#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 7.52 -4.78 0.00 2.03 -1.26 -4.86 116.55 115.20 1cff n ASP 2 Ca 0.00 -3.43 -0.37 0.00 0.52 0.00 0.00 54.79 51.51 1cff n ASP 2 Cb 0.00 -1.24 -0.02 0.00 -0.72 0.00 0.00 41.12 39.14 1cff n ASP 2 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1cff s GLN 3 N -2.72 3.87 0.26 -0.67 -0.21 -1.26 -5.03 119.66 113.89 1cff s GLN 3 Ca 0.49 1.65 -0.15 0.00 0.02 0.00 0.00 55.36 57.38 1cff s GLN 3 Cb 0.25 -2.40 -0.08 0.00 1.00 0.00 0.00 33.01 31.77 1cff s GLN 3 CO -0.17 -0.43 0.67 -0.48 -2.12 0.00 0.00 175.29 172.76 1cff s LEU 4 N -2.98 4.19 0.39 2.90 0.05 -1.26 -5.04 118.68 116.94 1cff s LEU 4 Ca 0.62 1.22 -0.26 0.00 0.05 0.00 0.00 54.13 55.76 1cff s LEU 4 Cb -0.25 -3.77 -0.09 0.00 -2.05 0.00 0.00 46.19 40.02 1cff s LEU 4 CO 0.31 -0.08 1.29 0.42 -0.55 0.00 0.00 176.35 177.74 1cff s THR 5 N -1.77 2.68 -0.38 5.48 -4.23 -1.26 -4.93 115.64 111.23 1cff s THR 5 Ca 0.48 0.62 0.23 0.00 -1.18 0.00 0.00 61.69 61.83 1cff s THR 5 Cb -0.13 -3.37 -0.06 0.00 1.34 0.00 0.00 72.50 70.29 1cff s THR 5 CO 0.19 0.10 1.02 -0.62 -0.54 0.00 0.00 174.62 174.77 1cff n GLU 6 N 0.23 0.47 0.17 3.99 1.02 -1.26 -3.72 120.64 121.54 1cff n GLU 6 Ca 0.03 0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 57.15 1cff n GLU 6 Cb 0.43 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.43 0.10 3.49 4.22 -1.99 -2.29 114.58 117.67 1cff h GLU 7 Ca 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 1cff h GLU 7 Cb 0.89 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1cff h GLU 7 CO 0.00 -0.29 -0.05 1.96 -2.18 0.00 0.00 179.01 178.46 1cff h GLN 8 N -0.60 -0.13 -0.72 1.92 4.20 -2.00 -3.22 115.11 114.56 1cff h GLN 8 Ca -0.05 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.83 1cff h GLN 8 Cb 0.34 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.03 1cff h GLN 8 CO 0.07 0.32 0.10 0.97 -0.67 0.00 0.00 178.83 179.62 1cff h ILE 9 N -0.62 0.45 -1.03 2.54 2.10 -1.73 0.46 117.51 119.68 1cff h ILE 9 Ca -0.01 -0.06 0.33 0.00 1.08 0.00 0.00 64.86 66.19 1cff h ILE 9 Cb 0.50 0.25 -0.14 0.00 -1.09 0.00 0.00 36.82 36.34 1cff h ILE 9 CO 0.02 0.03 0.60 0.00 -1.08 0.00 0.00 178.15 177.72 1cff h ALA 10 N 1.63 2.03 -0.29 0.18 0.00 -1.42 1.57 119.26 122.97 1cff h ALA 10 Ca 0.40 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.50 1cff h ALA 10 Cb 0.69 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1cff h ALA 10 CO -0.56 -0.63 0.15 0.93 0.00 0.00 0.00 179.25 179.14 1cff h GLU 11 N 0.31 0.31 -0.58 0.00 4.39 -0.14 0.53 114.58 119.41 1cff h GLU 11 Ca 0.73 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.50 1cff h GLU 11 Cb 1.73 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.27 1cff h GLU 11 CO -0.58 0.20 0.39 0.35 -1.16 0.00 0.00 179.01 178.22 1cff h PHE 12 N 0.32 0.47 -0.25 4.33 3.57 0.23 0.60 116.94 126.20 1cff h PHE 12 Ca 0.12 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1cff h PHE 12 Cb 0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1cff h PHE 12 CO -0.09 0.24 -0.15 -0.22 -2.23 0.00 0.00 178.31 175.86 1cff h LYS 13 N 0.45 0.43 -0.31 1.11 3.64 0.27 0.11 116.57 122.28 1cff h LYS 13 Ca 0.26 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1cff h LYS 13 Cb 0.44 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1cff h LYS 13 CO -0.07 0.58 0.21 1.05 -2.27 0.00 0.00 179.45 178.94 1cff h GLU 14 N 0.40 0.22 0.15 1.90 -0.00 0.48 0.90 114.58 118.64 1cff h GLU 14 Ca 0.07 -0.01 -0.28 0.00 -0.00 0.00 0.00 59.36 59.14 1cff h GLU 14 Cb 0.50 -0.05 0.01 0.00 -0.00 0.00 0.00 28.75 29.21 1cff h GLU 14 CO 0.03 0.15 -1.38 0.00 -0.00 0.00 0.00 179.01 177.80 1cff h ALA 15 N 1.83 0.08 0.00 1.06 0.00 -1.05 -2.46 119.26 118.72 1cff h ALA 15 Ca 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1cff h ALA 15 Cb 0.24 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cff h ALA 15 CO -0.02 0.77 0.00 0.35 0.00 0.00 0.00 179.25 180.34 1cff h PHE 16 N -0.17 0.00 0.03 0.00 3.57 0.51 2.42 116.94 123.30 1cff h PHE 16 Ca -0.28 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 60.90 1cff h PHE 16 Cb 1.87 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.56 1cff h PHE 16 CO 0.13 0.00 -1.88 -1.13 -2.23 0.00 0.00 178.31 173.21 1cff n SER 17 N -2.74 1.13 0.02 0.41 3.41 0.30 -3.59 113.62 112.57 1cff n SER 17 Ca -0.02 0.30 -0.21 0.00 -0.26 0.00 0.00 58.87 58.68 1cff n SER 17 Cb 0.08 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 1cff n SER 17 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1cff h LEU 18 N 0.02 0.42 -1.99 1.04 4.07 -0.62 -3.26 115.31 114.98 1cff h LEU 18 Ca -0.36 -0.88 0.13 0.00 0.08 0.00 0.00 57.88 56.86 1cff h LEU 18 Cb 2.04 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 43.63 1cff h LEU 18 CO 0.07 1.58 0.45 0.15 -1.08 0.00 0.00 178.44 179.60 1cff h PHE 19 N -0.30 0.00 0.00 1.13 3.04 0.39 1.27 116.94 122.46 1cff h PHE 19 Ca -0.27 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.57 1cff h PHE 19 Cb 1.76 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.25 1cff h PHE 19 CO 0.14 0.00 -0.54 0.22 -2.02 0.00 0.00 178.31 176.11 1cff h ASP 20 N 0.00 0.00 -6.43 0.41 3.58 -1.61 -3.45 116.42 108.92 1cff h ASP 20 Ca 0.22 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.19 1cff h ASP 20 Cb 1.11 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.19 1cff h ASP 20 CO -0.00 0.54 -0.95 1.17 -2.88 0.00 0.00 179.24 177.12 1cff n LYS 21 N -3.76 -1.42 0.00 0.28 4.81 0.43 -4.65 118.16 113.85 1cff n LYS 21 Ca -0.01 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1cff n LYS 21 Cb 0.57 -3.88 0.00 0.00 0.02 0.00 0.00 35.03 31.74 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1cff n ASP 22 N -2.64 0.00 -1.01 3.14 5.68 -1.26 -5.01 116.55 115.46 1cff n ASP 22 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 1cff n ASP 22 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 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 -0.19 0.87 0.01 6.12 0.00 -1.26 -5.02 105.19 105.71 1cff n GLY 23 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.01 3.00 -0.00 1.61 -0.08 -1.26 -5.00 116.55 113.81 1cff n ASP 24 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cff n ASP 24 Cb 0.35 1.33 -0.00 0.00 2.34 0.00 0.00 41.12 45.14 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cff n GLY 25 N 2.05 0.46 3.61 0.27 0.00 -1.26 -4.98 105.19 105.33 1cff n GLY 25 Ca -0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1cff n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 26 N -1.92 -0.00 -0.01 2.61 -4.23 -1.26 -4.72 115.64 106.11 1cff s THR 26 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1cff s THR 26 Cb 0.00 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 72.82 1cff s THR 26 CO 0.00 0.00 0.58 -0.63 -0.54 0.00 0.00 174.62 174.03 1cff s ILE 27 N 1.09 4.93 0.25 2.99 -1.09 -0.98 -4.88 121.20 123.51 1cff s ILE 27 Ca -0.06 1.21 0.01 0.00 -2.23 0.00 0.00 60.65 59.58 1cff s ILE 27 Cb -0.05 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1cff s ILE 27 CO -0.11 0.42 0.15 -0.89 -1.23 0.00 0.00 174.94 173.29 1cff s THR 28 N -0.21 0.13 0.57 2.92 2.01 -1.26 -0.25 115.64 119.56 1cff s THR 28 Ca 0.30 -2.00 0.29 0.00 0.31 0.00 0.00 61.69 60.60 1cff s THR 28 Cb -0.18 -2.52 0.42 0.00 0.01 0.00 0.00 72.50 70.23 1cff s THR 28 CO 0.17 0.00 1.89 0.71 -0.69 0.00 0.00 174.62 176.70 1cff h THR 29 N 2.44 0.45 0.52 -0.82 1.35 -1.94 0.61 112.91 115.52 1cff h THR 29 Ca -0.34 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 1cff h THR 29 Cb 1.25 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 1cff h THR 29 CO 0.51 0.00 -0.48 0.50 -0.25 0.00 0.00 175.52 175.80 1cff h LYS 30 N 0.00 -0.96 0.13 4.72 1.63 -1.97 0.59 116.57 120.71 1cff h LYS 30 Ca 0.29 0.07 -0.21 0.00 -0.85 0.00 0.00 60.65 59.95 1cff h LYS 30 Cb 1.37 0.22 0.01 0.00 -0.60 0.00 0.00 32.23 33.23 1cff h LYS 30 CO -0.00 -0.64 -0.97 1.05 -3.45 0.00 0.00 179.45 175.44 1cff h GLU 31 N -0.99 0.27 -0.36 1.90 9.09 -1.57 -2.66 114.58 120.26 1cff h GLU 31 Ca -0.07 -0.46 0.10 0.00 0.05 0.00 0.00 59.36 58.98 1cff h GLU 31 Cb 0.85 0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 28.11 1cff h GLU 31 CO -0.04 1.22 0.29 1.25 0.05 0.00 0.00 179.01 181.78 1cff h LEU 32 N -0.38 0.00 0.13 3.06 7.12 0.13 -0.84 115.31 124.54 1cff h LEU 32 Ca -0.19 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.51 1cff h LEU 32 Cb 1.66 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.78 1cff h LEU 32 CO 0.11 0.00 -1.53 1.23 -0.13 0.00 0.00 178.44 178.12 1cff h GLY 33 N 0.00 0.32 0.39 3.75 0.00 0.15 -2.64 103.07 105.04 1cff h GLY 33 Ca 0.17 -0.82 0.19 0.00 0.00 0.00 0.00 47.33 46.87 1cff h GLY 33 CO -0.00 0.72 0.58 0.00 0.00 0.00 0.00 176.54 177.83 1cff h THR 34 N 0.08 0.72 0.12 4.70 1.03 -0.78 0.54 112.91 119.32 1cff h THR 34 Ca -0.25 -0.16 -0.33 0.00 -0.01 0.00 0.00 66.41 65.67 1cff h THR 34 Cb 2.03 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 69.32 1cff h THR 34 CO 0.17 0.08 -1.69 0.58 -0.01 0.00 0.00 175.52 174.65 1cff h VAL 35 N 0.46 0.97 0.00 0.00 2.07 -1.61 -2.73 116.25 115.41 1cff h VAL 35 Ca 0.46 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1cff h VAL 35 Cb 1.05 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1cff h VAL 35 CO -0.18 0.81 0.00 0.80 0.02 0.00 0.00 177.57 179.02 1cff n MET 36 N -3.44 0.08 -0.09 1.57 1.56 -0.21 0.48 117.12 117.06 1cff n MET 36 Ca -0.21 0.33 -0.12 0.00 -0.27 0.00 0.00 57.70 57.43 1cff n MET 36 Cb 1.05 -1.65 -0.11 0.00 2.15 0.00 0.00 33.22 34.66 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1cff n ARG 37 N -1.79 0.90 0.04 2.12 0.00 0.17 0.19 116.66 118.28 1cff n ARG 37 Ca 0.03 0.06 0.12 0.00 -0.00 0.00 0.00 57.85 58.06 1cff n ARG 37 Cb 0.19 -1.42 0.11 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.88 0.64 0.09 6.15 7.64 -1.03 -4.16 113.62 120.07 1cff n SER 38 Ca -0.32 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1cff n SER 38 Cb 0.96 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 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 -1.97 0.06 0.09 -3.43 4.32 0.18 -4.82 117.00 111.42 1cff n LEU 39 Ca 0.03 0.28 0.07 0.00 -0.02 0.00 0.00 56.01 56.37 1cff n LEU 39 Cb 0.43 0.17 0.34 0.00 -1.62 0.00 0.00 43.42 42.74 1cff n LEU 39 CO 0.38 -0.69 0.70 0.61 -1.22 0.00 0.00 177.39 177.16 1cff n GLY 40 N 1.93 -0.76 2.52 -0.72 0.00 0.62 -4.73 105.19 104.05 1cff n GLY 40 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.91 0.00 0.09 1.61 10.64 0.51 -4.03 117.38 124.29 1cff n GLN 41 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1cff n GLN 41 Cb 0.04 -0.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 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 4.48 -1.70 -3.15 2.61 5.03 -1.26 -5.03 115.26 116.24 1cff n ASN 42 Ca 0.49 0.39 0.00 0.00 0.87 0.00 0.00 54.58 56.32 1cff n ASN 42 Cb 0.09 1.85 0.00 0.00 -1.02 0.00 0.00 39.78 40.69 1cff n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1cff n PRO 43 N -2.84 -0.01 -2.65 3.52 -0.04 -1.26 -4.99 135.00 126.74 1cff n PRO 43 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1cff n PRO 43 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cff s THR 44 N -0.46 4.00 0.22 0.52 -4.23 -1.26 -4.96 115.64 109.48 1cff s THR 44 Ca 0.00 1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 61.71 1cff s THR 44 Cb 0.00 -3.54 0.17 0.00 1.34 0.00 0.00 72.50 70.47 1cff s THR 44 CO 0.00 -0.23 1.85 -0.33 -0.54 0.00 0.00 174.62 175.37 1cff h GLU 45 N 1.83 0.89 0.00 3.99 5.08 -1.98 -1.23 114.58 123.15 1cff h GLU 45 Ca -0.49 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 1cff h GLU 45 Cb 1.21 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1cff h GLU 45 CO 0.60 0.59 -0.15 0.00 -1.00 0.00 0.00 179.01 179.05 1cff h ALA 46 N 1.33 1.05 -0.97 3.43 0.00 -2.02 -3.17 119.26 118.90 1cff h ALA 46 Ca 0.31 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 55.36 1cff h ALA 46 Cb 0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1cff h ALA 46 CO -0.13 0.18 0.51 1.05 0.00 0.00 0.00 179.25 180.87 1cff h GLU 47 N 0.00 0.39 -0.31 0.00 -0.00 -1.59 1.44 114.58 114.50 1cff h GLU 47 Ca -0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 59.36 59.43 1cff h GLU 47 Cb 0.61 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.26 1cff h GLU 47 CO 0.02 0.26 0.36 1.37 -0.00 0.00 0.00 179.01 181.01 1cff h LEU 48 N 0.40 0.00 -0.07 3.06 -0.00 -1.69 1.56 115.31 118.57 1cff h LEU 48 Ca 0.66 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 58.32 1cff h LEU 48 Cb 1.39 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.07 1cff h LEU 48 CO -0.56 0.00 -0.84 -0.61 -0.00 0.00 0.00 178.44 176.43 1cff h GLN 49 N 0.00 0.69 -0.04 0.17 -0.00 0.18 0.24 115.11 116.34 1cff h GLN 49 Ca 0.15 -0.65 -0.13 0.00 -0.00 0.00 0.00 58.65 58.01 1cff h GLN 49 Cb 0.86 0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.48 1cff h GLN 49 CO -0.00 1.25 -0.59 0.22 0.00 0.00 0.00 178.83 179.71 1cff h ASP 50 N 0.36 0.15 0.61 -0.69 1.82 0.52 0.61 116.42 119.79 1cff h ASP 50 Ca -0.09 -0.08 -0.14 0.00 -0.39 0.00 0.00 57.03 56.33 1cff h ASP 50 Cb 1.49 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.44 1cff h ASP 50 CO 0.17 0.70 -0.64 -0.03 -1.61 0.00 0.00 179.24 177.83 1cff h MET 51 N 0.10 0.03 0.00 0.28 4.05 0.20 -0.55 114.93 119.04 1cff h MET 51 Ca -0.01 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 1cff h MET 51 Cb 1.07 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1cff h MET 51 CO 0.08 0.66 -0.33 0.82 0.23 0.00 0.00 176.91 178.38 1cff h ILE 52 N 0.02 1.30 0.00 1.77 1.08 -0.15 -3.31 117.51 118.21 1cff h ILE 52 Ca -0.01 -2.09 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 1cff h ILE 52 Cb 1.14 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.46 1cff h ILE 52 CO 0.09 0.44 0.00 0.59 -0.69 0.00 0.00 178.15 178.58 1cff n ASN 53 N -4.59 0.17 0.02 1.72 3.02 0.21 -2.46 115.26 113.35 1cff n ASN 53 Ca -0.14 0.55 -0.19 0.00 -0.03 0.00 0.00 54.58 54.77 1cff n ASN 53 Cb 0.46 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 1cff n ASN 53 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1cff h GLU 54 N 0.00 0.55 -0.00 3.52 4.81 -1.18 -3.22 114.58 119.06 1cff h GLU 54 Ca 0.00 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1cff h GLU 54 Cb 0.21 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1cff h GLU 54 CO 0.00 1.20 -0.27 1.55 -0.73 0.00 0.00 179.01 180.76 1cff n VAL 55 N -4.06 0.00 -0.67 0.32 3.14 -1.05 -4.55 118.33 111.45 1cff n VAL 55 Ca -0.10 -0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.02 1cff n VAL 55 Cb 0.76 -0.08 -0.03 0.00 -1.06 0.00 0.00 33.84 33.42 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1cff n ASP 56 N -1.49 2.94 -0.24 6.55 8.00 -1.03 -4.57 116.55 126.72 1cff n ASP 56 Ca 0.06 -2.37 0.12 0.00 0.71 0.00 0.00 54.79 53.31 1cff n ASP 56 Cb 0.34 -0.92 0.39 0.00 -0.02 0.00 0.00 41.12 40.91 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 7.41 1.86 0.00 2.24 0.00 -1.86 0.10 119.26 129.01 1cff h ALA 57 Ca 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1cff h ALA 57 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cff h ALA 57 CO 1.55 -0.07 -1.85 -0.40 0.00 0.00 0.00 179.25 178.48 1cff n ASP 58 N -4.54 0.13 -4.19 0.00 5.68 -1.26 -5.00 116.55 107.37 1cff n ASP 58 Ca 0.16 0.05 -0.39 0.00 -0.50 0.00 0.00 54.79 54.11 1cff n ASP 58 Cb 0.44 1.76 -0.04 0.00 -1.14 0.00 0.00 41.12 42.15 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 1.25 -0.48 0.12 6.12 0.00 0.02 -4.86 105.19 107.35 1cff n GLY 59 Ca -0.03 0.25 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.21 0.34 0.00 1.61 -1.07 -1.95 -3.48 115.58 108.83 1cff h ASN 60 Ca -0.68 -0.58 0.00 0.00 0.07 0.00 0.00 56.30 55.10 1cff h ASN 60 Cb 1.39 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1cff h ASN 60 CO 0.60 1.50 0.00 0.61 0.07 0.00 0.00 177.43 180.22 1cff n GLY 61 N 1.75 -1.72 1.63 9.14 0.00 -1.26 -5.17 105.19 109.55 1cff n GLY 61 Ca -0.21 0.50 -0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.99 0.00 -1.68 2.61 -2.24 -1.26 -5.06 114.28 103.65 1cff n THR 62 Ca 0.00 -0.94 -0.46 0.00 -2.27 0.00 0.00 64.05 60.38 1cff n THR 62 Cb 0.00 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1cff n THR 62 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cff n ILE 63 N -0.29 0.24 -4.36 2.28 2.08 0.66 -4.87 119.36 115.11 1cff n ILE 63 Ca 0.01 -0.04 -0.29 0.00 0.56 0.00 0.00 62.75 62.99 1cff n ILE 63 Cb 0.29 -1.76 -0.12 0.00 -0.75 0.00 0.00 39.64 37.30 1cff n ILE 63 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1cff s ASP 64 N 2.21 3.61 0.26 4.38 1.47 -1.26 -2.32 116.67 125.02 1cff s ASP 64 Ca 0.83 -0.69 -0.11 0.00 1.18 0.00 0.00 52.55 53.76 1cff s ASP 64 Cb -0.64 -0.38 0.38 0.00 -0.34 0.00 0.00 42.92 41.94 1cff s ASP 64 CO 0.42 0.16 1.50 0.33 0.68 0.00 0.00 175.17 178.26 1cff n PHE 65 N 0.67 0.25 -0.05 2.11 7.35 -1.26 -0.61 117.46 125.91 1cff n PHE 65 Ca -0.15 1.18 -0.13 0.00 -0.76 0.00 0.00 57.45 57.59 1cff n PHE 65 Cb 0.54 -1.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.30 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 0.34 -0.32 -7.13 0.13 -1.98 -1.14 132.00 121.90 1cff h PRO 66 Ca 0.42 -0.17 -0.13 0.00 -0.87 0.00 0.00 66.00 65.25 1cff h PRO 66 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1cff h PRO 66 CO -0.98 0.70 -0.31 1.05 -0.23 0.00 0.00 178.00 178.23 1cff h GLU 67 N -0.02 0.78 0.00 0.86 4.11 -1.72 -0.60 114.58 118.00 1cff h GLU 67 Ca 0.03 -0.41 -0.08 0.00 0.07 0.00 0.00 59.36 58.97 1cff h GLU 67 Cb 0.63 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1cff h GLU 67 CO 0.03 1.04 -0.37 0.35 0.07 0.00 0.00 179.01 180.12 1cff h PHE 68 N 0.56 0.00 0.22 2.06 3.57 -0.96 -2.78 116.94 119.61 1cff h PHE 68 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1cff h PHE 68 Cb 0.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1cff h PHE 68 CO 0.07 0.37 -0.10 1.25 -2.23 0.00 0.00 178.31 177.67 1cff h LEU 69 N 0.00 -0.25 -1.53 0.59 5.85 -0.93 -2.85 115.31 116.19 1cff h LEU 69 Ca -0.00 -0.28 0.19 0.00 0.84 0.00 0.00 57.88 58.63 1cff h LEU 69 Cb 0.73 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1cff h LEU 69 CO 0.05 0.21 0.58 0.71 -0.34 0.00 0.00 178.44 179.64 1cff h THR 70 N -0.78 0.70 0.75 1.05 1.35 -1.05 -1.15 112.91 113.78 1cff h THR 70 Ca -0.03 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 65.66 1cff h THR 70 Cb 0.51 0.27 0.01 0.00 -1.73 0.00 0.00 68.15 67.20 1cff h THR 70 CO 0.05 0.07 -0.36 -0.03 -0.25 0.00 0.00 175.52 175.00 1cff h MET 71 N 0.40 -0.97 -0.36 4.72 4.05 -1.44 0.78 114.93 122.11 1cff h MET 71 Ca 0.45 0.07 0.10 0.00 -0.28 0.00 0.00 59.70 60.04 1cff h MET 71 Cb 1.10 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 1cff h MET 71 CO -0.16 -0.64 0.33 1.98 0.23 0.00 0.00 176.91 178.64 1cff h MET 72 N -1.12 0.00 0.09 0.39 -1.53 -1.18 -2.08 114.93 109.51 1cff h MET 72 Ca -0.10 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.15 1cff h MET 72 Cb 0.77 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.82 1cff h MET 72 CO 0.17 0.00 -0.05 0.00 0.14 0.00 0.00 176.91 177.17 1cff h ALA 73 N 1.68 -0.23 -1.35 0.39 0.00 -0.98 -3.38 119.26 115.39 1cff h ALA 73 Ca 0.17 -0.03 -0.80 0.00 0.00 0.00 0.00 54.91 54.26 1cff h ALA 73 Cb 0.83 0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.42 1cff h ALA 73 CO -0.00 -0.22 1.20 2.89 0.00 0.00 0.00 179.25 183.11 1cff n ARG 74 N -3.38 4.95 0.00 0.00 1.85 0.24 -4.55 116.66 115.77 1cff n ARG 74 Ca -0.02 -4.42 0.00 0.00 -1.00 0.00 0.00 57.85 52.42 1cff n ARG 74 Cb 0.05 -2.53 0.00 0.00 -1.05 0.00 0.00 32.46 28.93 1cff n ARG 74 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1cff n LYS 75 N 0.81 0.00 0.21 2.89 5.02 -0.80 -4.82 118.16 121.47 1cff n LYS 75 Ca 0.42 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1cff n LYS 75 Cb 0.29 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1cff n LYS 75 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1cff n MET 76 N -1.67 0.00 -1.68 1.97 0.00 -1.26 -4.95 117.12 109.53 1cff n MET 76 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1cff n MET 76 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.27 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 -3.40 2.91 0.00 2.12 3.00 -1.26 -5.06 118.16 116.47 1cff n LYS 77 Ca 0.00 -3.58 0.00 0.00 -0.00 0.00 0.00 58.31 54.73 1cff n LYS 77 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 32.75 1cff n LYS 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 78 N -0.75 -1.69 -2.69 3.14 5.68 -1.26 -4.90 116.55 114.08 1cff n ASP 78 Ca 0.56 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.83 1cff n ASP 78 Cb 0.59 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.60 1cff n ASP 78 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1cff s THR 79 N 0.00 -0.15 0.31 2.12 -1.32 -1.26 -4.87 115.64 110.46 1cff s THR 79 Ca 0.00 -0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.40 1cff s THR 79 Cb 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.93 1cff s THR 79 CO 0.00 0.00 0.07 1.51 -2.21 0.00 0.00 174.62 173.99 1cff s ASP 80 N 1.27 2.03 -0.01 8.08 1.47 -1.26 -5.03 116.67 123.22 1cff s ASP 80 Ca 0.21 -1.39 0.07 0.00 1.18 0.00 0.00 52.55 52.62 1cff s ASP 80 Cb 0.11 0.00 0.21 0.00 -0.34 0.00 0.00 42.92 42.91 1cff s ASP 80 CO -0.12 -0.65 1.13 -0.24 0.68 0.00 0.00 175.17 175.97 1cff n SER 81 N -0.64 1.42 -2.92 2.11 2.88 -1.26 -4.90 113.62 110.32 1cff n SER 81 Ca -0.02 -2.04 -0.12 0.00 -1.33 0.00 0.00 58.87 55.36 1cff n SER 81 Cb 0.66 -0.21 0.10 0.00 -0.75 0.00 0.00 64.21 64.01 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cff n GLU 82 N 0.18 -1.68 0.00 -1.46 2.13 -1.26 -4.97 120.64 113.59 1cff n GLU 82 Ca 0.08 -0.75 0.00 0.00 0.66 0.00 0.00 57.16 57.15 1cff n GLU 82 Cb 0.25 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.29 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 -2.77 0.00 -0.01 5.31 -0.58 -1.26 -4.97 120.64 116.37 1cff n GLU 83 Ca 0.06 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.63 1cff n GLU 83 Cb 0.24 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.97 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 0.00 0.72 0.27 3.49 2.13 -1.26 -3.85 120.64 122.14 1cff n GLU 84 Ca 0.00 0.27 0.18 0.00 0.66 0.00 0.00 57.16 58.27 1cff n GLU 84 Cb 0.00 -1.73 0.97 0.00 0.27 0.00 0.00 31.44 30.96 1cff n GLU 84 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1cff h ILE 85 N 0.05 0.00 -0.45 6.31 2.04 -1.97 -2.12 117.51 121.36 1cff h ILE 85 Ca -0.39 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 65.58 1cff h ILE 85 Cb 2.03 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1cff h ILE 85 CO 0.08 0.00 0.59 0.03 0.00 0.00 0.00 178.15 178.85 1cff h ARG 86 N 0.00 0.00 0.06 2.37 3.08 -1.95 1.85 114.38 119.79 1cff h ARG 86 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1cff h ARG 86 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1cff h ARG 86 CO 0.00 0.00 -1.06 1.05 -1.07 0.00 0.00 179.97 178.89 1cff h GLU 87 N 0.00 0.12 -0.15 0.04 -0.00 -1.66 -2.65 114.58 110.28 1cff h GLU 87 Ca 0.22 -0.21 -0.04 0.00 -0.00 0.00 0.00 59.36 59.33 1cff h GLU 87 Cb 1.39 0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 30.21 1cff h GLU 87 CO -0.00 1.10 -0.07 0.00 -0.00 0.00 0.00 179.01 180.04 1cff h ALA 88 N -0.17 1.60 -0.60 1.06 0.00 -0.98 0.44 119.26 120.61 1cff h ALA 88 Ca -0.25 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1cff h ALA 88 Cb 1.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1cff h ALA 88 CO -0.03 0.29 0.15 0.35 0.00 0.00 0.00 179.25 180.01 1cff h PHE 89 N 0.22 1.01 0.00 0.00 3.57 0.27 0.68 116.94 122.70 1cff h PHE 89 Ca 0.05 -0.12 -0.19 0.00 3.53 0.00 0.00 57.97 61.24 1cff h PHE 89 Cb 0.27 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1cff h PHE 89 CO 0.00 0.86 -0.86 0.00 -2.23 0.00 0.00 178.31 176.08 1cff h ARG 90 N 0.88 0.17 -0.34 1.11 3.08 -0.95 -1.32 114.38 117.02 1cff h ARG 90 Ca 0.19 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1cff h ARG 90 Cb 0.35 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1cff h ARG 90 CO 0.00 0.93 -0.05 0.28 -1.07 0.00 0.00 179.97 180.06 1cff h VAL 91 N 0.10 1.22 -0.00 2.04 2.07 0.37 -2.23 116.25 119.82 1cff h VAL 91 Ca -0.04 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1cff h VAL 91 Cb 1.49 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1cff h VAL 91 CO 0.13 0.30 -0.43 0.49 0.02 0.00 0.00 177.57 178.08 1cff n PHE 92 N -4.24 0.00 0.07 1.57 3.72 0.23 -3.99 117.46 114.82 1cff n PHE 92 Ca 0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1cff n PHE 92 Cb 0.28 -0.27 -0.10 0.00 -0.94 0.00 0.00 39.48 38.45 1cff n PHE 92 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1cff h ASP 93 N 0.04 0.00 -4.31 4.37 1.82 -0.60 -3.42 116.42 114.32 1cff h ASP 93 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1cff h ASP 93 Cb 0.50 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 1cff h ASP 93 CO 0.00 0.91 -0.09 1.17 -1.61 0.00 0.00 179.24 179.63 1cff n LYS 94 N -3.32 -2.30 0.00 0.28 3.00 -1.19 -3.39 118.16 111.25 1cff n LYS 94 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1cff n LYS 94 Cb 0.91 -3.44 0.00 0.00 0.00 0.00 0.00 35.03 32.50 1cff n LYS 94 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 95 N -1.21 0.00 0.00 3.14 5.68 -1.26 -4.79 116.55 118.11 1cff n ASP 95 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1cff n ASP 95 Cb 0.37 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1cff n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 96 N -0.78 0.79 0.78 6.12 0.00 -1.22 -5.08 105.19 105.81 1cff n GLY 96 Ca 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 1cff n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cff n ASN 97 N 0.00 1.07 0.00 1.61 5.03 -1.26 -5.06 115.26 116.65 1cff n ASN 97 Ca 0.00 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1cff n ASN 97 Cb 0.00 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cff n GLY 98 N 2.81 1.28 3.57 7.41 0.00 -1.26 -5.12 105.19 113.89 1cff n GLY 98 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 2.70 -0.69 1.61 2.02 -1.26 -4.17 117.35 117.39 1cff s TYR 99 Ca 0.00 -0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1cff s TYR 99 Cb 0.00 -1.39 0.18 0.00 -0.40 0.00 0.00 41.96 40.35 1cff s TYR 99 CO 0.00 0.44 0.53 0.42 -1.57 0.00 0.00 175.55 175.37 1cff s ILE 100 N -1.32 4.06 0.01 2.71 1.01 -1.08 -4.93 121.20 121.67 1cff s ILE 100 Ca 0.22 -3.01 -0.11 0.00 0.00 0.00 0.00 60.65 57.74 1cff s ILE 100 Cb -0.10 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 1cff s ILE 100 CO 0.14 -0.93 0.95 -1.28 0.00 0.00 0.00 174.94 173.82 1cff h SER 101 N 7.00 -0.34 0.00 3.58 0.87 -1.93 -3.38 113.55 119.36 1cff h SER 101 Ca 0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1cff h SER 101 Cb 0.95 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1cff h SER 101 CO 0.73 -0.20 0.00 0.00 -0.53 0.00 0.00 176.83 176.83 1cff n ALA 102 N -2.26 0.00 -0.21 6.23 0.00 -1.26 -4.63 120.51 118.39 1cff n ALA 102 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1cff n ALA 102 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.28 -0.75 0.00 0.00 -1.97 1.60 119.26 117.87 1cff h ALA 103 Ca 0.00 0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.16 1cff h ALA 103 Cb 0.00 1.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1cff h ALA 103 CO 0.00 -0.48 0.53 1.05 0.00 0.00 0.00 179.25 180.34 1cff h GLU 104 N -0.00 0.14 0.01 0.00 4.11 -1.84 0.28 114.58 117.27 1cff h GLU 104 Ca 0.08 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.30 1cff h GLU 104 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1cff h GLU 104 CO -0.46 0.09 -0.89 -0.07 0.07 0.00 0.00 179.01 177.75 1cff h LEU 105 N 0.15 0.21 0.71 3.06 -0.00 0.11 -2.50 115.31 117.05 1cff h LEU 105 Ca 0.37 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 58.04 1cff h LEU 105 Cb 1.23 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.84 1cff h LEU 105 CO -0.06 0.99 -0.34 0.03 -0.00 0.00 0.00 178.44 179.06 1cff h ARG 106 N 0.08 -0.92 -0.47 1.13 3.08 0.54 0.12 114.38 117.94 1cff h ARG 106 Ca -0.04 0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 1cff h ARG 106 Cb 1.52 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.77 1cff h ARG 106 CO 0.13 -0.59 -0.23 1.25 -1.07 0.00 0.00 179.97 179.45 1cff h HIS 107 N -1.18 1.13 0.10 3.04 2.76 -1.57 -2.21 115.15 117.20 1cff h HIS 107 Ca -0.10 -0.28 -0.24 0.00 -2.20 0.00 0.00 60.37 57.55 1cff h HIS 107 Cb 0.76 -0.26 0.02 0.00 1.55 0.00 0.00 27.41 29.48 1cff h HIS 107 CO 0.00 1.10 -1.01 -0.39 -1.30 0.00 0.00 177.93 176.33 1cff h VAL 108 N 0.84 1.36 0.00 5.26 -1.51 -1.53 -2.61 116.25 118.06 1cff h VAL 108 Ca 0.10 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.19 1cff h VAL 108 Cb 0.81 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.74 1cff h VAL 108 CO 0.07 0.71 0.00 -0.03 -1.23 0.00 0.00 177.57 177.09 1cff h MET 109 N 0.06 0.00 0.00 5.19 -1.53 -0.83 0.48 114.93 118.30 1cff h MET 109 Ca -0.15 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 55.88 1cff h MET 109 Cb 1.72 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.73 1cff h MET 109 CO 0.19 0.00 -1.60 -2.37 0.14 0.00 0.00 176.91 173.28 1cff n THR 110 N -2.42 1.37 -0.01 -0.77 5.66 -0.83 -3.56 114.28 113.71 1cff n THR 110 Ca 0.03 -0.74 -0.08 0.00 -3.05 0.00 0.00 64.05 60.20 1cff n THR 110 Cb 0.33 -0.85 -0.14 0.00 -1.55 0.00 0.00 70.33 68.12 1cff n THR 110 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1cff h ASN 111 N 0.00 0.00 -0.09 1.09 4.21 -1.23 -3.32 115.58 116.25 1cff h ASN 111 Ca -0.23 -0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.31 1cff h ASN 111 Cb 1.80 -0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.94 1cff h ASN 111 CO 0.06 1.00 -0.41 0.25 -1.29 0.00 0.00 177.43 177.05 1cff h LEU 112 N 0.00 -1.26 0.00 1.61 5.85 -0.19 -3.44 115.31 117.88 1cff h LEU 112 Ca -0.26 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1cff h LEU 112 Cb 1.99 0.51 0.00 0.00 0.37 0.00 0.00 40.66 43.53 1cff h LEU 112 CO 0.08 -0.43 0.00 0.61 -0.34 0.00 0.00 178.44 178.37 1cff n GLY 113 N -1.44 0.00 0.00 3.75 0.00 -1.26 -5.10 105.19 101.15 1cff n GLY 113 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -3.12 1.61 -0.58 -1.23 -5.08 120.64 112.24 1cff n GLU 114 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1cff n GLU 114 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.00 0.85 -2.63 3.49 4.81 -1.26 -4.40 118.16 119.02 1cff n LYS 115 Ca 0.00 -3.07 -0.42 0.00 -0.87 0.00 0.00 58.31 53.95 1cff n LYS 115 Cb 0.00 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 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 -1.78 3.48 1.07 3.14 1.43 -1.26 -5.01 118.68 119.76 1cff s LEU 116 Ca 0.36 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 1cff s LEU 116 Cb 0.26 -2.66 0.09 0.00 0.03 0.00 0.00 46.19 43.91 1cff s LEU 116 CO -0.10 -1.67 0.13 0.35 0.23 0.00 0.00 176.35 175.29 1cff n THR 117 N 6.34 0.00 0.23 5.49 -2.24 -1.26 -4.34 114.28 118.50 1cff n THR 117 Ca 0.03 -0.27 0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1cff n THR 117 Cb 0.48 -0.61 0.53 0.00 -2.10 0.00 0.00 70.33 68.64 1cff n THR 117 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1cff h ASP 118 N -1.93 0.00 0.33 3.42 5.19 -1.95 0.32 116.42 121.81 1cff h ASP 118 Ca -0.51 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.62 1cff h ASP 118 Cb 1.34 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.87 1cff h ASP 118 CO 0.37 0.23 -1.21 -0.33 -3.12 0.00 0.00 179.24 175.18 1cff h GLU 119 N 0.00 0.47 0.05 3.56 3.07 -1.99 -2.68 114.58 117.07 1cff h GLU 119 Ca -0.00 -0.66 -0.18 0.00 -0.50 0.00 0.00 59.36 58.02 1cff h GLU 119 Cb 0.57 0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1cff h GLU 119 CO 0.03 1.29 -0.92 1.05 -1.40 0.00 0.00 179.01 179.05 1cff h GLU 120 N 0.19 0.11 -0.29 2.33 4.11 -1.83 -2.95 114.58 116.25 1cff h GLU 120 Ca -0.16 -0.18 -0.02 0.00 0.07 0.00 0.00 59.36 59.07 1cff h GLU 120 Cb 1.89 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 1cff h GLU 120 CO 0.22 1.09 0.10 -0.24 0.07 0.00 0.00 179.01 180.25 1cff h VAL 121 N -0.71 1.13 0.09 -1.06 3.04 -0.52 -0.80 116.25 117.42 1cff h VAL 121 Ca -0.22 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1cff h VAL 121 Cb 1.40 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1cff h VAL 121 CO -0.03 0.15 -0.04 -0.78 -1.01 0.00 0.00 177.57 175.86 1cff h ASP 122 N 0.41 -0.10 -0.28 3.17 3.58 -1.60 -2.48 116.42 119.12 1cff h ASP 122 Ca 0.10 -0.27 0.08 0.00 0.42 0.00 0.00 57.03 57.36 1cff h ASP 122 Cb 0.11 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1cff h ASP 122 CO -0.01 0.22 0.23 -0.33 -2.88 0.00 0.00 179.24 176.47 1cff h GLU 123 N -0.44 0.00 0.75 0.28 4.39 -1.26 -1.77 114.58 116.54 1cff h GLU 123 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1cff h GLU 123 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1cff h GLU 123 CO 0.02 0.00 -0.40 1.98 -1.16 0.00 0.00 179.01 179.45 1cff h MET 124 N 0.00 -1.02 -0.12 2.33 4.05 -0.70 0.34 114.93 119.81 1cff h MET 124 Ca 0.13 0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.66 1cff h MET 124 Cb 0.58 0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 1cff h MET 124 CO -0.00 -0.68 0.23 0.82 0.23 0.00 0.00 176.91 177.51 1cff h ILE 125 N -1.06 0.23 0.10 1.77 1.08 -1.18 1.33 117.51 119.79 1cff h ILE 125 Ca -0.10 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1cff h ILE 125 Cb 0.83 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1cff h ILE 125 CO 0.14 0.00 -0.05 0.03 -0.69 0.00 0.00 178.15 177.58 1cff h ARG 126 N 0.00 -0.14 -0.05 2.37 -0.00 -0.43 0.18 114.38 116.31 1cff h ARG 126 Ca 0.06 0.01 -0.12 0.00 -0.50 0.00 0.00 59.98 59.42 1cff h ARG 126 Cb 0.52 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.51 1cff h ARG 126 CO -0.00 0.36 -0.54 1.05 0.00 0.00 0.00 179.97 180.85 1cff h GLU 127 N -0.77 0.14 -0.61 0.04 4.11 0.11 -2.78 114.58 114.82 1cff h GLU 127 Ca -0.01 -0.08 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 1cff h GLU 127 Cb 0.56 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1cff h GLU 127 CO 0.02 0.64 0.12 0.00 0.07 0.00 0.00 179.01 179.87 1cff h ALA 128 N 1.34 1.07 -1.05 1.06 0.00 0.17 -3.41 119.26 118.44 1cff h ALA 128 Ca -0.00 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 1cff h ALA 128 Cb 0.98 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1cff h ALA 128 CO 0.08 0.61 1.55 -3.47 0.00 0.00 0.00 179.25 178.02 1cff n ASP 129 N -4.24 1.85 0.00 0.00 2.03 0.05 -4.82 116.55 111.42 1cff n ASP 129 Ca 0.04 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1cff n ASP 129 Cb 0.26 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 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 7.51 0.00 -0.38 5.18 -0.00 -1.26 -4.44 119.36 125.98 1cff n ILE 130 Ca 0.45 0.43 0.29 0.00 -0.00 0.00 0.00 62.75 63.92 1cff n ILE 130 Cb 0.29 -1.36 0.57 0.00 -0.00 0.00 0.00 39.64 39.13 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 0.36 -2.57 4.38 3.04 -1.95 -3.46 116.42 116.23 1cff h ASP 131 Ca 0.00 0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.91 1cff h ASP 131 Cb 0.00 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1cff h ASP 131 CO 0.00 -0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.74 1cff n GLY 132 N -1.47 0.47 0.01 7.15 0.00 -1.26 -5.01 105.19 105.07 1cff n GLY 132 Ca 0.31 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.10 0.77 0.00 1.61 8.00 -1.26 -4.96 116.55 119.61 1cff n ASP 133 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1cff n ASP 133 Cb 0.43 1.73 0.00 0.00 -0.02 0.00 0.00 41.12 43.26 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 1.45 0.98 0.00 0.44 0.00 -1.26 -4.74 105.19 102.06 1cff n GLY 134 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.49 1.61 7.27 -1.26 -5.07 117.38 116.45 1cff n GLN 135 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1cff n GLN 135 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 1cff n GLN 135 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1cff s VAL 136 N 1.65 -0.25 -0.18 1.69 0.11 -1.26 -4.34 120.40 117.81 1cff s VAL 136 Ca 0.00 -0.43 -0.21 0.00 -2.93 0.00 0.00 61.98 58.41 1cff s VAL 136 Cb 0.00 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1cff s VAL 136 CO 0.00 -0.45 0.62 0.21 -3.33 0.00 0.00 175.10 172.15 1cff s ASN 137 N 2.25 6.70 0.30 3.54 3.84 -1.26 -2.63 114.94 127.69 1cff s ASN 137 Ca 0.08 0.85 0.18 0.00 0.21 0.00 0.00 52.86 54.18 1cff s ASN 137 Cb -0.15 -2.35 1.06 0.00 -0.55 0.00 0.00 41.25 39.26 1cff s ASN 137 CO -0.26 -0.25 1.22 0.00 -2.79 0.00 0.00 177.10 175.02 1cff n TYR 138 N 4.89 0.84 -0.34 0.43 9.36 -1.26 0.15 117.16 131.23 1cff n TYR 138 Ca -0.02 0.84 0.24 0.00 3.32 0.00 0.00 57.90 62.29 1cff n TYR 138 Cb 0.50 -1.26 0.48 0.00 -0.63 0.00 0.00 39.34 38.43 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 0.00 2.98 -0.00 -1.94 1.61 114.58 117.57 1cff h GLU 139 Ca 0.66 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.36 59.94 1cff h GLU 139 Cb 1.83 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 30.49 1cff h GLU 139 CO -0.55 0.22 -0.75 1.05 -0.00 0.00 0.00 179.01 178.98 1cff h GLU 140 N 0.34 0.00 0.01 1.06 4.11 0.10 -2.54 114.58 117.67 1cff h GLU 140 Ca 0.72 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 60.15 1cff h GLU 140 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1cff h GLU 140 CO -0.55 0.17 -0.00 0.35 0.07 0.00 0.00 179.01 179.04 1cff h PHE 141 N 0.00 -0.01 0.23 2.06 3.04 0.19 -2.60 116.94 119.86 1cff h PHE 141 Ca -0.04 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1cff h PHE 141 Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.73 1cff h PHE 141 CO 0.00 0.67 -0.11 -0.24 -2.02 0.00 0.00 178.31 176.61 1cff h VAL 142 N -0.70 0.00 -1.57 1.41 3.04 0.13 -1.87 116.25 116.69 1cff h VAL 142 Ca -0.00 -0.05 0.49 0.00 -1.01 0.00 0.00 66.70 66.13 1cff h VAL 142 Cb 0.68 0.00 -0.11 0.00 -2.01 0.00 0.00 31.29 29.86 1cff h VAL 142 CO 0.00 0.00 1.07 0.06 -1.01 0.00 0.00 177.57 177.69 1cff h GLN 143 N -0.36 0.03 0.35 4.17 -0.00 -1.60 0.32 115.11 118.01 1cff h GLN 143 Ca -0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1cff h GLN 143 Cb 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 1cff h GLN 143 CO 0.05 0.02 -0.17 1.98 -0.00 0.00 0.00 178.83 180.71 1cff h MET 144 N 0.03 -0.46 0.00 0.06 4.05 -1.30 -3.33 114.93 113.98 1cff h MET 144 Ca 0.86 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 60.31 1cff h MET 144 Cb 3.05 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 33.96 1cff h MET 144 CO -0.26 -0.31 -0.28 1.98 0.23 0.00 0.00 176.91 178.28 1cff h MET 145 N -0.95 0.00 -1.23 0.39 4.05 -0.28 -3.38 114.93 113.52 1cff h MET 145 Ca -0.05 0.00 0.44 0.00 -0.28 0.00 0.00 59.70 59.82 1cff h MET 145 Cb 0.36 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.02 1cff h MET 145 CO 0.08 0.00 0.77 0.25 0.23 0.00 0.00 176.91 178.24 1cff n THR 146 N -3.83 -0.28 -2.32 -0.77 -2.24 0.96 -4.39 114.28 101.41 1cff n THR 146 Ca -0.04 1.78 -0.26 0.00 -2.27 0.00 0.00 64.05 63.26 1cff n THR 146 Cb 0.14 -2.91 0.05 0.00 -2.10 0.00 0.00 70.33 65.52 1cff n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cff s ALA 147 N -5.24 3.27 -2.14 6.98 0.00 -1.09 -5.01 121.76 118.52 1cff s ALA 147 Ca -0.07 -0.82 0.17 0.00 0.00 0.00 0.00 51.96 51.24 1cff s ALA 147 Cb 0.30 -2.58 0.14 0.00 0.00 0.00 0.00 23.12 20.98 1cff s ALA 147 CO 0.77 -1.01 1.04 1.63 0.00 0.00 0.00 175.76 178.20