#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 -1.72 -3.85 0.00 2.03 -1.26 -5.05 116.55 106.70 1cff n ASP 2 Ca 0.00 -0.05 -0.10 0.00 0.52 0.00 0.00 54.79 55.16 1cff n ASP 2 Cb 0.00 -1.20 -0.06 0.00 -0.72 0.00 0.00 41.12 39.15 1cff n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cff s GLN 3 N -4.10 1.18 0.31 -0.67 -2.07 -1.26 -5.14 119.66 107.91 1cff s GLN 3 Ca 0.64 -1.01 -0.28 0.00 -1.82 0.00 0.00 55.36 52.89 1cff s GLN 3 Cb -0.21 0.43 -0.13 0.00 -1.09 0.00 0.00 33.01 32.00 1cff s GLN 3 CO 0.65 -0.45 1.17 -0.11 -1.32 0.00 0.00 175.29 175.22 1cff n LEU 4 N -0.24 2.67 -4.76 2.60 0.00 -1.26 -4.89 117.00 111.13 1cff n LEU 4 Ca -0.10 1.19 -0.41 0.00 0.00 0.00 0.00 56.01 56.69 1cff n LEU 4 Cb 0.63 -1.39 -0.02 0.00 0.00 0.00 0.00 43.42 42.64 1cff n LEU 4 CO 0.21 -0.92 1.03 0.42 0.00 0.00 0.00 177.39 178.13 1cff s THR 5 N -0.98 2.69 -0.66 1.96 -4.23 -1.26 -4.92 115.64 108.25 1cff s THR 5 Ca 0.58 0.65 0.23 0.00 -1.18 0.00 0.00 61.69 61.97 1cff s THR 5 Cb -0.64 -3.41 -0.07 0.00 1.34 0.00 0.00 72.50 69.71 1cff s THR 5 CO 0.60 0.14 1.12 1.21 -0.54 0.00 0.00 174.62 177.15 1cff n GLU 6 N 1.37 0.26 0.07 3.99 2.13 -1.26 -3.83 120.64 123.37 1cff n GLU 6 Ca 0.03 0.02 -0.03 0.00 0.66 0.00 0.00 57.16 57.83 1cff n GLU 6 Cb 0.41 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.50 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1cff h GLU 7 N 0.00 -0.20 0.28 5.31 4.22 -1.98 -2.21 114.58 119.99 1cff h GLU 7 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1cff h GLU 7 Cb 0.71 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1cff h GLU 7 CO 0.00 -0.13 -0.13 1.96 -2.18 0.00 0.00 179.01 178.52 1cff h GLN 8 N -0.46 -0.36 -0.61 1.92 4.20 -2.01 -2.94 115.11 114.85 1cff h GLN 8 Ca -0.02 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.84 1cff h GLN 8 Cb 0.16 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 27.93 1cff h GLN 8 CO 0.03 -0.13 0.06 0.97 -0.67 0.00 0.00 178.83 179.10 1cff h ILE 9 N -0.53 0.56 -1.03 2.54 2.10 -1.75 0.33 117.51 119.74 1cff h ILE 9 Ca -0.04 -0.06 0.32 0.00 1.08 0.00 0.00 64.86 66.16 1cff h ILE 9 Cb 0.39 0.36 -0.14 0.00 -1.09 0.00 0.00 36.82 36.34 1cff h ILE 9 CO 0.06 0.03 0.60 0.00 -1.08 0.00 0.00 178.15 177.77 1cff h ALA 10 N 1.52 2.01 -0.41 0.18 0.00 -1.22 1.42 119.26 122.75 1cff h ALA 10 Ca 0.32 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.45 1cff h ALA 10 Cb 0.51 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1cff h ALA 10 CO -0.47 -0.59 0.15 0.93 0.00 0.00 0.00 179.25 179.27 1cff h GLU 11 N 0.35 0.30 -0.31 0.00 4.39 -0.21 1.73 114.58 120.83 1cff h GLU 11 Ca 0.72 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.42 1cff h GLU 11 Cb 1.66 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.23 1cff h GLU 11 CO -0.55 0.20 0.21 0.35 -1.16 0.00 0.00 179.01 178.06 1cff h PHE 12 N 0.31 0.35 -0.31 4.33 3.57 0.19 0.61 116.94 125.99 1cff h PHE 12 Ca 0.19 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.55 1cff h PHE 12 Cb 0.18 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1cff h PHE 12 CO -0.15 0.21 -0.39 -0.22 -2.23 0.00 0.00 178.31 175.53 1cff h LYS 13 N 0.37 0.75 -0.80 1.11 3.11 0.31 -1.14 116.57 120.28 1cff h LYS 13 Ca 0.12 -0.39 0.17 0.00 -2.81 0.00 0.00 60.65 57.74 1cff h LYS 13 Cb 0.04 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.22 1cff h LYS 13 CO -0.03 1.01 0.54 0.93 -2.81 0.00 0.00 179.45 179.09 1cff h GLU 14 N 0.61 0.39 0.17 1.90 5.08 0.46 0.99 114.58 124.18 1cff h GLU 14 Ca 0.05 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.15 1cff h GLU 14 Cb 0.94 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.13 1cff h GLU 14 CO 0.09 0.26 -1.08 0.00 -1.00 0.00 0.00 179.01 177.28 1cff h ALA 15 N 1.63 -0.07 0.00 3.43 0.00 -1.26 -2.78 119.26 120.21 1cff h ALA 15 Ca 0.40 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1cff h ALA 15 Cb 0.96 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cff h ALA 15 CO -0.13 0.52 0.00 0.35 0.00 0.00 0.00 179.25 179.99 1cff h PHE 16 N -0.22 0.00 0.09 0.00 3.04 0.55 2.19 116.94 122.59 1cff h PHE 16 Ca -0.20 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.40 1cff h PHE 16 Cb 1.80 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.28 1cff h PHE 16 CO 0.17 0.00 -1.99 0.45 -2.02 0.00 0.00 178.31 174.92 1cff n SER 17 N -2.50 1.82 0.07 0.41 2.88 0.31 -3.79 113.62 112.82 1cff n SER 17 Ca -0.02 0.22 -0.14 0.00 -1.33 0.00 0.00 58.87 57.60 1cff n SER 17 Cb 0.06 -0.63 -0.14 0.00 -0.75 0.00 0.00 64.21 62.75 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 0.31 -2.40 2.46 4.07 -0.99 -3.19 115.31 115.62 1cff h LEU 18 Ca -0.41 -0.37 0.03 0.00 0.08 0.00 0.00 57.88 57.20 1cff h LEU 18 Cb 2.03 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 43.66 1cff h LEU 18 CO 0.07 1.30 0.16 0.15 -1.08 0.00 0.00 178.44 179.04 1cff h PHE 19 N 0.05 0.00 0.00 1.13 3.57 0.34 0.46 116.94 122.49 1cff h PHE 19 Ca -0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1cff h PHE 19 Cb 1.96 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.70 1cff h PHE 19 CO 0.05 0.00 0.00 0.22 -2.23 0.00 0.00 178.31 176.35 1cff h ASP 20 N 0.00 0.00 -6.82 0.41 1.82 -1.64 -3.45 116.42 106.74 1cff h ASP 20 Ca 0.04 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.12 1cff h ASP 20 Cb 0.35 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 40.19 1cff h ASP 20 CO -0.00 0.00 -0.91 2.29 -1.61 0.00 0.00 179.24 179.01 1cff n LYS 21 N -2.42 -2.23 0.00 0.28 2.85 0.16 -4.55 118.16 112.25 1cff n LYS 21 Ca 0.05 0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 1cff n LYS 21 Cb 0.41 -4.36 0.00 0.00 -0.65 0.00 0.00 35.03 30.43 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1cff n ASP 22 N -2.83 0.00 -0.45 -5.58 5.68 -1.26 -5.05 116.55 107.06 1cff n ASP 22 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1cff n ASP 22 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.82 0.58 0.08 6.12 0.00 -1.26 -5.02 105.19 104.87 1cff n GLY 23 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.24 2.39 0.00 1.61 2.03 -1.26 -5.02 116.55 116.06 1cff n ASP 24 Ca 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1cff n ASP 24 Cb 0.25 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 2.53 0.31 2.98 0.27 0.00 -1.26 -5.06 105.19 104.95 1cff n GLY 25 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 0.97 -0.53 2.61 -4.23 -1.26 -4.48 115.64 106.72 1cff s THR 26 Ca 0.00 -0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 59.92 1cff s THR 26 Cb 0.00 -0.92 0.05 0.00 1.34 0.00 0.00 72.50 72.97 1cff s THR 26 CO 0.00 0.32 0.81 -0.63 -0.54 0.00 0.00 174.62 174.58 1cff s ILE 27 N 0.85 4.60 0.30 2.99 -1.09 -0.91 -4.86 121.20 123.08 1cff s ILE 27 Ca -0.11 -0.07 0.10 0.00 -2.23 0.00 0.00 60.65 58.33 1cff s ILE 27 Cb -0.15 -4.44 -0.05 0.00 -1.58 0.00 0.00 42.46 36.24 1cff s ILE 27 CO 0.01 -0.99 -0.03 -0.89 -1.23 0.00 0.00 174.94 171.81 1cff s THR 28 N 3.38 2.89 0.59 2.92 2.01 -1.26 -2.20 115.64 123.97 1cff s THR 28 Ca 0.24 -2.03 0.29 0.00 0.31 0.00 0.00 61.69 60.49 1cff s THR 28 Cb -0.16 -2.72 0.38 0.00 0.01 0.00 0.00 72.50 70.02 1cff s THR 28 CO 0.16 -0.30 1.84 0.71 -0.69 0.00 0.00 174.62 176.33 1cff h THR 29 N 1.92 0.32 0.14 -0.82 1.35 -1.95 0.10 112.91 113.96 1cff h THR 29 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1cff h THR 29 Cb 1.25 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1cff h THR 29 CO 0.63 0.00 -0.24 0.50 -0.25 0.00 0.00 175.52 176.16 1cff h LYS 30 N 0.00 -0.39 0.10 4.72 1.63 -1.97 1.14 116.57 121.79 1cff h LYS 30 Ca 0.24 0.03 -0.22 0.00 -0.85 0.00 0.00 60.65 59.85 1cff h LYS 30 Cb 1.36 0.09 0.02 0.00 -0.60 0.00 0.00 32.23 33.10 1cff h LYS 30 CO -0.00 -0.26 -0.91 0.93 -3.45 0.00 0.00 179.45 175.76 1cff h GLU 31 N -0.41 0.45 -0.87 1.90 3.07 -1.70 -2.56 114.58 114.47 1cff h GLU 31 Ca -0.01 -0.61 0.06 0.00 -0.50 0.00 0.00 59.36 58.29 1cff h GLU 31 Cb 0.38 0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.44 1cff h GLU 31 CO -0.09 1.25 0.57 1.25 -1.40 0.00 0.00 179.01 180.59 1cff h LEU 32 N -0.07 0.88 -0.29 1.33 7.12 -0.86 -1.85 115.31 121.57 1cff h LEU 32 Ca -0.14 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.67 1cff h LEU 32 Cb 1.65 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.59 1cff h LEU 32 CO 0.17 0.57 -0.79 1.23 -0.13 0.00 0.00 178.44 179.50 1cff h GLY 33 N 1.00 0.59 0.70 3.75 0.00 0.13 -1.87 103.07 107.36 1cff h GLY 33 Ca 0.37 -0.86 0.13 0.00 0.00 0.00 0.00 47.33 46.97 1cff h GLY 33 CO -0.13 0.77 0.52 -0.84 0.00 0.00 0.00 176.54 176.85 1cff h THR 34 N 0.35 0.84 0.15 4.70 2.02 -0.90 0.12 112.91 120.18 1cff h THR 34 Ca -0.05 -0.19 -0.26 0.00 0.77 0.00 0.00 66.41 66.68 1cff h THR 34 Cb 1.39 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1cff h THR 34 CO 0.14 0.10 -1.26 0.58 0.37 0.00 0.00 175.52 175.45 1cff h VAL 35 N 0.54 1.21 0.00 3.16 2.07 -1.43 -2.59 116.25 119.21 1cff h VAL 35 Ca 0.38 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1cff h VAL 35 Cb 0.72 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1cff h VAL 35 CO -0.14 0.73 0.00 0.23 0.02 0.00 0.00 177.57 178.41 1cff n MET 36 N -3.94 0.13 -0.13 1.57 2.81 -0.71 0.11 117.12 116.96 1cff n MET 36 Ca -0.20 0.55 -0.21 0.00 -1.81 0.00 0.00 57.70 56.03 1cff n MET 36 Cb 0.91 -1.87 -0.11 0.00 -0.71 0.00 0.00 33.22 31.44 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 -2.14 0.63 0.06 0.03 0.63 0.34 0.92 116.66 117.13 1cff n ARG 37 Ca -0.00 0.18 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 1cff n ARG 37 Cb 0.09 -1.50 0.20 0.00 0.45 0.00 0.00 32.46 31.70 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1cff n SER 38 N -3.51 0.70 0.08 6.15 7.64 -0.97 -3.62 113.62 120.08 1cff n SER 38 Ca -0.48 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1cff n SER 38 Cb 0.96 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cff n LEU 39 N -2.11 0.48 0.34 -3.43 4.32 0.30 -4.75 117.00 112.15 1cff n LEU 39 Ca 0.04 0.26 0.21 0.00 -0.02 0.00 0.00 56.01 56.50 1cff n LEU 39 Cb 0.43 -0.00 1.13 0.00 -1.62 0.00 0.00 43.42 43.36 1cff n LEU 39 CO 0.36 -0.74 1.17 1.23 -1.22 0.00 0.00 177.39 178.19 1cff h GLY 40 N 0.00 0.00 -4.89 -0.72 0.00 -0.60 -3.45 103.07 93.41 1cff h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cff h GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1cff n GLN 41 N -3.03 -0.40 0.05 4.80 1.13 0.26 -4.16 117.38 116.03 1cff n GLN 41 Ca -0.03 -0.20 0.00 0.00 -1.94 0.00 0.00 57.00 54.83 1cff n GLN 41 Cb 0.14 0.36 0.00 0.00 0.11 0.00 0.00 30.24 30.85 1cff n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1cff n ASN 42 N 0.56 -0.94 -2.70 1.08 4.05 -1.18 -5.03 115.26 111.10 1cff n ASN 42 Ca 0.00 0.59 -0.33 0.00 0.45 0.00 0.00 54.58 55.29 1cff n ASN 42 Cb 0.00 1.26 -0.04 0.00 1.23 0.00 0.00 39.78 42.24 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1cff n PRO 43 N -3.10 0.00 -2.06 1.20 -0.02 -1.26 -4.90 135.00 124.86 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 -0.79 -0.00 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.24 4.35 0.46 3.45 -4.23 -1.26 -4.88 115.64 113.30 1cff s THR 44 Ca 0.49 0.97 0.22 0.00 -1.18 0.00 0.00 61.69 62.19 1cff s THR 44 Cb -0.69 -3.64 0.41 0.00 1.34 0.00 0.00 72.50 69.92 1cff s THR 44 CO 0.34 -0.80 1.88 -0.08 -0.54 0.00 0.00 174.62 175.43 1cff h GLU 45 N 0.24 0.24 0.00 3.99 4.81 -2.02 0.34 114.58 122.18 1cff h GLU 45 Ca -0.46 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 1cff h GLU 45 Cb 1.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1cff h GLU 45 CO 0.60 0.16 -1.07 0.00 -0.73 0.00 0.00 179.01 177.97 1cff h ALA 46 N 1.61 0.61 0.62 2.92 0.00 -1.99 -3.35 119.26 119.67 1cff h ALA 46 Ca 0.43 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1cff h ALA 46 Cb 1.28 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1cff h ALA 46 CO -0.11 0.44 -0.30 1.49 0.00 0.00 0.00 179.25 180.78 1cff h GLU 47 N 0.00 -0.80 -0.89 0.00 4.57 -0.67 0.41 114.58 117.19 1cff h GLU 47 Ca -0.07 0.05 0.26 0.00 -1.18 0.00 0.00 59.36 58.42 1cff h GLU 47 Cb 1.28 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 30.02 1cff h GLU 47 CO 0.03 -0.53 0.64 1.37 -1.18 0.00 0.00 179.01 179.34 1cff h LEU 48 N -0.88 0.01 -0.45 1.64 -0.00 -1.69 1.90 115.31 115.85 1cff h LEU 48 Ca -0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.62 1cff h LEU 48 Cb 0.63 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1cff h LEU 48 CO 0.14 0.00 -0.65 -0.61 -0.00 0.00 0.00 178.44 177.32 1cff h GLN 49 N 0.01 0.49 -0.12 0.17 4.15 -1.60 0.32 115.11 118.54 1cff h GLN 49 Ca 0.43 -0.36 -0.21 0.00 0.77 0.00 0.00 58.65 59.28 1cff h GLN 49 Cb 1.70 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.45 1cff h GLN 49 CO -0.01 0.98 -0.76 0.22 -1.93 0.00 0.00 178.83 177.33 1cff h ASP 50 N 0.35 0.74 0.35 -0.69 1.82 0.67 0.23 116.42 119.89 1cff h ASP 50 Ca -0.02 -0.49 -0.05 0.00 -0.39 0.00 0.00 57.03 56.09 1cff h ASP 50 Cb 1.21 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1cff h ASP 50 CO 0.12 1.26 -0.24 -0.03 -1.61 0.00 0.00 179.24 178.74 1cff h MET 51 N 0.42 0.00 0.09 0.28 4.05 0.23 0.88 114.93 120.88 1cff h MET 51 Ca -0.04 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.13 1cff h MET 51 Cb 1.37 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.16 1cff h MET 51 CO 0.15 0.24 -1.27 0.82 0.23 0.00 0.00 176.91 177.08 1cff h ILE 52 N 0.00 1.07 0.00 1.77 1.08 -0.72 -3.35 117.51 117.37 1cff h ILE 52 Ca -0.00 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.11 1cff h ILE 52 Cb 0.47 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.92 1cff h ILE 52 CO 0.03 0.63 0.00 0.59 -0.69 0.00 0.00 178.15 178.71 1cff n ASN 53 N -4.06 0.58 0.06 1.72 4.13 0.78 -3.42 115.26 115.05 1cff n ASN 53 Ca -0.25 0.56 -0.04 0.00 1.68 0.00 0.00 54.58 56.54 1cff n ASN 53 Cb 0.83 -0.72 0.19 0.00 -1.54 0.00 0.00 39.78 38.54 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1cff h GLU 54 N 0.00 0.35 -0.74 3.52 5.08 0.66 -2.83 114.58 120.62 1cff h GLU 54 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1cff h GLU 54 Cb 0.63 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1cff h GLU 54 CO 0.00 0.70 0.00 1.33 -1.00 0.00 0.00 179.01 180.04 1cff n VAL 55 N -4.03 1.04 -0.55 3.13 0.24 -1.22 -4.76 118.33 112.18 1cff n VAL 55 Ca -0.01 -1.01 -0.16 0.00 -2.04 0.00 0.00 64.34 61.11 1cff n VAL 55 Cb 0.49 0.48 -0.01 0.00 -1.47 0.00 0.00 33.84 33.33 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 1.65 3.71 -0.01 -1.34 9.92 -1.07 -4.48 116.55 124.92 1cff n ASP 56 Ca 0.25 -2.24 0.08 0.00 -0.53 0.00 0.00 54.79 52.36 1cff n ASP 56 Cb 0.64 -0.94 0.49 0.00 -0.64 0.00 0.00 41.12 40.66 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 6.68 1.89 0.00 2.24 0.00 -1.88 -1.19 119.26 127.00 1cff h ALA 57 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1cff h ALA 57 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cff h ALA 57 CO 1.31 0.04 -1.82 -0.40 0.00 0.00 0.00 179.25 178.39 1cff n ASP 58 N -4.48 0.59 -3.69 0.00 5.68 -1.26 -5.03 116.55 108.36 1cff n ASP 58 Ca 0.06 -0.07 -0.26 0.00 -0.50 0.00 0.00 54.79 54.02 1cff n ASP 58 Cb 0.21 1.82 0.01 0.00 -1.14 0.00 0.00 41.12 42.02 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 1.40 -0.91 0.10 6.12 0.00 -0.45 -4.88 105.19 106.58 1cff n GLY 59 Ca -0.03 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.80 0.22 0.00 1.61 6.94 -1.26 -4.99 115.26 115.98 1cff n ASN 60 Ca -0.20 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.37 1cff n ASN 60 Cb 0.51 0.83 0.00 0.00 -2.36 0.00 0.00 39.78 38.76 1cff n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cff n GLY 61 N 1.79 0.47 2.26 4.83 0.00 -1.26 -5.16 105.19 108.13 1cff n GLY 61 Ca -0.33 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 1cff n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cff n THR 62 N 0.00 0.00 -2.76 2.61 -2.24 -1.26 -5.05 114.28 105.59 1cff n THR 62 Ca 0.00 -0.74 -0.40 0.00 -2.27 0.00 0.00 64.05 60.64 1cff n THR 62 Cb 0.00 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.51 4.09 0.02 2.28 -1.09 -0.94 -4.90 121.20 118.15 1cff s ILE 63 Ca 0.12 2.06 -0.04 0.00 -2.23 0.00 0.00 60.65 60.56 1cff s ILE 63 Cb -0.02 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1cff s ILE 63 CO 0.09 0.47 0.06 1.51 -1.23 0.00 0.00 174.94 175.84 1cff s ASP 64 N -1.21 0.17 0.21 3.58 1.47 -1.26 -2.14 116.67 117.49 1cff s ASP 64 Ca 0.42 -0.45 -0.16 0.00 1.18 0.00 0.00 52.55 53.54 1cff s ASP 64 Cb -0.25 0.18 0.23 0.00 -0.34 0.00 0.00 42.92 42.73 1cff s ASP 64 CO 0.31 -0.40 1.42 0.33 0.68 0.00 0.00 175.17 177.51 1cff n PHE 65 N 1.22 0.04 0.28 2.11 7.35 -1.26 -0.85 117.46 126.35 1cff n PHE 65 Ca -0.22 1.13 -0.16 0.00 -0.76 0.00 0.00 57.45 57.44 1cff n PHE 65 Cb 0.57 -0.85 -0.08 0.00 0.35 0.00 0.00 39.48 39.46 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 -0.86 -0.27 -7.13 0.13 -1.97 0.61 132.00 122.50 1cff h PRO 66 Ca 0.32 0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.54 1cff h PRO 66 Cb 0.55 0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 1cff h PRO 66 CO -0.91 -0.58 0.08 1.05 -0.23 0.00 0.00 178.00 177.42 1cff h GLU 67 N -0.90 0.20 0.00 0.86 4.11 -1.76 -0.13 114.58 116.97 1cff h GLU 67 Ca -0.06 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 1cff h GLU 67 Cb 0.76 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1cff h GLU 67 CO -0.02 0.13 -0.14 0.35 0.07 0.00 0.00 179.01 179.41 1cff h PHE 68 N 0.20 0.00 0.25 2.06 3.04 -0.96 -1.91 116.94 119.62 1cff h PHE 68 Ca 0.12 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1cff h PHE 68 Cb 0.10 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.61 1cff h PHE 68 CO -0.14 0.14 -0.12 1.25 -2.02 0.00 0.00 178.31 177.42 1cff h LEU 69 N 0.00 -0.29 -0.94 0.59 5.85 0.16 -2.46 115.31 118.22 1cff h LEU 69 Ca -0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1cff h LEU 69 Cb 0.43 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 1cff h LEU 69 CO 0.02 0.02 0.60 0.71 -0.34 0.00 0.00 178.44 179.45 1cff h THR 70 N -0.79 1.05 0.42 1.05 1.35 -1.09 -2.05 112.91 112.84 1cff h THR 70 Ca -0.03 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 1cff h THR 70 Cb 0.26 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 1cff h THR 70 CO 0.06 0.20 -0.20 0.24 -0.25 0.00 0.00 175.52 175.56 1cff h MET 71 N 1.07 -0.55 0.33 4.72 2.86 -1.47 1.16 114.93 123.05 1cff h MET 71 Ca 0.41 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.09 1cff h MET 71 Cb 0.20 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1cff h MET 71 CO -0.18 -0.31 -0.44 0.52 1.06 0.00 0.00 176.91 177.55 1cff h MET 72 N -0.66 -0.76 0.06 1.72 2.07 -1.19 -3.36 114.93 112.80 1cff h MET 72 Ca -0.06 0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1cff h MET 72 Cb 0.49 0.17 0.00 0.00 -1.87 0.00 0.00 31.60 30.39 1cff h MET 72 CO 0.10 -0.51 -0.03 0.00 1.07 0.00 0.00 176.91 177.54 1cff h ALA 73 N -0.93 -0.15 -1.92 6.32 0.00 -1.44 -3.47 119.26 117.67 1cff h ALA 73 Ca -0.04 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 54.43 1cff h ALA 73 Cb 0.71 0.03 0.19 0.00 0.00 0.00 0.00 17.79 18.72 1cff h ALA 73 CO -0.11 -0.14 0.28 0.50 0.00 0.00 0.00 179.25 179.78 1cff s ARG 74 N -1.66 -0.53 0.25 0.00 3.52 0.40 -5.06 118.95 115.87 1cff s ARG 74 Ca -0.01 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 1cff s ARG 74 Cb 0.00 -1.70 -0.00 0.00 -1.56 0.00 0.00 34.95 31.68 1cff s ARG 74 CO 0.04 -3.20 0.02 1.63 -0.81 0.00 0.00 175.30 172.97 1cff n LYS 75 N -4.34 1.18 -0.83 5.12 4.01 -1.22 -4.09 118.16 117.98 1cff n LYS 75 Ca 0.16 -1.92 0.01 0.00 -0.51 0.00 0.00 58.31 56.05 1cff n LYS 75 Cb 0.59 0.66 0.32 0.00 -0.51 0.00 0.00 35.03 36.09 1cff n LYS 75 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cff n MET 76 N -0.62 3.72 0.32 1.97 0.00 -1.26 -4.61 117.12 116.64 1cff n MET 76 Ca -0.09 -3.06 -0.16 0.00 0.00 0.00 0.00 57.70 54.39 1cff n MET 76 Cb 0.34 -2.11 -0.08 0.00 0.00 0.00 0.00 33.22 31.36 1cff n MET 76 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1cff h LYS 77 N 2.70 -0.78 -2.02 3.17 1.63 -2.01 -3.42 116.57 115.84 1cff h LYS 77 Ca 0.12 0.05 -0.39 0.00 -0.85 0.00 0.00 60.65 59.59 1cff h LYS 77 Cb 1.98 0.18 -0.32 0.00 -0.60 0.00 0.00 32.23 33.46 1cff h LYS 77 CO 0.52 -0.47 -0.70 -0.51 -3.45 0.00 0.00 179.45 174.84 1cff s ASP 78 N -4.59 1.36 -0.40 4.20 1.01 -1.26 -4.98 116.67 112.00 1cff s ASP 78 Ca -0.16 -1.62 0.09 0.00 0.71 0.00 0.00 52.55 51.57 1cff s ASP 78 Cb 0.02 0.46 0.39 0.00 1.01 0.00 0.00 42.92 44.80 1cff s ASP 78 CO 0.53 -0.27 1.33 0.35 0.21 0.00 0.00 175.17 177.32 1cff n THR 79 N 4.25 0.03 -3.71 -1.27 -2.24 -1.26 -5.07 114.28 105.01 1cff n THR 79 Ca 0.11 -1.55 -0.24 0.00 -2.27 0.00 0.00 64.05 60.09 1cff n THR 79 Cb 0.44 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.26 1.96 -0.06 3.42 2.15 -1.26 -5.03 116.67 116.59 1cff s ASP 80 Ca 0.22 -0.34 -0.22 0.00 0.43 0.00 0.00 52.55 52.64 1cff s ASP 80 Cb 0.39 -0.37 -0.17 0.00 -0.30 0.00 0.00 42.92 42.47 1cff s ASP 80 CO -0.08 -0.27 0.92 -1.28 -0.17 0.00 0.00 175.17 174.29 1cff h SER 81 N 8.35 -0.13 -0.45 -0.34 0.87 -1.99 -3.39 113.55 116.47 1cff h SER 81 Ca -0.16 -0.43 -0.25 0.00 -1.23 0.00 0.00 61.79 59.72 1cff h SER 81 Cb 1.13 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 1cff h SER 81 CO 0.26 0.45 0.76 -0.70 -0.53 0.00 0.00 176.83 177.07 1cff s GLU 82 N -3.42 2.22 -0.12 2.24 2.12 -1.26 -4.53 118.70 115.95 1cff s GLU 82 Ca -0.14 -0.75 -0.10 0.00 0.36 0.00 0.00 54.97 54.34 1cff s GLU 82 Cb 0.00 -5.13 -0.05 0.00 0.26 0.00 0.00 34.13 29.21 1cff s GLU 82 CO 0.52 -4.15 -0.22 0.39 -0.54 0.00 0.00 175.26 171.26 1cff n GLU 83 N 8.42 0.34 -0.11 4.30 -0.58 -1.26 -4.60 120.64 127.15 1cff n GLU 83 Ca 0.43 0.14 -0.14 0.00 -0.42 0.00 0.00 57.16 57.18 1cff n GLU 83 Cb 0.46 -1.09 -0.13 0.00 -0.57 0.00 0.00 31.44 30.12 1cff n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1cff n GLU 84 N -3.94 0.73 0.31 3.49 0.00 -1.26 -4.24 120.64 115.72 1cff n GLU 84 Ca -0.20 0.08 0.21 0.00 0.00 0.00 0.00 57.16 57.25 1cff n GLU 84 Cb 0.51 -1.48 1.11 0.00 0.00 0.00 0.00 31.44 31.58 1cff n GLU 84 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1cff h ILE 85 N 0.00 0.00 -0.94 6.31 1.08 -1.88 -2.12 117.51 119.97 1cff h ILE 85 Ca -0.53 -0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.21 1cff h ILE 85 Cb 1.96 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.58 1cff h ILE 85 CO -0.04 0.00 0.84 -0.09 -0.69 0.00 0.00 178.15 178.17 1cff h ARG 86 N 0.00 0.00 0.01 2.37 2.43 -1.81 1.82 114.38 119.20 1cff h ARG 86 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cff h ARG 86 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1cff h ARG 86 CO 0.00 0.00 -0.01 0.93 -1.51 0.00 0.00 179.97 179.38 1cff h GLU 87 N 0.00 -0.01 -0.08 0.20 3.07 -1.69 -2.38 114.58 113.69 1cff h GLU 87 Ca 0.45 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 1cff h GLU 87 Cb 2.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.02 1cff h GLU 87 CO -0.00 0.71 0.02 0.00 -1.40 0.00 0.00 179.01 178.33 1cff h ALA 88 N -0.22 1.90 -0.64 3.43 0.00 -0.75 0.44 119.26 123.41 1cff h ALA 88 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1cff h ALA 88 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1cff h ALA 88 CO 0.00 0.09 0.13 0.35 0.00 0.00 0.00 179.25 179.81 1cff h PHE 89 N 0.11 1.08 0.00 0.00 3.57 0.26 0.19 116.94 122.15 1cff h PHE 89 Ca 0.03 -0.13 -0.22 0.00 3.53 0.00 0.00 57.97 61.18 1cff h PHE 89 Cb 0.04 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1cff h PHE 89 CO 0.00 0.90 -1.09 0.00 -2.23 0.00 0.00 178.31 175.89 1cff h ARG 90 N 0.97 0.00 -0.06 1.11 2.47 -0.62 -1.81 114.38 116.44 1cff h ARG 90 Ca 0.20 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.85 1cff h ARG 90 Cb 0.39 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1cff h ARG 90 CO 0.01 0.86 -0.29 0.28 0.56 0.00 0.00 179.97 181.38 1cff h VAL 91 N 0.00 1.23 0.00 2.04 2.07 0.26 -2.95 116.25 118.90 1cff h VAL 91 Ca -0.06 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1cff h VAL 91 Cb 1.78 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1cff h VAL 91 CO 0.11 0.32 -1.47 0.33 0.02 0.00 0.00 177.57 176.89 1cff n PHE 92 N -4.16 0.11 0.59 1.57 -0.00 0.64 -4.26 117.46 111.95 1cff n PHE 92 Ca -0.02 0.03 0.11 0.00 -0.00 0.00 0.00 57.45 57.58 1cff n PHE 92 Cb 0.36 -0.38 0.44 0.00 -0.00 0.00 0.00 39.48 39.90 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1cff n ASP 93 N -2.02 0.34 0.00 -2.13 -0.08 -0.68 -4.68 116.55 107.29 1cff n ASP 93 Ca -0.00 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1cff n ASP 93 Cb 0.48 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.30 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 -1.85 0.00 0.22 -0.67 0.00 -1.24 -0.28 118.16 114.35 1cff n LYS 94 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.20 1cff n LYS 94 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.21 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 -0.43 0.00 3.14 3.04 -1.93 -3.48 116.42 116.76 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 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 1cff h ASP 95 CO 0.00 -0.29 0.00 0.61 -2.04 0.00 0.00 179.24 177.52 1cff n GLY 96 N -1.25 0.39 0.95 7.15 0.00 0.61 -5.10 105.19 107.95 1cff n GLY 96 Ca -0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 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 0.71 0.00 1.61 4.13 -1.26 -5.06 115.26 115.39 1cff n ASN 97 Ca 0.00 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1cff n ASN 97 Cb 0.00 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 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 1.45 3.78 7.41 0.00 -1.26 -5.12 105.19 114.55 1cff n GLY 98 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 3.19 -0.67 1.61 2.02 -1.26 -4.12 117.35 118.12 1cff s TYR 99 Ca 0.00 0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.76 1cff s TYR 99 Cb 0.00 -1.61 0.17 0.00 -0.40 0.00 0.00 41.96 40.11 1cff s TYR 99 CO 0.00 0.52 0.49 0.42 -1.57 0.00 0.00 175.55 175.41 1cff s ILE 100 N -1.42 3.65 0.01 2.71 1.01 -1.09 -4.91 121.20 121.17 1cff s ILE 100 Ca 0.29 -3.27 -0.22 0.00 0.00 0.00 0.00 60.65 57.46 1cff s ILE 100 Cb -0.12 -3.37 -0.12 0.00 0.01 0.00 0.00 42.46 38.86 1cff s ILE 100 CO 0.22 -0.92 1.03 -1.28 0.00 0.00 0.00 174.94 173.99 1cff h SER 101 N 6.66 -0.66 0.00 3.58 0.87 -1.94 -3.39 113.55 118.67 1cff h SER 101 Ca 0.02 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1cff h SER 101 Cb 0.91 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1cff h SER 101 CO 0.73 -0.35 0.00 0.00 -0.53 0.00 0.00 176.83 176.68 1cff n ALA 102 N -2.58 0.00 -0.19 6.23 0.00 -1.26 -4.81 120.51 117.91 1cff n ALA 102 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1cff n ALA 102 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.46 -0.05 0.00 0.00 -1.98 1.24 119.26 118.01 1cff h ALA 103 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1cff h ALA 103 Cb 0.00 1.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1cff h ALA 103 CO 0.00 -0.68 -0.46 0.93 0.00 0.00 0.00 179.25 179.03 1cff h GLU 104 N -0.11 -0.56 -1.01 0.00 5.08 -1.92 0.73 114.58 116.79 1cff h GLU 104 Ca 0.08 0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.71 1cff h GLU 104 Cb 0.31 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.57 1cff h GLU 104 CO -0.49 -0.37 0.62 -0.07 -1.00 0.00 0.00 179.01 177.69 1cff h LEU 105 N -0.58 0.64 0.34 1.33 3.38 -1.54 1.45 115.31 120.32 1cff h LEU 105 Ca 0.05 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1cff h LEU 105 Cb 0.67 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1cff h LEU 105 CO -0.37 0.14 -0.17 -0.09 0.09 0.00 0.00 178.44 178.05 1cff h ARG 106 N 0.57 -0.44 0.02 1.13 9.65 0.38 -1.84 114.38 123.85 1cff h ARG 106 Ca 0.62 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.48 1cff h ARG 106 Cb 1.23 0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.91 1cff h ARG 106 CO -0.41 -0.30 -0.22 1.25 2.80 0.00 0.00 179.97 183.10 1cff h HIS 107 N -0.50 0.17 -0.16 2.20 2.76 -0.84 -2.53 115.15 116.25 1cff h HIS 107 Ca -0.05 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1cff h HIS 107 Cb 0.35 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1cff h HIS 107 CO 0.13 1.00 0.09 0.28 -1.30 0.00 0.00 177.93 178.12 1cff h VAL 108 N -0.71 1.11 0.00 5.26 2.07 0.18 -1.65 116.25 122.51 1cff h VAL 108 Ca -0.03 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1cff h VAL 108 Cb 1.08 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1cff h VAL 108 CO 0.04 0.10 -0.22 -0.03 0.02 0.00 0.00 177.57 177.48 1cff h MET 109 N 0.15 0.00 0.00 1.57 -1.53 -1.11 -1.99 114.93 112.03 1cff h MET 109 Ca 0.06 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.19 1cff h MET 109 Cb 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.12 1cff h MET 109 CO -0.01 0.22 -0.63 0.00 0.14 0.00 0.00 176.91 176.64 1cff h THR 110 N 0.00 1.09 0.10 -0.77 1.03 -1.33 -2.64 112.91 110.38 1cff h THR 110 Ca -0.00 -2.52 -0.27 0.00 -0.01 0.00 0.00 66.41 63.61 1cff h THR 110 Cb 1.07 2.52 -0.01 0.00 -1.07 0.00 0.00 68.15 70.67 1cff h THR 110 CO 0.03 0.62 -1.31 0.78 -0.01 0.00 0.00 175.52 175.62 1cff h ASN 111 N 0.00 0.33 -0.03 0.00 4.21 -1.25 -3.22 115.58 115.62 1cff h ASN 111 Ca -0.01 -0.39 0.01 0.00 1.21 0.00 0.00 56.30 57.12 1cff h ASN 111 Cb 1.47 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 38.56 1cff h ASN 111 CO 0.08 1.32 0.15 0.25 -1.29 0.00 0.00 177.43 177.93 1cff h LEU 112 N 0.06 0.00 0.00 1.61 6.46 -1.37 -3.43 115.31 118.64 1cff h LEU 112 Ca -0.15 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1cff h LEU 112 Cb 1.96 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.89 1cff h LEU 112 CO 0.17 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.60 1cff n GLY 113 N -1.19 -0.19 3.56 3.75 0.00 -1.23 -5.10 105.19 104.79 1cff n GLY 113 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.65 -1.90 1.61 -0.58 -1.00 -5.04 120.64 114.39 1cff n GLU 114 Ca 0.00 -2.90 0.01 0.00 -0.42 0.00 0.00 57.16 53.85 1cff n GLU 114 Cb 0.00 -0.14 0.03 0.00 -0.57 0.00 0.00 31.44 30.76 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 -2.09 0.58 -1.54 3.49 3.00 -1.26 -4.19 118.16 116.15 1cff n LYS 115 Ca 0.13 -2.30 -0.24 0.00 -0.00 0.00 0.00 58.31 55.89 1cff n LYS 115 Cb 0.55 -0.40 -0.08 0.00 0.00 0.00 0.00 35.03 35.10 1cff n LYS 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1cff n LEU 116 N 0.02 1.43 -4.18 3.14 -0.00 -1.26 -4.91 117.00 111.24 1cff n LEU 116 Ca 0.02 -0.90 -0.32 0.00 -0.00 0.00 0.00 56.01 54.80 1cff n LEU 116 Cb 0.99 -1.43 0.14 0.00 -0.00 0.00 0.00 43.42 43.11 1cff n LEU 116 CO -0.02 -1.97 -0.86 0.35 -0.00 0.00 0.00 177.39 174.89 1cff n THR 117 N 8.01 0.00 0.29 1.47 -2.24 -1.26 -4.27 114.28 116.28 1cff n THR 117 Ca 0.48 -0.20 0.17 0.00 -2.27 0.00 0.00 64.05 62.23 1cff n THR 117 Cb 0.40 -0.45 0.87 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.90 0.00 0.20 3.42 1.82 -1.98 0.13 116.42 118.11 1cff h ASP 118 Ca -0.47 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.16 1cff h ASP 118 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1cff h ASP 118 CO 0.32 0.04 -0.10 -0.33 -1.61 0.00 0.00 179.24 177.56 1cff h GLU 119 N 0.00 -0.26 -0.34 0.28 5.08 -1.99 -2.82 114.58 114.53 1cff h GLU 119 Ca -0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1cff h GLU 119 Cb 0.30 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1cff h GLU 119 CO 0.01 -0.17 0.09 1.05 -1.00 0.00 0.00 179.01 178.99 1cff h GLU 120 N -0.92 0.53 -0.70 2.33 4.11 -1.87 -2.83 114.58 115.23 1cff h GLU 120 Ca -0.03 -0.12 0.07 0.00 0.07 0.00 0.00 59.36 59.35 1cff h GLU 120 Cb 0.21 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1cff h GLU 120 CO 0.05 0.58 0.39 -0.24 0.07 0.00 0.00 179.01 179.85 1cff h VAL 121 N 0.39 0.94 0.42 -1.06 3.04 -1.13 0.61 116.25 119.47 1cff h VAL 121 Ca 0.11 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 1cff h VAL 121 Cb 0.28 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1cff h VAL 121 CO -0.00 0.13 -0.26 -0.78 -1.01 0.00 0.00 177.57 175.64 1cff h ASP 122 N 0.69 -0.66 -0.46 3.17 3.58 -1.37 -1.68 116.42 119.69 1cff h ASP 122 Ca 0.32 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.75 1cff h ASP 122 Cb 0.23 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1cff h ASP 122 CO -0.20 -0.42 0.08 -0.33 -2.88 0.00 0.00 179.24 175.49 1cff h GLU 123 N -0.66 0.82 -0.86 0.28 5.08 -1.24 -1.07 114.58 116.92 1cff h GLU 123 Ca -0.05 -0.19 0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1cff h GLU 123 Cb 0.54 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1cff h GLU 123 CO 0.05 0.78 0.48 1.98 -1.00 0.00 0.00 179.01 181.29 1cff h MET 124 N 0.78 0.71 0.00 2.33 4.05 0.55 0.57 114.93 123.92 1cff h MET 124 Ca 0.16 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.50 1cff h MET 124 Cb 0.36 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1cff h MET 124 CO 0.01 0.47 -0.24 0.82 0.23 0.00 0.00 176.91 178.20 1cff h ILE 125 N 0.74 0.37 -0.01 1.77 1.08 -0.88 -2.07 117.51 118.50 1cff h ILE 125 Ca 0.45 -1.52 -0.03 0.00 -0.39 0.00 0.00 64.86 63.37 1cff h ILE 125 Cb 0.54 2.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 1cff h ILE 125 CO -0.31 0.21 -0.11 0.03 -0.69 0.00 0.00 178.15 177.28 1cff h ARG 126 N 0.00 0.10 -0.00 2.37 3.08 0.60 0.24 114.38 120.78 1cff h ARG 126 Ca -0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1cff h ARG 126 Cb 1.17 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1cff h ARG 126 CO 0.03 0.78 -0.42 0.93 -1.07 0.00 0.00 179.97 180.22 1cff h GLU 127 N -0.55 0.01 -0.14 0.04 5.08 -0.10 -2.70 114.58 116.21 1cff h GLU 127 Ca -0.01 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 1cff h GLU 127 Cb 0.81 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.07 1cff h GLU 127 CO 0.02 0.42 -0.76 0.00 -1.00 0.00 0.00 179.01 177.69 1cff h ALA 128 N 1.58 0.38 -0.53 3.43 0.00 -1.34 -3.42 119.26 119.36 1cff h ALA 128 Ca -0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 54.91 53.99 1cff h ALA 128 Cb 0.74 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1cff h ALA 128 CO 0.05 0.70 1.30 -3.47 0.00 0.00 0.00 179.25 177.84 1cff n ASP 129 N -3.91 0.86 0.00 0.00 2.03 0.86 -4.82 116.55 111.57 1cff n ASP 129 Ca -0.07 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.60 1cff n ASP 129 Cb 0.74 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1cff n ILE 130 N 7.55 0.00 -0.51 5.18 -0.00 -1.26 -3.81 119.36 126.51 1cff n ILE 130 Ca 0.53 0.49 0.42 0.00 -0.00 0.00 0.00 62.75 64.20 1cff n ILE 130 Cb 0.31 -1.05 0.74 0.00 -0.00 0.00 0.00 39.64 39.64 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 0.08 -4.06 4.38 3.04 -1.95 -3.45 116.42 114.47 1cff h ASP 131 Ca 0.00 0.04 -0.12 0.00 -3.24 0.00 0.00 57.03 53.71 1cff h ASP 131 Cb 0.00 0.03 0.09 0.00 -1.04 0.00 0.00 39.33 38.41 1cff h ASP 131 CO 0.00 -0.04 -0.38 0.61 -2.04 0.00 0.00 179.24 177.39 1cff n GLY 132 N -1.76 -0.01 0.09 7.15 0.00 -1.25 -4.97 105.19 104.45 1cff n GLY 132 Ca 0.36 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.25 0.72 0.00 1.61 8.00 -1.26 -4.93 116.55 118.44 1cff n ASP 133 Ca -0.04 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1cff n ASP 133 Cb 0.56 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 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 1.27 0.85 0.00 0.44 0.00 -1.26 -5.08 105.19 101.41 1cff n GLY 134 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1cff n GLY 134 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cff n GLN 135 N 0.00 0.00 -3.57 1.61 7.27 -1.26 -5.04 117.38 116.40 1cff n GLN 135 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 1cff n GLN 135 Cb 0.00 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.49 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1cff s VAL 136 N 1.51 -0.08 -0.18 1.69 1.01 -1.26 -4.60 120.40 118.48 1cff s VAL 136 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 1cff s VAL 136 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1cff s VAL 136 CO 0.00 -0.55 0.58 0.54 0.00 0.00 0.00 175.10 175.67 1cff s ASN 137 N 2.12 6.67 0.36 3.32 4.22 -1.26 -2.65 114.94 127.71 1cff s ASN 137 Ca 0.06 0.80 0.27 0.00 -2.14 0.00 0.00 52.86 51.85 1cff s ASN 137 Cb -0.16 -2.33 1.21 0.00 1.28 0.00 0.00 41.25 41.26 1cff s ASN 137 CO -0.26 -0.20 1.26 0.00 -2.04 0.00 0.00 177.10 175.87 1cff n TYR 138 N 4.70 0.55 -0.25 1.54 9.36 -1.26 0.15 117.16 131.95 1cff n TYR 138 Ca -0.03 0.55 0.21 0.00 3.32 0.00 0.00 57.90 61.95 1cff n TYR 138 Cb 0.50 -0.96 0.55 0.00 -0.63 0.00 0.00 39.34 38.80 1cff n TYR 138 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1cff h GLU 139 N 0.00 0.33 0.02 2.98 -0.00 -1.94 0.84 114.58 116.81 1cff h GLU 139 Ca 0.71 -0.02 -0.31 0.00 -0.00 0.00 0.00 59.36 59.74 1cff h GLU 139 Cb 2.32 -0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 30.96 1cff h GLU 139 CO -0.36 0.22 -1.80 -0.85 -0.00 0.00 0.00 179.01 176.22 1cff n GLU 140 N -4.49 0.66 -0.14 1.06 0.28 0.41 -2.14 120.64 116.28 1cff n GLU 140 Ca 0.20 0.28 0.01 0.00 -0.16 0.00 0.00 57.16 57.49 1cff n GLU 140 Cb 0.77 -1.77 0.29 0.00 1.43 0.00 0.00 31.44 32.16 1cff n GLU 140 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1cff h PHE 141 N 0.01 0.80 0.00 -1.84 3.04 -0.28 -0.98 116.94 117.70 1cff h PHE 141 Ca -0.32 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.61 1cff h PHE 141 Cb 2.03 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 40.27 1cff h PHE 141 CO 0.02 0.54 -0.09 0.28 -2.02 0.00 0.00 178.31 177.03 1cff h VAL 142 N 0.84 1.02 -1.55 1.41 2.07 0.43 -2.03 116.25 118.44 1cff h VAL 142 Ca 0.22 -1.79 0.45 0.00 0.82 0.00 0.00 66.70 66.40 1cff h VAL 142 Cb -0.03 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1cff h VAL 142 CO -0.04 0.35 1.11 1.56 0.02 0.00 0.00 177.57 180.57 1cff h GLN 143 N -1.00 0.00 0.09 1.57 4.20 -1.29 1.46 115.11 120.14 1cff h GLN 143 Ca -0.02 -0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.36 1cff h GLN 143 Cb 0.63 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1cff h GLN 143 CO -0.01 0.00 -1.82 0.52 -0.67 0.00 0.00 178.83 176.85 1cff h MET 144 N 0.00 0.20 0.00 1.46 2.86 -1.25 -3.36 114.93 114.84 1cff h MET 144 Ca 0.74 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1cff h MET 144 Cb 2.96 0.12 0.00 0.00 0.06 0.00 0.00 31.60 34.74 1cff h MET 144 CO -0.01 1.00 -0.39 -0.12 1.06 0.00 0.00 176.91 178.45 1cff n MET 145 N -3.36 0.32 -0.33 1.72 1.56 0.25 -4.44 117.12 112.84 1cff n MET 145 Ca -0.24 0.41 0.19 0.00 -0.27 0.00 0.00 57.70 57.79 1cff n MET 145 Cb 1.05 -1.37 0.37 0.00 2.15 0.00 0.00 33.22 35.42 1cff n MET 145 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1cff n THR 146 N -3.89 -0.41 -1.92 1.12 5.66 0.43 -3.90 114.28 111.37 1cff n THR 146 Ca -0.05 2.11 -0.34 0.00 -3.05 0.00 0.00 64.05 62.71 1cff n THR 146 Cb 0.20 -3.17 -0.04 0.00 -1.55 0.00 0.00 70.33 65.77 1cff n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cff s ALA 147 N -5.84 1.87 -2.02 1.79 0.00 -1.22 -5.06 121.76 111.28 1cff s ALA 147 Ca -0.12 -0.70 0.32 0.00 0.00 0.00 0.00 51.96 51.46 1cff s ALA 147 Cb 0.30 -4.38 1.87 0.00 0.00 0.00 0.00 23.12 20.91 1cff s ALA 147 CO 0.76 -4.32 2.21 1.63 0.00 0.00 0.00 175.76 176.04