#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wel n GLN 4 N 0.00 1.78 -3.15 -1.24 10.64 -1.26 -4.89 117.38 119.26 2wel n GLN 4 Ca 0.00 -1.15 -0.32 0.00 -1.83 0.00 0.00 57.00 53.71 2wel n GLN 4 Cb 0.00 -1.46 -0.05 0.00 -0.86 0.00 0.00 30.24 27.87 2wel n GLN 4 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2wel s LEU 5 N -1.86 4.04 0.80 2.61 1.43 -1.26 -5.09 118.68 119.34 2wel s LEU 5 Ca 0.36 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 2wel s LEU 5 Cb 0.20 -3.96 0.07 0.00 0.03 0.00 0.00 46.19 42.53 2wel s LEU 5 CO 0.31 -0.22 1.09 0.42 0.23 0.00 0.00 176.35 178.18 2wel s THR 6 N -2.03 3.22 0.24 5.49 -4.23 -1.26 -4.87 115.64 112.19 2wel s THR 6 Ca 0.52 0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 2wel s THR 6 Cb -0.10 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.93 2wel s THR 6 CO 0.22 -0.52 1.86 1.05 -0.54 0.00 0.00 174.62 176.69 2wel h GLU 7 N -1.14 0.98 -0.48 3.99 9.09 -1.98 -0.82 114.58 124.21 2wel h GLU 7 Ca -0.46 -0.06 -0.12 0.00 0.05 0.00 0.00 59.36 58.76 2wel h GLU 7 Cb 1.25 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 28.12 2wel h GLU 7 CO 0.56 0.65 -0.19 1.49 0.05 0.00 0.00 179.01 181.56 2wel h GLU 8 N 1.01 0.97 -0.58 1.06 4.57 -1.99 -0.66 114.58 118.96 2wel h GLU 8 Ca 0.36 -0.39 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2wel h GLU 8 Cb 0.11 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 2wel h GLU 8 CO -0.15 1.06 0.34 1.96 -1.18 0.00 0.00 179.01 181.04 2wel h GLN 9 N 0.84 0.64 -0.31 1.92 4.20 -1.86 -0.64 115.11 119.90 2wel h GLN 9 Ca 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2wel h GLN 9 Cb 0.76 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2wel h GLN 9 CO 0.06 0.43 0.19 0.82 -0.67 0.00 0.00 178.83 179.66 2wel h ILE 10 N 0.66 1.10 -0.75 2.54 2.04 -0.85 -2.10 117.51 120.14 2wel h ILE 10 Ca 0.24 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.95 2wel h ILE 10 Cb 0.06 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2wel h ILE 10 CO -0.12 0.10 0.44 0.00 0.00 0.00 0.00 178.15 178.56 2wel h ALA 11 N 1.08 1.03 -0.79 1.87 0.00 -0.80 0.27 119.26 121.93 2wel h ALA 11 Ca 0.11 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wel h ALA 11 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2wel h ALA 11 CO -0.02 0.12 0.52 0.93 0.00 0.00 0.00 179.25 180.80 2wel h GLU 12 N 0.78 1.02 -0.00 0.00 5.08 -0.95 -0.47 114.58 120.03 2wel h GLU 12 Ca 0.34 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2wel h GLU 12 Cb 0.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2wel h GLU 12 CO -0.20 0.67 -0.59 0.74 -1.00 0.00 0.00 179.01 178.64 2wel h PHE 13 N 1.05 0.02 -0.43 4.33 0.04 -0.66 -2.06 116.94 119.23 2wel h PHE 13 Ca 0.30 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.97 2wel h PHE 13 Cb -0.09 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2wel h PHE 13 CO -0.02 0.60 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.96 2wel h LYS 14 N 0.01 0.77 -0.27 1.51 1.63 -0.46 -0.16 116.57 119.60 2wel h LYS 14 Ca -0.01 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 2wel h LYS 14 Cb 1.04 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2wel h LYS 14 CO 0.08 0.85 0.13 1.49 -3.45 0.00 0.00 179.45 178.55 2wel h GLU 15 N 0.70 0.39 -0.50 1.90 4.57 -0.81 -0.89 114.58 119.94 2wel h GLU 15 Ca 0.12 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2wel h GLU 15 Cb 0.59 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2wel h GLU 15 CO 0.04 0.38 0.30 0.00 -1.18 0.00 0.00 179.01 178.54 2wel h ALA 16 N 0.99 0.64 -0.92 2.92 0.00 -1.19 -2.42 119.26 119.28 2wel h ALA 16 Ca 0.09 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2wel h ALA 16 Cb 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2wel h ALA 16 CO -0.01 -0.01 0.57 0.35 0.00 0.00 0.00 179.25 180.15 2wel h PHE 17 N 0.59 1.04 0.00 0.00 3.57 -0.74 -2.07 116.94 119.33 2wel h PHE 17 Ca 0.20 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2wel h PHE 17 Cb 0.03 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2wel h PHE 17 CO -0.07 0.47 -0.33 0.66 -2.23 0.00 0.00 178.31 176.81 2wel h SER 18 N 0.97 0.00 0.07 0.41 4.64 -0.67 -0.82 113.55 118.15 2wel h SER 18 Ca 0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.66 2wel h SER 18 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2wel h SER 18 CO -0.22 0.33 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.72 2wel h LEU 19 N 0.00 0.34 0.11 5.97 3.38 -1.15 -3.21 115.31 120.74 2wel h LEU 19 Ca -0.00 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 2wel h LEU 19 Cb 0.64 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.32 2wel h LEU 19 CO 0.04 0.62 -0.71 -0.26 0.09 0.00 0.00 178.44 178.22 2wel h PHE 20 N 0.30 0.51 -0.52 1.13 0.04 -1.26 -3.40 116.94 113.73 2wel h PHE 20 Ca 0.04 -0.35 -0.65 0.00 2.80 0.00 0.00 57.97 59.81 2wel h PHE 20 Cb 0.66 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.73 2wel h PHE 20 CO 0.02 1.25 2.37 -3.47 -0.60 0.00 0.00 178.31 177.88 2wel n ASP 21 N -4.18 4.31 -0.24 2.17 2.03 -0.39 -4.65 116.55 115.60 2wel n ASP 21 Ca -0.13 -2.86 -0.01 0.00 0.52 0.00 0.00 54.79 52.31 2wel n ASP 21 Cb 0.77 -1.69 0.20 0.00 -0.72 0.00 0.00 41.12 39.68 2wel n ASP 21 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2wel h LYS 22 N 7.34 1.04 -0.10 -0.67 1.79 -1.79 -2.02 116.57 122.16 2wel h LYS 22 Ca 0.46 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2wel h LYS 22 Cb 0.80 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2wel h LYS 22 CO 1.59 0.73 0.00 -0.40 -1.08 0.00 0.00 179.45 180.29 2wel n ASP 23 N -4.39 1.78 -1.48 0.86 3.85 -1.26 -4.95 116.55 110.97 2wel n ASP 23 Ca 0.08 -1.65 -0.16 0.00 -0.71 0.00 0.00 54.79 52.35 2wel n ASP 23 Cb 0.06 -0.06 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 2wel n ASP 23 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wel n GLY 24 N 1.19 0.83 0.40 6.12 0.00 -0.76 -4.89 105.19 108.08 2wel n GLY 24 Ca 0.18 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2wel n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wel n ASP 25 N -0.78 1.21 0.00 1.61 5.75 -1.26 -4.92 116.55 118.15 2wel n ASP 25 Ca -0.17 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 2wel n ASP 25 Cb 0.58 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2wel n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wel n GLY 26 N 1.07 0.61 3.07 6.12 0.00 -1.26 -5.05 105.19 109.75 2wel n GLY 26 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2wel n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wel s THR 27 N -2.02 0.31 -0.20 2.61 -4.23 -1.26 -4.22 115.64 106.63 2wel s THR 27 Ca 0.00 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2wel s THR 27 Cb 0.00 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 2wel s THR 27 CO 0.00 -0.74 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.68 2wel s ILE 28 N -2.78 3.68 0.59 2.99 1.01 0.50 -4.68 121.20 122.50 2wel s ILE 28 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2wel s ILE 28 Cb -0.00 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.85 2wel s ILE 28 CO -0.05 0.44 0.83 0.42 0.00 0.00 0.00 174.94 176.58 2wel s THR 29 N 1.05 2.59 0.22 2.92 -4.23 -1.26 -0.82 115.64 116.12 2wel s THR 29 Ca 0.01 -0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.87 2wel s THR 29 Cb -0.15 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 70.88 2wel s THR 29 CO 0.01 -0.00 1.89 0.74 -0.54 0.00 0.00 174.62 176.71 2wel h THR 30 N -0.08 1.18 -0.51 3.99 2.02 -1.94 -0.42 112.91 117.15 2wel h THR 30 Ca -0.43 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 2wel h THR 30 Cb 1.30 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2wel h THR 30 CO 0.54 0.20 -0.01 0.50 0.37 0.00 0.00 175.52 177.12 2wel h LYS 31 N 1.09 0.91 -0.26 6.66 3.64 -1.98 -0.91 116.57 125.72 2wel h LYS 31 Ca 0.32 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2wel h LYS 31 Cb -0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2wel h LYS 31 CO -0.08 0.94 0.13 0.93 -2.27 0.00 0.00 179.45 179.09 2wel h GLU 32 N 0.77 0.26 -0.09 1.90 5.08 -1.81 -0.16 114.58 120.53 2wel h GLU 32 Ca 0.14 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2wel h GLU 32 Cb 0.54 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2wel h GLU 32 CO 0.03 0.17 -0.14 1.25 -1.00 0.00 0.00 179.01 179.33 2wel h LEU 33 N 0.27 -0.42 -1.08 1.33 5.85 -0.87 -2.41 115.31 117.98 2wel h LEU 33 Ca 0.11 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.98 2wel h LEU 33 Cb 0.03 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2wel h LEU 33 CO -0.07 -0.18 0.62 1.23 -0.34 0.00 0.00 178.44 179.69 2wel h GLY 34 N -0.18 1.46 0.98 3.75 0.00 -0.93 -1.67 103.07 106.47 2wel h GLY 34 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2wel h GLY 34 CO -0.20 0.27 0.15 -0.84 0.00 0.00 0.00 176.54 175.92 2wel h THR 35 N 1.06 1.08 0.07 4.70 2.02 -0.70 -1.26 112.91 119.88 2wel h THR 35 Ca 0.43 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 2wel h THR 35 Cb 0.28 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2wel h THR 35 CO -0.18 0.08 -0.03 0.58 0.37 0.00 0.00 175.52 176.33 2wel h VAL 36 N 0.30 0.97 -0.12 3.16 2.07 -1.21 -0.47 116.25 120.94 2wel h VAL 36 Ca 0.08 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2wel h VAL 36 Cb -0.00 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2wel h VAL 36 CO -0.02 0.03 -0.16 0.24 0.02 0.00 0.00 177.57 177.68 2wel h MET 37 N -0.15 -0.19 -0.35 1.57 2.86 -1.14 -1.69 114.93 115.83 2wel h MET 37 Ca -0.01 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2wel h MET 37 Cb 0.12 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2wel h MET 37 CO 0.02 -0.13 -0.20 0.00 1.06 0.00 0.00 176.91 177.66 2wel h ARG 38 N -0.20 0.67 0.00 1.72 3.08 -1.22 -0.08 114.38 118.34 2wel h ARG 38 Ca 0.09 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2wel h ARG 38 Cb 0.34 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2wel h ARG 38 CO -0.24 0.82 -0.03 0.66 -1.07 0.00 0.00 179.97 180.10 2wel h SER 39 N 0.59 0.00 -0.53 7.04 4.64 -0.44 -1.50 113.55 123.35 2wel h SER 39 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2wel h SER 39 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2wel h SER 39 CO 0.05 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 2wel n LEU 40 N -3.44 4.73 -0.22 5.97 4.77 -0.55 -4.73 117.00 123.53 2wel n LEU 40 Ca -0.02 -2.65 -0.03 0.00 -0.03 0.00 0.00 56.01 53.28 2wel n LEU 40 Cb 0.15 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 2wel n LEU 40 CO 0.26 0.73 -0.03 0.61 -1.33 0.00 0.00 177.39 177.63 2wel n GLY 41 N 0.64 0.61 3.88 -0.72 0.00 -0.56 -4.98 105.19 104.05 2wel n GLY 41 Ca 0.24 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2wel n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wel s GLN 42 N -1.79 3.59 -0.56 1.61 -1.52 -0.15 -4.99 119.66 115.85 2wel s GLN 42 Ca 0.00 -0.02 0.06 0.00 -1.95 0.00 0.00 55.36 53.45 2wel s GLN 42 Cb 0.00 -3.13 0.33 0.00 -0.22 0.00 0.00 33.01 30.00 2wel s GLN 42 CO 0.00 0.69 0.91 -1.71 -0.25 0.00 0.00 175.29 174.93 2wel n ASN 43 N 1.45 4.02 -4.80 5.90 5.15 -1.26 -3.34 115.26 122.39 2wel n ASN 43 Ca -0.14 -3.59 -0.34 0.00 -0.60 0.00 0.00 54.58 49.91 2wel n ASN 43 Cb 0.53 -0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 39.19 2wel n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wel s PRO 44 N -3.29 3.60 0.89 1.20 0.04 -1.26 -5.03 135.00 131.14 2wel s PRO 44 Ca 0.47 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 2wel s PRO 44 Cb 0.28 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.88 2wel s PRO 44 CO -0.13 -0.60 1.10 0.95 0.04 0.00 0.00 177.00 178.37 2wel s THR 45 N -2.16 2.56 0.23 1.26 -4.23 -1.26 -4.87 115.64 107.17 2wel s THR 45 Ca 0.66 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 61.29 2wel s THR 45 Cb -0.17 -2.79 0.13 0.00 1.34 0.00 0.00 72.50 71.01 2wel s THR 45 CO 0.27 -0.24 1.75 -0.33 -0.54 0.00 0.00 174.62 175.53 2wel h GLU 46 N -1.46 1.03 -0.76 3.99 4.39 -2.00 -1.79 114.58 117.98 2wel h GLU 46 Ca -0.50 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 58.97 2wel h GLU 46 Cb 1.30 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 2wel h GLU 46 CO 0.58 0.92 0.50 0.00 -1.16 0.00 0.00 179.01 179.85 2wel h ALA 47 N 1.17 0.96 -0.68 3.43 0.00 -2.00 -1.98 119.26 120.17 2wel h ALA 47 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wel h ALA 47 Cb 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2wel h ALA 47 CO 0.00 0.38 0.41 0.93 0.00 0.00 0.00 179.25 180.97 2wel h GLU 48 N 1.03 0.93 -0.26 0.00 5.08 -1.87 -1.38 114.58 118.11 2wel h GLU 48 Ca 0.28 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2wel h GLU 48 Cb -0.12 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 2wel h GLU 48 CO -0.06 0.66 0.13 -0.07 -1.00 0.00 0.00 179.01 178.68 2wel h LEU 49 N 0.93 0.33 -0.87 1.33 3.38 -1.13 -1.46 115.31 117.82 2wel h LEU 49 Ca 0.24 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2wel h LEU 49 Cb -0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2wel h LEU 49 CO -0.05 0.34 0.33 -0.61 0.09 0.00 0.00 178.44 178.55 2wel h GLN 50 N 0.30 1.16 -0.64 1.13 5.75 -1.16 -1.75 115.11 119.89 2wel h GLN 50 Ca 0.09 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 2wel h GLN 50 Cb 0.09 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 2wel h GLN 50 CO -0.01 0.92 0.30 -0.44 -2.65 0.00 0.00 178.83 176.95 2wel h ASP 51 N 1.14 0.83 -0.34 -0.69 3.32 -1.09 0.11 116.42 119.70 2wel h ASP 51 Ca 0.27 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2wel h ASP 51 Cb 0.18 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wel h ASP 51 CO -0.03 0.71 0.12 0.24 -1.72 0.00 0.00 179.24 178.56 2wel h MET 52 N 0.91 0.52 0.06 3.56 2.86 -0.71 -0.19 114.93 121.94 2wel h MET 52 Ca 0.22 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2wel h MET 52 Cb 0.11 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2wel h MET 52 CO -0.03 0.53 -0.04 0.82 1.06 0.00 0.00 176.91 179.26 2wel h ILE 53 N 0.39 0.92 -0.91 -1.22 1.08 -0.99 -2.86 117.51 113.92 2wel h ILE 53 Ca 0.11 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 2wel h ILE 53 Cb 0.22 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 2wel h ILE 53 CO -0.01 0.00 0.58 0.78 -0.69 0.00 0.00 178.15 178.82 2wel h ASN 54 N -0.09 0.96 0.00 1.72 2.35 -0.63 0.32 115.58 120.21 2wel h ASN 54 Ca -0.00 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2wel h ASN 54 Cb 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2wel h ASN 54 CO 0.00 0.64 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.25 2wel h GLU 55 N 1.11 0.22 0.00 0.81 4.22 -0.93 -3.22 114.58 116.79 2wel h GLU 55 Ca 0.37 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.72 2wel h GLU 55 Cb 0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2wel h GLU 55 CO -0.14 0.32 -1.83 0.28 -2.18 0.00 0.00 179.01 175.46 2wel n VAL 56 N -4.32 0.31 -2.63 0.32 0.31 -0.93 -4.81 118.33 106.58 2wel n VAL 56 Ca -0.01 -0.55 -0.42 0.00 -0.01 0.00 0.00 64.34 63.35 2wel n VAL 56 Cb 0.23 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 33.00 2wel n VAL 56 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wel s ASP 57 N -4.83 6.64 0.12 4.52 2.15 0.06 -4.80 116.67 120.53 2wel s ASP 57 Ca -0.07 -1.89 -0.24 0.00 0.43 0.00 0.00 52.55 50.79 2wel s ASP 57 Cb 0.12 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.13 2wel s ASP 57 CO 0.88 -1.32 1.67 0.00 -0.17 0.00 0.00 175.17 176.22 2wel h ALA 58 N 8.92 -0.21 -0.00 3.66 0.00 -1.87 -2.93 119.26 126.83 2wel h ALA 58 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wel h ALA 58 Cb 0.97 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wel h ALA 58 CO 1.39 -0.67 -0.05 -0.40 0.00 0.00 0.00 179.25 179.53 2wel n ASP 59 N -5.30 0.15 -0.62 0.00 5.68 -1.26 -4.92 116.55 110.28 2wel n ASP 59 Ca -0.05 -0.24 -0.07 0.00 -0.50 0.00 0.00 54.79 53.93 2wel n ASP 59 Cb 0.22 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2wel n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wel n GLY 60 N 1.30 0.60 0.53 6.12 0.00 -1.11 -4.91 105.19 107.72 2wel n GLY 60 Ca 0.14 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.58 2wel n GLY 60 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wel n ASN 61 N 0.82 1.59 0.00 1.61 6.94 -1.26 -4.95 115.26 120.01 2wel n ASN 61 Ca -0.07 -1.68 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 2wel n ASN 61 Cb 0.35 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 2wel n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wel n GLY 62 N 1.12 0.95 3.16 4.83 0.00 -1.26 -5.04 105.19 108.95 2wel n GLY 62 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2wel n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wel s THR 63 N -2.74 0.10 -0.21 2.61 -4.23 -1.26 -4.66 115.64 105.24 2wel s THR 63 Ca 0.00 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 58.55 2wel s THR 63 Cb 0.00 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 2wel s THR 63 CO 0.00 -0.45 0.02 -0.63 -0.54 0.00 0.00 174.62 173.03 2wel s ILE 64 N -4.05 4.11 0.61 2.99 1.01 0.00 -4.80 121.20 121.06 2wel s ILE 64 Ca 0.24 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.68 2wel s ILE 64 Cb 0.07 -2.88 0.09 0.00 0.01 0.00 0.00 42.46 39.75 2wel s ILE 64 CO 0.02 0.40 0.84 1.51 0.00 0.00 0.00 174.94 177.71 2wel s ASP 65 N 1.15 4.91 0.20 3.58 3.84 -1.26 -0.37 116.67 128.72 2wel s ASP 65 Ca 0.03 -0.52 -0.08 0.00 -0.00 0.00 0.00 52.55 51.98 2wel s ASP 65 Cb -0.14 -0.08 0.12 0.00 -1.38 0.00 0.00 42.92 41.44 2wel s ASP 65 CO 0.02 -1.44 1.73 0.15 -0.00 0.00 0.00 175.17 175.63 2wel h PHE 66 N -0.04 1.20 -0.79 2.11 3.57 -1.99 -0.84 116.94 120.16 2wel h PHE 66 Ca -0.35 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.05 2wel h PHE 66 Cb 1.28 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 2wel h PHE 66 CO 0.19 0.96 0.51 -1.35 -2.23 0.00 0.00 178.31 176.39 2wel h PRO 67 N 1.09 0.98 -0.51 6.41 0.11 -1.96 0.26 132.00 138.38 2wel h PRO 67 Ca 0.23 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 2wel h PRO 67 Cb 0.34 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 2wel h PRO 67 CO -0.00 0.65 0.18 0.93 -0.21 0.00 0.00 178.00 179.55 2wel h GLU 68 N 1.01 0.78 -0.78 1.05 5.08 -1.83 -1.23 114.58 118.66 2wel h GLU 68 Ca 0.31 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2wel h GLU 68 Cb -0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2wel h GLU 68 CO -0.10 0.71 0.40 0.35 -1.00 0.00 0.00 179.01 179.37 2wel h PHE 69 N 0.70 1.09 0.45 4.33 3.57 -0.77 -2.73 116.94 123.57 2wel h PHE 69 Ca 0.17 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2wel h PHE 69 Cb 0.24 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2wel h PHE 69 CO 0.01 0.78 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.59 2wel h LEU 70 N 1.09 -0.51 -1.47 0.59 3.38 -0.25 -3.21 115.31 114.93 2wel h LEU 70 Ca 0.27 0.02 0.33 0.00 0.09 0.00 0.00 57.88 58.59 2wel h LEU 70 Cb 0.07 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 2wel h LEU 70 CO -0.04 -0.32 0.76 0.74 0.09 0.00 0.00 178.44 179.67 2wel h THR 71 N -0.69 0.38 0.45 0.22 2.02 -1.26 0.65 112.91 114.68 2wel h THR 71 Ca -0.06 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2wel h THR 71 Cb 0.46 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2wel h THR 71 CO 0.10 0.04 -0.45 -0.03 0.37 0.00 0.00 175.52 175.55 2wel h MET 72 N 0.25 -0.88 -0.13 6.66 1.85 -1.53 -2.89 114.93 118.26 2wel h MET 72 Ca 0.66 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.81 2wel h MET 72 Cb 1.95 0.20 0.00 0.00 0.43 0.00 0.00 31.60 34.18 2wel h MET 72 CO -0.29 -0.59 0.00 -1.33 -0.40 0.00 0.00 176.91 174.30 2wel n MET 73 N -5.53 1.50 0.00 0.39 2.81 0.20 -1.42 117.12 115.05 2wel n MET 73 Ca -0.11 -0.75 0.09 0.00 -1.81 0.00 0.00 57.70 55.12 2wel n MET 73 Cb 0.43 -1.33 0.53 0.00 -0.71 0.00 0.00 33.22 32.15 2wel n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wel n ALA 74 N -0.01 2.53 -2.19 3.04 0.00 0.57 -4.77 120.51 119.68 2wel n ALA 74 Ca 0.14 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2wel n ALA 74 Cb 0.23 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 2wel n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2wel s ARG 75 N -2.00 3.54 -1.34 0.00 3.03 -0.51 -4.92 118.95 116.75 2wel s ARG 75 Ca 0.27 1.23 -0.17 0.00 2.03 0.00 0.00 55.73 59.09 2wel s ARG 75 Cb 0.12 -4.08 0.07 0.00 -1.03 0.00 0.00 34.95 30.03 2wel s ARG 75 CO 0.21 -1.61 1.85 1.63 -1.13 0.00 0.00 175.30 176.25 2wel n LYS 76 N 8.11 3.12 -1.37 3.89 5.02 -1.26 -4.97 118.16 130.70 2wel n LYS 76 Ca 0.19 -3.13 -0.30 0.00 -2.02 0.00 0.00 58.31 53.05 2wel n LYS 76 Cb 0.47 -3.43 0.23 0.00 -0.02 0.00 0.00 35.03 32.29 2wel n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wel n MET 77 N 7.69 -2.45 -1.32 1.97 0.00 -1.26 -5.00 117.12 116.75 2wel n MET 77 Ca 0.49 -1.87 -0.35 0.00 0.00 0.00 0.00 57.70 55.98 2wel n MET 77 Cb 0.44 -1.54 0.10 0.00 0.00 0.00 0.00 33.22 32.22 2wel n MET 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2wel n LYS 78 N -4.46 0.48 0.11 3.17 5.02 -1.26 -4.89 118.16 116.34 2wel n LYS 78 Ca 0.16 0.23 -0.04 0.00 -2.02 0.00 0.00 58.31 56.64 2wel n LYS 78 Cb 0.58 -2.37 0.12 0.00 -0.02 0.00 0.00 35.03 33.34 2wel n LYS 78 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2wel h ASP 79 N -0.39 0.12 -0.08 4.39 1.82 -2.00 -2.51 116.42 117.78 2wel h ASP 79 Ca -0.48 -0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 55.97 2wel h ASP 79 Cb 1.32 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 2wel h ASP 79 CO 0.47 0.75 -0.32 0.00 -1.61 0.00 0.00 179.24 178.53 2wel h THR 80 N 0.07 1.28 -0.50 2.25 1.03 -2.00 -2.00 112.91 113.05 2wel h THR 80 Ca -0.01 -1.43 -0.12 0.00 -0.01 0.00 0.00 66.41 64.84 2wel h THR 80 Cb 1.18 1.43 -0.01 0.00 -1.07 0.00 0.00 68.15 69.67 2wel h THR 80 CO 0.09 0.46 -0.16 0.44 -0.01 0.00 0.00 175.52 176.34 2wel h ASP 81 N 0.48 1.01 -0.54 0.00 5.19 -1.90 -2.17 116.42 118.50 2wel h ASP 81 Ca 0.06 -0.37 -0.11 0.00 -0.62 0.00 0.00 57.03 55.98 2wel h ASP 81 Cb 0.80 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2wel h ASP 81 CO 0.06 1.15 -0.09 0.77 -3.12 0.00 0.00 179.24 178.02 2wel h SER 82 N 0.86 1.01 -0.36 6.45 4.64 -1.42 -1.81 113.55 122.93 2wel h SER 82 Ca 0.12 -0.34 0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2wel h SER 82 Cb 0.73 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 2wel h SER 82 CO 0.06 1.12 0.04 -0.08 -0.87 0.00 0.00 176.83 177.10 2wel h GLU 83 N 0.89 0.15 -0.33 4.77 4.81 -1.33 -1.62 114.58 121.92 2wel h GLU 83 Ca 0.14 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2wel h GLU 83 Cb 0.66 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2wel h GLU 83 CO 0.05 0.10 0.14 1.49 -0.73 0.00 0.00 179.01 180.05 2wel h GLU 84 N 0.15 0.28 -0.27 1.92 4.57 -1.29 -1.46 114.58 118.49 2wel h GLU 84 Ca 0.17 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2wel h GLU 84 Cb 0.22 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2wel h GLU 84 CO -0.25 0.19 0.15 0.93 -1.18 0.00 0.00 179.01 178.85 2wel h GLU 85 N 0.29 0.31 -0.57 1.92 5.08 -1.08 -0.91 114.58 119.61 2wel h GLU 85 Ca 0.14 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2wel h GLU 85 Cb 0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2wel h GLU 85 CO -0.13 0.20 0.36 0.82 -1.00 0.00 0.00 179.01 179.26 2wel h ILE 86 N 0.32 1.16 -0.18 3.13 2.04 -1.14 -0.86 117.51 121.99 2wel h ILE 86 Ca 0.10 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2wel h ILE 86 Cb -0.00 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2wel h ILE 86 CO -0.05 0.17 0.03 -0.09 0.00 0.00 0.00 178.15 178.21 2wel h ARG 87 N 0.77 0.29 -0.55 2.37 2.43 -1.00 -1.29 114.38 117.41 2wel h ARG 87 Ca 0.21 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2wel h ARG 87 Cb -0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2wel h ARG 87 CO -0.04 0.44 0.11 0.93 -1.51 0.00 0.00 179.97 179.90 2wel h GLU 88 N 0.09 0.86 -0.47 0.20 4.39 -1.13 -2.39 114.58 116.12 2wel h GLU 88 Ca 0.05 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.58 2wel h GLU 88 Cb 0.29 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2wel h GLU 88 CO 0.00 0.79 0.30 0.00 -1.16 0.00 0.00 179.01 178.94 2wel h ALA 89 N 1.30 0.60 -0.76 3.43 0.00 -1.04 -2.35 119.26 120.44 2wel h ALA 89 Ca 0.18 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2wel h ALA 89 Cb 0.33 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2wel h ALA 89 CO 0.00 0.02 0.40 0.35 0.00 0.00 0.00 179.25 180.02 2wel h PHE 90 N 0.61 0.71 0.00 0.00 3.57 -0.88 -1.32 116.94 119.63 2wel h PHE 90 Ca 0.18 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2wel h PHE 90 Cb -0.04 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2wel h PHE 90 CO -0.05 0.25 -0.31 0.00 -2.23 0.00 0.00 178.31 175.97 2wel h ARG 91 N 0.65 0.00 -0.34 1.11 3.08 -1.13 -0.51 114.38 117.24 2wel h ARG 91 Ca 0.38 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.38 2wel h ARG 91 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2wel h ARG 91 CO -0.28 0.31 0.00 0.28 -1.07 0.00 0.00 179.97 179.21 2wel h VAL 92 N 0.00 1.26 -0.43 2.04 2.07 -0.72 -3.20 116.25 117.27 2wel h VAL 92 Ca -0.00 -0.97 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 2wel h VAL 92 Cb 0.71 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2wel h VAL 92 CO 0.04 0.32 -0.26 -0.26 0.02 0.00 0.00 177.57 177.43 2wel h PHE 93 N 0.41 1.08 -1.16 1.57 0.04 -0.95 -3.37 116.94 114.56 2wel h PHE 93 Ca 0.10 -0.28 -0.73 0.00 2.80 0.00 0.00 57.97 59.85 2wel h PHE 93 Cb 0.45 -0.24 -0.12 0.00 2.20 0.00 0.00 35.95 38.23 2wel h PHE 93 CO 0.04 1.09 2.17 -3.47 -0.60 0.00 0.00 178.31 177.54 2wel n ASP 94 N -4.14 4.81 -0.36 2.17 2.03 -0.26 -4.67 116.55 116.13 2wel n ASP 94 Ca -0.01 -2.99 0.05 0.00 0.52 0.00 0.00 54.79 52.36 2wel n ASP 94 Cb 0.47 -1.58 0.22 0.00 -0.72 0.00 0.00 41.12 39.51 2wel n ASP 94 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2wel h LYS 95 N 6.33 1.04 -0.05 -0.67 3.11 -1.74 -0.90 116.57 123.69 2wel h LYS 95 Ca 0.43 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.20 2wel h LYS 95 Cb 0.71 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2wel h LYS 95 CO 1.59 0.69 0.00 -0.40 -2.81 0.00 0.00 179.45 178.51 2wel n ASP 96 N -4.56 1.27 -1.30 4.20 5.68 -1.26 -4.93 116.55 115.66 2wel n ASP 96 Ca 0.17 -1.49 -0.14 0.00 -0.50 0.00 0.00 54.79 52.83 2wel n ASP 96 Cb 0.28 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.19 2wel n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wel n GLY 97 N 1.12 0.80 0.45 6.12 0.00 -0.34 -4.89 105.19 108.44 2wel n GLY 97 Ca 0.19 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 46.01 2wel n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wel n ASN 98 N -0.45 1.39 0.00 1.61 6.94 -1.26 -4.93 115.26 118.56 2wel n ASN 98 Ca -0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 54.58 52.92 2wel n ASN 98 Cb 0.53 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2wel n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wel n GLY 99 N 1.15 0.75 2.90 4.83 0.00 -1.26 -5.06 105.19 108.50 2wel n GLY 99 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 2wel n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wel s TYR 100 N -2.47 0.49 -0.32 1.61 2.02 -1.26 -3.74 117.35 113.68 2wel s TYR 100 Ca 0.00 -0.09 -0.16 0.00 -0.37 0.00 0.00 57.07 56.45 2wel s TYR 100 Cb 0.00 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 41.12 2wel s TYR 100 CO 0.00 -0.09 0.41 0.42 -1.57 0.00 0.00 175.55 174.72 2wel s ILE 101 N 0.46 5.12 0.54 2.71 1.01 0.58 -4.79 121.20 126.83 2wel s ILE 101 Ca -0.05 0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 2wel s ILE 101 Cb -0.09 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2wel s ILE 101 CO -0.00 -0.05 0.79 -0.94 0.00 0.00 0.00 174.94 174.74 2wel s SER 102 N 1.71 5.52 0.25 3.58 1.04 -1.26 -1.13 113.70 123.40 2wel s SER 102 Ca 0.15 0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 2wel s SER 102 Cb -0.16 -1.35 0.35 0.00 0.10 0.00 0.00 66.02 64.95 2wel s SER 102 CO 0.12 -1.00 1.86 0.00 0.98 0.00 0.00 173.24 175.19 2wel h ALA 103 N 0.07 1.22 -0.79 5.32 0.00 -1.95 -1.93 119.26 121.20 2wel h ALA 103 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2wel h ALA 103 Cb 1.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2wel h ALA 103 CO 0.57 0.30 0.43 0.00 0.00 0.00 0.00 179.25 180.55 2wel h ALA 104 N 1.41 1.01 -0.38 0.00 0.00 -1.97 0.55 119.26 119.89 2wel h ALA 104 Ca 0.38 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2wel h ALA 104 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wel h ALA 104 CO -0.17 0.53 0.01 0.93 0.00 0.00 0.00 179.25 180.55 2wel h GLU 105 N 1.10 0.66 -0.52 0.00 5.08 -1.81 -1.26 114.58 117.82 2wel h GLU 105 Ca 0.28 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wel h GLU 105 Cb 0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2wel h GLU 105 CO -0.04 0.75 0.29 1.25 -1.00 0.00 0.00 179.01 180.26 2wel h LEU 106 N 0.48 0.64 -0.63 1.33 5.85 -1.14 -1.84 115.31 120.01 2wel h LEU 106 Ca 0.11 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2wel h LEU 106 Cb 0.45 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2wel h LEU 106 CO 0.02 0.54 0.34 -0.09 -0.34 0.00 0.00 178.44 178.91 2wel h ARG 107 N 0.69 0.62 -0.57 1.25 2.43 -0.63 -1.01 114.38 117.15 2wel h ARG 107 Ca 0.18 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2wel h ARG 107 Cb 0.04 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2wel h ARG 107 CO -0.03 0.41 0.35 0.45 -1.51 0.00 0.00 179.97 179.64 2wel h HIS 108 N 0.63 0.75 -0.49 2.20 3.86 -0.93 0.27 115.15 121.45 2wel h HIS 108 Ca 0.29 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2wel h HIS 108 Cb 0.19 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 2wel h HIS 108 CO -0.09 0.51 0.32 0.28 0.86 0.00 0.00 177.93 179.81 2wel h VAL 109 N 0.77 1.11 -0.55 2.45 2.07 -0.52 -0.34 116.25 121.25 2wel h VAL 109 Ca 0.21 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 2wel h VAL 109 Cb -0.03 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2wel h VAL 109 CO -0.04 0.12 0.08 0.24 0.02 0.00 0.00 177.57 177.98 2wel h MET 110 N 0.65 0.92 -0.48 1.57 2.07 -0.82 -0.96 114.93 117.87 2wel h MET 110 Ca 0.18 -0.26 0.02 0.00 -2.07 0.00 0.00 59.70 57.58 2wel h MET 110 Cb -0.06 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.54 2wel h MET 110 CO -0.05 0.90 0.28 1.15 1.07 0.00 0.00 176.91 180.26 2wel h THR 111 N 0.81 1.04 -0.96 2.22 2.02 -0.86 0.50 112.91 117.69 2wel h THR 111 Ca 0.17 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2wel h THR 111 Cb 0.43 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 2wel h THR 111 CO 0.01 0.10 0.64 0.78 0.37 0.00 0.00 175.52 177.42 2wel h ASN 112 N 0.57 1.09 0.47 4.18 2.35 -0.70 -0.99 115.58 122.55 2wel h ASN 112 Ca 0.20 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2wel h ASN 112 Cb 0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2wel h ASN 112 CO -0.10 0.78 0.00 0.18 -1.65 0.00 0.00 177.43 176.64 2wel n LEU 113 N -4.40 0.00 0.00 1.61 4.77 -0.40 -4.84 117.00 113.74 2wel n LEU 113 Ca 0.12 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2wel n LEU 113 Cb 0.04 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2wel n LEU 113 CO 0.36 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2wel n GLY 114 N 0.22 0.78 3.84 -0.72 0.00 -0.37 -5.03 105.19 103.91 2wel n GLY 114 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2wel n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wel s GLU 115 N -0.57 4.05 -0.57 1.61 0.41 0.13 -4.99 118.70 118.77 2wel s GLU 115 Ca 0.00 0.76 0.04 0.00 -0.41 0.00 0.00 54.97 55.36 2wel s GLU 115 Cb 0.00 -2.38 0.14 0.00 -1.78 0.00 0.00 34.13 30.11 2wel s GLU 115 CO 0.00 0.12 0.32 0.15 -0.49 0.00 0.00 175.26 175.36 2wel s LYS 116 N -3.03 2.09 0.13 1.61 3.01 -1.26 -4.15 119.74 118.14 2wel s LYS 116 Ca 0.56 -2.81 0.05 0.00 -1.01 0.00 0.00 55.97 52.76 2wel s LYS 116 Cb -0.10 -3.32 -0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2wel s LYS 116 CO 0.16 -1.16 0.03 -0.51 0.51 0.00 0.00 175.35 174.38 2wel s LEU 117 N -0.60 3.50 0.70 3.17 1.43 -1.26 -5.11 118.68 120.51 2wel s LEU 117 Ca 0.19 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 2wel s LEU 117 Cb -0.20 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.84 2wel s LEU 117 CO -0.05 0.13 1.07 0.42 0.23 0.00 0.00 176.35 178.15 2wel s THR 118 N -1.52 3.94 0.47 5.49 -4.23 -1.26 -4.92 115.64 113.61 2wel s THR 118 Ca 0.27 0.63 0.16 0.00 -1.18 0.00 0.00 61.69 61.57 2wel s THR 118 Cb -0.11 -3.48 0.21 0.00 1.34 0.00 0.00 72.50 70.47 2wel s THR 118 CO 0.20 -0.82 2.04 0.44 -0.54 0.00 0.00 174.62 175.93 2wel h ASP 119 N -0.68 0.00 -0.40 3.99 3.32 -1.99 -2.14 116.42 118.52 2wel h ASP 119 Ca -0.45 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.45 2wel h ASP 119 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2wel h ASP 119 CO 0.60 0.13 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.57 2wel h GLU 120 N 0.00 0.94 -0.57 3.56 3.07 -1.99 -1.49 114.58 118.10 2wel h GLU 120 Ca -0.00 -0.48 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 2wel h GLU 120 Cb 0.24 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2wel h GLU 120 CO 0.02 1.14 0.30 0.93 -1.40 0.00 0.00 179.01 179.99 2wel h GLU 121 N 0.77 0.80 -0.50 2.33 5.08 -1.83 -1.23 114.58 120.00 2wel h GLU 121 Ca 0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wel h GLU 121 Cb 0.94 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2wel h GLU 121 CO 0.09 0.63 0.30 0.28 -1.00 0.00 0.00 179.01 179.31 2wel h VAL 122 N 0.77 1.16 -0.98 3.13 2.07 -1.27 -1.17 116.25 119.95 2wel h VAL 122 Ca 0.20 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2wel h VAL 122 Cb 0.07 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 2wel h VAL 122 CO -0.03 0.16 0.64 0.44 0.02 0.00 0.00 177.57 178.80 2wel h ASP 123 N 0.67 1.08 -0.74 0.57 3.32 -1.09 -1.06 116.42 119.17 2wel h ASP 123 Ca 0.18 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 2wel h ASP 123 Cb -0.00 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2wel h ASP 123 CO -0.03 0.74 0.31 -0.08 -1.72 0.00 0.00 179.24 178.45 2wel h GLU 124 N 1.25 1.10 -0.17 3.56 4.81 -0.79 -0.13 114.58 124.21 2wel h GLU 124 Ca 0.39 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2wel h GLU 124 Cb -0.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2wel h GLU 124 CO -0.12 0.89 0.09 0.52 -0.73 0.00 0.00 179.01 179.66 2wel h MET 125 N 1.06 0.25 -0.44 1.92 2.86 -0.63 -1.87 114.93 118.09 2wel h MET 125 Ca 0.25 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 2wel h MET 125 Cb 0.20 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 2wel h MET 125 CO -0.02 0.28 0.03 0.82 1.06 0.00 0.00 176.91 179.07 2wel h ILE 126 N 0.16 0.70 0.00 -1.22 1.08 -0.85 -2.54 117.51 114.83 2wel h ILE 126 Ca 0.06 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 2wel h ILE 126 Cb 0.11 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 2wel h ILE 126 CO -0.01 0.03 -0.08 0.03 -0.69 0.00 0.00 178.15 177.43 2wel h ARG 127 N 0.14 0.00 -0.12 2.37 3.08 -0.63 0.22 114.38 119.45 2wel h ARG 127 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2wel h ARG 127 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2wel h ARG 127 CO -0.34 0.08 -0.12 0.93 -1.07 0.00 0.00 179.97 179.46 2wel h GLU 128 N 0.00 0.19 0.00 0.04 4.39 -0.90 -3.14 114.58 115.15 2wel h GLU 128 Ca -0.00 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 2wel h GLU 128 Cb 0.16 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2wel h GLU 128 CO 0.01 0.32 -2.15 0.00 -1.16 0.00 0.00 179.01 176.02 2wel n ALA 129 N -2.49 2.12 -2.55 3.43 0.00 -0.70 -4.82 120.51 115.50 2wel n ALA 129 Ca -0.01 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.09 2wel n ALA 129 Cb 0.24 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 2wel n ALA 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wel s ASP 130 N -5.06 6.67 0.07 0.00 2.15 0.69 -4.76 116.67 116.42 2wel s ASP 130 Ca -0.09 -2.16 -0.23 0.00 0.43 0.00 0.00 52.55 50.50 2wel s ASP 130 Cb 0.10 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.99 2wel s ASP 130 CO 0.87 -1.34 1.63 0.40 -0.17 0.00 0.00 175.17 176.55 2wel h ILE 131 N 5.91 1.10 0.00 4.11 2.04 -1.88 -3.10 117.51 125.70 2wel h ILE 131 Ca 0.38 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2wel h ILE 131 Cb 0.91 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2wel h ILE 131 CO 1.44 0.08 0.00 -0.90 0.00 0.00 0.00 178.15 178.77 2wel n ASP 132 N -5.02 0.00 -0.33 1.72 5.68 -1.26 -4.93 116.55 112.41 2wel n ASP 132 Ca -0.07 0.03 -0.04 0.00 -0.50 0.00 0.00 54.79 54.21 2wel n ASP 132 Cb 0.08 -0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 39.72 2wel n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wel n GLY 133 N 0.92 0.71 0.00 6.12 0.00 -1.17 -4.92 105.19 106.85 2wel n GLY 133 Ca 0.11 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.48 2wel n GLY 133 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wel n ASP 134 N 1.09 0.00 0.00 1.61 5.75 -1.26 -4.90 116.55 118.84 2wel n ASP 134 Ca -0.04 -0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 2wel n ASP 134 Cb 0.15 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2wel n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wel n GLY 135 N 0.71 0.72 3.23 6.12 0.00 -1.26 -5.06 105.19 109.65 2wel n GLY 135 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2wel n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wel s GLN 136 N -0.62 1.05 -0.26 1.61 -0.21 -1.26 -4.41 119.66 115.56 2wel s GLN 136 Ca 0.00 -1.48 -0.07 0.00 0.02 0.00 0.00 55.36 53.83 2wel s GLN 136 Cb 0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 33.01 33.72 2wel s GLN 136 CO 0.00 -0.09 0.06 0.08 -2.12 0.00 0.00 175.29 173.21 2wel s VAL 137 N -3.63 4.07 0.66 1.09 1.01 -0.28 -4.65 120.40 118.67 2wel s VAL 137 Ca 0.21 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2wel s VAL 137 Cb 0.06 -2.95 0.10 0.00 0.00 0.00 0.00 36.38 33.59 2wel s VAL 137 CO 0.02 0.28 0.91 0.54 0.00 0.00 0.00 175.10 176.85 2wel s ASN 138 N 1.56 4.67 0.16 3.32 2.20 -1.26 -0.31 114.94 125.28 2wel s ASN 138 Ca 0.05 -0.38 -0.16 0.00 -0.94 0.00 0.00 52.86 51.44 2wel s ASN 138 Cb -0.15 -0.14 0.04 0.00 -2.00 0.00 0.00 41.25 39.00 2wel s ASN 138 CO 0.02 -1.62 1.79 0.22 -2.94 0.00 0.00 177.10 174.57 2wel h TYR 139 N -0.28 0.42 -0.80 1.54 3.20 -1.99 -1.27 116.97 117.79 2wel h TYR 139 Ca -0.36 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.55 2wel h TYR 139 Cb 1.28 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 2wel h TYR 139 CO 0.02 0.24 0.51 1.49 -1.64 0.00 0.00 178.16 178.79 2wel h GLU 140 N 0.46 0.98 -0.51 1.82 4.81 -1.94 -0.49 114.58 119.70 2wel h GLU 140 Ca 0.16 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 2wel h GLU 140 Cb 0.02 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2wel h GLU 140 CO -0.08 0.65 -0.06 0.93 -0.73 0.00 0.00 179.01 179.71 2wel h GLU 141 N 1.01 0.91 -0.25 1.92 5.08 -1.79 -0.95 114.58 120.49 2wel h GLU 141 Ca 0.32 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2wel h GLU 141 Cb -0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2wel h GLU 141 CO -0.11 0.94 0.04 0.35 -1.00 0.00 0.00 179.01 179.24 2wel h PHE 142 N 0.82 0.45 -0.09 4.33 3.57 -0.82 -1.55 116.94 123.66 2wel h PHE 142 Ca 0.14 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2wel h PHE 142 Cb 0.58 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2wel h PHE 142 CO 0.03 0.53 0.05 0.28 -2.23 0.00 0.00 178.31 176.98 2wel h VAL 143 N 0.23 1.04 -0.68 1.41 2.07 -1.02 -2.69 116.25 116.62 2wel h VAL 143 Ca 0.08 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.59 2wel h VAL 143 Cb 0.33 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2wel h VAL 143 CO 0.00 0.04 0.31 1.56 0.02 0.00 0.00 177.57 179.50 2wel h GLN 144 N 0.09 0.50 -0.90 1.57 1.08 -1.03 -1.33 115.11 115.10 2wel h GLN 144 Ca 0.03 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2wel h GLN 144 Cb 0.02 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.28 2wel h GLN 144 CO -0.01 0.33 0.59 1.98 -0.95 0.00 0.00 178.83 180.78 2wel h MET 145 N 0.52 1.12 -0.38 1.46 4.05 -1.11 -2.65 114.93 117.94 2wel h MET 145 Ca 0.34 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 2wel h MET 145 Cb 0.41 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2wel h MET 145 CO -0.30 0.74 0.00 -1.33 0.23 0.00 0.00 176.91 176.25 2wel n MET 146 N -4.50 1.90 0.00 0.39 2.81 -0.57 -5.11 117.12 112.03 2wel n MET 146 Ca 0.11 -1.39 0.00 0.00 -1.81 0.00 0.00 57.70 54.61 2wel n MET 146 Cb 0.08 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2wel n MET 146 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73