#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrs h SER 5 N 0.00 0.30 -4.07 1.08 0.02 -2.13 -3.46 113.55 105.28 1wrs h SER 5 Ca 0.00 -0.84 -0.50 0.00 -0.84 0.00 0.00 61.79 59.61 1wrs h SER 5 Cb 0.00 -0.10 0.07 0.00 0.14 0.00 0.00 62.40 62.51 1wrs h SER 5 CO 0.00 1.49 0.44 -2.16 -1.14 0.00 0.00 176.83 175.45 1wrs s PRO 6 N -2.42 3.46 0.75 3.45 0.05 -1.26 -5.04 135.00 133.99 1wrs s PRO 6 Ca -0.20 1.62 -0.03 0.00 0.05 0.00 0.00 61.00 62.43 1wrs s PRO 6 Cb 0.03 -2.08 0.13 0.00 0.05 0.00 0.00 34.50 32.63 1wrs s PRO 6 CO 0.74 -0.76 1.03 0.71 0.05 0.00 0.00 177.00 178.77 1wrs s TYR 7 N -1.75 1.76 -0.07 0.56 1.51 -1.26 -5.11 117.35 112.98 1wrs s TYR 7 Ca 0.71 -0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.61 1wrs s TYR 7 Cb -0.24 -3.16 0.04 0.00 -0.11 0.00 0.00 41.96 38.49 1wrs s TYR 7 CO 0.27 -1.78 0.16 0.45 -1.11 0.00 0.00 175.55 173.55 1wrs s SER 8 N -4.73 -0.14 0.48 2.29 0.15 -1.26 -5.16 113.70 105.33 1wrs s SER 8 Ca 0.66 0.34 -0.00 0.00 0.70 0.00 0.00 55.95 57.65 1wrs s SER 8 Cb -0.06 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1wrs s SER 8 CO 0.45 -0.14 0.71 0.00 1.20 0.00 0.00 173.24 175.46 1wrs s ALA 9 N 1.08 3.73 -0.30 5.45 0.00 -1.26 -5.05 121.76 125.41 1wrs s ALA 9 Ca -0.08 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.61 1wrs s ALA 9 Cb -0.10 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 1wrs s ALA 9 CO -0.06 -0.46 0.69 0.00 0.00 0.00 0.00 175.76 175.93 1wrs s ALA 10 N -2.62 3.53 1.00 0.00 0.00 -1.26 -5.05 121.76 117.36 1wrs s ALA 10 Ca 0.50 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1wrs s ALA 10 Cb -0.10 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1wrs s ALA 10 CO 0.39 -1.12 0.00 -1.33 0.00 0.00 0.00 175.76 173.70 1wrs n MET 11 N 6.00 0.94 -3.60 0.00 2.81 -1.26 -5.08 117.12 116.93 1wrs n MET 11 Ca 0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1wrs n MET 11 Cb 0.49 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.01 1wrs n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wrs n ALA 12 N -3.00 -2.34 -0.88 3.04 0.00 -1.26 -5.05 120.51 111.03 1wrs n ALA 12 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1wrs n ALA 12 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1wrs n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wrs n GLU 13 N -0.63 0.00 -3.00 0.00 2.13 -1.26 -5.09 120.64 112.78 1wrs n GLU 13 Ca -0.02 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.79 1wrs n GLU 13 Cb 0.52 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.23 1wrs n GLU 13 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1wrs n GLN 14 N 0.00 -1.72 -2.28 5.31 6.02 -1.26 -4.92 117.38 118.53 1wrs n GLN 14 Ca 0.00 1.62 -0.31 0.00 -0.01 0.00 0.00 57.00 58.30 1wrs n GLN 14 Cb 0.07 -2.16 -0.01 0.00 1.02 0.00 0.00 30.24 29.15 1wrs n GLN 14 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wrs s ARG 15 N -0.70 3.71 -0.88 -1.09 0.52 -1.26 -4.91 118.95 114.34 1wrs s ARG 15 Ca -0.04 0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 55.73 1wrs s ARG 15 Cb 0.00 -2.19 -0.08 0.00 0.52 0.00 0.00 34.95 33.20 1wrs s ARG 15 CO 0.23 -0.35 2.05 0.72 0.02 0.00 0.00 175.30 177.96 1wrs n HIS 16 N -2.15 1.55 0.00 -0.53 8.25 -1.26 -4.29 115.22 116.79 1wrs n HIS 16 Ca 0.05 -1.92 0.00 0.00 -0.26 0.00 0.00 57.72 55.58 1wrs n HIS 16 Cb 0.54 -1.69 0.00 0.00 1.12 0.00 0.00 29.99 29.96 1wrs n HIS 16 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wrs n GLN 17 N 5.11 0.00 0.27 -0.41 6.02 -1.26 -4.39 117.38 122.72 1wrs n GLN 17 Ca 0.46 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.59 1wrs n GLN 17 Cb 0.22 -0.04 0.75 0.00 1.02 0.00 0.00 30.24 32.19 1wrs n GLN 17 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1wrs h GLU 18 N 0.00 0.00 0.62 -1.09 5.08 -2.01 -0.39 114.58 116.79 1wrs h GLU 18 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wrs h GLU 18 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1wrs h GLU 18 CO 0.00 0.00 -0.42 2.35 -1.00 0.00 0.00 179.01 179.94 1wrs h TRP 19 N 0.00 -1.13 -1.00 4.33 2.91 -1.81 -2.54 115.95 116.70 1wrs h TRP 19 Ca 0.00 -0.01 0.23 0.00 1.13 0.00 0.00 58.89 60.24 1wrs h TRP 19 Cb 0.41 0.41 -0.10 0.00 -0.51 0.00 0.00 29.16 29.37 1wrs h TRP 19 CO 0.00 -0.61 0.62 1.25 -1.03 0.00 0.00 178.44 178.67 1wrs h LEU 20 N -0.98 0.62 0.04 0.65 5.85 -1.26 -2.70 115.31 117.52 1wrs h LEU 20 Ca -0.08 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wrs h LEU 20 Cb 0.80 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1wrs h LEU 20 CO 0.06 0.17 -0.04 0.03 -0.34 0.00 0.00 178.44 178.31 1wrs h ARG 21 N 0.58 -0.08 -0.77 1.25 3.08 -1.47 0.39 114.38 117.36 1wrs h ARG 21 Ca 0.59 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.91 1wrs h ARG 21 Cb 1.18 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 1wrs h ARG 21 CO -0.36 -0.05 0.23 0.34 -1.07 0.00 0.00 179.97 179.06 1wrs n PHE 22 N -2.56 0.71 -0.10 3.04 7.35 -1.03 0.29 117.46 125.16 1wrs n PHE 22 Ca -0.01 0.92 -0.10 0.00 -0.76 0.00 0.00 57.45 57.50 1wrs n PHE 22 Cb 0.04 -1.21 0.04 0.00 0.35 0.00 0.00 39.48 38.70 1wrs n PHE 22 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wrs h VAL 23 N 0.00 1.27 0.00 -2.13 2.07 -1.20 -2.91 116.25 113.35 1wrs h VAL 23 Ca 0.57 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1wrs h VAL 23 Cb 1.37 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1wrs h VAL 23 CO -0.65 0.48 0.00 -0.67 0.02 0.00 0.00 177.57 176.74 1wrs n ASP 24 N -4.09 0.00 -0.30 0.57 2.03 0.84 -1.62 116.55 113.98 1wrs n ASP 24 Ca -0.01 0.72 0.13 0.00 0.52 0.00 0.00 54.79 56.15 1wrs n ASP 24 Cb 0.48 -0.22 0.28 0.00 -0.72 0.00 0.00 41.12 40.93 1wrs n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wrs h LEU 25 N 0.00 -0.13 -0.78 -2.67 3.38 -1.63 0.01 115.31 113.49 1wrs h LEU 25 Ca 0.00 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.28 1wrs h LEU 25 Cb 0.00 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 40.95 1wrs h LEU 25 CO 0.00 -0.20 -0.51 0.25 0.09 0.00 0.00 178.44 178.07 1wrs h LEU 26 N 0.15 -1.82 0.45 1.67 6.46 -1.15 -1.01 115.31 120.05 1wrs h LEU 26 Ca 0.55 0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 58.57 1wrs h LEU 26 Cb 1.11 0.82 0.00 0.00 -0.73 0.00 0.00 40.66 41.86 1wrs h LEU 26 CO -0.71 -0.30 -0.21 0.50 -0.62 0.00 0.00 178.44 177.10 1wrs h LYS 27 N -0.13 -0.58 0.00 1.25 3.64 -0.05 -2.19 116.57 118.50 1wrs h LYS 27 Ca 0.18 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1wrs h LYS 27 Cb 0.52 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1wrs h LYS 27 CO -0.82 -0.39 0.31 -1.71 -2.27 0.00 0.00 179.45 174.58 1wrs n ASN 28 N -4.71 0.00 -0.03 4.20 2.85 -0.66 -0.68 115.26 116.23 1wrs n ASN 28 Ca -0.07 0.14 -0.02 0.00 -0.11 0.00 0.00 54.58 54.51 1wrs n ASN 28 Cb 0.24 -0.14 -0.05 0.00 1.24 0.00 0.00 39.78 41.07 1wrs n ASN 28 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wrs n ALA 29 N -1.10 1.89 -0.32 5.20 0.00 -0.40 -4.65 120.51 121.13 1wrs n ALA 29 Ca 0.00 -0.37 0.14 0.00 0.00 0.00 0.00 53.44 53.21 1wrs n ALA 29 Cb 0.31 0.10 0.33 0.00 0.00 0.00 0.00 19.45 20.19 1wrs n ALA 29 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wrs h TYR 30 N 0.00 0.81 0.00 0.00 5.03 -0.24 0.86 116.97 123.43 1wrs h TYR 30 Ca -0.15 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.18 1wrs h TYR 30 Cb 1.28 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 1wrs h TYR 30 CO 0.00 0.02 -0.08 1.96 -1.32 0.00 0.00 178.16 178.74 1wrs h GLN 31 N 0.49 0.00 0.00 1.82 7.50 -1.83 -2.63 115.11 120.46 1wrs h GLN 31 Ca 0.59 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.74 1wrs h GLN 31 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.62 1wrs h GLN 31 CO -0.49 0.08 -0.99 -1.71 -1.50 0.00 0.00 178.83 174.22 1wrs n ASN 32 N -3.36 0.86 0.00 1.46 2.85 0.26 -4.96 115.26 112.36 1wrs n ASN 32 Ca -0.01 -0.85 0.00 0.00 -0.11 0.00 0.00 54.58 53.61 1wrs n ASN 32 Cb 0.25 1.09 0.00 0.00 1.24 0.00 0.00 39.78 42.36 1wrs n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1wrs n ASP 33 N -1.52 -2.75 0.08 1.20 2.03 0.12 -4.88 116.55 110.84 1wrs n ASP 33 Ca 0.03 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.46 1wrs n ASP 33 Cb 0.32 -0.46 0.18 0.00 -0.72 0.00 0.00 41.12 40.44 1wrs n ASP 33 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wrs h LEU 34 N 0.00 0.00 -1.96 -2.67 -0.00 -1.74 -3.35 115.31 105.59 1wrs h LEU 34 Ca 0.00 -0.15 0.22 0.00 -0.00 0.00 0.00 57.88 57.96 1wrs h LEU 34 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1wrs h LEU 34 CO 0.00 0.07 0.56 1.12 -0.00 0.00 0.00 178.44 180.19 1wrs h HIS 35 N 0.00 0.05 0.45 1.13 2.07 -1.85 -2.20 115.15 114.80 1wrs h HIS 35 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1wrs h HIS 35 Cb 0.79 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.76 1wrs h HIS 35 CO 0.00 0.01 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.59 1wrs h LEU 36 N 0.04 -0.51 -1.98 6.12 3.38 -1.93 0.87 115.31 121.30 1wrs h LEU 36 Ca 0.38 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.53 1wrs h LEU 36 Cb 1.45 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 1wrs h LEU 36 CO -0.02 -0.25 0.49 -0.65 0.09 0.00 0.00 178.44 178.09 1wrs h PRO 37 N -0.82 0.00 0.13 1.13 0.10 -1.79 0.23 132.00 130.99 1wrs h PRO 37 Ca -0.06 0.00 -0.31 0.00 0.10 0.00 0.00 66.00 65.73 1wrs h PRO 37 Cb 0.46 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.55 1wrs h PRO 37 CO 0.10 0.00 -1.57 -0.07 0.10 0.00 0.00 178.00 176.56 1wrs h LEU 38 N 0.00 0.43 0.01 2.35 3.38 -1.25 -3.34 115.31 116.89 1wrs h LEU 38 Ca 0.27 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1wrs h LEU 38 Cb 1.24 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1wrs h LEU 38 CO -0.00 1.50 -0.42 -0.07 0.09 0.00 0.00 178.44 179.54 1wrs h LEU 39 N 0.07 -1.29 0.00 1.67 4.07 0.29 0.58 115.31 120.71 1wrs h LEU 39 Ca -0.26 0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1wrs h LEU 39 Cb 2.03 0.50 0.00 0.00 1.08 0.00 0.00 40.66 44.27 1wrs h LEU 39 CO 0.17 -0.46 0.00 -0.46 -1.08 0.00 0.00 178.44 176.60 1wrs n ASN 40 N -5.45 0.00 -0.05 -0.43 0.23 -1.08 -2.02 115.26 106.46 1wrs n ASN 40 Ca -0.06 -0.26 -0.04 0.00 -0.53 0.00 0.00 54.58 53.70 1wrs n ASN 40 Cb 0.37 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.06 1wrs n ASN 40 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1wrs n LEU 41 N -0.87 1.09 -0.13 -4.53 7.94 0.20 -4.23 117.00 116.47 1wrs n LEU 41 Ca 0.04 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 1wrs n LEU 41 Cb 0.02 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.27 1wrs n LEU 41 CO 0.03 -0.45 0.43 1.15 -1.11 0.00 0.00 177.39 177.44 1wrs n MET 42 N -3.65 0.98 -4.36 1.96 0.00 -0.95 -4.74 117.12 106.35 1wrs n MET 42 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.46 1wrs n MET 42 Cb 0.20 -1.13 -0.10 0.00 0.00 0.00 0.00 33.22 32.19 1wrs n MET 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wrs s LEU 43 N -0.74 1.82 0.00 3.17 1.43 -0.86 -5.02 118.68 118.47 1wrs s LEU 43 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1wrs s LEU 43 Cb 0.00 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1wrs s LEU 43 CO 0.00 -0.69 0.00 0.41 0.23 0.00 0.00 176.35 176.30 1wrs n THR 44 N -0.54 0.00 -0.14 5.49 -1.04 -1.26 -4.70 114.28 112.09 1wrs n THR 44 Ca -0.01 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1wrs n THR 44 Cb 0.66 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.07 1wrs n THR 44 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1wrs n PRO 45 N 0.00 0.58 0.24 -2.82 -0.04 -1.26 -4.19 135.00 127.52 1wrs n PRO 45 Ca 0.00 0.25 0.17 0.00 -0.04 0.00 0.00 63.50 63.87 1wrs n PRO 45 Cb 0.00 -1.47 0.75 0.00 -0.04 0.00 0.00 33.50 32.74 1wrs n PRO 45 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wrs h ASP 46 N -0.92 0.00 0.08 3.54 3.32 -1.99 -0.37 116.42 120.08 1wrs h ASP 46 Ca -0.69 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.36 1wrs h ASP 46 Cb 1.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1wrs h ASP 46 CO -0.40 0.00 -0.04 -0.33 -1.72 0.00 0.00 179.24 176.75 1wrs h GLU 47 N 0.00 -0.11 0.00 3.56 5.08 -1.98 -1.74 114.58 119.39 1wrs h GLU 47 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1wrs h GLU 47 Cb 0.90 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1wrs h GLU 47 CO -0.00 0.45 0.00 -2.13 -1.00 0.00 0.00 179.01 176.32 1wrs n ARG 48 N -4.83 0.10 -0.03 2.33 0.63 -0.20 -0.37 116.66 114.28 1wrs n ARG 48 Ca -0.08 0.55 -0.02 0.00 -0.92 0.00 0.00 57.85 57.38 1wrs n ARG 48 Cb 0.30 -1.79 -0.01 0.00 0.45 0.00 0.00 32.46 31.41 1wrs n ARG 48 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1wrs h GLU 49 N 0.00 0.00 -0.53 -0.14 4.22 -1.29 -3.33 114.58 113.51 1wrs h GLU 49 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1wrs h GLU 49 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1wrs h GLU 49 CO 0.00 0.00 0.29 0.00 -2.18 0.00 0.00 179.01 177.12 1wrs h ALA 50 N -1.51 0.68 -0.23 2.92 0.00 -1.22 -2.87 119.26 117.03 1wrs h ALA 50 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1wrs h ALA 50 Cb 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1wrs h ALA 50 CO 0.00 0.20 -0.52 1.25 0.00 0.00 0.00 179.25 180.18 1wrs h LEU 51 N 0.71 -1.68 -0.76 0.00 5.85 -0.92 -0.12 115.31 118.39 1wrs h LEU 51 Ca 0.19 0.21 0.16 0.00 0.84 0.00 0.00 57.88 59.27 1wrs h LEU 51 Cb 0.05 0.67 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 1wrs h LEU 51 CO -0.03 -0.42 0.26 1.23 -0.34 0.00 0.00 178.44 179.13 1wrs h GLY 52 N -0.48 1.14 0.00 3.75 0.00 -1.65 -2.47 103.07 103.36 1wrs h GLY 52 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1wrs h GLY 52 CO -0.47 -0.16 0.00 2.41 0.00 0.00 0.00 176.54 178.31 1wrs n THR 53 N -5.08 0.00 -0.41 4.70 -1.04 -0.10 0.93 114.28 113.29 1wrs n THR 53 Ca 0.15 1.00 0.37 0.00 -2.04 0.00 0.00 64.05 63.53 1wrs n THR 53 Cb 0.46 -1.71 0.64 0.00 -1.82 0.00 0.00 70.33 67.91 1wrs n THR 53 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wrs n ARG 54 N -0.81 -0.05 0.04 -2.82 1.74 -0.94 0.24 116.66 114.06 1wrs n ARG 54 Ca 0.00 1.31 -0.09 0.00 -0.77 0.00 0.00 57.85 58.30 1wrs n ARG 54 Cb 0.00 -2.48 0.04 0.00 -1.02 0.00 0.00 32.46 29.01 1wrs n ARG 54 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1wrs h VAL 55 N 0.00 1.36 0.08 1.55 2.07 -0.91 -1.19 116.25 119.21 1wrs h VAL 55 Ca 0.87 -2.02 -0.29 0.00 0.82 0.00 0.00 66.70 66.09 1wrs h VAL 55 Cb 2.59 2.00 0.02 0.00 -1.52 0.00 0.00 31.29 34.38 1wrs h VAL 55 CO -0.60 0.61 -1.17 0.08 0.02 0.00 0.00 177.57 176.51 1wrs h ARG 56 N 0.32 0.62 -0.10 1.57 0.11 0.99 -2.90 114.38 114.99 1wrs h ARG 56 Ca -0.02 -0.77 -0.19 0.00 0.10 0.00 0.00 59.98 59.10 1wrs h ARG 56 Cb 1.22 0.24 -0.00 0.00 1.11 0.00 0.00 29.97 32.55 1wrs h ARG 56 CO 0.12 1.34 -0.73 0.97 0.10 0.00 0.00 179.97 181.77 1wrs h ILE 57 N 0.30 1.35 0.31 0.08 -0.00 -0.79 -2.43 117.51 116.33 1wrs h ILE 57 Ca -0.16 -2.09 -0.01 0.00 -0.00 0.00 0.00 64.86 62.60 1wrs h ILE 57 Cb 1.84 2.07 -0.01 0.00 -0.00 0.00 0.00 36.82 40.72 1wrs h ILE 57 CO 0.22 0.64 -0.24 0.58 -0.00 0.00 0.00 178.15 179.35 1wrs h VAL 58 N 0.34 0.00 -0.83 2.19 2.07 -1.26 -2.45 116.25 116.31 1wrs h VAL 58 Ca -0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.69 1wrs h VAL 58 Cb 1.32 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 1wrs h VAL 58 CO 0.13 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.64 1wrs h GLU 59 N -0.53 0.28 -0.87 1.57 5.08 -1.58 0.17 114.58 118.70 1wrs h GLU 59 Ca -0.04 -0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.53 1wrs h GLU 59 Cb 0.44 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.49 1wrs h GLU 59 CO 0.01 0.18 0.25 1.49 -1.00 0.00 0.00 179.01 179.94 1wrs h GLU 60 N 0.28 0.23 -0.03 2.33 4.81 -0.98 0.22 114.58 121.45 1wrs h GLU 60 Ca 0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1wrs h GLU 60 Cb 0.93 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1wrs h GLU 60 CO -0.57 0.15 -0.01 1.28 -0.73 0.00 0.00 179.01 179.14 1wrs n LEU 61 N -5.20 2.85 -1.34 1.64 4.77 0.23 -4.17 117.00 115.79 1wrs n LEU 61 Ca 0.21 -0.95 0.09 0.00 -0.03 0.00 0.00 56.01 55.32 1wrs n LEU 61 Cb 0.66 -0.00 0.30 0.00 -2.33 0.00 0.00 43.42 42.05 1wrs n LEU 61 CO 0.08 0.48 0.75 -0.11 -1.33 0.00 0.00 177.39 177.25 1wrs n LEU 62 N 1.22 3.92 0.00 2.23 7.94 0.77 -4.62 117.00 128.46 1wrs n LEU 62 Ca 0.14 -1.97 0.00 0.00 -1.11 0.00 0.00 56.01 53.07 1wrs n LEU 62 Cb 0.58 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1wrs n LEU 62 CO 0.15 0.76 0.00 0.54 -1.11 0.00 0.00 177.39 177.74 1wrs n ARG 63 N 1.10 0.00 0.04 1.96 1.74 -1.08 -4.98 116.66 115.43 1wrs n ARG 63 Ca 0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1wrs n ARG 63 Cb 0.70 -0.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wrs n GLY 64 N 2.61 -0.06 0.00 -0.13 0.00 -1.26 -5.11 105.19 101.24 1wrs n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wrs n GLY 64 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wrs n GLU 65 N -2.99 0.00 -1.63 1.61 0.28 -1.26 -5.09 120.64 111.55 1wrs n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1wrs n GLU 65 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1wrs n GLU 65 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1wrs n MET 66 N -0.04 -0.35 -2.98 3.44 2.81 -1.26 -4.78 117.12 113.97 1wrs n MET 66 Ca 0.00 0.47 -0.14 0.00 -1.81 0.00 0.00 57.70 56.22 1wrs n MET 66 Cb 0.00 -0.43 0.02 0.00 -0.71 0.00 0.00 33.22 32.10 1wrs n MET 66 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1wrs n SER 67 N 1.55 -0.36 0.00 7.83 7.64 -1.26 -4.64 113.62 124.38 1wrs n SER 67 Ca 0.00 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1wrs n SER 67 Cb 0.13 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1wrs n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wrs n GLN 68 N 0.25 0.57 -0.18 1.43 6.02 -1.26 -4.81 117.38 119.40 1wrs n GLN 68 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1wrs n GLN 68 Cb 0.69 -0.62 0.00 0.00 1.02 0.00 0.00 30.24 31.33 1wrs n GLN 68 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wrs n ARG 69 N -1.25 0.93 -0.87 -1.09 3.00 -1.26 -3.99 116.66 112.13 1wrs n ARG 69 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 1wrs n ARG 69 Cb 0.12 -1.03 0.24 0.00 0.00 0.00 0.00 32.46 31.79 1wrs n ARG 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1wrs n GLU 70 N 0.92 2.71 -2.52 -0.14 0.28 -1.26 -5.00 120.64 115.62 1wrs n GLU 70 Ca 0.00 -3.06 -0.38 0.00 -0.16 0.00 0.00 57.16 53.56 1wrs n GLU 70 Cb 0.47 -2.01 -0.04 0.00 1.43 0.00 0.00 31.44 31.29 1wrs n GLU 70 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wrs s LEU 71 N -3.10 4.29 -0.08 -1.84 1.43 -1.26 -4.90 118.68 113.23 1wrs s LEU 71 Ca 0.50 2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 55.42 1wrs s LEU 71 Cb 0.42 -3.98 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 1wrs s LEU 71 CO 0.08 -0.36 1.65 -0.75 0.23 0.00 0.00 176.35 177.20 1wrs s LYS 72 N -2.10 4.12 0.00 1.70 2.20 -1.26 -4.94 119.74 119.46 1wrs s LYS 72 Ca 0.53 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1wrs s LYS 72 Cb -0.26 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 1wrs s LYS 72 CO 0.33 -0.92 0.00 0.09 -0.36 0.00 0.00 175.35 174.48 1wrs n ASN 73 N 7.37 0.00 0.17 1.43 5.03 -1.26 -5.09 115.26 122.91 1wrs n ASN 73 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1wrs n ASN 73 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 1wrs n ASN 73 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wrs n GLU 74 N 0.00 0.00 0.00 3.52 1.02 -1.26 -4.89 120.64 119.03 1wrs n GLU 74 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1wrs n GLU 74 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1wrs n GLU 74 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wrs n LEU 75 N -3.43 1.28 -0.13 -4.62 4.77 -1.26 -4.58 117.00 109.03 1wrs n LEU 75 Ca 0.00 -0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 1wrs n LEU 75 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1wrs n LEU 75 CO 0.00 0.28 0.49 1.23 -1.33 0.00 0.00 177.39 178.07 1wrs h GLY 76 N 4.75 -1.63 0.00 -0.72 0.00 -1.96 -3.47 103.07 100.04 1wrs h GLY 76 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 47.33 48.21 1wrs h GLY 76 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 176.54 176.08 1wrs n ALA 77 N -3.00 0.00 -3.48 3.60 0.00 -1.26 -5.08 120.51 111.28 1wrs n ALA 77 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1wrs n ALA 77 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 1wrs n ALA 77 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wrs s GLY 78 N 0.00 -0.55 0.15 0.00 0.00 -1.26 -5.03 107.32 100.63 1wrs s GLY 78 Ca 0.00 1.02 -0.18 0.00 0.00 0.00 0.00 44.72 45.55 1wrs s GLY 78 CO 0.00 0.57 1.70 1.19 0.00 0.00 0.00 173.10 176.56 1wrs h ILE 79 N 2.43 0.75 0.63 0.90 6.09 -2.00 -2.67 117.51 123.64 1wrs h ILE 79 Ca -0.28 -0.02 -0.03 0.00 -1.37 0.00 0.00 64.86 63.16 1wrs h ILE 79 Cb 1.22 0.69 0.01 0.00 0.47 0.00 0.00 36.82 39.21 1wrs h ILE 79 CO 0.37 0.01 -0.30 0.00 -3.07 0.00 0.00 178.15 175.16 1wrs h ALA 80 N 1.28 -0.84 -0.94 0.18 0.00 -2.01 -3.07 119.26 113.86 1wrs h ALA 80 Ca 0.14 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1wrs h ALA 80 Cb 0.20 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.17 1wrs h ALA 80 CO -0.27 -0.94 -0.38 2.41 0.00 0.00 0.00 179.25 180.07 1wrs n THR 81 N -5.43 -0.50 0.31 0.00 -1.04 -1.11 0.45 114.28 106.95 1wrs n THR 81 Ca -0.13 2.22 0.19 0.00 -2.04 0.00 0.00 64.05 64.29 1wrs n THR 81 Cb 0.35 -2.92 0.95 0.00 -1.82 0.00 0.00 70.33 66.89 1wrs n THR 81 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1wrs h ILE 82 N 0.00 0.08 0.00 12.58 3.07 -1.45 -3.12 117.51 128.66 1wrs h ILE 82 Ca 0.32 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.46 1wrs h ILE 82 Cb 0.56 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 1wrs h ILE 82 CO -0.93 0.01 0.00 0.35 -1.05 0.00 0.00 178.15 176.53 1wrs n THR 83 N -3.16 0.00 0.00 0.16 -2.24 0.17 -3.50 114.28 105.71 1wrs n THR 83 Ca -0.01 0.57 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1wrs n THR 83 Cb 0.19 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1wrs n THR 83 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wrs n ARG 84 N -1.51 0.00 -0.06 -0.78 0.00 -1.17 -1.32 116.66 111.82 1wrs n ARG 84 Ca 0.00 0.18 -0.13 0.00 -0.00 0.00 0.00 57.85 57.90 1wrs n ARG 84 Cb 0.00 -1.64 -0.06 0.00 -0.00 0.00 0.00 32.46 30.76 1wrs n ARG 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1wrs h GLY 85 N 0.00 0.42 0.00 2.89 0.00 -1.58 -3.20 103.07 101.60 1wrs h GLY 85 Ca 0.00 -0.41 -0.35 0.00 0.00 0.00 0.00 47.33 46.57 1wrs h GLY 85 CO 0.00 0.37 -2.29 -1.26 0.00 0.00 0.00 176.54 173.36 1wrs n SER 86 N -4.55 2.14 0.00 0.19 2.88 -0.44 -4.34 113.62 109.50 1wrs n SER 86 Ca -0.06 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1wrs n SER 86 Cb 0.35 -0.43 0.02 0.00 -0.75 0.00 0.00 64.21 63.40 1wrs n SER 86 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wrs n ASN 87 N -3.35 0.00 0.21 -3.46 3.02 -0.91 -2.73 115.26 108.03 1wrs n ASN 87 Ca -0.41 -0.73 0.10 0.00 -0.03 0.00 0.00 54.58 53.51 1wrs n ASN 87 Cb 0.90 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 40.44 1wrs n ASN 87 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1wrs h SER 88 N 0.00 0.00 -0.92 6.41 0.02 -1.74 -3.27 113.55 114.04 1wrs h SER 88 Ca 0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 1wrs h SER 88 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1wrs h SER 88 CO 0.00 0.21 1.07 0.18 -1.14 0.00 0.00 176.83 177.14 1wrs n LEU 89 N -3.27 0.00 -0.05 5.07 4.77 -1.11 0.43 117.00 122.85 1wrs n LEU 89 Ca 0.01 0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 56.56 1wrs n LEU 89 Cb 0.48 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1wrs n LEU 89 CO 0.34 -0.66 -0.60 0.29 -1.33 0.00 0.00 177.39 175.42 1wrs n LYS 90 N -2.99 0.31 0.00 3.23 5.02 -1.23 -4.55 118.16 117.95 1wrs n LYS 90 Ca 0.21 0.13 0.01 0.00 -2.02 0.00 0.00 58.31 56.64 1wrs n LYS 90 Cb 1.34 -1.04 0.07 0.00 -0.02 0.00 0.00 35.03 35.38 1wrs n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wrs n ALA 91 N -3.93 1.31 -1.79 7.82 0.00 -0.69 -4.73 120.51 118.49 1wrs n ALA 91 Ca -0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1wrs n ALA 91 Cb 0.44 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 1wrs n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs s ALA 92 N -2.62 3.57 0.15 0.00 0.00 0.17 -4.91 121.76 118.11 1wrs s ALA 92 Ca 0.02 1.40 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 1wrs s ALA 92 Cb 0.02 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1wrs s ALA 92 CO 0.04 -0.82 1.66 -1.25 0.00 0.00 0.00 175.76 175.39 1wrs s PRO 93 N -1.52 4.18 0.00 0.00 0.04 -1.26 -4.84 135.00 131.60 1wrs s PRO 93 Ca 0.53 2.44 0.12 0.00 0.04 0.00 0.00 61.00 64.13 1wrs s PRO 93 Cb -0.43 -3.29 0.59 0.00 0.04 0.00 0.00 34.50 31.41 1wrs s PRO 93 CO 0.54 -0.70 1.27 0.28 0.04 0.00 0.00 177.00 178.43 1wrs n VAL 94 N 4.24 0.68 0.78 -0.36 0.31 -1.26 -1.56 118.33 121.15 1wrs n VAL 94 Ca 0.15 0.17 0.09 0.00 -0.01 0.00 0.00 64.34 64.74 1wrs n VAL 94 Cb 0.38 -0.98 0.26 0.00 -0.91 0.00 0.00 33.84 32.59 1wrs n VAL 94 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wrs n GLU 95 N -1.28 1.97 -0.10 5.55 1.02 -1.26 -4.09 120.64 122.46 1wrs n GLU 95 Ca 0.06 -1.50 -0.16 0.00 -0.02 0.00 0.00 57.16 55.54 1wrs n GLU 95 Cb 0.09 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.04 1wrs n GLU 95 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1wrs n LEU 96 N 0.71 2.70 -0.18 -4.62 7.94 -0.60 -4.54 117.00 118.42 1wrs n LEU 96 Ca 0.16 -0.04 -0.01 0.00 -1.11 0.00 0.00 56.01 55.01 1wrs n LEU 96 Cb 0.38 -0.70 0.08 0.00 0.53 0.00 0.00 43.42 43.72 1wrs n LEU 96 CO 0.12 0.77 0.91 0.03 -1.11 0.00 0.00 177.39 178.11 1wrs h ARG 97 N -0.15 0.24 0.00 1.96 -0.00 -1.71 0.42 114.38 115.13 1wrs h ARG 97 Ca -0.47 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 1wrs h ARG 97 Cb 1.66 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.58 1wrs h ARG 97 CO -0.12 0.16 0.00 1.96 0.00 0.00 0.00 179.97 181.96 1wrs h GLN 98 N 0.24 0.00 0.00 0.04 4.20 -1.81 -3.13 115.11 114.65 1wrs h GLN 98 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1wrs h GLN 98 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1wrs h GLN 98 CO -0.36 0.00 -0.15 1.87 -0.67 0.00 0.00 178.83 179.52 1wrs n TRP 99 N -2.67 0.00 -0.38 2.96 -0.00 0.08 -4.73 117.44 112.70 1wrs n TRP 99 Ca -0.02 0.00 0.35 0.00 -0.00 0.00 0.00 57.50 57.83 1wrs n TRP 99 Cb 0.05 -0.08 0.62 0.00 -0.00 0.00 0.00 31.31 31.91 1wrs n TRP 99 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1wrs n LEU 100 N -3.12 0.30 -0.45 5.87 7.99 0.12 0.14 117.00 127.85 1wrs n LEU 100 Ca -0.02 1.56 0.38 0.00 -0.01 0.00 0.00 56.01 57.91 1wrs n LEU 100 Cb 0.08 -0.76 0.68 0.00 -0.11 0.00 0.00 43.42 43.30 1wrs n LEU 100 CO 0.03 -1.73 1.30 -0.33 -1.51 0.00 0.00 177.39 175.15 1wrs h GLU 101 N 0.00 0.10 0.02 3.23 5.08 -1.71 1.17 114.58 122.47 1wrs h GLU 101 Ca 0.86 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.90 1wrs h GLU 101 Cb 2.46 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 31.64 1wrs h GLU 101 CO -0.66 0.07 -1.86 0.39 -1.00 0.00 0.00 179.01 175.94 1wrs n GLU 102 N -4.46 0.66 0.02 2.33 1.02 0.38 -2.71 120.64 117.88 1wrs n GLU 102 Ca 0.35 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.87 1wrs n GLU 102 Cb 1.43 -1.74 0.49 0.00 -0.02 0.00 0.00 31.44 31.60 1wrs n GLU 102 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wrs n VAL 103 N -3.08 0.11 -0.11 2.62 0.31 0.19 -3.30 118.33 115.06 1wrs n VAL 103 Ca -0.22 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 63.82 1wrs n VAL 103 Cb 1.06 -0.35 -0.11 0.00 -0.91 0.00 0.00 33.84 33.54 1wrs n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1wrs n LEU 104 N -1.65 1.89 0.06 7.52 7.94 0.35 -3.97 117.00 129.14 1wrs n LEU 104 Ca 0.06 0.40 -0.06 0.00 -1.11 0.00 0.00 56.01 55.30 1wrs n LEU 104 Cb 0.36 -0.92 -0.04 0.00 0.53 0.00 0.00 43.42 43.35 1wrs n LEU 104 CO 0.30 0.33 0.51 -0.07 -1.11 0.00 0.00 177.39 177.35 1wrs h LEU 105 N -1.00 -0.55 -0.19 -1.96 -0.00 -1.61 0.15 115.31 110.16 1wrs h LEU 105 Ca -0.44 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1wrs h LEU 105 Cb 1.37 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 42.22 1wrs h LEU 105 CO -0.27 -0.22 0.30 0.29 -0.00 0.00 0.00 178.44 178.55 1wrs n LYS 106 N -3.50 0.02 -0.25 1.13 4.76 -1.21 -5.11 118.16 114.00 1wrs n LYS 106 Ca -0.04 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1wrs n LYS 106 Cb 0.16 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1wrs n LYS 106 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46