#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkb s GLU 4 N 2.87 2.99 -0.38 0.00 -1.05 -0.28 -1.92 118.70 120.93 2wkb s GLU 4 Ca 0.13 -0.81 -0.12 0.00 -0.15 0.00 0.00 54.97 54.03 2wkb s GLU 4 Cb -0.13 -2.38 0.02 0.00 -0.44 0.00 0.00 34.13 31.20 2wkb s GLU 4 CO -0.19 0.28 0.22 -1.17 0.95 0.00 0.00 175.26 175.36 2wkb s LEU 5 N 0.12 4.74 -0.28 1.83 2.96 0.25 -0.85 118.68 127.45 2wkb s LEU 5 Ca -0.10 -0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 52.82 2wkb s LEU 5 Cb -0.16 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2wkb s LEU 5 CO 0.06 -0.38 0.09 -0.63 -1.32 0.00 0.00 176.35 174.17 2wkb s ILE 6 N 1.59 4.22 -0.02 6.68 1.01 0.53 0.42 121.20 135.63 2wkb s ILE 6 Ca 0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 2wkb s ILE 6 Cb -0.19 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.20 2wkb s ILE 6 CO 0.07 0.16 0.32 0.28 0.00 0.00 0.00 174.94 175.77 2wkb s THR 7 N 1.56 0.05 -2.04 2.92 -1.32 -0.88 -0.39 115.64 115.56 2wkb s THR 7 Ca 0.04 -0.45 0.13 0.00 -1.21 0.00 0.00 61.69 60.21 2wkb s THR 7 Cb -0.16 -0.62 0.36 0.00 -1.51 0.00 0.00 72.50 70.57 2wkb s THR 7 CO 0.04 -0.24 1.32 -0.46 -2.21 0.00 0.00 174.62 173.06 2wkb n ASN 8 N 1.33 2.07 -4.74 8.08 0.23 -1.12 -1.01 115.26 120.10 2wkb n ASN 8 Ca -0.21 -1.97 -0.38 0.00 -0.53 0.00 0.00 54.58 51.50 2wkb n ASN 8 Cb 0.56 -0.25 -0.06 0.00 -2.08 0.00 0.00 39.78 37.95 2wkb n ASN 8 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2wkb s ILE 9 N -1.51 5.19 -0.21 1.53 1.01 -1.26 -4.68 121.20 121.27 2wkb s ILE 9 Ca 0.27 0.83 -0.15 0.00 0.00 0.00 0.00 60.65 61.60 2wkb s ILE 9 Cb 0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2wkb s ILE 9 CO 0.19 0.39 0.37 -0.55 0.00 0.00 0.00 174.94 175.34 2wkb s SER 10 N 0.26 6.40 0.05 3.58 0.15 -1.26 -4.91 113.70 117.96 2wkb s SER 10 Ca 0.23 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.35 2wkb s SER 10 Cb -0.15 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2wkb s SER 10 CO 0.09 -0.06 -0.05 0.27 1.20 0.00 0.00 173.24 174.69 2wkb s ILE 11 N 1.29 0.38 0.76 6.45 -4.36 -1.26 -5.14 121.20 119.32 2wkb s ILE 11 Ca 0.18 -1.41 -0.13 0.00 -0.26 0.00 0.00 60.65 59.03 2wkb s ILE 11 Cb -0.15 -0.98 0.05 0.00 1.25 0.00 0.00 42.46 42.64 2wkb s ILE 11 CO 0.08 -0.68 1.14 -2.84 0.24 0.00 0.00 174.94 172.88 2wkb s PRO 12 N -2.64 2.12 0.18 0.37 0.02 -1.26 -4.72 135.00 129.08 2wkb s PRO 12 Ca -0.03 1.47 -0.13 0.00 0.02 0.00 0.00 61.00 62.34 2wkb s PRO 12 Cb -0.02 -1.86 0.17 0.00 0.02 0.00 0.00 34.50 32.81 2wkb s PRO 12 CO -0.04 -1.79 1.75 -0.44 -0.33 0.00 0.00 177.00 176.15 2wkb h ASP 13 N -0.73 0.18 -0.72 2.53 3.32 -2.00 0.22 116.42 119.22 2wkb h ASP 13 Ca -0.45 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 2wkb h ASP 13 Cb 1.26 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 2wkb h ASP 13 CO 0.50 0.13 0.24 0.44 -1.72 0.00 0.00 179.24 178.83 2wkb h ASP 14 N 0.36 1.04 -0.16 6.45 3.32 -1.99 0.41 116.42 125.84 2wkb h ASP 14 Ca 0.24 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 2wkb h ASP 14 Cb 0.25 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wkb h ASP 14 CO -0.24 0.97 -0.46 0.50 -1.72 0.00 0.00 179.24 178.29 2wkb h LYS 15 N 1.06 0.72 -0.25 3.56 3.64 -1.79 -1.78 116.57 121.73 2wkb h LYS 15 Ca 0.23 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2wkb h LYS 15 Cb 0.29 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2wkb h LYS 15 CO -0.01 1.03 0.13 0.00 -2.27 0.00 0.00 179.45 178.32 2wkb h ALA 16 N 0.91 0.30 -0.64 5.00 0.00 -0.47 0.13 119.26 124.49 2wkb h ALA 16 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wkb h ALA 16 Cb 1.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2wkb h ALA 16 CO 0.10 -0.27 0.39 1.96 0.00 0.00 0.00 179.25 181.43 2wkb h GLN 17 N 0.27 0.86 -0.80 0.00 1.08 -0.80 -0.87 115.11 114.85 2wkb h GLN 17 Ca 0.10 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2wkb h GLN 17 Cb 0.02 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 2wkb h GLN 17 CO -0.07 0.61 0.33 -0.91 -0.95 0.00 0.00 178.83 177.84 2wkb h ASN 18 N 0.87 1.10 -0.23 1.46 2.35 -0.98 -0.89 115.58 119.25 2wkb h ASN 18 Ca 0.23 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2wkb h ASN 18 Cb -0.04 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 2wkb h ASN 18 CO -0.04 0.97 0.12 0.74 -1.65 0.00 0.00 177.43 177.56 2wkb h THR 19 N 1.17 1.14 -0.34 2.81 2.02 -0.38 -0.01 112.91 119.32 2wkb h THR 19 Ca 0.27 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2wkb h THR 19 Cb 0.21 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2wkb h THR 19 CO -0.02 0.13 -0.08 -0.07 0.37 0.00 0.00 175.52 175.85 2wkb h LEU 20 N 0.25 0.53 -0.45 2.58 3.38 -0.96 -1.24 115.31 119.40 2wkb h LEU 20 Ca 0.08 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2wkb h LEU 20 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2wkb h LEU 20 CO -0.01 0.66 0.07 -1.28 0.09 0.00 0.00 178.44 177.96 2wkb h SER 21 N 0.52 0.73 -0.84 -0.43 0.87 -0.90 0.10 113.55 113.60 2wkb h SER 21 Ca 0.10 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2wkb h SER 21 Cb 0.45 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2wkb h SER 21 CO 0.02 0.81 0.44 -0.33 -0.53 0.00 0.00 176.83 177.24 2wkb h GLU 22 N 0.62 1.19 -0.63 2.24 5.08 -0.59 -1.12 114.58 121.38 2wkb h GLU 22 Ca 0.14 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2wkb h GLU 22 Cb 0.40 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2wkb h GLU 22 CO 0.01 0.89 0.08 0.82 -1.00 0.00 0.00 179.01 179.81 2wkb h ILE 23 N 1.18 1.26 -0.80 3.13 2.04 -0.77 -1.36 117.51 122.19 2wkb h ILE 23 Ca 0.29 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 2wkb h ILE 23 Cb 0.07 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2wkb h ILE 23 CO -0.04 0.39 0.39 -0.33 0.00 0.00 0.00 178.15 178.56 2wkb h GLU 24 N 0.97 1.14 -0.80 2.37 5.08 -0.48 -0.68 114.58 122.18 2wkb h GLU 24 Ca 0.19 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2wkb h GLU 24 Cb 0.46 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2wkb h GLU 24 CO 0.02 0.87 0.38 -0.44 -1.00 0.00 0.00 179.01 178.84 2wkb h ASP 25 N 1.14 1.05 -0.51 1.42 3.32 -0.92 -1.90 116.42 120.02 2wkb h ASP 25 Ca 0.28 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2wkb h ASP 25 Cb 0.10 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2wkb h ASP 25 CO -0.04 0.89 0.20 0.00 -1.72 0.00 0.00 179.24 178.58 2wkb h ALA 26 N 1.20 0.66 -0.67 3.45 0.00 -0.57 0.11 119.26 123.43 2wkb h ALA 26 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wkb h ALA 26 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wkb h ALA 26 CO -0.03 0.27 0.44 0.82 0.00 0.00 0.00 179.25 180.74 2wkb h ILE 27 N 0.68 1.18 -0.14 0.00 2.04 -0.93 0.36 117.51 120.70 2wkb h ILE 27 Ca 0.17 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2wkb h ILE 27 Cb 0.20 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2wkb h ILE 27 CO -0.01 0.17 0.01 -1.28 0.00 0.00 0.00 178.15 177.04 2wkb h SER 28 N 0.91 0.24 -0.29 1.72 0.87 -0.93 -0.85 113.55 115.23 2wkb h SER 28 Ca 0.24 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2wkb h SER 28 Cb -0.09 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2wkb h SER 28 CO -0.05 0.48 0.06 0.78 -0.53 0.00 0.00 176.83 177.57 2wkb h ASN 29 N -0.00 0.44 0.54 6.23 2.35 -0.61 0.13 115.58 124.66 2wkb h ASN 29 Ca 0.04 -0.24 -0.25 0.00 -0.55 0.00 0.00 56.30 55.29 2wkb h ASN 29 Cb 0.35 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2wkb h ASN 29 CO 0.01 0.57 -1.13 0.40 -1.65 0.00 0.00 177.43 175.63 2wkb h ILE 30 N 0.29 1.47 0.00 2.81 2.04 -0.92 -2.93 117.51 120.27 2wkb h ILE 30 Ca 0.09 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.10 2wkb h ILE 30 Cb 0.31 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2wkb h ILE 30 CO 0.00 0.84 -0.03 -0.07 0.00 0.00 0.00 178.15 178.89 2wkb h LEU 31 N 0.12 0.00 -1.24 1.44 4.07 -1.19 -3.48 115.31 115.03 2wkb h LEU 31 Ca -0.11 -0.01 -0.39 0.00 0.08 0.00 0.00 57.88 57.46 2wkb h LEU 31 Cb 1.82 0.00 0.12 0.00 1.08 0.00 0.00 40.66 43.68 2wkb h LEU 31 CO 0.19 0.00 -0.74 0.61 -1.08 0.00 0.00 178.44 177.42 2wkb n GLY 32 N 1.28 -0.45 3.02 0.83 0.00 0.41 -5.02 105.19 105.25 2wkb n GLY 32 Ca 0.05 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 2wkb n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkb s LYS 33 N -5.98 0.43 0.37 1.61 -0.14 -0.92 -5.05 119.74 110.06 2wkb s LYS 33 Ca 0.33 -0.58 0.26 0.00 -1.36 0.00 0.00 55.97 54.61 2wkb s LYS 33 Cb -0.15 -0.21 0.74 0.00 -1.68 0.00 0.00 37.83 36.53 2wkb s LYS 33 CO 0.75 0.04 1.74 -1.00 -0.76 0.00 0.00 175.35 176.11 2wkb h PRO 34 N 4.88 0.00 -6.70 -1.68 0.13 -1.96 -3.41 132.00 123.27 2wkb h PRO 34 Ca -0.33 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.26 2wkb h PRO 34 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2wkb h PRO 34 CO 0.43 0.00 -0.87 1.33 -0.23 0.00 0.00 178.00 178.66 2wkb n VAL 35 N -2.74 -1.83 0.26 1.56 0.24 -1.26 -4.83 118.33 109.72 2wkb n VAL 35 Ca 0.04 -0.26 0.14 0.00 -2.04 0.00 0.00 64.34 62.22 2wkb n VAL 35 Cb 0.42 -1.97 0.62 0.00 -1.47 0.00 0.00 33.84 31.45 2wkb n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wkb h ALA 36 N 0.87 1.04 -0.42 2.33 0.00 -2.02 -3.00 119.26 118.06 2wkb h ALA 36 Ca -0.62 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 53.90 2wkb h ALA 36 Cb 1.38 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.85 2wkb h ALA 36 CO 0.71 0.12 -0.80 0.66 0.00 0.00 0.00 179.25 179.94 2wkb n TYR 37 N -3.27 1.47 -2.57 0.00 4.01 -1.26 -5.07 117.16 110.48 2wkb n TYR 37 Ca 0.00 -1.84 -0.38 0.00 -0.16 0.00 0.00 57.90 55.52 2wkb n TYR 37 Cb 0.34 -0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 2wkb n TYR 37 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2wkb s ILE 38 N -3.64 3.72 -0.04 -0.72 2.07 -1.14 -4.69 121.20 116.77 2wkb s ILE 38 Ca 0.42 1.52 -0.04 0.00 -1.41 0.00 0.00 60.65 61.14 2wkb s ILE 38 Cb 0.38 -3.88 -0.04 0.00 0.13 0.00 0.00 42.46 39.05 2wkb s ILE 38 CO -0.02 0.20 0.16 -0.04 -1.91 0.00 0.00 174.94 173.33 2wkb s MET 39 N -1.93 3.40 0.15 3.50 -1.94 -0.39 -5.06 119.30 117.04 2wkb s MET 39 Ca 0.50 -0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 54.17 2wkb s MET 39 Cb -0.26 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.45 2wkb s MET 39 CO 0.32 0.70 0.12 -1.54 -0.01 0.00 0.00 175.02 174.62 2wkb s SER 40 N -1.68 0.22 -0.07 3.03 1.04 -1.26 -1.44 113.70 113.53 2wkb s SER 40 Ca 0.24 -1.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.18 2wkb s SER 40 Cb -0.12 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.43 2wkb s SER 40 CO 0.14 -0.79 0.79 0.21 0.98 0.00 0.00 173.24 174.57 2wkb s ASN 41 N -3.06 -0.55 -0.30 7.02 2.47 -0.81 -4.96 114.94 114.75 2wkb s ASN 41 Ca 0.26 0.55 -0.01 0.00 0.42 0.00 0.00 52.86 54.08 2wkb s ASN 41 Cb 0.06 0.46 0.06 0.00 -1.45 0.00 0.00 41.25 40.38 2wkb s ASN 41 CO 0.04 -0.54 -0.00 -0.47 -3.72 0.00 0.00 177.10 172.40 2wkb s TYR 42 N -1.38 3.32 -0.48 0.43 5.04 -1.26 -0.59 117.35 122.43 2wkb s TYR 42 Ca -0.07 -2.08 -0.12 0.00 -2.44 0.00 0.00 57.07 52.36 2wkb s TYR 42 Cb -0.00 -2.21 0.11 0.00 0.35 0.00 0.00 41.96 40.20 2wkb s TYR 42 CO 0.05 -0.84 0.38 0.34 -1.34 0.00 0.00 175.55 174.14 2wkb s ASP 43 N 1.25 5.89 -0.39 4.32 -1.08 0.17 -4.98 116.67 121.85 2wkb s ASP 43 Ca -0.04 -1.71 -0.29 0.00 -0.52 0.00 0.00 52.55 49.99 2wkb s ASP 43 Cb -0.20 -2.09 0.01 0.00 -1.46 0.00 0.00 42.92 39.19 2wkb s ASP 43 CO -0.03 -0.71 1.26 -0.47 0.52 0.00 0.00 175.17 175.75 2wkb s TYR 44 N 1.48 2.69 -0.52 -5.34 5.04 -1.26 -2.07 117.35 117.37 2wkb s TYR 44 Ca 0.04 0.80 0.04 0.00 -2.44 0.00 0.00 57.07 55.51 2wkb s TYR 44 Cb -0.26 -4.17 0.14 0.00 0.35 0.00 0.00 41.96 38.01 2wkb s TYR 44 CO 0.02 -1.56 0.28 -0.65 -1.34 0.00 0.00 175.55 172.31 2wkb s GLN 45 N 4.44 1.81 0.54 4.97 -1.52 -0.18 -4.98 119.66 124.75 2wkb s GLN 45 Ca 0.54 -2.52 0.20 0.00 -1.95 0.00 0.00 55.36 51.64 2wkb s GLN 45 Cb -0.12 -3.00 1.43 0.00 -0.22 0.00 0.00 33.01 31.10 2wkb s GLN 45 CO 0.28 -1.15 2.18 1.57 -0.25 0.00 0.00 175.29 177.91 2wkb h LYS 46 N 6.41 0.00 -0.20 2.91 2.10 -1.83 -1.98 116.57 123.98 2wkb h LYS 46 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2wkb h LYS 46 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2wkb h LYS 46 CO 0.62 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 178.17 2wkb n ASN 47 N -4.31 1.82 -4.76 7.07 3.02 -1.26 -4.85 115.26 112.00 2wkb n ASN 47 Ca -0.03 -1.75 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 2wkb n ASN 47 Cb 0.09 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 2wkb n ASN 47 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wkb s LEU 48 N -1.52 4.35 0.07 3.41 2.96 -0.75 -4.98 118.68 122.21 2wkb s LEU 48 Ca 0.32 2.91 0.08 0.00 -0.22 0.00 0.00 54.13 57.22 2wkb s LEU 48 Cb 0.17 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 2wkb s LEU 48 CO 0.26 -0.85 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.08 2wkb s ARG 49 N -0.89 1.43 -0.03 1.98 0.52 -1.26 -4.55 118.95 116.14 2wkb s ARG 49 Ca 0.59 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2wkb s ARG 49 Cb -0.46 -1.64 0.03 0.00 0.52 0.00 0.00 34.95 33.40 2wkb s ARG 49 CO 0.51 0.41 -0.01 0.12 0.02 0.00 0.00 175.30 176.34 2wkb s PHE 50 N -0.90 0.43 -1.63 -0.53 5.36 -0.39 -4.82 117.98 115.50 2wkb s PHE 50 Ca 0.09 -0.05 -0.02 0.00 -0.96 0.00 0.00 56.93 55.98 2wkb s PHE 50 Cb -0.09 -0.47 0.01 0.00 -0.34 0.00 0.00 43.02 42.12 2wkb s PHE 50 CO 0.03 -0.14 0.30 0.45 -1.46 0.00 0.00 175.22 174.39 2wkb n SER 51 N 4.09 -5.84 0.00 6.13 2.88 -1.26 -2.07 113.62 117.56 2wkb n SER 51 Ca -0.27 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2wkb n SER 51 Cb 0.50 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 59.17 2wkb n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wkb n GLY 52 N -1.24 0.69 3.06 0.46 0.00 -1.26 -5.03 105.19 101.85 2wkb n GLY 52 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2wkb n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wkb s SER 53 N -2.02 1.58 -0.11 1.61 0.15 -0.88 -5.02 113.70 109.01 2wkb s SER 53 Ca 0.00 -0.25 0.14 0.00 0.70 0.00 0.00 55.95 56.54 2wkb s SER 53 Cb 0.00 -0.39 0.59 0.00 -1.71 0.00 0.00 66.02 64.50 2wkb s SER 53 CO 0.00 0.11 1.45 -3.20 1.20 0.00 0.00 173.24 172.80 2wkb n ASN 54 N 3.17 4.03 -4.69 5.45 5.15 -1.26 -1.26 115.26 125.85 2wkb n ASN 54 Ca -0.18 -2.42 -0.31 0.00 -0.60 0.00 0.00 54.58 51.07 2wkb n ASN 54 Cb 0.54 -0.54 0.15 0.00 -0.53 0.00 0.00 39.78 39.40 2wkb n ASN 54 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2wkb s GLU 55 N -1.89 1.25 0.04 1.20 2.12 -1.26 -4.87 118.70 115.29 2wkb s GLU 55 Ca 0.41 1.36 -0.38 0.00 0.36 0.00 0.00 54.97 56.72 2wkb s GLU 55 Cb 0.27 -1.77 -0.19 0.00 0.26 0.00 0.00 34.13 32.70 2wkb s GLU 55 CO 0.18 -2.40 1.06 0.41 -0.54 0.00 0.00 175.26 173.97 2wkb n GLY 56 N -0.23 -0.30 3.51 -1.50 0.00 -1.26 -4.85 105.19 100.56 2wkb n GLY 56 Ca 0.10 0.70 -0.14 0.00 0.00 0.00 0.00 46.02 46.68 2wkb n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wkb s TYR 57 N -0.04 -0.66 -0.08 1.61 5.04 -1.26 -4.77 117.35 117.20 2wkb s TYR 57 Ca 0.87 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 57.01 2wkb s TYR 57 Cb -1.17 0.26 0.02 0.00 0.35 0.00 0.00 41.96 41.42 2wkb s TYR 57 CO 0.55 -0.38 -0.07 0.00 -1.34 0.00 0.00 175.55 174.31 2wkb s PHE 59 N 1.37 2.97 -0.17 0.00 5.36 0.48 -1.30 117.98 126.71 2wkb s PHE 59 Ca -0.02 -0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 55.29 2wkb s PHE 59 Cb -0.14 -2.04 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2wkb s PHE 59 CO -0.04 -0.32 -0.09 0.08 -1.46 0.00 0.00 175.22 173.39 2wkb s VAL 60 N 1.00 3.28 -0.13 3.12 1.01 0.38 -0.35 120.40 128.72 2wkb s VAL 60 Ca 0.01 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2wkb s VAL 60 Cb -0.15 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.81 2wkb s VAL 60 CO 0.01 0.49 -0.22 -0.60 0.00 0.00 0.00 175.10 174.78 2wkb s ARG 61 N 0.74 2.95 -0.24 2.72 3.52 -0.03 -0.65 118.95 127.97 2wkb s ARG 61 Ca -0.04 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.67 2wkb s ARG 61 Cb -0.15 -2.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.87 2wkb s ARG 61 CO 0.02 0.02 0.01 -0.51 -0.81 0.00 0.00 175.30 174.03 2wkb s LEU 62 N 0.73 3.18 -0.12 -0.88 1.02 0.29 -1.12 118.68 121.78 2wkb s LEU 62 Ca -0.10 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 53.76 2wkb s LEU 62 Cb -0.16 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.22 2wkb s LEU 62 CO 0.00 -0.03 -0.21 -0.89 0.02 0.00 0.00 176.35 175.24 2wkb s THR 63 N 1.54 2.23 -1.50 5.49 2.01 -1.26 -0.80 115.64 123.36 2wkb s THR 63 Ca 0.06 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 2wkb s THR 63 Cb -0.15 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.50 2wkb s THR 63 CO 0.00 0.55 0.70 -1.20 -0.69 0.00 0.00 174.62 173.98 2wkb n SER 64 N 3.70 -5.87 -4.51 3.53 7.64 -0.02 -4.22 113.62 113.86 2wkb n SER 64 Ca -0.19 -0.36 -0.43 0.00 1.01 0.00 0.00 58.87 58.91 2wkb n SER 64 Cb 0.53 -4.73 -0.08 0.00 -1.01 0.00 0.00 64.21 58.92 2wkb n SER 64 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wkb s ILE 65 N -3.18 4.95 0.34 0.44 1.01 -1.26 -4.29 121.20 119.21 2wkb s ILE 65 Ca 0.37 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 2wkb s ILE 65 Cb -0.17 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.08 2wkb s ILE 65 CO 0.46 -0.47 1.54 0.61 0.00 0.00 0.00 174.94 177.09 2wkb n GLY 66 N 5.01 1.27 0.00 6.18 0.00 -1.26 -4.02 105.19 112.37 2wkb n GLY 66 Ca -0.04 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2wkb n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkb n GLY 67 N 1.26 1.11 3.77 -0.02 0.00 -1.26 -5.05 105.19 105.00 2wkb n GLY 67 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2wkb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wkb s ILE 68 N -2.00 5.09 0.32 -0.61 1.01 -1.26 -4.94 121.20 118.81 2wkb s ILE 68 Ca 0.00 0.92 -0.18 0.00 0.00 0.00 0.00 60.65 61.38 2wkb s ILE 68 Cb 0.00 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.74 2wkb s ILE 68 CO 0.00 0.45 0.81 0.54 0.00 0.00 0.00 174.94 176.73 2wkb s ASN 69 N -0.18 -0.08 0.43 3.58 2.20 -1.26 -4.98 114.94 114.65 2wkb s ASN 69 Ca 0.25 -0.91 0.24 0.00 -0.94 0.00 0.00 52.86 51.50 2wkb s ASN 69 Cb -0.16 0.76 1.25 0.00 -2.00 0.00 0.00 41.25 41.10 2wkb s ASN 69 CO 0.12 -1.48 1.75 0.03 -2.94 0.00 0.00 177.10 174.58 2wkb h ARG 70 N 2.00 0.26 0.00 3.55 3.08 -2.01 -0.22 114.38 121.04 2wkb h ARG 70 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2wkb h ARG 70 Cb 1.25 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2wkb h ARG 70 CO 0.34 0.17 0.00 -1.13 -1.07 0.00 0.00 179.97 178.28 2wkb n SER 71 N -4.55 0.49 0.00 7.04 3.41 -1.26 -4.37 113.62 114.38 2wkb n SER 71 Ca 0.28 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2wkb n SER 71 Cb 1.05 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2wkb n SER 71 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wkb n ASN 72 N -1.98 0.20 -0.19 4.04 0.23 -0.24 -4.82 115.26 112.50 2wkb n ASN 72 Ca 0.05 -0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.09 2wkb n ASN 72 Cb 0.33 0.04 0.10 0.00 -2.08 0.00 0.00 39.78 38.17 2wkb n ASN 72 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wkb h ASN 73 N 0.00 0.11 -0.02 0.53 -1.07 -1.35 0.19 115.58 113.96 2wkb h ASN 73 Ca 0.00 0.09 -0.12 0.00 0.07 0.00 0.00 56.30 56.34 2wkb h ASN 73 Cb 0.00 0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.34 2wkb h ASN 73 CO 0.00 0.07 -0.37 0.28 0.07 0.00 0.00 177.43 177.48 2wkb h SER 74 N 0.32 0.54 -0.62 6.14 0.02 -1.85 0.71 113.55 118.81 2wkb h SER 74 Ca 0.29 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2wkb h SER 74 Cb 0.39 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2wkb h SER 74 CO -0.33 0.87 0.04 -0.07 -1.14 0.00 0.00 176.83 176.19 2wkb h LEU 75 N 0.43 1.05 -0.35 5.07 -0.00 -1.64 0.44 115.31 120.32 2wkb h LEU 75 Ca 0.04 -0.28 -0.09 0.00 -0.00 0.00 0.00 57.88 57.55 2wkb h LEU 75 Cb 0.85 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 2wkb h LEU 75 CO 0.07 1.07 -0.13 0.25 -0.00 0.00 0.00 178.44 179.70 2wkb h LEU 76 N 0.99 0.73 -0.93 1.67 5.85 -0.65 -2.05 115.31 120.92 2wkb h LEU 76 Ca 0.18 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2wkb h LEU 76 Cb 0.51 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2wkb h LEU 76 CO 0.02 0.95 0.54 0.00 -0.34 0.00 0.00 178.44 179.61 2wkb h ALA 77 N 0.80 1.18 -0.09 1.25 0.00 -0.64 -0.91 119.26 120.85 2wkb h ALA 77 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wkb h ALA 77 Cb 0.66 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wkb h ALA 77 CO 0.04 0.66 0.00 0.22 0.00 0.00 0.00 179.25 180.18 2wkb h ASP 78 N 1.29 -0.03 -0.46 0.00 1.82 -0.79 -0.72 116.42 117.53 2wkb h ASP 78 Ca 0.33 0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.89 2wkb h ASP 78 Cb -0.02 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 2wkb h ASP 78 CO -0.06 -0.00 -0.07 0.50 -1.61 0.00 0.00 179.24 178.00 2wkb h LYS 79 N 0.03 0.91 -0.31 0.28 1.63 -0.92 -1.48 116.57 116.71 2wkb h LYS 79 Ca 0.04 -0.30 -0.09 0.00 -0.85 0.00 0.00 60.65 59.45 2wkb h LYS 79 Cb 0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2wkb h LYS 79 CO -0.07 0.94 -0.16 0.82 -3.45 0.00 0.00 179.45 177.54 2wkb h ILE 80 N 0.82 1.29 -0.69 2.00 2.04 -1.03 -1.40 117.51 120.54 2wkb h ILE 80 Ca 0.14 -1.26 0.13 0.00 1.00 0.00 0.00 64.86 64.87 2wkb h ILE 80 Cb 0.58 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 2wkb h ILE 80 CO 0.04 0.41 0.23 0.74 0.00 0.00 0.00 178.15 179.56 2wkb h THR 81 N 0.41 0.65 -0.49 -0.27 2.02 -0.88 -1.53 112.91 112.81 2wkb h THR 81 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2wkb h THR 81 Cb 0.68 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2wkb h THR 81 CO 0.05 0.07 0.32 0.11 0.37 0.00 0.00 175.52 176.43 2wkb h LYS 82 N 0.37 0.66 -0.49 6.66 1.79 -0.99 0.21 116.57 124.78 2wkb h LYS 82 Ca 0.37 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2wkb h LYS 82 Cb 0.56 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2wkb h LYS 82 CO -0.40 0.45 0.30 0.82 -1.08 0.00 0.00 179.45 179.54 2wkb h ILE 83 N 0.67 1.15 -0.30 1.86 2.04 -0.78 0.11 117.51 122.25 2wkb h ILE 83 Ca 0.18 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 2wkb h ILE 83 Cb -0.05 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2wkb h ILE 83 CO -0.04 0.15 -0.32 -0.07 0.00 0.00 0.00 178.15 177.88 2wkb h LEU 84 N 0.65 0.80 -1.03 1.44 3.38 -1.07 0.10 115.31 119.59 2wkb h LEU 84 Ca 0.17 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 2wkb h LEU 84 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2wkb h LEU 84 CO -0.03 1.11 0.02 0.77 0.09 0.00 0.00 178.44 180.40 2wkb h SER 85 N 0.51 0.68 0.45 -0.43 4.64 -0.79 0.54 113.55 119.14 2wkb h SER 85 Ca 0.05 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2wkb h SER 85 Cb 0.89 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2wkb h SER 85 CO 0.08 0.74 -0.22 -1.13 -0.87 0.00 0.00 176.83 175.43 2wkb h ASN 86 N 0.67 -0.51 0.77 4.97 -1.24 -0.74 -2.50 115.58 116.99 2wkb h ASN 86 Ca 0.14 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 2wkb h ASN 86 Cb 0.39 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 2wkb h ASN 86 CO 0.01 -0.32 -0.16 0.45 -1.29 0.00 0.00 177.43 176.13 2wkb h HIS 87 N -0.71 0.00 0.00 0.67 3.86 -0.77 -3.34 115.15 114.86 2wkb h HIS 87 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2wkb h HIS 87 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2wkb h HIS 87 CO 0.08 0.16 -0.59 1.28 0.86 0.00 0.00 177.93 179.72 2wkb n LEU 88 N -3.40 0.00 -1.22 2.43 4.32 0.18 -5.01 117.00 114.30 2wkb n LEU 88 Ca -0.00 -0.17 -0.14 0.00 -0.02 0.00 0.00 56.01 55.68 2wkb n LEU 88 Cb 0.35 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.11 2wkb n LEU 88 CO 0.31 0.00 -0.15 -1.20 -1.22 0.00 0.00 177.39 175.14 2wkb n SER 89 N -1.23 -4.60 -4.80 -1.43 7.64 -0.94 -5.00 113.62 103.26 2wkb n SER 89 Ca 0.00 0.25 -0.34 0.00 1.01 0.00 0.00 58.87 59.79 2wkb n SER 89 Cb 0.00 -3.45 -0.06 0.00 -1.01 0.00 0.00 64.21 59.69 2wkb n SER 89 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wkb s VAL 90 N -2.57 4.14 0.32 0.44 0.11 -1.26 -5.01 120.40 116.57 2wkb s VAL 90 Ca 0.00 1.46 -0.29 0.00 -2.93 0.00 0.00 61.98 60.22 2wkb s VAL 90 Cb 0.00 -3.66 -0.10 0.00 -1.53 0.00 0.00 36.38 31.09 2wkb s VAL 90 CO 0.00 -0.17 1.21 -0.54 -3.33 0.00 0.00 175.10 172.27 2wkb s LYS 91 N -2.88 4.44 0.46 1.54 1.02 -1.26 -4.47 119.74 118.59 2wkb s LYS 91 Ca 0.60 2.02 0.14 0.00 0.02 0.00 0.00 55.97 58.74 2wkb s LYS 91 Cb -0.14 -3.08 1.08 0.00 -0.52 0.00 0.00 37.83 35.17 2wkb s LYS 91 CO 0.18 -0.04 2.05 -1.35 -0.92 0.00 0.00 175.35 175.27 2wkb h PRO 92 N 3.48 0.29 0.00 -1.68 0.11 -1.95 0.80 132.00 133.06 2wkb h PRO 92 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wkb h PRO 92 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wkb h PRO 92 CO 0.66 0.19 0.00 2.89 -0.21 0.00 0.00 178.00 181.53 2wkb n ARG 93 N -4.48 0.20 -0.94 1.05 1.85 -1.26 -1.38 116.66 111.71 2wkb n ARG 93 Ca 0.04 0.41 -0.04 0.00 -1.00 0.00 0.00 57.85 57.26 2wkb n ARG 93 Cb 0.23 -1.87 0.29 0.00 -1.05 0.00 0.00 32.46 30.06 2wkb n ARG 93 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wkb n ARG 94 N -2.25 3.41 -4.53 2.89 5.12 0.26 -4.89 116.66 116.68 2wkb n ARG 94 Ca 0.02 -3.07 -0.34 0.00 -1.93 0.00 0.00 57.85 52.53 2wkb n ARG 94 Cb 0.24 -2.13 -0.12 0.00 -1.16 0.00 0.00 32.46 29.28 2wkb n ARG 94 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wkb s VAL 95 N -3.01 3.68 -0.05 1.55 1.01 -0.48 -0.95 120.40 122.15 2wkb s VAL 95 Ca 0.53 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2wkb s VAL 95 Cb 0.43 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2wkb s VAL 95 CO 0.12 0.52 -0.10 -0.47 0.00 0.00 0.00 175.10 175.17 2wkb s TYR 96 N 0.13 1.19 -0.16 5.22 5.04 -0.42 -5.00 117.35 123.35 2wkb s TYR 96 Ca -0.03 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.22 2wkb s TYR 96 Cb -0.14 -0.89 0.02 0.00 0.35 0.00 0.00 41.96 41.30 2wkb s TYR 96 CO 0.03 -0.21 -0.16 0.42 -1.34 0.00 0.00 175.55 174.30 2wkb s ILE 97 N 0.57 1.73 -0.06 3.14 1.01 -1.26 -0.47 121.20 125.86 2wkb s ILE 97 Ca -0.11 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2wkb s ILE 97 Cb -0.14 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2wkb s ILE 97 CO 0.02 0.48 -0.23 -0.70 0.00 0.00 0.00 174.94 174.51 2wkb s GLU 98 N 1.42 2.58 -0.08 2.79 2.12 0.18 -4.99 118.70 122.71 2wkb s GLU 98 Ca 0.05 -0.87 0.02 0.00 0.36 0.00 0.00 54.97 54.53 2wkb s GLU 98 Cb -0.13 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 2wkb s GLU 98 CO -0.11 0.40 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.81 2wkb s PHE 99 N -0.21 2.74 0.01 5.30 0.08 -1.26 -0.55 117.98 124.09 2wkb s PHE 99 Ca -0.02 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2wkb s PHE 99 Cb -0.13 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2wkb s PHE 99 CO 0.03 0.04 -0.03 1.03 -0.10 0.00 0.00 175.22 176.19 2wkb s ARG 100 N -0.34 0.24 -0.29 0.44 0.52 0.02 -4.96 118.95 114.59 2wkb s ARG 100 Ca 0.03 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2wkb s ARG 100 Cb -0.13 -0.02 0.08 0.00 0.52 0.00 0.00 34.95 35.40 2wkb s ARG 100 CO 0.02 -0.01 -0.03 0.34 0.02 0.00 0.00 175.30 175.64 2wkb s ASP 101 N -0.88 4.46 0.00 0.23 3.68 -1.26 -0.84 116.67 122.06 2wkb s ASP 101 Ca -0.08 -1.65 0.16 0.00 2.13 0.00 0.00 52.55 53.11 2wkb s ASP 101 Cb -0.06 -1.49 0.31 0.00 -1.45 0.00 0.00 42.92 40.23 2wkb s ASP 101 CO -0.00 -0.28 1.22 0.00 0.13 0.00 0.00 175.17 176.24 2wkb h SER 103 N 3.17 -1.05 0.67 0.00 4.64 -1.92 -1.22 113.55 117.83 2wkb h SER 103 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2wkb h SER 103 Cb 0.78 0.49 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2wkb h SER 103 CO 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 2wkb h ALA 104 N 0.71 1.00 0.00 5.18 0.00 -2.01 -3.25 119.26 120.90 2wkb h ALA 104 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wkb h ALA 104 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wkb h ALA 104 CO -0.50 0.00 -0.38 0.94 0.00 0.00 0.00 179.25 179.31 2wkb n GLN 105 N -2.73 0.10 -4.40 0.00 -0.06 -0.46 -4.97 117.38 104.87 2wkb n GLN 105 Ca 0.00 0.04 -0.24 0.00 -2.00 0.00 0.00 57.00 54.81 2wkb n GLN 105 Cb 0.22 -1.58 -0.11 0.00 -4.06 0.00 0.00 30.24 24.71 2wkb n GLN 105 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wkb s ASN 106 N -3.48 3.16 -0.08 1.69 0.01 -1.21 -5.13 114.94 109.90 2wkb s ASN 106 Ca 0.10 -0.92 -0.01 0.00 -0.71 0.00 0.00 52.86 51.32 2wkb s ASN 106 Cb 0.16 -0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.56 2wkb s ASN 106 CO 0.66 0.03 -0.00 -0.36 -1.51 0.00 0.00 177.10 175.91 2wkb s PHE 107 N -2.10 3.14 -0.01 2.20 0.08 -1.26 -5.01 117.98 115.03 2wkb s PHE 107 Ca 0.22 0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.48 2wkb s PHE 107 Cb -0.06 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2wkb s PHE 107 CO 0.10 0.46 -0.14 0.00 -0.10 0.00 0.00 175.22 175.54 2wkb s ALA 108 N -0.90 1.15 -0.03 5.36 0.00 -1.26 -5.14 121.76 120.94 2wkb s ALA 108 Ca 0.14 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2wkb s ALA 108 Cb -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2wkb s ALA 108 CO 0.03 0.28 -0.07 -0.06 0.00 0.00 0.00 175.76 175.93 2wkb s PHE 109 N -0.36 0.80 0.14 0.00 0.08 -1.26 -5.13 117.98 112.24 2wkb s PHE 109 Ca 0.05 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 56.77 2wkb s PHE 109 Cb -0.05 -0.60 -0.07 0.00 -0.57 0.00 0.00 43.02 41.73 2wkb s PHE 109 CO -0.00 -0.10 0.52 0.45 -0.10 0.00 0.00 175.22 175.99 2wkb s SER 110 N 0.31 6.79 0.60 1.36 0.15 -1.26 -4.96 113.70 116.69 2wkb s SER 110 Ca -0.04 1.03 0.30 0.00 0.70 0.00 0.00 55.95 57.93 2wkb s SER 110 Cb -0.09 -2.27 1.70 0.00 -1.71 0.00 0.00 66.02 63.65 2wkb s SER 110 CO 0.00 0.11 2.09 1.23 1.20 0.00 0.00 173.24 177.87 2wkb h GLY 111 N 3.58 0.00 2.00 9.45 0.00 -2.00 -2.38 103.07 113.71 2wkb h GLY 111 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2wkb h GLY 111 CO 0.66 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.68 2wkb h SER 112 N 0.00 0.00 0.05 0.19 4.64 -1.93 -2.11 113.55 114.39 2wkb h SER 112 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2wkb h SER 112 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2wkb h SER 112 CO -0.00 0.00 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.88 2wkb h LEU 113 N 0.00 0.00 -3.12 5.97 3.38 -1.84 -3.34 115.31 116.36 2wkb h LEU 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wkb h LEU 113 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wkb h LEU 113 CO 0.00 0.01 0.00 0.49 0.09 0.00 0.00 178.44 179.03 2wkb n PHE 114 N -3.44 0.59 -3.30 1.13 3.72 -0.79 -5.06 117.46 110.31 2wkb n PHE 114 Ca -0.03 -0.82 0.00 0.00 -0.05 0.00 0.00 57.45 56.55 2wkb n PHE 114 Cb 0.09 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2wkb n PHE 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wkb n GLY 115 N -0.56 1.12 0.00 1.37 0.00 -1.25 -5.18 105.19 100.68 2wkb n GLY 115 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2wkb n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93