#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff n ASP 2 N 0.00 5.45 -2.86 0.00 9.92 -1.26 -4.83 116.55 122.97 1cff n ASP 2 Ca 0.00 -3.75 -0.01 0.00 -0.53 0.00 0.00 54.79 50.50 1cff n ASP 2 Cb 0.00 -0.54 0.01 0.00 -0.64 0.00 0.00 41.12 39.95 1cff n ASP 2 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1cff s GLN 3 N -3.66 0.60 -0.04 -1.24 0.74 -1.26 -5.09 119.66 109.72 1cff s GLN 3 Ca 0.52 -0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.47 1cff s GLN 3 Cb 0.42 0.01 0.01 0.00 1.10 0.00 0.00 33.01 34.56 1cff s GLN 3 CO -0.11 -0.79 0.06 -0.11 -0.55 0.00 0.00 175.29 173.79 1cff n LEU 4 N 3.42 -4.89 -4.78 3.68 -0.00 -1.26 -4.91 117.00 108.25 1cff n LEU 4 Ca 0.12 2.11 -0.35 0.00 -0.00 0.00 0.00 56.01 57.89 1cff n LEU 4 Cb 0.60 -2.69 -0.02 0.00 -0.00 0.00 0.00 43.42 41.31 1cff n LEU 4 CO -0.06 -2.93 0.76 0.42 -0.00 0.00 0.00 177.39 175.59 1cff s THR 5 N -0.42 3.49 -0.57 1.96 -4.23 -1.26 -4.83 115.64 109.77 1cff s THR 5 Ca -0.07 1.01 0.23 0.00 -1.18 0.00 0.00 61.69 61.68 1cff s THR 5 Cb 0.00 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 1cff s THR 5 CO 0.20 -0.12 1.17 -0.62 -0.54 0.00 0.00 174.62 174.71 1cff n GLU 6 N -0.75 0.33 0.09 3.99 1.02 -1.26 -3.59 120.64 120.48 1cff n GLU 6 Ca 0.08 0.05 -0.04 0.00 -0.02 0.00 0.00 57.16 57.24 1cff n GLU 6 Cb 0.51 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1cff h GLU 7 N 0.00 -0.25 0.26 3.49 4.22 -1.98 -2.22 114.58 118.10 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1cff h GLU 7 Cb 0.77 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1cff h GLU 7 CO 0.00 -0.16 -0.13 1.96 -2.18 0.00 0.00 179.01 178.50 1cff h GLN 8 N -0.52 -0.34 -0.70 1.92 4.20 -2.00 -2.98 115.11 114.69 1cff h GLN 8 Ca -0.03 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1cff h GLN 8 Cb 0.20 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 27.94 1cff h GLN 8 CO 0.04 -0.06 0.06 0.97 -0.67 0.00 0.00 178.83 179.17 1cff h ILE 9 N -0.59 0.46 -0.97 2.54 2.10 -1.74 0.43 117.51 119.73 1cff h ILE 9 Ca -0.04 -0.06 0.30 0.00 1.08 0.00 0.00 64.86 66.14 1cff h ILE 9 Cb 0.43 0.28 -0.15 0.00 -1.09 0.00 0.00 36.82 36.29 1cff h ILE 9 CO 0.06 0.03 0.46 0.00 -1.08 0.00 0.00 178.15 177.62 1cff h ALA 10 N 1.62 1.74 -0.63 0.18 0.00 -1.24 1.57 119.26 122.49 1cff h ALA 10 Ca 0.38 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.57 1cff h ALA 10 Cb 0.65 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1cff h ALA 10 CO -0.56 -0.54 0.29 0.93 0.00 0.00 0.00 179.25 179.37 1cff h GLU 11 N 0.28 0.51 -0.53 0.00 4.39 -0.07 1.31 114.58 120.46 1cff h GLU 11 Ca 0.68 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.39 1cff h GLU 11 Cb 1.50 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 1cff h GLU 11 CO -0.63 0.34 0.35 0.35 -1.16 0.00 0.00 179.01 178.26 1cff h PHE 12 N 0.52 0.56 -0.49 4.33 3.57 0.23 0.42 116.94 126.09 1cff h PHE 12 Ca 0.30 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.71 1cff h PHE 12 Cb 0.30 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1cff h PHE 12 CO -0.12 0.32 -0.12 -0.22 -2.23 0.00 0.00 178.31 175.94 1cff h LYS 13 N 0.58 0.95 -0.92 1.11 3.11 0.30 0.16 116.57 121.86 1cff h LYS 13 Ca 0.22 -0.37 0.23 0.00 -2.81 0.00 0.00 60.65 57.92 1cff h LYS 13 Cb 0.14 -0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.26 1cff h LYS 13 CO -0.06 1.03 0.62 0.93 -2.81 0.00 0.00 179.45 179.16 1cff h GLU 14 N 0.80 0.26 0.00 1.90 4.39 0.34 1.30 114.58 123.58 1cff h GLU 14 Ca 0.12 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1cff h GLU 14 Cb 0.68 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1cff h GLU 14 CO 0.05 0.17 -0.15 0.00 -1.16 0.00 0.00 179.01 177.93 1cff h ALA 15 N 1.59 0.02 0.00 3.43 0.00 -1.19 -2.82 119.26 120.29 1cff h ALA 15 Ca 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1cff h ALA 15 Cb 1.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1cff h ALA 15 CO -0.14 0.11 0.48 0.35 0.00 0.00 0.00 179.25 180.05 1cff h PHE 16 N -1.00 0.00 0.13 0.00 3.57 0.39 2.75 116.94 122.79 1cff h PHE 16 Ca -0.02 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.11 1cff h PHE 16 Cb 0.43 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1cff h PHE 16 CO 0.06 0.00 -1.96 1.03 -2.23 0.00 0.00 178.31 175.20 1cff h SER 17 N 0.00 0.44 0.16 0.41 0.87 0.16 -3.31 113.55 112.27 1cff h SER 17 Ca 0.00 -0.94 -0.28 0.00 -1.23 0.00 0.00 61.79 59.34 1cff h SER 17 Cb 0.96 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1cff h SER 17 CO 0.00 1.84 -1.17 0.25 -0.53 0.00 0.00 176.83 177.22 1cff h LEU 18 N 0.08 0.82 -1.95 2.23 7.12 0.00 -3.15 115.31 120.46 1cff h LEU 18 Ca -0.41 -0.73 0.32 0.00 0.13 0.00 0.00 57.88 57.19 1cff h LEU 18 Cb 2.04 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 41.87 1cff h LEU 18 CO 0.10 1.54 0.79 0.15 -0.13 0.00 0.00 178.44 180.89 1cff h PHE 19 N 0.29 0.06 0.00 1.25 3.04 0.45 1.32 116.94 123.34 1cff h PHE 19 Ca -0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1cff h PHE 19 Cb 1.83 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1cff h PHE 19 CO 0.10 0.00 0.00 -3.47 -2.02 0.00 0.00 178.31 172.93 1cff n ASP 20 N -4.24 0.43 -4.02 0.41 2.03 -1.19 -4.87 116.55 105.11 1cff n ASP 20 Ca 0.24 0.66 -0.35 0.00 0.52 0.00 0.00 54.79 55.86 1cff n ASP 20 Cb 1.15 -0.73 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 1cff n ASP 20 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cff n LYS 21 N -2.03 -1.39 0.00 -0.67 0.00 0.45 -4.54 118.16 109.98 1cff n LYS 21 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 58.31 58.56 1cff n LYS 21 Cb 0.10 -3.62 0.00 0.00 0.00 0.00 0.00 35.03 31.52 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 22 N -2.65 0.00 -1.13 3.14 5.75 -1.26 -5.02 116.55 115.39 1cff n ASP 22 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1cff n ASP 22 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 23 N 0.00 0.67 0.04 6.12 0.00 -1.26 -5.00 105.19 105.76 1cff n GLY 23 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 1cff n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cff n ASP 24 N -1.13 2.30 0.00 1.61 2.03 -1.26 -5.01 116.55 115.09 1cff n ASP 24 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cff n ASP 24 Cb 0.46 0.94 0.00 0.00 -0.72 0.00 0.00 41.12 41.79 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cff n GLY 25 N 2.22 3.26 3.19 0.27 0.00 -1.26 -5.01 105.19 107.85 1cff n GLY 25 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1cff n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 26 N -2.34 1.71 -0.19 2.61 -4.23 -1.26 -4.57 115.64 107.35 1cff s THR 26 Ca 0.00 -0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 59.49 1cff s THR 26 Cb 0.00 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1cff s THR 26 CO 0.00 0.48 0.40 -0.63 -0.54 0.00 0.00 174.62 174.34 1cff s ILE 27 N 0.01 5.20 0.34 2.99 -1.09 -1.03 -4.90 121.20 122.72 1cff s ILE 27 Ca -0.05 0.73 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 1cff s ILE 27 Cb -0.13 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1cff s ILE 27 CO 0.03 0.26 0.11 -0.89 -1.23 0.00 0.00 174.94 173.22 1cff s THR 28 N 1.24 0.71 0.59 2.92 2.01 -1.26 -0.83 115.64 121.01 1cff s THR 28 Ca 0.20 -2.00 0.29 0.00 0.31 0.00 0.00 61.69 60.49 1cff s THR 28 Cb -0.15 -2.55 0.39 0.00 0.01 0.00 0.00 72.50 70.21 1cff s THR 28 CO 0.08 0.00 1.81 0.71 -0.69 0.00 0.00 174.62 176.53 1cff h THR 29 N 2.04 0.31 0.47 -0.82 1.35 -1.96 0.29 112.91 114.60 1cff h THR 29 Ca -0.37 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.47 1cff h THR 29 Cb 1.26 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1cff h THR 29 CO 0.60 0.00 -0.23 0.50 -0.25 0.00 0.00 175.52 176.14 1cff h LYS 30 N 0.00 -0.61 -0.18 4.72 3.64 -1.97 0.47 116.57 122.63 1cff h LYS 30 Ca 0.27 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.57 1cff h LYS 30 Cb 1.49 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 1cff h LYS 30 CO -0.00 -0.41 -0.40 1.05 -2.27 0.00 0.00 179.45 177.42 1cff h GLU 31 N -0.67 0.59 -0.23 1.90 9.09 -1.67 -2.53 114.58 121.06 1cff h GLU 31 Ca -0.06 -0.39 0.01 0.00 0.05 0.00 0.00 59.36 58.97 1cff h GLU 31 Cb 0.48 0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.62 1cff h GLU 31 CO 0.11 1.01 0.12 -0.07 0.05 0.00 0.00 179.01 180.22 1cff h LEU 32 N 0.25 0.18 -1.32 3.06 3.38 -0.55 -2.11 115.31 118.20 1cff h LEU 32 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1cff h LEU 32 Cb 1.00 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1cff h LEU 32 CO 0.09 0.14 0.46 1.23 0.09 0.00 0.00 178.44 180.45 1cff h GLY 33 N 0.25 0.98 0.30 0.83 0.00 -0.09 -2.18 103.07 103.17 1cff h GLY 33 Ca 0.09 -0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.15 1cff h GLY 33 CO -0.06 0.34 0.06 -0.84 0.00 0.00 0.00 176.54 176.04 1cff h THR 34 N 0.92 0.68 -0.71 4.70 2.02 -0.93 0.12 112.91 119.71 1cff h THR 34 Ca 0.26 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 1cff h THR 34 Cb -0.06 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1cff h THR 34 CO -0.06 0.03 0.28 0.58 0.37 0.00 0.00 175.52 176.72 1cff h VAL 35 N 0.19 1.24 0.00 3.16 2.07 -1.19 1.09 116.25 122.81 1cff h VAL 35 Ca 0.25 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1cff h VAL 35 Cb 0.35 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1cff h VAL 35 CO -0.35 0.31 0.00 0.23 0.02 0.00 0.00 177.57 177.78 1cff n MET 36 N -4.29 0.15 -0.09 1.57 2.81 -0.10 -0.84 117.12 116.33 1cff n MET 36 Ca 0.06 0.49 -0.17 0.00 -1.81 0.00 0.00 57.70 56.27 1cff n MET 36 Cb 0.18 -1.85 -0.06 0.00 -0.71 0.00 0.00 33.22 30.78 1cff n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1cff n ARG 37 N -2.13 0.37 0.11 0.03 1.74 -0.30 -0.86 116.66 115.62 1cff n ARG 37 Ca 0.01 0.15 0.10 0.00 -0.77 0.00 0.00 57.85 57.33 1cff n ARG 37 Cb 0.14 -1.14 0.45 0.00 -1.02 0.00 0.00 32.46 30.88 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1cff n SER 38 N -3.65 0.47 0.00 0.55 7.64 0.36 -2.08 113.62 116.91 1cff n SER 38 Ca -0.33 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1cff n SER 38 Cb 0.75 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cff n LEU 39 N -2.07 0.60 -3.83 -3.43 7.99 -0.02 -5.01 117.00 111.23 1cff n LEU 39 Ca 0.01 -0.60 -0.29 0.00 -0.01 0.00 0.00 56.01 55.12 1cff n LEU 39 Cb 0.13 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.47 1cff n LEU 39 CO 0.13 0.15 0.12 0.61 -1.51 0.00 0.00 177.39 176.89 1cff n GLY 40 N -0.06 -0.51 2.43 -0.72 0.00 -0.89 -4.84 105.19 100.60 1cff n GLY 40 Ca 0.00 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1cff n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cff n GLN 41 N -4.68 4.30 -2.86 1.61 6.02 -0.04 -4.61 117.38 117.12 1cff n GLN 41 Ca 0.03 -3.06 -0.11 0.00 -0.01 0.00 0.00 57.00 53.85 1cff n GLN 41 Cb 0.53 -2.67 0.06 0.00 1.02 0.00 0.00 30.24 29.17 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1cff n ASN 42 N 2.27 -4.49 -4.55 1.08 5.03 -1.26 -4.66 115.26 108.68 1cff n ASN 42 Ca 0.67 -0.50 -0.37 0.00 0.87 0.00 0.00 54.58 55.26 1cff n ASN 42 Cb 0.25 -3.94 -0.03 0.00 -1.02 0.00 0.00 39.78 35.03 1cff n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cff s PRO 43 N -4.29 2.70 0.31 3.52 0.04 -1.13 -4.81 135.00 131.33 1cff s PRO 43 Ca 0.25 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.61 1cff s PRO 43 Cb -0.03 -4.53 -0.06 0.00 0.04 0.00 0.00 34.50 29.92 1cff s PRO 43 CO 0.54 -2.78 0.08 0.95 0.04 0.00 0.00 177.00 175.82 1cff s THR 44 N 8.81 0.91 0.04 1.26 -4.23 -1.26 -5.03 115.64 116.14 1cff s THR 44 Ca 0.64 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1cff s THR 44 Cb -0.11 -2.71 -0.24 0.00 1.34 0.00 0.00 72.50 70.79 1cff s THR 44 CO 0.15 0.00 1.00 -0.08 -0.54 0.00 0.00 174.62 175.15 1cff h GLU 45 N 2.19 0.09 0.08 3.99 4.81 -2.02 -3.36 114.58 120.35 1cff h GLU 45 Ca -0.39 -0.15 -0.35 0.00 -0.13 0.00 0.00 59.36 58.34 1cff h GLU 45 Cb 1.25 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 1cff h GLU 45 CO 0.65 0.92 -1.95 0.00 -0.73 0.00 0.00 179.01 177.90 1cff n ALA 46 N -2.50 1.12 0.23 2.92 0.00 -1.26 -4.05 120.51 116.97 1cff n ALA 46 Ca -0.09 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.50 1cff n ALA 46 Cb 1.00 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 1cff n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cff h GLU 47 N 0.04 -0.67 -1.01 0.00 4.81 -1.90 0.70 114.58 116.56 1cff h GLU 47 Ca -0.40 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.08 1cff h GLU 47 Cb 2.03 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 31.45 1cff h GLU 47 CO 0.07 -0.45 0.61 1.37 -0.73 0.00 0.00 179.01 179.89 1cff h LEU 48 N -0.70 0.77 -0.93 1.64 8.10 -1.78 1.72 115.31 124.12 1cff h LEU 48 Ca -0.03 0.10 -0.07 0.00 0.11 0.00 0.00 57.88 57.99 1cff h LEU 48 Cb 0.61 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.78 1cff h LEU 48 CO -0.03 0.25 -0.03 -0.61 -4.11 0.00 0.00 178.44 173.92 1cff h GLN 49 N 0.74 0.75 -0.25 0.17 4.15 -1.45 0.68 115.11 119.89 1cff h GLN 49 Ca 0.59 -0.21 -0.14 0.00 0.77 0.00 0.00 58.65 59.67 1cff h GLN 49 Cb 0.95 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1cff h GLN 49 CO -0.40 0.78 -0.41 0.22 -1.93 0.00 0.00 178.83 177.09 1cff h ASP 50 N 0.70 0.65 -0.19 -0.69 1.82 0.80 0.23 116.42 119.74 1cff h ASP 50 Ca 0.13 -0.29 -0.17 0.00 -0.39 0.00 0.00 57.03 56.31 1cff h ASP 50 Cb 0.47 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.30 1cff h ASP 50 CO 0.02 0.98 -0.57 -0.03 -1.61 0.00 0.00 179.24 178.04 1cff h MET 51 N 0.50 0.71 -0.45 0.28 4.05 0.26 0.18 114.93 120.47 1cff h MET 51 Ca 0.04 -0.52 -0.09 0.00 -0.28 0.00 0.00 59.70 58.86 1cff h MET 51 Cb 0.93 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 1cff h MET 51 CO 0.08 1.14 -0.06 0.82 0.23 0.00 0.00 176.91 179.12 1cff h ILE 52 N 0.42 1.27 -0.01 1.77 1.08 0.45 -2.63 117.51 119.86 1cff h ILE 52 Ca -0.02 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1cff h ILE 52 Cb 1.19 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 1cff h ILE 52 CO 0.12 0.39 -0.05 -3.20 -0.69 0.00 0.00 178.15 174.73 1cff n ASN 53 N -4.32 0.67 -0.03 1.72 2.85 0.80 -3.74 115.26 113.20 1cff n ASN 53 Ca -0.00 -1.00 -0.20 0.00 -0.11 0.00 0.00 54.58 53.27 1cff n ASN 53 Cb 0.34 -0.02 -0.13 0.00 1.24 0.00 0.00 39.78 41.21 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1cff h GLU 54 N 0.98 0.15 -0.90 1.20 4.39 -0.26 -3.35 114.58 116.78 1cff h GLU 54 Ca 0.00 -0.25 -0.31 0.00 0.34 0.00 0.00 59.36 59.14 1cff h GLU 54 Cb 0.30 0.09 -0.18 0.00 -0.10 0.00 0.00 28.75 28.86 1cff h GLU 54 CO 0.00 1.12 0.39 1.55 -1.16 0.00 0.00 179.01 180.91 1cff n VAL 55 N -4.18 2.70 -1.75 3.13 3.14 -1.14 -4.64 118.33 115.58 1cff n VAL 55 Ca -0.23 -1.48 -0.34 0.00 -2.96 0.00 0.00 64.34 59.32 1cff n VAL 55 Cb 0.77 -0.49 -0.03 0.00 -1.06 0.00 0.00 33.84 33.03 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1cff n ASP 56 N -0.47 7.39 -0.29 6.55 8.00 -1.25 -4.47 116.55 132.01 1cff n ASP 56 Ca 0.42 -3.13 0.10 0.00 0.71 0.00 0.00 54.79 52.90 1cff n ASP 56 Cb 1.36 -1.32 0.26 0.00 -0.02 0.00 0.00 41.12 41.40 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cff h ALA 57 N 3.95 1.27 0.00 2.24 0.00 -1.90 0.25 119.26 125.07 1cff h ALA 57 Ca 0.58 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.62 1cff h ALA 57 Cb 0.50 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1cff h ALA 57 CO 1.22 -0.33 -1.34 -0.40 0.00 0.00 0.00 179.25 178.40 1cff n ASP 58 N -5.08 0.61 -3.94 0.00 5.75 -1.26 -5.00 116.55 107.63 1cff n ASP 58 Ca 0.19 0.24 -0.36 0.00 -0.01 0.00 0.00 54.79 54.85 1cff n ASP 58 Cb 0.58 0.84 0.01 0.00 -1.03 0.00 0.00 41.12 41.52 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 59 N 1.24 -1.01 0.06 6.12 0.00 0.88 -4.88 105.19 107.59 1cff n GLY 59 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1cff n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cff n ASN 60 N -2.24 0.06 0.00 1.61 6.94 -1.26 -5.00 115.26 115.37 1cff n ASN 60 Ca -0.20 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.38 1cff n ASN 60 Cb 0.60 1.40 0.00 0.00 -2.36 0.00 0.00 39.78 39.42 1cff n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cff n GLY 61 N 1.50 -0.47 2.53 4.83 0.00 -1.26 -5.16 105.19 107.15 1cff n GLY 61 Ca -0.18 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1cff n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cff n THR 62 N 0.00 0.00 -2.00 2.61 -2.24 -1.26 -5.04 114.28 106.34 1cff n THR 62 Ca 0.00 -1.63 -0.40 0.00 -2.27 0.00 0.00 64.05 59.75 1cff n THR 62 Cb 0.00 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1cff n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1cff s ILE 63 N -2.89 2.49 0.06 2.28 -1.09 -0.01 -4.90 121.20 117.13 1cff s ILE 63 Ca 0.27 0.46 0.02 0.00 -2.23 0.00 0.00 60.65 59.16 1cff s ILE 63 Cb 0.00 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1cff s ILE 63 CO 0.19 0.08 -0.07 1.51 -1.23 0.00 0.00 174.94 175.42 1cff s ASP 64 N -0.58 0.88 0.25 3.58 1.47 -1.26 -2.45 116.67 118.55 1cff s ASP 64 Ca 0.55 -0.69 -0.10 0.00 1.18 0.00 0.00 52.55 53.49 1cff s ASP 64 Cb -0.40 0.06 0.36 0.00 -0.34 0.00 0.00 42.92 42.60 1cff s ASP 64 CO 0.53 -0.30 1.45 0.33 0.68 0.00 0.00 175.17 177.86 1cff n PHE 65 N 1.01 0.24 0.06 2.11 7.35 -1.26 -1.41 117.46 125.56 1cff n PHE 65 Ca -0.20 1.14 -0.12 0.00 -0.76 0.00 0.00 57.45 57.51 1cff n PHE 65 Cb 0.57 -0.98 -0.09 0.00 0.35 0.00 0.00 39.48 39.33 1cff n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1cff h PRO 66 N 0.00 -0.18 -0.56 -7.13 0.13 -1.98 -2.02 132.00 120.26 1cff h PRO 66 Ca 0.41 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.61 1cff h PRO 66 Cb 0.64 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.76 1cff h PRO 66 CO -0.95 0.24 0.27 1.05 -0.23 0.00 0.00 178.00 178.38 1cff h GLU 67 N -0.68 0.50 -0.19 0.86 4.11 -1.73 0.29 114.58 117.74 1cff h GLU 67 Ca -0.02 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 1cff h GLU 67 Cb 0.50 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1cff h GLU 67 CO 0.03 0.33 -0.18 0.35 0.07 0.00 0.00 179.01 179.61 1cff h PHE 68 N 0.51 0.34 -0.08 2.06 3.04 -1.33 -2.80 116.94 118.68 1cff h PHE 68 Ca 0.26 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1cff h PHE 68 Cb 0.20 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 1cff h PHE 68 CO -0.11 0.48 0.02 1.25 -2.02 0.00 0.00 178.31 177.93 1cff h LEU 69 N 0.29 0.12 0.56 0.59 5.85 -0.32 -2.79 115.31 119.61 1cff h LEU 69 Ca 0.05 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1cff h LEU 69 Cb 0.49 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1cff h LEU 69 CO 0.03 0.30 -0.36 0.71 -0.34 0.00 0.00 178.44 178.78 1cff h THR 70 N -0.07 0.00 -1.10 1.05 1.35 -0.83 0.31 112.91 113.62 1cff h THR 70 Ca 0.03 0.00 0.34 0.00 -0.55 0.00 0.00 66.41 66.22 1cff h THR 70 Cb 0.23 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.52 1cff h THR 70 CO -0.00 0.00 0.67 -0.03 -0.25 0.00 0.00 175.52 175.91 1cff h MET 71 N -0.87 0.27 0.10 4.72 1.85 -1.58 0.32 114.93 119.74 1cff h MET 71 Ca -0.08 -0.02 -0.28 0.00 -0.61 0.00 0.00 59.70 58.72 1cff h MET 71 Cb 0.70 -0.06 0.03 0.00 0.43 0.00 0.00 31.60 32.70 1cff h MET 71 CO 0.06 0.18 -1.16 1.98 -0.40 0.00 0.00 176.91 177.57 1cff h MET 72 N 0.28 0.61 0.56 0.39 -1.53 -1.19 -3.37 114.93 110.68 1cff h MET 72 Ca 0.72 -0.79 -0.03 0.00 -3.44 0.00 0.00 59.70 56.16 1cff h MET 72 Cb 1.88 0.26 0.01 0.00 -0.55 0.00 0.00 31.60 33.19 1cff h MET 72 CO -0.48 1.35 -0.27 0.00 0.14 0.00 0.00 176.91 177.66 1cff h ALA 73 N 0.29 -0.99 -2.04 0.39 0.00 0.32 -3.38 119.26 113.85 1cff h ALA 73 Ca -0.17 -0.17 -0.70 0.00 0.00 0.00 0.00 54.91 53.87 1cff h ALA 73 Cb 1.84 0.29 -0.19 0.00 0.00 0.00 0.00 17.79 19.74 1cff h ALA 73 CO 0.22 -0.93 0.64 -0.98 0.00 0.00 0.00 179.25 178.20 1cff s ARG 74 N -4.31 3.51 -0.15 0.00 1.70 0.38 -4.58 118.95 115.51 1cff s ARG 74 Ca -0.11 -1.75 0.06 0.00 -0.47 0.00 0.00 55.73 53.45 1cff s ARG 74 Cb 0.01 -4.73 0.18 0.00 -0.57 0.00 0.00 34.95 29.84 1cff s ARG 74 CO 0.33 -1.69 0.95 0.36 -1.08 0.00 0.00 175.30 174.18 1cff n LYS 75 N 6.24 0.60 -4.19 3.89 -0.00 -1.26 -4.70 118.16 118.74 1cff n LYS 75 Ca 0.17 -0.56 -0.11 0.00 -0.00 0.00 0.00 58.31 57.81 1cff n LYS 75 Cb 0.48 0.22 -0.10 0.00 -0.00 0.00 0.00 35.03 35.63 1cff n LYS 75 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1cff s MET 76 N 0.06 1.03 0.07 -1.58 -1.94 -1.26 -5.09 119.30 110.59 1cff s MET 76 Ca 0.04 -1.50 0.05 0.00 -1.71 0.00 0.00 55.69 52.57 1cff s MET 76 Cb 0.20 0.05 -0.03 0.00 2.01 0.00 0.00 34.83 37.06 1cff s MET 76 CO -0.06 -0.23 -0.15 0.15 -0.01 0.00 0.00 175.02 174.72 1cff s LYS 77 N -4.01 0.90 -0.68 2.03 -0.14 -1.26 -5.10 119.74 111.48 1cff s LYS 77 Ca 0.26 -0.92 -0.10 0.00 -1.36 0.00 0.00 55.97 53.84 1cff s LYS 77 Cb 0.07 -0.94 0.18 0.00 -1.68 0.00 0.00 37.83 35.46 1cff s LYS 77 CO 0.04 0.22 0.57 -0.51 -0.76 0.00 0.00 175.35 174.91 1cff s ASP 78 N -1.58 6.10 0.00 2.83 1.11 -1.26 -4.71 116.67 119.17 1cff s ASP 78 Ca 0.00 -2.49 0.02 0.00 0.18 0.00 0.00 52.55 50.26 1cff s ASP 78 Cb -0.09 -2.08 0.04 0.00 1.07 0.00 0.00 42.92 41.86 1cff s ASP 78 CO 0.02 -0.57 0.82 0.35 1.18 0.00 0.00 175.17 176.96 1cff n THR 79 N 4.16 0.00 -3.66 -1.27 -2.24 -1.26 -5.11 114.28 104.90 1cff n THR 79 Ca 0.05 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1cff n THR 79 Cb 0.43 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.92 1cff n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1cff s ASP 80 N -0.69 -0.75 -0.36 3.42 -4.77 -1.26 -5.13 116.67 107.13 1cff s ASP 80 Ca 0.03 1.24 -0.02 0.00 -3.30 0.00 0.00 52.55 50.51 1cff s ASP 80 Cb 0.04 1.14 0.09 0.00 -1.09 0.00 0.00 42.92 43.09 1cff s ASP 80 CO -0.02 -0.22 0.11 -0.94 0.70 0.00 0.00 175.17 174.81 1cff s SER 81 N 1.37 5.08 0.03 2.11 1.04 -1.26 -4.92 113.70 117.14 1cff s SER 81 Ca -0.08 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.59 1cff s SER 81 Cb -0.06 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1cff s SER 81 CO -0.14 -0.42 0.00 1.21 0.98 0.00 0.00 173.24 174.86 1cff n GLU 82 N 4.57 -4.75 0.00 4.02 2.13 -1.26 -5.06 120.64 120.29 1cff n GLU 82 Ca -0.06 3.44 0.00 0.00 0.66 0.00 0.00 57.16 61.20 1cff n GLU 82 Cb 0.42 -4.32 0.00 0.00 0.27 0.00 0.00 31.44 27.81 1cff n GLU 82 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1cff n GLU 83 N 1.88 0.00 0.08 5.31 -0.58 -1.26 -4.80 120.64 121.27 1cff n GLU 83 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1cff n GLU 83 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.79 1cff n GLU 83 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1cff h GLU 84 N 0.00 0.00 0.00 3.49 5.08 -2.02 -3.13 114.58 118.00 1cff h GLU 84 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 84 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cff h GLU 84 CO 0.00 0.85 0.00 -0.89 -1.00 0.00 0.00 179.01 177.97 1cff n ILE 85 N -3.31 1.12 0.01 3.13 -0.00 -1.26 -3.01 119.36 116.05 1cff n ILE 85 Ca 0.00 0.33 0.22 0.00 -0.00 0.00 0.00 62.75 63.31 1cff n ILE 85 Cb 0.88 -1.20 0.61 0.00 -0.00 0.00 0.00 39.64 39.93 1cff n ILE 85 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1cff h ARG 86 N 0.00 0.00 0.00 0.38 1.12 -1.85 1.64 114.38 115.67 1cff h ARG 86 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.74 1cff h ARG 86 Cb 0.22 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 1cff h ARG 86 CO 0.00 0.00 -0.80 0.93 -3.11 0.00 0.00 179.97 176.99 1cff h GLU 87 N 0.00 0.00 -0.26 0.20 5.08 -1.82 -2.76 114.58 115.02 1cff h GLU 87 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1cff h GLU 87 Cb 1.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1cff h GLU 87 CO -0.00 0.75 0.17 0.00 -1.00 0.00 0.00 179.01 178.92 1cff h ALA 88 N -0.53 1.80 0.01 3.43 0.00 -1.19 1.19 119.26 123.97 1cff h ALA 88 Ca -0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1cff h ALA 88 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1cff h ALA 88 CO -0.12 0.18 -0.00 0.35 0.00 0.00 0.00 179.25 179.66 1cff h PHE 89 N 0.35 -0.01 0.00 0.00 3.57 0.22 -0.93 116.94 120.14 1cff h PHE 89 Ca 0.09 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1cff h PHE 89 Cb -0.03 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1cff h PHE 89 CO 0.00 0.30 -0.54 0.00 -2.23 0.00 0.00 178.31 175.83 1cff h ARG 90 N -0.31 0.00 -0.26 1.11 2.47 -1.07 -1.31 114.38 115.00 1cff h ARG 90 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1cff h ARG 90 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1cff h ARG 90 CO 0.00 0.54 0.15 0.28 0.56 0.00 0.00 179.97 181.51 1cff h VAL 91 N 0.00 1.11 -0.02 2.04 2.07 0.16 -2.85 116.25 118.76 1cff h VAL 91 Ca -0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1cff h VAL 91 Cb 1.11 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1cff h VAL 91 CO 0.07 0.11 -0.12 0.49 0.02 0.00 0.00 177.57 178.14 1cff n PHE 92 N -4.86 0.00 0.78 1.57 3.72 -0.37 -3.99 117.46 114.31 1cff n PHE 92 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1cff n PHE 92 Cb 0.06 -0.03 0.16 0.00 -0.94 0.00 0.00 39.48 38.73 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cff n ASP 93 N 0.15 0.60 0.00 4.37 2.03 -0.50 -4.67 116.55 118.53 1cff n ASP 93 Ca 0.15 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cff n ASP 93 Cb 0.41 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cff n LYS 94 N -1.78 0.00 -0.23 -0.67 4.81 -1.15 0.54 118.16 119.68 1cff n LYS 94 Ca 0.04 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.50 1cff n LYS 94 Cb 0.39 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.57 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1cff h ASP 95 N 0.00 0.33 0.00 3.14 3.04 -1.91 -3.47 116.42 117.55 1cff h ASP 95 Ca 0.00 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1cff h ASP 95 Cb 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1cff h ASP 95 CO 0.00 0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.99 1cff n GLY 96 N -1.30 0.72 0.40 7.15 0.00 0.19 -5.08 105.19 107.26 1cff n GLY 96 Ca 0.11 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1cff n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cff n ASN 97 N 0.00 1.58 0.00 1.61 5.03 -1.26 -5.05 115.26 117.17 1cff n ASN 97 Ca 0.00 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.71 1cff n ASN 97 Cb 0.00 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.16 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cff n GLY 98 N 2.01 1.23 3.65 7.41 0.00 -1.26 -5.12 105.19 113.10 1cff n GLY 98 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1cff n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cff s TYR 99 N -0.32 2.88 -0.81 1.61 2.02 -1.26 -3.99 117.35 117.48 1cff s TYR 99 Ca 0.00 -0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1cff s TYR 99 Cb 0.00 -1.48 0.20 0.00 -0.40 0.00 0.00 41.96 40.29 1cff s TYR 99 CO 0.00 0.47 0.69 0.42 -1.57 0.00 0.00 175.55 175.56 1cff s ILE 100 N -1.33 4.52 0.12 2.71 1.01 -1.09 -4.89 121.20 122.25 1cff s ILE 100 Ca 0.24 -3.25 -0.20 0.00 0.00 0.00 0.00 60.65 57.44 1cff s ILE 100 Cb -0.11 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1cff s ILE 100 CO 0.17 -1.01 1.72 -1.28 0.00 0.00 0.00 174.94 174.53 1cff h SER 101 N 6.76 -0.12 0.00 3.58 0.87 -1.93 -3.38 113.55 119.33 1cff h SER 101 Ca 0.09 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1cff h SER 101 Cb 0.91 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1cff h SER 101 CO 0.80 -0.04 0.00 0.00 -0.53 0.00 0.00 176.83 177.06 1cff n ALA 102 N -2.32 0.00 -0.24 6.23 0.00 -1.26 -4.93 120.51 117.99 1cff n ALA 102 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cff n ALA 102 Cb 0.10 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.63 1cff n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cff h ALA 103 N 0.00 0.43 0.65 0.00 0.00 -1.97 1.08 119.26 119.45 1cff h ALA 103 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1cff h ALA 103 Cb 0.00 0.55 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1cff h ALA 103 CO 0.00 -0.43 -0.31 0.93 0.00 0.00 0.00 179.25 179.44 1cff h GLU 104 N -0.01 -0.84 -0.79 0.00 3.07 -1.93 -2.82 114.58 111.27 1cff h GLU 104 Ca 0.33 0.06 0.16 0.00 -0.50 0.00 0.00 59.36 59.41 1cff h GLU 104 Cb 0.52 0.19 -0.15 0.00 -0.84 0.00 0.00 28.75 28.47 1cff h GLU 104 CO -0.72 -0.56 -0.15 -0.07 -1.40 0.00 0.00 179.01 176.11 1cff h LEU 105 N -0.88 -0.65 -0.06 1.33 -0.00 -1.58 1.81 115.31 115.28 1cff h LEU 105 Ca -0.09 0.23 0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1cff h LEU 105 Cb 0.67 0.46 -0.02 0.00 -0.00 0.00 0.00 40.66 41.77 1cff h LEU 105 CO 0.15 -0.25 -0.12 0.03 -0.00 0.00 0.00 178.44 178.24 1cff h ARG 106 N 0.02 -0.11 0.12 1.13 3.08 0.13 0.58 114.38 119.33 1cff h ARG 106 Ca 0.39 0.01 -0.29 0.00 0.07 0.00 0.00 59.98 60.16 1cff h ARG 106 Cb 0.63 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1cff h ARG 106 CO -0.79 -0.07 -1.39 1.25 -1.07 0.00 0.00 179.97 177.90 1cff h HIS 107 N -0.11 0.47 -0.18 3.04 2.76 -1.20 -2.64 115.15 117.28 1cff h HIS 107 Ca 0.01 -0.34 -0.10 0.00 -2.20 0.00 0.00 60.37 57.74 1cff h HIS 107 Cb 0.15 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 1cff h HIS 107 CO -0.54 1.33 -0.28 0.28 -1.30 0.00 0.00 177.93 177.42 1cff h VAL 108 N 0.07 1.34 0.00 5.26 2.07 0.28 -2.67 116.25 122.60 1cff h VAL 108 Ca -0.19 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1cff h VAL 108 Cb 2.00 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1cff h VAL 108 CO 0.18 0.46 -0.53 -0.03 0.02 0.00 0.00 177.57 177.67 1cff h MET 109 N 0.14 0.00 0.05 1.57 -1.53 0.16 -2.44 114.93 112.89 1cff h MET 109 Ca 0.01 0.00 -0.24 0.00 -3.44 0.00 0.00 59.70 56.04 1cff h MET 109 Cb 0.86 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.89 1cff h MET 109 CO 0.06 0.00 -1.13 0.00 0.14 0.00 0.00 176.91 175.98 1cff h THR 110 N 0.00 1.59 0.01 -0.77 1.03 -1.36 -3.18 112.91 110.22 1cff h THR 110 Ca 0.00 -3.25 -0.22 0.00 -0.01 0.00 0.00 66.41 62.93 1cff h THR 110 Cb 0.76 2.86 -0.03 0.00 -1.07 0.00 0.00 68.15 70.67 1cff h THR 110 CO 0.00 0.93 -1.07 0.78 -0.01 0.00 0.00 175.52 176.15 1cff h ASN 111 N 0.03 0.02 -0.29 0.00 4.21 -1.54 -3.26 115.58 114.74 1cff h ASN 111 Ca -0.07 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.40 1cff h ASN 111 Cb 1.86 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 39.04 1cff h ASN 111 CO 0.15 1.02 0.14 0.25 -1.29 0.00 0.00 177.43 177.70 1cff h LEU 112 N 0.00 0.42 0.00 1.61 6.46 -1.45 -3.46 115.31 118.89 1cff h LEU 112 Ca -0.04 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1cff h LEU 112 Cb 1.80 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.62 1cff h LEU 112 CO 0.13 0.38 0.00 0.61 -0.62 0.00 0.00 178.44 178.94 1cff n GLY 113 N -1.26 -1.59 0.00 3.75 0.00 -1.21 -5.09 105.19 99.78 1cff n GLY 113 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1cff n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cff n GLU 114 N 0.00 -0.36 -2.75 1.61 0.28 -1.21 -4.95 120.64 113.27 1cff n GLU 114 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1cff n GLU 114 Cb 0.00 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.95 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1cff n LYS 115 N -1.03 1.57 -1.52 3.44 4.81 -1.26 -4.04 118.16 120.14 1cff n LYS 115 Ca 0.00 -2.67 -0.30 0.00 -0.87 0.00 0.00 58.31 54.47 1cff n LYS 115 Cb 0.00 -0.86 -0.14 0.00 0.02 0.00 0.00 35.03 34.05 1cff n LYS 115 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1cff n LEU 116 N -0.92 0.33 -4.06 3.14 -0.00 -1.26 -4.88 117.00 109.36 1cff n LEU 116 Ca -0.02 -0.42 -0.20 0.00 -0.00 0.00 0.00 56.01 55.37 1cff n LEU 116 Cb 0.83 -1.03 0.18 0.00 -0.00 0.00 0.00 43.42 43.40 1cff n LEU 116 CO -0.01 -1.38 0.13 0.35 -0.00 0.00 0.00 177.39 176.47 1cff n THR 117 N 7.17 0.00 0.24 1.47 -2.24 -1.26 -3.94 114.28 115.72 1cff n THR 117 Ca 0.59 -0.03 0.17 0.00 -2.27 0.00 0.00 64.05 62.50 1cff n THR 117 Cb 0.22 -0.60 0.87 0.00 -2.10 0.00 0.00 70.33 68.72 1cff n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1cff h ASP 118 N -2.91 0.00 0.04 3.42 1.82 -1.98 -0.57 116.42 116.23 1cff h ASP 118 Ca -0.27 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.29 1cff h ASP 118 Cb 0.87 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.89 1cff h ASP 118 CO 0.17 0.00 -0.33 -0.33 -1.61 0.00 0.00 179.24 177.14 1cff h GLU 119 N 0.00 0.15 0.57 0.28 3.07 -1.98 -2.77 114.58 113.89 1cff h GLU 119 Ca 0.06 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.68 1cff h GLU 119 Cb 0.36 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1cff h GLU 119 CO -0.00 1.05 -0.39 0.93 -1.40 0.00 0.00 179.01 179.20 1cff h GLU 120 N -0.65 -0.89 -0.91 2.33 4.39 -1.51 -2.52 114.58 114.81 1cff h GLU 120 Ca -0.05 0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1cff h GLU 120 Cb 1.21 0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 29.99 1cff h GLU 120 CO 0.06 -0.59 0.59 -0.24 -1.16 0.00 0.00 179.01 177.66 1cff h VAL 121 N -0.93 0.90 0.16 3.13 3.04 -1.27 0.67 116.25 121.95 1cff h VAL 121 Ca -0.07 -0.28 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1cff h VAL 121 Cb 0.77 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1cff h VAL 121 CO 0.04 0.15 -0.24 -0.78 -1.01 0.00 0.00 177.57 175.73 1cff h ASP 122 N 0.83 -0.68 -0.39 3.17 1.82 -1.16 0.13 116.42 120.15 1cff h ASP 122 Ca 0.45 0.06 -0.14 0.00 -0.39 0.00 0.00 57.03 57.01 1cff h ASP 122 Cb 0.55 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1cff h ASP 122 CO -0.21 -0.29 -0.27 -0.33 -1.61 0.00 0.00 179.24 176.54 1cff h GLU 123 N -0.41 0.91 -0.15 0.28 5.08 -1.24 -1.98 114.58 117.07 1cff h GLU 123 Ca -0.02 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 57.98 1cff h GLU 123 Cb 0.38 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1cff h GLU 123 CO -0.07 1.06 -0.32 1.98 -1.00 0.00 0.00 179.01 180.67 1cff h MET 124 N 0.77 -0.37 0.00 2.33 4.05 0.47 1.05 114.93 123.25 1cff h MET 124 Ca 0.09 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1cff h MET 124 Cb 0.83 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1cff h MET 124 CO 0.07 -0.24 0.00 0.82 0.23 0.00 0.00 176.91 177.79 1cff h ILE 125 N -0.38 0.00 0.12 1.77 1.08 -0.74 0.66 117.51 120.03 1cff h ILE 125 Ca 0.10 -0.37 -0.17 0.00 -0.39 0.00 0.00 64.86 64.03 1cff h ILE 125 Cb 0.54 1.21 0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1cff h ILE 125 CO -0.37 0.00 -0.75 0.03 -0.69 0.00 0.00 178.15 176.38 1cff h ARG 126 N 0.00 0.29 0.01 2.37 3.08 0.10 -2.01 114.38 118.22 1cff h ARG 126 Ca 0.00 -0.48 -0.24 0.00 0.07 0.00 0.00 59.98 59.34 1cff h ARG 126 Cb 0.47 0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.70 1cff h ARG 126 CO 0.00 1.22 -0.98 0.93 -1.07 0.00 0.00 179.97 180.07 1cff h GLU 127 N -0.38 0.46 -0.56 0.04 5.08 0.12 -3.09 114.58 116.26 1cff h GLU 127 Ca -0.13 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.71 1cff h GLU 127 Cb 1.58 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.95 1cff h GLU 127 CO 0.14 1.15 0.29 0.00 -1.00 0.00 0.00 179.01 179.59 1cff h ALA 128 N 0.67 1.46 -2.54 3.43 0.00 0.25 -3.41 119.26 119.12 1cff h ALA 128 Ca -0.09 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.19 1cff h ALA 128 Cb 1.62 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 19.21 1cff h ALA 128 CO 0.17 0.44 0.82 0.34 0.00 0.00 0.00 179.25 181.02 1cff s ASP 129 N -6.55 6.72 -0.15 0.00 -1.08 -0.76 -4.93 116.67 109.93 1cff s ASP 129 Ca -0.09 2.42 -0.12 0.00 -0.52 0.00 0.00 52.55 54.23 1cff s ASP 129 Cb 0.17 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.98 1cff s ASP 129 CO 0.77 -0.74 -0.27 -0.38 0.52 0.00 0.00 175.17 175.07 1cff n ILE 130 N 4.12 1.33 0.05 4.11 -0.00 -1.26 -4.70 119.36 123.01 1cff n ILE 130 Ca 0.13 0.02 -0.12 0.00 -0.00 0.00 0.00 62.75 62.78 1cff n ILE 130 Cb 0.41 -2.02 -0.05 0.00 -0.00 0.00 0.00 39.64 37.97 1cff n ILE 130 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 1cff h ASP 131 N -0.76 -1.06 0.00 4.38 3.04 -1.95 -3.47 116.42 116.60 1cff h ASP 131 Ca -0.20 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 1cff h ASP 131 Cb 1.03 0.43 0.00 0.00 -1.04 0.00 0.00 39.33 39.74 1cff h ASP 131 CO -0.12 -0.40 0.00 0.61 -2.04 0.00 0.00 179.24 177.28 1cff n GLY 132 N -1.42 0.66 0.09 7.15 0.00 -1.26 -5.03 105.19 105.37 1cff n GLY 132 Ca -0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 1cff n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cff n ASP 133 N 0.00 0.48 0.00 1.61 9.92 -1.26 -4.96 116.55 122.34 1cff n ASP 133 Ca 0.00 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1cff n ASP 133 Cb 0.00 0.53 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cff n GLY 134 N 1.57 0.73 0.00 0.44 0.00 -1.26 -5.09 105.19 101.58 1cff n GLY 134 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1cff n GLY 134 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cff n GLN 135 N 0.00 0.00 -3.63 1.61 7.27 -1.26 -4.97 117.38 116.39 1cff n GLN 135 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1cff n GLN 135 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1cff s VAL 136 N 1.06 0.41 -0.13 1.69 1.01 -1.26 -4.71 120.40 118.47 1cff s VAL 136 Ca 0.00 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1cff s VAL 136 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1cff s VAL 136 CO 0.00 -0.72 0.55 0.54 0.00 0.00 0.00 175.10 175.47 1cff s ASN 137 N 1.80 6.73 0.29 3.32 2.20 -1.26 -2.68 114.94 125.35 1cff s ASN 137 Ca 0.10 0.87 0.23 0.00 -0.94 0.00 0.00 52.86 53.12 1cff s ASN 137 Cb -0.17 -2.32 0.97 0.00 -2.00 0.00 0.00 41.25 37.73 1cff s ASN 137 CO -0.29 -0.09 0.97 0.00 -2.94 0.00 0.00 177.10 174.75 1cff n TYR 138 N 4.06 0.32 -0.40 1.54 9.36 -1.26 0.15 117.16 130.94 1cff n TYR 138 Ca -0.05 0.32 0.33 0.00 3.32 0.00 0.00 57.90 61.83 1cff n TYR 138 Cb 0.51 -0.69 0.65 0.00 -0.63 0.00 0.00 39.34 39.18 1cff n TYR 138 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1cff h GLU 139 N 0.00 0.15 0.00 2.98 -0.00 -1.94 0.66 114.58 116.42 1cff h GLU 139 Ca 0.56 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.36 59.83 1cff h GLU 139 Cb 1.94 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 30.64 1cff h GLU 139 CO -0.21 0.10 -0.47 0.93 -0.00 0.00 0.00 179.01 179.35 1cff h GLU 140 N 0.16 0.00 -1.29 1.06 5.08 0.11 -2.72 114.58 116.98 1cff h GLU 140 Ca 0.69 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 59.43 1cff h GLU 140 Cb 2.26 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.44 1cff h GLU 140 CO -0.23 0.91 0.89 0.35 -1.00 0.00 0.00 179.01 179.93 1cff h PHE 141 N -1.00 0.25 0.00 4.33 3.04 -0.42 0.17 116.94 123.32 1cff h PHE 141 Ca -0.13 0.01 -0.20 0.00 3.98 0.00 0.00 57.97 61.64 1cff h PHE 141 Cb 1.04 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 1cff h PHE 141 CO 0.18 -0.02 -1.13 -0.39 -2.02 0.00 0.00 178.31 174.93 1cff h VAL 142 N 0.11 0.83 -0.28 1.41 -1.51 -0.01 -2.67 116.25 114.13 1cff h VAL 142 Ca 0.67 -2.04 0.07 0.00 -1.23 0.00 0.00 66.70 64.18 1cff h VAL 142 Cb 2.35 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 33.48 1cff h VAL 142 CO -0.15 0.28 0.20 0.06 -1.23 0.00 0.00 177.57 176.73 1cff h GLN 143 N -1.00 0.03 0.17 5.19 3.07 -1.06 1.44 115.11 122.95 1cff h GLN 143 Ca -0.30 -0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.13 1cff h GLN 143 Cb 1.19 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.76 1cff h GLN 143 CO -0.18 0.02 -1.50 1.98 0.09 0.00 0.00 178.83 179.24 1cff h MET 144 N 0.03 0.37 0.00 0.06 4.05 -0.84 -2.97 114.93 115.63 1cff h MET 144 Ca 0.13 -0.63 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1cff h MET 144 Cb 0.49 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1cff h MET 144 CO -0.01 1.30 -0.37 -0.12 0.23 0.00 0.00 176.91 177.95 1cff n MET 145 N -3.77 0.32 0.18 0.39 0.00 -0.81 -4.72 117.12 108.70 1cff n MET 145 Ca -0.22 0.43 -0.07 0.00 -0.00 0.00 0.00 57.70 57.84 1cff n MET 145 Cb 1.00 -1.40 -0.03 0.00 0.00 0.00 0.00 33.22 32.79 1cff n MET 145 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1cff h THR 146 N -0.70 0.00 0.00 1.12 1.35 0.17 -3.49 112.91 111.36 1cff h THR 146 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1cff h THR 146 Cb 0.37 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.79 1cff h THR 146 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1cff n ALA 147 N -2.23 0.00 0.00 6.62 0.00 0.09 -4.99 120.51 119.99 1cff n ALA 147 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1cff n ALA 147 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1cff n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86