#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 5.87 -0.38 0.00 -1.08 -1.26 -4.83 116.67 115.00 1cff s ASP 2 Ca 0.00 -3.10 0.02 0.00 -0.52 0.00 0.00 52.55 48.95 1cff s ASP 2 Cb 0.00 -1.96 0.28 0.00 -1.46 0.00 0.00 42.92 39.78 1cff s ASP 2 CO 0.00 -0.36 1.19 0.00 0.52 0.00 0.00 175.17 176.53 1cff n GLN 3 N 3.23 0.36 -4.35 4.34 10.64 -1.26 -5.16 117.38 125.19 1cff n GLN 3 Ca 0.14 -1.05 -0.28 0.00 -1.83 0.00 0.00 57.00 53.99 1cff n GLN 3 Cb 0.40 -0.55 -0.11 0.00 -0.86 0.00 0.00 30.24 29.11 1cff n GLN 3 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1cff s LEU 4 N -0.72 2.68 0.56 2.61 -0.00 -1.26 -5.10 118.68 117.45 1cff s LEU 4 Ca 0.26 -0.69 -0.20 0.00 -0.00 0.00 0.00 54.13 53.50 1cff s LEU 4 Cb 0.24 -1.43 -0.06 0.00 -0.00 0.00 0.00 46.19 44.94 1cff s LEU 4 CO -0.14 0.13 1.01 0.35 -0.00 0.00 0.00 176.35 177.70 1cff n THR 5 N 0.35 3.45 0.18 5.48 -2.24 -1.26 -4.92 114.28 115.32 1cff n THR 5 Ca -0.13 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.26 1cff n THR 5 Cb 0.55 -1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 1cff n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cff n GLU 6 N -0.78 0.55 0.11 -0.78 1.02 -1.26 -3.68 120.64 115.82 1cff n GLU 6 Ca 0.12 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.24 1cff n GLU 6 Cb 0.45 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1cff h GLU 7 N 0.00 -0.28 0.00 3.49 5.08 -1.99 1.02 114.58 121.90 1cff h GLU 7 Ca 0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1cff h GLU 7 Cb 0.94 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1cff h GLU 7 CO 0.00 -0.19 -0.01 1.96 -1.00 0.00 0.00 179.01 179.77 1cff h GLN 8 N -0.35 0.00 -0.19 2.33 4.20 -1.99 0.48 115.11 119.59 1cff h GLN 8 Ca -0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 1cff h GLN 8 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1cff h GLN 8 CO 0.05 0.01 -0.68 0.82 -0.67 0.00 0.00 178.83 178.37 1cff h ILE 9 N 0.00 1.30 -0.95 2.54 5.03 -1.60 -2.95 117.51 120.88 1cff h ILE 9 Ca -0.00 -1.91 0.18 0.00 -0.12 0.00 0.00 64.86 63.01 1cff h ILE 9 Cb 0.19 1.87 -0.10 0.00 -3.03 0.00 0.00 36.82 35.75 1cff h ILE 9 CO 0.00 0.60 0.54 0.00 -0.68 0.00 0.00 178.15 178.61 1cff h ALA 10 N 0.71 1.53 -0.25 1.87 0.00 0.34 1.33 119.26 124.80 1cff h ALA 10 Ca -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1cff h ALA 10 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1cff h ALA 10 CO 0.14 -0.09 0.06 0.93 0.00 0.00 0.00 179.25 180.29 1cff h GLU 11 N 0.69 0.40 -0.65 0.00 4.39 -1.50 1.36 114.58 119.27 1cff h GLU 11 Ca 0.54 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 60.19 1cff h GLU 11 Cb 0.84 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 1cff h GLU 11 CO -0.39 0.50 0.43 0.35 -1.16 0.00 0.00 179.01 178.74 1cff h PHE 12 N 0.23 0.71 -0.15 4.33 3.04 -0.27 0.44 116.94 125.27 1cff h PHE 12 Ca 0.08 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.87 1cff h PHE 12 Cb 0.28 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 1cff h PHE 12 CO 0.01 0.40 -0.63 -0.22 -2.02 0.00 0.00 178.31 175.85 1cff h LYS 13 N 0.73 0.55 -0.87 1.11 3.11 0.26 0.17 116.57 121.62 1cff h LYS 13 Ca 0.27 -0.38 0.09 0.00 -2.81 0.00 0.00 60.65 57.81 1cff h LYS 13 Cb 0.15 0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.37 1cff h LYS 13 CO -0.08 1.00 0.52 0.93 -2.81 0.00 0.00 179.45 179.02 1cff h GLU 14 N 0.40 0.87 0.09 1.90 4.39 0.40 0.71 114.58 123.34 1cff h GLU 14 Ca -0.01 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 1cff h GLU 14 Cb 1.19 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1cff h GLU 14 CO 0.12 0.58 -0.69 0.00 -1.16 0.00 0.00 179.01 177.86 1cff h ALA 15 N 1.45 -0.02 0.00 3.43 0.00 -1.30 -2.57 119.26 120.25 1cff h ALA 15 Ca 0.41 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1cff h ALA 15 Cb 0.31 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cff h ALA 15 CO -0.22 0.34 0.09 0.35 0.00 0.00 0.00 179.25 179.81 1cff h PHE 16 N -0.56 0.00 0.02 0.00 3.57 -0.23 2.10 116.94 121.84 1cff h PHE 16 Ca -0.13 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.03 1cff h PHE 16 Cb 1.47 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 1cff h PHE 16 CO 0.21 0.00 -2.05 0.45 -2.23 0.00 0.00 178.31 174.69 1cff n SER 17 N -2.87 0.91 -0.07 0.41 2.88 0.24 -4.08 113.62 111.04 1cff n SER 17 Ca -0.02 0.19 -0.22 0.00 -1.33 0.00 0.00 58.87 57.49 1cff n SER 17 Cb 0.15 0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.60 1cff n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 18 N -3.04 2.10 0.05 2.46 7.99 -0.45 -3.99 117.00 122.11 1cff n LEU 18 Ca -0.27 0.36 0.21 0.00 -0.01 0.00 0.00 56.01 56.30 1cff n LEU 18 Cb 1.08 -1.02 0.66 0.00 -0.11 0.00 0.00 43.42 44.04 1cff n LEU 18 CO 0.42 0.46 1.19 0.15 -1.51 0.00 0.00 177.39 178.10 1cff h PHE 19 N -0.66 0.00 0.00 -1.77 3.57 0.31 0.51 116.94 118.90 1cff h PHE 19 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1cff h PHE 19 Cb 1.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1cff h PHE 19 CO 0.09 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 175.77 1cff n ASP 20 N -3.49 0.38 -4.30 0.41 5.75 -1.26 -4.85 116.55 109.19 1cff n ASP 20 Ca 0.10 0.64 -0.35 0.00 -0.01 0.00 0.00 54.79 55.18 1cff n ASP 20 Cb 0.82 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1cff n ASP 20 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1cff n LYS 21 N -1.97 -1.77 0.17 0.11 4.81 0.18 -4.54 118.16 115.14 1cff n LYS 21 Ca 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1cff n LYS 21 Cb 0.09 -4.41 0.00 0.00 0.02 0.00 0.00 35.03 30.74 1cff n LYS 21 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1cff n ASP 22 N -2.73 -1.95 0.00 3.14 8.00 -1.26 -4.88 116.55 116.86 1cff n ASP 22 Ca -0.11 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1cff n ASP 22 Cb 0.58 1.94 0.00 0.00 -0.02 0.00 0.00 41.12 43.62 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cff n GLY 23 N 0.04 1.21 0.10 0.44 0.00 -1.26 -4.99 105.19 100.73 1cff n GLY 23 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1cff n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cff n ASP 24 N 0.00 0.56 0.00 1.61 5.68 -1.26 -5.00 116.55 118.15 1cff n ASP 24 Ca 0.00 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1cff n ASP 24 Cb 0.00 0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 25 N 1.76 0.37 3.76 6.12 0.00 -1.26 -5.08 105.19 110.87 1cff n GLY 25 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 5.11 -0.36 2.61 -4.23 -1.26 -4.67 115.64 110.83 1cff s THR 26 Ca 0.00 0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.43 1cff s THR 26 Cb 0.00 -3.25 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 1cff s THR 26 CO 0.00 0.55 0.34 -0.63 -0.54 0.00 0.00 174.62 174.34 1cff s ILE 27 N -0.45 5.19 0.35 2.99 -1.09 -0.97 -4.78 121.20 122.44 1cff s ILE 27 Ca 0.11 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 1cff s ILE 27 Cb -0.12 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1cff s ILE 27 CO 0.02 -0.16 0.11 -0.89 -1.23 0.00 0.00 174.94 172.79 1cff s THR 28 N 1.92 0.72 0.48 2.92 2.01 -1.26 -1.90 115.64 120.54 1cff s THR 28 Ca 0.10 -2.00 0.34 0.00 0.31 0.00 0.00 61.69 60.43 1cff s THR 28 Cb -0.17 -2.53 0.54 0.00 0.01 0.00 0.00 72.50 70.34 1cff s THR 28 CO 0.11 0.00 1.70 0.71 -0.69 0.00 0.00 174.62 176.45 1cff h THR 29 N 2.01 0.26 0.23 -0.82 1.35 -1.94 0.67 112.91 114.68 1cff h THR 29 Ca -0.37 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 29 Cb 1.26 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 1cff h THR 29 CO 0.60 0.02 -0.33 0.50 -0.25 0.00 0.00 175.52 176.07 1cff h LYS 30 N 0.10 -0.56 0.13 4.72 1.63 -1.97 1.18 116.57 121.80 1cff h LYS 30 Ca 0.73 0.04 -0.29 0.00 -0.85 0.00 0.00 60.65 60.27 1cff h LYS 30 Cb 2.51 0.13 0.02 0.00 -0.60 0.00 0.00 32.23 34.29 1cff h LYS 30 CO -0.19 -0.37 -1.25 1.05 -3.45 0.00 0.00 179.45 175.24 1cff h GLU 31 N -0.58 0.51 -0.62 1.90 9.09 -1.47 -2.77 114.58 120.65 1cff h GLU 31 Ca -0.03 -0.72 0.01 0.00 0.05 0.00 0.00 59.36 58.66 1cff h GLU 31 Cb 0.53 0.25 -0.03 0.00 -1.65 0.00 0.00 28.75 27.84 1cff h GLU 31 CO -0.09 1.32 0.41 1.25 0.05 0.00 0.00 179.01 181.95 1cff h LEU 32 N 0.21 0.71 -0.30 3.06 7.12 0.31 -2.03 115.31 124.39 1cff h LEU 32 Ca -0.18 -0.02 -0.20 0.00 0.13 0.00 0.00 57.88 57.62 1cff h LEU 32 Cb 1.93 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.88 1cff h LEU 32 CO 0.23 0.52 -0.66 1.23 -0.13 0.00 0.00 178.44 179.62 1cff h GLY 33 N 0.84 0.80 0.27 3.75 0.00 0.14 -1.36 103.07 107.51 1cff h GLY 33 Ca 0.23 -1.03 0.06 0.00 0.00 0.00 0.00 47.33 46.59 1cff h GLY 33 CO -0.05 0.92 -0.15 -0.84 0.00 0.00 0.00 176.54 176.42 1cff h THR 34 N 0.52 0.56 -0.36 4.70 2.02 -1.07 0.92 112.91 120.20 1cff h THR 34 Ca -0.02 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1cff h THR 34 Cb 1.26 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1cff h THR 34 CO 0.13 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.51 1cff h VAL 35 N -0.11 1.28 0.00 3.16 2.07 -1.50 0.46 116.25 121.61 1cff h VAL 35 Ca 0.15 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1cff h VAL 35 Cb 0.34 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1cff h VAL 35 CO -0.36 0.38 0.00 0.80 0.02 0.00 0.00 177.57 178.42 1cff n MET 36 N -4.39 0.09 -0.09 1.57 0.00 -0.51 0.16 117.12 113.95 1cff n MET 36 Ca -0.02 0.39 -0.12 0.00 0.00 0.00 0.00 57.70 57.95 1cff n MET 36 Cb 0.35 -1.69 -0.10 0.00 0.00 0.00 0.00 33.22 31.77 1cff n MET 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1cff n ARG 37 N -1.86 0.82 0.03 2.12 5.12 0.31 0.21 116.66 123.41 1cff n ARG 37 Ca 0.02 0.07 0.12 0.00 -1.93 0.00 0.00 57.85 56.13 1cff n ARG 37 Cb 0.15 -1.41 0.10 0.00 -1.16 0.00 0.00 32.46 30.15 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1cff n SER 38 N -2.92 0.63 0.07 0.55 7.64 0.16 -4.23 113.62 115.52 1cff n SER 38 Ca -0.32 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1cff n SER 38 Cb 0.93 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 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 -1.94 0.03 0.00 -3.43 7.99 0.43 -4.83 117.00 115.25 1cff n LEU 39 Ca 0.03 0.24 0.03 0.00 -0.01 0.00 0.00 56.01 56.30 1cff n LEU 39 Cb 0.42 0.15 0.15 0.00 -0.11 0.00 0.00 43.42 44.03 1cff n LEU 39 CO 0.38 -0.66 0.60 0.61 -1.51 0.00 0.00 177.39 176.81 1cff n GLY 40 N 1.88 -0.70 3.46 -0.72 0.00 0.17 -4.74 105.19 104.54 1cff n GLY 40 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1cff n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cff n GLN 41 N -1.47 0.00 0.05 1.61 10.64 0.56 -3.73 117.38 125.04 1cff n GLN 41 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1cff n GLN 41 Cb 0.08 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1cff n ASN 42 N 6.83 -0.97 -3.61 2.61 5.03 -1.26 -5.02 115.26 118.87 1cff n ASN 42 Ca 0.67 0.30 0.00 0.00 0.87 0.00 0.00 54.58 56.42 1cff n ASN 42 Cb 0.11 1.15 0.00 0.00 -1.02 0.00 0.00 39.78 40.01 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1cff n PRO 43 N -2.67 2.04 -3.14 3.52 -0.02 -1.24 -5.01 135.00 128.47 1cff n PRO 43 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1cff n PRO 43 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1cff s THR 44 N 0.00 4.72 0.22 3.45 -4.23 -1.26 -4.98 115.64 113.56 1cff s THR 44 Ca 0.00 0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 61.29 1cff s THR 44 Cb 0.00 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.41 1cff s THR 44 CO 0.00 -0.21 1.89 -0.08 -0.54 0.00 0.00 174.62 175.68 1cff h GLU 45 N 2.19 1.07 0.00 3.99 4.22 -1.99 -1.51 114.58 122.55 1cff h GLU 45 Ca -0.48 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 58.90 1cff h GLU 45 Cb 1.17 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1cff h GLU 45 CO 0.66 0.71 -0.00 0.00 -2.18 0.00 0.00 179.01 178.19 1cff h ALA 46 N 1.32 1.00 -1.01 2.92 0.00 -2.02 -3.28 119.26 118.19 1cff h ALA 46 Ca 0.31 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.60 1cff h ALA 46 Cb -0.09 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.54 1cff h ALA 46 CO -0.08 0.00 0.56 1.05 0.00 0.00 0.00 179.25 180.78 1cff h GLU 47 N 0.00 0.14 -0.99 0.00 -0.00 -1.66 1.31 114.58 113.39 1cff h GLU 47 Ca -0.00 -0.01 0.15 0.00 -0.00 0.00 0.00 59.36 59.50 1cff h GLU 47 Cb 0.68 -0.03 -0.09 0.00 -0.00 0.00 0.00 28.75 29.31 1cff h GLU 47 CO 0.00 0.09 0.62 1.37 -0.00 0.00 0.00 179.01 181.09 1cff h LEU 48 N 0.15 0.83 -1.15 3.06 8.10 -1.73 1.56 115.31 126.13 1cff h LEU 48 Ca 0.80 0.07 -0.07 0.00 0.11 0.00 0.00 57.88 58.78 1cff h LEU 48 Cb 2.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 42.11 1cff h LEU 48 CO -0.69 0.38 -0.18 -0.61 -4.11 0.00 0.00 178.44 173.23 1cff h GLN 49 N 0.86 0.38 -0.03 0.17 5.75 0.14 0.64 115.11 123.02 1cff h GLN 49 Ca 0.52 -0.11 -0.20 0.00 -0.15 0.00 0.00 58.65 58.71 1cff h GLN 49 Cb 0.69 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1cff h GLN 49 CO -0.30 0.55 -0.82 0.22 -2.65 0.00 0.00 178.83 175.83 1cff h ASP 50 N 0.34 0.42 0.75 -0.69 3.58 0.12 0.12 116.42 121.06 1cff h ASP 50 Ca 0.06 -0.31 -0.15 0.00 0.42 0.00 0.00 57.03 57.05 1cff h ASP 50 Cb 0.52 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1cff h ASP 50 CO 0.03 1.07 -0.71 -0.03 -2.88 0.00 0.00 179.24 176.73 1cff h MET 51 N 0.21 0.00 0.10 0.28 4.05 0.26 0.76 114.93 120.60 1cff h MET 51 Ca -0.05 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.19 1cff h MET 51 Cb 1.42 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.24 1cff h MET 51 CO 0.14 0.71 -0.77 0.82 0.23 0.00 0.00 176.91 178.03 1cff h ILE 52 N 0.00 1.48 -0.01 1.77 1.08 0.38 -3.27 117.51 118.95 1cff h ILE 52 Ca -0.01 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1cff h ILE 52 Cb 1.27 3.02 0.00 0.00 -3.07 0.00 0.00 36.82 38.04 1cff h ILE 52 CO 0.09 0.69 -0.03 0.59 -0.69 0.00 0.00 178.15 178.80 1cff n ASN 53 N -4.14 0.59 0.01 1.72 5.03 0.41 -3.54 115.26 115.33 1cff n ASN 53 Ca -0.13 -1.03 -0.18 0.00 0.87 0.00 0.00 54.58 54.11 1cff n ASN 53 Cb 0.79 -0.02 -0.14 0.00 -1.02 0.00 0.00 39.78 39.38 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1cff h GLU 54 N 0.88 0.21 -0.12 3.52 4.39 -0.88 -3.30 114.58 119.27 1cff h GLU 54 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1cff h GLU 54 Cb 0.25 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1cff h GLU 54 CO 0.00 1.17 0.00 1.33 -1.16 0.00 0.00 179.01 180.35 1cff n VAL 55 N -4.27 0.15 -0.52 3.13 0.24 -1.25 -4.62 118.33 111.18 1cff n VAL 55 Ca -0.13 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 61.72 1cff n VAL 55 Cb 0.72 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.21 3.43 0.07 -1.34 8.00 -1.23 -4.48 116.55 121.21 1cff n ASP 56 Ca 0.17 -2.19 0.09 0.00 0.71 0.00 0.00 54.79 53.57 1cff n ASP 56 Cb 0.32 -0.89 0.55 0.00 -0.02 0.00 0.00 41.12 41.07 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 6.48 1.97 0.00 2.24 0.00 -1.90 -1.57 119.26 126.48 1cff h ALA 57 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1cff h ALA 57 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1cff h ALA 57 CO 1.20 -0.02 -1.53 -0.40 0.00 0.00 0.00 179.25 178.49 1cff n ASP 58 N -4.48 1.39 -2.54 0.00 5.68 -1.26 -4.98 116.55 110.36 1cff n ASP 58 Ca 0.03 -0.14 -0.10 0.00 -0.50 0.00 0.00 54.79 54.08 1cff n ASP 58 Cb 0.20 1.58 -0.02 0.00 -1.14 0.00 0.00 41.12 41.75 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 59 N 1.59 -0.34 0.30 6.12 0.00 -0.59 -4.72 105.19 107.55 1cff n GLY 59 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.21 0.24 0.00 1.61 -1.07 -1.93 -3.44 115.58 110.77 1cff h ASN 60 Ca -0.14 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.22 1cff h ASN 60 Cb 0.83 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.02 1cff h ASN 60 CO 0.21 0.16 0.00 0.61 0.07 0.00 0.00 177.43 178.49 1cff n GLY 61 N -1.52 -0.43 0.94 9.14 0.00 -1.26 -5.16 105.19 106.90 1cff n GLY 61 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.97 2.61 -2.24 -1.26 -5.10 114.28 106.33 1cff n THR 62 Ca 0.00 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 1cff n THR 62 Cb 0.00 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.58 3.38 0.08 2.28 -1.09 -0.80 -4.87 121.20 117.60 1cff s ILE 63 Ca 0.07 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.86 1cff s ILE 63 Cb -0.00 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1cff s ILE 63 CO 0.05 -0.54 0.05 -0.62 -1.23 0.00 0.00 174.94 172.65 1cff s ASP 64 N 7.40 5.38 0.30 3.58 -1.08 -1.26 -2.30 116.67 128.69 1cff s ASP 64 Ca 0.77 -0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.78 1cff s ASP 64 Cb -0.19 -1.40 0.79 0.00 -1.46 0.00 0.00 42.92 40.66 1cff s ASP 64 CO 0.28 0.17 1.62 0.15 0.52 0.00 0.00 175.17 177.92 1cff h PHE 65 N 3.33 0.30 0.23 -5.34 3.57 -1.93 0.92 116.94 118.02 1cff h PHE 65 Ca -0.47 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1cff h PHE 65 Cb 1.16 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1cff h PHE 65 CO 0.61 -0.29 -0.13 -1.35 -2.23 0.00 0.00 178.31 174.91 1cff h PRO 66 N 0.14 -0.33 -0.26 6.41 0.11 -1.98 0.54 132.00 136.62 1cff h PRO 66 Ca 0.59 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.54 1cff h PRO 66 Cb 1.26 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1cff h PRO 66 CO -0.73 -0.22 -0.58 1.05 -0.21 0.00 0.00 178.00 177.30 1cff h GLU 67 N -0.35 0.83 -0.00 1.05 4.11 -1.69 -2.74 114.58 115.80 1cff h GLU 67 Ca -0.02 -0.55 -0.11 0.00 0.07 0.00 0.00 59.36 58.75 1cff h GLU 67 Cb 0.28 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1cff h GLU 67 CO 0.03 1.18 -0.53 0.35 0.07 0.00 0.00 179.01 180.11 1cff h PHE 68 N 0.63 0.00 0.00 2.06 3.04 -0.81 -2.84 116.94 119.02 1cff h PHE 68 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1cff h PHE 68 Cb 1.19 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1cff h PHE 68 CO 0.07 0.53 0.00 -0.11 -2.02 0.00 0.00 178.31 176.78 1cff n LEU 69 N -3.91 0.56 -0.23 0.59 7.94 0.19 -2.64 117.00 119.50 1cff n LEU 69 Ca -0.01 0.57 -0.03 0.00 -1.11 0.00 0.00 56.01 55.42 1cff n LEU 69 Cb 0.54 -0.26 0.03 0.00 0.53 0.00 0.00 43.42 44.27 1cff n LEU 69 CO 0.41 -0.26 0.66 0.71 -1.11 0.00 0.00 177.39 177.80 1cff h THR 70 N 0.00 0.19 -0.10 1.96 1.35 -1.62 -1.09 112.91 113.60 1cff h THR 70 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 1cff h THR 70 Cb 0.00 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 66.58 1cff h THR 70 CO 0.00 0.00 -0.26 0.24 -0.25 0.00 0.00 175.52 175.25 1cff h MET 71 N -0.10 -0.24 -0.52 4.72 2.86 -1.64 1.36 114.93 121.38 1cff h MET 71 Ca 0.28 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 58.09 1cff h MET 71 Cb 0.55 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1cff h MET 71 CO -0.72 -0.16 0.41 1.98 1.06 0.00 0.00 176.91 179.48 1cff h MET 72 N -0.24 0.00 0.00 1.72 -1.53 -1.21 0.87 114.93 114.53 1cff h MET 72 Ca 0.02 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.18 1cff h MET 72 Cb 0.30 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.34 1cff h MET 72 CO -0.23 0.00 -0.93 0.00 0.14 0.00 0.00 176.91 175.89 1cff h ALA 73 N 1.67 0.66 -2.69 0.39 0.00 0.25 -3.46 119.26 116.09 1cff h ALA 73 Ca 0.25 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 54.13 1cff h ALA 73 Cb 1.07 0.09 0.05 0.00 0.00 0.00 0.00 17.79 19.00 1cff h ALA 73 CO -0.00 0.59 0.77 0.50 0.00 0.00 0.00 179.25 181.11 1cff s ARG 74 N -3.03 4.27 -1.01 0.00 3.52 0.45 -3.17 118.95 119.98 1cff s ARG 74 Ca 0.01 2.27 -0.02 0.00 -0.13 0.00 0.00 55.73 57.86 1cff s ARG 74 Cb 0.08 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 1cff s ARG 74 CO 0.77 -0.45 0.85 1.63 -0.81 0.00 0.00 175.30 177.30 1cff n LYS 75 N 2.88 -4.45 -1.84 5.12 5.02 -1.26 -4.87 118.16 118.75 1cff n LYS 75 Ca 0.09 0.75 -0.40 0.00 -2.02 0.00 0.00 58.31 56.73 1cff n LYS 75 Cb 0.40 -5.41 -0.03 0.00 -0.02 0.00 0.00 35.03 29.98 1cff n LYS 75 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1cff s MET 76 N -4.85 2.76 0.28 1.97 1.75 -1.19 -4.96 119.30 115.05 1cff s MET 76 Ca 0.14 1.25 0.08 0.00 -1.25 0.00 0.00 55.69 55.92 1cff s MET 76 Cb -0.02 -4.38 -0.04 0.00 2.84 0.00 0.00 34.83 33.23 1cff s MET 76 CO 0.64 -2.54 0.12 0.15 -0.65 0.00 0.00 175.02 172.74 1cff s LYS 77 N 6.87 2.59 0.00 4.11 -0.14 -1.26 -4.94 119.74 126.96 1cff s LYS 77 Ca 0.83 -1.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.16 1cff s LYS 77 Cb -0.19 -2.35 0.00 0.00 -1.68 0.00 0.00 37.83 33.61 1cff s LYS 77 CO 0.28 0.33 0.00 -3.47 -0.76 0.00 0.00 175.35 171.72 1cff n ASP 78 N -1.08 0.00 0.16 2.83 -0.08 -1.26 -5.03 116.55 112.09 1cff n ASP 78 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1cff n ASP 78 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1cff n THR 79 N 0.00 0.00 -1.45 5.18 -2.24 -1.26 -5.17 114.28 109.34 1cff n THR 79 Ca 0.00 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1cff n THR 79 Cb 0.00 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 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 -3.38 -7.77 -1.96 3.42 2.03 -1.26 -5.01 116.55 102.62 1cff n ASP 80 Ca 0.00 1.44 -0.01 0.00 0.52 0.00 0.00 54.79 56.75 1cff n ASP 80 Cb 0.00 -4.98 -0.01 0.00 -0.72 0.00 0.00 41.12 35.41 1cff n ASP 80 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1cff n SER 81 N -4.36 -3.19 -1.27 1.67 3.41 -1.26 -4.94 113.62 103.67 1cff n SER 81 Ca -0.09 0.55 0.15 0.00 -0.26 0.00 0.00 58.87 59.21 1cff n SER 81 Cb 0.68 -2.69 -0.06 0.00 -0.26 0.00 0.00 64.21 61.88 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1cff n GLU 82 N 0.43 -2.56 0.00 4.33 2.13 -1.26 -5.04 120.64 118.66 1cff n GLU 82 Ca -0.06 1.96 0.00 0.00 0.66 0.00 0.00 57.16 59.71 1cff n GLU 82 Cb 0.10 -3.15 0.00 0.00 0.27 0.00 0.00 31.44 28.66 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 -3.91 0.00 -0.06 5.31 1.02 -1.26 -4.97 120.64 116.77 1cff n GLU 83 Ca -0.04 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 1cff n GLU 83 Cb 0.63 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.92 1cff n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1cff n GLU 84 N 0.00 0.70 0.32 3.49 1.02 -1.26 -4.05 120.64 120.86 1cff n GLU 84 Ca 0.00 0.20 0.21 0.00 -0.02 0.00 0.00 57.16 57.55 1cff n GLU 84 Cb 0.00 -1.63 1.13 0.00 -0.02 0.00 0.00 31.44 30.93 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 0.03 0.00 -1.76 -3.67 1.08 -2.00 -2.72 117.51 108.48 1cff h ILE 85 Ca -0.48 0.00 0.51 0.00 -0.39 0.00 0.00 64.86 64.50 1cff h ILE 85 Cb 2.00 0.92 -0.07 0.00 -3.07 0.00 0.00 36.82 36.60 1cff h ILE 85 CO 0.01 0.00 1.30 -0.09 -0.69 0.00 0.00 178.15 178.68 1cff h ARG 86 N 0.00 0.00 0.00 2.37 2.43 -1.95 1.87 114.38 119.11 1cff h ARG 86 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1cff h ARG 86 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1cff h ARG 86 CO 0.00 0.00 -0.33 1.49 -1.51 0.00 0.00 179.97 179.62 1cff h GLU 87 N 0.00 0.00 -0.28 0.20 4.81 -1.79 -2.65 114.58 114.87 1cff h GLU 87 Ca 0.84 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 60.13 1cff h GLU 87 Cb 3.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 32.79 1cff h GLU 87 CO -0.01 0.55 0.20 0.00 -0.73 0.00 0.00 179.01 179.02 1cff h ALA 88 N -0.55 2.12 -0.43 2.92 0.00 -0.79 0.87 119.26 123.40 1cff h ALA 88 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1cff h ALA 88 Cb 0.69 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cff h ALA 88 CO -0.04 -0.19 -0.02 0.35 0.00 0.00 0.00 179.25 179.35 1cff h PHE 89 N 0.11 0.85 0.00 0.00 3.57 0.26 0.24 116.94 121.98 1cff h PHE 89 Ca 0.13 -0.15 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 1cff h PHE 89 Cb 0.37 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1cff h PHE 89 CO -0.00 0.84 -0.87 0.00 -2.23 0.00 0.00 178.31 176.05 1cff h ARG 90 N 0.60 0.00 -0.33 1.11 -0.00 -0.71 -0.87 114.38 114.18 1cff h ARG 90 Ca 0.12 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.51 1cff h ARG 90 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.47 1cff h ARG 90 CO 0.03 0.87 -0.17 0.28 0.00 0.00 0.00 179.97 180.98 1cff h VAL 91 N 0.00 1.25 -0.02 2.04 2.07 0.94 -3.01 116.25 119.52 1cff h VAL 91 Ca -0.01 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1cff h VAL 91 Cb 1.62 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1cff h VAL 91 CO 0.11 0.38 -0.31 0.49 0.02 0.00 0.00 177.57 178.27 1cff n PHE 92 N -4.16 0.00 0.82 1.57 3.01 0.84 -4.23 117.46 115.31 1cff n PHE 92 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 1cff n PHE 92 Cb 0.37 -0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.35 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cff n ASP 93 N 0.43 0.40 0.00 4.37 2.03 -0.34 -4.66 116.55 118.78 1cff n ASP 93 Ca 0.11 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1cff n ASP 93 Cb 0.51 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.86 0.00 0.26 -0.67 0.00 -1.25 0.16 118.16 114.80 1cff n LYS 94 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.21 1cff n LYS 94 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.33 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 -0.51 0.00 3.14 3.04 -1.95 -3.48 116.42 116.65 1cff h ASP 95 Ca 0.00 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1cff h ASP 95 Cb 0.00 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 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 -1.24 0.71 1.67 7.15 0.00 0.43 -5.11 105.19 108.80 1cff n GLY 96 Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.25 0.00 1.61 4.13 -1.26 -5.07 115.26 114.92 1cff n ASN 97 Ca 0.00 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1cff n ASN 97 Cb 0.00 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 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 2.18 1.11 3.72 7.41 0.00 -1.26 -5.13 105.19 113.22 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 3.03 -0.85 1.61 2.02 -1.26 -4.20 117.35 117.70 1cff s TYR 99 Ca 0.00 -0.03 -0.06 0.00 -0.37 0.00 0.00 57.07 56.62 1cff s TYR 99 Cb 0.00 -1.52 0.21 0.00 -0.40 0.00 0.00 41.96 40.26 1cff s TYR 99 CO 0.00 0.50 0.74 0.42 -1.57 0.00 0.00 175.55 175.64 1cff s ILE 100 N -1.47 4.70 0.01 2.71 1.01 0.14 -4.89 121.20 123.42 1cff s ILE 100 Ca 0.28 -3.29 -0.10 0.00 0.00 0.00 0.00 60.65 57.54 1cff s ILE 100 Cb -0.11 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 1cff s ILE 100 CO 0.20 -1.04 1.11 -1.28 0.00 0.00 0.00 174.94 173.93 1cff h SER 101 N 6.72 -0.29 0.00 3.58 0.87 -1.91 -3.23 113.55 119.29 1cff h SER 101 Ca 0.11 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1cff h SER 101 Cb 0.90 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1cff h SER 101 CO 0.82 -0.20 0.00 0.00 -0.53 0.00 0.00 176.83 176.92 1cff n ALA 102 N -2.18 0.00 -0.06 6.23 0.00 -1.26 -4.66 120.51 118.58 1cff n ALA 102 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 1cff n ALA 102 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.51 -1.01 0.00 0.00 -1.94 1.75 119.26 117.55 1cff h ALA 103 Ca 0.00 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.20 1cff h ALA 103 Cb 0.00 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1cff h ALA 103 CO 0.00 -0.62 0.75 1.05 0.00 0.00 0.00 179.25 180.42 1cff h GLU 104 N -0.17 0.00 0.11 0.00 4.11 -1.91 0.51 114.58 117.22 1cff h GLU 104 Ca 0.03 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.24 1cff h GLU 104 Cb 0.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.53 1cff h GLU 104 CO -0.25 0.00 -0.94 -0.07 0.07 0.00 0.00 179.01 177.82 1cff h LEU 105 N 0.00 0.63 0.03 3.06 -0.00 -0.67 -1.56 115.31 116.80 1cff h LEU 105 Ca 0.48 -0.87 0.02 0.00 -0.00 0.00 0.00 57.88 57.51 1cff h LEU 105 Cb 1.96 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 42.40 1cff h LEU 105 CO -0.01 1.44 -0.15 -0.09 -0.00 0.00 0.00 178.44 179.64 1cff h ARG 106 N -0.08 -0.25 -0.13 1.13 1.12 0.72 1.39 114.38 118.27 1cff h ARG 106 Ca -0.15 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.69 1cff h ARG 106 Cb 1.68 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 31.70 1cff h ARG 106 CO 0.18 -0.17 -0.10 1.25 -3.11 0.00 0.00 179.97 178.02 1cff h HIS 107 N -0.26 0.34 0.03 2.20 2.76 -1.04 -2.37 115.15 116.82 1cff h HIS 107 Ca 0.04 -0.10 -0.21 0.00 -2.20 0.00 0.00 60.37 57.91 1cff h HIS 107 Cb 0.31 -0.07 0.02 0.00 1.55 0.00 0.00 27.41 29.22 1cff h HIS 107 CO -0.19 0.67 -0.84 -0.39 -1.30 0.00 0.00 177.93 175.88 1cff h VAL 108 N -0.08 1.37 0.00 5.26 -1.51 -1.20 -2.53 116.25 117.56 1cff h VAL 108 Ca 0.02 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.27 1cff h VAL 108 Cb 0.60 2.61 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 1cff h VAL 108 CO 0.03 0.66 0.00 -0.03 -1.23 0.00 0.00 177.57 177.00 1cff h MET 109 N 0.06 0.00 0.00 5.19 -1.53 0.18 1.31 114.93 120.13 1cff h MET 109 Ca -0.11 0.00 -0.27 0.00 -3.44 0.00 0.00 59.70 55.87 1cff h MET 109 Cb 1.54 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.54 1cff h MET 109 CO 0.16 0.00 -1.58 0.00 0.14 0.00 0.00 176.91 175.64 1cff h THR 110 N 0.00 0.99 0.00 -0.77 1.03 -1.45 -3.21 112.91 109.50 1cff h THR 110 Ca 0.00 -2.81 -0.16 0.00 -0.01 0.00 0.00 66.41 63.43 1cff h THR 110 Cb 0.49 2.48 -0.03 0.00 -1.07 0.00 0.00 68.15 70.03 1cff h THR 110 CO 0.00 0.56 -1.43 0.59 -0.01 0.00 0.00 175.52 175.23 1cff n ASN 111 N -3.09 0.82 0.29 0.00 3.02 -0.95 -3.99 115.26 111.35 1cff n ASN 111 Ca -0.14 0.36 0.18 0.00 -0.03 0.00 0.00 54.58 54.95 1cff n ASN 111 Cb 1.03 0.24 0.97 0.00 -0.61 0.00 0.00 39.78 41.40 1cff n ASN 111 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1cff h LEU 112 N 0.00 0.00 0.00 3.41 3.38 0.16 -3.44 115.31 118.82 1cff h LEU 112 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1cff h LEU 112 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1cff h LEU 112 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1cff n GLY 113 N -1.27 1.15 0.00 0.83 0.00 -1.26 -5.07 105.19 99.57 1cff n GLY 113 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.84 -2.70 1.61 -0.58 -1.21 -5.05 120.64 114.55 1cff n GLU 114 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1cff n GLU 114 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 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 -0.32 1.28 -2.18 3.49 4.81 -1.26 -4.28 118.16 119.70 1cff n LYS 115 Ca 0.00 -3.02 -0.31 0.00 -0.87 0.00 0.00 58.31 54.11 1cff n LYS 115 Cb 0.00 -1.08 -0.05 0.00 0.02 0.00 0.00 35.03 33.92 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 -3.32 3.25 1.00 3.14 1.43 -1.26 -4.95 118.68 117.96 1cff s LEU 116 Ca 0.26 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 1cff s LEU 116 Cb 0.42 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 1cff s LEU 116 CO -0.00 -2.44 -0.45 0.35 0.23 0.00 0.00 176.35 174.04 1cff n THR 117 N 7.60 0.00 0.25 5.49 -2.24 -1.26 -3.96 114.28 120.16 1cff n THR 117 Ca 0.39 -0.32 0.18 0.00 -2.27 0.00 0.00 64.05 62.03 1cff n THR 117 Cb 0.48 -0.25 0.86 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.28 0.00 0.26 3.42 3.58 -1.92 0.19 116.42 120.66 1cff h ASP 118 Ca -0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 1cff h ASP 118 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1cff h ASP 118 CO 0.28 0.00 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.18 1cff h GLU 119 N 0.00 -0.33 -0.49 0.28 5.08 -1.99 -2.39 114.58 114.73 1cff h GLU 119 Ca 0.06 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1cff h GLU 119 Cb 0.61 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1cff h GLU 119 CO -0.00 -0.22 0.03 1.05 -1.00 0.00 0.00 179.01 178.87 1cff h GLU 120 N -0.93 0.85 0.00 2.33 4.11 -1.74 -2.82 114.58 116.37 1cff h GLU 120 Ca -0.04 -0.25 -0.07 0.00 0.07 0.00 0.00 59.36 59.07 1cff h GLU 120 Cb 0.26 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1cff h GLU 120 CO 0.06 0.87 -0.33 -0.24 0.07 0.00 0.00 179.01 179.44 1cff h VAL 121 N 0.71 1.18 -0.04 -1.06 3.04 -0.77 -0.91 116.25 118.40 1cff h VAL 121 Ca 0.14 -1.13 -0.01 0.00 -1.01 0.00 0.00 66.70 64.69 1cff h VAL 121 Cb 0.47 1.62 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1cff h VAL 121 CO 0.02 0.32 0.00 -0.78 -1.01 0.00 0.00 177.57 176.12 1cff h ASP 122 N 0.00 0.07 0.42 3.17 3.58 -1.21 -2.74 116.42 119.71 1cff h ASP 122 Ca -0.00 -0.31 -0.07 0.00 0.42 0.00 0.00 57.03 57.07 1cff h ASP 122 Cb 0.59 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 1cff h ASP 122 CO 0.04 0.36 -0.33 -0.33 -2.88 0.00 0.00 179.24 176.10 1cff h GLU 123 N -0.22 0.00 -0.50 0.28 5.08 -1.35 -2.31 114.58 115.56 1cff h GLU 123 Ca 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1cff h GLU 123 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1cff h GLU 123 CO 0.00 0.33 0.25 1.98 -1.00 0.00 0.00 179.01 180.57 1cff h MET 124 N 0.00 0.48 0.00 2.33 4.05 -0.91 0.93 114.93 121.81 1cff h MET 124 Ca -0.00 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 1cff h MET 124 Cb 0.63 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1cff h MET 124 CO 0.04 0.32 -0.34 0.82 0.23 0.00 0.00 176.91 177.98 1cff h ILE 125 N 0.49 0.66 -0.16 1.77 1.08 -1.25 -1.85 117.51 118.25 1cff h ILE 125 Ca 0.22 -1.64 -0.05 0.00 -0.39 0.00 0.00 64.86 63.00 1cff h ILE 125 Cb 0.13 2.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1cff h ILE 125 CO -0.15 0.33 -0.09 0.03 -0.69 0.00 0.00 178.15 177.58 1cff h ARG 126 N 0.00 0.35 0.00 2.37 3.08 -0.67 1.10 114.38 120.61 1cff h ARG 126 Ca -0.00 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1cff h ARG 126 Cb 1.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1cff h ARG 126 CO 0.04 0.67 -0.50 0.93 -1.07 0.00 0.00 179.97 180.05 1cff h GLU 127 N 0.02 0.00 0.11 0.04 4.39 -0.87 -3.04 114.58 115.22 1cff h GLU 127 Ca 0.03 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.46 1cff h GLU 127 Cb 0.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1cff h GLU 127 CO 0.03 0.50 -1.20 0.00 -1.16 0.00 0.00 179.01 177.18 1cff h ALA 128 N 1.50 0.11 -0.98 3.43 0.00 -1.13 -3.43 119.26 118.75 1cff h ALA 128 Ca -0.01 -0.82 -0.45 0.00 0.00 0.00 0.00 54.91 53.64 1cff h ALA 128 Cb 1.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1cff h ALA 128 CO 0.07 0.84 1.61 -3.47 0.00 0.00 0.00 179.25 178.30 1cff n ASP 129 N -3.66 1.53 0.00 0.00 -0.08 0.38 -4.86 116.55 109.86 1cff n ASP 129 Ca -0.10 -0.34 0.00 0.00 -1.51 0.00 0.00 54.79 52.84 1cff n ASP 129 Cb 0.98 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 43.09 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 7.82 0.00 -0.26 5.18 -0.00 -1.26 -2.68 119.36 128.15 1cff n ILE 130 Ca 0.48 0.71 0.07 0.00 -0.00 0.00 0.00 62.75 64.01 1cff n ILE 130 Cb 0.36 -1.37 0.20 0.00 -0.00 0.00 0.00 39.64 38.84 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 -3.52 4.38 3.04 -1.96 -3.47 116.42 115.03 1cff h ASP 131 Ca 0.00 0.14 -0.07 0.00 -3.24 0.00 0.00 57.03 53.86 1cff h ASP 131 Cb 0.00 0.16 0.05 0.00 -1.04 0.00 0.00 39.33 38.50 1cff h ASP 131 CO 0.00 0.01 -0.22 0.61 -2.04 0.00 0.00 179.24 177.60 1cff n GLY 132 N -1.34 0.36 0.06 7.15 0.00 -1.09 -4.97 105.19 105.36 1cff n GLY 132 Ca 0.15 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.88 0.68 0.00 1.61 9.92 -1.26 -4.90 116.55 120.72 1cff n ASP 133 Ca -0.03 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1cff n ASP 133 Cb 0.53 0.17 0.00 0.00 -0.64 0.00 0.00 41.12 41.18 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 1.35 0.37 3.53 0.44 0.00 -1.26 -5.11 105.19 104.51 1cff n GLY 134 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 0.99 -0.39 1.61 0.74 -1.26 -4.91 119.66 116.44 1cff s GLN 135 Ca 0.00 0.28 -0.22 0.00 0.05 0.00 0.00 55.36 55.47 1cff s GLN 135 Cb 0.00 0.47 0.01 0.00 1.10 0.00 0.00 33.01 34.59 1cff s GLN 135 CO 0.00 -0.30 0.75 0.54 -0.55 0.00 0.00 175.29 175.72 1cff s VAL 136 N -1.10 4.74 0.10 1.34 0.11 -1.22 -4.82 120.40 119.56 1cff s VAL 136 Ca -0.09 0.64 -0.17 0.00 -2.93 0.00 0.00 61.98 59.43 1cff s VAL 136 Cb -0.00 -4.22 -0.07 0.00 -1.53 0.00 0.00 36.38 30.56 1cff s VAL 136 CO 0.09 -0.50 0.56 0.21 -3.33 0.00 0.00 175.10 172.12 1cff s ASN 137 N 1.93 6.95 0.34 3.54 2.47 -1.26 0.28 114.94 129.19 1cff s ASN 137 Ca 0.29 1.18 0.13 0.00 0.42 0.00 0.00 52.86 54.88 1cff s ASN 137 Cb -0.13 -2.33 1.07 0.00 -1.45 0.00 0.00 41.25 38.41 1cff s ASN 137 CO 0.18 0.20 1.63 0.22 -3.72 0.00 0.00 177.10 175.62 1cff h TYR 138 N 4.12 0.74 -1.20 0.43 3.20 -1.97 0.62 116.97 122.91 1cff h TYR 138 Ca -0.49 0.04 0.34 0.00 3.14 0.00 0.00 58.73 61.76 1cff h TYR 138 Cb 1.21 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 1cff h TYR 138 CO 0.67 -0.28 0.84 1.05 -1.64 0.00 0.00 178.16 178.80 1cff h GLU 139 N 0.20 0.10 0.09 1.82 4.11 -1.94 1.39 114.58 120.35 1cff h GLU 139 Ca 0.72 -0.01 -0.30 0.00 0.07 0.00 0.00 59.36 59.85 1cff h GLU 139 Cb 1.69 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1cff h GLU 139 CO -0.68 0.07 -1.52 0.93 0.07 0.00 0.00 179.01 177.88 1cff h GLU 140 N 0.11 0.19 -0.62 1.06 5.08 -0.16 -2.86 114.58 117.38 1cff h GLU 140 Ca 0.61 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1cff h GLU 140 Cb 2.18 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 31.51 1cff h GLU 140 CO -0.11 1.02 0.39 0.35 -1.00 0.00 0.00 179.01 179.66 1cff h PHE 141 N 0.05 0.74 0.11 4.33 3.57 0.20 -1.46 116.94 124.49 1cff h PHE 141 Ca -0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 1cff h PHE 141 Cb 1.99 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.49 1cff h PHE 141 CO 0.05 0.44 -0.05 -0.39 -2.23 0.00 0.00 178.31 176.12 1cff h VAL 142 N 0.78 0.86 -0.66 1.41 -1.51 -0.49 -1.89 116.25 114.75 1cff h VAL 142 Ca 0.24 -1.31 0.19 0.00 -1.23 0.00 0.00 66.70 64.59 1cff h VAL 142 Cb -0.02 1.51 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 1cff h VAL 142 CO -0.09 0.25 0.55 0.06 -1.23 0.00 0.00 177.57 177.11 1cff h GLN 143 N -0.91 0.00 0.14 5.19 -0.00 -1.52 1.27 115.11 119.28 1cff h GLN 143 Ca -0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.42 1cff h GLN 143 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.02 1cff h GLN 143 CO 0.03 0.00 -0.99 0.52 -0.00 0.00 0.00 178.83 178.38 1cff h MET 144 N 0.00 0.30 0.00 0.06 2.86 -1.29 -3.28 114.93 113.58 1cff h MET 144 Ca 0.31 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1cff h MET 144 Cb 1.40 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.25 1cff h MET 144 CO -0.00 1.24 -0.20 0.52 1.06 0.00 0.00 176.91 179.53 1cff h MET 145 N -0.34 0.00 0.17 1.72 2.86 -0.19 -3.43 114.93 115.72 1cff h MET 145 Ca -0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1cff h MET 145 Cb 1.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 1cff h MET 145 CO 0.13 0.00 -0.23 1.79 1.06 0.00 0.00 176.91 179.66 1cff h THR 146 N -0.42 0.00 -3.48 2.22 1.35 0.13 -3.41 112.91 109.30 1cff h THR 146 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.34 1cff h THR 146 Cb 0.20 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.63 1cff h THR 146 CO 0.00 0.00 0.54 0.00 -0.25 0.00 0.00 175.52 175.81 1cff s ALA 147 N -4.44 3.42 -2.00 6.62 0.00 -0.66 -4.99 121.76 119.70 1cff s ALA 147 Ca -0.08 0.91 0.29 0.00 0.00 0.00 0.00 51.96 53.08 1cff s ALA 147 Cb 0.02 -3.40 1.74 0.00 0.00 0.00 0.00 23.12 21.48 1cff s ALA 147 CO 0.27 -0.34 2.07 1.63 0.00 0.00 0.00 175.76 179.40