 -1.26 -4.79 115.64 113.12 1a2p s THR 70 Ca 0.30 -1.84 0.09 0.00 -1.18 0.00 0.00 61.69 59.06 1a2p s THR 70 Cb -0.16 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 1a2p s THR 70 CO 0.13 -0.15 -0.22 0.26 -0.54 0.00 0.00 174.62 174.10 1a2p s TRP 71 N -1.79 2.44 0.18 3.99 0.52 -1.26 -1.31 118.94 121.70 1a2p s TRP 71 Ca 0.24 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 56.07 1a2p s TRP 71 Cb -0.08 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.80 1a2p s TRP 71 CO 0.14 0.23 -0.04 1.03 0.02 0.00 0.00 176.95 178.33 1a2p s ARG 72 N -1.53 1.14 0.25 4.98 0.52 -0.29 -0.51 118.95 123.51 1a2p s ARG 72 Ca 0.14 -1.53 0.07 0.00 -0.52 0.00 0.00 55.73 53.89 1a2p s ARG 72 Cb -0.10 -0.49 -0.05 0.00 0.52 0.00 0.00 34.95 34.83 1a2p s ARG 72 CO 0.05 -0.04 -0.10 -1.83 0.02 0.00 0.00 175.30 173.39 1a2p s GLU 73 N -3.84 1.47 -0.11 3.54 -1.05 -0.70 -0.97 118.70 117.06 1a2p s GLU 73 Ca 0.22 -1.71 -0.18 0.00 -0.15 0.00 0.00 54.97 53.15 1a2p s GLU 73 Cb 0.05 -1.19 0.04 0.00 -0.44 0.00 0.00 34.13 32.59 1a2p s GLU 73 CO 0.04 0.12 0.45 0.00 0.95 0.00 0.00 175.26 176.81 1a2p s ALA 74 N -2.96 -1.12 0.33 -0.84 0.00 -0.36 -0.51 121.76 116.31 1a2p s ALA 74 Ca 0.27 1.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 1a2p s ALA 74 Cb 0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 1a2p s ALA 74 CO 0.10 -0.25 1.13 -0.51 0.00 0.00 0.00 175.76 176.22 1a2p s ASP 75 N -0.46 6.97 0.11 0.00 1.11 0.09 -0.84 116.67 123.64 1a2p s ASP 75 Ca -0.06 2.29 0.09 0.00 0.18 0.00 0.00 52.55 55.05 1a2p s ASP 75 Cb -0.03 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1a2p s ASP 75 CO 0.03 -0.36 -0.23 -0.63 1.18 0.00 0.00 175.17 175.16 1a2p s ILE 76 N -1.30 1.93 -1.52 0.77 -1.09 -0.81 -4.74 121.20 114.44 1a2p s ILE 76 Ca 0.50 -1.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.32 1a2p s ILE 76 Cb -0.31 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 1a2p s ILE 76 CO 0.39 0.03 0.00 0.59 -1.23 0.00 0.00 174.94 174.72 1a2p n ASN 77 N 1.08 -4.73 -4.72 3.58 3.02 -0.04 -4.58 115.26 108.88 1a2p n ASN 77 Ca -0.19 0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 1a2p n ASN 77 Cb 0.53 -3.53 -0.05 0.00 -0.61 0.00 0.00 39.78 36.12 1a2p n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1a2p s TYR 78 N -2.55 3.61 0.00 3.10 5.04 -1.26 -4.93 117.35 120.36 1a2p s TYR 78 Ca 0.00 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 1a2p s TYR 78 Cb 0.00 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.50 1a2p s TYR 78 CO 0.00 0.12 0.00 0.25 -1.34 0.00 0.00 175.55 174.58 1a2p n THR 79 N 3.60 0.00 -3.85 4.34 -2.24 -1.26 -4.94 114.28 109.93 1a2p n THR 79 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1a2p n THR 79 Cb 0.51 -1.34 -0.01 0.00 -2.10 0.00 0.00 70.33 67.38 1a2p n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a2p s SER 80 N -4.88 -0.22 0.00 3.42 1.04 -1.26 -4.76 113.70 107.04 1a2p s SER 80 Ca 0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1a2p s SER 80 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1a2p s SER 80 CO 0.00 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1a2p n GLY 81 N -0.47 -1.11 3.73 7.32 0.00 -1.24 -4.89 105.19 108.52 1a2p n GLY 81 Ca -0.05 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1a2p n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a2p s PHE 82 N 0.00 2.06 0.52 1.61 0.08 -1.25 -4.47 117.98 116.53 1a2p s PHE 82 Ca 0.00 1.54 -0.23 0.00 0.12 0.00 0.00 56.93 58.37 1a2p s PHE 82 Cb 0.00 -3.59 -0.06 0.00 -0.57 0.00 0.00 43.02 38.80 1a2p s PHE 82 CO 0.00 -2.78 1.37 1.03 -0.10 0.00 0.00 175.22 174.74 1a2p s ARG 83 N -3.62 3.28 0.00 0.44 0.52 -1.26 -5.01 118.95 113.30 1a2p s ARG 83 Ca 0.79 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 58.27 1a2p s ARG 83 Cb -0.34 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 32.78 1a2p s ARG 83 CO 0.42 -1.09 0.00 0.27 0.02 0.00 0.00 175.30 174.92 1a2p n ASN 84 N -0.82 0.00 -0.71 0.23 0.23 -1.26 -5.02 115.26 107.91 1a2p n ASN 84 Ca 0.09 -0.61 0.13 0.00 -0.53 0.00 0.00 54.58 53.66 1a2p n ASN 84 Cb 0.44 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.48 1a2p n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1a2p n SER 85 N -1.82 2.20 -4.72 0.53 3.41 -1.26 -4.93 113.62 107.02 1a2p n SER 85 Ca 0.00 -1.74 -0.35 0.00 -0.26 0.00 0.00 58.87 56.52 1a2p n SER 85 Cb 0.00 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 1a2p n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1a2p s ASP 86 N -1.91 6.20 0.00 4.04 1.01 -1.26 -2.03 116.67 122.72 1a2p s ASP 86 Ca 0.34 0.22 -0.05 0.00 0.71 0.00 0.00 52.55 53.77 1a2p s ASP 86 Cb 0.20 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 42.04 1a2p s ASP 86 CO 0.31 0.17 0.09 -0.13 0.21 0.00 0.00 175.17 175.82 1a2p s ARG 87 N 0.42 0.41 -0.19 8.23 1.81 -0.16 -1.92 118.95 127.54 1a2p s ARG 87 Ca 0.08 -0.42 -0.09 0.00 -1.72 0.00 0.00 55.73 53.58 1a2p s ARG 87 Cb -0.11 0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.51 1a2p s ARG 87 CO -0.01 -0.09 0.10 -1.50 -0.68 0.00 0.00 175.30 173.12 1a2p s ILE 88 N -1.31 5.16 -0.18 1.52 2.07 -0.02 -1.56 121.20 126.89 1a2p s ILE 88 Ca -0.14 0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.16 1a2p s ILE 88 Cb -0.08 -3.34 -0.02 0.00 0.13 0.00 0.00 42.46 39.15 1a2p s ILE 88 CO 0.01 0.46 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.70 1a2p s LEU 89 N 0.31 3.13 -0.01 8.50 2.01 0.18 -1.22 118.68 131.57 1a2p s LEU 89 Ca 0.06 -0.23 0.04 0.00 0.01 0.00 0.00 54.13 54.02 1a2p s LEU 89 Cb -0.12 -1.77 -0.01 0.00 0.01 0.00 0.00 46.19 44.30 1a2p s LEU 89 CO -0.01 0.10 -0.13 -0.72 1.01 0.00 0.00 176.35 176.59 1a2p s TYR 90 N 0.79 1.20 0.45 0.29 1.13 -0.14 -0.85 117.35 120.22 1a2p s TYR 90 Ca -0.01 -0.23 0.05 0.00 -1.41 0.00 0.00 57.07 55.47 1a2p s TYR 90 Cb -0.14 -0.77 0.01 0.00 -1.10 0.00 0.00 41.96 39.96 1a2p s TYR 90 CO 0.02 -0.02 0.63 -1.54 -2.51 0.00 0.00 175.55 172.13 1a2p s SER 91 N -0.30 5.58 0.36 -0.18 1.04 -0.64 -1.13 113.70 118.43 1a2p s SER 91 Ca 0.05 -0.22 0.27 0.00 0.48 0.00 0.00 55.95 56.53 1a2p s SER 91 Cb -0.05 -0.84 1.19 0.00 0.10 0.00 0.00 66.02 66.42 1a2p s SER 91 CO -0.00 -0.85 1.81 0.77 0.98 0.00 0.00 173.24 175.95 1a2p h SER 92 N 0.47 0.00 -0.39 7.02 4.64 -1.55 -1.28 113.55 122.46 1a2p h SER 92 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1a2p h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1a2p h SER 92 CO 0.49 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.55 1a2p n ASP 93 N -2.49 3.75 -1.14 4.97 5.75 -1.26 -4.99 116.55 121.14 1a2p n ASP 93 Ca 0.01 -2.48 -0.10 0.00 -0.01 0.00 0.00 54.79 52.21 1a2p n ASP 93 Cb 0.21 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1a2p n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1a2p n TRP 94 N 0.30 -0.49 -2.54 2.11 7.02 -0.48 -5.03 117.44 118.34 1a2p n TRP 94 Ca 0.19 0.01 -0.40 0.00 -1.02 0.00 0.00 57.50 56.27 1a2p n TRP 94 Cb 0.71 -2.41 -0.04 0.00 -2.42 0.00 0.00 31.31 27.15 1a2p n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1a2p s LEU 95 N -2.85 4.55 -0.12 -0.99 1.43 -1.26 -4.85 118.68 114.58 1a2p s LEU 95 Ca 0.01 2.16 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1a2p s LEU 95 Cb -0.00 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1a2p s LEU 95 CO 0.01 -0.11 -0.14 -0.63 0.23 0.00 0.00 176.35 175.70 1a2p s ILE 96 N -0.88 1.50 0.25 -0.59 -1.09 -1.26 -1.62 121.20 117.51 1a2p s ILE 96 Ca 0.45 -0.62 0.09 0.00 -2.23 0.00 0.00 60.65 58.34 1a2p s ILE 96 Cb -0.30 -1.39 -0.05 0.00 -1.58 0.00 0.00 42.46 39.14 1a2p s ILE 96 CO 0.38 0.44 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.07 1a2p s TYR 97 N 1.20 1.98 0.16 3.97 1.51 -0.03 -1.13 117.35 125.01 1a2p s TYR 97 Ca -0.02 -0.49 0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1a2p s TYR 97 Cb -0.14 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1a2p s TYR 97 CO -0.05 0.50 -0.17 -1.59 -1.11 0.00 0.00 175.55 173.13 1a2p s LYS 98 N -3.60 1.21 0.00 -0.62 -2.85 0.00 -0.65 119.74 113.23 1a2p s LYS 98 Ca 0.26 -1.38 0.02 0.00 -1.00 0.00 0.00 55.97 53.87 1a2p s LYS 98 Cb -0.02 -1.19 -0.01 0.00 -2.06 0.00 0.00 37.83 34.55 1a2p s LYS 98 CO 0.11 0.24 -0.06 -0.08 0.10 0.00 0.00 175.35 175.66 1a2p s THR 99 N -2.16 0.44 -0.05 3.79 -1.32 -0.60 -1.04 115.64 114.69 1a2p s THR 99 Ca 0.14 -0.32 0.07 0.00 -1.21 0.00 0.00 61.69 60.38 1a2p s THR 99 Cb -0.05 -0.39 0.11 0.00 -1.51 0.00 0.00 72.50 70.67 1a2p s THR 99 CO 0.06 0.07 1.01 0.35 -2.21 0.00 0.00 174.62 173.89 1a2p n THR 100 N 2.79 1.16 -2.68 5.08 -2.24 -1.26 -0.99 114.28 116.13 1a2p n THR 100 Ca -0.14 -1.31 -0.06 0.00 -2.27 0.00 0.00 64.05 60.28 1a2p n THR 100 Cb 0.58 0.26 0.04 0.00 -2.10 0.00 0.00 70.33 69.11 1a2p n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a2p n ASP 101 N -0.77 2.14 -3.53 3.42 5.68 -1.18 -4.65 116.55 117.67 1a2p n ASP 101 Ca 0.06 -2.42 -0.19 0.00 -0.50 0.00 0.00 54.79 51.74 1a2p n ASP 101 Cb 0.47 -0.47 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 1a2p n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1a2p n HIS 102 N -0.54 -2.27 -1.19 2.11 8.25 -0.86 -2.90 115.22 117.82 1a2p n HIS 102 Ca 0.14 0.94 -0.07 0.00 -0.26 0.00 0.00 57.72 58.47 1a2p n HIS 102 Cb 0.82 -4.92 -0.03 0.00 1.12 0.00 0.00 29.99 26.99 1a2p n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a2p n TYR 103 N -4.33 0.00 0.09 4.41 4.01 -1.26 -4.90 117.16 115.18 1a2p n TYR 103 Ca -0.23 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.28 1a2p n TYR 103 Cb 0.65 -1.53 -0.15 0.00 -0.31 0.00 0.00 39.34 37.99 1a2p n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1a2p h GLN 104 N 0.15 0.43 -5.03 -0.72 4.20 -1.95 -3.47 115.11 108.72 1a2p h GLN 104 Ca -0.14 -0.73 -0.38 0.00 0.06 0.00 0.00 58.65 57.46 1a2p h GLN 104 Cb 0.54 0.27 -0.23 0.00 0.30 0.00 0.00 27.48 28.36 1a2p h GLN 104 CO 0.20 1.35 -0.77 0.95 -0.67 0.00 0.00 178.83 179.89 1a2p s THR 105 N -2.55 0.89 0.06 -0.54 -4.23 -1.26 -5.12 115.64 102.89 1a2p s THR 105 Ca -0.13 -1.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.40 1a2p s THR 105 Cb 0.04 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 73.00 1a2p s THR 105 CO 0.88 -0.15 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.29 1a2p s PHE 106 N -1.04 1.39 -0.04 3.99 0.08 -1.26 -4.43 117.98 116.66 1a2p s PHE 106 Ca -0.02 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.65 1a2p s PHE 106 Cb -0.08 -0.80 0.01 0.00 -0.57 0.00 0.00 43.02 41.58 1a2p s PHE 106 CO 0.01 0.08 -0.10 0.99 -0.10 0.00 0.00 175.22 176.10 1a2p s THR 107 N -1.04 0.89 0.11 0.64 2.01 -0.21 -4.96 115.64 113.08 1a2p s THR 107 Ca 0.02 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1a2p s THR 107 Cb -0.09 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 1a2p s THR 107 CO 0.02 0.29 1.09 -0.75 -0.69 0.00 0.00 174.62 174.58 1a2p s LYS 108 N 0.47 4.56 0.00 4.92 2.20 -1.26 -0.82 119.74 129.81 1a2p s LYS 108 Ca -0.08 1.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1a2p s LYS 108 Cb -0.12 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1a2p s LYS 108 CO 0.02 -0.01 0.17 0.44 -0.36 0.00 0.00 175.35 175.61 1a2p n ILE 109 N 3.07 0.00 -1.20 5.43 -5.35 -0.28 -4.94 119.36 116.08 1a2p n ILE 109 Ca 0.05 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1a2p n ILE 109 Cb 0.47 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 1a2p n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33