#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 2.90 -0.43 0.00 -1.05 -0.18 -1.83 118.70 120.97 2wkb s GLU 4 Ca 0.14 -0.82 -0.15 0.00 -0.15 0.00 0.00 54.97 54.00 2wkb s GLU 4 Cb -0.14 -2.35 0.04 0.00 -0.44 0.00 0.00 34.13 31.24 2wkb s GLU 4 CO -0.20 0.31 0.33 -1.17 0.95 0.00 0.00 175.26 175.47 2wkb s LEU 5 N 0.05 5.29 -0.27 1.83 2.96 0.32 -1.09 118.68 127.77 2wkb s LEU 5 Ca -0.08 -1.08 -0.08 0.00 -0.22 0.00 0.00 54.13 52.67 2wkb s LEU 5 Cb -0.15 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 2wkb s LEU 5 CO 0.05 -0.52 0.10 -0.63 -1.32 0.00 0.00 176.35 174.03 2wkb s ILE 6 N 1.65 4.45 -0.02 6.68 1.01 0.33 -0.19 121.20 135.12 2wkb s ILE 6 Ca 0.04 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.28 2wkb s ILE 6 Cb -0.21 -3.13 0.04 0.00 0.01 0.00 0.00 42.46 39.17 2wkb s ILE 6 CO 0.08 0.27 0.46 0.28 0.00 0.00 0.00 174.94 176.03 2wkb s THR 7 N 1.62 0.04 -2.25 2.92 -1.32 -0.79 -0.77 115.64 115.09 2wkb s THR 7 Ca 0.06 -0.30 0.19 0.00 -1.21 0.00 0.00 61.69 60.44 2wkb s THR 7 Cb -0.16 -0.80 0.43 0.00 -1.51 0.00 0.00 72.50 70.46 2wkb s THR 7 CO 0.05 -0.16 1.47 -0.46 -2.21 0.00 0.00 174.62 173.30 2wkb n ASN 8 N 1.02 2.12 -4.67 8.08 0.23 -1.15 -0.03 115.26 120.86 2wkb n ASN 8 Ca -0.20 -1.83 -0.40 0.00 -0.53 0.00 0.00 54.58 51.62 2wkb n ASN 8 Cb 0.57 -0.17 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 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 -1.66 5.06 -0.24 1.53 1.01 -1.26 -4.79 121.20 120.84 2wkb s ILE 9 Ca 0.32 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 61.91 2wkb s ILE 9 Cb 0.18 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2wkb s ILE 9 CO 0.26 0.16 0.67 -0.55 0.00 0.00 0.00 174.94 175.47 2wkb s SER 10 N 1.09 6.64 0.08 3.58 0.15 -1.26 -4.95 113.70 119.04 2wkb s SER 10 Ca 0.29 0.79 0.01 0.00 0.70 0.00 0.00 55.95 57.74 2wkb s SER 10 Cb -0.16 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2wkb s SER 10 CO 0.11 -0.38 -0.06 0.27 1.20 0.00 0.00 173.24 174.38 2wkb s ILE 11 N 2.46 0.61 0.68 6.45 -4.36 -1.26 -5.15 121.20 120.63 2wkb s ILE 11 Ca 0.28 -1.79 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 2wkb s ILE 11 Cb -0.16 -1.49 -0.00 0.00 1.25 0.00 0.00 42.46 42.06 2wkb s ILE 11 CO 0.09 -0.81 1.06 -2.16 0.24 0.00 0.00 174.94 173.35 2wkb s PRO 12 N -3.49 3.05 0.26 0.37 0.04 -1.26 -4.79 135.00 129.18 2wkb s PRO 12 Ca 0.08 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 2wkb s PRO 12 Cb 0.03 -2.01 0.53 0.00 0.04 0.00 0.00 34.50 33.10 2wkb s PRO 12 CO -0.05 -1.00 1.74 -0.44 0.04 0.00 0.00 177.00 177.29 2wkb h ASP 13 N -0.64 0.38 -0.68 6.66 3.32 -2.01 0.79 116.42 124.23 2wkb h ASP 13 Ca -0.44 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 2wkb h ASP 13 Cb 1.21 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 2wkb h ASP 13 CO 0.58 0.13 0.37 0.44 -1.72 0.00 0.00 179.24 179.04 2wkb h ASP 14 N 0.50 0.86 -0.56 6.45 3.32 -1.99 0.13 116.42 125.13 2wkb h ASP 14 Ca 0.46 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 2wkb h ASP 14 Cb 0.71 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2wkb h ASP 14 CO -0.41 0.72 0.12 0.50 -1.72 0.00 0.00 179.24 178.45 2wkb h LYS 15 N 0.94 0.96 -0.25 3.56 3.64 -1.77 -0.06 116.57 123.58 2wkb h LYS 15 Ca 0.24 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2wkb h LYS 15 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2wkb h LYS 15 CO -0.04 0.87 0.12 0.00 -2.27 0.00 0.00 179.45 178.13 2wkb h ALA 16 N 1.22 0.32 -0.37 5.00 0.00 -0.28 0.54 119.26 125.70 2wkb h ALA 16 Ca 0.19 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wkb h ALA 16 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2wkb h ALA 16 CO 0.00 -0.11 0.18 1.96 0.00 0.00 0.00 179.25 181.29 2wkb h GLN 17 N 0.27 0.36 -0.53 0.00 1.08 -0.58 0.74 115.11 116.44 2wkb h GLN 17 Ca 0.08 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.30 2wkb h GLN 17 Cb 0.13 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 2wkb h GLN 17 CO -0.01 0.24 0.28 -0.91 -0.95 0.00 0.00 178.83 177.48 2wkb h ASN 18 N 0.37 0.42 -0.17 1.46 2.35 -0.74 -0.99 115.58 118.29 2wkb h ASN 18 Ca 0.15 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2wkb h ASN 18 Cb 0.06 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2wkb h ASN 18 CO -0.11 0.29 0.06 0.74 -1.65 0.00 0.00 177.43 176.77 2wkb h THR 19 N 0.55 1.17 -0.86 2.81 2.02 -0.54 -2.02 112.91 116.03 2wkb h THR 19 Ca 0.23 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2wkb h THR 19 Cb 0.12 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2wkb h THR 19 CO -0.15 0.16 0.49 -0.07 0.37 0.00 0.00 175.52 176.32 2wkb h LEU 20 N 0.12 1.06 -0.61 2.58 3.38 -0.80 -1.49 115.31 119.55 2wkb h LEU 20 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wkb h LEU 20 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2wkb h LEU 20 CO -0.00 0.84 0.38 0.28 0.09 0.00 0.00 178.44 180.02 2wkb h SER 21 N 1.20 0.72 -0.50 -0.43 0.02 -0.98 0.18 113.55 113.76 2wkb h SER 21 Ca 0.31 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2wkb h SER 21 Cb -0.00 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2wkb h SER 21 CO -0.05 0.55 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.82 2wkb h GLU 22 N 0.82 0.90 -0.37 3.45 5.08 -1.01 0.61 114.58 124.06 2wkb h GLU 22 Ca 0.22 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2wkb h GLU 22 Cb -0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2wkb h GLU 22 CO -0.04 0.95 0.14 0.82 -1.00 0.00 0.00 179.01 179.88 2wkb h ILE 23 N 0.76 1.19 -0.77 3.13 2.04 -0.78 0.33 117.51 123.41 2wkb h ILE 23 Ca 0.14 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.47 2wkb h ILE 23 Cb 0.57 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 2wkb h ILE 23 CO 0.03 0.21 0.45 -0.33 0.00 0.00 0.00 178.15 178.51 2wkb h GLU 24 N 0.45 0.77 -0.58 2.37 5.08 -0.42 -1.52 114.58 120.73 2wkb h GLU 24 Ca 0.12 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2wkb h GLU 24 Cb 0.19 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2wkb h GLU 24 CO -0.01 0.51 0.10 -0.44 -1.00 0.00 0.00 179.01 178.17 2wkb h ASP 25 N 0.79 0.87 -0.55 1.42 3.32 -0.63 -0.27 116.42 121.37 2wkb h ASP 25 Ca 0.35 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 2wkb h ASP 25 Cb 0.24 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2wkb h ASP 25 CO -0.20 0.87 0.20 0.00 -1.72 0.00 0.00 179.24 178.39 2wkb h ALA 26 N 1.23 1.24 -0.14 3.45 0.00 -0.16 0.89 119.26 125.79 2wkb h ALA 26 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wkb h ALA 26 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wkb h ALA 26 CO 0.01 0.54 0.03 0.82 0.00 0.00 0.00 179.25 180.65 2wkb h ILE 27 N 0.86 1.20 -0.61 0.00 2.04 -0.95 -1.50 117.51 118.55 2wkb h ILE 27 Ca 0.20 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2wkb h ILE 27 Cb 0.22 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2wkb h ILE 27 CO -0.01 0.18 0.27 -1.28 0.00 0.00 0.00 178.15 177.31 2wkb h SER 28 N 0.02 0.81 0.05 1.72 0.87 -0.75 -1.42 113.55 114.86 2wkb h SER 28 Ca 0.04 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.28 2wkb h SER 28 Cb 0.25 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2wkb h SER 28 CO 0.00 0.73 -0.65 0.78 -0.53 0.00 0.00 176.83 177.17 2wkb h ASN 29 N 0.83 0.66 -0.46 6.23 2.35 -0.76 0.19 115.58 124.63 2wkb h ASN 29 Ca 0.21 -0.39 -0.09 0.00 -0.55 0.00 0.00 56.30 55.48 2wkb h ASN 29 Cb 0.15 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2wkb h ASN 29 CO -0.02 1.13 -0.05 0.40 -1.65 0.00 0.00 177.43 177.24 2wkb h ILE 30 N 0.42 1.26 -0.28 2.81 2.04 -1.13 -2.97 117.51 119.65 2wkb h ILE 30 Ca -0.01 -1.13 -0.13 0.00 1.00 0.00 0.00 64.86 64.58 2wkb h ILE 30 Cb 1.22 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2wkb h ILE 30 CO 0.12 0.40 -0.37 -0.07 0.00 0.00 0.00 178.15 178.23 2wkb h LEU 31 N 0.82 0.68 0.43 1.44 4.07 -1.12 -3.47 115.31 118.17 2wkb h LEU 31 Ca 0.15 -0.30 -0.17 0.00 0.08 0.00 0.00 57.88 57.64 2wkb h LEU 31 Cb 0.55 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 42.03 2wkb h LEU 31 CO 0.03 0.99 -0.16 0.61 -1.08 0.00 0.00 178.44 178.83 2wkb n GLY 32 N -0.03 0.99 3.24 0.83 0.00 0.63 -5.02 105.19 105.82 2wkb n GLY 32 Ca -0.01 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.77 0.99 0.68 1.61 1.02 -0.98 -5.04 119.74 115.24 2wkb s LYS 33 Ca 0.00 -1.12 -0.16 0.00 0.02 0.00 0.00 55.97 54.70 2wkb s LYS 33 Cb 0.00 -1.05 0.01 0.00 -0.52 0.00 0.00 37.83 36.27 2wkb s LYS 33 CO 0.00 0.23 1.21 -1.25 -0.92 0.00 0.00 175.35 174.62 2wkb s PRO 34 N -2.12 2.48 -0.49 -1.68 0.04 -1.26 -4.53 135.00 127.44 2wkb s PRO 34 Ca 0.05 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2wkb s PRO 34 Cb -0.08 -1.87 0.34 0.00 0.04 0.00 0.00 34.50 32.92 2wkb s PRO 34 CO 0.03 -1.58 0.85 1.33 0.04 0.00 0.00 177.00 177.67 2wkb n VAL 35 N -2.28 1.68 0.28 -0.36 0.24 -1.26 -4.94 118.33 111.70 2wkb n VAL 35 Ca 0.13 -5.15 0.17 0.00 -2.04 0.00 0.00 64.34 57.46 2wkb n VAL 35 Cb 0.50 -0.97 0.71 0.00 -1.47 0.00 0.00 33.84 32.61 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 3.04 1.00 -0.03 2.33 0.00 -2.03 -2.40 119.26 121.18 2wkb h ALA 36 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wkb h ALA 36 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2wkb h ALA 36 CO 0.68 0.00 -0.05 0.66 0.00 0.00 0.00 179.25 180.54 2wkb n TYR 37 N -3.10 0.00 -2.07 0.00 4.01 -1.26 -5.02 117.16 109.73 2wkb n TYR 37 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2wkb n TYR 37 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.87 2.70 -0.05 -0.72 2.07 -0.90 -4.45 121.20 117.97 2wkb s ILE 38 Ca 0.24 0.64 -0.02 0.00 -1.41 0.00 0.00 60.65 60.10 2wkb s ILE 38 Cb 0.18 -3.41 -0.04 0.00 0.13 0.00 0.00 42.46 39.32 2wkb s ILE 38 CO 0.30 0.13 0.08 -0.04 -1.91 0.00 0.00 174.94 173.50 2wkb s MET 39 N -1.17 3.15 0.10 3.50 -1.94 -0.01 -5.04 119.30 117.89 2wkb s MET 39 Ca 0.53 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.14 2wkb s MET 39 Cb -0.41 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 2wkb s MET 39 CO 0.49 0.69 -0.02 -1.54 -0.01 0.00 0.00 175.02 174.63 2wkb s SER 40 N -1.37 0.78 -0.12 3.03 1.04 -1.26 -0.49 113.70 115.31 2wkb s SER 40 Ca 0.19 -1.07 -0.27 0.00 0.48 0.00 0.00 55.95 55.28 2wkb s SER 40 Cb -0.12 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.24 2wkb s SER 40 CO 0.09 -0.57 0.66 0.21 0.98 0.00 0.00 173.24 174.60 2wkb s ASN 41 N -3.02 -0.65 -0.37 7.02 2.47 -0.76 -4.94 114.94 114.69 2wkb s ASN 41 Ca 0.14 0.90 -0.06 0.00 0.42 0.00 0.00 52.86 54.27 2wkb s ASN 41 Cb 0.07 0.82 0.07 0.00 -1.45 0.00 0.00 41.25 40.75 2wkb s ASN 41 CO -0.04 -0.47 0.15 -0.47 -3.72 0.00 0.00 177.10 172.55 2wkb s TYR 42 N -0.67 3.34 -0.45 0.43 5.04 -1.26 -0.52 117.35 123.26 2wkb s TYR 42 Ca -0.07 -1.72 -0.09 0.00 -2.44 0.00 0.00 57.07 52.74 2wkb s TYR 42 Cb -0.02 -2.62 0.11 0.00 0.35 0.00 0.00 41.96 39.78 2wkb s TYR 42 CO 0.07 -0.82 0.32 0.34 -1.34 0.00 0.00 175.55 174.11 2wkb s ASP 43 N 1.65 5.66 -0.41 4.32 -1.08 0.74 -5.00 116.67 122.55 2wkb s ASP 43 Ca 0.01 -1.83 -0.29 0.00 -0.52 0.00 0.00 52.55 49.92 2wkb s ASP 43 Cb -0.21 -1.99 0.02 0.00 -1.46 0.00 0.00 42.92 39.28 2wkb s ASP 43 CO 0.01 -0.65 1.12 -0.47 0.52 0.00 0.00 175.17 175.70 2wkb s TYR 44 N 1.36 2.94 -0.52 -5.34 5.04 -1.26 -1.89 117.35 117.68 2wkb s TYR 44 Ca 0.05 0.91 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 2wkb s TYR 44 Cb -0.25 -4.14 0.14 0.00 0.35 0.00 0.00 41.96 38.06 2wkb s TYR 44 CO -0.00 -1.10 0.30 -0.65 -1.34 0.00 0.00 175.55 172.76 2wkb s GLN 45 N 4.15 1.76 0.54 4.97 -1.52 0.96 -4.96 119.66 125.56 2wkb s GLN 45 Ca 0.47 -2.51 0.25 0.00 -1.95 0.00 0.00 55.36 51.62 2wkb s GLN 45 Cb -0.09 -2.88 1.53 0.00 -0.22 0.00 0.00 33.01 31.35 2wkb s GLN 45 CO 0.25 -1.18 2.16 1.57 -0.25 0.00 0.00 175.29 177.84 2wkb h LYS 46 N 6.32 0.00 -0.20 2.91 2.10 -1.87 -1.70 116.57 124.13 2wkb h LYS 46 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2wkb h LYS 46 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2wkb h LYS 46 CO 0.60 0.05 0.00 0.09 -2.00 0.00 0.00 179.45 178.20 2wkb n ASN 47 N -3.98 1.74 -4.75 7.07 3.02 -1.26 -4.86 115.26 112.24 2wkb n ASN 47 Ca -0.03 -1.76 -0.41 0.00 -0.03 0.00 0.00 54.58 52.35 2wkb n ASN 47 Cb 0.14 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.47 4.38 0.11 3.41 2.96 -0.64 -4.98 118.68 122.45 2wkb s LEU 48 Ca 0.31 2.73 0.09 0.00 -0.22 0.00 0.00 54.13 57.04 2wkb s LEU 48 Cb 0.17 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2wkb s LEU 48 CO 0.25 -0.72 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.20 2wkb s ARG 49 N -0.69 1.19 -0.05 1.98 0.52 -1.26 -4.55 118.95 116.09 2wkb s ARG 49 Ca 0.58 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 54.55 2wkb s ARG 49 Cb -0.43 -1.51 0.03 0.00 0.52 0.00 0.00 34.95 33.56 2wkb s ARG 49 CO 0.46 0.35 0.13 0.12 0.02 0.00 0.00 175.30 176.38 2wkb s PHE 50 N -1.14 -0.13 -1.49 -0.53 5.36 -0.57 -4.86 117.98 114.61 2wkb s PHE 50 Ca 0.08 0.39 -0.12 0.00 -0.96 0.00 0.00 56.93 56.32 2wkb s PHE 50 Cb -0.10 -0.05 0.08 0.00 -0.34 0.00 0.00 43.02 42.61 2wkb s PHE 50 CO 0.05 -0.12 0.82 0.43 -1.46 0.00 0.00 175.22 174.93 2wkb n SER 51 N 3.80 -4.59 0.00 6.13 7.64 -1.26 -1.94 113.62 123.40 2wkb n SER 51 Ca -0.22 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.01 2wkb n SER 51 Cb 0.54 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 2wkb n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wkb n GLY 52 N -1.53 0.73 3.03 0.23 0.00 -1.26 -5.04 105.19 101.36 2wkb n GLY 52 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.30 1.07 -0.08 1.61 0.15 -0.82 -5.02 113.70 108.31 2wkb s SER 53 Ca 0.00 -0.19 0.14 0.00 0.70 0.00 0.00 55.95 56.60 2wkb s SER 53 Cb 0.00 -0.11 0.53 0.00 -1.71 0.00 0.00 66.02 64.73 2wkb s SER 53 CO 0.00 0.10 1.40 -3.20 1.20 0.00 0.00 173.24 172.74 2wkb n ASN 54 N 2.77 3.57 -4.73 5.45 5.15 -1.26 -1.51 115.26 124.70 2wkb n ASN 54 Ca -0.14 -2.30 -0.29 0.00 -0.60 0.00 0.00 54.58 51.25 2wkb n ASN 54 Cb 0.57 -0.48 0.14 0.00 -0.53 0.00 0.00 39.78 39.47 2wkb n ASN 54 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wkb s GLU 55 N -1.72 1.17 0.13 1.20 0.41 -1.26 -4.85 118.70 113.78 2wkb s GLU 55 Ca 0.38 0.66 -0.35 0.00 -0.41 0.00 0.00 54.97 55.25 2wkb s GLU 55 Cb 0.24 -1.81 -0.16 0.00 -1.78 0.00 0.00 34.13 30.62 2wkb s GLU 55 CO 0.19 -2.26 1.38 0.41 -0.49 0.00 0.00 175.26 174.48 2wkb n GLY 56 N -1.39 0.59 3.46 -1.39 0.00 -1.26 -4.86 105.19 100.34 2wkb n GLY 56 Ca 0.06 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.59 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 0.43 -0.60 -0.09 1.61 5.04 -1.26 -4.74 117.35 117.73 2wkb s TYR 57 Ca 0.80 1.42 0.02 0.00 -2.44 0.00 0.00 57.07 56.87 2wkb s TYR 57 Cb -0.84 0.22 0.01 0.00 0.35 0.00 0.00 41.96 41.70 2wkb s TYR 57 CO 0.46 -0.32 -0.16 0.00 -1.34 0.00 0.00 175.55 174.18 2wkb s PHE 59 N 0.74 3.00 -0.18 0.00 5.36 0.05 -1.21 117.98 125.75 2wkb s PHE 59 Ca -0.12 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.35 2wkb s PHE 59 Cb -0.16 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 2wkb s PHE 59 CO 0.02 -0.22 -0.14 0.08 -1.46 0.00 0.00 175.22 173.50 2wkb s VAL 60 N 0.83 2.69 -0.15 3.12 1.01 0.43 -0.51 120.40 127.82 2wkb s VAL 60 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2wkb s VAL 60 Cb -0.14 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2wkb s VAL 60 CO 0.02 0.50 -0.16 -0.60 0.00 0.00 0.00 175.10 174.86 2wkb s ARG 61 N 1.07 3.20 -0.15 2.72 3.52 -0.25 -0.67 118.95 128.39 2wkb s ARG 61 Ca -0.00 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 2wkb s ARG 61 Cb -0.15 -2.60 -0.00 0.00 -1.56 0.00 0.00 34.95 30.64 2wkb s ARG 61 CO -0.04 0.02 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.82 2wkb s LEU 62 N 0.80 2.52 -0.10 -0.88 1.02 0.63 -1.01 118.68 121.64 2wkb s LEU 62 Ca -0.06 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.67 2wkb s LEU 62 Cb -0.15 -1.57 0.01 0.00 0.02 0.00 0.00 46.19 44.49 2wkb s LEU 62 CO 0.00 0.10 -0.19 -0.89 0.02 0.00 0.00 176.35 175.39 2wkb s THR 63 N 0.75 1.70 -1.37 5.49 2.01 -1.26 -0.33 115.64 122.63 2wkb s THR 63 Ca -0.06 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2wkb s THR 63 Cb -0.15 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.87 2wkb s THR 63 CO 0.01 0.48 0.90 -1.20 -0.69 0.00 0.00 174.62 174.12 2wkb n SER 64 N 3.87 -3.13 -4.48 3.53 7.64 -0.14 -4.26 113.62 116.66 2wkb n SER 64 Ca -0.20 -0.74 -0.43 0.00 1.01 0.00 0.00 58.87 58.51 2wkb n SER 64 Cb 0.52 -4.29 -0.10 0.00 -1.01 0.00 0.00 64.21 59.33 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 -3.47 5.21 0.19 0.44 1.01 -1.26 -4.11 121.20 119.21 2wkb s ILE 65 Ca 0.29 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 60.13 2wkb s ILE 65 Cb -0.14 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 2wkb s ILE 65 CO 0.80 -0.30 1.65 -0.83 0.00 0.00 0.00 174.94 176.26 2wkb s GLY 66 N 1.72 1.39 0.00 6.18 0.00 -1.26 -2.64 107.32 112.71 2wkb s GLY 66 Ca 0.07 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.29 2wkb s GLY 66 CO 0.11 2.76 0.00 0.61 0.00 0.00 0.00 173.10 176.58 2wkb n GLY 67 N 3.83 0.20 3.73 0.20 0.00 -1.26 -5.04 105.19 106.85 2wkb n GLY 67 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 4.88 0.29 -0.61 -1.09 -1.08 -4.94 121.20 116.58 2wkb s ILE 68 Ca 0.00 1.61 -0.08 0.00 -2.23 0.00 0.00 60.65 59.96 2wkb s ILE 68 Cb 0.00 -4.11 0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2wkb s ILE 68 CO 0.00 0.29 0.52 -0.46 -1.23 0.00 0.00 174.94 174.06 2wkb n ASN 69 N 3.34 -1.48 0.08 3.58 0.23 -1.26 -4.98 115.26 114.77 2wkb n ASN 69 Ca -0.01 -2.30 0.21 0.00 -0.53 0.00 0.00 54.58 51.95 2wkb n ASN 69 Cb 0.51 2.55 0.73 0.00 -2.08 0.00 0.00 39.78 41.49 2wkb n ASN 69 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 2wkb h ARG 70 N 0.00 0.00 0.00 -3.83 3.08 -2.00 0.75 114.38 112.38 2wkb h ARG 70 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2wkb h ARG 70 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2wkb h ARG 70 CO 0.31 0.00 -0.08 -1.13 -1.07 0.00 0.00 179.97 178.00 2wkb n SER 71 N -3.65 0.74 0.00 7.04 3.41 -1.26 -4.30 113.62 115.61 2wkb n SER 71 Ca 0.08 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2wkb n SER 71 Cb 0.66 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.18 0.10 0.07 4.04 0.23 -0.70 -4.85 115.26 111.97 2wkb n ASN 72 Ca 0.05 -0.48 -0.04 0.00 -0.53 0.00 0.00 54.58 53.58 2wkb n ASN 72 Cb 0.42 0.15 0.15 0.00 -2.08 0.00 0.00 39.78 38.42 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 0.32 -0.21 0.53 7.08 -1.07 -1.61 115.58 120.61 2wkb h ASN 73 Ca 0.00 -0.16 -0.02 0.00 -3.08 0.00 0.00 56.30 53.04 2wkb h ASN 73 Cb 0.15 -0.09 -0.01 0.00 -2.08 0.00 0.00 38.32 36.29 2wkb h ASN 73 CO 0.00 0.78 0.04 -1.28 -2.08 0.00 0.00 177.43 174.89 2wkb h SER 74 N 0.23 0.33 -0.56 6.14 0.87 -1.84 0.12 113.55 118.83 2wkb h SER 74 Ca 0.01 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 2wkb h SER 74 Cb 0.98 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 2wkb h SER 74 CO 0.08 0.49 0.28 0.25 -0.53 0.00 0.00 176.83 177.40 2wkb h LEU 75 N 0.16 0.75 -0.45 2.23 5.85 -1.85 0.17 115.31 122.17 2wkb h LEU 75 Ca 0.07 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2wkb h LEU 75 Cb 0.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2wkb h LEU 75 CO 0.00 0.64 -0.11 0.25 -0.34 0.00 0.00 178.44 178.89 2wkb h LEU 76 N 0.84 0.88 -1.10 2.25 5.85 -1.06 -1.58 115.31 121.39 2wkb h LEU 76 Ca 0.21 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2wkb h LEU 76 Cb 0.09 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2wkb h LEU 76 CO -0.03 1.03 0.45 0.00 -0.34 0.00 0.00 178.44 179.55 2wkb h ALA 77 N 0.87 1.32 0.11 1.25 0.00 -0.35 0.52 119.26 122.98 2wkb h ALA 77 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wkb h ALA 77 Cb 0.65 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wkb h ALA 77 CO 0.04 0.57 -0.05 0.22 0.00 0.00 0.00 179.25 180.03 2wkb h ASP 78 N 1.08 -0.13 -0.51 0.00 1.82 -0.78 -0.33 116.42 117.58 2wkb h ASP 78 Ca 0.28 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 2wkb h ASP 78 Cb -0.01 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 2wkb h ASP 78 CO -0.05 -0.01 0.30 0.11 -1.61 0.00 0.00 179.24 177.98 2wkb h LYS 79 N -0.24 0.69 -0.80 0.28 1.57 -0.94 -1.91 116.57 115.23 2wkb h LYS 79 Ca -0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2wkb h LYS 79 Cb 0.19 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2wkb h LYS 79 CO 0.02 0.51 0.39 0.82 -0.57 0.00 0.00 179.45 180.62 2wkb h ILE 80 N 0.68 1.25 -0.56 1.86 2.04 -0.77 -1.14 117.51 120.86 2wkb h ILE 80 Ca 0.18 -0.70 0.09 0.00 1.00 0.00 0.00 64.86 65.43 2wkb h ILE 80 Cb 0.00 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.25 2wkb h ILE 80 CO -0.03 0.30 0.16 0.74 0.00 0.00 0.00 178.15 179.32 2wkb h THR 81 N 1.13 0.73 -0.24 -0.27 2.02 -0.48 -0.35 112.91 115.45 2wkb h THR 81 Ca 0.27 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 2wkb h THR 81 Cb 0.12 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2wkb h THR 81 CO -0.03 0.06 0.08 0.11 0.37 0.00 0.00 175.52 176.10 2wkb h LYS 82 N 0.31 0.38 -0.31 6.66 1.57 -1.00 -0.02 116.57 124.15 2wkb h LYS 82 Ca 0.28 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2wkb h LYS 82 Cb 0.37 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2wkb h LYS 82 CO -0.33 0.45 0.12 0.82 -0.57 0.00 0.00 179.45 179.94 2wkb h ILE 83 N 0.23 0.94 -0.38 1.86 2.04 -0.88 -1.70 117.51 119.62 2wkb h ILE 83 Ca 0.08 -0.09 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 2wkb h ILE 83 Cb 0.22 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2wkb h ILE 83 CO -0.00 0.05 -0.35 -0.07 0.00 0.00 0.00 178.15 177.78 2wkb h LEU 84 N 0.27 0.92 -0.87 1.44 3.38 -0.87 -0.72 115.31 118.86 2wkb h LEU 84 Ca 0.14 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2wkb h LEU 84 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wkb h LEU 84 CO -0.13 1.18 -0.19 0.77 0.09 0.00 0.00 178.44 180.15 2wkb h SER 85 N 0.72 0.62 0.81 -0.43 4.64 -0.86 0.11 113.55 119.17 2wkb h SER 85 Ca 0.07 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2wkb h SER 85 Cb 0.92 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2wkb h SER 85 CO 0.09 0.82 -0.39 -1.13 -0.87 0.00 0.00 176.83 175.34 2wkb h ASN 86 N 0.55 -0.93 0.53 4.97 -1.24 -1.14 -2.15 115.58 116.18 2wkb h ASN 86 Ca 0.09 0.03 -0.24 0.00 0.71 0.00 0.00 56.30 56.88 2wkb h ASN 86 Cb 0.64 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.93 2wkb h ASN 86 CO 0.05 -0.57 -1.05 0.45 -1.29 0.00 0.00 177.43 175.01 2wkb h HIS 87 N -1.27 0.47 -0.02 0.67 3.86 -1.11 -3.33 115.15 114.43 2wkb h HIS 87 Ca -0.11 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2wkb h HIS 87 Cb 0.84 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.27 2wkb h HIS 87 CO -0.00 1.16 -0.32 1.28 0.86 0.00 0.00 177.93 180.91 2wkb n LEU 88 N -3.63 1.95 -2.54 2.43 4.32 0.37 -5.00 117.00 114.90 2wkb n LEU 88 Ca -0.06 -0.81 -0.13 0.00 -0.02 0.00 0.00 56.01 54.99 2wkb n LEU 88 Cb 0.91 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.70 2wkb n LEU 88 CO 0.51 0.36 -0.14 -1.20 -1.22 0.00 0.00 177.39 175.70 2wkb n SER 89 N 0.14 -3.84 -4.81 -1.43 7.64 -0.81 -4.96 113.62 105.55 2wkb n SER 89 Ca 0.08 0.14 -0.36 0.00 1.01 0.00 0.00 58.87 59.74 2wkb n SER 89 Cb 0.41 -3.26 -0.06 0.00 -1.01 0.00 0.00 64.21 60.29 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 -2.64 4.50 0.32 0.44 0.11 -1.25 -5.02 120.40 116.87 2wkb s VAL 90 Ca 0.04 1.40 -0.29 0.00 -2.93 0.00 0.00 61.98 60.20 2wkb s VAL 90 Cb -0.02 -3.90 -0.10 0.00 -1.53 0.00 0.00 36.38 30.83 2wkb s VAL 90 CO 0.05 0.21 1.28 -0.54 -3.33 0.00 0.00 175.10 172.77 2wkb s LYS 91 N -1.95 4.39 0.32 1.54 1.02 -1.26 -4.41 119.74 119.39 2wkb s LYS 91 Ca 0.44 2.17 0.09 0.00 0.02 0.00 0.00 55.97 58.68 2wkb s LYS 91 Cb -0.17 -3.09 0.87 0.00 -0.52 0.00 0.00 37.83 34.92 2wkb s LYS 91 CO 0.22 -0.14 1.73 -1.35 -0.92 0.00 0.00 175.35 174.89 2wkb h PRO 92 N 3.44 0.55 0.00 -1.68 0.11 -1.95 0.29 132.00 132.75 2wkb h PRO 92 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wkb h PRO 92 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wkb h PRO 92 CO 0.66 0.36 0.00 2.89 -0.21 0.00 0.00 178.00 181.70 2wkb n ARG 93 N -4.90 0.30 -1.21 1.05 1.85 -1.26 -1.41 116.66 111.09 2wkb n ARG 93 Ca 0.26 0.08 -0.18 0.00 -1.00 0.00 0.00 57.85 57.01 2wkb n ARG 93 Cb 0.73 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.78 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 -1.29 2.39 -5.17 2.89 1.74 0.09 -4.90 116.66 112.40 2wkb n ARG 94 Ca 0.10 -3.34 -0.31 0.00 -0.77 0.00 0.00 57.85 53.53 2wkb n ARG 94 Cb 0.17 -2.07 -0.17 0.00 -1.02 0.00 0.00 32.46 29.38 2wkb n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wkb s VAL 95 N -3.82 1.96 -0.03 1.55 1.01 -0.50 -0.92 120.40 119.64 2wkb s VAL 95 Ca 0.53 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2wkb s VAL 95 Cb 0.45 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2wkb s VAL 95 CO 0.02 0.54 0.00 -0.47 0.00 0.00 0.00 175.10 175.20 2wkb s TYR 96 N 0.15 0.36 -0.10 5.22 5.04 -0.35 -4.99 117.35 122.67 2wkb s TYR 96 Ca -0.12 -0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 2wkb s TYR 96 Cb -0.16 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.69 2wkb s TYR 96 CO 0.06 -0.15 -0.23 0.42 -1.34 0.00 0.00 175.55 174.31 2wkb s ILE 97 N 1.16 1.96 -0.05 3.14 1.01 -1.26 -0.43 121.20 126.74 2wkb s ILE 97 Ca -0.08 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.66 2wkb s ILE 97 Cb -0.13 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.62 2wkb s ILE 97 CO -0.02 0.54 -0.19 -0.70 0.00 0.00 0.00 174.94 174.57 2wkb s GLU 98 N 0.43 1.97 -0.15 2.79 2.12 0.16 -4.97 118.70 121.04 2wkb s GLU 98 Ca -0.17 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 2wkb s GLU 98 Cb -0.18 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 2wkb s GLU 98 CO 0.07 0.27 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.90 2wkb s PHE 99 N -0.00 2.85 -0.11 5.30 0.08 -1.26 -0.27 117.98 124.57 2wkb s PHE 99 Ca -0.04 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.32 2wkb s PHE 99 Cb -0.12 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2wkb s PHE 99 CO 0.03 -0.29 -0.19 1.03 -0.10 0.00 0.00 175.22 175.70 2wkb s ARG 100 N 0.61 2.53 -0.27 0.44 0.52 0.55 -4.96 118.95 118.37 2wkb s ARG 100 Ca -0.07 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2wkb s ARG 100 Cb -0.15 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.29 2wkb s ARG 100 CO 0.03 0.02 0.01 0.34 0.02 0.00 0.00 175.30 175.72 2wkb s ASP 101 N 0.73 4.70 0.21 0.23 -1.08 -1.26 -0.97 116.67 119.23 2wkb s ASP 101 Ca -0.11 -0.73 0.01 0.00 -0.52 0.00 0.00 52.55 51.20 2wkb s ASP 101 Cb -0.16 -1.78 0.01 0.00 -1.46 0.00 0.00 42.92 39.53 2wkb s ASP 101 CO 0.02 -0.14 0.05 0.00 0.52 0.00 0.00 175.17 175.62 2wkb n ASN 106 N -1.37 0.00 -4.26 0.00 0.23 -1.26 -5.04 115.26 103.56 2wkb n ASN 106 Ca -0.06 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.85 2wkb n ASN 106 Cb 0.25 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.85 2wkb n ASN 106 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 2wkb s PHE 107 N -2.40 1.34 0.05 -2.53 -0.71 -1.26 -5.18 117.98 107.29 2wkb s PHE 107 Ca 0.00 -1.27 -0.13 0.00 -1.04 0.00 0.00 56.93 54.49 2wkb s PHE 107 Cb 0.00 -0.73 0.02 0.00 -1.21 0.00 0.00 43.02 41.10 2wkb s PHE 107 CO 0.00 -0.48 0.29 0.00 -1.34 0.00 0.00 175.22 173.70 2wkb s ALA 108 N -3.95 -0.64 -0.01 1.99 0.00 -1.26 -5.15 121.76 112.73 2wkb s ALA 108 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2wkb s ALA 108 Cb 0.07 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.54 2wkb s ALA 108 CO 0.12 -0.42 0.00 -0.06 0.00 0.00 0.00 175.76 175.41 2wkb s PHE 109 N -2.62 0.16 0.08 0.00 0.08 -1.26 -5.13 117.98 109.29 2wkb s PHE 109 Ca -0.04 0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 2wkb s PHE 109 Cb -0.01 -0.22 -0.06 0.00 -0.57 0.00 0.00 43.02 42.16 2wkb s PHE 109 CO -0.04 -0.06 0.50 0.45 -0.10 0.00 0.00 175.22 175.97 2wkb s SER 110 N 0.54 6.86 0.55 1.36 0.15 -1.26 -4.98 113.70 116.91 2wkb s SER 110 Ca -0.05 1.06 0.31 0.00 0.70 0.00 0.00 55.95 57.96 2wkb s SER 110 Cb -0.07 -2.28 1.57 0.00 -1.71 0.00 0.00 66.02 63.53 2wkb s SER 110 CO -0.01 0.21 2.10 1.23 1.20 0.00 0.00 173.24 177.97 2wkb h GLY 111 N 4.12 0.00 2.00 9.45 0.00 -2.02 -2.19 103.07 114.44 2wkb h GLY 111 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2wkb h GLY 111 CO 0.64 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.04 2wkb n SER 112 N -3.47 0.56 0.23 0.19 3.41 -1.26 -0.93 113.62 112.35 2wkb n SER 112 Ca -0.02 0.76 0.16 0.00 -0.26 0.00 0.00 58.87 59.51 2wkb n SER 112 Cb 0.23 -0.83 0.69 0.00 -0.26 0.00 0.00 64.21 64.04 2wkb n SER 112 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wkb h LEU 113 N 0.00 0.00 0.00 1.04 3.38 -1.81 -3.36 115.31 114.57 2wkb h LEU 113 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wkb h LEU 113 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2wkb h LEU 113 CO 0.00 0.00 -1.08 0.49 0.09 0.00 0.00 178.44 177.94 2wkb n PHE 114 N -2.74 0.00 0.00 1.13 3.72 -0.10 -5.14 117.46 114.32 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 0.22 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2wkb n PHE 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12