#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 3.63 -4.73 0.00 8.00 -1.26 -4.94 116.55 117.25 1cff n ASP 2 Ca 0.00 -2.78 -0.41 0.00 0.71 0.00 0.00 54.79 52.31 1cff n ASP 2 Cb 0.00 -1.63 -0.04 0.00 -0.02 0.00 0.00 41.12 39.43 1cff n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1cff s GLN 3 N 5.20 4.57 0.43 -1.24 0.74 -1.26 -4.98 119.66 123.12 1cff s GLN 3 Ca 0.60 1.68 -0.23 0.00 0.05 0.00 0.00 55.36 57.45 1cff s GLN 3 Cb 0.05 -3.32 -0.11 0.00 1.10 0.00 0.00 33.01 30.74 1cff s GLN 3 CO 0.09 0.01 0.90 -0.11 -0.55 0.00 0.00 175.29 175.63 1cff n LEU 4 N 2.87 2.04 -4.76 3.68 0.00 -1.26 -4.90 117.00 114.67 1cff n LEU 4 Ca 0.04 0.99 -0.41 0.00 0.00 0.00 0.00 56.01 56.64 1cff n LEU 4 Cb 0.47 -1.30 -0.03 0.00 0.00 0.00 0.00 43.42 42.56 1cff n LEU 4 CO 0.54 -1.84 0.89 0.42 0.00 0.00 0.00 177.39 177.39 1cff s THR 5 N -1.33 3.18 -0.61 1.96 -4.23 -1.26 -4.93 115.64 108.42 1cff s THR 5 Ca 0.64 1.14 0.23 0.00 -1.18 0.00 0.00 61.69 62.52 1cff s THR 5 Cb -0.56 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.48 1cff s THR 5 CO 0.56 0.25 1.10 -0.62 -0.54 0.00 0.00 174.62 175.37 1cff n GLU 6 N 1.34 0.29 0.11 3.99 1.02 -1.26 -3.80 120.64 122.34 1cff n GLU 6 Ca 0.01 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.12 1cff n GLU 6 Cb 0.43 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.30 0.28 3.49 4.22 -1.98 -2.15 114.58 118.13 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1cff h GLU 7 Cb 0.74 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1cff h GLU 7 CO 0.00 -0.20 -0.13 1.96 -2.18 0.00 0.00 179.01 178.46 1cff h GLN 8 N -0.52 -0.36 -0.64 1.92 1.08 -2.01 -3.12 115.11 111.46 1cff h GLN 8 Ca -0.03 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.33 1cff h GLN 8 Cb 0.24 0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 27.64 1cff h GLN 8 CO 0.05 -0.05 0.02 0.97 -0.95 0.00 0.00 178.83 178.87 1cff h ILE 9 N -0.67 0.48 -1.10 2.54 2.10 -1.74 0.49 117.51 119.61 1cff h ILE 9 Ca -0.04 -0.05 0.32 0.00 1.08 0.00 0.00 64.86 66.17 1cff h ILE 9 Cb 0.47 0.34 -0.12 0.00 -1.09 0.00 0.00 36.82 36.42 1cff h ILE 9 CO 0.06 0.03 0.68 0.00 -1.08 0.00 0.00 178.15 177.84 1cff h ALA 10 N 1.58 2.25 -0.56 0.18 0.00 -1.33 1.54 119.26 122.92 1cff h ALA 10 Ca 0.34 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.40 1cff h ALA 10 Cb 0.56 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1cff h ALA 10 CO -0.53 -0.76 0.31 0.93 0.00 0.00 0.00 179.25 179.19 1cff h GLU 11 N 0.32 0.58 -0.16 0.00 4.39 0.02 0.87 114.58 120.61 1cff h GLU 11 Ca 0.69 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.37 1cff h GLU 11 Cb 1.77 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 1cff h GLU 11 CO -0.41 0.38 0.11 0.35 -1.16 0.00 0.00 179.01 178.28 1cff h PHE 12 N 0.60 0.13 -0.50 4.33 3.57 0.23 0.01 116.94 125.29 1cff h PHE 12 Ca 0.24 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.62 1cff h PHE 12 Cb 0.11 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1cff h PHE 12 CO -0.08 0.08 -0.19 -0.22 -2.23 0.00 0.00 178.31 175.67 1cff h LYS 13 N 0.13 1.02 0.00 1.11 3.64 0.22 0.21 116.57 122.90 1cff h LYS 13 Ca 0.07 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1cff h LYS 13 Cb 0.11 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1cff h LYS 13 CO -0.01 1.10 -0.05 1.05 -2.27 0.00 0.00 179.45 179.27 1cff h GLU 14 N 0.88 0.00 0.04 1.90 4.11 0.18 1.33 114.58 123.01 1cff h GLU 14 Ca 0.12 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.24 1cff h GLU 14 Cb 0.77 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1cff h GLU 14 CO 0.06 0.05 -1.74 0.00 0.07 0.00 0.00 179.01 177.45 1cff h ALA 15 N 1.95 0.65 0.00 1.06 0.00 -1.07 -2.83 119.26 119.02 1cff h ALA 15 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.50 1cff h ALA 15 Cb 0.17 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1cff h ALA 15 CO 0.01 1.49 0.00 0.34 0.00 0.00 0.00 179.25 181.08 1cff n PHE 16 N -3.18 0.82 -0.02 0.00 7.35 0.72 0.21 117.46 123.35 1cff n PHE 16 Ca -0.20 0.27 -0.15 0.00 -0.76 0.00 0.00 57.45 56.61 1cff n PHE 16 Cb 1.05 -0.94 -0.14 0.00 0.35 0.00 0.00 39.48 39.80 1cff n PHE 16 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1cff n SER 17 N -2.20 1.48 0.10 -2.13 7.64 0.44 -3.89 113.62 115.05 1cff n SER 17 Ca 0.04 0.26 0.02 0.00 1.01 0.00 0.00 58.87 60.21 1cff n SER 17 Cb 0.35 -0.40 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 1cff n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1cff h LEU 18 N 0.03 0.00 -2.00 -3.43 7.12 -1.32 -3.21 115.31 112.51 1cff h LEU 18 Ca -0.38 0.00 0.40 0.00 0.13 0.00 0.00 57.88 58.03 1cff h LEU 18 Cb 2.03 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 42.11 1cff h LEU 18 CO 0.07 0.49 1.00 0.15 -0.13 0.00 0.00 178.44 180.03 1cff h PHE 19 N 0.00 0.00 -3.62 1.25 3.04 0.23 -3.23 116.94 114.62 1cff h PHE 19 Ca -0.06 0.00 -0.69 0.00 3.98 0.00 0.00 57.97 61.20 1cff h PHE 19 Cb 1.43 -0.00 -0.25 0.00 2.56 0.00 0.00 35.95 39.69 1cff h PHE 19 CO 0.00 -0.00 -0.57 0.34 -2.02 0.00 0.00 178.31 176.06 1cff s ASP 20 N -4.84 5.44 -0.28 0.41 2.15 -1.21 -4.97 116.67 113.36 1cff s ASP 20 Ca -0.05 -0.82 -0.00 0.00 0.43 0.00 0.00 52.55 52.11 1cff s ASP 20 Cb 0.24 -1.95 0.24 0.00 -0.30 0.00 0.00 42.92 41.15 1cff s ASP 20 CO 0.83 -0.27 1.86 0.29 -0.17 0.00 0.00 175.17 177.71 1cff n LYS 21 N 4.92 1.73 0.00 4.34 5.02 -1.22 -3.71 118.16 129.24 1cff n LYS 21 Ca -0.13 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 1cff n LYS 21 Cb 0.47 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1cff n ASP 22 N 0.20 1.92 -2.04 4.39 5.75 -1.26 -5.04 116.55 120.48 1cff n ASP 22 Ca 0.29 -0.28 -0.09 0.00 -0.01 0.00 0.00 54.79 54.70 1cff n ASP 22 Cb 0.70 0.95 0.04 0.00 -1.03 0.00 0.00 41.12 41.78 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 1.52 0.15 0.05 6.12 0.00 -1.24 -4.96 105.19 106.83 1cff n GLY 23 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.45 3.01 0.00 1.61 2.03 -1.26 -5.02 116.55 115.46 1cff n ASP 24 Ca -0.08 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1cff n ASP 24 Cb 0.56 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 2.78 2.49 3.39 0.27 0.00 -1.26 -5.04 105.19 107.82 1cff n GLY 25 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.59 2.34 -0.63 2.61 -4.23 -1.26 -4.80 115.64 107.08 1cff s THR 26 Ca 0.00 -1.56 -0.15 0.00 -1.18 0.00 0.00 61.69 58.80 1cff s THR 26 Cb 0.00 -2.00 0.16 0.00 1.34 0.00 0.00 72.50 72.00 1cff s THR 26 CO 0.00 0.20 0.58 -0.63 -0.54 0.00 0.00 174.62 174.23 1cff s ILE 27 N -0.98 5.27 0.38 2.99 -1.09 -0.96 -4.92 121.20 121.90 1cff s ILE 27 Ca 0.14 -1.86 0.08 0.00 -2.23 0.00 0.00 60.65 56.77 1cff s ILE 27 Cb -0.10 -4.34 -0.02 0.00 -1.58 0.00 0.00 42.46 36.42 1cff s ILE 27 CO 0.05 -0.92 0.38 -0.89 -1.23 0.00 0.00 174.94 172.34 1cff s THR 28 N 1.08 3.12 0.58 2.92 2.01 -1.26 -2.33 115.64 121.76 1cff s THR 28 Ca 0.08 -1.28 0.32 0.00 0.31 0.00 0.00 61.69 61.12 1cff s THR 28 Cb -0.23 -3.10 0.45 0.00 0.01 0.00 0.00 72.50 69.64 1cff s THR 28 CO -0.01 -0.07 1.75 0.71 -0.69 0.00 0.00 174.62 176.31 1cff h THR 29 N 1.04 0.31 0.29 -0.82 1.35 -1.94 0.54 112.91 113.67 1cff h THR 29 Ca -0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1cff h THR 29 Cb 1.26 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1cff h THR 29 CO 0.56 0.00 -0.25 0.50 -0.25 0.00 0.00 175.52 176.07 1cff h LYS 30 N 0.00 -0.51 -0.03 4.72 3.64 -1.97 1.24 116.57 123.66 1cff h LYS 30 Ca 0.41 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.70 1cff h LYS 30 Cb 1.94 0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.88 1cff h LYS 30 CO -0.00 -0.34 -0.46 0.93 -2.27 0.00 0.00 179.45 177.31 1cff h GLU 31 N -0.53 0.36 -0.96 1.90 3.07 -1.62 -2.76 114.58 114.03 1cff h GLU 31 Ca -0.04 -0.35 0.14 0.00 -0.50 0.00 0.00 59.36 58.62 1cff h GLU 31 Cb 0.45 0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.37 1cff h GLU 31 CO -0.01 1.02 0.61 1.25 -1.40 0.00 0.00 179.01 180.47 1cff h LEU 32 N -0.17 0.78 -0.71 1.33 7.12 -0.01 0.13 115.31 123.78 1cff h LEU 32 Ca -0.05 0.05 -0.08 0.00 0.13 0.00 0.00 57.88 57.93 1cff h LEU 32 Cb 1.16 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 1cff h LEU 32 CO 0.09 0.39 0.06 1.23 -0.13 0.00 0.00 178.44 180.08 1cff h GLY 33 N 0.82 1.14 0.10 3.75 0.00 0.16 -2.50 103.07 106.54 1cff h GLY 33 Ca 0.49 -0.78 0.20 0.00 0.00 0.00 0.00 47.33 47.24 1cff h GLY 33 CO -0.26 0.72 0.61 -0.84 0.00 0.00 0.00 176.54 176.77 1cff h THR 34 N 0.98 0.68 -0.01 4.70 2.02 -0.45 0.74 112.91 121.56 1cff h THR 34 Ca 0.19 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.99 1cff h THR 34 Cb 0.48 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1cff h THR 34 CO 0.02 0.13 -0.60 0.58 0.37 0.00 0.00 175.52 176.02 1cff h VAL 35 N 0.71 1.42 0.00 3.16 2.07 -1.18 0.40 116.25 122.82 1cff h VAL 35 Ca 0.58 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1cff h VAL 35 Cb 0.98 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1cff h VAL 35 CO -0.37 0.59 0.00 0.23 0.02 0.00 0.00 177.57 178.04 1cff n MET 36 N -3.84 0.14 -0.05 1.57 2.81 0.25 -1.76 117.12 116.24 1cff n MET 36 Ca -0.01 0.36 -0.08 0.00 -1.81 0.00 0.00 57.70 56.16 1cff n MET 36 Cb 0.60 -1.76 -0.05 0.00 -0.71 0.00 0.00 33.22 31.31 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1cff n ARG 37 N -2.01 0.27 0.12 0.03 0.00 -0.58 -0.14 116.66 114.35 1cff n ARG 37 Ca 0.03 0.07 0.11 0.00 -0.00 0.00 0.00 57.85 58.05 1cff n ARG 37 Cb 0.22 -1.18 0.48 0.00 0.00 0.00 0.00 32.46 31.98 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1cff n SER 38 N -2.91 0.56 0.00 6.15 7.64 0.14 -2.08 113.62 123.12 1cff n SER 38 Ca -0.20 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1cff n SER 38 Cb 0.70 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.16 0.36 -3.23 -3.43 7.99 -0.72 -5.01 117.00 110.80 1cff n LEU 39 Ca 0.01 -0.56 -0.21 0.00 -0.01 0.00 0.00 56.01 55.24 1cff n LEU 39 Cb 0.16 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.54 1cff n LEU 39 CO 0.16 0.09 0.22 0.61 -1.51 0.00 0.00 177.39 176.96 1cff n GLY 40 N 0.41 -0.37 2.54 -0.72 0.00 -0.88 -4.89 105.19 101.28 1cff n GLY 40 Ca 0.00 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.48 4.48 -3.40 1.61 1.13 0.80 -4.68 117.38 112.85 1cff n GLN 41 Ca 0.01 -3.50 -0.18 0.00 -1.94 0.00 0.00 57.00 51.39 1cff n GLN 41 Cb 0.55 -2.67 0.07 0.00 0.11 0.00 0.00 30.24 28.31 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 1.98 -4.36 -4.57 1.08 5.03 -1.25 -4.75 115.26 108.43 1cff n ASN 42 Ca 0.59 -0.72 -0.21 0.00 0.87 0.00 0.00 54.58 55.11 1cff n ASN 42 Cb 0.26 -4.91 -0.07 0.00 -1.02 0.00 0.00 39.78 34.05 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 -5.03 2.07 0.45 3.52 0.04 -1.13 -4.66 135.00 130.25 1cff s PRO 43 Ca 0.25 -0.19 0.03 0.00 0.04 0.00 0.00 61.00 61.13 1cff s PRO 43 Cb -0.04 -4.99 -0.03 0.00 0.04 0.00 0.00 34.50 29.47 1cff s PRO 43 CO 0.75 -4.08 0.04 0.95 0.04 0.00 0.00 177.00 174.70 1cff s THR 44 N 12.61 1.16 0.09 1.26 -4.23 -1.26 -5.02 115.64 120.26 1cff s THR 44 Ca 0.78 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1cff s THR 44 Cb -0.08 -2.42 -0.24 0.00 1.34 0.00 0.00 72.50 71.10 1cff s THR 44 CO 0.06 0.00 1.19 -0.33 -0.54 0.00 0.00 174.62 175.01 1cff h GLU 45 N 1.62 0.11 0.10 3.99 5.08 -2.02 -3.34 114.58 120.11 1cff h GLU 45 Ca -0.41 -0.19 -0.36 0.00 -1.00 0.00 0.00 59.36 57.39 1cff h GLU 45 Cb 1.28 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 1cff h GLU 45 CO 0.70 1.07 -2.06 0.00 -1.00 0.00 0.00 179.01 177.72 1cff n ALA 46 N -2.44 1.02 0.11 3.43 0.00 -1.26 -4.14 120.51 117.24 1cff n ALA 46 Ca -0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 1cff n ALA 46 Cb 0.98 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 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 0.06 -0.53 -0.96 0.00 4.81 -1.85 0.59 114.58 116.70 1cff h GLU 47 Ca -0.44 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1cff h GLU 47 Cb 2.02 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 31.43 1cff h GLU 47 CO 0.06 -0.35 0.61 1.37 -0.73 0.00 0.00 179.01 179.97 1cff h LEU 48 N -0.55 0.57 -0.83 1.64 8.10 -1.79 1.72 115.31 124.17 1cff h LEU 48 Ca 0.03 0.07 -0.12 0.00 0.11 0.00 0.00 57.88 57.97 1cff h LEU 48 Cb 0.58 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 1cff h LEU 48 CO -0.19 0.21 -0.42 -0.61 -4.11 0.00 0.00 178.44 173.31 1cff h GLN 49 N 0.55 0.35 0.00 0.17 4.15 -1.27 0.15 115.11 119.22 1cff h GLN 49 Ca 0.53 -0.18 -0.16 0.00 0.77 0.00 0.00 58.65 59.61 1cff h GLN 49 Cb 1.10 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 1cff h GLN 49 CO -0.27 0.72 -0.75 0.22 -1.93 0.00 0.00 178.83 176.82 1cff h ASP 50 N 0.29 0.00 1.43 -0.69 3.58 0.70 0.21 116.42 121.95 1cff h ASP 50 Ca 0.02 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 1cff h ASP 50 Cb 0.87 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1cff h ASP 50 CO 0.07 0.75 -0.47 -0.03 -2.88 0.00 0.00 179.24 176.68 1cff h MET 51 N 0.00 0.00 0.15 0.28 4.05 0.24 -1.56 114.93 118.08 1cff h MET 51 Ca -0.01 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.06 1cff h MET 51 Cb 1.35 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1cff h MET 51 CO 0.10 0.47 -1.87 0.82 0.23 0.00 0.00 176.91 176.66 1cff h ILE 52 N 0.00 0.76 0.00 1.77 1.08 -0.56 -3.36 117.51 117.20 1cff h ILE 52 Ca -0.00 -2.40 -0.01 0.00 -0.39 0.00 0.00 64.86 62.05 1cff h ILE 52 Cb 1.32 2.60 -0.00 0.00 -3.07 0.00 0.00 36.82 37.67 1cff h ILE 52 CO 0.06 0.87 -0.05 0.78 -0.69 0.00 0.00 178.15 179.12 1cff h ASN 53 N 0.05 0.00 -0.28 1.72 2.35 -0.66 -3.08 115.58 115.69 1cff h ASN 53 Ca -0.39 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.23 1cff h ASN 53 Cb 2.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.39 1cff h ASN 53 CO 0.12 0.05 -0.28 -0.33 -1.65 0.00 0.00 177.43 175.33 1cff h GLU 54 N 0.00 0.78 -0.32 0.81 5.08 -1.42 -2.94 114.58 116.57 1cff h GLU 54 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1cff h GLU 54 Cb 0.87 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1cff h GLU 54 CO 0.01 0.97 0.00 1.33 -1.00 0.00 0.00 179.01 180.31 1cff n VAL 55 N -4.09 0.41 -0.57 3.13 0.24 -1.22 -4.71 118.33 111.52 1cff n VAL 55 Ca -0.01 -0.61 -0.18 0.00 -2.04 0.00 0.00 64.34 61.50 1cff n VAL 55 Cb 0.47 0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 33.57 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1cff n ASP 56 N 1.09 3.44 -0.02 -1.34 9.92 -1.11 -4.50 116.55 124.03 1cff n ASP 56 Ca 0.18 -2.27 0.09 0.00 -0.53 0.00 0.00 54.79 52.27 1cff n ASP 56 Cb 0.51 -0.93 0.50 0.00 -0.64 0.00 0.00 41.12 40.56 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cff h ALA 57 N 6.92 1.94 0.00 2.24 0.00 -1.87 -1.05 119.26 127.44 1cff h ALA 57 Ca 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1cff h ALA 57 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cff h ALA 57 CO 1.38 -0.03 -1.88 -0.40 0.00 0.00 0.00 179.25 178.32 1cff n ASP 58 N -4.47 0.61 -3.32 0.00 5.75 -1.26 -5.04 116.55 108.81 1cff n ASP 58 Ca 0.06 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.57 1cff n ASP 58 Cb 0.26 1.87 0.02 0.00 -1.03 0.00 0.00 41.12 42.24 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 1.42 -0.43 0.00 6.12 0.00 -0.40 -4.90 105.19 107.00 1cff n GLY 59 Ca -0.04 0.75 0.04 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.98 3.05 0.00 1.61 6.94 -1.26 -5.02 115.26 119.60 1cff n ASN 60 Ca -0.17 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 1cff n ASN 60 Cb 0.58 1.35 0.00 0.00 -2.36 0.00 0.00 39.78 39.34 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 2.01 1.32 0.00 4.83 0.00 -1.26 -5.14 105.19 106.95 1cff n GLY 61 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.19 2.61 -2.24 -1.26 -5.02 114.28 105.17 1cff n THR 62 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1cff n THR 62 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.41 5.11 0.11 2.28 -1.09 -0.98 -4.88 121.20 120.34 1cff s ILE 63 Ca 0.00 1.15 0.06 0.00 -2.23 0.00 0.00 60.65 59.63 1cff s ILE 63 Cb 0.00 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1cff s ILE 63 CO 0.00 0.26 -0.16 1.51 -1.23 0.00 0.00 174.94 175.32 1cff s ASP 64 N 0.80 2.08 0.19 3.58 1.47 -1.26 -2.27 116.67 121.27 1cff s ASP 64 Ca 0.30 -0.75 -0.16 0.00 1.18 0.00 0.00 52.55 53.12 1cff s ASP 64 Cb -0.16 -0.08 0.18 0.00 -0.34 0.00 0.00 42.92 42.52 1cff s ASP 64 CO 0.13 -0.08 1.34 0.33 0.68 0.00 0.00 175.17 177.56 1cff n PHE 65 N 0.77 -0.01 0.19 2.11 7.35 -1.26 -0.99 117.46 125.61 1cff n PHE 65 Ca -0.17 1.07 -0.15 0.00 -0.76 0.00 0.00 57.45 57.44 1cff n PHE 65 Cb 0.56 -0.80 -0.07 0.00 0.35 0.00 0.00 39.48 39.52 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 -0.59 0.00 -7.13 0.13 -1.97 0.65 132.00 123.08 1cff h PRO 66 Ca 0.28 0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1cff h PRO 66 Cb 0.50 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1cff h PRO 66 CO -0.85 -0.40 -0.00 1.05 -0.23 0.00 0.00 178.00 177.57 1cff h GLU 67 N -0.62 -0.00 0.00 0.86 4.11 -1.68 -2.40 114.58 114.86 1cff h GLU 67 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1cff h GLU 67 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1cff h GLU 67 CO -0.07 0.11 -0.21 0.35 0.07 0.00 0.00 179.01 179.26 1cff h PHE 68 N -0.11 0.00 -0.66 2.06 3.04 -1.04 -2.41 116.94 117.82 1cff h PHE 68 Ca -0.00 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1cff h PHE 68 Cb 0.11 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1cff h PHE 68 CO -0.04 0.21 0.44 1.25 -2.02 0.00 0.00 178.31 178.14 1cff h LEU 69 N 0.00 0.76 -0.05 0.59 5.85 0.80 -1.96 115.31 121.29 1cff h LEU 69 Ca -0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1cff h LEU 69 Cb 0.39 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1cff h LEU 69 CO 0.03 0.55 -0.05 0.71 -0.34 0.00 0.00 178.44 179.34 1cff h THR 70 N 0.90 1.36 -0.74 1.05 1.35 -1.07 0.74 112.91 116.50 1cff h THR 70 Ca 0.24 -1.17 0.15 0.00 -0.55 0.00 0.00 66.41 65.09 1cff h THR 70 Cb -0.10 2.03 -0.10 0.00 -1.73 0.00 0.00 68.15 68.24 1cff h THR 70 CO -0.05 0.32 0.24 -0.03 -0.25 0.00 0.00 175.52 175.75 1cff h MET 71 N -0.30 0.34 0.19 4.72 4.05 -1.32 -1.12 114.93 121.49 1cff h MET 71 Ca 0.01 -0.02 -0.34 0.00 -0.28 0.00 0.00 59.70 59.07 1cff h MET 71 Cb 0.54 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1cff h MET 71 CO 0.01 0.23 -1.68 0.52 0.23 0.00 0.00 176.91 176.22 1cff h MET 72 N 0.35 0.40 -0.04 0.39 2.07 -1.36 -3.38 114.93 113.36 1cff h MET 72 Ca 0.42 -0.68 0.02 0.00 -2.07 0.00 0.00 59.70 57.38 1cff h MET 72 Cb 0.68 0.25 -0.05 0.00 -1.87 0.00 0.00 31.60 30.61 1cff h MET 72 CO -0.46 1.31 -0.50 0.00 1.07 0.00 0.00 176.91 178.33 1cff h ALA 73 N 0.18 -0.90 -1.36 6.32 0.00 0.11 -3.43 119.26 120.18 1cff h ALA 73 Ca -0.31 -0.07 -0.46 0.00 0.00 0.00 0.00 54.91 54.07 1cff h ALA 73 Cb 2.10 0.94 0.00 0.00 0.00 0.00 0.00 17.79 20.84 1cff h ALA 73 CO 0.19 -1.07 -0.28 -0.98 0.00 0.00 0.00 179.25 177.12 1cff s ARG 74 N -5.53 2.66 0.47 0.00 1.70 -0.48 -5.06 118.95 112.71 1cff s ARG 74 Ca -0.15 -1.40 -0.24 0.00 -0.47 0.00 0.00 55.73 53.47 1cff s ARG 74 Cb 0.06 -2.61 -0.07 0.00 -0.57 0.00 0.00 34.95 31.76 1cff s ARG 74 CO 0.57 -0.33 1.33 -1.59 -1.08 0.00 0.00 175.30 174.20 1cff s LYS 75 N -4.32 3.60 -0.28 3.89 -2.85 -1.26 -4.72 119.74 113.81 1cff s LYS 75 Ca 0.53 2.19 -0.14 0.00 -1.00 0.00 0.00 55.97 57.54 1cff s LYS 75 Cb -0.07 -2.52 -0.12 0.00 -2.06 0.00 0.00 37.83 33.06 1cff s LYS 75 CO 0.32 -0.81 -0.35 0.00 0.10 0.00 0.00 175.35 174.61 1cff n MET 76 N -0.42 0.59 -3.34 1.78 0.00 -1.26 -5.01 117.12 109.45 1cff n MET 76 Ca 0.07 0.27 -0.30 0.00 0.00 0.00 0.00 57.70 57.73 1cff n MET 76 Cb 0.44 -1.49 0.03 0.00 0.00 0.00 0.00 33.22 32.20 1cff n MET 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1cff n LYS 77 N -4.26 -2.03 0.09 3.17 3.00 -1.26 -4.92 118.16 111.94 1cff n LYS 77 Ca -0.53 1.59 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 1cff n LYS 77 Cb 0.87 -3.07 0.00 0.00 0.00 0.00 0.00 35.03 32.84 1cff n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1cff n ASP 78 N -0.32 -1.20 -0.17 3.14 2.03 -1.26 -5.17 116.55 113.60 1cff n ASP 78 Ca -0.04 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1cff n ASP 78 Cb 0.62 1.32 0.00 0.00 -0.72 0.00 0.00 41.12 42.35 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1cff n THR 79 N -2.94 0.00 -2.90 5.18 -2.24 -1.26 -4.98 114.28 105.14 1cff n THR 79 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1cff n THR 79 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1cff n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1cff n ASP 80 N -0.26 -6.11 -1.91 3.42 2.03 -1.26 -5.04 116.55 107.42 1cff n ASP 80 Ca 0.00 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1cff n ASP 80 Cb 0.00 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 35.96 1cff n ASP 80 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1cff n SER 81 N -2.57 0.00 -4.78 1.67 2.88 -1.26 -5.09 113.62 104.47 1cff n SER 81 Ca -0.04 -0.91 -0.31 0.00 -1.33 0.00 0.00 58.87 56.28 1cff n SER 81 Cb 0.57 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.12 1cff n SER 81 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1cff s GLU 82 N -1.94 2.25 -0.28 -1.46 8.01 -1.26 -5.05 118.70 118.97 1cff s GLU 82 Ca 0.00 0.91 0.01 0.00 0.01 0.00 0.00 54.97 55.90 1cff s GLU 82 Cb 0.00 -1.92 0.08 0.00 -4.31 0.00 0.00 34.13 27.99 1cff s GLU 82 CO 0.00 -1.57 0.01 -2.00 0.01 0.00 0.00 175.26 171.71 1cff s GLU 83 N -5.02 1.36 0.00 1.61 2.12 -1.26 -4.69 118.70 112.82 1cff s GLU 83 Ca 0.60 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1cff s GLU 83 Cb -0.16 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.61 1cff s GLU 83 CO 0.55 -0.79 0.00 0.39 -0.54 0.00 0.00 175.26 174.87 1cff n GLU 84 N 4.59 0.00 0.24 4.30 1.02 -1.26 -4.19 120.64 125.35 1cff n GLU 84 Ca -0.05 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.27 1cff n GLU 84 Cb 0.43 0.00 0.81 0.00 -0.02 0.00 0.00 31.44 32.66 1cff n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1cff h ILE 85 N 0.00 0.17 -1.14 -3.67 2.04 -2.00 -2.50 117.51 110.40 1cff h ILE 85 Ca 0.00 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.23 1cff h ILE 85 Cb 0.00 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1cff h ILE 85 CO 0.00 0.00 0.77 -1.14 0.00 0.00 0.00 178.15 177.78 1cff n ARG 86 N -3.25 -0.02 0.00 2.37 0.63 -1.26 0.20 116.66 115.33 1cff n ARG 86 Ca 0.01 0.86 -0.10 0.00 -0.92 0.00 0.00 57.85 57.70 1cff n ARG 86 Cb 0.44 -1.78 -0.08 0.00 0.45 0.00 0.00 32.46 31.49 1cff n ARG 86 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1cff h GLU 87 N 0.00 -0.11 -0.28 -0.14 3.07 -1.83 -2.29 114.58 112.99 1cff h GLU 87 Ca 0.65 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.54 1cff h GLU 87 Cb 2.28 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 30.20 1cff h GLU 87 CO -0.22 0.40 0.19 0.00 -1.40 0.00 0.00 179.01 177.98 1cff h ALA 88 N -0.30 1.92 -0.87 3.43 0.00 0.18 0.32 119.26 123.94 1cff h ALA 88 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1cff h ALA 88 Cb 0.56 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1cff h ALA 88 CO 0.02 0.04 0.49 0.35 0.00 0.00 0.00 179.25 180.15 1cff h PHE 89 N 0.28 1.18 0.00 0.00 3.04 0.23 1.08 116.94 122.74 1cff h PHE 89 Ca 0.11 -0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.84 1cff h PHE 89 Cb 0.11 -0.38 -0.03 0.00 2.56 0.00 0.00 35.95 38.21 1cff h PHE 89 CO -0.00 0.81 -1.02 0.00 -2.02 0.00 0.00 178.31 176.08 1cff h ARG 90 N 1.21 0.00 -0.51 1.11 3.08 -0.49 -1.93 114.38 116.86 1cff h ARG 90 Ca 0.31 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.25 1cff h ARG 90 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1cff h ARG 90 CO -0.05 0.83 -0.10 0.28 -1.07 0.00 0.00 179.97 179.86 1cff h VAL 91 N 0.00 1.26 0.00 2.04 2.07 0.48 -2.75 116.25 119.35 1cff h VAL 91 Ca -0.05 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1cff h VAL 91 Cb 1.73 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1cff h VAL 91 CO 0.11 0.43 -0.38 -0.26 0.02 0.00 0.00 177.57 177.49 1cff h PHE 92 N 0.84 0.00 0.00 1.57 0.04 0.12 -3.28 116.94 116.23 1cff h PHE 92 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1cff h PHE 92 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1cff h PHE 92 CO 0.04 0.00 -0.09 -3.47 -0.60 0.00 0.00 178.31 174.19 1cff n ASP 93 N -2.38 0.37 0.00 2.17 -0.08 -0.73 -4.63 116.55 111.27 1cff n ASP 93 Ca 0.04 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1cff n ASP 93 Cb 0.46 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.44 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 -1.80 0.00 0.10 -0.67 3.00 -1.15 0.36 118.16 118.00 1cff n LYS 94 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.25 1cff n LYS 94 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.35 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1cff h ASP 95 N 0.00 -0.73 0.00 3.14 3.04 -1.91 -3.48 116.42 116.48 1cff h ASP 95 Ca 0.00 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1cff h ASP 95 Cb 0.00 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 1cff h ASP 95 CO 0.00 -0.34 0.00 0.61 -2.04 0.00 0.00 179.24 177.47 1cff n GLY 96 N -1.37 0.44 1.18 7.15 0.00 0.16 -5.10 105.19 107.64 1cff n GLY 96 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.74 0.00 1.61 4.13 -1.26 -5.07 115.26 115.41 1cff n ASN 97 Ca 0.00 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1cff n ASN 97 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 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 3.11 0.95 3.48 7.41 0.00 -1.26 -5.13 105.19 113.75 1cff n GLY 98 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.49 -0.86 1.61 2.02 -1.26 -4.26 117.35 117.09 1cff s TYR 99 Ca 0.00 -0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1cff s TYR 99 Cb 0.00 -1.29 0.22 0.00 -0.40 0.00 0.00 41.96 40.48 1cff s TYR 99 CO 0.00 0.42 0.76 0.42 -1.57 0.00 0.00 175.55 175.58 1cff s ILE 100 N -1.30 4.69 0.05 2.71 1.01 -1.00 -4.85 121.20 122.52 1cff s ILE 100 Ca 0.19 -3.39 -0.28 0.00 0.00 0.00 0.00 60.65 57.18 1cff s ILE 100 Cb -0.10 -3.92 -0.17 0.00 0.01 0.00 0.00 42.46 38.28 1cff s ILE 100 CO 0.10 -1.05 1.53 -1.28 0.00 0.00 0.00 174.94 174.25 1cff h SER 101 N 6.61 -0.42 0.00 3.58 0.87 -1.87 -3.32 113.55 118.99 1cff h SER 101 Ca 0.12 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1cff h SER 101 Cb 0.89 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1cff h SER 101 CO 0.83 -0.21 0.00 0.00 -0.53 0.00 0.00 176.83 176.92 1cff n ALA 102 N -2.37 0.00 -0.08 6.23 0.00 -1.26 -4.80 120.51 118.23 1cff n ALA 102 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 1cff n ALA 102 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.45 -0.73 0.00 0.00 -1.97 0.95 119.26 117.07 1cff h ALA 103 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1cff h ALA 103 Cb 0.00 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1cff h ALA 103 CO 0.00 -0.57 0.31 1.05 0.00 0.00 0.00 179.25 180.03 1cff h GLU 104 N -0.14 0.47 -0.37 0.00 4.11 -1.90 0.34 114.58 117.09 1cff h GLU 104 Ca 0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.48 1cff h GLU 104 Cb 0.23 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1cff h GLU 104 CO -0.27 0.31 0.14 -0.07 0.07 0.00 0.00 179.01 179.19 1cff h LEU 105 N 0.48 0.16 -0.46 3.06 3.38 -1.37 0.97 115.31 121.53 1cff h LEU 105 Ca 0.39 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.43 1cff h LEU 105 Cb 0.54 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1cff h LEU 105 CO -0.36 0.13 0.24 0.03 0.09 0.00 0.00 178.44 178.57 1cff h ARG 106 N 0.30 0.46 0.04 1.13 2.47 0.26 1.48 114.38 120.52 1cff h ARG 106 Ca 0.17 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1cff h ARG 106 Cb 0.13 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1cff h ARG 106 CO -0.16 0.31 -0.02 1.25 0.56 0.00 0.00 179.97 181.91 1cff h HIS 107 N 0.48 -0.04 0.00 3.04 2.76 -0.23 -2.30 115.15 118.86 1cff h HIS 107 Ca 0.20 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1cff h HIS 107 Cb 0.09 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1cff h HIS 107 CO -0.09 0.43 -0.11 -0.39 -1.30 0.00 0.00 177.93 176.46 1cff h VAL 108 N -0.54 1.61 0.00 5.26 -1.51 0.10 -2.62 116.25 118.56 1cff h VAL 108 Ca -0.00 -1.95 0.00 0.00 -1.23 0.00 0.00 66.70 63.52 1cff h VAL 108 Cb 0.49 2.90 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 1cff h VAL 108 CO 0.01 0.52 0.00 -0.03 -1.23 0.00 0.00 177.57 176.84 1cff h MET 109 N -0.69 0.00 0.03 5.19 -1.53 0.20 1.35 114.93 119.48 1cff h MET 109 Ca -0.01 0.00 -0.31 0.00 -3.44 0.00 0.00 59.70 55.93 1cff h MET 109 Cb 0.91 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.91 1cff h MET 109 CO 0.02 0.00 -1.79 2.41 0.14 0.00 0.00 176.91 177.69 1cff n THR 110 N -2.60 1.65 0.10 -0.77 -1.04 -0.87 -1.87 114.28 108.88 1cff n THR 110 Ca 0.01 -0.76 0.04 0.00 -2.04 0.00 0.00 64.05 61.30 1cff n THR 110 Cb 0.24 -1.19 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 1cff n THR 110 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1cff h ASN 111 N 0.02 0.00 0.09 8.00 -1.24 -1.07 -3.31 115.58 118.06 1cff h ASN 111 Ca -0.32 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.59 1cff h ASN 111 Cb 2.02 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.06 1cff h ASN 111 CO 0.08 0.38 -0.32 -0.07 -1.29 0.00 0.00 177.43 176.22 1cff h LEU 112 N 0.00 0.34 0.00 0.34 3.38 0.17 -3.47 115.31 116.07 1cff h LEU 112 Ca -0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1cff h LEU 112 Cb 1.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1cff h LEU 112 CO 0.04 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1cff n GLY 113 N -0.34 1.04 3.86 0.83 0.00 -1.24 -5.07 105.19 104.28 1cff n GLY 113 Ca -0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1cff n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cff s GLU 114 N 0.00 1.65 -0.27 1.61 0.41 -0.78 -4.99 118.70 116.33 1cff s GLU 114 Ca 0.00 0.15 0.12 0.00 -0.41 0.00 0.00 54.97 54.83 1cff s GLU 114 Cb 0.00 -1.91 0.47 0.00 -1.78 0.00 0.00 34.13 30.91 1cff s GLU 114 CO 0.00 -1.82 1.17 0.36 -0.49 0.00 0.00 175.26 174.48 1cff n LYS 115 N -3.48 2.83 -1.55 1.61 2.85 -1.26 -3.93 118.16 115.24 1cff n LYS 115 Ca 0.08 -3.85 -0.28 0.00 -1.05 0.00 0.00 58.31 53.21 1cff n LYS 115 Cb 0.60 -1.97 -0.06 0.00 -0.65 0.00 0.00 35.03 32.95 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1cff n LEU 116 N -0.67 1.85 -4.32 -5.58 4.77 -1.26 -4.91 117.00 106.86 1cff n LEU 116 Ca 0.31 -0.81 -0.31 0.00 -0.03 0.00 0.00 56.01 55.17 1cff n LEU 116 Cb 0.91 -1.53 0.19 0.00 -2.33 0.00 0.00 43.42 40.66 1cff n LEU 116 CO 0.26 -1.89 -0.29 0.35 -1.33 0.00 0.00 177.39 174.49 1cff n THR 117 N 8.14 0.00 0.27 -5.08 -2.24 -1.26 -4.40 114.28 109.71 1cff n THR 117 Ca 0.44 -0.33 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 1cff n THR 117 Cb 0.46 -0.70 0.76 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.21 0.00 0.12 3.42 3.58 -1.97 0.18 116.42 119.54 1cff h ASP 118 Ca -0.55 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.89 1cff h ASP 118 Cb 1.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1cff h ASP 118 CO 0.41 0.10 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.48 1cff h GLU 119 N 0.00 -0.16 -0.79 0.28 5.08 -1.99 -2.77 114.58 114.24 1cff h GLU 119 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 119 Cb 0.30 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1cff h GLU 119 CO 0.01 -0.10 0.45 1.05 -1.00 0.00 0.00 179.01 179.42 1cff h GLU 120 N -0.61 1.09 -0.80 2.33 4.11 -1.89 -2.26 114.58 116.55 1cff h GLU 120 Ca -0.02 -0.12 0.02 0.00 0.07 0.00 0.00 59.36 59.32 1cff h GLU 120 Cb 0.12 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1cff h GLU 120 CO 0.03 0.79 0.53 -0.24 0.07 0.00 0.00 179.01 180.19 1cff h VAL 121 N 1.09 1.16 0.68 -1.06 3.04 -0.79 1.23 116.25 121.60 1cff h VAL 121 Ca 0.28 -0.35 -0.03 0.00 -1.01 0.00 0.00 66.70 65.58 1cff h VAL 121 Cb 0.01 0.05 0.01 0.00 -2.01 0.00 0.00 31.29 29.34 1cff h VAL 121 CO -0.05 0.19 -0.33 -0.78 -1.01 0.00 0.00 177.57 175.60 1cff h ASP 122 N 1.03 -0.77 -0.71 3.17 3.58 -1.11 -1.66 116.42 119.95 1cff h ASP 122 Ca 0.30 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.80 1cff h ASP 122 Cb -0.04 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1cff h ASP 122 CO -0.08 -0.49 0.47 -0.33 -2.88 0.00 0.00 179.24 175.93 1cff h GLU 123 N -1.04 0.89 -0.01 0.28 5.08 -1.29 -1.70 114.58 116.79 1cff h GLU 123 Ca -0.09 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1cff h GLU 123 Cb 0.70 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1cff h GLU 123 CO 0.15 0.59 -0.37 1.98 -1.00 0.00 0.00 179.01 180.36 1cff h MET 124 N 0.91 -0.50 0.00 2.33 4.05 0.16 0.77 114.93 122.66 1cff h MET 124 Ca 0.27 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.70 1cff h MET 124 Cb -0.04 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1cff h MET 124 CO -0.07 -0.34 -0.13 0.82 0.23 0.00 0.00 176.91 177.43 1cff h ILE 125 N -0.52 0.75 -0.09 1.77 1.08 -0.94 0.21 117.51 119.76 1cff h ILE 125 Ca 0.06 -0.52 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1cff h ILE 125 Cb 0.61 1.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1cff h ILE 125 CO -0.30 0.13 -0.06 0.03 -0.69 0.00 0.00 178.15 177.26 1cff h ARG 126 N 0.00 0.21 0.00 2.37 -0.00 0.08 1.21 114.38 118.25 1cff h ARG 126 Ca -0.00 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.98 59.33 1cff h ARG 126 Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.26 1cff h ARG 126 CO 0.02 0.60 -0.23 0.93 0.00 0.00 0.00 179.97 181.29 1cff h GLU 127 N -0.18 0.00 0.20 0.04 4.39 0.10 -2.54 114.58 116.59 1cff h GLU 127 Ca 0.02 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.40 1cff h GLU 127 Cb 0.54 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1cff h GLU 127 CO 0.02 0.23 -1.44 0.00 -1.16 0.00 0.00 179.01 176.66 1cff h ALA 128 N 1.77 -0.01 -1.54 3.43 0.00 -0.68 -3.43 119.26 118.80 1cff h ALA 128 Ca -0.00 -0.92 -0.48 0.00 0.00 0.00 0.00 54.91 53.51 1cff h ALA 128 Cb 0.43 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1cff h ALA 128 CO 0.03 0.86 1.63 -3.47 0.00 0.00 0.00 179.25 178.30 1cff n ASP 129 N -3.62 2.28 0.00 0.00 -0.08 0.41 -4.87 116.55 110.68 1cff n ASP 129 Ca -0.15 -0.41 0.00 0.00 -1.51 0.00 0.00 54.79 52.73 1cff n ASP 129 Cb 1.07 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.99 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 7.95 0.00 -0.14 5.18 -0.00 -1.26 -2.95 119.36 128.14 1cff n ILE 130 Ca 0.38 1.05 -0.03 0.00 -0.00 0.00 0.00 62.75 64.15 1cff n ILE 130 Cb 0.51 -1.80 0.04 0.00 -0.00 0.00 0.00 39.64 38.39 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 -0.23 -3.06 4.38 2.03 -1.96 -3.47 116.42 114.10 1cff h ASP 131 Ca 0.00 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1cff h ASP 131 Cb 0.00 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 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 -1.30 -0.43 0.00 7.15 0.00 -1.15 -5.01 105.19 104.45 1cff n GLY 132 Ca 0.04 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.88 0.87 0.00 1.61 8.00 -1.26 -4.96 116.55 119.93 1cff n ASP 133 Ca 0.00 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1cff n ASP 133 Cb 0.37 1.17 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cff n GLY 134 N 1.42 1.43 3.12 0.44 0.00 -1.26 -5.09 105.19 105.25 1cff n GLY 134 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.63 -0.11 1.61 0.74 -1.26 -4.77 119.66 116.49 1cff s GLN 135 Ca 0.00 -0.87 -0.20 0.00 0.05 0.00 0.00 55.36 54.33 1cff s GLN 135 Cb 0.00 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 1cff s GLN 135 CO 0.00 -0.16 0.58 0.14 -0.55 0.00 0.00 175.29 175.30 1cff s VAL 136 N -3.03 5.11 -0.19 1.34 -7.23 -1.25 -4.81 120.40 110.34 1cff s VAL 136 Ca -0.01 1.17 -0.09 0.00 -1.81 0.00 0.00 61.98 61.23 1cff s VAL 136 Cb 0.01 -3.92 -0.05 0.00 0.56 0.00 0.00 36.38 32.99 1cff s VAL 136 CO -0.07 0.26 0.11 0.21 -0.31 0.00 0.00 175.10 175.31 1cff s ASN 137 N 0.79 6.04 0.41 4.85 3.84 -1.26 -2.37 114.94 127.24 1cff s ASN 137 Ca 0.30 0.19 0.26 0.00 0.21 0.00 0.00 52.86 53.83 1cff s ASN 137 Cb -0.16 -2.05 1.39 0.00 -0.55 0.00 0.00 41.25 39.87 1cff s ASN 137 CO 0.13 0.18 1.60 0.22 -2.79 0.00 0.00 177.10 176.44 1cff h TYR 138 N 6.64 0.66 -1.04 0.43 3.20 -1.98 1.41 116.97 126.31 1cff h TYR 138 Ca -0.40 0.03 0.27 0.00 3.14 0.00 0.00 58.73 61.77 1cff h TYR 138 Cb 1.16 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.19 1cff h TYR 138 CO 0.58 -0.32 0.69 1.05 -1.64 0.00 0.00 178.16 178.52 1cff h GLU 139 N 0.06 0.28 0.00 1.82 4.11 -1.95 0.79 114.58 119.69 1cff h GLU 139 Ca 0.84 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 60.20 1cff h GLU 139 Cb 2.45 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.63 1cff h GLU 139 CO -0.57 0.19 -0.27 0.93 0.07 0.00 0.00 179.01 179.35 1cff h GLU 140 N 0.29 0.00 -0.91 1.06 5.08 0.15 -2.76 114.58 117.49 1cff h GLU 140 Ca 0.56 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 59.01 1cff h GLU 140 Cb 1.62 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.75 1cff h GLU 140 CO -0.20 1.00 -0.54 0.35 -1.00 0.00 0.00 179.01 178.61 1cff h PHE 141 N -0.99 -1.71 -0.02 4.33 3.04 -0.37 0.63 116.94 121.85 1cff h PHE 141 Ca -0.08 0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1cff h PHE 141 Cb 1.07 0.87 -0.00 0.00 2.56 0.00 0.00 35.95 40.45 1cff h PHE 141 CO 0.24 -0.39 0.00 -0.39 -2.02 0.00 0.00 178.31 175.75 1cff h VAL 142 N -0.06 1.22 -0.99 1.41 -1.51 -1.17 -2.69 116.25 112.46 1cff h VAL 142 Ca 0.18 -0.65 0.27 0.00 -1.23 0.00 0.00 66.70 65.27 1cff h VAL 142 Cb 0.47 1.63 -0.13 0.00 -2.13 0.00 0.00 31.29 31.12 1cff h VAL 142 CO -0.90 0.17 0.55 1.56 -1.23 0.00 0.00 177.57 177.73 1cff h GLN 143 N -0.23 0.44 0.17 5.19 4.20 -0.79 1.42 115.11 125.50 1cff h GLN 143 Ca 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1cff h GLN 143 Cb 0.28 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1cff h GLN 143 CO 0.00 0.29 -0.08 0.52 -0.67 0.00 0.00 178.83 178.89 1cff h MET 144 N 0.45 -0.22 0.00 1.46 2.86 0.38 0.77 114.93 120.64 1cff h MET 144 Ca 0.67 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 1cff h MET 144 Cb 1.38 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.09 1cff h MET 144 CO -0.54 0.08 -0.25 0.00 1.06 0.00 0.00 176.91 177.27 1cff n MET 145 N -5.06 0.22 -0.02 1.72 0.00 -0.26 -4.61 117.12 109.12 1cff n MET 145 Ca -0.09 0.38 -0.06 0.00 0.00 0.00 0.00 57.70 57.93 1cff n MET 145 Cb 0.21 -1.20 -0.04 0.00 0.00 0.00 0.00 33.22 32.19 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 -0.48 0.00 -1.09 3.17 1.35 0.16 -3.44 112.91 112.58 1cff h THR 146 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.01 1cff h THR 146 Cb 0.25 0.00 -0.22 0.00 -1.73 0.00 0.00 68.15 66.45 1cff h THR 146 CO 0.00 0.00 0.04 0.00 -0.25 0.00 0.00 175.52 175.31 1cff s ALA 147 N -4.43 -2.62 -2.00 6.62 0.00 -0.93 -5.00 121.76 113.41 1cff s ALA 147 Ca -0.06 1.97 0.09 0.00 0.00 0.00 0.00 51.96 53.96 1cff s ALA 147 Cb 0.03 -2.10 0.57 0.00 0.00 0.00 0.00 23.12 21.62 1cff s ALA 147 CO 0.24 -1.11 1.01 1.63 0.00 0.00 0.00 175.76 177.53