#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 0.02 -3.82 1.08 0.02 -2.14 -3.42 113.55 105.29 1wrs h SER 5 Ca 0.00 -0.03 -0.51 0.00 -0.84 0.00 0.00 61.79 60.41 1wrs h SER 5 Cb 0.00 -0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.58 1wrs h SER 5 CO 0.00 0.04 0.57 -2.16 -1.14 0.00 0.00 176.83 174.14 1wrs s PRO 6 N -6.08 4.48 -0.30 3.45 0.04 -1.26 -4.98 135.00 130.35 1wrs s PRO 6 Ca -0.13 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 1wrs s PRO 6 Cb 0.06 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.47 1wrs s PRO 6 CO 0.66 -0.02 0.76 0.71 0.04 0.00 0.00 177.00 179.15 1wrs s TYR 7 N -1.07 3.21 0.41 0.56 1.51 -1.26 -5.03 117.35 115.67 1wrs s TYR 7 Ca 0.47 0.78 -0.24 0.00 -1.01 0.00 0.00 57.07 57.08 1wrs s TYR 7 Cb -0.36 -3.17 -0.09 0.00 -0.11 0.00 0.00 41.96 38.23 1wrs s TYR 7 CO 0.47 -0.54 1.05 -1.54 -1.11 0.00 0.00 175.55 173.88 1wrs s SER 8 N 1.61 6.72 -0.32 2.29 1.04 -1.26 -5.02 113.70 118.77 1wrs s SER 8 Ca 0.31 2.04 -0.07 0.00 0.48 0.00 0.00 55.95 58.71 1wrs s SER 8 Cb -0.14 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.58 1wrs s SER 8 CO 0.12 -0.52 0.96 0.00 0.98 0.00 0.00 173.24 174.79 1wrs s ALA 9 N -1.68 -3.87 1.17 5.32 0.00 -1.26 -5.17 121.76 116.27 1wrs s ALA 9 Ca 0.58 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.59 1wrs s ALA 9 Cb -0.22 -2.87 0.20 0.00 0.00 0.00 0.00 23.12 20.24 1wrs s ALA 9 CO 0.27 -2.23 0.73 0.00 0.00 0.00 0.00 175.76 174.53 1wrs n ALA 10 N 4.55 -2.30 -1.95 0.00 0.00 -1.26 -5.04 120.51 114.50 1wrs n ALA 10 Ca 0.08 -1.09 -0.28 0.00 0.00 0.00 0.00 53.44 52.15 1wrs n ALA 10 Cb 0.59 -0.08 0.18 0.00 0.00 0.00 0.00 19.45 20.14 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 -4.65 0.78 -0.19 0.00 1.00 -1.26 -5.02 119.30 109.96 1wrs s MET 11 Ca 0.47 -0.66 -0.25 0.00 0.00 0.00 0.00 55.69 55.25 1wrs s MET 11 Cb -0.05 -1.97 -0.01 0.00 0.00 0.00 0.00 34.83 32.81 1wrs s MET 11 CO 0.36 -2.25 0.84 0.00 0.00 0.00 0.00 175.02 173.97 1wrs s ALA 12 N -3.73 3.56 0.24 3.03 0.00 -1.26 -4.93 121.76 118.67 1wrs s ALA 12 Ca 0.73 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1wrs s ALA 12 Cb -0.03 -3.25 0.27 0.00 0.00 0.00 0.00 23.12 20.11 1wrs s ALA 12 CO 0.51 -0.73 1.70 0.93 0.00 0.00 0.00 175.76 178.17 1wrs h GLU 13 N 7.42 0.77 -5.75 0.00 5.08 -2.06 -3.48 114.58 116.56 1wrs h GLU 13 Ca -0.27 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 57.73 1wrs h GLU 13 Cb 1.12 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1wrs h GLU 13 CO 0.85 0.85 -0.87 1.04 -1.00 0.00 0.00 179.01 179.88 1wrs n GLN 14 N -4.16 -2.20 -2.99 2.33 6.02 -1.26 -4.89 117.38 110.22 1wrs n GLN 14 Ca 0.01 1.89 -0.42 0.00 -0.01 0.00 0.00 57.00 58.48 1wrs n GLN 14 Cb 0.37 -3.97 -0.05 0.00 1.02 0.00 0.00 30.24 27.60 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 -2.11 3.96 0.00 -1.09 1.81 -1.26 -4.78 118.95 115.48 1wrs s ARG 15 Ca 0.19 0.53 0.00 0.00 -1.72 0.00 0.00 55.73 54.73 1wrs s ARG 15 Cb -0.04 -3.72 0.00 0.00 -0.45 0.00 0.00 34.95 30.74 1wrs s ARG 15 CO 0.69 -0.63 0.00 1.58 -0.68 0.00 0.00 175.30 176.25 1wrs n HIS 16 N 6.09 0.00 0.00 -0.53 -0.00 -1.26 -4.87 115.22 114.66 1wrs n HIS 16 Ca 0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1wrs n HIS 16 Cb 0.48 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 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 -0.49 1.57 6.02 -1.26 -2.69 117.38 120.54 1wrs n GLN 17 Ca 0.00 0.00 0.41 0.00 -0.01 0.00 0.00 57.00 57.40 1wrs n GLN 17 Cb 0.20 -0.39 0.75 0.00 1.02 0.00 0.00 30.24 31.81 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 0.04 0.59 -1.09 5.08 -2.00 0.23 114.58 117.44 1wrs h GLU 18 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1wrs h GLU 18 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1wrs h GLU 18 CO 0.00 0.03 -0.43 2.35 -1.00 0.00 0.00 179.01 179.96 1wrs h TRP 19 N 0.04 -1.17 -0.58 4.33 2.91 -1.90 -1.57 115.95 118.02 1wrs h TRP 19 Ca 0.75 -0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.94 1wrs h TRP 19 Cb 2.83 0.43 -0.02 0.00 -0.51 0.00 0.00 29.16 31.88 1wrs h TRP 19 CO -0.00 -0.61 0.72 1.25 -1.03 0.00 0.00 178.44 178.77 1wrs h LEU 20 N -0.98 0.00 0.00 0.65 6.46 -0.32 -2.21 115.31 118.91 1wrs h LEU 20 Ca -0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1wrs h LEU 20 Cb 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1wrs h LEU 20 CO 0.04 0.00 0.00 0.54 -0.62 0.00 0.00 178.44 178.40 1wrs n ARG 21 N -3.44 0.00 -0.37 1.25 5.12 -0.61 -1.91 116.66 116.71 1wrs n ARG 21 Ca 0.12 0.47 0.29 0.00 -1.93 0.00 0.00 57.85 56.80 1wrs n ARG 21 Cb 0.93 -1.23 0.47 0.00 -1.16 0.00 0.00 32.46 31.47 1wrs n ARG 21 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1wrs n PHE 22 N -1.91 0.23 0.04 -1.55 7.35 -0.84 0.13 117.46 120.90 1wrs n PHE 22 Ca 0.00 0.23 -0.09 0.00 -0.76 0.00 0.00 57.45 56.84 1wrs n PHE 22 Cb 0.00 -0.58 -0.06 0.00 0.35 0.00 0.00 39.48 39.19 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 0.66 -0.93 -2.13 2.07 -1.48 -2.86 116.25 111.58 1wrs h VAL 23 Ca 0.57 -1.18 0.16 0.00 0.82 0.00 0.00 66.70 67.06 1wrs h VAL 23 Cb 2.05 1.17 -0.16 0.00 -1.52 0.00 0.00 31.29 32.83 1wrs h VAL 23 CO -0.16 0.19 -0.32 -0.67 0.02 0.00 0.00 177.57 176.63 1wrs n ASP 24 N -4.88 -0.52 0.25 0.57 2.03 0.34 0.13 116.55 114.46 1wrs n ASP 24 Ca -0.06 1.62 -0.15 0.00 0.52 0.00 0.00 54.79 56.72 1wrs n ASP 24 Cb 0.23 -0.41 -0.08 0.00 -0.72 0.00 0.00 41.12 40.14 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 -0.53 0.00 -2.67 3.38 -1.61 -2.51 115.31 111.37 1wrs h LEU 25 Ca 0.36 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1wrs h LEU 25 Cb 0.60 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1wrs h LEU 25 CO -0.94 -0.22 0.00 -0.11 0.09 0.00 0.00 178.44 177.26 1wrs n LEU 26 N -5.28 0.00 0.07 1.67 0.00 0.00 -1.69 117.00 111.78 1wrs n LEU 26 Ca -0.11 0.35 -0.17 0.00 0.00 0.00 0.00 56.01 56.08 1wrs n LEU 26 Cb 0.30 -0.35 -0.14 0.00 0.00 0.00 0.00 43.42 43.22 1wrs n LEU 26 CO 0.33 -0.29 -0.31 0.50 0.00 0.00 0.00 177.39 177.61 1wrs h LYS 27 N 0.00 0.28 -0.01 1.96 3.64 0.15 -3.39 116.57 119.20 1wrs h LYS 27 Ca 0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1wrs h LYS 27 Cb 0.06 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1wrs h LYS 27 CO 0.00 1.16 -0.00 -1.71 -2.27 0.00 0.00 179.45 176.62 1wrs n ASN 28 N -3.48 1.67 -0.06 4.20 4.05 -0.99 -4.70 115.26 115.94 1wrs n ASN 28 Ca -0.16 -1.34 -0.10 0.00 0.45 0.00 0.00 54.58 53.44 1wrs n ASN 28 Cb 1.05 0.01 -0.09 0.00 1.23 0.00 0.00 39.78 41.98 1wrs n ASN 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wrs h ALA 29 N 1.62 0.00 -0.54 5.20 0.00 -1.51 -3.36 119.26 120.68 1wrs h ALA 29 Ca 0.00 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 54.70 1wrs h ALA 29 Cb 0.34 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1wrs h ALA 29 CO 0.00 0.01 0.01 0.98 0.00 0.00 0.00 179.25 180.25 1wrs n TYR 30 N -4.66 0.34 0.13 0.00 4.19 -1.26 0.11 117.16 116.00 1wrs n TYR 30 Ca -0.07 0.65 -0.13 0.00 3.31 0.00 0.00 57.90 61.66 1wrs n TYR 30 Cb 0.33 -0.90 -0.07 0.00 0.49 0.00 0.00 39.34 39.19 1wrs n TYR 30 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 1wrs h GLN 31 N 0.00 -0.30 0.00 2.98 1.08 -1.90 -2.15 115.11 114.82 1wrs h GLN 31 Ca 0.33 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1wrs h GLN 31 Cb 0.67 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1wrs h GLN 31 CO -0.51 -0.20 0.00 0.09 -0.95 0.00 0.00 178.83 177.26 1wrs n ASN 32 N -5.25 0.35 -0.47 1.46 5.03 0.29 -4.90 115.26 111.78 1wrs n ASN 32 Ca -0.08 0.54 -0.01 0.00 0.87 0.00 0.00 54.58 55.90 1wrs n ASN 32 Cb 0.17 -0.63 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 1wrs n ASN 32 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1wrs n ASP 33 N -1.84 -1.88 -0.00 6.41 -0.08 0.13 -4.93 116.55 114.36 1wrs n ASP 33 Ca 0.06 -0.02 0.11 0.00 -1.51 0.00 0.00 54.79 53.42 1wrs n ASP 33 Cb 0.34 -0.75 -0.13 0.00 2.34 0.00 0.00 41.12 42.93 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wrs n LEU 34 N -0.53 0.51 -0.15 -2.67 7.99 -1.11 -4.38 117.00 116.66 1wrs n LEU 34 Ca -0.00 -0.23 0.23 0.00 -0.01 0.00 0.00 56.01 56.00 1wrs n LEU 34 Cb 0.51 -0.01 0.64 0.00 -0.11 0.00 0.00 43.42 44.45 1wrs n LEU 34 CO 0.03 0.12 1.23 1.12 -1.51 0.00 0.00 177.39 178.37 1wrs h HIS 35 N 0.00 0.18 0.43 -1.77 2.07 -1.90 -2.16 115.15 112.01 1wrs h HIS 35 Ca 0.00 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1wrs h HIS 35 Cb 0.75 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.68 1wrs h HIS 35 CO 0.00 0.05 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.63 1wrs h LEU 36 N 0.14 -0.49 -2.07 6.12 3.38 -1.96 0.22 115.31 120.65 1wrs h LEU 36 Ca 0.39 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.47 1wrs h LEU 36 Cb 1.33 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1wrs h LEU 36 CO -0.06 -0.14 0.35 1.55 0.09 0.00 0.00 178.44 180.23 1wrs h PRO 37 N -1.01 0.00 0.11 1.13 0.13 -1.81 -0.08 132.00 130.47 1wrs h PRO 37 Ca -0.06 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.76 1wrs h PRO 37 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1wrs h PRO 37 CO 0.10 0.00 -1.59 -0.07 -0.23 0.00 0.00 178.00 176.21 1wrs h LEU 38 N 0.00 0.37 -1.39 1.56 3.38 -1.34 -3.32 115.31 114.57 1wrs h LEU 38 Ca 0.15 -0.55 0.15 0.00 0.09 0.00 0.00 57.88 57.72 1wrs h LEU 38 Cb 0.85 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1wrs h LEU 38 CO -0.00 1.46 0.56 -0.07 0.09 0.00 0.00 178.44 180.48 1wrs h LEU 39 N 0.06 0.56 0.00 1.67 4.07 0.14 0.70 115.31 122.51 1wrs h LEU 39 Ca -0.26 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1wrs h LEU 39 Cb 2.02 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.68 1wrs h LEU 39 CO 0.15 0.28 0.00 0.59 -1.08 0.00 0.00 178.44 178.38 1wrs n ASN 40 N -4.53 0.00 -0.00 -0.43 5.03 -1.08 -3.24 115.26 111.00 1wrs n ASN 40 Ca 0.17 -0.97 -0.01 0.00 0.87 0.00 0.00 54.58 54.64 1wrs n ASN 40 Cb 0.51 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1wrs n ASN 40 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1wrs n LEU 41 N -0.77 0.40 -1.67 3.41 4.77 0.24 -4.68 117.00 118.70 1wrs n LEU 41 Ca 0.09 0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 56.06 1wrs n LEU 41 Cb 0.04 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1wrs n LEU 41 CO 0.07 -0.51 1.10 1.15 -1.33 0.00 0.00 177.39 177.87 1wrs n MET 42 N -2.89 1.34 -3.80 3.23 0.00 -1.04 -4.79 117.12 109.18 1wrs n MET 42 Ca -0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 57.70 56.94 1wrs n MET 42 Cb 0.06 -1.27 -0.04 0.00 0.00 0.00 0.00 33.22 31.98 1wrs n MET 42 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1wrs s LEU 43 N -0.73 0.14 0.00 3.17 2.96 -1.20 -4.99 118.68 118.03 1wrs s LEU 43 Ca 0.14 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 1wrs s LEU 43 Cb 0.10 2.07 0.00 0.00 0.50 0.00 0.00 46.19 48.87 1wrs s LEU 43 CO -0.00 -1.08 0.00 0.41 -1.32 0.00 0.00 176.35 174.36 1wrs n THR 44 N -0.35 0.00 -0.12 3.68 -1.04 -1.26 -4.84 114.28 110.35 1wrs n THR 44 Ca -0.08 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.77 1wrs n THR 44 Cb 0.62 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.67 0.25 -2.82 -0.04 -1.26 -4.23 135.00 127.58 1wrs n PRO 45 Ca 0.00 0.11 0.15 0.00 -0.04 0.00 0.00 63.50 63.72 1wrs n PRO 45 Cb 0.00 -1.49 0.84 0.00 -0.04 0.00 0.00 33.50 32.81 1wrs n PRO 45 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wrs h ASP 46 N 0.00 0.00 0.08 3.54 1.82 -2.00 -1.03 116.42 118.84 1wrs h ASP 46 Ca -0.54 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.09 1wrs h ASP 46 Cb 1.93 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.94 1wrs h ASP 46 CO -0.06 0.00 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.20 1wrs h GLU 47 N 0.00 -0.10 -0.98 0.28 4.39 -1.98 0.50 114.58 116.68 1wrs h GLU 47 Ca 0.04 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.93 1wrs h GLU 47 Cb 0.19 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.77 1wrs h GLU 47 CO -0.00 0.13 0.61 0.00 -1.16 0.00 0.00 179.01 178.60 1wrs h ARG 48 N -0.33 0.68 0.06 2.33 2.47 -1.37 0.68 114.38 118.90 1wrs h ARG 48 Ca -0.01 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1wrs h ARG 48 Cb 0.28 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1wrs h ARG 48 CO 0.02 0.45 -0.03 1.49 0.56 0.00 0.00 179.97 182.46 1wrs h GLU 49 N 0.70 -0.08 -0.90 0.04 4.81 -1.28 -3.20 114.58 114.69 1wrs h GLU 49 Ca 0.55 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.86 1wrs h GLU 49 Cb 0.93 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 1wrs h GLU 49 CO -0.32 -0.05 0.55 0.00 -0.73 0.00 0.00 179.01 178.46 1wrs h ALA 50 N -1.81 1.26 0.11 2.92 0.00 -0.81 -2.74 119.26 118.20 1wrs h ALA 50 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wrs h ALA 50 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wrs h ALA 50 CO 0.01 0.26 -0.17 1.25 0.00 0.00 0.00 179.25 180.61 1wrs h LEU 51 N 0.97 -0.47 -0.92 0.00 6.46 0.23 -2.10 115.31 119.48 1wrs h LEU 51 Ca 0.41 0.04 0.26 0.00 -0.12 0.00 0.00 57.88 58.47 1wrs h LEU 51 Cb 0.26 0.16 -0.16 0.00 -0.73 0.00 0.00 40.66 40.20 1wrs h LEU 51 CO -0.20 -0.20 0.21 1.23 -0.62 0.00 0.00 178.44 178.86 1wrs h GLY 52 N -0.29 1.41 0.00 3.75 0.00 -1.53 -2.35 103.07 104.06 1wrs h GLY 52 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1wrs h GLY 52 CO -0.05 -0.45 0.00 2.41 0.00 0.00 0.00 176.54 178.45 1wrs n THR 53 N -5.30 0.00 -0.48 4.70 -1.04 -0.84 0.20 114.28 111.52 1wrs n THR 53 Ca 0.23 0.98 0.39 0.00 -2.04 0.00 0.00 64.05 63.61 1wrs n THR 53 Cb 0.76 -1.70 0.64 0.00 -1.82 0.00 0.00 70.33 68.20 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 -0.74 -0.02 0.08 -2.82 1.74 -0.88 0.28 116.66 114.30 1wrs n ARG 54 Ca 0.00 1.07 -0.10 0.00 -0.77 0.00 0.00 57.85 58.05 1wrs n ARG 54 Cb 0.00 -2.19 -0.05 0.00 -1.02 0.00 0.00 32.46 29.19 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 1.54 0.14 1.55 2.07 -0.83 -2.12 116.25 118.60 1wrs h VAL 55 Ca 0.79 -2.86 -0.28 0.00 0.82 0.00 0.00 66.70 65.18 1wrs h VAL 55 Cb 2.75 2.63 0.01 0.00 -1.52 0.00 0.00 31.29 35.16 1wrs h VAL 55 CO -0.30 0.83 -1.25 0.08 0.02 0.00 0.00 177.57 176.95 1wrs h ARG 56 N 0.08 0.31 -0.00 1.57 0.11 0.85 -2.81 114.38 114.48 1wrs h ARG 56 Ca -0.05 -0.51 -0.23 0.00 0.10 0.00 0.00 59.98 59.29 1wrs h ARG 56 Cb 1.64 0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.92 1wrs h ARG 56 CO 0.15 1.24 -0.95 0.97 0.10 0.00 0.00 179.97 181.47 1wrs h ILE 57 N 0.09 1.38 0.80 0.08 -0.00 -0.90 -2.65 117.51 116.31 1wrs h ILE 57 Ca -0.14 -2.41 -0.04 0.00 -0.00 0.00 0.00 64.86 62.27 1wrs h ILE 57 Cb 1.97 2.40 0.01 0.00 -0.00 0.00 0.00 36.82 41.20 1wrs h ILE 57 CO 0.21 0.72 -0.38 0.58 -0.00 0.00 0.00 178.15 179.28 1wrs h VAL 58 N 0.26 0.00 -0.87 2.19 2.07 -1.46 -2.41 116.25 116.03 1wrs h VAL 58 Ca -0.08 -0.08 0.23 0.00 0.82 0.00 0.00 66.70 67.59 1wrs h VAL 58 Cb 1.59 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.22 1wrs h VAL 58 CO 0.17 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 177.67 1wrs h GLU 59 N -1.14 0.22 -0.20 1.57 4.39 -1.59 0.99 114.58 118.81 1wrs h GLU 59 Ca -0.11 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.63 1wrs h GLU 59 Cb 0.82 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.36 1wrs h GLU 59 CO 0.18 0.14 -0.19 1.49 -1.16 0.00 0.00 179.01 179.48 1wrs h GLU 60 N 0.23 -0.19 0.00 2.33 4.81 -1.26 0.13 114.58 120.63 1wrs h GLU 60 Ca 0.54 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1wrs h GLU 60 Cb 1.09 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1wrs h GLU 60 CO -0.64 -0.13 0.00 1.28 -0.73 0.00 0.00 179.01 178.79 1wrs n LEU 61 N -5.34 0.00 -0.91 1.64 4.77 0.16 -3.02 117.00 114.30 1wrs n LEU 61 Ca -0.01 0.08 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1wrs n LEU 61 Cb 0.25 -0.08 0.24 0.00 -2.33 0.00 0.00 43.42 41.49 1wrs n LEU 61 CO 0.18 -0.01 0.70 -0.11 -1.33 0.00 0.00 177.39 176.82 1wrs n LEU 62 N -1.08 3.86 0.00 2.23 7.94 0.43 -4.79 117.00 125.58 1wrs n LEU 62 Ca 0.17 -3.21 0.00 0.00 -1.11 0.00 0.00 56.01 51.86 1wrs n LEU 62 Cb 0.12 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 43.51 1wrs n LEU 62 CO 0.16 0.82 0.04 0.54 -1.11 0.00 0.00 177.39 177.84 1wrs n ARG 63 N -0.74 0.00 0.00 1.96 5.12 -0.96 -4.97 116.66 117.07 1wrs n ARG 63 Ca 0.24 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1wrs n ARG 63 Cb 0.92 -0.63 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wrs n GLY 64 N 2.02 0.13 2.10 -0.13 0.00 -1.26 -5.09 105.19 102.96 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 -2.15 0.00 -1.04 1.61 1.02 -1.26 -5.12 120.64 113.70 1wrs n GLU 65 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1wrs n GLU 65 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1wrs n GLU 65 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1wrs n MET 66 N -3.05 0.00 -2.71 3.49 1.56 -1.26 -4.94 117.12 110.20 1wrs n MET 66 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 1wrs n MET 66 Cb 0.00 -0.76 0.06 0.00 2.15 0.00 0.00 33.22 34.67 1wrs n MET 66 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1wrs n SER 67 N 1.58 -2.27 0.00 6.12 3.41 -1.26 -4.85 113.62 116.36 1wrs n SER 67 Ca 0.12 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1wrs n SER 67 Cb 0.22 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 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 1.74 2.41 -0.07 4.33 6.02 -1.26 -4.76 117.38 125.79 1wrs n GLN 68 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1wrs n GLN 68 Cb 0.65 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 31.12 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 -1.14 0.58 -1.01 -1.09 3.00 -1.26 -3.77 116.66 111.96 1wrs n ARG 69 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 1wrs n ARG 69 Cb 0.16 -1.21 0.31 0.00 0.00 0.00 0.00 32.46 31.72 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 0.96 3.74 -1.98 -0.14 0.28 -1.26 -4.98 120.64 117.26 1wrs n GLU 70 Ca 0.00 -3.10 -0.42 0.00 -0.16 0.00 0.00 57.16 53.48 1wrs n GLU 70 Cb 0.29 -2.21 -0.03 0.00 1.43 0.00 0.00 31.44 30.92 1wrs n GLU 70 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1wrs s LEU 71 N -3.00 4.37 0.05 -1.84 2.96 -1.25 -4.93 118.68 115.04 1wrs s LEU 71 Ca 0.55 2.59 -0.31 0.00 -0.22 0.00 0.00 54.13 56.75 1wrs s LEU 71 Cb 0.44 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.46 1wrs s LEU 71 CO 0.13 -0.78 1.43 -0.75 -1.32 0.00 0.00 176.35 175.07 1wrs s LYS 72 N 0.79 4.28 0.00 1.98 2.20 -1.26 -4.96 119.74 122.77 1wrs s LYS 72 Ca 0.67 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1wrs s LYS 72 Cb -0.42 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1wrs s LYS 72 CO 0.34 -0.55 0.00 0.09 -0.36 0.00 0.00 175.35 174.87 1wrs n ASN 73 N 4.94 0.00 0.00 1.43 3.02 -1.26 -5.06 115.26 118.33 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 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1wrs n ASN 73 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wrs n GLU 74 N 0.00 0.00 0.00 3.52 0.28 -1.26 -4.85 120.64 118.33 1wrs n GLU 74 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 1wrs n GLU 74 Cb 0.00 -0.39 0.02 0.00 1.43 0.00 0.00 31.44 32.50 1wrs n GLU 74 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wrs n LEU 75 N -1.08 1.29 0.00 -1.84 4.77 -1.26 -4.79 117.00 114.10 1wrs n LEU 75 Ca 0.00 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1wrs n LEU 75 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wrs n LEU 75 CO 0.00 0.28 0.41 0.61 -1.33 0.00 0.00 177.39 177.36 1wrs n GLY 76 N 0.31 -2.79 0.00 -0.72 0.00 -1.26 -5.00 105.19 95.73 1wrs n GLY 76 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.61 0.00 -3.62 4.61 0.00 -1.26 -5.06 120.51 113.56 1wrs n ALA 77 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1wrs n ALA 77 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.11 0.35 0.00 0.00 -1.26 -5.01 107.32 101.29 1wrs s GLY 78 Ca 0.00 2.62 0.14 0.00 0.00 0.00 0.00 44.72 47.48 1wrs s GLY 78 CO 0.00 1.60 1.58 1.19 0.00 0.00 0.00 173.10 177.48 1wrs h ILE 79 N 3.19 0.03 0.30 0.90 6.09 -2.00 -1.24 117.51 124.79 1wrs h ILE 79 Ca -0.25 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 1wrs h ILE 79 Cb 1.18 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.47 1wrs h ILE 79 CO 0.18 0.00 -0.14 0.00 -3.07 0.00 0.00 178.15 175.12 1wrs h ALA 80 N 1.98 -0.84 -0.81 0.18 0.00 -2.00 -2.35 119.26 115.43 1wrs h ALA 80 Ca 0.76 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.81 1wrs h ALA 80 Cb 1.86 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 19.66 1wrs h ALA 80 CO -0.81 -0.81 0.06 2.41 0.00 0.00 0.00 179.25 180.10 1wrs n THR 81 N -3.38 -0.34 0.02 0.00 -1.04 -0.52 0.63 114.28 109.65 1wrs n THR 81 Ca -0.05 1.76 -0.12 0.00 -2.04 0.00 0.00 64.05 63.60 1wrs n THR 81 Cb 0.16 -2.60 0.01 0.00 -1.82 0.00 0.00 70.33 66.07 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 1.34 0.00 12.58 3.07 -1.44 -3.03 117.51 130.03 1wrs h ILE 82 Ca 0.51 -2.01 0.00 0.00 1.55 0.00 0.00 64.86 64.92 1wrs h ILE 82 Cb 1.10 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 39.64 1wrs h ILE 82 CO -0.74 0.62 0.00 0.41 -1.05 0.00 0.00 178.15 177.38 1wrs n THR 83 N -3.90 0.00 0.17 0.16 -1.04 0.20 -0.84 114.28 109.03 1wrs n THR 83 Ca -0.05 1.38 0.08 0.00 -2.04 0.00 0.00 64.05 63.43 1wrs n THR 83 Cb 0.69 -2.20 0.45 0.00 -1.82 0.00 0.00 70.33 67.45 1wrs n THR 83 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1wrs n ARG 84 N -1.98 0.11 0.37 -2.82 0.00 -1.15 -0.60 116.66 110.58 1wrs n ARG 84 Ca 0.00 0.60 -0.15 0.00 -0.00 0.00 0.00 57.85 58.29 1wrs n ARG 84 Cb 0.00 -2.05 -0.07 0.00 -0.00 0.00 0.00 32.46 30.34 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 -1.00 0.46 2.89 0.00 -0.86 -2.64 103.07 101.93 1wrs h GLY 85 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 47.33 47.41 1wrs h GLY 85 CO 0.00 -0.37 -1.55 1.48 0.00 0.00 0.00 176.54 176.10 1wrs h SER 86 N -1.22 0.32 0.00 0.19 4.64 -0.81 -3.31 113.55 113.35 1wrs h SER 86 Ca -0.10 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 1wrs h SER 86 Cb 0.75 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1wrs h SER 86 CO 0.16 1.66 0.00 -3.20 -0.87 0.00 0.00 176.83 174.59 1wrs n ASN 87 N -3.90 0.00 0.24 4.97 2.85 0.23 -3.02 115.26 116.64 1wrs n ASN 87 Ca -0.28 -0.81 0.12 0.00 -0.11 0.00 0.00 54.58 53.50 1wrs n ASN 87 Cb 0.90 0.00 0.59 0.00 1.24 0.00 0.00 39.78 42.51 1wrs n ASN 87 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wrs h SER 88 N 0.00 0.00 -0.82 1.20 0.02 -1.56 -3.27 113.55 109.12 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 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1wrs h SER 88 CO 0.00 0.16 0.54 0.18 -1.14 0.00 0.00 176.83 176.57 1wrs n LEU 89 N -3.42 0.09 -0.01 5.07 4.77 -1.17 -1.32 117.00 121.02 1wrs n LEU 89 Ca -0.01 0.72 -0.02 0.00 -0.03 0.00 0.00 56.01 56.67 1wrs n LEU 89 Cb 0.34 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1wrs n LEU 89 CO 0.31 -0.77 -0.17 2.29 -1.33 0.00 0.00 177.39 177.71 1wrs n LYS 90 N -3.63 0.14 -0.29 3.23 2.85 -1.23 -4.67 118.16 114.56 1wrs n LYS 90 Ca 0.23 0.05 0.26 0.00 -1.05 0.00 0.00 58.31 57.80 1wrs n LYS 90 Cb 0.91 -0.62 0.46 0.00 -0.65 0.00 0.00 35.03 35.13 1wrs n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wrs n ALA 91 N -3.26 0.87 -0.80 0.58 0.00 -1.02 -4.48 120.51 112.40 1wrs n ALA 91 Ca -0.04 0.67 -0.32 0.00 0.00 0.00 0.00 53.44 53.75 1wrs n ALA 91 Cb 0.13 -0.75 0.14 0.00 0.00 0.00 0.00 19.45 18.98 1wrs n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs n ALA 92 N -2.51 -1.46 -0.47 0.00 0.00 -0.44 -4.95 120.51 110.68 1wrs n ALA 92 Ca 0.28 -0.54 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 1wrs n ALA 92 Cb 1.03 -2.03 0.26 0.00 0.00 0.00 0.00 19.45 18.71 1wrs n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wrs n PRO 93 N -2.97 -2.58 -0.01 0.00 -0.01 -1.26 -4.98 135.00 123.19 1wrs n PRO 93 Ca 0.10 -0.72 0.04 0.00 -0.01 0.00 0.00 63.50 62.91 1wrs n PRO 93 Cb 0.52 -2.14 -0.09 0.00 -0.01 0.00 0.00 33.50 31.78 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 -5.02 0.11 1.26 -1.45 0.31 -1.26 -4.40 118.33 107.87 1wrs n VAL 94 Ca 0.02 -0.30 0.13 0.00 -0.01 0.00 0.00 64.34 64.18 1wrs n VAL 94 Cb 0.54 0.09 0.32 0.00 -0.91 0.00 0.00 33.84 33.89 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 -1.99 1.71 -0.08 5.55 1.02 -1.26 -4.08 120.64 121.51 1wrs n GLU 95 Ca -0.04 -1.20 -0.11 0.00 -0.02 0.00 0.00 57.16 55.78 1wrs n GLU 95 Cb 0.39 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.41 0.49 -0.26 -4.62 7.94 -1.26 -4.28 117.00 115.42 1wrs n LEU 96 Ca 0.16 0.09 0.06 0.00 -1.11 0.00 0.00 56.01 55.21 1wrs n LEU 96 Cb 0.44 0.28 0.30 0.00 0.53 0.00 0.00 43.42 44.97 1wrs n LEU 96 CO 0.18 0.52 1.23 0.03 -1.11 0.00 0.00 177.39 178.24 1wrs h ARG 97 N 0.00 0.85 0.00 1.96 -0.00 -1.77 0.38 114.38 115.80 1wrs h ARG 97 Ca -0.49 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 58.94 1wrs h ARG 97 Cb 2.16 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 31.94 1wrs h ARG 97 CO 0.03 0.56 0.00 1.04 0.00 0.00 0.00 179.97 181.61 1wrs n GLN 98 N -4.50 0.01 -0.07 0.04 6.02 -1.26 -3.35 117.38 114.27 1wrs n GLN 98 Ca 0.14 0.35 -0.06 0.00 -0.01 0.00 0.00 57.00 57.41 1wrs n GLN 98 Cb 0.26 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 1wrs n GLN 98 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1wrs n TRP 99 N -1.55 0.16 -0.39 1.08 -0.00 0.13 -4.50 117.44 112.36 1wrs n TRP 99 Ca 0.02 0.07 0.35 0.00 -0.00 0.00 0.00 57.50 57.94 1wrs n TRP 99 Cb 0.11 -0.45 0.62 0.00 -0.00 0.00 0.00 31.31 31.59 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 -4.03 0.27 -0.37 5.87 7.99 -0.75 0.11 117.00 126.09 1wrs n LEU 100 Ca -0.10 1.49 0.32 0.00 -0.01 0.00 0.00 56.01 57.72 1wrs n LEU 100 Cb 0.36 -0.73 0.59 0.00 -0.11 0.00 0.00 43.42 43.53 1wrs n LEU 100 CO 0.15 -1.65 1.13 -0.33 -1.51 0.00 0.00 177.39 175.18 1wrs h GLU 101 N 0.00 0.09 0.00 3.23 4.39 -1.78 1.00 114.58 121.51 1wrs h GLU 101 Ca 0.84 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 60.33 1wrs h GLU 101 Cb 2.48 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 31.07 1wrs h GLU 101 CO -0.61 0.06 -1.55 0.39 -1.16 0.00 0.00 179.01 176.15 1wrs n GLU 102 N -5.02 0.63 0.00 2.33 1.02 0.31 -2.79 120.64 117.11 1wrs n GLU 102 Ca 0.37 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.87 1wrs n GLU 102 Cb 1.29 -1.79 0.35 0.00 -0.02 0.00 0.00 31.44 31.26 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 -2.93 0.00 -0.12 2.62 0.31 0.23 -3.37 118.33 115.07 1wrs n VAL 103 Ca -0.13 -0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1wrs n VAL 103 Cb 0.91 0.11 -0.08 0.00 -0.91 0.00 0.00 33.84 33.88 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 -1.38 1.94 0.04 7.52 7.94 0.28 -4.19 117.00 129.15 1wrs n LEU 104 Ca 0.07 0.36 -0.02 0.00 -1.11 0.00 0.00 56.01 55.31 1wrs n LEU 104 Cb 0.33 -0.82 -0.01 0.00 0.53 0.00 0.00 43.42 43.46 1wrs n LEU 104 CO 0.32 0.29 0.25 -0.07 -1.11 0.00 0.00 177.39 177.07 1wrs h LEU 105 N -1.00 -0.08 -1.05 -1.96 -0.00 -1.66 -3.17 115.31 106.39 1wrs h LEU 105 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1wrs h LEU 105 Cb 1.39 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.07 1wrs h LEU 105 CO -0.28 -0.02 0.50 0.50 -0.00 0.00 0.00 178.44 179.14 1wrs h LYS 106 N -0.18 0.00 0.00 1.13 1.63 -1.75 -3.51 116.57 113.89 1wrs h LYS 106 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1wrs h LYS 106 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1wrs h LYS 106 CO 0.02 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.45