#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 0.42 -2.77 1.08 4.64 -2.13 -3.45 113.55 111.35 1wrs h SER 5 Ca 0.00 -0.88 -0.56 0.00 -0.47 0.00 0.00 61.79 59.88 1wrs h SER 5 Cb 0.00 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1wrs h SER 5 CO 0.00 1.60 1.07 -2.16 -0.87 0.00 0.00 176.83 176.47 1wrs s PRO 6 N -2.48 3.99 -0.21 4.77 0.05 -1.26 -4.98 135.00 134.88 1wrs s PRO 6 Ca -0.18 1.79 -0.18 0.00 0.05 0.00 0.00 61.00 62.48 1wrs s PRO 6 Cb 0.04 -3.96 -0.03 0.00 0.05 0.00 0.00 34.50 30.59 1wrs s PRO 6 CO 0.79 -1.05 0.48 -0.47 0.05 0.00 0.00 177.00 176.80 1wrs s TYR 7 N 4.51 3.35 -0.50 0.56 5.04 -1.26 -4.98 117.35 124.08 1wrs s TYR 7 Ca 0.68 0.70 0.06 0.00 -2.44 0.00 0.00 57.07 56.08 1wrs s TYR 7 Cb -0.26 -2.64 0.21 0.00 0.35 0.00 0.00 41.96 39.62 1wrs s TYR 7 CO 0.26 -0.10 0.73 -1.13 -1.34 0.00 0.00 175.55 173.97 1wrs n SER 8 N 4.82 -2.89 -2.04 4.32 3.41 -1.26 -5.15 113.62 114.82 1wrs n SER 8 Ca -0.06 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1wrs n SER 8 Cb 0.50 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 1wrs n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wrs n ALA 9 N 2.49 0.00 -1.68 7.33 0.00 -1.26 -4.98 120.51 122.41 1wrs n ALA 9 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1wrs n ALA 9 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1wrs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs n ALA 10 N -3.00 1.01 -2.51 0.00 0.00 -1.26 -5.00 120.51 109.74 1wrs n ALA 10 Ca 0.00 0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.43 1wrs n ALA 10 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.15 1wrs n ALA 10 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wrs s MET 11 N -2.23 2.20 0.20 0.00 1.00 -1.26 -5.11 119.30 114.10 1wrs s MET 11 Ca 0.63 -1.70 -0.28 0.00 0.00 0.00 0.00 55.69 54.34 1wrs s MET 11 Cb -0.51 -2.02 -0.08 0.00 0.00 0.00 0.00 34.83 32.22 1wrs s MET 11 CO 0.57 0.08 0.86 0.00 0.00 0.00 0.00 175.02 176.53 1wrs s ALA 12 N -2.50 3.38 -0.02 3.03 0.00 -1.26 -4.94 121.76 119.46 1wrs s ALA 12 Ca 0.37 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1wrs s ALA 12 Cb -0.00 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1wrs s ALA 12 CO 0.21 0.23 0.82 0.39 0.00 0.00 0.00 175.76 177.41 1wrs n GLU 13 N 1.63 0.95 -2.89 0.00 1.02 -1.26 -5.07 120.64 115.01 1wrs n GLU 13 Ca -0.03 -1.13 -0.01 0.00 -0.02 0.00 0.00 57.16 55.97 1wrs n GLU 13 Cb 0.48 -0.76 -0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1wrs n GLU 13 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1wrs n GLN 14 N -0.32 -2.36 -2.71 3.49 1.13 -1.26 -4.81 117.38 110.53 1wrs n GLN 14 Ca 0.02 2.07 -0.42 0.00 -1.94 0.00 0.00 57.00 56.73 1wrs n GLN 14 Cb 0.49 -3.57 -0.03 0.00 0.11 0.00 0.00 30.24 27.24 1wrs n GLN 14 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1wrs s ARG 15 N -1.23 3.37 0.00 -1.09 0.52 -1.26 -4.76 118.95 114.50 1wrs s ARG 15 Ca -0.03 -0.97 0.10 0.00 -0.52 0.00 0.00 55.73 54.31 1wrs s ARG 15 Cb 0.00 -4.69 0.21 0.00 0.52 0.00 0.00 34.95 31.00 1wrs s ARG 15 CO 0.47 -2.00 1.10 1.58 0.02 0.00 0.00 175.30 176.46 1wrs n HIS 16 N 8.20 0.28 0.00 -0.53 -0.00 -1.26 -4.52 115.22 117.40 1wrs n HIS 16 Ca 0.14 -0.34 0.00 0.00 0.46 0.00 0.00 57.72 57.99 1wrs n HIS 16 Cb 0.49 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1wrs n HIS 16 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1wrs n GLN 17 N 0.47 0.00 -0.42 1.57 7.27 -1.26 -3.09 117.38 121.91 1wrs n GLN 17 Ca 0.09 0.00 0.34 0.00 0.07 0.00 0.00 57.00 57.50 1wrs n GLN 17 Cb 0.36 -0.22 0.64 0.00 2.41 0.00 0.00 30.24 33.42 1wrs n GLN 17 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wrs h GLU 18 N 0.00 0.15 0.24 3.69 5.08 -2.00 0.52 114.58 122.26 1wrs h GLU 18 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wrs h GLU 18 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1wrs h GLU 18 CO 0.00 0.10 -0.46 2.35 -1.00 0.00 0.00 179.01 180.00 1wrs h TRP 19 N 0.15 -1.30 -0.85 4.33 2.91 -1.79 -1.83 115.95 117.57 1wrs h TRP 19 Ca 0.75 0.02 0.21 0.00 1.13 0.00 0.00 58.89 61.00 1wrs h TRP 19 Cb 2.35 0.53 -0.13 0.00 -0.51 0.00 0.00 29.16 31.41 1wrs h TRP 19 CO -0.00 -0.55 0.26 1.25 -1.03 0.00 0.00 178.44 178.36 1wrs h LEU 20 N -0.75 0.08 0.00 0.65 6.46 0.11 -2.66 115.31 119.21 1wrs h LEU 20 Ca -0.03 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1wrs h LEU 20 Cb 0.71 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1wrs h LEU 20 CO -0.17 -0.09 0.00 0.54 -0.62 0.00 0.00 178.44 178.10 1wrs n ARG 21 N -5.16 0.00 -0.10 1.25 1.74 -0.70 -0.61 116.66 113.08 1wrs n ARG 21 Ca 0.20 0.65 0.03 0.00 -0.77 0.00 0.00 57.85 57.96 1wrs n ARG 21 Cb 0.61 -1.35 0.06 0.00 -1.02 0.00 0.00 32.46 30.77 1wrs n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wrs n PHE 22 N -2.05 0.15 0.06 -1.55 7.35 -1.00 0.15 117.46 120.56 1wrs n PHE 22 Ca 0.00 0.33 -0.12 0.00 -0.76 0.00 0.00 57.45 56.90 1wrs n PHE 22 Cb 0.00 -0.69 -0.08 0.00 0.35 0.00 0.00 39.48 39.06 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 0.97 -0.38 -2.13 2.07 -1.17 -3.00 116.25 112.61 1wrs h VAL 23 Ca 0.15 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1wrs h VAL 23 Cb 0.29 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1wrs h VAL 23 CO -0.27 0.23 -0.22 -0.67 0.02 0.00 0.00 177.57 176.66 1wrs n ASP 24 N -4.94 -0.40 -0.12 0.57 -0.08 0.41 0.27 116.55 112.25 1wrs n ASP 24 Ca -0.08 1.08 -0.04 0.00 -1.51 0.00 0.00 54.79 54.23 1wrs n ASP 24 Cb 0.27 -0.29 0.03 0.00 2.34 0.00 0.00 41.12 43.47 1wrs n ASP 24 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wrs h LEU 25 N 0.00 -0.09 -0.64 -2.67 3.38 -1.63 -2.02 115.31 111.65 1wrs h LEU 25 Ca 0.06 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1wrs h LEU 25 Cb 0.15 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 1wrs h LEU 25 CO -0.35 -0.01 0.15 0.25 0.09 0.00 0.00 178.44 178.57 1wrs h LEU 26 N 0.15 0.03 -0.45 1.67 6.46 -0.03 -1.21 115.31 121.93 1wrs h LEU 26 Ca 0.20 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1wrs h LEU 26 Cb 0.27 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1wrs h LEU 26 CO -0.30 0.01 0.25 0.50 -0.62 0.00 0.00 178.44 178.28 1wrs h LYS 27 N 0.28 0.63 -0.05 1.25 3.64 0.21 -2.75 116.57 119.78 1wrs h LYS 27 Ca 0.34 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.43 1wrs h LYS 27 Cb 0.52 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1wrs h LYS 27 CO -0.42 0.50 -0.85 -0.91 -2.27 0.00 0.00 179.45 175.50 1wrs h ASN 28 N 0.60 0.57 0.55 4.20 2.35 -1.15 -3.27 115.58 119.42 1wrs h ASN 28 Ca 0.16 -0.41 -0.10 0.00 -0.55 0.00 0.00 56.30 55.40 1wrs h ASN 28 Cb 0.05 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1wrs h ASN 28 CO -0.03 1.19 -0.47 0.00 -1.65 0.00 0.00 177.43 176.47 1wrs h ALA 29 N 0.79 1.14 -0.78 -0.83 0.00 -1.22 -3.31 119.26 115.05 1wrs h ALA 29 Ca -0.06 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.49 1wrs h ALA 29 Cb 1.46 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 1wrs h ALA 29 CO 0.15 0.59 -0.57 -0.92 0.00 0.00 0.00 179.25 178.51 1wrs h TYR 30 N 0.00 -1.79 0.00 0.00 3.20 -1.54 1.15 116.97 117.99 1wrs h TYR 30 Ca -0.00 0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1wrs h TYR 30 Cb 0.88 0.88 -0.00 0.00 1.54 0.00 0.00 36.73 40.03 1wrs h TYR 30 CO 0.00 -0.40 -0.02 0.37 -1.64 0.00 0.00 178.16 176.47 1wrs h GLN 31 N -0.13 0.00 0.00 1.82 4.15 -1.77 0.73 115.11 119.91 1wrs h GLN 31 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1wrs h GLN 31 Cb 0.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1wrs h GLN 31 CO -0.80 0.02 -0.06 -0.97 -1.93 0.00 0.00 178.83 175.09 1wrs h ASN 32 N 0.00 0.00 -0.52 -0.69 -0.00 0.44 -3.47 115.58 111.34 1wrs h ASN 32 Ca -0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 56.30 56.16 1wrs h ASN 32 Cb 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.32 1wrs h ASN 32 CO 0.00 0.01 -0.13 0.47 -0.00 0.00 0.00 177.43 177.78 1wrs n ASP 33 N -2.42 -3.23 -0.00 1.15 8.00 0.33 -4.87 116.55 115.51 1wrs n ASP 33 Ca 0.05 0.09 0.10 0.00 0.71 0.00 0.00 54.79 55.74 1wrs n ASP 33 Cb 0.45 -1.79 -0.12 0.00 -0.02 0.00 0.00 41.12 39.65 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wrs n LEU 34 N -0.77 0.91 0.19 0.64 7.99 -0.88 -4.37 117.00 120.71 1wrs n LEU 34 Ca -0.07 -0.47 0.09 0.00 -0.01 0.00 0.00 56.01 55.55 1wrs n LEU 34 Cb 0.34 0.00 0.47 0.00 -0.11 0.00 0.00 43.42 44.12 1wrs n LEU 34 CO 0.09 0.23 0.85 1.12 -1.51 0.00 0.00 177.39 178.17 1wrs h HIS 35 N 0.00 0.00 0.05 -1.77 2.07 -1.86 -2.70 115.15 110.94 1wrs h HIS 35 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1wrs h HIS 35 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 1wrs h HIS 35 CO 0.00 0.00 -0.03 -0.07 -3.07 0.00 0.00 177.93 174.76 1wrs h LEU 36 N 0.00 -0.06 -1.83 6.12 3.38 -1.93 -0.57 115.31 120.42 1wrs h LEU 36 Ca 0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1wrs h LEU 36 Cb 0.48 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1wrs h LEU 36 CO 0.00 0.16 0.69 -0.65 0.09 0.00 0.00 178.44 178.73 1wrs h PRO 37 N -0.48 0.12 -0.15 1.13 0.10 -1.85 0.37 132.00 131.23 1wrs h PRO 37 Ca -0.01 -0.01 -0.22 0.00 0.10 0.00 0.00 66.00 65.87 1wrs h PRO 37 Cb 0.05 -0.03 0.01 0.00 0.10 0.00 0.00 31.00 31.14 1wrs h PRO 37 CO 0.01 0.08 -0.74 -0.07 0.10 0.00 0.00 178.00 177.38 1wrs h LEU 38 N 0.12 0.92 -2.75 2.35 3.38 -1.56 -2.94 115.31 114.83 1wrs h LEU 38 Ca 0.49 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1wrs h LEU 38 Cb 1.72 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1wrs h LEU 38 CO -0.08 1.40 -0.00 -0.07 0.09 0.00 0.00 178.44 179.78 1wrs h LEU 39 N 0.50 0.00 -1.72 1.67 4.07 0.14 0.57 115.31 120.54 1wrs h LEU 39 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1wrs h LEU 39 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1wrs h LEU 39 CO 0.15 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 178.10 1wrs n ASN 40 N -3.44 2.52 0.01 -0.43 4.13 -0.87 -3.92 115.26 113.26 1wrs n ASN 40 Ca -0.03 -2.08 -0.01 0.00 1.68 0.00 0.00 54.58 54.14 1wrs n ASN 40 Cb 0.08 -0.34 -0.00 0.00 -1.54 0.00 0.00 39.78 37.98 1wrs n ASN 40 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1wrs n LEU 41 N 0.70 0.76 0.00 3.41 4.77 0.20 -4.69 117.00 122.15 1wrs n LEU 41 Ca 0.15 0.11 0.01 0.00 -0.03 0.00 0.00 56.01 56.25 1wrs n LEU 41 Cb 0.43 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1wrs n LEU 41 CO 0.11 -0.58 0.39 1.15 -1.33 0.00 0.00 177.39 177.13 1wrs n MET 42 N -3.21 0.69 -3.05 3.23 0.00 -1.04 -4.75 117.12 108.99 1wrs n MET 42 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.57 1wrs n MET 42 Cb 0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 33.22 32.21 1wrs n MET 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1wrs n LEU 43 N -0.55 0.00 0.00 3.17 4.77 -1.25 -5.03 117.00 118.10 1wrs n LEU 43 Ca 0.02 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1wrs n LEU 43 Cb 0.01 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1wrs n LEU 43 CO 0.01 -0.20 0.00 0.41 -1.33 0.00 0.00 177.39 176.28 1wrs n THR 44 N -0.42 0.00 -0.12 -5.08 -1.04 -1.26 -4.90 114.28 101.46 1wrs n THR 44 Ca -0.04 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.75 1wrs n THR 44 Cb 0.26 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.66 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 0.64 0.08 -2.82 -0.04 -1.26 -4.28 135.00 127.32 1wrs n PRO 45 Ca 0.00 0.21 0.20 0.00 -0.04 0.00 0.00 63.50 63.87 1wrs n PRO 45 Cb 0.00 -1.54 0.74 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.33 0.00 -0.02 3.54 5.19 -2.00 -0.53 116.42 122.27 1wrs h ASP 46 Ca -0.59 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.82 1wrs h ASP 46 Cb 1.80 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.31 1wrs h ASP 46 CO -0.18 0.00 0.01 -0.33 -3.12 0.00 0.00 179.24 175.62 1wrs h GLU 47 N 0.00 0.02 -0.69 3.56 4.39 -1.99 0.14 114.58 120.02 1wrs h GLU 47 Ca 0.19 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.00 1wrs h GLU 47 Cb 0.92 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 1wrs h GLU 47 CO -0.00 0.09 0.46 0.00 -1.16 0.00 0.00 179.01 178.40 1wrs h ARG 48 N -0.05 0.50 0.00 2.33 -0.00 -1.30 0.27 114.38 116.13 1wrs h ARG 48 Ca 0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1wrs h ARG 48 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 29.93 1wrs h ARG 48 CO -0.00 0.33 0.00 0.39 0.00 0.00 0.00 179.97 180.69 1wrs n GLU 49 N -4.48 0.00 -0.23 0.04 1.02 -0.81 -3.07 120.64 113.11 1wrs n GLU 49 Ca 0.12 0.43 0.03 0.00 -0.02 0.00 0.00 57.16 57.72 1wrs n GLU 49 Cb 0.38 -1.04 0.15 0.00 -0.02 0.00 0.00 31.44 30.91 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 0.82 -0.68 0.62 0.00 -1.01 -0.81 119.26 116.21 1wrs h ALA 50 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1wrs h ALA 50 Cb 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1wrs h ALA 50 CO 0.00 -0.34 0.26 1.25 0.00 0.00 0.00 179.25 180.42 1wrs h LEU 51 N 0.24 0.24 -0.81 0.00 6.46 -1.10 0.12 115.31 120.46 1wrs h LEU 51 Ca 0.37 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.24 1wrs h LEU 51 Cb 0.61 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1wrs h LEU 51 CO -0.49 0.12 0.53 1.23 -0.62 0.00 0.00 178.44 179.21 1wrs h GLY 52 N 0.43 1.14 0.00 3.75 0.00 -1.08 -2.82 103.07 104.48 1wrs h GLY 52 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1wrs h GLY 52 CO -0.36 0.40 0.00 2.41 0.00 0.00 0.00 176.54 178.99 1wrs n THR 53 N -4.54 0.00 -0.42 4.70 -1.04 0.00 0.85 114.28 113.83 1wrs n THR 53 Ca 0.08 1.05 0.36 0.00 -2.04 0.00 0.00 64.05 63.51 1wrs n THR 53 Cb 0.03 -1.79 0.64 0.00 -1.82 0.00 0.00 70.33 67.38 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 0.05 -0.10 -2.82 0.11 -1.56 2.09 114.38 112.16 1wrs h ARG 54 Ca 0.00 -0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 1wrs h ARG 54 Cb 0.00 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 1wrs h ARG 54 CO 0.00 0.03 -0.63 0.28 0.10 0.00 0.00 179.97 179.75 1wrs h VAL 55 N 0.05 1.37 -0.13 0.08 2.07 -1.13 -1.20 116.25 117.36 1wrs h VAL 55 Ca 0.85 -2.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.16 1wrs h VAL 55 Cb 2.56 1.99 0.01 0.00 -1.52 0.00 0.00 31.29 34.32 1wrs h VAL 55 CO -0.52 0.60 -0.76 0.08 0.02 0.00 0.00 177.57 176.99 1wrs h ARG 56 N 0.26 0.67 0.08 1.57 0.11 0.98 -2.15 114.38 115.90 1wrs h ARG 56 Ca -0.01 -0.55 -0.29 0.00 0.10 0.00 0.00 59.98 59.23 1wrs h ARG 56 Cb 1.17 0.11 0.03 0.00 1.11 0.00 0.00 29.97 32.39 1wrs h ARG 56 CO 0.11 1.16 -1.18 0.97 0.10 0.00 0.00 179.97 181.13 1wrs h ILE 57 N 0.46 1.28 0.11 0.08 -0.00 -1.00 -2.53 117.51 115.90 1wrs h ILE 57 Ca -0.05 -2.39 -0.01 0.00 -0.00 0.00 0.00 64.86 62.42 1wrs h ILE 57 Cb 1.37 2.59 0.00 0.00 -0.00 0.00 0.00 36.82 40.78 1wrs h ILE 57 CO 0.15 0.73 -0.05 0.58 -0.00 0.00 0.00 178.15 179.56 1wrs h VAL 58 N 0.32 0.00 -1.26 2.19 2.07 -1.27 -2.08 116.25 116.22 1wrs h VAL 58 Ca -0.17 -0.02 0.40 0.00 0.82 0.00 0.00 66.70 67.74 1wrs h VAL 58 Cb 1.85 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.49 1wrs h VAL 58 CO 0.23 0.00 0.80 -0.08 0.02 0.00 0.00 177.57 178.54 1wrs h GLU 59 N -0.16 0.13 0.32 1.57 4.81 -1.53 0.35 114.58 120.07 1wrs h GLU 59 Ca -0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1wrs h GLU 59 Cb 0.11 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1wrs h GLU 59 CO 0.02 0.09 -0.15 0.93 -0.73 0.00 0.00 179.01 179.17 1wrs h GLU 60 N 0.14 -0.41 0.00 1.92 5.08 -1.29 -1.70 114.58 118.31 1wrs h GLU 60 Ca 0.78 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.17 1wrs h GLU 60 Cb 2.37 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.71 1wrs h GLU 60 CO -0.42 -0.11 0.00 1.28 -1.00 0.00 0.00 179.01 178.76 1wrs n LEU 61 N -5.16 0.00 -0.92 1.33 4.77 -0.22 -2.91 117.00 113.88 1wrs n LEU 61 Ca -0.10 0.32 0.09 0.00 -0.03 0.00 0.00 56.01 56.29 1wrs n LEU 61 Cb 0.26 -0.32 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 1wrs n LEU 61 CO 0.32 -0.02 0.64 -0.11 -1.33 0.00 0.00 177.39 176.89 1wrs n LEU 62 N -1.32 3.12 0.00 2.23 7.94 0.11 -4.67 117.00 124.42 1wrs n LEU 62 Ca 0.13 -1.60 0.00 0.00 -1.11 0.00 0.00 56.01 53.43 1wrs n LEU 62 Cb 0.24 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1wrs n LEU 62 CO 0.22 0.70 0.00 -1.14 -1.11 0.00 0.00 177.39 176.07 1wrs n ARG 63 N 1.11 0.00 0.01 1.96 0.63 -0.65 -4.97 116.66 114.75 1wrs n ARG 63 Ca 0.16 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1wrs n ARG 63 Cb 0.51 -0.85 0.00 0.00 0.45 0.00 0.00 32.46 32.56 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 2.11 0.00 1.18 5.14 0.00 -1.26 -5.11 105.19 107.26 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 1.18 0.00 0.00 0.00 173.32 174.50 1wrs n GLU 65 N -2.58 0.00 -0.05 1.61 1.02 -1.26 -5.10 120.64 114.28 1wrs n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1wrs n GLU 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1wrs n GLU 65 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1wrs n MET 66 N -1.89 0.00 -3.11 3.49 2.81 -1.26 -4.79 117.12 112.37 1wrs n MET 66 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 1wrs n MET 66 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1wrs n MET 66 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1wrs n SER 67 N 0.42 0.28 0.00 7.83 3.41 -1.26 -4.55 113.62 119.75 1wrs n SER 67 Ca 0.00 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1wrs n SER 67 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1wrs n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wrs n GLN 68 N 0.34 2.29 0.00 4.33 6.02 -1.26 -4.71 117.38 124.38 1wrs n GLN 68 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1wrs n GLN 68 Cb 0.66 -0.83 0.00 0.00 1.02 0.00 0.00 30.24 31.09 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 -1.21 0.77 -0.27 -1.09 3.00 -1.26 -3.86 116.66 112.73 1wrs n ARG 69 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1wrs n ARG 69 Cb 0.14 -1.14 0.12 0.00 0.00 0.00 0.00 32.46 31.59 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 0.57 2.17 -1.75 -0.14 1.02 -1.26 -4.92 120.64 116.33 1wrs n GLU 70 Ca 0.00 -0.97 -0.41 0.00 -0.02 0.00 0.00 57.16 55.76 1wrs n GLU 70 Cb 0.37 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1wrs n GLU 70 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wrs n LEU 71 N 0.19 4.43 -4.21 -4.62 4.77 -1.25 -4.94 117.00 111.36 1wrs n LEU 71 Ca 0.09 1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 56.85 1wrs n LEU 71 Cb 0.52 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1wrs n LEU 71 CO 0.10 -0.14 0.30 -0.75 -1.33 0.00 0.00 177.39 175.57 1wrs s LYS 72 N -2.10 3.22 0.00 3.23 2.20 -1.26 -4.92 119.74 120.11 1wrs s LYS 72 Ca 0.56 -2.65 0.00 0.00 -0.36 0.00 0.00 55.97 53.52 1wrs s LYS 72 Cb -0.50 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 31.70 1wrs s LYS 72 CO 0.62 -1.24 0.00 0.09 -0.36 0.00 0.00 175.35 174.46 1wrs n ASN 73 N 3.49 0.00 0.05 1.43 3.02 -1.26 -5.06 115.26 116.93 1wrs n ASN 73 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1wrs n ASN 73 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1wrs n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wrs n GLU 74 N 0.00 0.00 -0.17 3.52 1.02 -1.26 -4.90 120.64 118.85 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 -0.03 0.19 0.00 -0.02 0.00 0.00 31.44 31.57 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 -2.90 3.20 -0.09 -4.62 4.77 -1.26 -4.56 117.00 111.54 1wrs n LEU 75 Ca 0.00 -1.55 -0.06 0.00 -0.03 0.00 0.00 56.01 54.37 1wrs n LEU 75 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1wrs n LEU 75 CO 0.00 0.71 0.72 1.23 -1.33 0.00 0.00 177.39 178.72 1wrs h GLY 76 N 3.73 0.03 0.00 -0.72 0.00 -1.94 -3.46 103.07 100.71 1wrs h GLY 76 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1wrs h GLY 76 CO 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.35 1wrs n ALA 77 N -2.82 0.00 -3.65 3.60 0.00 -1.26 -5.09 120.51 111.30 1wrs n ALA 77 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1wrs n ALA 77 Cb 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 0.36 0.29 0.00 0.00 -1.26 -4.99 107.32 101.72 1wrs s GLY 78 Ca 0.00 3.52 0.02 0.00 0.00 0.00 0.00 44.72 48.26 1wrs s GLY 78 CO 0.00 2.55 1.64 1.19 0.00 0.00 0.00 173.10 178.48 1wrs h ILE 79 N 4.65 0.30 0.54 0.90 6.09 -1.98 -1.50 117.51 126.52 1wrs h ILE 79 Ca -0.27 -0.07 -0.03 0.00 -1.37 0.00 0.00 64.86 63.12 1wrs h ILE 79 Cb 1.17 0.09 0.01 0.00 0.47 0.00 0.00 36.82 38.56 1wrs h ILE 79 CO 0.21 0.04 -0.26 0.00 -3.07 0.00 0.00 178.15 175.06 1wrs h ALA 80 N 1.79 -0.95 -0.69 0.18 0.00 -2.00 -2.56 119.26 115.03 1wrs h ALA 80 Ca 0.55 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.45 1wrs h ALA 80 Cb 1.12 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 1wrs h ALA 80 CO -0.66 -0.90 -0.13 2.41 0.00 0.00 0.00 179.25 179.97 1wrs n THR 81 N -4.44 -0.29 0.06 0.00 -1.04 -0.64 0.76 114.28 108.68 1wrs n THR 81 Ca -0.09 1.57 -0.10 0.00 -2.04 0.00 0.00 64.05 63.39 1wrs n THR 81 Cb 0.29 -2.20 0.02 0.00 -1.82 0.00 0.00 70.33 66.62 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 1.39 0.15 12.58 3.07 -1.39 -3.09 117.51 130.22 1wrs h ILE 82 Ca 0.35 -2.18 -0.00 0.00 1.55 0.00 0.00 64.86 64.57 1wrs h ILE 82 Cb 0.59 2.15 -0.00 0.00 -0.27 0.00 0.00 36.82 39.28 1wrs h ILE 82 CO -0.70 0.65 -0.13 0.74 -1.05 0.00 0.00 178.15 177.66 1wrs h THR 83 N 0.26 0.00 0.00 0.16 2.02 0.78 -0.59 112.91 115.53 1wrs h THR 83 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1wrs h THR 83 Cb 1.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1wrs h THR 83 CO 0.13 0.00 0.01 -2.11 0.37 0.00 0.00 175.52 173.92 1wrs n ARG 84 N -3.09 0.00 -0.03 6.66 1.85 -1.07 -1.91 116.66 119.06 1wrs n ARG 84 Ca -0.03 0.32 -0.13 0.00 -1.00 0.00 0.00 57.85 57.00 1wrs n ARG 84 Cb 0.12 -1.51 -0.09 0.00 -1.05 0.00 0.00 32.46 29.93 1wrs n ARG 84 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1wrs h GLY 85 N 0.00 0.16 0.67 2.89 0.00 -1.01 -1.20 103.07 104.58 1wrs h GLY 85 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1wrs h GLY 85 CO 0.00 0.16 -0.36 -1.14 0.00 0.00 0.00 176.54 175.19 1wrs n SER 86 N -4.71 0.72 -0.79 0.19 3.41 -0.80 -3.71 113.62 107.93 1wrs n SER 86 Ca -0.08 -0.54 0.07 0.00 -0.26 0.00 0.00 58.87 58.06 1wrs n SER 86 Cb 0.32 0.17 0.20 0.00 -0.26 0.00 0.00 64.21 64.64 1wrs n SER 86 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wrs n ASN 87 N -1.10 3.32 -0.05 4.04 3.02 -1.00 -4.67 115.26 118.82 1wrs n ASN 87 Ca 0.09 -2.30 0.21 0.00 -0.03 0.00 0.00 54.58 52.55 1wrs n ASN 87 Cb 0.34 -0.34 0.37 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.16 0.00 -0.95 6.41 0.02 -1.29 0.17 113.55 120.06 1wrs h SER 88 Ca 0.00 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 61.19 1wrs h SER 88 Cb 0.97 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 1wrs h SER 88 CO 0.07 0.00 0.64 -0.07 -1.14 0.00 0.00 176.83 176.33 1wrs h LEU 89 N 0.00 0.30 0.00 5.07 3.38 -1.87 -0.03 115.31 122.16 1wrs h LEU 89 Ca 0.34 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1wrs h LEU 89 Cb 2.52 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 43.26 1wrs h LEU 89 CO -0.00 0.10 -1.67 0.29 0.09 0.00 0.00 178.44 177.24 1wrs n LYS 90 N -4.46 0.60 0.20 1.13 5.02 0.59 -4.51 118.16 116.72 1wrs n LYS 90 Ca 0.21 -0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1wrs n LYS 90 Cb 0.83 -1.59 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 1wrs n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wrs h ALA 91 N 2.07 -1.03 -1.82 7.82 0.00 -1.02 -3.44 119.26 121.85 1wrs h ALA 91 Ca 0.00 -0.13 -0.44 0.00 0.00 0.00 0.00 54.91 54.34 1wrs h ALA 91 Cb 0.96 0.63 0.01 0.00 0.00 0.00 0.00 17.79 19.39 1wrs h ALA 91 CO 0.00 -1.06 -0.34 0.00 0.00 0.00 0.00 179.25 177.85 1wrs s ALA 92 N -5.13 4.23 1.24 0.00 0.00 -1.20 -5.10 121.76 115.81 1wrs s ALA 92 Ca -0.13 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1wrs s ALA 92 Cb 0.03 -1.68 0.30 0.00 0.00 0.00 0.00 23.12 21.76 1wrs s ALA 92 CO 0.44 -0.02 0.85 -2.30 0.00 0.00 0.00 175.76 174.73 1wrs n PRO 93 N -1.63 -2.97 0.00 0.00 -0.01 -1.26 -4.89 135.00 124.24 1wrs n PRO 93 Ca -0.01 -0.85 0.14 0.00 -0.01 0.00 0.00 63.50 62.77 1wrs n PRO 93 Cb 0.58 -2.04 0.58 0.00 -0.01 0.00 0.00 33.50 32.60 1wrs n PRO 93 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 1wrs n VAL 94 N -5.13 0.00 0.19 -1.45 0.31 -1.26 -3.52 118.33 107.46 1wrs n VAL 94 Ca 0.04 -0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.40 1wrs n VAL 94 Cb 0.56 -0.34 0.42 0.00 -0.91 0.00 0.00 33.84 33.57 1wrs n VAL 94 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wrs h GLU 95 N 0.05 0.04 -0.57 5.55 5.08 -2.01 -2.83 114.58 119.90 1wrs h GLU 95 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wrs h GLU 95 Cb 0.46 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1wrs h GLU 95 CO 0.00 0.30 0.35 -0.07 -1.00 0.00 0.00 179.01 178.59 1wrs h LEU 96 N 0.04 0.68 -0.82 1.33 4.07 -1.93 -2.51 115.31 116.17 1wrs h LEU 96 Ca 0.00 -0.05 0.20 0.00 0.08 0.00 0.00 57.88 58.11 1wrs h LEU 96 Cb 0.48 -0.17 -0.12 0.00 1.08 0.00 0.00 40.66 41.92 1wrs h LEU 96 CO 0.03 0.53 0.22 -0.09 -1.08 0.00 0.00 178.44 178.06 1wrs h ARG 97 N 0.77 0.26 0.00 1.13 9.65 -1.73 1.02 114.38 125.47 1wrs h ARG 97 Ca 0.21 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.01 1wrs h ARG 97 Cb -0.03 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1wrs h ARG 97 CO -0.04 0.17 -0.27 1.96 2.80 0.00 0.00 179.97 184.58 1wrs h GLN 98 N 0.26 0.00 0.00 0.20 4.20 -1.57 -3.10 115.11 115.11 1wrs h GLN 98 Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1wrs h GLN 98 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1wrs h GLN 98 CO -0.57 0.27 -0.23 1.87 -0.67 0.00 0.00 178.83 179.50 1wrs n TRP 99 N -3.38 0.29 -0.39 2.96 -0.00 0.18 -4.28 117.44 112.82 1wrs n TRP 99 Ca 0.00 0.13 0.38 0.00 -0.00 0.00 0.00 57.50 58.01 1wrs n TRP 99 Cb 0.49 -0.40 0.68 0.00 -0.00 0.00 0.00 31.31 32.08 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 -0.38 0.00 -1.12 5.87 -0.00 0.59 1.02 115.31 121.29 1wrs h LEU 100 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 57.88 58.17 1wrs h LEU 100 Cb 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.76 1wrs h LEU 100 CO 0.00 0.00 0.63 -0.33 -0.00 0.00 0.00 178.44 178.74 1wrs h GLU 101 N 0.00 0.41 0.01 1.13 5.08 -1.68 1.12 114.58 120.65 1wrs h GLU 101 Ca 0.65 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.68 1wrs h GLU 101 Cb 2.92 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 32.03 1wrs h GLU 101 CO -0.01 0.27 -1.77 0.39 -1.00 0.00 0.00 179.01 176.90 1wrs n GLU 102 N -4.86 0.65 0.04 2.33 1.02 0.35 -2.71 120.64 117.46 1wrs n GLU 102 Ca 0.29 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 1wrs n GLU 102 Cb 0.90 -1.77 0.32 0.00 -0.02 0.00 0.00 31.44 30.87 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 -3.07 0.21 -0.11 2.62 0.31 0.01 0.22 118.33 118.53 1wrs n VAL 103 Ca -0.19 -0.14 -0.17 0.00 -0.01 0.00 0.00 64.34 63.84 1wrs n VAL 103 Cb 1.06 -0.16 -0.06 0.00 -0.91 0.00 0.00 33.84 33.77 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 -1.82 1.91 0.00 7.52 7.94 0.37 -4.43 117.00 128.49 1wrs n LEU 104 Ca 0.05 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 1wrs n LEU 104 Cb 0.39 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1wrs n LEU 104 CO 0.33 0.05 0.15 0.18 -1.11 0.00 0.00 177.39 176.99 1wrs n LEU 105 N -4.41 0.85 0.00 -1.96 7.99 -1.10 -4.71 117.00 113.66 1wrs n LEU 105 Ca -0.29 0.46 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1wrs n LEU 105 Cb 0.62 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1wrs n LEU 105 CO 0.13 -0.27 0.12 1.17 -1.51 0.00 0.00 177.39 177.03 1wrs n LYS 106 N -1.32 0.00 -0.59 3.23 4.81 -1.21 -5.07 118.16 118.01 1wrs n LYS 106 Ca 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1wrs n LYS 106 Cb 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1wrs n LYS 106 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02