#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrs n SER 5 N 0.00 -1.07 -4.73 1.69 7.64 -1.26 -5.12 113.62 110.77 1wrs n SER 5 Ca 0.00 -2.87 -0.42 0.00 1.01 0.00 0.00 58.87 56.60 1wrs n SER 5 Cb 0.00 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1wrs n SER 5 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1wrs s PRO 6 N -0.36 4.31 -0.94 1.43 0.02 -1.26 -4.95 135.00 133.26 1wrs s PRO 6 Ca 0.34 2.18 -0.19 0.00 0.02 0.00 0.00 61.00 63.35 1wrs s PRO 6 Cb 0.17 -3.17 0.13 0.00 0.02 0.00 0.00 34.50 31.65 1wrs s PRO 6 CO -0.16 -0.38 1.14 0.71 -0.33 0.00 0.00 177.00 177.97 1wrs s TYR 7 N 0.34 3.14 -1.24 6.54 1.51 -1.26 -4.42 117.35 121.96 1wrs s TYR 7 Ca 0.60 -1.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.20 1wrs s TYR 7 Cb -0.39 -4.28 -0.01 0.00 -0.11 0.00 0.00 41.96 37.17 1wrs s TYR 7 CO 0.38 -1.48 0.77 0.45 -1.11 0.00 0.00 175.55 174.56 1wrs n SER 8 N 6.49 -2.52 0.00 2.29 2.88 -1.26 -4.62 113.62 116.88 1wrs n SER 8 Ca 0.24 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1wrs n SER 8 Cb 0.49 -4.24 0.00 0.00 -0.75 0.00 0.00 64.21 59.71 1wrs n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wrs n ALA 9 N -4.11 0.00 -2.59 -1.46 0.00 -1.26 -4.84 120.51 106.25 1wrs n ALA 9 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 1wrs n ALA 9 Cb 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 1wrs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs s ALA 10 N -1.59 0.56 -0.96 0.00 0.00 -1.26 -5.04 121.76 113.48 1wrs s ALA 10 Ca 0.00 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 1wrs s ALA 10 Cb 0.00 1.22 0.10 0.00 0.00 0.00 0.00 23.12 24.44 1wrs s ALA 10 CO 0.00 -0.69 1.24 -1.64 0.00 0.00 0.00 175.76 174.68 1wrs s MET 11 N -4.09 3.58 0.67 0.00 -1.94 -1.26 -5.00 119.30 111.26 1wrs s MET 11 Ca 0.31 -1.50 -0.17 0.00 -1.71 0.00 0.00 55.69 52.62 1wrs s MET 11 Cb 0.04 -5.06 -0.00 0.00 2.01 0.00 0.00 34.83 31.81 1wrs s MET 11 CO 0.10 -1.94 1.21 0.00 -0.01 0.00 0.00 175.02 174.38 1wrs n ALA 12 N 7.45 0.75 -0.06 3.03 0.00 -1.26 -4.95 120.51 125.47 1wrs n ALA 12 Ca 0.27 -0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 1wrs n ALA 12 Cb 0.50 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 1wrs n ALA 12 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wrs h GLU 13 N 0.28 0.02 -7.52 0.00 5.08 -2.04 -3.47 114.58 106.91 1wrs h GLU 13 Ca -0.50 -0.03 -0.42 0.00 -1.00 0.00 0.00 59.36 57.42 1wrs h GLU 13 Cb 1.34 0.01 0.19 0.00 0.50 0.00 0.00 28.75 30.79 1wrs h GLU 13 CO 0.51 1.01 0.20 1.14 -1.00 0.00 0.00 179.01 180.88 1wrs s GLN 14 N -2.24 -1.03 -0.60 2.33 -2.07 -1.26 -4.93 119.66 109.86 1wrs s GLN 14 Ca -0.19 -0.27 -0.26 0.00 -1.82 0.00 0.00 55.36 52.82 1wrs s GLN 14 Cb -0.02 -1.64 0.04 0.00 -1.09 0.00 0.00 33.01 30.30 1wrs s GLN 14 CO 0.69 -3.55 1.10 1.03 -1.32 0.00 0.00 175.29 173.24 1wrs s ARG 15 N -5.62 3.36 0.00 9.60 0.52 -1.26 -4.63 118.95 120.92 1wrs s ARG 15 Ca 0.73 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.84 1wrs s ARG 15 Cb -0.06 -4.07 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1wrs s ARG 15 CO 0.55 -1.70 0.00 1.58 0.02 0.00 0.00 175.30 175.75 1wrs n HIS 16 N 8.18 0.00 0.00 -0.53 -0.00 -1.26 -4.79 115.22 116.81 1wrs n HIS 16 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1wrs n HIS 16 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 1wrs n HIS 16 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wrs n GLN 17 N 0.00 0.00 -0.31 1.57 6.02 -1.26 -3.19 117.38 120.21 1wrs n GLN 17 Ca 0.00 0.19 0.24 0.00 -0.01 0.00 0.00 57.00 57.42 1wrs n GLN 17 Cb 0.00 -0.63 0.54 0.00 1.02 0.00 0.00 30.24 31.18 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 0.33 0.09 -1.09 5.08 -1.96 0.27 114.58 117.30 1wrs h GLU 18 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wrs h GLU 18 Cb 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1wrs h GLU 18 CO 0.00 0.22 -0.40 2.35 -1.00 0.00 0.00 179.01 180.18 1wrs h TRP 19 N 0.33 -1.16 -1.08 4.33 2.91 -1.87 0.76 115.95 120.17 1wrs h TRP 19 Ca 0.57 0.03 0.32 0.00 1.13 0.00 0.00 58.89 60.95 1wrs h TRP 19 Cb 1.57 0.49 -0.13 0.00 -0.51 0.00 0.00 29.16 30.59 1wrs h TRP 19 CO -0.00 -0.45 0.66 1.25 -1.03 0.00 0.00 178.44 178.87 1wrs h LEU 20 N -0.57 0.46 0.22 0.65 5.85 -0.44 -1.15 115.31 120.33 1wrs h LEU 20 Ca -0.00 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1wrs h LEU 20 Cb 0.57 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1wrs h LEU 20 CO -0.22 -0.06 -0.18 0.03 -0.34 0.00 0.00 178.44 177.67 1wrs h ARG 21 N 0.32 -0.38 -0.97 1.25 2.47 -0.25 0.66 114.38 117.48 1wrs h ARG 21 Ca 0.70 0.03 0.34 0.00 -1.26 0.00 0.00 59.98 59.79 1wrs h ARG 21 Cb 1.77 0.09 -0.18 0.00 -1.65 0.00 0.00 29.97 30.00 1wrs h ARG 21 CO -0.46 -0.25 0.27 0.34 0.56 0.00 0.00 179.97 180.43 1wrs n PHE 22 N -3.42 0.88 0.00 3.04 7.35 -0.48 -2.15 117.46 122.68 1wrs n PHE 22 Ca -0.05 1.15 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 1wrs n PHE 22 Cb 0.17 -1.39 0.00 0.00 0.35 0.00 0.00 39.48 38.62 1wrs n PHE 22 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wrs n VAL 23 N -5.31 0.00 -0.11 -2.13 0.31 -0.57 -2.41 118.33 108.11 1wrs n VAL 23 Ca 0.30 1.06 0.03 0.00 -0.01 0.00 0.00 64.34 65.72 1wrs n VAL 23 Cb 1.00 -2.03 0.06 0.00 -0.91 0.00 0.00 33.84 31.95 1wrs n VAL 23 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1wrs n ASP 24 N -1.90 -0.08 0.00 4.52 2.03 0.22 0.20 116.55 121.54 1wrs n ASP 24 Ca 0.00 0.51 -0.17 0.00 0.52 0.00 0.00 54.79 55.65 1wrs n ASP 24 Cb 0.00 -0.17 -0.12 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.39 -0.54 -2.67 3.38 -1.58 -2.73 115.31 111.55 1wrs h LEU 25 Ca 0.16 -0.84 0.10 0.00 0.09 0.00 0.00 57.88 57.39 1wrs h LEU 25 Cb 0.27 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 1wrs h LEU 25 CO -0.30 1.18 -0.27 0.25 0.09 0.00 0.00 178.44 179.39 1wrs h LEU 26 N -0.36 -0.93 0.10 1.67 5.85 0.26 -0.53 115.31 121.36 1wrs h LEU 26 Ca -0.08 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1wrs h LEU 26 Cb 1.29 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1wrs h LEU 26 CO 0.10 -0.28 -0.05 0.50 -0.34 0.00 0.00 178.44 178.37 1wrs h LYS 27 N -0.13 -0.13 -0.09 1.25 1.63 -1.27 -2.75 116.57 115.08 1wrs h LYS 27 Ca 0.24 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.08 1wrs h LYS 27 Cb 0.52 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1wrs h LYS 27 CO -0.63 -0.09 0.93 -0.91 -3.45 0.00 0.00 179.45 175.30 1wrs h ASN 28 N -0.19 0.00 0.00 4.20 4.21 -1.41 -1.04 115.58 121.35 1wrs h ASN 28 Ca -0.01 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.45 1wrs h ASN 28 Cb 0.11 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 1wrs h ASN 28 CO 0.02 0.00 -0.34 0.00 -1.29 0.00 0.00 177.43 175.82 1wrs h ALA 29 N 0.23 0.06 -0.97 -0.83 0.00 -0.94 -3.31 119.26 113.50 1wrs h ALA 29 Ca 0.04 -0.52 0.28 0.00 0.00 0.00 0.00 54.91 54.72 1wrs h ALA 29 Cb 1.90 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 1wrs h ALA 29 CO -0.00 0.22 1.02 -0.92 0.00 0.00 0.00 179.25 179.58 1wrs h TYR 30 N -1.00 0.00 -0.90 0.00 5.03 -0.89 0.60 116.97 119.81 1wrs h TYR 30 Ca -0.07 0.00 0.18 0.00 2.58 0.00 0.00 58.73 61.41 1wrs h TYR 30 Cb 0.72 0.00 -0.11 0.00 1.55 0.00 0.00 36.73 38.89 1wrs h TYR 30 CO 0.09 0.00 0.47 0.37 -1.32 0.00 0.00 178.16 177.77 1wrs h GLN 31 N 0.00 0.58 0.00 1.82 4.15 -1.64 -3.35 115.11 116.67 1wrs h GLN 31 Ca 0.46 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.85 1wrs h GLN 31 Cb 2.50 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 30.06 1wrs h GLN 31 CO -0.00 0.38 0.00 0.09 -1.93 0.00 0.00 178.83 177.37 1wrs n ASN 32 N -4.89 0.00 0.00 -0.69 3.02 0.21 -5.06 115.26 107.84 1wrs n ASN 32 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1wrs n ASN 32 Cb 0.53 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1wrs n ASN 32 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1wrs n ASP 33 N -2.25 0.00 0.00 6.41 5.68 -0.90 -5.00 116.55 120.49 1wrs n ASP 33 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 1wrs n ASP 33 Cb 0.00 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.12 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1wrs n LEU 34 N 0.00 0.63 -0.49 -2.12 7.99 -1.24 -4.22 117.00 117.55 1wrs n LEU 34 Ca 0.00 -0.11 0.42 0.00 -0.01 0.00 0.00 56.01 56.31 1wrs n LEU 34 Cb 0.00 -0.18 0.76 0.00 -0.11 0.00 0.00 43.42 43.90 1wrs n LEU 34 CO 0.00 0.14 1.38 1.12 -1.51 0.00 0.00 177.39 178.52 1wrs h HIS 35 N 0.00 0.08 0.43 -1.77 2.07 -1.85 -0.58 115.15 113.53 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 0.53 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.49 1wrs h HIS 35 CO 0.00 -0.02 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.57 1wrs h LEU 36 N 0.03 -0.49 -2.00 6.12 3.38 -1.96 0.27 115.31 120.66 1wrs h LEU 36 Ca 0.74 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.69 1wrs h LEU 36 Cb 2.86 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 43.72 1wrs h LEU 36 CO -0.06 -0.06 0.13 -0.65 0.09 0.00 0.00 178.44 177.89 1wrs h PRO 37 N -1.06 0.00 -0.01 1.13 0.10 -1.58 -2.48 132.00 128.11 1wrs h PRO 37 Ca -0.06 0.00 -0.11 0.00 0.10 0.00 0.00 66.00 65.94 1wrs h PRO 37 Cb 0.53 0.00 0.01 0.00 0.10 0.00 0.00 31.00 31.64 1wrs h PRO 37 CO 0.10 0.00 -0.41 -0.07 0.10 0.00 0.00 178.00 177.72 1wrs h LEU 38 N 0.00 0.37 -0.88 2.35 -0.00 -1.06 -3.12 115.31 112.97 1wrs h LEU 38 Ca 0.09 -0.75 0.23 0.00 -0.00 0.00 0.00 57.88 57.45 1wrs h LEU 38 Cb 0.35 -0.11 -0.14 0.00 -0.00 0.00 0.00 40.66 40.75 1wrs h LEU 38 CO -0.00 1.08 0.26 -0.07 -0.00 0.00 0.00 178.44 179.71 1wrs h LEU 39 N -0.29 0.06 -0.95 1.67 4.07 -0.00 0.92 115.31 120.77 1wrs h LEU 39 Ca -0.05 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1wrs h LEU 39 Cb 1.13 0.24 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1wrs h LEU 39 CO 0.08 -0.13 0.00 0.78 -1.08 0.00 0.00 178.44 178.09 1wrs h ASN 40 N 0.24 0.00 0.02 -0.43 4.21 -1.48 -2.19 115.58 115.95 1wrs h ASN 40 Ca 0.56 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 58.02 1wrs h ASN 40 Cb 1.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1wrs h ASN 40 CO -0.63 0.00 -0.19 0.25 -1.29 0.00 0.00 177.43 175.57 1wrs h LEU 41 N 0.00 0.12 -4.64 1.61 5.85 0.92 -3.40 115.31 115.77 1wrs h LEU 41 Ca 0.00 -0.92 -0.48 0.00 0.84 0.00 0.00 57.88 57.32 1wrs h LEU 41 Cb 0.42 -0.04 -0.41 0.00 0.37 0.00 0.00 40.66 41.00 1wrs h LEU 41 CO 0.00 1.03 -0.93 0.23 -0.34 0.00 0.00 178.44 178.44 1wrs n MET 42 N -4.52 2.59 0.00 1.25 0.00 -1.04 -4.99 117.12 110.40 1wrs n MET 42 Ca -0.11 -3.97 0.00 0.00 0.00 0.00 0.00 57.70 53.62 1wrs n MET 42 Cb 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 33.22 31.87 1wrs n MET 42 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1wrs n LEU 43 N -0.40 0.00 0.00 4.03 0.00 -0.83 -4.87 117.00 114.93 1wrs n LEU 43 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1wrs n LEU 43 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.19 1wrs n LEU 43 CO 0.30 0.00 0.00 0.41 0.00 0.00 0.00 177.39 178.10 1wrs n THR 44 N 0.00 0.00 0.00 1.96 -1.04 -1.26 -3.82 114.28 110.12 1wrs n THR 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wrs n THR 44 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.54 0.00 0.30 -2.82 -0.04 -1.26 -2.58 135.00 128.06 1wrs n PRO 45 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1wrs n PRO 45 Cb 0.00 0.00 0.74 0.00 -0.04 0.00 0.00 33.50 34.20 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 0.00 0.00 0.35 3.54 3.32 -1.99 -1.15 116.42 120.49 1wrs h ASP 46 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1wrs h ASP 46 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wrs h ASP 46 CO 0.00 0.00 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.02 1wrs h GLU 47 N 0.00 -0.46 -0.85 3.56 3.07 -1.96 0.60 114.58 118.54 1wrs h GLU 47 Ca 0.00 0.03 0.24 0.00 -0.50 0.00 0.00 59.36 59.13 1wrs h GLU 47 Cb 0.62 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 1wrs h GLU 47 CO 0.00 -0.30 0.60 0.00 -1.40 0.00 0.00 179.01 177.91 1wrs h ARG 48 N -0.55 0.04 0.00 2.33 2.47 -0.94 0.85 114.38 118.57 1wrs h ARG 48 Ca -0.05 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1wrs h ARG 48 Cb 0.36 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1wrs h ARG 48 CO 0.08 0.03 0.00 0.39 0.56 0.00 0.00 179.97 181.03 1wrs n GLU 49 N -4.31 0.00 -0.22 0.04 1.02 -1.05 -3.86 120.64 112.27 1wrs n GLU 49 Ca 0.17 0.31 -0.07 0.00 -0.02 0.00 0.00 57.16 57.55 1wrs n GLU 49 Cb 0.89 -0.79 0.03 0.00 -0.02 0.00 0.00 31.44 31.55 1wrs n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wrs h ALA 50 N -2.00 0.78 -0.37 0.62 0.00 0.23 -2.78 119.26 115.74 1wrs h ALA 50 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wrs h ALA 50 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1wrs h ALA 50 CO 0.00 0.33 0.20 1.37 0.00 0.00 0.00 179.25 181.15 1wrs h LEU 51 N 0.83 0.30 0.36 0.00 8.10 -0.84 -2.56 115.31 121.50 1wrs h LEU 51 Ca 0.21 0.01 -0.00 0.00 0.11 0.00 0.00 57.88 58.21 1wrs h LEU 51 Cb 0.10 -0.05 -0.03 0.00 -0.44 0.00 0.00 40.66 40.24 1wrs h LEU 51 CO -0.03 0.22 -0.49 1.23 -4.11 0.00 0.00 178.44 175.26 1wrs h GLY 52 N 0.40 -1.14 0.00 0.17 0.00 -1.58 -2.83 103.07 98.09 1wrs h GLY 52 Ca 0.15 0.57 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1wrs h GLY 52 CO -0.09 -0.33 0.00 2.41 0.00 0.00 0.00 176.54 178.53 1wrs n THR 53 N -5.53 0.00 -0.33 4.70 -1.04 -1.01 0.28 114.28 111.35 1wrs n THR 53 Ca -0.10 0.76 -0.06 0.00 -2.04 0.00 0.00 64.05 62.61 1wrs n THR 53 Cb 0.43 -1.12 -0.02 0.00 -1.82 0.00 0.00 70.33 67.80 1wrs n THR 53 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1wrs h ARG 54 N 0.00 -0.08 0.00 -2.82 0.11 -1.49 1.91 114.38 112.02 1wrs h ARG 54 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1wrs h ARG 54 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1wrs h ARG 54 CO 0.00 -0.05 0.00 -0.24 0.10 0.00 0.00 179.97 179.78 1wrs h VAL 55 N -0.08 0.00 0.00 0.08 3.04 -1.08 -2.34 116.25 115.88 1wrs h VAL 55 Ca 0.24 -0.31 -0.29 0.00 -1.01 0.00 0.00 66.70 65.33 1wrs h VAL 55 Cb 0.54 1.24 -0.05 0.00 -2.01 0.00 0.00 31.29 31.00 1wrs h VAL 55 CO -0.87 0.00 -1.87 -2.11 -1.01 0.00 0.00 177.57 171.71 1wrs n ARG 56 N -2.91 0.65 0.04 4.17 1.85 0.54 -2.48 116.66 118.52 1wrs n ARG 56 Ca -0.00 0.20 -0.20 0.00 -1.00 0.00 0.00 57.85 56.85 1wrs n ARG 56 Cb 0.22 -1.72 -0.11 0.00 -1.05 0.00 0.00 32.46 29.80 1wrs n ARG 56 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 1wrs h ILE 57 N 0.00 1.33 0.20 8.89 -0.00 0.20 -1.24 117.51 126.89 1wrs h ILE 57 Ca -0.34 -2.23 -0.01 0.00 -0.00 0.00 0.00 64.86 62.28 1wrs h ILE 57 Cb 2.02 2.52 0.00 0.00 -0.00 0.00 0.00 36.82 41.36 1wrs h ILE 57 CO 0.06 0.68 -0.10 1.62 -0.00 0.00 0.00 178.15 180.41 1wrs h VAL 58 N 0.20 0.88 0.00 0.16 3.04 -1.59 -2.57 116.25 116.38 1wrs h VAL 58 Ca -0.12 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 1wrs h VAL 58 Cb 1.61 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1wrs h VAL 58 CO 0.18 0.14 0.00 1.21 -1.01 0.00 0.00 177.57 178.09 1wrs n GLU 59 N -5.07 0.10 -0.05 4.17 2.13 -1.03 -0.51 120.64 120.37 1wrs n GLU 59 Ca -0.09 0.50 -0.11 0.00 0.66 0.00 0.00 57.16 58.12 1wrs n GLU 59 Cb 0.23 -1.77 -0.10 0.00 0.27 0.00 0.00 31.44 30.07 1wrs n GLU 59 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1wrs h GLU 60 N 0.00 -0.02 0.00 5.31 4.39 -0.84 -3.35 114.58 120.08 1wrs h GLU 60 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1wrs h GLU 60 Cb 0.13 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1wrs h GLU 60 CO 0.00 0.72 -1.36 1.37 -1.16 0.00 0.00 179.01 178.58 1wrs h LEU 61 N -0.96 0.00 -1.29 1.33 8.10 -1.31 -3.31 115.31 117.86 1wrs h LEU 61 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1wrs h LEU 61 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.96 1wrs h LEU 61 CO 0.00 0.58 0.00 -0.11 -4.11 0.00 0.00 178.44 174.81 1wrs n LEU 62 N -2.92 1.41 -0.04 0.17 7.94 0.34 -3.40 117.00 120.50 1wrs n LEU 62 Ca -0.09 -0.71 -0.07 0.00 -1.11 0.00 0.00 56.01 54.03 1wrs n LEU 62 Cb 0.84 -0.44 -0.03 0.00 0.53 0.00 0.00 43.42 44.31 1wrs n LEU 62 CO 0.43 0.29 -0.75 -1.14 -1.11 0.00 0.00 177.39 175.10 1wrs n ARG 63 N 0.20 0.16 0.00 1.96 0.63 -1.25 -4.95 116.66 113.42 1wrs n ARG 63 Ca 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1wrs n ARG 63 Cb 0.29 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.32 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wrs n GLY 64 N 2.72 0.08 2.02 5.14 0.00 -1.22 -5.07 105.19 108.85 1wrs n GLY 64 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1wrs n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wrs n GLU 65 N -0.19 0.00 -3.81 1.61 1.02 -1.25 -5.14 120.64 112.88 1wrs n GLU 65 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1wrs n GLU 65 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1wrs n GLU 65 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1wrs s MET 66 N -2.00 2.25 0.00 3.49 1.75 -1.26 -4.87 119.30 118.65 1wrs s MET 66 Ca 0.00 -1.45 0.00 0.00 -1.25 0.00 0.00 55.69 52.99 1wrs s MET 66 Cb 0.00 0.63 0.00 0.00 2.84 0.00 0.00 34.83 38.30 1wrs s MET 66 CO 0.00 -1.05 0.00 0.45 -0.65 0.00 0.00 175.02 173.77 1wrs n SER 67 N -1.43 0.00 0.00 1.11 2.88 -1.26 -4.89 113.62 110.03 1wrs n SER 67 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1wrs n SER 67 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1wrs n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wrs n GLN 68 N 0.00 2.19 0.00 -1.46 6.02 -1.26 -4.72 117.38 118.15 1wrs n GLN 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wrs n GLN 68 Cb 0.00 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.37 0.62 -0.01 -1.09 3.00 -1.26 -3.66 116.66 112.89 1wrs n ARG 69 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1wrs n ARG 69 Cb 0.18 -1.20 0.63 0.00 0.00 0.00 0.00 32.46 32.06 1wrs n ARG 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1wrs n GLU 70 N 0.64 1.38 -1.54 -0.14 1.02 -1.26 -5.02 120.64 115.72 1wrs n GLU 70 Ca 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.58 1wrs n GLU 70 Cb 0.29 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1wrs n GLU 70 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1wrs n LEU 71 N -0.29 -1.79 -4.57 -4.62 7.94 -1.24 -4.69 117.00 107.75 1wrs n LEU 71 Ca 0.19 2.84 -0.58 0.00 -1.11 0.00 0.00 56.01 57.35 1wrs n LEU 71 Cb 0.24 -3.00 -0.08 0.00 0.53 0.00 0.00 43.42 41.11 1wrs n LEU 71 CO 0.16 -0.47 0.77 0.29 -1.11 0.00 0.00 177.39 177.03 1wrs n LYS 72 N -2.13 0.37 -0.34 1.96 5.02 -1.26 -4.77 118.16 117.00 1wrs n LYS 72 Ca 0.00 0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.52 1wrs n LYS 72 Cb 0.34 -1.68 0.28 0.00 -0.02 0.00 0.00 35.03 33.95 1wrs n LYS 72 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wrs n ASN 73 N 2.28 3.44 0.00 4.39 2.85 -1.26 -4.92 115.26 122.04 1wrs n ASN 73 Ca 0.21 -2.04 0.00 0.00 -0.11 0.00 0.00 54.58 52.64 1wrs n ASN 73 Cb 0.10 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.68 1wrs n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wrs n GLU 74 N 1.29 0.00 0.08 1.20 -0.58 -1.25 -2.76 120.64 118.61 1wrs n GLU 74 Ca 0.21 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 57.10 1wrs n GLU 74 Cb 0.56 0.00 0.34 0.00 -0.57 0.00 0.00 31.44 31.77 1wrs n GLU 74 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wrs h LEU 75 N 0.00 0.00 0.00 -4.62 3.38 -2.02 -1.97 115.31 110.09 1wrs h LEU 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wrs h LEU 75 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wrs h LEU 75 CO 0.00 0.00 -0.77 0.61 0.09 0.00 0.00 178.44 178.37 1wrs n GLY 76 N -1.56 -0.47 0.00 0.83 0.00 -1.11 -4.99 105.19 97.89 1wrs n GLY 76 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1wrs n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrs n ALA 77 N -4.12 0.00 0.00 4.61 0.00 -0.74 -4.97 120.51 115.29 1wrs n ALA 77 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wrs n ALA 77 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1wrs n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wrs n GLY 78 N 0.00 0.64 0.78 0.00 0.00 -1.26 -3.89 105.19 101.46 1wrs n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wrs n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wrs n ILE 79 N -1.65 0.00 0.00 -0.61 -0.00 -1.26 -4.66 119.36 111.18 1wrs n ILE 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1wrs n ILE 79 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 39.64 38.88 1wrs n ILE 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wrs n ALA 80 N -2.05 0.34 0.18 -1.39 0.00 -1.26 -4.47 120.51 111.85 1wrs n ALA 80 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.30 1wrs n ALA 80 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1wrs n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wrs n THR 81 N -2.36 0.00 0.07 0.00 -1.04 -1.26 0.11 114.28 109.79 1wrs n THR 81 Ca 0.00 0.90 -0.09 0.00 -2.04 0.00 0.00 64.05 62.82 1wrs n THR 81 Cb 0.00 -1.76 -0.12 0.00 -1.82 0.00 0.00 70.33 66.64 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 1.66 -0.57 12.58 3.07 -1.95 -3.31 117.51 128.99 1wrs h ILE 82 Ca 0.09 -3.30 0.00 0.00 1.55 0.00 0.00 64.86 63.20 1wrs h ILE 82 Cb 1.89 2.85 0.00 0.00 -0.27 0.00 0.00 36.82 41.29 1wrs h ILE 82 CO -0.00 0.95 0.00 0.35 -1.05 0.00 0.00 178.15 178.40 1wrs n THR 83 N -3.41 2.72 -0.04 0.16 -2.24 0.29 -4.34 114.28 107.43 1wrs n THR 83 Ca -0.02 -1.41 -0.20 0.00 -2.27 0.00 0.00 64.05 60.15 1wrs n THR 83 Cb 0.95 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.63 0.72 -0.15 -0.78 -4.01 -1.20 -3.97 116.66 107.90 1wrs n ARG 84 Ca 0.28 0.22 0.25 0.00 -1.04 0.00 0.00 57.85 57.56 1wrs n ARG 84 Cb 1.18 -1.65 0.41 0.00 -3.04 0.00 0.00 32.46 29.36 1wrs n ARG 84 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 1wrs h GLY 85 N 1.45 0.00 0.00 2.89 0.00 -1.77 0.36 103.07 106.01 1wrs h GLY 85 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1wrs h GLY 85 CO 0.03 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.31 1wrs n SER 86 N -3.19 0.00 0.00 0.19 2.88 -1.25 -3.84 113.62 108.40 1wrs n SER 86 Ca 0.21 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1wrs n SER 86 Cb 1.45 -0.48 0.01 0.00 -0.75 0.00 0.00 64.21 64.44 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 -1.99 0.00 -0.10 -3.46 3.02 -0.45 -2.78 115.26 109.50 1wrs n ASN 87 Ca 0.00 0.17 0.26 0.00 -0.03 0.00 0.00 54.58 54.99 1wrs n ASN 87 Cb 0.00 -0.18 0.68 0.00 -0.61 0.00 0.00 39.78 39.67 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 -0.99 6.41 0.02 -0.44 -0.75 113.55 117.80 1wrs h SER 88 Ca 0.00 0.00 0.35 0.00 -0.84 0.00 0.00 61.79 61.30 1wrs h SER 88 Cb 0.00 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.37 1wrs h SER 88 CO 0.00 0.00 0.38 -0.07 -1.14 0.00 0.00 176.83 176.00 1wrs h LEU 89 N 0.00 0.11 0.00 5.07 3.38 -1.79 -1.98 115.31 120.09 1wrs h LEU 89 Ca 0.37 0.25 -0.25 0.00 0.09 0.00 0.00 57.88 58.34 1wrs h LEU 89 Cb 1.86 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 42.88 1wrs h LEU 89 CO -0.00 -0.35 -1.83 0.29 0.09 0.00 0.00 178.44 176.64 1wrs n LYS 90 N -5.29 0.32 -0.38 1.13 5.02 -0.34 -4.71 118.16 113.92 1wrs n LYS 90 Ca 0.32 0.14 -0.03 0.00 -2.02 0.00 0.00 58.31 56.72 1wrs n LYS 90 Cb 1.06 -1.05 0.01 0.00 -0.02 0.00 0.00 35.03 35.03 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 -3.70 -0.22 -0.83 7.82 0.00 -0.91 -4.45 120.51 118.22 1wrs n ALA 91 Ca -0.30 0.93 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 1wrs n ALA 91 Cb 0.70 -0.37 0.17 0.00 0.00 0.00 0.00 19.45 19.95 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 -5.82 1.18 1.18 0.00 0.00 -0.75 -4.97 121.76 112.57 1wrs s ALA 92 Ca -0.13 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 1wrs s ALA 92 Cb 0.18 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 20.19 1wrs s ALA 92 CO 0.67 -2.78 0.60 -0.35 0.00 0.00 0.00 175.76 173.89 1wrs n PRO 93 N -4.22 -2.30 -0.05 0.00 -0.04 -1.26 -4.96 135.00 122.16 1wrs n PRO 93 Ca 0.09 -0.65 -0.10 0.00 -0.04 0.00 0.00 63.50 62.79 1wrs n PRO 93 Cb 0.53 -1.97 -0.15 0.00 -0.04 0.00 0.00 33.50 31.88 1wrs n PRO 93 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wrs n VAL 94 N -4.84 1.54 0.65 0.52 0.31 -1.26 -3.98 118.33 111.27 1wrs n VAL 94 Ca 0.01 -0.80 0.03 0.00 -0.01 0.00 0.00 64.34 63.58 1wrs n VAL 94 Cb 0.57 -0.90 0.20 0.00 -0.91 0.00 0.00 33.84 32.80 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 -2.98 0.32 0.00 5.55 1.02 -1.26 -2.49 120.64 120.80 1wrs n GLU 95 Ca -0.25 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.69 1wrs n GLU 95 Cb 1.09 -1.32 -0.14 0.00 -0.02 0.00 0.00 31.44 31.05 1wrs n GLU 95 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wrs h LEU 96 N 0.00 0.33 -2.49 -4.62 5.85 -1.96 -3.31 115.31 109.12 1wrs h LEU 96 Ca 0.00 -0.85 0.01 0.00 0.84 0.00 0.00 57.88 57.88 1wrs h LEU 96 Cb 0.00 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1wrs h LEU 96 CO 0.00 1.51 0.06 0.03 -0.34 0.00 0.00 178.44 179.70 1wrs h ARG 97 N -0.43 0.00 -0.80 1.25 -0.00 -1.74 0.12 114.38 112.79 1wrs h ARG 97 Ca -0.25 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.18 1wrs h ARG 97 Cb 1.64 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.57 1wrs h ARG 97 CO 0.05 0.00 0.32 1.96 0.00 0.00 0.00 179.97 182.29 1wrs h GLN 98 N 0.00 1.19 0.00 0.04 4.20 -1.68 -3.13 115.11 115.74 1wrs h GLN 98 Ca 0.02 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1wrs h GLN 98 Cb 0.13 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1wrs h GLN 98 CO -0.00 0.97 -0.94 1.87 -0.67 0.00 0.00 178.83 180.06 1wrs n TRP 99 N -4.28 0.00 0.32 2.96 -0.00 -0.35 -4.44 117.44 111.66 1wrs n TRP 99 Ca 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.61 1wrs n TRP 99 Cb 0.19 -0.47 0.22 0.00 -0.00 0.00 0.00 31.31 31.25 1wrs n TRP 99 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1wrs h LEU 100 N -0.94 0.00 -1.29 5.87 -0.00 -1.01 1.33 115.31 119.27 1wrs h LEU 100 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.04 1wrs h LEU 100 Cb 0.94 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.52 1wrs h LEU 100 CO 0.00 0.00 0.59 -0.33 -0.00 0.00 0.00 178.44 178.70 1wrs h GLU 101 N 0.00 0.63 0.13 1.13 4.39 -1.71 0.38 114.58 119.53 1wrs h GLU 101 Ca 0.00 -0.04 -0.34 0.00 0.34 0.00 0.00 59.36 59.33 1wrs h GLU 101 Cb 1.61 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 1wrs h GLU 101 CO 0.00 0.42 -1.74 0.93 -1.16 0.00 0.00 179.01 177.45 1wrs h GLU 102 N 0.65 0.28 -0.00 2.33 5.08 0.15 -2.88 114.58 120.18 1wrs h GLU 102 Ca 0.47 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wrs h GLU 102 Cb 0.84 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1wrs h GLU 102 CO -0.22 1.15 -0.12 0.28 -1.00 0.00 0.00 179.01 179.09 1wrs n VAL 103 N -3.47 0.00 -0.09 3.13 0.31 -0.83 -2.73 118.33 114.64 1wrs n VAL 103 Ca -0.23 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 63.96 1wrs n VAL 103 Cb 1.06 -0.30 -0.05 0.00 -0.91 0.00 0.00 33.84 33.63 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 -1.46 1.88 0.21 7.52 7.94 0.13 -4.24 117.00 128.97 1wrs n LEU 104 Ca 0.07 0.46 0.06 0.00 -1.11 0.00 0.00 56.01 55.50 1wrs n LEU 104 Cb 0.33 -0.85 0.46 0.00 0.53 0.00 0.00 43.42 43.89 1wrs n LEU 104 CO 0.29 -0.08 0.78 0.17 -1.11 0.00 0.00 177.39 177.43 1wrs h LEU 105 N -1.00 0.00 -0.97 -1.96 8.10 -1.63 -2.83 115.31 115.02 1wrs h LEU 105 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1wrs h LEU 105 Cb 0.99 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.17 1wrs h LEU 105 CO -0.12 0.30 0.62 0.50 -4.11 0.00 0.00 178.44 175.63 1wrs h LYS 106 N 0.00 1.30 0.00 0.17 3.64 -1.73 -3.51 116.57 116.44 1wrs h LYS 106 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1wrs h LYS 106 Cb 0.64 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1wrs h LYS 106 CO 0.04 0.88 0.00 -1.13 -2.27 0.00 0.00 179.45 176.97