#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 2.86 3.24 -0.40 0.00 -1.05 -0.11 -2.05 118.70 121.20 2wkb s GLU 4 Ca 0.15 -0.60 -0.12 0.00 -0.15 0.00 0.00 54.97 54.25 2wkb s GLU 4 Cb -0.11 -2.69 0.03 0.00 -0.44 0.00 0.00 34.13 30.92 2wkb s GLU 4 CO -0.22 0.37 0.26 -1.17 0.95 0.00 0.00 175.26 175.45 2wkb s LEU 5 N -0.03 4.97 -0.25 1.83 2.96 0.78 -1.05 118.68 127.88 2wkb s LEU 5 Ca -0.01 -1.05 -0.06 0.00 -0.22 0.00 0.00 54.13 52.79 2wkb s LEU 5 Cb -0.14 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2wkb s LEU 5 CO 0.03 -0.45 0.04 -0.63 -1.32 0.00 0.00 176.35 174.03 2wkb s ILE 6 N 1.59 3.94 0.02 6.68 1.01 0.38 -0.16 121.20 134.65 2wkb s ILE 6 Ca 0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 2wkb s ILE 6 Cb -0.20 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.42 2wkb s ILE 6 CO 0.07 0.30 0.35 0.28 0.00 0.00 0.00 174.94 175.94 2wkb s THR 7 N 1.55 0.06 -1.74 2.92 -1.32 -0.66 -0.97 115.64 115.47 2wkb s THR 7 Ca 0.05 -0.52 0.16 0.00 -1.21 0.00 0.00 61.69 60.17 2wkb s THR 7 Cb -0.15 -0.83 0.51 0.00 -1.51 0.00 0.00 72.50 70.51 2wkb s THR 7 CO 0.01 -0.28 1.41 -0.46 -2.21 0.00 0.00 174.62 173.09 2wkb n ASN 8 N 0.82 3.22 -4.70 8.08 0.23 -1.09 -1.14 115.26 120.68 2wkb n ASN 8 Ca -0.20 -2.12 -0.36 0.00 -0.53 0.00 0.00 54.58 51.38 2wkb n ASN 8 Cb 0.58 -0.41 -0.09 0.00 -2.08 0.00 0.00 39.78 37.78 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 -1.44 5.38 -0.14 1.53 1.01 -1.26 -4.74 121.20 121.54 2wkb s ILE 9 Ca 0.38 0.20 -0.19 0.00 0.00 0.00 0.00 60.65 61.04 2wkb s ILE 9 Cb 0.21 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2wkb s ILE 9 CO 0.23 0.39 0.51 -0.55 0.00 0.00 0.00 174.94 175.52 2wkb s SER 10 N 0.69 6.67 0.11 3.58 0.15 -1.26 -4.93 113.70 118.71 2wkb s SER 10 Ca 0.08 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.55 2wkb s SER 10 Cb -0.12 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 2wkb s SER 10 CO 0.01 -0.07 -0.04 0.27 1.20 0.00 0.00 173.24 174.61 2wkb s ILE 11 N 0.99 0.56 0.73 6.45 -4.36 -1.26 -5.14 121.20 119.16 2wkb s ILE 11 Ca 0.26 -1.92 -0.11 0.00 -0.26 0.00 0.00 60.65 58.62 2wkb s ILE 11 Cb -0.15 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.82 2wkb s ILE 11 CO 0.11 -0.79 1.08 -2.84 0.24 0.00 0.00 174.94 172.74 2wkb s PRO 12 N -3.88 2.60 0.26 0.37 0.02 -1.26 -4.69 135.00 128.42 2wkb s PRO 12 Ca 0.14 1.12 -0.01 0.00 0.02 0.00 0.00 61.00 62.27 2wkb s PRO 12 Cb 0.06 -1.94 0.54 0.00 0.02 0.00 0.00 34.50 33.18 2wkb s PRO 12 CO -0.03 -1.38 1.75 -0.44 -0.33 0.00 0.00 177.00 176.57 2wkb h ASP 13 N -0.79 0.45 -0.04 2.53 3.32 -2.01 -0.11 116.42 119.77 2wkb h ASP 13 Ca -0.44 0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.58 2wkb h ASP 13 Cb 1.22 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2wkb h ASP 13 CO 0.54 0.17 -0.41 -2.24 -1.72 0.00 0.00 179.24 175.57 2wkb h ASP 14 N 0.56 0.60 -0.31 6.45 3.04 -2.00 0.05 116.42 124.80 2wkb h ASP 14 Ca 0.47 -0.27 -0.11 0.00 -3.24 0.00 0.00 57.03 53.88 2wkb h ASP 14 Cb 0.70 -0.17 -0.01 0.00 -1.04 0.00 0.00 39.33 38.81 2wkb h ASP 14 CO -0.39 0.94 -0.20 0.11 -2.04 0.00 0.00 179.24 177.65 2wkb h LYS 15 N 0.46 0.79 -0.58 4.15 1.79 -1.68 -1.74 116.57 119.76 2wkb h LYS 15 Ca 0.04 -0.31 0.01 0.00 -2.18 0.00 0.00 60.65 58.21 2wkb h LYS 15 Cb 0.92 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.50 2wkb h LYS 15 CO 0.08 0.93 0.38 0.00 -1.08 0.00 0.00 179.45 179.76 2wkb h ALA 16 N 1.08 0.73 -0.61 3.86 0.00 -0.63 -0.40 119.26 123.29 2wkb h ALA 16 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wkb h ALA 16 Cb 0.71 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2wkb h ALA 16 CO 0.05 0.16 0.33 1.96 0.00 0.00 0.00 179.25 181.75 2wkb h GLN 17 N 0.77 0.86 -0.69 0.00 1.08 -0.77 -1.24 115.11 115.12 2wkb h GLN 17 Ca 0.21 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2wkb h GLN 17 Cb -0.08 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.15 2wkb h GLN 17 CO -0.05 0.66 0.44 -0.91 -0.95 0.00 0.00 178.83 178.01 2wkb h ASN 18 N 0.83 0.81 -0.27 1.46 2.35 -1.09 -0.17 115.58 119.51 2wkb h ASN 18 Ca 0.21 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 2wkb h ASN 18 Cb 0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2wkb h ASN 18 CO -0.03 0.61 0.04 0.74 -1.65 0.00 0.00 177.43 177.14 2wkb h THR 19 N 0.94 1.23 -0.69 2.81 2.02 -0.65 -1.34 112.91 117.22 2wkb h THR 19 Ca 0.25 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 2wkb h THR 19 Cb -0.07 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2wkb h THR 19 CO -0.05 0.25 0.15 -0.07 0.37 0.00 0.00 175.52 176.17 2wkb h LEU 20 N 0.25 1.05 -0.52 2.58 3.38 -0.99 -1.47 115.31 119.60 2wkb h LEU 20 Ca 0.08 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2wkb h LEU 20 Cb 0.34 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 2wkb h LEU 20 CO 0.01 1.02 0.14 -1.28 0.09 0.00 0.00 178.44 178.41 2wkb h SER 21 N 1.05 0.07 -0.13 -0.43 0.87 -0.77 -0.21 113.55 113.99 2wkb h SER 21 Ca 0.21 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.75 2wkb h SER 21 Cb 0.39 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2wkb h SER 21 CO 0.01 0.06 -0.24 -0.33 -0.53 0.00 0.00 176.83 175.80 2wkb h GLU 22 N 0.29 0.58 -0.39 2.24 5.08 -0.97 -0.19 114.58 121.22 2wkb h GLU 22 Ca 0.26 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2wkb h GLU 22 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2wkb h GLU 22 CO -0.31 0.77 -0.02 0.82 -1.00 0.00 0.00 179.01 179.28 2wkb h ILE 23 N 0.51 1.26 -0.66 3.13 2.04 -0.70 -0.80 117.51 122.29 2wkb h ILE 23 Ca 0.07 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.95 2wkb h ILE 23 Cb 0.69 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 2wkb h ILE 23 CO 0.05 0.35 0.37 -0.33 0.00 0.00 0.00 178.15 178.59 2wkb h GLU 24 N 0.52 0.67 -0.83 2.37 5.08 -0.84 -0.54 114.58 121.01 2wkb h GLU 24 Ca 0.11 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2wkb h GLU 24 Cb 0.50 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2wkb h GLU 24 CO 0.02 0.45 0.53 -0.44 -1.00 0.00 0.00 179.01 178.57 2wkb h ASP 25 N 0.69 0.86 -0.43 1.42 3.32 -0.84 -1.05 116.42 120.41 2wkb h ASP 25 Ca 0.29 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 2wkb h ASP 25 Cb 0.17 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wkb h ASP 25 CO -0.17 0.58 -0.25 0.00 -1.72 0.00 0.00 179.24 177.68 2wkb h ALA 26 N 1.36 0.61 -0.38 3.45 0.00 -0.38 0.48 119.26 124.39 2wkb h ALA 26 Ca 0.34 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2wkb h ALA 26 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wkb h ALA 26 CO -0.13 0.61 0.21 0.82 0.00 0.00 0.00 179.25 180.76 2wkb h ILE 27 N 0.75 1.01 -0.01 0.00 2.04 -0.76 -0.52 117.51 120.03 2wkb h ILE 27 Ca 0.09 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2wkb h ILE 27 Cb 0.83 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2wkb h ILE 27 CO 0.07 0.08 0.00 -1.28 0.00 0.00 0.00 178.15 177.02 2wkb h SER 28 N 0.43 0.01 -0.29 1.72 0.87 -0.94 -1.01 113.55 114.34 2wkb h SER 28 Ca 0.16 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2wkb h SER 28 Cb 0.03 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2wkb h SER 28 CO -0.09 0.25 0.18 0.78 -0.53 0.00 0.00 176.83 177.42 2wkb h ASN 29 N -0.23 0.36 0.57 6.23 2.35 -0.88 0.25 115.58 124.23 2wkb h ASN 29 Ca 0.00 -0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.48 2wkb h ASN 29 Cb 0.24 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2wkb h ASN 29 CO 0.00 0.31 -0.97 0.40 -1.65 0.00 0.00 177.43 175.52 2wkb h ILE 30 N 0.37 1.49 -0.01 2.81 2.04 -1.11 -3.14 117.51 119.97 2wkb h ILE 30 Ca 0.11 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.24 2wkb h ILE 30 Cb 0.02 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2wkb h ILE 30 CO -0.02 0.80 -0.21 0.18 0.00 0.00 0.00 178.15 178.90 2wkb n LEU 31 N -3.63 0.89 -3.55 1.44 4.32 -0.38 -4.99 117.00 111.11 2wkb n LEU 31 Ca -0.05 -0.20 -0.20 0.00 -0.02 0.00 0.00 56.01 55.54 2wkb n LEU 31 Cb 0.87 -0.14 0.07 0.00 -1.62 0.00 0.00 43.42 42.60 2wkb n LEU 31 CO 0.50 0.17 0.12 0.61 -1.22 0.00 0.00 177.39 177.56 2wkb n GLY 32 N 1.32 -0.40 3.53 -0.72 0.00 0.84 -4.99 105.19 104.77 2wkb n GLY 32 Ca 0.13 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 2wkb n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wkb s LYS 33 N -5.77 1.22 0.84 1.61 -2.85 -0.91 -5.05 119.74 108.83 2wkb s LYS 33 Ca 0.19 -0.51 -0.11 0.00 -1.00 0.00 0.00 55.97 54.53 2wkb s LYS 33 Cb -0.08 0.52 0.09 0.00 -2.06 0.00 0.00 37.83 36.30 2wkb s LYS 33 CO 0.75 -0.54 1.09 -2.14 0.10 0.00 0.00 175.35 174.61 2wkb s PRO 34 N -3.57 1.76 -0.42 1.78 0.02 -1.26 -4.43 135.00 128.87 2wkb s PRO 34 Ca 0.04 0.74 0.05 0.00 0.02 0.00 0.00 61.00 61.85 2wkb s PRO 34 Cb -0.02 -1.87 0.44 0.00 0.02 0.00 0.00 34.50 33.07 2wkb s PRO 34 CO -0.08 -1.87 1.29 1.33 -0.33 0.00 0.00 177.00 177.34 2wkb n VAL 35 N -3.62 2.64 -0.10 3.83 0.24 -1.26 -4.84 118.33 115.21 2wkb n VAL 35 Ca 0.07 -4.39 0.08 0.00 -2.04 0.00 0.00 64.34 58.06 2wkb n VAL 35 Cb 0.56 -1.20 0.42 0.00 -1.47 0.00 0.00 33.84 32.15 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 2.37 1.81 -0.39 2.33 0.00 -2.02 -2.86 119.26 120.51 2wkb h ALA 36 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2wkb h ALA 36 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wkb h ALA 36 CO 0.91 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.91 2wkb n TYR 37 N -4.48 0.51 -2.38 0.00 4.01 -1.26 -5.02 117.16 108.54 2wkb n TYR 37 Ca 0.08 -0.39 -0.41 0.00 -0.16 0.00 0.00 57.90 57.02 2wkb n TYR 37 Cb 0.23 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 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 -1.07 3.69 -0.08 -0.72 2.07 -1.08 -4.19 121.20 119.82 2wkb s ILE 38 Ca 0.30 1.35 -0.07 0.00 -1.41 0.00 0.00 60.65 60.81 2wkb s ILE 38 Cb 0.16 -3.86 -0.04 0.00 0.13 0.00 0.00 42.46 38.85 2wkb s ILE 38 CO 0.22 0.18 0.18 -0.04 -1.91 0.00 0.00 174.94 173.57 2wkb s MET 39 N 0.20 3.49 0.10 3.50 -1.94 0.04 -5.01 119.30 119.68 2wkb s MET 39 Ca 0.55 -0.11 0.01 0.00 -1.71 0.00 0.00 55.69 54.43 2wkb s MET 39 Cb -0.32 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 2wkb s MET 39 CO 0.34 0.74 -0.04 -1.54 -0.01 0.00 0.00 175.02 174.51 2wkb s SER 40 N -1.25 0.95 -0.14 3.03 1.04 -1.26 -0.85 113.70 115.23 2wkb s SER 40 Ca 0.19 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.29 2wkb s SER 40 Cb -0.13 0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.21 2wkb s SER 40 CO 0.08 -0.53 0.77 0.21 0.98 0.00 0.00 173.24 174.76 2wkb s ASN 41 N -3.04 -0.61 -0.38 7.02 2.47 -0.87 -4.97 114.94 114.56 2wkb s ASN 41 Ca 0.13 0.84 -0.05 0.00 0.42 0.00 0.00 52.86 54.21 2wkb s ASN 41 Cb 0.06 0.74 0.08 0.00 -1.45 0.00 0.00 41.25 40.68 2wkb s ASN 41 CO -0.04 -0.44 0.16 -0.47 -3.72 0.00 0.00 177.10 172.59 2wkb s TYR 42 N -0.70 3.40 -0.44 0.43 5.04 -1.26 -0.16 117.35 123.67 2wkb s TYR 42 Ca -0.06 -1.91 -0.08 0.00 -2.44 0.00 0.00 57.07 52.58 2wkb s TYR 42 Cb -0.02 -2.78 0.10 0.00 0.35 0.00 0.00 41.96 39.61 2wkb s TYR 42 CO 0.05 -0.87 0.28 0.34 -1.34 0.00 0.00 175.55 174.01 2wkb s ASP 43 N 1.74 5.59 -0.25 4.32 -1.08 0.77 -5.01 116.67 122.74 2wkb s ASP 43 Ca 0.02 -1.75 -0.29 0.00 -0.52 0.00 0.00 52.55 50.01 2wkb s ASP 43 Cb -0.22 -1.97 0.01 0.00 -1.46 0.00 0.00 42.92 39.29 2wkb s ASP 43 CO -0.01 -0.60 1.06 -0.47 0.52 0.00 0.00 175.17 175.68 2wkb s TYR 44 N 1.35 3.26 -0.43 -5.34 5.04 -1.26 -1.66 117.35 118.30 2wkb s TYR 44 Ca 0.05 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 56.06 2wkb s TYR 44 Cb -0.24 -3.41 0.13 0.00 0.35 0.00 0.00 41.96 38.79 2wkb s TYR 44 CO -0.00 -0.63 0.23 -0.65 -1.34 0.00 0.00 175.55 173.16 2wkb s GLN 45 N 3.36 1.27 0.52 4.97 -1.52 -0.29 -4.96 119.66 123.01 2wkb s GLN 45 Ca 0.45 -1.97 0.18 0.00 -1.95 0.00 0.00 55.36 52.07 2wkb s GLN 45 Cb -0.14 -2.34 1.33 0.00 -0.22 0.00 0.00 33.01 31.64 2wkb s GLN 45 CO 0.09 -1.15 2.15 -0.22 -0.25 0.00 0.00 175.29 175.91 2wkb h LYS 46 N 6.79 0.00 -0.62 2.91 3.64 -1.85 -1.92 116.57 125.53 2wkb h LYS 46 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wkb h LYS 46 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2wkb h LYS 46 CO 0.48 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.78 2wkb n ASN 47 N -4.39 3.28 -4.73 4.20 3.02 -1.26 -4.85 115.26 110.53 2wkb n ASN 47 Ca -0.03 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.10 2wkb n ASN 47 Cb 0.11 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.00 4.36 0.15 3.41 2.96 -0.72 -4.98 118.68 122.87 2wkb s LEU 48 Ca 0.41 2.83 0.11 0.00 -0.22 0.00 0.00 54.13 57.25 2wkb s LEU 48 Cb 0.21 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 2wkb s LEU 48 CO 0.28 -0.90 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.03 2wkb s ARG 49 N 0.46 1.41 -0.03 1.98 0.52 -1.26 -4.49 118.95 117.53 2wkb s ARG 49 Ca 0.68 -1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2wkb s ARG 49 Cb -0.47 -1.81 0.02 0.00 0.52 0.00 0.00 34.95 33.21 2wkb s ARG 49 CO 0.38 0.41 0.05 0.12 0.02 0.00 0.00 175.30 176.29 2wkb s PHE 50 N -1.31 -0.02 -1.40 -0.53 5.36 -0.55 -4.87 117.98 114.67 2wkb s PHE 50 Ca 0.15 0.19 -0.05 0.00 -0.96 0.00 0.00 56.93 56.26 2wkb s PHE 50 Cb -0.09 -0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.47 2wkb s PHE 50 CO 0.07 -0.09 0.38 0.45 -1.46 0.00 0.00 175.22 174.58 2wkb n SER 51 N 3.91 -4.90 0.00 6.13 2.88 -1.26 -1.74 113.62 118.64 2wkb n SER 51 Ca -0.24 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2wkb n SER 51 Cb 0.53 -4.03 0.00 0.00 -0.75 0.00 0.00 64.21 59.96 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 -1.22 0.65 3.05 0.46 0.00 -1.26 -5.03 105.19 101.85 2wkb n GLY 52 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.15 1.36 -0.13 1.61 0.15 -0.71 -5.02 113.70 108.81 2wkb s SER 53 Ca 0.00 -0.21 0.15 0.00 0.70 0.00 0.00 55.95 56.59 2wkb s SER 53 Cb 0.00 -0.21 0.68 0.00 -1.71 0.00 0.00 66.02 64.78 2wkb s SER 53 CO 0.00 0.13 1.57 -3.20 1.20 0.00 0.00 173.24 172.93 2wkb n ASN 54 N 2.92 4.61 -4.69 5.45 5.15 -1.26 -1.47 115.26 125.96 2wkb n ASN 54 Ca -0.15 -2.52 -0.32 0.00 -0.60 0.00 0.00 54.58 51.00 2wkb n ASN 54 Cb 0.55 -0.58 0.15 0.00 -0.53 0.00 0.00 39.78 39.37 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 -2.02 1.29 0.08 1.20 2.12 -1.26 -4.87 118.70 115.24 2wkb s GLU 55 Ca 0.47 1.56 -0.36 0.00 0.36 0.00 0.00 54.97 56.99 2wkb s GLU 55 Cb 0.32 -1.76 -0.18 0.00 0.26 0.00 0.00 34.13 32.77 2wkb s GLU 55 CO 0.20 -2.43 1.12 0.41 -0.54 0.00 0.00 175.26 174.02 2wkb n GLY 56 N 0.12 -0.11 3.50 -1.50 0.00 -1.26 -4.88 105.19 101.05 2wkb n GLY 56 Ca 0.12 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.65 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 0.01 -0.64 -0.07 1.61 5.04 -1.26 -4.70 117.35 117.33 2wkb s TYR 57 Ca 0.83 1.52 0.02 0.00 -2.44 0.00 0.00 57.07 56.99 2wkb s TYR 57 Cb -1.05 0.24 0.02 0.00 0.35 0.00 0.00 41.96 41.51 2wkb s TYR 57 CO 0.53 -0.35 -0.12 0.00 -1.34 0.00 0.00 175.55 174.28 2wkb s PHE 59 N 0.85 2.93 -0.24 0.00 5.36 -0.15 -1.12 117.98 125.62 2wkb s PHE 59 Ca -0.11 -0.89 -0.06 0.00 -0.96 0.00 0.00 56.93 54.92 2wkb s PHE 59 Cb -0.15 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2wkb s PHE 59 CO 0.01 -0.48 0.02 0.08 -1.46 0.00 0.00 175.22 173.40 2wkb s VAL 60 N 1.23 3.91 -0.20 3.12 1.01 0.51 -0.47 120.40 129.50 2wkb s VAL 60 Ca 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2wkb s VAL 60 Cb -0.14 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2wkb s VAL 60 CO -0.02 0.38 -0.09 -0.60 0.00 0.00 0.00 175.10 174.76 2wkb s ARG 61 N 1.53 3.27 -0.25 2.72 3.52 -0.21 -0.46 118.95 129.07 2wkb s ARG 61 Ca 0.06 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 54.91 2wkb s ARG 61 Cb -0.15 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 2wkb s ARG 61 CO 0.01 -0.16 0.05 -0.51 -0.81 0.00 0.00 175.30 173.88 2wkb s LEU 62 N 1.33 3.40 -0.15 -0.88 1.02 0.36 -0.94 118.68 122.82 2wkb s LEU 62 Ca 0.04 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 53.89 2wkb s LEU 62 Cb -0.14 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.18 2wkb s LEU 62 CO -0.05 -0.05 -0.15 -0.89 0.02 0.00 0.00 176.35 175.23 2wkb s THR 63 N 1.58 2.69 -1.22 5.49 2.01 -1.26 -0.96 115.64 123.97 2wkb s THR 63 Ca 0.06 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2wkb s THR 63 Cb -0.15 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.22 2wkb s THR 63 CO 0.02 0.51 0.99 -1.20 -0.69 0.00 0.00 174.62 174.26 2wkb n SER 64 N 4.04 -2.26 -4.77 3.53 7.64 -0.36 -4.47 113.62 116.98 2wkb n SER 64 Ca -0.19 -0.63 -0.39 0.00 1.01 0.00 0.00 58.87 58.67 2wkb n SER 64 Cb 0.52 -5.05 -0.06 0.00 -1.01 0.00 0.00 64.21 58.61 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 -3.38 4.83 0.30 0.44 -1.09 -1.26 -4.39 121.20 116.65 2wkb s ILE 65 Ca 0.04 1.30 -0.28 0.00 -2.23 0.00 0.00 60.65 59.48 2wkb s ILE 65 Cb -0.02 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.81 2wkb s ILE 65 CO 0.74 0.44 1.02 -0.83 -1.23 0.00 0.00 174.94 175.08 2wkb s GLY 66 N -0.39 2.99 0.00 6.18 0.00 -1.26 -4.04 107.32 110.79 2wkb s GLY 66 Ca 0.32 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.77 2wkb s GLY 66 CO 0.19 1.27 0.00 0.61 0.00 0.00 0.00 173.10 175.16 2wkb n GLY 67 N 1.04 0.30 3.60 0.20 0.00 -1.26 -5.03 105.19 104.04 2wkb n GLY 67 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.11 0.15 -0.61 1.09 -1.26 -4.96 121.20 116.73 2wkb s ILE 68 Ca 0.00 0.12 -0.08 0.00 -1.10 0.00 0.00 60.65 59.59 2wkb s ILE 68 Cb 0.00 -3.15 -0.01 0.00 -1.06 0.00 0.00 42.46 38.24 2wkb s ILE 68 CO 0.00 -0.09 0.25 0.54 -0.10 0.00 0.00 174.94 175.54 2wkb s ASN 69 N 7.58 0.08 0.45 3.58 6.03 -1.26 -5.05 114.94 126.34 2wkb s ASN 69 Ca 0.95 -0.88 0.19 0.00 -1.03 0.00 0.00 52.86 52.09 2wkb s ASN 69 Cb -0.31 0.41 1.14 0.00 -3.03 0.00 0.00 41.25 39.46 2wkb s ASN 69 CO 0.35 -0.86 1.91 0.03 -2.03 0.00 0.00 177.10 176.50 2wkb h ARG 70 N 2.60 0.32 -0.00 3.55 3.08 -2.02 0.66 114.38 122.57 2wkb h ARG 70 Ca -0.32 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2wkb h ARG 70 Cb 1.22 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2wkb h ARG 70 CO 0.50 0.21 -0.01 0.43 -1.07 0.00 0.00 179.97 180.03 2wkb n SER 71 N -4.46 0.05 0.00 7.04 7.64 -1.26 -4.12 113.62 118.52 2wkb n SER 71 Ca 0.15 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2wkb n SER 71 Cb 0.62 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2wkb n SER 71 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2wkb n ASN 72 N -1.13 2.51 -0.14 6.43 2.04 0.20 -4.81 115.26 120.35 2wkb n ASN 72 Ca 0.18 0.00 -0.08 0.00 -0.44 0.00 0.00 54.58 54.24 2wkb n ASN 72 Cb 0.19 0.49 0.07 0.00 -2.53 0.00 0.00 39.78 38.00 2wkb n ASN 72 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 2wkb h ASN 73 N 0.00 0.90 -0.25 0.53 2.35 -1.64 -1.40 115.58 116.07 2wkb h ASN 73 Ca 0.00 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 2wkb h ASN 73 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2wkb h ASN 73 CO 0.00 1.02 -0.13 -1.28 -1.65 0.00 0.00 177.43 175.39 2wkb h SER 74 N 0.81 0.54 -0.49 5.81 0.87 -1.86 0.93 113.55 120.17 2wkb h SER 74 Ca 0.13 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 2wkb h SER 74 Cb 0.63 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2wkb h SER 74 CO 0.04 0.84 0.26 -0.07 -0.53 0.00 0.00 176.83 177.37 2wkb h LEU 75 N 0.25 0.64 -0.13 2.23 -0.00 -1.84 0.21 115.31 116.66 2wkb h LEU 75 Ca 0.05 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 2wkb h LEU 75 Cb 0.64 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2wkb h LEU 75 CO 0.04 0.53 -0.15 0.25 -0.00 0.00 0.00 178.44 179.11 2wkb h LEU 76 N 0.72 0.36 -1.07 1.67 5.85 -0.98 -1.59 115.31 120.27 2wkb h LEU 76 Ca 0.18 -0.50 0.14 0.00 0.84 0.00 0.00 57.88 58.54 2wkb h LEU 76 Cb 0.05 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.90 2wkb h LEU 76 CO -0.03 0.79 0.62 0.00 -0.34 0.00 0.00 178.44 179.48 2wkb h ALA 77 N 0.58 1.62 0.08 1.25 0.00 -0.59 -0.79 119.26 121.41 2wkb h ALA 77 Ca 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wkb h ALA 77 Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wkb h ALA 77 CO 0.04 0.10 -0.04 0.22 0.00 0.00 0.00 179.25 179.57 2wkb h ASP 78 N 0.88 -0.09 -0.68 0.00 1.82 -0.74 -0.45 116.42 117.17 2wkb h ASP 78 Ca 0.50 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 2wkb h ASP 78 Cb 0.63 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 2wkb h ASP 78 CO -0.28 0.07 0.44 0.50 -1.61 0.00 0.00 179.24 178.37 2wkb h LYS 79 N -0.24 0.90 -0.27 0.28 1.63 -0.85 -0.86 116.57 117.15 2wkb h LYS 79 Ca -0.01 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2wkb h LYS 79 Cb 0.21 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2wkb h LYS 79 CO 0.02 0.61 0.11 0.82 -3.45 0.00 0.00 179.45 177.55 2wkb h ILE 80 N 0.92 1.17 -0.60 2.00 2.04 -1.06 -1.80 117.51 120.19 2wkb h ILE 80 Ca 0.25 -0.53 0.11 0.00 1.00 0.00 0.00 64.86 65.68 2wkb h ILE 80 Cb -0.09 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 2wkb h ILE 80 CO -0.05 0.18 0.16 0.74 0.00 0.00 0.00 178.15 179.18 2wkb h THR 81 N 0.29 0.68 -0.60 -0.27 2.02 -0.53 -1.42 112.91 113.09 2wkb h THR 81 Ca 0.09 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2wkb h THR 81 Cb 0.18 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2wkb h THR 81 CO -0.01 0.06 0.36 0.11 0.37 0.00 0.00 175.52 176.41 2wkb h LYS 82 N 0.31 0.81 -0.31 6.66 1.79 -0.70 -1.28 116.57 123.84 2wkb h LYS 82 Ca 0.31 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.72 2wkb h LYS 82 Cb 0.44 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2wkb h LYS 82 CO -0.37 0.59 0.19 0.82 -1.08 0.00 0.00 179.45 179.60 2wkb h ILE 83 N 0.81 1.05 -0.50 1.86 2.04 -0.99 0.10 117.51 121.87 2wkb h ILE 83 Ca 0.21 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.82 2wkb h ILE 83 Cb -0.02 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2wkb h ILE 83 CO -0.04 0.07 -0.16 -0.07 0.00 0.00 0.00 178.15 177.95 2wkb h LEU 84 N 0.39 1.00 -1.06 1.44 3.38 -0.99 0.82 115.31 120.28 2wkb h LEU 84 Ca 0.12 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 2wkb h LEU 84 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2wkb h LEU 84 CO -0.05 1.15 -0.33 0.77 0.09 0.00 0.00 178.44 180.08 2wkb h SER 85 N 0.85 0.25 0.45 -0.43 4.64 -1.05 0.49 113.55 118.76 2wkb h SER 85 Ca 0.12 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2wkb h SER 85 Cb 0.73 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2wkb h SER 85 CO 0.06 0.57 -0.22 -1.13 -0.87 0.00 0.00 176.83 175.24 2wkb h ASN 86 N 0.22 -0.51 0.94 4.97 -1.24 -0.66 -1.49 115.58 117.81 2wkb h ASN 86 Ca 0.03 -0.09 -0.22 0.00 0.71 0.00 0.00 56.30 56.73 2wkb h ASN 86 Cb 0.69 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.85 2wkb h ASN 86 CO 0.05 -0.15 -1.05 0.45 -1.29 0.00 0.00 177.43 175.45 2wkb h HIS 87 N -0.93 0.06 -0.00 0.67 3.86 -0.74 -3.37 115.15 114.70 2wkb h HIS 87 Ca -0.06 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2wkb h HIS 87 Cb 0.58 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2wkb h HIS 87 CO 0.01 1.04 -0.39 1.28 0.86 0.00 0.00 177.93 180.72 2wkb n LEU 88 N -3.37 0.76 -2.12 2.43 4.32 0.17 -4.99 117.00 114.20 2wkb n LEU 88 Ca -0.01 -0.59 -0.16 0.00 -0.02 0.00 0.00 56.01 55.22 2wkb n LEU 88 Cb 0.95 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.73 2wkb n LEU 88 CO 0.48 0.17 -0.19 -1.20 -1.22 0.00 0.00 177.39 175.42 2wkb n SER 89 N -0.89 -4.69 -4.77 -1.43 7.64 -0.56 -4.97 113.62 103.93 2wkb n SER 89 Ca 0.03 0.19 -0.38 0.00 1.01 0.00 0.00 58.87 59.72 2wkb n SER 89 Cb 0.18 -4.04 -0.04 0.00 -1.01 0.00 0.00 64.21 59.30 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 -2.68 3.73 0.35 0.44 0.11 -1.26 -5.00 120.40 116.09 2wkb s VAL 90 Ca 0.00 1.48 -0.27 0.00 -2.93 0.00 0.00 61.98 60.25 2wkb s VAL 90 Cb 0.00 -3.84 -0.09 0.00 -1.53 0.00 0.00 36.38 30.92 2wkb s VAL 90 CO 0.00 0.15 1.22 -0.54 -3.33 0.00 0.00 175.10 172.60 2wkb s LYS 91 N -2.07 4.27 0.30 1.54 1.02 -1.26 -4.42 119.74 119.12 2wkb s LYS 91 Ca 0.52 1.99 0.05 0.00 0.02 0.00 0.00 55.97 58.55 2wkb s LYS 91 Cb -0.25 -2.92 0.71 0.00 -0.52 0.00 0.00 37.83 34.85 2wkb s LYS 91 CO 0.31 -0.18 1.78 -1.35 -0.92 0.00 0.00 175.35 174.99 2wkb h PRO 92 N 3.14 0.75 0.00 -1.68 0.11 -1.94 0.45 132.00 132.82 2wkb h PRO 92 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2wkb h PRO 92 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wkb h PRO 92 CO 0.64 0.50 0.00 2.89 -0.21 0.00 0.00 178.00 181.82 2wkb n ARG 93 N -4.77 0.14 -0.97 1.05 1.85 -1.26 -1.54 116.66 111.16 2wkb n ARG 93 Ca 0.23 0.39 -0.11 0.00 -1.00 0.00 0.00 57.85 57.35 2wkb n ARG 93 Cb 0.55 -1.77 0.20 0.00 -1.05 0.00 0.00 32.46 30.39 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 -2.03 2.16 -5.01 2.89 5.12 0.14 -4.86 116.66 115.07 2wkb n ARG 94 Ca 0.02 -3.10 -0.32 0.00 -1.93 0.00 0.00 57.85 52.52 2wkb n ARG 94 Cb 0.20 -1.98 -0.16 0.00 -1.16 0.00 0.00 32.46 29.36 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 -3.24 2.55 -0.05 1.55 1.01 -0.59 -1.19 120.40 120.45 2wkb s VAL 95 Ca 0.50 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2wkb s VAL 95 Cb 0.43 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2wkb s VAL 95 CO 0.05 0.55 -0.09 -0.47 0.00 0.00 0.00 175.10 175.14 2wkb s TYR 96 N 0.23 1.09 -0.13 5.22 5.04 -0.27 -5.00 117.35 123.52 2wkb s TYR 96 Ca -0.12 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 2wkb s TYR 96 Cb -0.16 -0.82 0.02 0.00 0.35 0.00 0.00 41.96 41.34 2wkb s TYR 96 CO 0.07 -0.19 -0.12 0.42 -1.34 0.00 0.00 175.55 174.38 2wkb s ILE 97 N 0.58 1.37 -0.05 3.14 1.01 -1.26 -0.37 121.20 125.63 2wkb s ILE 97 Ca -0.10 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2wkb s ILE 97 Cb -0.13 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 2wkb s ILE 97 CO 0.02 0.42 -0.23 -0.70 0.00 0.00 0.00 174.94 174.45 2wkb s GLU 98 N 1.40 2.44 -0.20 2.79 2.12 0.39 -4.98 118.70 122.66 2wkb s GLU 98 Ca 0.01 -0.87 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 2wkb s GLU 98 Cb -0.13 -2.17 -0.01 0.00 0.26 0.00 0.00 34.13 32.07 2wkb s GLU 98 CO -0.07 0.47 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.99 2wkb s PHE 99 N -0.37 2.93 0.02 5.30 0.08 -1.26 -0.48 117.98 124.19 2wkb s PHE 99 Ca 0.03 -0.89 0.09 0.00 0.12 0.00 0.00 56.93 56.27 2wkb s PHE 99 Cb -0.12 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2wkb s PHE 99 CO 0.02 -0.47 -0.26 1.03 -0.10 0.00 0.00 175.22 175.43 2wkb s ARG 100 N 1.20 1.89 -0.14 0.44 1.81 -0.13 -4.99 118.95 119.02 2wkb s ARG 100 Ca 0.02 -1.03 -0.05 0.00 -1.72 0.00 0.00 55.73 52.94 2wkb s ARG 100 Cb -0.14 -1.97 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 2wkb s ARG 100 CO -0.02 0.52 0.05 0.34 -0.68 0.00 0.00 175.30 175.51 2wkb s ASP 101 N -1.00 5.55 0.00 0.23 -1.08 -1.26 -1.22 116.67 117.88 2wkb s ASP 101 Ca 0.11 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.28 2wkb s ASP 101 Cb -0.10 -1.82 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 2wkb s ASP 101 CO 0.01 0.27 0.00 0.00 0.52 0.00 0.00 175.17 175.97 2wkb s PHE 107 N -1.16 3.12 0.04 0.00 0.40 -1.26 -5.04 117.98 114.09 2wkb s PHE 107 Ca 0.00 1.23 0.02 0.00 -0.60 0.00 0.00 56.93 57.57 2wkb s PHE 107 Cb 0.00 -3.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.11 2wkb s PHE 107 CO 0.00 -1.18 -0.07 0.00 0.70 0.00 0.00 175.22 174.67 2wkb s ALA 108 N 2.86 0.51 -0.02 5.36 0.00 -1.26 -5.15 121.76 124.06 2wkb s ALA 108 Ca 0.52 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 2wkb s ALA 108 Cb -0.21 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.00 2wkb s ALA 108 CO 0.16 -0.05 0.04 -0.06 0.00 0.00 0.00 175.76 175.85 2wkb s PHE 109 N -1.44 0.03 0.23 0.00 0.08 -1.26 -5.14 117.98 110.50 2wkb s PHE 109 Ca -0.11 0.15 -0.25 0.00 0.12 0.00 0.00 56.93 56.84 2wkb s PHE 109 Cb -0.10 -0.27 -0.09 0.00 -0.57 0.00 0.00 43.02 42.00 2wkb s PHE 109 CO 0.00 -0.10 0.85 0.45 -0.10 0.00 0.00 175.22 176.31 2wkb s SER 110 N 1.21 7.36 0.12 1.36 0.15 -1.26 -4.93 113.70 117.71 2wkb s SER 110 Ca -0.07 1.72 0.16 0.00 0.70 0.00 0.00 55.95 58.45 2wkb s SER 110 Cb -0.13 -2.53 0.70 0.00 -1.71 0.00 0.00 66.02 62.35 2wkb s SER 110 CO -0.03 0.09 1.49 0.61 1.20 0.00 0.00 173.24 176.60 2wkb n GLY 111 N 1.12 -0.99 0.28 9.45 0.00 -1.26 -2.16 105.19 111.64 2wkb n GLY 111 Ca -0.02 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.18 2wkb n GLY 111 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wkb h SER 112 N 0.00 0.00 0.37 1.61 4.64 -2.01 -2.17 113.55 115.99 2wkb h SER 112 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wkb h SER 112 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2wkb h SER 112 CO 0.00 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 2wkb n LEU 113 N -3.52 0.63 0.00 5.97 4.77 -0.92 -4.15 117.00 119.79 2wkb n LEU 113 Ca -0.02 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2wkb n LEU 113 Cb 0.20 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2wkb n LEU 113 CO 0.28 -0.77 -0.35 0.49 -1.33 0.00 0.00 177.39 175.71 2wkb n PHE 114 N -2.27 0.00 0.00 -1.77 3.72 -0.83 -4.94 117.46 111.37 2wkb n PHE 114 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2wkb n PHE 114 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 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 2.40 0.00 0.00 1.37 0.00 -1.12 -5.18 105.19 102.66 2wkb n GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wkb n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93