#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff s ASP 2 N 0.00 0.89 0.02 0.00 1.11 -1.26 -5.09 116.67 112.35 1cff s ASP 2 Ca 0.00 -0.86 -0.08 0.00 0.18 0.00 0.00 52.55 51.80 1cff s ASP 2 Cb 0.00 0.10 -0.03 0.00 1.07 0.00 0.00 42.92 44.05 1cff s ASP 2 CO 0.00 -0.41 1.12 1.56 1.18 0.00 0.00 175.17 178.62 1cff h GLN 3 N 3.50 -0.18 -6.04 8.23 1.08 -2.12 -3.42 115.11 116.15 1cff h GLN 3 Ca -0.35 0.01 -0.60 0.00 -1.45 0.00 0.00 58.65 56.26 1cff h GLN 3 Cb 1.17 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.60 1cff h GLN 3 CO 0.57 -0.12 -0.36 -1.17 -0.95 0.00 0.00 178.83 176.80 1cff s LEU 4 N -5.85 4.32 0.24 1.46 0.20 -1.26 -5.08 118.68 112.71 1cff s LEU 4 Ca -0.04 0.54 -0.30 0.00 0.69 0.00 0.00 54.13 55.02 1cff s LEU 4 Cb 0.01 -3.03 -0.09 0.00 -0.43 0.00 0.00 46.19 42.65 1cff s LEU 4 CO 0.13 0.14 0.93 0.42 -0.29 0.00 0.00 176.35 177.68 1cff s THR 5 N -1.50 4.09 -0.54 3.68 -4.23 -1.26 -4.96 115.64 110.92 1cff s THR 5 Ca 0.35 2.06 0.23 0.00 -1.18 0.00 0.00 61.69 63.16 1cff s THR 5 Cb -0.13 -4.31 -0.08 0.00 1.34 0.00 0.00 72.50 69.32 1cff s THR 5 CO 0.22 0.49 1.06 -0.62 -0.54 0.00 0.00 174.62 175.23 1cff n GLU 6 N 1.47 0.35 0.08 3.99 1.02 -1.26 -3.76 120.64 122.53 1cff n GLU 6 Ca -0.02 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1cff n GLU 6 Cb 0.47 -1.64 -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 -0.23 0.04 3.49 4.81 -1.98 -2.24 114.58 118.47 1cff h GLU 7 Ca 0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1cff h GLU 7 Cb 0.78 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1cff h GLU 7 CO 0.00 -0.15 -0.02 1.96 -0.73 0.00 0.00 179.01 180.07 1cff h GLN 8 N -0.47 -0.05 -0.61 1.92 4.20 -2.01 -3.06 115.11 115.01 1cff h GLN 8 Ca -0.02 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.81 1cff h GLN 8 Cb 0.18 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.88 1cff h GLN 8 CO 0.04 0.26 0.06 0.97 -0.67 0.00 0.00 178.83 179.49 1cff h ILE 9 N -0.37 0.55 -0.99 2.54 2.10 -1.74 0.27 117.51 119.86 1cff h ILE 9 Ca -0.01 -0.06 0.31 0.00 1.08 0.00 0.00 64.86 66.19 1cff h ILE 9 Cb 0.34 0.36 -0.15 0.00 -1.09 0.00 0.00 36.82 36.28 1cff h ILE 9 CO 0.01 0.03 0.55 0.00 -1.08 0.00 0.00 178.15 177.66 1cff h ALA 10 N 1.53 1.90 -0.43 0.18 0.00 -1.30 1.56 119.26 122.70 1cff h ALA 10 Ca 0.32 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.47 1cff h ALA 10 Cb 0.52 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1cff h ALA 10 CO -0.48 -0.55 0.17 0.93 0.00 0.00 0.00 179.25 179.32 1cff h GLU 11 N 0.33 0.34 -0.41 0.00 4.39 -0.44 1.41 114.58 120.19 1cff h GLU 11 Ca 0.72 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.43 1cff h GLU 11 Cb 1.61 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 1cff h GLU 11 CO -0.60 0.22 0.28 0.35 -1.16 0.00 0.00 179.01 178.09 1cff h PHE 12 N 0.35 0.43 -0.44 4.33 3.57 0.22 0.11 116.94 125.51 1cff h PHE 12 Ca 0.20 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1cff h PHE 12 Cb 0.18 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1cff h PHE 12 CO -0.14 0.25 -0.21 -0.22 -2.23 0.00 0.00 178.31 175.77 1cff h LYS 13 N 0.45 0.87 -0.90 1.11 3.11 0.33 -0.46 116.57 121.08 1cff h LYS 13 Ca 0.17 -0.35 0.17 0.00 -2.81 0.00 0.00 60.65 57.82 1cff h LYS 13 Cb 0.11 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.23 1cff h LYS 13 CO -0.04 1.00 0.58 0.93 -2.81 0.00 0.00 179.45 179.11 1cff h GLU 14 N 0.76 0.57 0.01 1.90 5.08 0.42 0.64 114.58 123.96 1cff h GLU 14 Ca 0.11 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1cff h GLU 14 Cb 0.74 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1cff h GLU 14 CO 0.06 0.37 -0.00 0.00 -1.00 0.00 0.00 179.01 178.44 1cff h ALA 15 N 1.61 -0.01 0.00 3.43 0.00 -1.23 -2.79 119.26 120.27 1cff h ALA 15 Ca 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cff h ALA 15 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1cff h ALA 15 CO -0.21 -0.04 0.35 0.35 0.00 0.00 0.00 179.25 179.70 1cff h PHE 16 N -0.95 0.00 0.09 0.00 3.04 0.27 2.60 116.94 122.00 1cff h PHE 16 Ca -0.00 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.60 1cff h PHE 16 Cb 0.83 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 1cff h PHE 16 CO 0.22 0.00 -1.91 0.45 -2.02 0.00 0.00 178.31 175.06 1cff n SER 17 N -2.60 1.77 0.12 0.41 2.88 0.21 -3.63 113.62 112.78 1cff n SER 17 Ca -0.02 0.27 -0.24 0.00 -1.33 0.00 0.00 58.87 57.56 1cff n SER 17 Cb 0.39 -0.64 -0.16 0.00 -0.75 0.00 0.00 64.21 63.05 1cff n SER 17 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1cff h LEU 18 N 0.05 0.76 -1.98 2.46 4.07 -0.20 -3.22 115.31 117.26 1cff h LEU 18 Ca -0.38 -0.91 0.16 0.00 0.08 0.00 0.00 57.88 56.83 1cff h LEU 18 Cb 2.03 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 43.50 1cff h LEU 18 CO 0.09 1.73 0.48 0.15 -1.08 0.00 0.00 178.44 179.81 1cff h PHE 19 N 0.13 0.00 0.00 1.13 3.04 0.41 1.23 116.94 122.89 1cff h PHE 19 Ca -0.29 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1cff h PHE 19 Cb 2.15 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.66 1cff h PHE 19 CO 0.12 0.00 0.00 0.22 -2.02 0.00 0.00 178.31 176.63 1cff h ASP 20 N 0.00 0.00 -6.98 0.41 3.58 -1.62 -3.45 116.42 108.36 1cff h ASP 20 Ca 0.26 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 57.11 1cff h ASP 20 Cb 1.21 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.09 1cff h ASP 20 CO -0.00 0.00 -0.96 1.17 -2.88 0.00 0.00 179.24 176.57 1cff n LYS 21 N -2.72 -1.31 0.00 0.28 3.00 0.42 -4.45 118.16 113.39 1cff n LYS 21 Ca 0.01 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1cff n LYS 21 Cb 0.26 -3.70 0.00 0.00 0.00 0.00 0.00 35.03 31.59 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 -2.88 0.00 -0.94 3.14 5.68 -1.26 -4.99 116.55 115.30 1cff n ASP 22 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 1cff n ASP 22 Cb 0.69 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 23 N -0.25 0.86 0.00 6.12 0.00 -1.26 -5.02 105.19 105.63 1cff n GLY 23 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.92 1.78 -0.57 1.61 2.03 -1.26 -4.99 116.55 114.23 1cff n ASP 24 Ca 0.00 -0.35 -0.07 0.00 0.52 0.00 0.00 54.79 54.89 1cff n ASP 24 Cb 0.31 1.08 -0.03 0.00 -0.72 0.00 0.00 41.12 41.76 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 1.58 0.82 3.27 0.27 0.00 -1.26 -4.93 105.19 104.93 1cff n GLY 25 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.88 -0.34 -0.31 2.61 -4.23 -1.26 -4.61 115.64 105.62 1cff s THR 26 Ca 0.00 0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 60.43 1cff s THR 26 Cb 0.00 -0.64 -0.01 0.00 1.34 0.00 0.00 72.50 73.19 1cff s THR 26 CO 0.00 0.06 0.66 -0.63 -0.54 0.00 0.00 174.62 174.17 1cff s ILE 27 N 2.03 4.90 0.30 2.99 -1.09 -0.90 -4.88 121.20 124.56 1cff s ILE 27 Ca -0.05 0.92 0.02 0.00 -2.23 0.00 0.00 60.65 59.30 1cff s ILE 27 Cb -0.10 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1cff s ILE 27 CO -0.13 -0.17 0.06 0.41 -1.23 0.00 0.00 174.94 173.88 1cff n THR 28 N 5.43 0.00 0.32 2.92 -1.04 -1.26 -1.36 114.28 119.30 1cff n THR 28 Ca 0.00 -1.62 0.21 0.00 -2.04 0.00 0.00 64.05 60.61 1cff n THR 28 Cb 0.49 0.48 1.10 0.00 -1.82 0.00 0.00 70.33 70.57 1cff n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1cff h THR 29 N 1.35 0.00 -0.41 12.58 1.35 -1.95 -0.19 112.91 125.65 1cff h THR 29 Ca -0.24 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 1cff h THR 29 Cb 0.84 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1cff h THR 29 CO 0.39 0.00 0.22 0.50 -0.25 0.00 0.00 175.52 176.39 1cff h LYS 30 N 0.00 0.56 0.05 4.72 3.64 -1.96 1.26 116.57 124.84 1cff h LYS 30 Ca 0.00 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 1cff h LYS 30 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1cff h LYS 30 CO 0.00 0.45 -1.17 1.05 -2.27 0.00 0.00 179.45 177.51 1cff h GLU 31 N 0.52 0.10 -0.08 1.90 9.09 -1.68 -2.68 114.58 121.75 1cff h GLU 31 Ca 0.14 -0.17 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 1cff h GLU 31 Cb 0.05 0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1cff h GLU 31 CO -0.02 1.08 0.02 1.25 0.05 0.00 0.00 179.01 181.38 1cff h LEU 32 N -0.69 0.10 0.03 3.06 7.12 -1.10 -1.71 115.31 122.12 1cff h LEU 32 Ca -0.29 -0.01 -0.27 0.00 0.13 0.00 0.00 57.88 57.44 1cff h LEU 32 Cb 1.46 -0.02 0.02 0.00 -0.53 0.00 0.00 40.66 41.59 1cff h LEU 32 CO -0.07 0.11 -1.15 1.23 -0.13 0.00 0.00 178.44 178.42 1cff h GLY 33 N 0.21 0.59 0.49 3.75 0.00 0.15 -2.46 103.07 105.79 1cff h GLY 33 Ca 0.03 -1.19 0.11 0.00 0.00 0.00 0.00 47.33 46.28 1cff h GLY 33 CO -0.00 1.05 0.60 -0.84 0.00 0.00 0.00 176.54 177.35 1cff h THR 34 N 0.24 0.93 -0.01 4.70 2.02 -0.96 0.81 112.91 120.64 1cff h THR 34 Ca -0.15 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 66.51 1cff h THR 34 Cb 1.82 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1cff h THR 34 CO 0.21 0.18 -0.82 1.62 0.37 0.00 0.00 175.52 177.08 1cff h VAL 35 N 0.97 1.47 0.00 3.16 3.04 -1.48 1.16 116.25 124.57 1cff h VAL 35 Ca 0.48 -2.48 0.00 0.00 -1.01 0.00 0.00 66.70 63.68 1cff h VAL 35 Cb 0.45 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 1cff h VAL 35 CO -0.26 0.73 0.00 0.23 -1.01 0.00 0.00 177.57 177.26 1cff n MET 36 N -3.70 0.18 -0.04 4.17 2.81 -0.04 -1.79 117.12 118.70 1cff n MET 36 Ca -0.03 0.37 -0.05 0.00 -1.81 0.00 0.00 57.70 56.18 1cff n MET 36 Cb 0.77 -1.82 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 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 -2.15 0.19 0.12 0.03 1.74 0.08 -1.05 116.66 115.61 1cff n ARG 37 Ca 0.03 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 1cff n ARG 37 Cb 0.25 -1.14 0.48 0.00 -1.02 0.00 0.00 32.46 31.02 1cff n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1cff n SER 38 N -2.73 0.56 0.00 0.55 2.88 0.40 -2.30 113.62 112.98 1cff n SER 38 Ca -0.13 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1cff n SER 38 Cb 0.64 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 39 N -2.15 0.50 -3.67 2.46 7.99 -0.74 -5.01 117.00 116.37 1cff n LEU 39 Ca 0.01 -0.54 -0.25 0.00 -0.01 0.00 0.00 56.01 55.22 1cff n LEU 39 Cb 0.18 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.55 1cff n LEU 39 CO 0.16 0.12 0.21 0.61 -1.51 0.00 0.00 177.39 176.99 1cff n GLY 40 N 0.09 -0.53 2.71 -0.72 0.00 -0.97 -4.87 105.19 100.90 1cff n GLY 40 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.90 3.98 -3.25 1.61 1.13 -0.22 -4.71 117.38 111.01 1cff n GLN 41 Ca 0.00 -3.48 -0.11 0.00 -1.94 0.00 0.00 57.00 51.47 1cff n GLN 41 Cb 0.56 -2.81 0.01 0.00 0.11 0.00 0.00 30.24 28.10 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1cff n ASN 42 N 3.07 -6.86 -4.55 1.08 5.03 -1.26 -4.71 115.26 107.06 1cff n ASN 42 Ca 0.48 -0.20 -0.43 0.00 0.87 0.00 0.00 54.58 55.31 1cff n ASN 42 Cb 0.32 -4.06 -0.04 0.00 -1.02 0.00 0.00 39.78 34.99 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 -3.38 3.45 0.24 3.52 0.04 -1.22 -4.84 135.00 132.80 1cff s PRO 43 Ca 0.08 0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.15 1cff s PRO 43 Cb -0.02 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 1cff s PRO 43 CO 0.80 -1.44 0.05 0.95 0.04 0.00 0.00 177.00 177.40 1cff s THR 44 N 4.11 0.73 0.01 1.26 -4.23 -1.26 -5.05 115.64 111.21 1cff s THR 44 Ca 0.36 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 1cff s THR 44 Cb -0.10 -2.46 -0.24 0.00 1.34 0.00 0.00 72.50 71.04 1cff s THR 44 CO 0.23 -0.18 0.87 -0.33 -0.54 0.00 0.00 174.62 174.67 1cff h GLU 45 N 2.46 0.07 0.09 3.99 3.07 -2.00 -3.33 114.58 118.93 1cff h GLU 45 Ca -0.38 -0.13 -0.31 0.00 -0.50 0.00 0.00 59.36 58.04 1cff h GLU 45 Cb 1.23 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.17 1cff h GLU 45 CO 0.63 0.83 -1.67 0.00 -1.40 0.00 0.00 179.01 177.39 1cff h ALA 46 N 0.83 0.44 0.33 3.43 0.00 -1.97 -3.24 119.26 119.07 1cff h ALA 46 Ca -0.20 -1.26 -0.02 0.00 0.00 0.00 0.00 54.91 53.43 1cff h ALA 46 Cb 1.95 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.16 1cff h ALA 46 CO 0.11 1.30 -0.16 1.49 0.00 0.00 0.00 179.25 182.00 1cff h GLU 47 N 0.05 -0.42 -0.43 0.00 4.81 -1.94 0.22 114.58 116.86 1cff h GLU 47 Ca -0.29 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1cff h GLU 47 Cb 2.01 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.47 1cff h GLU 47 CO 0.12 -0.28 0.54 1.37 -0.73 0.00 0.00 179.01 180.03 1cff h LEU 48 N -0.61 0.00 -0.18 1.64 -0.00 -1.79 1.59 115.31 115.96 1cff h LEU 48 Ca -0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.67 1cff h LEU 48 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1cff h LEU 48 CO 0.07 0.00 -0.53 -0.61 -0.00 0.00 0.00 178.44 177.38 1cff h GLN 49 N 0.00 0.67 -0.02 0.17 4.15 -1.53 0.15 115.11 118.70 1cff h GLN 49 Ca 0.21 -0.49 -0.16 0.00 0.77 0.00 0.00 58.65 58.98 1cff h GLN 49 Cb 1.28 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 1cff h GLN 49 CO -0.00 1.11 -0.71 0.22 -1.93 0.00 0.00 178.83 177.51 1cff h ASP 50 N 0.36 0.17 0.66 -0.69 1.82 0.49 0.46 116.42 119.69 1cff h ASP 50 Ca -0.02 -0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.43 1cff h ASP 50 Cb 1.15 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 1cff h ASP 50 CO 0.11 0.82 -0.37 -0.03 -1.61 0.00 0.00 179.24 178.16 1cff h MET 51 N 0.10 0.00 0.06 0.28 4.05 0.18 0.13 114.93 119.73 1cff h MET 51 Ca -0.02 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.12 1cff h MET 51 Cb 1.26 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.03 1cff h MET 51 CO 0.10 0.37 -1.51 0.82 0.23 0.00 0.00 176.91 176.93 1cff h ILE 52 N 0.00 0.85 -0.00 1.77 1.08 -0.39 -3.35 117.51 117.47 1cff h ILE 52 Ca -0.00 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 1cff h ILE 52 Cb 0.80 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 1cff h ILE 52 CO 0.05 0.57 0.00 0.59 -0.69 0.00 0.00 178.15 178.67 1cff n ASN 53 N -4.05 0.01 -0.03 1.72 3.02 0.16 -3.72 115.26 112.37 1cff n ASN 53 Ca -0.31 -1.29 -0.15 0.00 -0.03 0.00 0.00 54.58 52.81 1cff n ASN 53 Cb 0.83 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.89 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1cff h GLU 54 N 0.02 0.18 -0.96 3.52 4.39 -0.86 -3.26 114.58 117.60 1cff h GLU 54 Ca 0.00 -0.18 -0.44 0.00 0.34 0.00 0.00 59.36 59.09 1cff h GLU 54 Cb 0.00 0.05 -0.26 0.00 -0.10 0.00 0.00 28.75 28.44 1cff h GLU 54 CO 0.00 0.88 0.55 1.55 -1.16 0.00 0.00 179.01 180.83 1cff n VAL 55 N -4.53 3.01 -1.87 3.13 3.14 -1.24 -4.68 118.33 115.29 1cff n VAL 55 Ca -0.09 -1.74 -0.35 0.00 -2.96 0.00 0.00 64.34 59.20 1cff n VAL 55 Cb 0.48 -0.49 -0.02 0.00 -1.06 0.00 0.00 33.84 32.75 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 -0.87 7.41 -0.22 6.55 8.00 -1.23 -4.67 116.55 131.51 1cff n ASP 56 Ca 0.53 -3.25 0.02 0.00 0.71 0.00 0.00 54.79 52.80 1cff n ASP 56 Cb 1.55 -1.28 0.13 0.00 -0.02 0.00 0.00 41.12 41.49 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 3.92 0.71 0.00 2.24 0.00 -1.89 0.11 119.26 124.36 1cff h ALA 57 Ca 0.57 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.65 1cff h ALA 57 Cb 0.44 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1cff h ALA 57 CO 1.23 -0.37 -1.16 -0.40 0.00 0.00 0.00 179.25 178.55 1cff n ASP 58 N -5.24 0.74 -4.35 0.00 5.75 -1.26 -4.97 116.55 107.22 1cff n ASP 58 Ca 0.11 0.29 -0.34 0.00 -0.01 0.00 0.00 54.79 54.83 1cff n ASP 58 Cb 0.39 0.61 -0.08 0.00 -1.03 0.00 0.00 41.12 41.01 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 1.21 -0.23 0.21 6.12 0.00 0.40 -4.79 105.19 108.10 1cff n GLY 59 Ca -0.01 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1cff n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cff h ASN 60 N -1.50 0.00 0.00 1.61 -1.07 -1.93 -3.45 115.58 109.23 1cff h ASN 60 Ca -0.64 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.73 1cff h ASN 60 Cb 1.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.64 1cff h ASN 60 CO 0.76 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.87 1cff n GLY 61 N 0.09 2.77 3.55 9.14 0.00 -1.26 -5.14 105.19 114.34 1cff n GLY 61 Ca 0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1cff n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 62 N 0.00 0.00 0.39 2.61 -4.23 -1.26 -5.03 115.64 108.11 1cff s THR 62 Ca 0.00 -1.48 -0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1cff s THR 62 Cb 0.00 -2.38 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 1cff s THR 62 CO 0.00 0.00 1.23 -0.63 -0.54 0.00 0.00 174.62 174.68 1cff s ILE 63 N -3.68 2.94 0.13 2.99 1.09 -0.46 -4.88 121.20 119.32 1cff s ILE 63 Ca 0.25 0.83 0.09 0.00 -1.10 0.00 0.00 60.65 60.72 1cff s ILE 63 Cb -0.00 -3.49 -0.04 0.00 -1.06 0.00 0.00 42.46 37.87 1cff s ILE 63 CO 0.12 0.11 -0.20 1.51 -0.10 0.00 0.00 174.94 176.39 1cff s ASP 64 N -0.91 2.66 0.23 3.58 -4.77 -1.26 -2.12 116.67 114.08 1cff s ASP 64 Ca 0.55 -0.77 -0.12 0.00 -3.30 0.00 0.00 52.55 48.91 1cff s ASP 64 Cb -0.34 -0.15 0.32 0.00 -1.09 0.00 0.00 42.92 41.65 1cff s ASP 64 CO 0.44 0.02 1.44 0.33 0.70 0.00 0.00 175.17 178.10 1cff n PHE 65 N 0.70 0.17 -0.00 2.11 7.35 -1.26 -0.92 117.46 125.61 1cff n PHE 65 Ca -0.16 1.13 -0.13 0.00 -0.76 0.00 0.00 57.45 57.53 1cff n PHE 65 Cb 0.55 -0.94 -0.09 0.00 0.35 0.00 0.00 39.48 39.35 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 0.01 -0.38 -7.13 0.13 -1.99 -2.83 132.00 119.82 1cff h PRO 66 Ca 0.38 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.45 1cff h PRO 66 Cb 0.61 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1cff h PRO 66 CO -0.93 0.40 0.02 1.05 -0.23 0.00 0.00 178.00 178.31 1cff h GLU 67 N -0.37 0.65 -0.95 0.86 4.11 -1.75 -0.82 114.58 116.31 1cff h GLU 67 Ca 0.00 -0.20 0.09 0.00 0.07 0.00 0.00 59.36 59.33 1cff h GLU 67 Cb 0.39 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1cff h GLU 67 CO 0.00 0.74 0.61 0.35 0.07 0.00 0.00 179.01 180.78 1cff h PHE 68 N 0.48 1.06 0.33 2.06 3.04 -1.12 -2.67 116.94 120.12 1cff h PHE 68 Ca 0.11 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 1cff h PHE 68 Cb 0.43 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1cff h PHE 68 CO 0.03 0.49 -0.16 1.25 -2.02 0.00 0.00 178.31 177.90 1cff h LEU 69 N 0.99 -0.38 -0.95 0.59 5.85 -1.22 -2.49 115.31 117.69 1cff h LEU 69 Ca 0.44 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.46 1cff h LEU 69 Cb 0.36 0.10 -0.18 0.00 0.37 0.00 0.00 40.66 41.32 1cff h LEU 69 CO -0.20 -0.13 0.12 0.35 -0.34 0.00 0.00 178.44 178.25 1cff n THR 70 N -3.97 -0.40 -0.03 1.05 -2.24 -0.34 0.16 114.28 108.52 1cff n THR 70 Ca -0.06 2.05 -0.15 0.00 -2.27 0.00 0.00 64.05 63.63 1cff n THR 70 Cb 0.18 -3.06 -0.09 0.00 -2.10 0.00 0.00 70.33 65.25 1cff n THR 70 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1cff h MET 71 N 0.00 0.34 0.00 -0.78 1.85 -1.57 0.17 114.93 114.94 1cff h MET 71 Ca 0.62 -0.26 -0.11 0.00 -0.61 0.00 0.00 59.70 59.35 1cff h MET 71 Cb 1.38 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.45 1cff h MET 71 CO -0.86 0.89 -0.52 0.52 -0.40 0.00 0.00 176.91 176.54 1cff h MET 72 N -0.15 0.00 0.00 0.39 2.07 -0.30 -3.37 114.93 113.58 1cff h MET 72 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1cff h MET 72 Cb 0.93 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.66 1cff h MET 72 CO 0.06 0.52 -0.28 0.00 1.07 0.00 0.00 176.91 178.28 1cff h ALA 73 N 1.48 0.00 -1.79 6.32 0.00 0.16 -3.45 119.26 121.98 1cff h ALA 73 Ca -0.01 -0.37 -0.53 0.00 0.00 0.00 0.00 54.91 54.00 1cff h ALA 73 Cb 1.02 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1cff h ALA 73 CO 0.07 0.28 1.56 -2.13 0.00 0.00 0.00 179.25 179.03 1cff n ARG 74 N -3.66 1.53 -2.69 0.00 0.63 0.61 -4.72 116.66 108.37 1cff n ARG 74 Ca -0.04 0.29 -0.06 0.00 -0.92 0.00 0.00 57.85 57.12 1cff n ARG 74 Cb 0.14 -3.31 0.10 0.00 0.45 0.00 0.00 32.46 29.84 1cff n ARG 74 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1cff n LYS 75 N 8.87 0.55 -3.73 -0.14 2.85 -1.26 -4.69 118.16 120.60 1cff n LYS 75 Ca 0.34 -1.25 -0.38 0.00 -1.05 0.00 0.00 58.31 55.96 1cff n LYS 75 Cb 0.49 -0.49 -0.12 0.00 -0.65 0.00 0.00 35.03 34.25 1cff n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1cff s MET 76 N 0.14 3.10 -0.27 -1.58 -1.94 -1.26 -4.95 119.30 112.54 1cff s MET 76 Ca 0.20 -0.86 0.09 0.00 -1.71 0.00 0.00 55.69 53.41 1cff s MET 76 Cb 0.29 -3.43 0.46 0.00 2.01 0.00 0.00 34.83 34.16 1cff s MET 76 CO -0.13 -0.46 1.35 1.63 -0.01 0.00 0.00 175.02 177.40 1cff n LYS 77 N 4.89 1.94 -0.00 2.03 4.76 -1.26 -5.10 118.16 125.43 1cff n LYS 77 Ca -0.14 -3.36 0.00 0.00 -2.87 0.00 0.00 58.31 51.94 1cff n LYS 77 Cb 0.48 -1.80 -0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1cff n LYS 77 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cff n ASP 78 N -1.08 -1.96 0.00 4.39 5.75 -1.26 -4.82 116.55 117.57 1cff n ASP 78 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1cff n ASP 78 Cb 0.87 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1cff n THR 79 N -0.66 0.00 -2.42 2.12 -2.24 -1.26 -4.95 114.28 104.88 1cff n THR 79 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1cff n THR 79 Cb 0.00 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1cff n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cff s ASP 80 N -3.93 6.06 -0.18 3.42 -1.08 -1.26 -4.87 116.67 114.83 1cff s ASP 80 Ca 0.00 -0.92 -0.35 0.00 -0.52 0.00 0.00 52.55 50.76 1cff s ASP 80 Cb 0.00 -2.56 0.15 0.00 -1.46 0.00 0.00 42.92 39.05 1cff s ASP 80 CO 0.00 -1.89 1.42 -0.94 0.52 0.00 0.00 175.17 174.28 1cff s SER 81 N 5.54 -0.00 0.75 -0.34 1.04 -1.26 -5.16 113.70 114.27 1cff s SER 81 Ca 0.50 -0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.77 1cff s SER 81 Cb -0.04 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1cff s SER 81 CO 0.00 -0.01 0.80 1.21 0.98 0.00 0.00 173.24 176.22 1cff n GLU 82 N -0.29 0.32 -0.00 4.02 4.07 -1.26 -4.96 120.64 122.54 1cff n GLU 82 Ca -0.03 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1cff n GLU 82 Cb 0.61 -2.09 -0.01 0.00 -0.06 0.00 0.00 31.44 29.89 1cff n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1cff n GLU 83 N -1.67 0.90 -0.01 5.31 2.13 -1.26 -4.64 120.64 121.39 1cff n GLU 83 Ca 0.11 -0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.91 1cff n GLU 83 Cb 0.50 -1.02 -0.01 0.00 0.27 0.00 0.00 31.44 31.18 1cff n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1cff n GLU 84 N -1.64 0.06 -0.12 5.31 2.13 -1.26 -4.61 120.64 120.51 1cff n GLU 84 Ca -0.00 0.02 0.02 0.00 0.66 0.00 0.00 57.16 57.86 1cff n GLU 84 Cb 0.13 -1.03 0.08 0.00 0.27 0.00 0.00 31.44 30.89 1cff n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1cff n ILE 85 N -2.60 0.35 -0.25 6.31 2.08 -1.26 -4.23 119.36 119.75 1cff n ILE 85 Ca -0.05 -0.25 0.32 0.00 0.56 0.00 0.00 62.75 63.33 1cff n ILE 85 Cb 0.55 -0.06 0.66 0.00 -0.75 0.00 0.00 39.64 40.03 1cff n ILE 85 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1cff h ARG 86 N 0.96 0.00 0.31 0.38 2.43 -1.82 1.06 114.38 117.71 1cff h ARG 86 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1cff h ARG 86 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1cff h ARG 86 CO 0.03 0.00 -0.15 1.49 -1.51 0.00 0.00 179.97 179.83 1cff h GLU 87 N 0.00 -0.41 0.00 0.20 4.22 -1.96 0.43 114.58 117.06 1cff h GLU 87 Ca 0.52 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.96 1cff h GLU 87 Cb 2.48 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.82 1cff h GLU 87 CO -0.01 -0.27 -0.11 0.00 -2.18 0.00 0.00 179.01 176.44 1cff h ALA 88 N -1.45 1.43 -0.13 2.92 0.00 -1.48 0.99 119.26 121.55 1cff h ALA 88 Ca -0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1cff h ALA 88 Cb 0.32 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1cff h ALA 88 CO 0.07 0.14 -0.57 0.35 0.00 0.00 0.00 179.25 179.24 1cff h PHE 89 N 0.00 0.82 0.00 0.00 3.04 0.11 -2.34 116.94 118.57 1cff h PHE 89 Ca -0.00 -0.35 -0.19 0.00 3.98 0.00 0.00 57.97 61.41 1cff h PHE 89 Cb 0.27 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1cff h PHE 89 CO 0.00 1.15 -0.94 -0.09 -2.02 0.00 0.00 178.31 176.41 1cff h ARG 90 N 0.26 0.00 -0.49 1.11 1.12 0.51 -1.84 114.38 115.05 1cff h ARG 90 Ca -0.03 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.80 1cff h ARG 90 Cb 1.20 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.14 1cff h ARG 90 CO 0.12 0.79 0.17 0.28 -3.11 0.00 0.00 179.97 178.22 1cff h VAL 91 N 0.00 1.19 -0.01 0.20 2.07 0.10 -2.84 116.25 116.97 1cff h VAL 91 Ca -0.04 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1cff h VAL 91 Cb 1.68 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1cff h VAL 91 CO 0.10 0.24 -0.72 0.49 0.02 0.00 0.00 177.57 177.71 1cff n PHE 92 N -4.33 0.00 0.80 1.57 3.72 -0.88 -4.26 117.46 114.07 1cff n PHE 92 Ca 0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1cff n PHE 92 Cb 0.17 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.23 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 -0.85 0.25 0.00 4.37 -0.08 -0.70 -4.62 116.55 114.92 1cff n ASP 93 Ca 0.06 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1cff n ASP 93 Cb 0.36 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cff n LYS 94 N -1.74 0.00 -0.06 -0.67 4.81 -1.23 0.11 118.16 119.38 1cff n LYS 94 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.42 1cff n LYS 94 Cb 0.33 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.37 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 -0.11 0.00 3.14 3.04 -1.93 -3.47 116.42 117.09 1cff h ASP 95 Ca 0.00 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 1cff h ASP 95 Cb 0.00 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 1cff h ASP 95 CO 0.00 -0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.79 1cff n GLY 96 N -1.21 0.54 0.84 7.15 0.00 0.30 -5.09 105.19 107.72 1cff n GLY 96 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 0.92 0.00 1.61 4.13 -1.26 -5.06 115.26 115.61 1cff n ASN 97 Ca 0.00 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1cff n ASN 97 Cb 0.00 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cff n GLY 98 N 2.88 1.16 3.67 7.41 0.00 -1.26 -5.13 105.19 113.92 1cff n GLY 98 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.14 2.91 -0.74 1.61 2.02 -1.26 -4.22 117.35 117.53 1cff s TYR 99 Ca 0.00 -0.08 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 1cff s TYR 99 Cb 0.00 -1.47 0.19 0.00 -0.40 0.00 0.00 41.96 40.28 1cff s TYR 99 CO 0.00 0.48 0.60 0.42 -1.57 0.00 0.00 175.55 175.48 1cff s ILE 100 N -1.43 4.39 -0.00 2.71 1.01 -1.08 -4.90 121.20 121.90 1cff s ILE 100 Ca 0.26 -3.00 -0.24 0.00 0.00 0.00 0.00 60.65 57.66 1cff s ILE 100 Cb -0.11 -3.78 -0.19 0.00 0.01 0.00 0.00 42.46 38.40 1cff s ILE 100 CO 0.18 -0.96 1.32 -1.28 0.00 0.00 0.00 174.94 174.19 1cff h SER 101 N 7.04 0.09 0.00 3.58 0.87 -1.94 -3.36 113.55 119.83 1cff h SER 101 Ca 0.05 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1cff h SER 101 Cb 0.95 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1cff h SER 101 CO 0.75 0.52 0.00 0.00 -0.53 0.00 0.00 176.83 177.57 1cff n ALA 102 N -2.34 0.00 -0.10 6.23 0.00 -1.26 -4.76 120.51 118.28 1cff n ALA 102 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1cff n ALA 102 Cb 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.78 -0.09 0.00 0.00 -1.97 0.74 119.26 117.16 1cff h ALA 103 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1cff h ALA 103 Cb 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1cff h ALA 103 CO 0.00 -1.01 -0.12 1.05 0.00 0.00 0.00 179.25 179.17 1cff h GLU 104 N -0.41 -0.16 -0.83 0.00 4.11 -1.91 -0.95 114.58 114.43 1cff h GLU 104 Ca 0.06 0.01 0.19 0.00 0.07 0.00 0.00 59.36 59.68 1cff h GLU 104 Cb 0.57 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1cff h GLU 104 CO -0.51 -0.10 0.56 -0.07 0.07 0.00 0.00 179.01 178.95 1cff h LEU 105 N -0.16 0.35 0.41 3.06 3.38 -1.56 1.28 115.31 122.07 1cff h LEU 105 Ca 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1cff h LEU 105 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1cff h LEU 105 CO -0.19 0.16 -0.20 0.03 0.09 0.00 0.00 178.44 178.33 1cff h ARG 106 N 0.36 -0.53 0.01 1.13 3.08 0.19 -1.63 114.38 116.99 1cff h ARG 106 Ca 0.42 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 1cff h ARG 106 Cb 1.09 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1cff h ARG 106 CO -0.13 -0.35 -0.09 1.25 -1.07 0.00 0.00 179.97 179.57 1cff h HIS 107 N -0.57 0.06 -0.45 3.04 2.76 -1.24 -2.46 115.15 116.31 1cff h HIS 107 Ca -0.06 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1cff h HIS 107 Cb 0.42 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.34 1cff h HIS 107 CO 0.13 0.99 0.20 0.28 -1.30 0.00 0.00 177.93 178.23 1cff h VAL 108 N -0.88 0.93 0.00 5.26 2.07 0.15 0.37 116.25 124.15 1cff h VAL 108 Ca -0.01 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1cff h VAL 108 Cb 1.02 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1cff h VAL 108 CO 0.02 0.07 -0.33 -0.03 0.02 0.00 0.00 177.57 177.32 1cff h MET 109 N 0.40 0.00 0.04 1.57 -1.53 -1.24 -2.48 114.93 111.70 1cff h MET 109 Ca 0.20 0.00 -0.28 0.00 -3.44 0.00 0.00 59.70 56.18 1cff h MET 109 Cb 0.14 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.16 1cff h MET 109 CO -0.16 0.19 -1.51 0.00 0.14 0.00 0.00 176.91 175.57 1cff h THR 110 N 0.00 1.12 -0.05 -0.77 1.03 -1.11 -2.95 112.91 110.18 1cff h THR 110 Ca -0.01 -2.87 -0.16 0.00 -0.01 0.00 0.00 66.41 63.35 1cff h THR 110 Cb 1.17 2.62 -0.01 0.00 -1.07 0.00 0.00 68.15 70.86 1cff h THR 110 CO 0.03 0.72 -0.68 -1.13 -0.01 0.00 0.00 175.52 174.44 1cff h ASN 111 N 0.02 0.28 -0.24 0.00 -0.73 -0.33 -3.04 115.58 111.55 1cff h ASN 111 Ca -0.22 -0.18 0.01 0.00 1.87 0.00 0.00 56.30 57.79 1cff h ASN 111 Cb 1.96 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 40.45 1cff h ASN 111 CO 0.11 0.88 0.16 0.25 -0.37 0.00 0.00 177.43 178.46 1cff h LEU 112 N 0.16 0.23 0.00 0.34 5.85 -1.53 -3.45 115.31 116.91 1cff h LEU 112 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1cff h LEU 112 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1cff h LEU 112 CO 0.11 0.16 0.00 0.61 -0.34 0.00 0.00 178.44 178.98 1cff n GLY 113 N -1.51 1.08 0.00 3.75 0.00 -1.15 -5.11 105.19 102.24 1cff n GLY 113 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cff n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cff n GLU 114 N 0.00 0.17 -2.82 1.61 -0.58 -1.11 -5.00 120.64 112.90 1cff n GLU 114 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1cff n GLU 114 Cb 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 30.94 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cff n LYS 115 N -0.68 1.02 -2.67 3.49 4.81 -1.26 -4.40 118.16 118.47 1cff n LYS 115 Ca 0.00 -2.25 -0.42 0.00 -0.87 0.00 0.00 58.31 54.77 1cff n LYS 115 Cb 0.00 -1.13 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1cff s LEU 116 N -2.36 3.95 0.00 3.14 1.43 -1.26 -4.97 118.68 118.61 1cff s LEU 116 Ca 0.26 -1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 51.60 1cff s LEU 116 Cb 0.31 -2.52 0.23 0.00 0.03 0.00 0.00 46.19 44.24 1cff s LEU 116 CO -0.06 -1.38 0.52 0.35 0.23 0.00 0.00 176.35 176.01 1cff n THR 117 N 6.48 0.00 0.31 5.49 -2.24 -1.26 -4.00 114.28 119.06 1cff n THR 117 Ca 0.30 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.27 1cff n THR 117 Cb 0.50 -0.59 1.04 0.00 -2.10 0.00 0.00 70.33 69.19 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 -2.99 0.00 0.00 3.42 1.82 -1.97 -1.18 116.42 115.52 1cff h ASP 118 Ca -0.23 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.39 1cff h ASP 118 Cb 0.79 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.80 1cff h ASP 118 CO 0.14 0.00 -0.14 -0.33 -1.61 0.00 0.00 179.24 177.30 1cff h GLU 119 N 0.00 0.00 -0.27 0.28 5.08 -1.99 -2.77 114.58 114.91 1cff h GLU 119 Ca 0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1cff h GLU 119 Cb 0.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1cff h GLU 119 CO -0.00 0.46 -0.13 0.93 -1.00 0.00 0.00 179.01 179.27 1cff h GLU 120 N -1.00 -0.09 -0.61 2.33 4.39 -1.72 -2.16 114.58 115.73 1cff h GLU 120 Ca -0.03 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1cff h GLU 120 Cb 0.53 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1cff h GLU 120 CO -0.02 -0.06 0.32 -0.24 -1.16 0.00 0.00 179.01 177.86 1cff h VAL 121 N -0.09 1.20 -0.14 3.13 3.04 -1.36 0.72 116.25 122.75 1cff h VAL 121 Ca 0.14 -0.53 0.02 0.00 -1.01 0.00 0.00 66.70 65.32 1cff h VAL 121 Cb 0.30 0.43 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 1cff h VAL 121 CO -0.33 0.22 -0.23 -0.78 -1.01 0.00 0.00 177.57 175.45 1cff h ASP 122 N 0.83 -0.76 1.23 3.17 3.58 -1.09 -0.87 116.42 122.50 1cff h ASP 122 Ca 0.21 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 1cff h ASP 122 Cb 0.06 0.31 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1cff h ASP 122 CO -0.03 -0.18 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.04 1cff h GLU 123 N -0.19 0.00 0.59 0.28 4.81 -1.53 -1.96 114.58 116.58 1cff h GLU 123 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1cff h GLU 123 Cb 0.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1cff h GLU 123 CO -0.23 0.03 -0.34 1.98 -0.73 0.00 0.00 179.01 179.72 1cff h MET 124 N 0.00 -0.84 0.00 1.92 4.05 0.40 0.69 114.93 121.14 1cff h MET 124 Ca -0.00 0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1cff h MET 124 Cb 0.65 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 1cff h MET 124 CO 0.00 -0.56 -0.39 0.82 0.23 0.00 0.00 176.91 177.02 1cff h ILE 125 N -0.87 0.73 -0.40 1.77 1.08 -1.23 0.15 117.51 118.74 1cff h ILE 125 Ca -0.07 -1.80 -0.15 0.00 -0.39 0.00 0.00 64.86 62.44 1cff h ILE 125 Cb 0.70 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.63 1cff h ILE 125 CO 0.09 0.38 -0.35 0.03 -0.69 0.00 0.00 178.15 177.61 1cff h ARG 126 N 0.00 0.92 0.06 2.37 -0.00 -1.10 0.56 114.38 117.20 1cff h ARG 126 Ca -0.00 -0.46 -0.26 0.00 -0.50 0.00 0.00 59.98 58.76 1cff h ARG 126 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.12 1cff h ARG 126 CO 0.05 1.12 -1.23 1.49 0.00 0.00 0.00 179.97 181.39 1cff h GLU 127 N 0.76 0.14 -0.31 0.04 4.81 0.44 -3.24 114.58 117.22 1cff h GLU 127 Ca 0.07 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1cff h GLU 127 Cb 0.93 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1cff h GLU 127 CO 0.09 1.05 -0.23 0.00 -0.73 0.00 0.00 179.01 179.19 1cff h ALA 128 N 0.77 1.02 -1.29 2.92 0.00 -0.52 -3.41 119.26 118.74 1cff h ALA 128 Ca -0.12 -0.35 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 1cff h ALA 128 Cb 1.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1cff h ALA 128 CO 0.16 0.59 1.58 -3.47 0.00 0.00 0.00 179.25 178.10 1cff n ASP 129 N -4.12 2.12 0.00 0.00 -0.08 0.19 -4.88 116.55 109.78 1cff n ASP 129 Ca -0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1cff n ASP 129 Cb 0.41 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.47 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1cff n ILE 130 N 7.68 0.00 -0.30 5.18 -0.00 -1.26 -4.09 119.36 126.57 1cff n ILE 130 Ca 0.41 0.37 0.12 0.00 -0.00 0.00 0.00 62.75 63.66 1cff n ILE 130 Cb 0.37 -1.11 0.29 0.00 -0.00 0.00 0.00 39.64 39.19 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 0.00 0.14 -2.46 4.38 2.03 -1.96 -3.47 116.42 115.09 1cff h ASP 131 Ca 0.00 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 1cff h ASP 131 Cb 0.00 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1cff h ASP 131 CO 0.00 -0.08 0.00 0.61 -1.03 0.00 0.00 179.24 178.74 1cff n GLY 132 N -1.36 -0.27 0.01 7.15 0.00 -1.26 -5.02 105.19 104.44 1cff n GLY 132 Ca 0.21 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.61 0.77 0.00 1.61 9.92 -1.26 -4.95 116.55 122.03 1cff n ASP 133 Ca 0.00 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1cff n ASP 133 Cb 0.20 1.69 0.00 0.00 -0.64 0.00 0.00 41.12 42.37 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 1.44 0.64 3.82 0.44 0.00 -1.26 -5.11 105.19 105.16 1cff n GLY 134 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1cff n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cff s GLN 135 N 0.00 1.58 -0.36 1.61 0.74 -1.26 -5.04 119.66 116.93 1cff s GLN 135 Ca 0.00 -0.89 -0.22 0.00 0.05 0.00 0.00 55.36 54.30 1cff s GLN 135 Cb 0.00 0.53 0.01 0.00 1.10 0.00 0.00 33.01 34.64 1cff s GLN 135 CO 0.00 -0.73 0.72 0.54 -0.55 0.00 0.00 175.29 175.27 1cff s VAL 136 N -3.49 4.80 -0.08 1.34 0.11 -1.26 -4.80 120.40 117.02 1cff s VAL 136 Ca 0.12 0.73 -0.14 0.00 -2.93 0.00 0.00 61.98 59.77 1cff s VAL 136 Cb -0.04 -4.16 -0.05 0.00 -1.53 0.00 0.00 36.38 30.60 1cff s VAL 136 CO 0.06 -0.39 0.33 0.21 -3.33 0.00 0.00 175.10 171.98 1cff s ASN 137 N 1.83 6.61 0.36 3.54 2.47 -1.26 -2.63 114.94 125.86 1cff s ASN 137 Ca 0.28 0.72 0.19 0.00 0.42 0.00 0.00 52.86 54.47 1cff s ASN 137 Cb -0.14 -2.20 1.25 0.00 -1.45 0.00 0.00 41.25 38.71 1cff s ASN 137 CO 0.16 0.23 1.62 0.22 -3.72 0.00 0.00 177.10 175.61 1cff h TYR 138 N 5.59 0.86 -1.36 0.43 3.20 -1.97 0.67 116.97 124.39 1cff h TYR 138 Ca -0.48 0.04 0.40 0.00 3.14 0.00 0.00 58.73 61.83 1cff h TYR 138 Cb 1.20 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 1cff h TYR 138 CO 0.67 -0.34 0.96 1.05 -1.64 0.00 0.00 178.16 178.86 1cff h GLU 139 N 0.14 0.06 0.08 1.82 4.11 -1.95 1.19 114.58 120.03 1cff h GLU 139 Ca 0.80 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.89 1cff h GLU 139 Cb 2.03 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 1cff h GLU 139 CO -0.69 0.04 -1.88 0.39 0.07 0.00 0.00 179.01 176.94 1cff n GLU 140 N -4.24 0.72 -0.23 1.06 1.02 0.23 -2.67 120.64 116.53 1cff n GLU 140 Ca 0.31 0.28 0.02 0.00 -0.02 0.00 0.00 57.16 57.74 1cff n GLU 140 Cb 1.39 -1.75 0.14 0.00 -0.02 0.00 0.00 31.44 31.20 1cff n GLU 140 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1cff h PHE 141 N 0.05 0.54 0.04 -0.32 3.04 0.16 -0.00 116.94 120.45 1cff h PHE 141 Ca -0.37 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.56 1cff h PHE 141 Cb 2.03 -0.14 0.01 0.00 2.56 0.00 0.00 35.95 40.40 1cff h PHE 141 CO 0.05 0.16 -0.21 -0.39 -2.02 0.00 0.00 178.31 175.90 1cff h VAL 142 N 0.52 1.72 -1.04 1.41 -1.51 -0.61 -1.81 116.25 114.93 1cff h VAL 142 Ca 0.35 -2.37 0.27 0.00 -1.23 0.00 0.00 66.70 63.72 1cff h VAL 142 Cb 0.42 3.32 -0.08 0.00 -2.13 0.00 0.00 31.29 32.81 1cff h VAL 142 CO -0.30 0.63 0.68 1.56 -1.23 0.00 0.00 177.57 178.91 1cff h GLN 143 N -0.82 0.32 0.13 5.19 4.20 -1.29 1.07 115.11 123.91 1cff h GLN 143 Ca -0.04 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.32 1cff h GLN 143 Cb 1.16 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1cff h GLN 143 CO 0.04 0.21 -1.75 0.00 -0.67 0.00 0.00 178.83 176.66 1cff h MET 144 N 0.33 0.26 0.00 1.46 -0.00 -1.08 -3.32 114.93 112.59 1cff h MET 144 Ca 0.57 -0.45 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 1cff h MET 144 Cb 1.57 0.17 0.00 0.00 -0.00 0.00 0.00 31.60 33.34 1cff h MET 144 CO -0.24 1.13 -0.25 -1.33 -0.00 0.00 0.00 176.91 176.22 1cff n MET 145 N -3.45 0.21 0.07 -0.10 2.81 -0.32 -4.64 117.12 111.71 1cff n MET 145 Ca -0.23 0.37 -0.09 0.00 -1.81 0.00 0.00 57.70 55.94 1cff n MET 145 Cb 1.05 -1.18 -0.05 0.00 -0.71 0.00 0.00 33.22 32.33 1cff n MET 145 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1cff h THR 146 N -0.47 0.00 -0.66 2.03 1.35 0.94 -3.35 112.91 112.75 1cff h THR 146 Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.62 1cff h THR 146 Cb 0.25 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.65 1cff h THR 146 CO 0.00 0.00 0.94 0.00 -0.25 0.00 0.00 175.52 176.21 1cff n ALA 147 N -2.68 0.57 -0.78 6.62 0.00 -0.72 -5.02 120.51 118.50 1cff n ALA 147 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1cff n ALA 147 Cb 0.22 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 16.61 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13