#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 5.92 0.10 0.00 1.01 -1.26 -5.10 116.67 117.34 1cff s ASP 2 Ca 0.00 0.05 -0.21 0.00 0.71 0.00 0.00 52.55 53.10 1cff s ASP 2 Cb 0.00 -1.68 -0.07 0.00 1.01 0.00 0.00 42.92 42.18 1cff s ASP 2 CO 0.00 0.09 0.64 -1.10 0.21 0.00 0.00 175.17 175.01 1cff s GLN 3 N -2.94 4.32 0.11 8.23 1.11 -1.26 -5.05 119.66 124.19 1cff s GLN 3 Ca 0.32 0.88 -0.28 0.00 0.01 0.00 0.00 55.36 56.29 1cff s GLN 3 Cb -0.11 -3.25 -0.06 0.00 -1.01 0.00 0.00 33.01 28.58 1cff s GLN 3 CO 0.26 0.61 0.87 -0.48 0.01 0.00 0.00 175.29 176.56 1cff s LEU 4 N -1.11 4.51 0.38 2.90 0.05 -1.26 -5.01 118.68 119.15 1cff s LEU 4 Ca 0.31 1.69 -0.27 0.00 0.05 0.00 0.00 54.13 55.91 1cff s LEU 4 Cb -0.21 -3.44 -0.10 0.00 -2.05 0.00 0.00 46.19 40.39 1cff s LEU 4 CO 0.21 0.02 1.42 0.42 -0.55 0.00 0.00 176.35 177.87 1cff s THR 5 N -0.31 2.26 -0.61 5.48 -4.23 -1.26 -4.91 115.64 112.06 1cff s THR 5 Ca 0.42 0.25 0.23 0.00 -1.18 0.00 0.00 61.69 61.42 1cff s THR 5 Cb -0.23 -3.16 -0.06 0.00 1.34 0.00 0.00 72.50 70.39 1cff s THR 5 CO 0.28 0.05 1.11 1.21 -0.54 0.00 0.00 174.62 176.73 1cff n GLU 6 N 0.36 0.30 0.09 3.99 0.00 -1.26 -3.74 120.64 120.38 1cff n GLU 6 Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 57.16 57.16 1cff n GLU 6 Cb 0.41 -1.62 -0.02 0.00 0.00 0.00 0.00 31.44 30.20 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1cff h GLU 7 N 0.00 -0.25 0.18 5.31 4.81 -1.99 -2.28 114.58 120.36 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1cff h GLU 7 Cb 0.74 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1cff h GLU 7 CO 0.00 -0.17 -0.09 1.96 -0.73 0.00 0.00 179.01 179.99 1cff h GLN 8 N -0.53 -0.24 -0.62 1.92 4.20 -2.00 -3.07 115.11 114.77 1cff h GLN 8 Ca -0.03 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.83 1cff h GLN 8 Cb 0.20 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.94 1cff h GLN 8 CO 0.04 0.04 0.07 0.97 -0.67 0.00 0.00 178.83 179.29 1cff h ILE 9 N -0.50 0.56 -1.05 2.54 2.10 -1.75 0.29 117.51 119.70 1cff h ILE 9 Ca -0.03 -0.07 0.32 0.00 1.08 0.00 0.00 64.86 66.17 1cff h ILE 9 Cb 0.38 0.35 -0.14 0.00 -1.09 0.00 0.00 36.82 36.33 1cff h ILE 9 CO 0.04 0.03 0.63 0.00 -1.08 0.00 0.00 178.15 177.77 1cff h ALA 10 N 1.53 2.09 -0.35 0.18 0.00 -1.31 1.61 119.26 123.02 1cff h ALA 10 Ca 0.33 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1cff h ALA 10 Cb 0.52 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1cff h ALA 10 CO -0.47 -0.67 0.17 0.93 0.00 0.00 0.00 179.25 179.21 1cff h GLU 11 N 0.33 0.34 -0.39 0.00 4.39 -0.37 0.69 114.58 119.55 1cff h GLU 11 Ca 0.72 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.47 1cff h GLU 11 Cb 1.74 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.29 1cff h GLU 11 CO -0.52 0.22 0.27 0.35 -1.16 0.00 0.00 179.01 178.17 1cff h PHE 12 N 0.35 0.21 -0.57 4.33 3.57 0.24 0.26 116.94 125.33 1cff h PHE 12 Ca 0.15 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 1cff h PHE 12 Cb 0.07 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1cff h PHE 12 CO -0.10 0.11 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.79 1cff h LYS 13 N 0.21 1.05 -0.93 1.11 3.64 0.29 0.24 116.57 122.18 1cff h LYS 13 Ca 0.18 -0.37 0.21 0.00 -1.27 0.00 0.00 60.65 59.40 1cff h LYS 13 Cb 0.44 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 1cff h LYS 13 CO -0.03 1.07 0.61 0.93 -2.27 0.00 0.00 179.45 179.75 1cff h GLU 14 N 0.94 0.42 0.00 1.90 5.08 0.35 1.34 114.58 124.62 1cff h GLU 14 Ca 0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1cff h GLU 14 Cb 0.64 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1cff h GLU 14 CO 0.04 0.28 -0.08 0.00 -1.00 0.00 0.00 179.01 178.25 1cff h ALA 15 N 1.61 0.01 -0.12 3.43 0.00 -1.20 -2.26 119.26 120.73 1cff h ALA 15 Ca 0.49 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1cff h ALA 15 Cb 1.18 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1cff h ALA 15 CO -0.20 0.06 0.54 0.35 0.00 0.00 0.00 179.25 180.00 1cff h PHE 16 N -1.00 0.00 0.07 0.00 3.57 0.48 2.76 116.94 122.81 1cff h PHE 16 Ca -0.01 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.14 1cff h PHE 16 Cb 0.36 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1cff h PHE 16 CO 0.07 0.00 -1.99 0.43 -2.23 0.00 0.00 178.31 174.58 1cff n SER 17 N -2.95 1.61 -0.02 0.41 7.64 0.45 -4.19 113.62 116.56 1cff n SER 17 Ca 0.01 0.22 -0.20 0.00 1.01 0.00 0.00 58.87 59.91 1cff n SER 17 Cb 0.61 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 63.22 1cff n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1cff h LEU 18 N 0.04 0.25 -1.99 -3.43 7.12 0.18 -3.33 115.31 114.14 1cff h LEU 18 Ca -0.41 -0.83 0.53 0.00 0.13 0.00 0.00 57.88 57.30 1cff h LEU 18 Cb 2.03 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 42.00 1cff h LEU 18 CO 0.06 1.43 1.31 0.15 -0.13 0.00 0.00 178.44 181.27 1cff h PHE 19 N -0.59 0.01 0.00 1.25 3.04 0.45 1.40 116.94 122.50 1cff h PHE 19 Ca -0.23 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.73 1cff h PHE 19 Cb 1.50 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.01 1cff h PHE 19 CO 0.16 -0.00 0.18 0.22 -2.02 0.00 0.00 178.31 176.85 1cff h ASP 20 N 0.00 0.00 -6.78 0.41 1.82 -1.73 -3.45 116.42 106.69 1cff h ASP 20 Ca 0.87 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.95 1cff h ASP 20 Cb 3.48 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 43.33 1cff h ASP 20 CO -0.01 0.00 -0.90 2.29 -1.61 0.00 0.00 179.24 179.00 1cff n LYS 21 N -2.65 -2.38 0.00 0.28 2.85 0.48 -4.57 118.16 112.17 1cff n LYS 21 Ca -0.02 0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 1cff n LYS 21 Cb 0.22 -4.40 0.00 0.00 -0.65 0.00 0.00 35.03 30.20 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 -2.84 0.00 -0.15 -5.58 5.68 -1.26 -5.05 116.55 107.35 1cff n ASP 22 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 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 -1.08 0.65 0.04 6.12 0.00 -1.26 -5.03 105.19 104.62 1cff n GLY 23 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.04 3.26 0.00 1.61 2.03 -1.26 -5.02 116.55 117.14 1cff n ASP 24 Ca 0.00 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1cff n ASP 24 Cb 0.09 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 2.83 3.32 3.41 0.27 0.00 -1.26 -5.01 105.19 108.75 1cff n GLY 25 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.48 3.75 -0.28 2.61 -4.23 -1.26 -4.78 115.64 108.96 1cff s THR 26 Ca 0.00 -0.38 -0.21 0.00 -1.18 0.00 0.00 61.69 59.92 1cff s THR 26 Cb 0.00 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1cff s THR 26 CO 0.00 0.43 0.67 -0.63 -0.54 0.00 0.00 174.62 174.55 1cff s ILE 27 N 1.06 4.92 0.26 2.99 -1.09 -1.06 -4.91 121.20 123.38 1cff s ILE 27 Ca 0.02 1.04 0.02 0.00 -2.23 0.00 0.00 60.65 59.50 1cff s ILE 27 Cb -0.14 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1cff s ILE 27 CO 0.01 -0.10 0.08 -0.89 -1.23 0.00 0.00 174.94 172.81 1cff s THR 28 N 2.64 0.71 0.60 2.92 2.01 -1.26 -1.64 115.64 121.63 1cff s THR 28 Ca 0.27 -2.00 0.28 0.00 0.31 0.00 0.00 61.69 60.55 1cff s THR 28 Cb -0.15 -2.61 0.37 0.00 0.01 0.00 0.00 72.50 70.12 1cff s THR 28 CO 0.11 -0.06 1.84 0.71 -0.69 0.00 0.00 174.62 176.53 1cff h THR 29 N 2.36 0.28 0.61 -0.82 1.35 -1.95 0.14 112.91 114.88 1cff h THR 29 Ca -0.39 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 29 Cb 1.24 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1cff h THR 29 CO 0.63 0.00 -0.48 0.50 -0.25 0.00 0.00 175.52 175.92 1cff h LYS 30 N 0.00 -1.02 0.15 4.72 1.63 -1.97 1.17 116.57 121.25 1cff h LYS 30 Ca 0.20 0.07 -0.27 0.00 -0.85 0.00 0.00 60.65 59.80 1cff h LYS 30 Cb 1.26 0.23 0.03 0.00 -0.60 0.00 0.00 32.23 33.15 1cff h LYS 30 CO -0.00 -0.68 -1.15 1.05 -3.45 0.00 0.00 179.45 175.22 1cff h GLU 31 N -1.06 0.52 -0.71 1.90 9.09 -1.63 -2.82 114.58 119.87 1cff h GLU 31 Ca -0.08 -0.75 -0.00 0.00 0.05 0.00 0.00 59.36 58.58 1cff h GLU 31 Cb 0.88 0.26 -0.03 0.00 -1.65 0.00 0.00 28.75 28.21 1cff h GLU 31 CO 0.01 1.34 0.44 1.25 0.05 0.00 0.00 179.01 182.10 1cff h LEU 32 N 0.07 0.85 -0.44 3.06 7.12 -0.79 -2.58 115.31 122.61 1cff h LEU 32 Ca -0.18 -0.05 -0.05 0.00 0.13 0.00 0.00 57.88 57.72 1cff h LEU 32 Cb 1.86 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.76 1cff h LEU 32 CO 0.22 0.65 0.07 1.23 -0.13 0.00 0.00 178.44 180.48 1cff h GLY 33 N 0.97 0.79 0.42 3.75 0.00 0.13 -2.19 103.07 106.94 1cff h GLY 33 Ca 0.26 -0.53 0.17 0.00 0.00 0.00 0.00 47.33 47.23 1cff h GLY 33 CO -0.05 0.49 0.58 -0.84 0.00 0.00 0.00 176.54 176.71 1cff h THR 34 N 0.59 0.75 -0.20 4.70 2.02 -1.21 0.12 112.91 119.69 1cff h THR 34 Ca 0.13 -0.18 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 1cff h THR 34 Cb 0.39 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1cff h THR 34 CO 0.01 0.10 -0.67 0.58 0.37 0.00 0.00 175.52 175.90 1cff h VAL 35 N 0.53 1.29 0.00 3.16 2.07 -1.09 0.84 116.25 123.05 1cff h VAL 35 Ca 0.45 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1cff h VAL 35 Cb 0.95 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1cff h VAL 35 CO -0.19 0.60 0.00 0.23 0.02 0.00 0.00 177.57 178.23 1cff n MET 36 N -3.95 0.13 -0.05 1.57 2.81 0.34 -1.45 117.12 116.51 1cff n MET 36 Ca -0.06 0.48 -0.10 0.00 -1.81 0.00 0.00 57.70 56.22 1cff n MET 36 Cb 0.69 -1.81 -0.04 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.05 0.25 0.26 0.03 0.00 -0.66 -0.66 116.66 113.82 1cff n ARG 37 Ca 0.01 0.09 0.18 0.00 -0.00 0.00 0.00 57.85 58.12 1cff n ARG 37 Cb 0.13 -1.02 0.94 0.00 0.00 0.00 0.00 32.46 32.50 1cff n ARG 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1cff h SER 38 N -0.24 0.00 0.00 6.15 0.02 0.74 -0.56 113.55 119.66 1cff h SER 38 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1cff h SER 38 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1cff h SER 38 CO -0.12 0.00 -1.28 0.18 -1.14 0.00 0.00 176.83 174.47 1cff n LEU 39 N -2.74 0.02 -1.75 5.07 4.32 -0.53 -5.00 117.00 116.39 1cff n LEU 39 Ca -0.02 -0.03 -0.10 0.00 -0.02 0.00 0.00 56.01 55.84 1cff n LEU 39 Cb 0.07 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1cff n LEU 39 CO 0.16 0.00 0.07 0.61 -1.22 0.00 0.00 177.39 177.02 1cff n GLY 40 N 2.03 0.24 3.75 -0.72 0.00 -0.22 -4.97 105.19 105.31 1cff n GLY 40 Ca -0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1cff n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cff s GLN 41 N -5.40 4.55 0.21 1.61 -0.21 0.16 -4.94 119.66 115.63 1cff s GLN 41 Ca 0.22 1.90 -0.13 0.00 0.02 0.00 0.00 55.36 57.37 1cff s GLN 41 Cb -0.10 -3.18 0.25 0.00 1.00 0.00 0.00 33.01 30.98 1cff s GLN 41 CO 0.27 0.05 1.32 0.09 -2.12 0.00 0.00 175.29 174.91 1cff n ASN 42 N 1.51 -0.50 -3.46 5.90 5.03 -1.26 -4.64 115.26 117.84 1cff n ASN 42 Ca 0.01 1.48 -0.46 0.00 0.87 0.00 0.00 54.58 56.48 1cff n ASN 42 Cb 0.44 -0.36 -0.06 0.00 -1.02 0.00 0.00 39.78 38.77 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 -5.29 0.00 -1.41 3.52 -0.02 -1.26 -4.90 135.00 125.64 1cff n PRO 43 Ca 0.10 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 1cff n PRO 43 Cb 0.36 -1.15 0.10 0.00 -0.02 0.00 0.00 33.50 32.80 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 0.22 3.00 0.40 3.45 -4.23 -1.26 -4.89 115.64 112.33 1cff s THR 44 Ca 0.71 0.33 0.12 0.00 -1.18 0.00 0.00 61.69 61.66 1cff s THR 44 Cb -0.99 -2.96 0.33 0.00 1.34 0.00 0.00 72.50 70.22 1cff s THR 44 CO 0.45 -0.42 1.94 -0.08 -0.54 0.00 0.00 174.62 175.97 1cff h GLU 45 N -1.23 0.51 0.00 3.99 4.81 -1.95 -1.60 114.58 119.11 1cff h GLU 45 Ca -0.47 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.46 1cff h GLU 45 Cb 1.27 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1cff h GLU 45 CO 0.57 0.34 -1.65 0.00 -0.73 0.00 0.00 179.01 177.54 1cff n ALA 46 N -2.49 1.60 -0.28 2.92 0.00 -1.26 -4.16 120.51 116.84 1cff n ALA 46 Ca 0.13 -0.72 0.10 0.00 0.00 0.00 0.00 53.44 52.95 1cff n ALA 46 Cb 0.41 -0.87 0.25 0.00 0.00 0.00 0.00 19.45 19.25 1cff n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cff h GLU 47 N 0.00 0.35 -1.12 0.00 4.81 -1.64 0.84 114.58 117.83 1cff h GLU 47 Ca -0.26 -0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.27 1cff h GLU 47 Cb 1.91 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.16 1cff h GLU 47 CO 0.07 0.23 0.79 1.37 -0.73 0.00 0.00 179.01 180.74 1cff h LEU 48 N 0.36 0.08 -0.24 1.64 8.10 -1.69 1.45 115.31 125.01 1cff h LEU 48 Ca 0.50 0.02 -0.17 0.00 0.11 0.00 0.00 57.88 58.33 1cff h LEU 48 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.12 1cff h LEU 48 CO -0.52 0.01 -0.51 -0.61 -4.11 0.00 0.00 178.44 172.71 1cff h GLN 49 N 0.07 0.77 0.00 0.17 5.75 0.47 0.51 115.11 122.86 1cff h GLN 49 Ca 0.55 -0.51 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1cff h GLN 49 Cb 2.05 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 30.66 1cff h GLN 49 CO -0.06 1.13 -0.43 0.22 -2.65 0.00 0.00 178.83 177.04 1cff h ASP 50 N 0.51 0.00 -0.02 -0.69 1.82 0.18 0.44 116.42 118.66 1cff h ASP 50 Ca 0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.39 1cff h ASP 50 Cb 1.12 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.15 1cff h ASP 50 CO 0.11 0.43 -0.99 -0.03 -1.61 0.00 0.00 179.24 177.15 1cff h MET 51 N 0.00 0.71 -0.15 0.28 4.05 0.11 -2.35 114.93 117.58 1cff h MET 51 Ca -0.00 -0.74 -0.11 0.00 -0.28 0.00 0.00 59.70 58.57 1cff h MET 51 Cb 0.77 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1cff h MET 51 CO 0.06 1.31 -0.34 0.82 0.23 0.00 0.00 176.91 178.98 1cff h ILE 52 N 0.40 1.36 0.00 1.77 1.08 0.32 -2.95 117.51 119.49 1cff h ILE 52 Ca -0.12 -1.61 -0.02 0.00 -0.39 0.00 0.00 64.86 62.73 1cff h ILE 52 Cb 1.64 2.00 -0.00 0.00 -3.07 0.00 0.00 36.82 37.39 1cff h ILE 52 CO 0.20 0.49 -0.08 -1.13 -0.69 0.00 0.00 178.15 176.93 1cff h ASN 53 N 0.13 0.00 -0.28 1.72 -0.00 -0.19 -1.94 115.58 115.02 1cff h ASN 53 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.15 1cff h ASN 53 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.26 1cff h ASN 53 CO 0.08 0.08 -0.38 -0.33 -0.00 0.00 0.00 177.43 176.88 1cff h GLU 54 N 0.00 0.82 -0.63 6.67 5.08 -1.30 -2.81 114.58 122.40 1cff h GLU 54 Ca -0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1cff h GLU 54 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1cff h GLU 54 CO 0.01 1.06 0.00 0.28 -1.00 0.00 0.00 179.01 179.36 1cff n VAL 55 N -4.05 0.97 -1.18 3.13 0.31 -0.76 -4.38 118.33 112.37 1cff n VAL 55 Ca -0.02 -0.57 -0.23 0.00 -0.01 0.00 0.00 64.34 63.51 1cff n VAL 55 Cb 0.53 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1cff n ASP 56 N 0.37 6.59 -0.20 4.52 9.92 -1.00 -4.55 116.55 132.18 1cff n ASP 56 Ca 0.12 -3.19 0.00 0.00 -0.53 0.00 0.00 54.79 51.20 1cff n ASP 56 Cb 0.54 -1.12 0.09 0.00 -0.64 0.00 0.00 41.12 39.99 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 2.14 0.54 0.00 2.24 0.00 -1.84 0.17 119.26 122.50 1cff h ALA 57 Ca 0.36 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 1cff h ALA 57 Cb 0.82 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cff h ALA 57 CO 0.88 -0.41 -1.11 0.38 0.00 0.00 0.00 179.25 179.00 1cff h ASP 58 N 0.07 0.00 -7.05 0.00 3.04 -1.96 -3.48 116.42 107.05 1cff h ASP 58 Ca 0.31 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.50 1cff h ASP 58 Cb 0.50 0.00 -0.35 0.00 -1.04 0.00 0.00 39.33 38.45 1cff h ASP 58 CO -0.57 0.20 -0.88 0.61 -2.04 0.00 0.00 179.24 176.56 1cff n GLY 59 N 1.25 -0.34 0.22 7.15 0.00 0.58 -4.78 105.19 109.26 1cff n GLY 59 Ca -0.03 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.96 0.00 0.00 1.61 -1.07 -1.93 -3.45 115.58 109.78 1cff h ASN 60 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.78 1cff h ASN 60 Cb 1.34 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.59 1cff h ASN 60 CO 0.84 0.27 0.00 0.61 0.07 0.00 0.00 177.43 179.21 1cff n GLY 61 N 0.00 1.13 0.49 9.14 0.00 -1.26 -5.15 105.19 109.54 1cff n GLY 61 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.90 2.61 -2.24 -1.26 -5.11 114.28 106.38 1cff n THR 62 Ca 0.00 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1cff n THR 62 Cb 0.00 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.88 3.40 0.16 2.28 -1.09 -0.65 -4.84 121.20 117.58 1cff s ILE 63 Ca 0.02 0.48 0.11 0.00 -2.23 0.00 0.00 60.65 59.02 1cff s ILE 63 Cb -0.01 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1cff s ILE 63 CO 0.02 -0.08 -0.24 -0.62 -1.23 0.00 0.00 174.94 172.79 1cff s ASP 64 N 4.17 3.21 0.20 3.58 2.15 -1.26 -2.56 116.67 126.16 1cff s ASP 64 Ca 0.79 -0.81 -0.17 0.00 0.43 0.00 0.00 52.55 52.80 1cff s ASP 64 Cb -0.34 -0.22 0.18 0.00 -0.30 0.00 0.00 42.92 42.24 1cff s ASP 64 CO 0.33 0.12 1.38 0.33 -0.17 0.00 0.00 175.17 177.16 1cff n PHE 65 N 0.58 -0.02 0.32 -5.34 7.35 -1.26 0.28 117.46 119.37 1cff n PHE 65 Ca -0.15 1.10 -0.14 0.00 -0.76 0.00 0.00 57.45 57.50 1cff n PHE 65 Cb 0.55 -0.80 -0.07 0.00 0.35 0.00 0.00 39.48 39.50 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 -0.84 -1.00 -7.13 0.13 -1.97 1.00 132.00 122.19 1cff h PRO 66 Ca 0.29 0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.51 1cff h PRO 66 Cb 0.51 0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.78 1cff h PRO 66 CO -0.88 -0.56 0.66 1.05 -0.23 0.00 0.00 178.00 178.04 1cff h GLU 67 N -0.87 1.25 0.00 0.86 4.11 -1.75 0.12 114.58 118.29 1cff h GLU 67 Ca -0.08 -0.08 -0.05 0.00 0.07 0.00 0.00 59.36 59.22 1cff h GLU 67 Cb 0.70 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1cff h GLU 67 CO 0.08 0.83 -0.25 0.35 0.07 0.00 0.00 179.01 180.09 1cff h PHE 68 N 1.29 0.00 0.11 2.06 3.57 -0.11 -2.41 116.94 121.44 1cff h PHE 68 Ca 0.39 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1cff h PHE 68 Cb -0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1cff h PHE 68 CO -0.00 0.25 -0.05 1.25 -2.23 0.00 0.00 178.31 177.53 1cff h LEU 69 N 0.00 -0.12 -0.43 0.59 5.85 0.29 -2.73 115.31 118.76 1cff h LEU 69 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1cff h LEU 69 Cb 0.83 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 1cff h LEU 69 CO 0.03 0.00 -0.07 0.71 -0.34 0.00 0.00 178.44 178.77 1cff h THR 70 N -0.32 0.60 -0.55 1.05 1.35 -1.24 1.10 112.91 114.91 1cff h THR 70 Ca -0.01 -0.01 0.11 0.00 -0.55 0.00 0.00 66.41 65.94 1cff h THR 70 Cb 0.11 0.57 -0.08 0.00 -1.73 0.00 0.00 68.15 67.01 1cff h THR 70 CO 0.02 0.01 0.06 0.24 -0.25 0.00 0.00 175.52 175.60 1cff h MET 71 N 0.03 0.18 0.00 4.72 2.86 -1.57 0.25 114.93 121.40 1cff h MET 71 Ca 0.21 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1cff h MET 71 Cb 0.32 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1cff h MET 71 CO -0.41 0.12 -0.14 1.98 1.06 0.00 0.00 176.91 179.51 1cff h MET 72 N 0.18 0.00 0.14 1.72 -1.53 -0.98 -3.37 114.93 111.10 1cff h MET 72 Ca 0.28 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.54 1cff h MET 72 Cb 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.48 1cff h MET 72 CO -0.41 0.14 -0.07 0.00 0.14 0.00 0.00 176.91 176.71 1cff h ALA 73 N 1.86 -0.29 -2.30 0.39 0.00 0.31 -3.47 119.26 115.76 1cff h ALA 73 Ca -0.00 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.40 1cff h ALA 73 Cb 1.11 0.07 0.06 0.00 0.00 0.00 0.00 17.79 19.04 1cff h ALA 73 CO 0.02 -0.28 0.21 -0.98 0.00 0.00 0.00 179.25 178.22 1cff s ARG 74 N -2.13 2.67 0.24 0.00 1.70 0.70 -5.06 118.95 117.08 1cff s ARG 74 Ca -0.03 -0.06 0.05 0.00 -0.47 0.00 0.00 55.73 55.22 1cff s ARG 74 Cb 0.00 -2.22 -0.03 0.00 -0.57 0.00 0.00 34.95 32.13 1cff s ARG 74 CO 0.08 -0.91 0.33 0.15 -1.08 0.00 0.00 175.30 173.87 1cff s LYS 75 N -5.10 3.35 -0.34 3.89 3.01 -1.26 -4.75 119.74 118.53 1cff s LYS 75 Ca 0.56 -0.81 0.15 0.00 -1.01 0.00 0.00 55.97 54.87 1cff s LYS 75 Cb -0.11 -2.83 0.44 0.00 -1.01 0.00 0.00 37.83 34.32 1cff s LYS 75 CO 0.45 0.43 1.04 -1.33 0.51 0.00 0.00 175.35 176.46 1cff n MET 76 N -1.33 1.15 0.00 1.68 2.81 -1.26 -5.12 117.12 115.04 1cff n MET 76 Ca -0.09 -2.88 0.00 0.00 -1.81 0.00 0.00 57.70 52.92 1cff n MET 76 Cb 0.57 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 1cff n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1cff n LYS 77 N -0.17 1.19 -1.80 0.03 3.00 -1.26 -4.88 118.16 114.26 1cff n LYS 77 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.36 1cff n LYS 77 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.85 1cff n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1cff n ASP 78 N 0.00 -3.35 0.00 3.14 8.00 -1.26 -5.06 116.55 118.03 1cff n ASP 78 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1cff n ASP 78 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 1cff n ASP 78 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1cff n THR 79 N -0.37 0.00 -3.15 -3.53 5.66 -1.26 -5.14 114.28 106.49 1cff n THR 79 Ca 0.02 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.08 1cff n THR 79 Cb 0.09 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.86 1cff n THR 79 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1cff s ASP 80 N 0.00 -0.22 0.00 1.09 -4.77 -1.26 -5.18 116.67 106.33 1cff s ASP 80 Ca 0.00 0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.35 1cff s ASP 80 Cb 0.00 1.17 0.00 0.00 -1.09 0.00 0.00 42.92 43.00 1cff s ASP 80 CO 0.00 -0.04 0.00 -0.24 0.70 0.00 0.00 175.17 175.59 1cff n SER 81 N 5.38 0.00 -4.21 2.11 2.88 -1.26 -5.16 113.62 113.36 1cff n SER 81 Ca -0.04 -0.23 -0.34 0.00 -1.33 0.00 0.00 58.87 56.93 1cff n SER 81 Cb 0.55 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.14 1cff n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cff n GLU 82 N 0.00 -1.04 0.00 -1.46 4.71 -1.26 -4.98 120.64 116.60 1cff n GLU 82 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 57.16 56.86 1cff n GLU 82 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 1cff n GLU 82 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1cff n GLU 83 N -0.71 0.00 -0.04 3.49 0.28 -1.26 -4.82 120.64 117.58 1cff n GLU 83 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1cff n GLU 83 Cb 0.65 -0.17 -0.05 0.00 1.43 0.00 0.00 31.44 33.30 1cff n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1cff n GLU 84 N -2.67 1.41 0.02 3.44 4.07 -1.26 -4.48 120.64 121.18 1cff n GLU 84 Ca 0.00 0.03 0.07 0.00 -0.06 0.00 0.00 57.16 57.20 1cff n GLU 84 Cb 0.17 -1.18 0.32 0.00 -0.06 0.00 0.00 31.44 30.69 1cff n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1cff n ILE 85 N -2.54 1.04 -0.24 6.31 2.08 -1.26 -3.27 119.36 121.48 1cff n ILE 85 Ca -0.14 0.27 0.31 0.00 0.56 0.00 0.00 62.75 63.75 1cff n ILE 85 Cb 0.70 -1.07 0.61 0.00 -0.75 0.00 0.00 39.64 39.13 1cff n ILE 85 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1cff h ARG 86 N 0.00 0.00 0.00 0.38 2.43 -1.88 1.70 114.38 117.01 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 0.25 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1cff h ARG 86 CO 0.00 0.00 -0.03 0.93 -1.51 0.00 0.00 179.97 179.36 1cff h GLU 87 N 0.00 0.00 -0.12 0.20 5.08 -1.91 -1.77 114.58 116.07 1cff h GLU 87 Ca 0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 1cff h GLU 87 Cb 2.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.80 1cff h GLU 87 CO -0.01 0.44 -0.06 0.00 -1.00 0.00 0.00 179.01 178.39 1cff h ALA 88 N -0.57 1.69 -0.46 3.43 0.00 -1.02 0.70 119.26 123.03 1cff h ALA 88 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1cff h ALA 88 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1cff h ALA 88 CO -0.00 0.23 -0.14 0.35 0.00 0.00 0.00 179.25 179.69 1cff h PHE 89 N 0.17 0.97 0.05 0.00 3.57 0.23 -0.22 116.94 121.70 1cff h PHE 89 Ca 0.04 -0.20 -0.23 0.00 3.53 0.00 0.00 57.97 61.11 1cff h PHE 89 Cb 0.22 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1cff h PHE 89 CO 0.00 0.95 -1.05 -0.09 -2.23 0.00 0.00 178.31 175.89 1cff h ARG 90 N 0.77 0.23 -0.09 1.11 1.12 -0.32 -0.77 114.38 116.44 1cff h ARG 90 Ca 0.12 -0.32 -0.00 0.00 -1.11 0.00 0.00 59.98 58.67 1cff h ARG 90 Cb 0.66 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.72 1cff h ARG 90 CO 0.05 1.09 0.05 0.28 -3.11 0.00 0.00 179.97 178.33 1cff h VAL 91 N 0.10 1.03 -0.01 0.20 2.07 0.79 -1.71 116.25 118.71 1cff h VAL 91 Ca -0.08 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1cff h VAL 91 Cb 1.74 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1cff h VAL 91 CO 0.17 0.03 -0.44 0.49 0.02 0.00 0.00 177.57 177.84 1cff n PHE 92 N -4.52 0.00 0.80 1.57 3.72 -0.13 -4.30 117.46 114.60 1cff n PHE 92 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1cff n PHE 92 Cb 0.09 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.00 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cff n ASP 93 N -0.18 0.49 0.00 4.37 2.03 -0.31 -4.64 116.55 118.32 1cff n ASP 93 Ca 0.08 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1cff n ASP 93 Cb 0.39 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -1.84 0.00 -0.14 -0.67 3.00 -1.17 0.15 118.16 117.48 1cff n LYS 94 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.33 1cff n LYS 94 Cb 0.39 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.46 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 0.06 0.00 3.14 3.04 -1.93 -3.47 116.42 117.27 1cff h ASP 95 Ca 0.00 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1cff h ASP 95 Cb 0.00 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1cff h ASP 95 CO 0.00 0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 1cff n GLY 96 N -1.26 0.61 0.77 7.15 0.00 0.39 -5.10 105.19 107.75 1cff n GLY 96 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 1.24 0.00 1.61 4.13 -1.25 -5.06 115.26 115.92 1cff n ASN 97 Ca 0.00 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1cff n ASN 97 Cb 0.00 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 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 2.92 1.10 3.79 7.41 0.00 -1.26 -5.13 105.19 114.01 1cff n GLY 98 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 3.18 -0.79 1.61 2.02 -1.26 -4.48 117.35 117.62 1cff s TYR 99 Ca 0.00 0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.68 1cff s TYR 99 Cb 0.00 -1.58 0.20 0.00 -0.40 0.00 0.00 41.96 40.18 1cff s TYR 99 CO 0.00 0.52 0.67 0.42 -1.57 0.00 0.00 175.55 175.59 1cff s ILE 100 N -1.53 4.60 0.06 2.71 1.01 -1.09 -4.86 121.20 122.09 1cff s ILE 100 Ca 0.30 -3.10 -0.29 0.00 0.00 0.00 0.00 60.65 57.55 1cff s ILE 100 Cb -0.11 -3.88 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 1cff s ILE 100 CO 0.23 -1.00 1.45 -1.28 0.00 0.00 0.00 174.94 174.33 1cff h SER 101 N 6.94 -1.00 0.00 3.58 0.87 -1.90 -3.39 113.55 118.65 1cff h SER 101 Ca 0.08 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1cff h SER 101 Cb 0.93 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1cff h SER 101 CO 0.78 -0.61 0.00 0.00 -0.53 0.00 0.00 176.83 176.48 1cff n ALA 102 N -2.61 0.00 0.02 6.23 0.00 -1.26 -4.82 120.51 118.07 1cff n ALA 102 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1cff n ALA 102 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.65 -0.74 0.00 0.00 -1.96 0.43 119.26 116.34 1cff h ALA 103 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1cff h ALA 103 Cb 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 1cff h ALA 103 CO 0.00 -0.70 -0.32 1.05 0.00 0.00 0.00 179.25 179.28 1cff h GLU 104 N -0.23 -0.08 0.17 0.00 9.09 -1.93 0.84 114.58 122.44 1cff h GLU 104 Ca 0.00 0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.43 1cff h GLU 104 Cb 0.25 0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.32 1cff h GLU 104 CO -0.13 -0.05 -0.52 -0.07 0.05 0.00 0.00 179.01 178.29 1cff h LEU 105 N -0.09 -1.54 -0.35 3.06 3.38 -1.68 0.99 115.31 119.08 1cff h LEU 105 Ca 0.30 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.50 1cff h LEU 105 Cb 0.57 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1cff h LEU 105 CO -0.79 -0.57 -0.21 -0.09 0.09 0.00 0.00 178.44 176.88 1cff h ARG 106 N -0.78 -0.15 0.63 1.13 2.43 0.15 1.58 114.38 119.37 1cff h ARG 106 Ca -0.01 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1cff h ARG 106 Cb 0.77 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1cff h ARG 106 CO -0.26 -0.10 -0.30 1.25 -1.51 0.00 0.00 179.97 179.05 1cff h HIS 107 N -0.16 -0.79 -0.04 2.20 2.76 0.13 -2.13 115.15 117.13 1cff h HIS 107 Ca 0.17 -0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 58.11 1cff h HIS 107 Cb 0.43 0.26 0.02 0.00 1.55 0.00 0.00 27.41 29.66 1cff h HIS 107 CO -0.42 -0.49 -0.83 -0.39 -1.30 0.00 0.00 177.93 174.51 1cff h VAL 108 N -0.87 1.32 0.00 5.26 -1.51 0.11 -2.81 116.25 117.75 1cff h VAL 108 Ca -0.09 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 1cff h VAL 108 Cb 0.65 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 1cff h VAL 108 CO 0.14 0.64 0.00 -0.03 -1.23 0.00 0.00 177.57 177.10 1cff h MET 109 N 0.27 0.00 0.05 5.19 -1.53 0.22 0.34 114.93 119.48 1cff h MET 109 Ca -0.09 0.00 -0.32 0.00 -3.44 0.00 0.00 59.70 55.85 1cff h MET 109 Cb 1.49 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.51 1cff h MET 109 CO 0.16 0.00 -1.77 1.15 0.14 0.00 0.00 176.91 176.59 1cff h THR 110 N 0.00 0.82 0.00 -0.77 2.02 -1.34 -3.20 112.91 110.44 1cff h THR 110 Ca 0.00 -2.61 -0.14 0.00 0.77 0.00 0.00 66.41 64.43 1cff h THR 110 Cb 0.53 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 1cff h THR 110 CO 0.00 0.67 -0.68 -1.13 0.37 0.00 0.00 175.52 174.75 1cff h ASN 111 N 0.03 0.00 -0.51 4.18 -1.24 -1.30 -3.29 115.58 113.46 1cff h ASN 111 Ca -0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1cff h ASN 111 Cb 2.02 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 41.04 1cff h ASN 111 CO 0.09 0.68 0.32 0.25 -1.29 0.00 0.00 177.43 177.48 1cff h LEU 112 N 0.00 0.61 0.00 0.34 5.85 -0.43 -3.46 115.31 118.22 1cff h LEU 112 Ca -0.01 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1cff h LEU 112 Cb 1.47 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1cff h LEU 112 CO 0.09 0.47 0.00 0.61 -0.34 0.00 0.00 178.44 179.26 1cff n GLY 113 N -1.17 -0.21 3.66 3.75 0.00 -1.24 -5.09 105.19 104.89 1cff n GLY 113 Ca 0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1cff n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cff s GLU 114 N 0.00 -1.00 -0.24 1.61 0.41 -1.21 -5.00 118.70 113.27 1cff s GLU 114 Ca 0.00 -0.22 0.10 0.00 -0.41 0.00 0.00 54.97 54.43 1cff s GLU 114 Cb 0.00 -1.64 0.44 0.00 -1.78 0.00 0.00 34.13 31.15 1cff s GLU 114 CO 0.00 -3.54 1.21 0.36 -0.49 0.00 0.00 175.26 172.80 1cff n LYS 115 N -4.60 2.42 -1.53 1.61 2.85 -1.26 -4.18 118.16 113.47 1cff n LYS 115 Ca 0.15 -3.65 -0.18 0.00 -1.05 0.00 0.00 58.31 53.58 1cff n LYS 115 Cb 0.60 -1.87 -0.15 0.00 -0.65 0.00 0.00 35.03 32.95 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1cff n LEU 116 N -0.91 0.08 -4.34 -5.58 4.77 -1.26 -4.88 117.00 104.88 1cff n LEU 116 Ca 0.29 -0.99 -0.29 0.00 -0.03 0.00 0.00 56.01 54.99 1cff n LEU 116 Cb 0.82 -1.07 0.27 0.00 -2.33 0.00 0.00 43.42 41.11 1cff n LEU 116 CO 0.15 -2.00 0.33 0.35 -1.33 0.00 0.00 177.39 174.89 1cff n THR 117 N 7.06 0.00 0.27 -5.08 -2.24 -1.26 -4.56 114.28 108.47 1cff n THR 117 Ca 0.58 -0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.21 1cff n THR 117 Cb 0.28 -0.94 0.73 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.03 0.00 0.19 3.42 3.58 -1.96 -1.28 116.42 117.33 1cff h ASP 118 Ca -0.53 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 1cff h ASP 118 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1cff h ASP 118 CO 0.39 0.11 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.43 1cff h GLU 119 N 0.00 -0.24 -0.36 0.28 5.08 -1.98 -2.64 114.58 114.72 1cff h GLU 119 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1cff h GLU 119 Cb 0.40 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1cff h GLU 119 CO 0.01 -0.16 0.24 1.05 -1.00 0.00 0.00 179.01 179.15 1cff h GLU 120 N -0.58 0.47 -0.92 2.33 4.11 -1.91 -2.28 114.58 115.80 1cff h GLU 120 Ca -0.03 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.49 1cff h GLU 120 Cb 0.19 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1cff h GLU 120 CO 0.04 0.31 0.59 -0.24 0.07 0.00 0.00 179.01 179.78 1cff h VAL 121 N 0.48 0.92 0.63 -1.06 3.04 -1.38 0.65 116.25 119.54 1cff h VAL 121 Ca 0.13 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.49 1cff h VAL 121 Cb -0.05 -0.02 0.01 0.00 -2.01 0.00 0.00 31.29 29.21 1cff h VAL 121 CO -0.03 0.16 -0.30 -0.78 -1.01 0.00 0.00 177.57 175.60 1cff h ASP 122 N 0.87 -0.72 0.10 3.17 3.58 -1.03 -1.98 116.42 120.41 1cff h ASP 122 Ca 0.44 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.81 1cff h ASP 122 Cb 0.50 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1cff h ASP 122 CO -0.20 -0.51 -0.33 -0.33 -2.88 0.00 0.00 179.24 174.98 1cff h GLU 123 N -0.86 0.34 0.36 0.28 5.08 -1.15 -2.23 114.58 116.40 1cff h GLU 123 Ca -0.09 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1cff h GLU 123 Cb 0.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1cff h GLU 123 CO 0.14 0.64 -0.46 1.98 -1.00 0.00 0.00 179.01 180.31 1cff h MET 124 N 0.29 -0.83 0.00 2.33 4.05 0.49 0.62 114.93 121.88 1cff h MET 124 Ca 0.04 0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1cff h MET 124 Cb 0.73 0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1cff h MET 124 CO 0.06 -0.55 -0.14 0.82 0.23 0.00 0.00 176.91 177.32 1cff h ILE 125 N -0.86 0.82 0.44 1.77 1.08 -1.35 0.38 117.51 119.79 1cff h ILE 125 Ca -0.03 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1cff h ILE 125 Cb 0.78 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1cff h ILE 125 CO -0.12 0.14 -0.21 0.03 -0.69 0.00 0.00 178.15 177.29 1cff h ARG 126 N 0.00 -0.57 -0.09 2.37 3.08 -0.58 0.46 114.38 119.04 1cff h ARG 126 Ca -0.00 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1cff h ARG 126 Cb 0.30 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1cff h ARG 126 CO 0.02 -0.26 -0.09 0.93 -1.07 0.00 0.00 179.97 179.49 1cff h GLU 127 N -0.90 0.14 -0.37 0.04 4.39 0.50 -0.63 114.58 117.74 1cff h GLU 127 Ca -0.06 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1cff h GLU 127 Cb 0.57 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1cff h GLU 127 CO 0.10 0.24 -0.11 0.00 -1.16 0.00 0.00 179.01 178.08 1cff h ALA 128 N 1.78 1.11 -1.58 3.43 0.00 0.06 -3.40 119.26 120.65 1cff h ALA 128 Ca 0.03 -0.29 -0.49 0.00 0.00 0.00 0.00 54.91 54.16 1cff h ALA 128 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1cff h ALA 128 CO 0.01 0.55 1.62 -3.47 0.00 0.00 0.00 179.25 177.97 1cff n ASP 129 N -4.18 2.37 0.00 0.00 -0.08 0.16 -4.84 116.55 109.97 1cff n ASP 129 Ca 0.01 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 1cff n ASP 129 Cb 0.34 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.26 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 7.93 0.00 -0.33 5.18 -0.00 -1.26 -4.25 119.36 126.63 1cff n ILE 130 Ca 0.37 0.39 0.18 0.00 -0.00 0.00 0.00 62.75 63.70 1cff n ILE 130 Cb 0.50 -1.20 0.39 0.00 -0.00 0.00 0.00 39.64 39.33 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 0.45 -2.80 4.38 3.04 -1.95 -3.46 116.42 116.07 1cff h ASP 131 Ca 0.00 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 1cff h ASP 131 Cb 0.00 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 1cff h ASP 131 CO 0.00 -0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 1cff n GLY 132 N -1.32 0.60 0.06 7.15 0.00 -1.26 -5.00 105.19 105.43 1cff n GLY 132 Ca 0.27 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.27 0.40 0.00 1.61 9.92 -1.26 -4.94 116.55 121.00 1cff n ASP 133 Ca 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1cff n ASP 133 Cb 0.47 1.22 0.00 0.00 -0.64 0.00 0.00 41.12 42.16 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 1.26 0.85 0.00 0.44 0.00 -1.26 -5.07 105.19 101.40 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 -3.44 1.61 7.27 -1.26 -5.06 117.38 116.49 1cff n GLN 135 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 1cff n GLN 135 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 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 1.96 -0.35 -0.13 1.69 0.11 -1.26 -4.47 120.40 117.94 1cff s VAL 136 Ca 0.00 -0.38 -0.14 0.00 -2.93 0.00 0.00 61.98 58.53 1cff s VAL 136 Cb 0.00 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1cff s VAL 136 CO 0.00 -0.40 0.32 0.54 -3.33 0.00 0.00 175.10 172.23 1cff s ASN 137 N 2.33 6.51 0.36 3.54 6.03 -1.26 -2.68 114.94 129.77 1cff s ASN 137 Ca 0.09 0.60 0.30 0.00 -1.03 0.00 0.00 52.86 52.82 1cff s ASN 137 Cb -0.15 -2.20 1.18 0.00 -3.03 0.00 0.00 41.25 37.06 1cff s ASN 137 CO -0.26 0.14 1.15 0.00 -2.03 0.00 0.00 177.10 176.10 1cff n TYR 138 N 3.24 0.30 -0.26 1.54 9.36 -1.26 0.16 117.16 130.23 1cff n TYR 138 Ca -0.12 0.30 0.33 0.00 3.32 0.00 0.00 57.90 61.72 1cff n TYR 138 Cb 0.52 -0.69 0.73 0.00 -0.63 0.00 0.00 39.34 39.27 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 0.00 0.14 2.98 -0.00 -1.97 0.69 114.58 116.42 1cff h GLU 139 Ca 0.67 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.69 1cff h GLU 139 Cb 2.41 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 31.15 1cff h GLU 139 CO -0.20 0.00 -1.75 0.93 -0.00 0.00 0.00 179.01 177.99 1cff h GLU 140 N 0.00 0.30 -0.53 1.06 5.08 0.11 -2.77 114.58 117.84 1cff h GLU 140 Ca 0.51 -0.52 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1cff h GLU 140 Cb 2.15 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 31.50 1cff h GLU 140 CO -0.01 1.25 -0.07 0.35 -1.00 0.00 0.00 179.01 179.53 1cff h PHE 141 N -0.03 -0.17 0.00 4.33 3.04 0.24 0.28 116.94 124.63 1cff h PHE 141 Ca -0.37 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.57 1cff h PHE 141 Cb 1.98 0.16 0.01 0.00 2.56 0.00 0.00 35.95 40.65 1cff h PHE 141 CO 0.10 -0.19 -0.24 -0.39 -2.02 0.00 0.00 178.31 175.58 1cff h VAL 142 N 0.05 1.56 -0.57 1.41 -1.51 -1.02 -2.15 116.25 114.03 1cff h VAL 142 Ca 0.26 -1.98 0.16 0.00 -1.23 0.00 0.00 66.70 63.92 1cff h VAL 142 Cb 0.41 2.83 -0.02 0.00 -2.13 0.00 0.00 31.29 32.37 1cff h VAL 142 CO -0.50 0.54 0.45 1.56 -1.23 0.00 0.00 177.57 178.39 1cff h GLN 143 N -0.54 0.00 0.15 5.19 4.20 -1.16 1.48 115.11 124.42 1cff h GLN 143 Ca -0.03 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.39 1cff h GLN 143 Cb 1.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.80 1cff h GLN 143 CO 0.05 0.00 -1.45 1.98 -0.67 0.00 0.00 178.83 178.74 1cff h MET 144 N 0.00 0.32 0.00 1.46 4.05 -0.47 -3.17 114.93 117.12 1cff h MET 144 Ca 0.27 -0.55 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1cff h MET 144 Cb 1.17 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 32.17 1cff h MET 144 CO -0.00 1.26 -0.23 -1.33 0.23 0.00 0.00 176.91 176.84 1cff n MET 145 N -3.83 0.21 -0.07 0.39 2.81 -0.47 -4.57 117.12 111.60 1cff n MET 145 Ca -0.23 0.38 -0.10 0.00 -1.81 0.00 0.00 57.70 55.94 1cff n MET 145 Cb 0.96 -1.19 -0.03 0.00 -0.71 0.00 0.00 33.22 32.25 1cff n MET 145 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1cff h THR 146 N -0.46 1.14 -5.31 2.03 1.35 0.15 -3.49 112.91 108.32 1cff h THR 146 Ca 0.00 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1cff h THR 146 Cb 0.23 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1cff h THR 146 CO 0.00 0.13 -0.89 0.00 -0.25 0.00 0.00 175.52 174.51 1cff n ALA 147 N -2.22 -3.24 0.00 6.62 0.00 0.16 -4.97 120.51 116.87 1cff n ALA 147 Ca -0.03 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1cff n ALA 147 Cb 0.09 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13