#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bx5 s ILE 2 N 0.00 2.57 0.32 5.18 1.01 -1.26 -5.09 121.20 123.94 2bx5 s ILE 2 Ca 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 60.65 59.25 2bx5 s ILE 2 Cb 0.00 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 2bx5 s ILE 2 CO 0.00 0.30 0.62 -1.10 0.00 0.00 0.00 174.94 174.76 2bx5 s GLN 3 N -1.52 3.71 -0.24 2.79 1.11 -1.26 -4.75 119.66 119.49 2bx5 s GLN 3 Ca 0.14 0.20 0.00 0.00 0.01 0.00 0.00 55.36 55.72 2bx5 s GLN 3 Cb -0.10 -2.56 0.07 0.00 -1.01 0.00 0.00 33.01 29.40 2bx5 s GLN 3 CO 0.05 0.15 -0.01 -1.64 0.01 0.00 0.00 175.29 173.85 2bx5 s MET 4 N -3.53 1.34 -1.02 2.91 -1.94 -1.26 -1.67 119.30 114.14 2bx5 s MET 4 Ca 0.47 -0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 53.36 2bx5 s MET 4 Cb -0.11 -2.48 0.24 0.00 2.01 0.00 0.00 34.83 34.49 2bx5 s MET 4 CO 0.29 -0.68 1.03 0.99 -0.01 0.00 0.00 175.02 176.63 2bx5 s THR 5 N 1.46 5.73 0.06 2.05 2.01 0.31 -4.49 115.64 122.77 2bx5 s THR 5 Ca -0.02 -2.94 -0.15 0.00 0.31 0.00 0.00 61.69 58.89 2bx5 s THR 5 Cb -0.18 -4.60 -0.06 0.00 0.01 0.00 0.00 72.50 67.67 2bx5 s THR 5 CO -0.09 -1.19 0.48 -1.58 -0.69 0.00 0.00 174.62 171.55 2bx5 s GLN 6 N -0.33 3.97 0.17 4.92 0.74 -1.26 -2.78 119.66 125.09 2bx5 s GLN 6 Ca 0.28 0.47 -0.17 0.00 0.05 0.00 0.00 55.36 55.99 2bx5 s GLN 6 Cb -0.09 -3.12 0.03 0.00 1.10 0.00 0.00 33.01 30.93 2bx5 s GLN 6 CO -0.08 0.61 0.48 -1.54 -0.55 0.00 0.00 175.29 174.22 2bx5 s SER 7 N -1.34 -0.26 1.06 6.67 1.04 -0.71 -4.82 113.70 115.34 2bx5 s SER 7 Ca 0.30 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 56.13 2bx5 s SER 7 Cb -0.17 0.54 0.24 0.00 0.10 0.00 0.00 66.02 66.74 2bx5 s SER 7 CO 0.17 -0.98 1.26 -2.84 0.98 0.00 0.00 173.24 171.82 2bx5 s PRO 8 N -3.85 -0.14 0.21 4.02 0.02 -1.26 -2.11 135.00 131.89 2bx5 s PRO 8 Ca 0.07 -0.34 0.15 0.00 0.02 0.00 0.00 61.00 60.90 2bx5 s PRO 8 Cb -0.00 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.76 2bx5 s PRO 8 CO -0.06 -2.95 1.29 1.03 -0.33 0.00 0.00 177.00 175.98 2bx5 h SER 9 N -2.03 0.00 -4.68 2.53 0.87 -1.88 -3.42 113.55 104.94 2bx5 h SER 9 Ca -0.44 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.33 2bx5 h SER 9 Cb 1.25 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.05 2bx5 h SER 9 CO 0.34 0.57 0.68 -0.94 -0.53 0.00 0.00 176.83 176.95 2bx5 s SER 10 N -6.33 -0.20 -0.04 6.23 1.04 -1.26 -3.61 113.70 109.53 2bx5 s SER 10 Ca 0.02 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 2bx5 s SER 10 Cb 0.08 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.49 2bx5 s SER 10 CO 0.77 -0.43 0.05 -0.76 0.98 0.00 0.00 173.24 173.84 2bx5 s LEU 11 N -2.46 0.45 0.01 2.42 1.02 -0.04 -4.96 118.68 115.12 2bx5 s LEU 11 Ca 0.09 0.06 -0.20 0.00 0.02 0.00 0.00 54.13 54.09 2bx5 s LEU 11 Cb -0.00 -0.14 -0.06 0.00 0.02 0.00 0.00 46.19 46.01 2bx5 s LEU 11 CO -0.05 -0.21 0.59 -0.44 0.02 0.00 0.00 176.35 176.26 2bx5 s SER 12 N 1.83 7.00 0.29 2.29 0.01 -1.25 -0.26 113.70 123.60 2bx5 s SER 12 Ca 0.01 1.19 -0.14 0.00 1.31 0.00 0.00 55.95 58.31 2bx5 s SER 12 Cb -0.12 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.75 2bx5 s SER 12 CO -0.03 0.13 0.60 0.00 0.41 0.00 0.00 173.24 174.35 2bx5 s ALA 13 N -0.36 -0.49 0.11 1.44 0.00 -0.90 -4.99 121.76 116.58 2bx5 s ALA 13 Ca 0.31 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2bx5 s ALA 13 Cb -0.19 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2bx5 s ALA 13 CO 0.18 -0.92 -0.23 -1.54 0.00 0.00 0.00 175.76 173.24 2bx5 s SER 14 N -3.02 2.81 -0.67 0.00 1.04 -1.26 -4.19 113.70 108.41 2bx5 s SER 14 Ca 0.19 -0.71 -0.26 0.00 0.48 0.00 0.00 55.95 55.65 2bx5 s SER 14 Cb -0.03 -0.17 -0.07 0.00 0.10 0.00 0.00 66.02 65.85 2bx5 s SER 14 CO 0.10 0.10 2.20 -0.69 0.98 0.00 0.00 173.24 175.93 2bx5 s VAL 15 N -1.13 3.17 0.00 5.02 1.01 -1.26 -2.14 120.40 125.07 2bx5 s VAL 15 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2bx5 s VAL 15 Cb -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2bx5 s VAL 15 CO 0.05 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.36 2bx5 n GLY 16 N 6.30 -0.33 3.87 4.51 0.00 -1.05 -4.91 105.19 113.57 2bx5 n GLY 16 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 2bx5 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bx5 s ASP 17 N 0.00 6.01 -0.91 1.61 1.11 -0.91 -4.52 116.67 119.07 2bx5 s ASP 17 Ca 0.00 0.12 -0.25 0.00 0.18 0.00 0.00 52.55 52.60 2bx5 s ASP 17 Cb 0.00 -1.75 -0.11 0.00 1.07 0.00 0.00 42.92 42.13 2bx5 s ASP 17 CO 0.00 0.14 2.16 -0.60 1.18 0.00 0.00 175.17 178.04 2bx5 s ARG 18 N -2.67 1.99 0.42 8.23 3.52 -1.06 -2.48 118.95 126.90 2bx5 s ARG 18 Ca 0.33 -0.07 -0.25 0.00 -0.13 0.00 0.00 55.73 55.60 2bx5 s ARG 18 Cb -0.12 -4.96 -0.08 0.00 -1.56 0.00 0.00 34.95 28.23 2bx5 s ARG 18 CO 0.26 -4.13 1.23 0.08 -0.81 0.00 0.00 175.30 171.93 2bx5 s VAL 19 N 12.94 2.87 -0.18 7.11 1.01 -1.06 -4.97 120.40 138.12 2bx5 s VAL 19 Ca 0.80 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.47 2bx5 s VAL 19 Cb -0.08 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.96 2bx5 s VAL 19 CO 0.06 0.07 0.15 -0.89 0.00 0.00 0.00 175.10 174.49 2bx5 s THR 20 N -1.36 -0.20 -0.26 3.92 2.01 -1.26 -2.58 115.64 115.92 2bx5 s THR 20 Ca 0.59 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 2bx5 s THR 20 Cb -0.34 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 2bx5 s THR 20 CO 0.43 -0.21 0.03 -0.63 -0.69 0.00 0.00 174.62 173.54 2bx5 s ILE 21 N 2.22 3.81 0.01 1.82 1.01 0.89 -4.66 121.20 126.30 2bx5 s ILE 21 Ca 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 2bx5 s ILE 21 Cb -0.16 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2bx5 s ILE 21 CO -0.10 0.26 0.23 0.42 0.00 0.00 0.00 174.94 175.75 2bx5 s THR 22 N 1.51 5.37 0.07 2.92 -4.23 -0.90 0.28 115.64 120.66 2bx5 s THR 22 Ca 0.04 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2bx5 s THR 22 Cb -0.16 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 2bx5 s THR 22 CO 0.01 0.33 -0.07 0.00 -0.54 0.00 0.00 174.62 174.35 2bx5 s ARG 24 N -2.92 0.39 0.28 0.00 6.06 -1.12 -1.31 118.95 120.33 2bx5 s ARG 24 Ca 0.02 1.01 -0.06 0.00 -2.50 0.00 0.00 55.73 54.20 2bx5 s ARG 24 Cb -0.01 0.26 -0.06 0.00 0.06 0.00 0.00 34.95 35.20 2bx5 s ARG 24 CO -0.03 -0.21 0.56 0.00 -2.50 0.00 0.00 175.30 173.12 2bx5 s ALA 25 N 2.20 3.60 0.03 6.12 0.00 0.10 0.11 121.76 133.93 2bx5 s ALA 25 Ca -0.05 -0.47 0.29 0.00 0.00 0.00 0.00 51.96 51.72 2bx5 s ALA 25 Cb -0.10 -2.35 1.05 0.00 0.00 0.00 0.00 23.12 21.71 2bx5 s ALA 25 CO -0.14 0.30 1.87 0.66 0.00 0.00 0.00 175.76 178.45 2bx5 h SER 26 N 1.88 0.00 -3.56 0.00 4.64 -1.66 -3.45 113.55 111.40 2bx5 h SER 26 Ca -0.47 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.59 2bx5 h SER 26 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 2bx5 h SER 26 CO 0.67 0.09 -0.24 0.00 -0.87 0.00 0.00 176.83 176.47 2bx5 n GLN 27 N -3.20 0.27 -2.66 4.77 10.64 -1.26 -4.95 117.38 120.99 2bx5 n GLN 27 Ca 0.01 -1.90 -0.40 0.00 -1.83 0.00 0.00 57.00 52.89 2bx5 n GLN 27 Cb 0.39 1.60 -0.05 0.00 -0.86 0.00 0.00 30.24 31.31 2bx5 n GLN 27 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2bx5 s SER 28 N -2.35 7.46 0.00 2.61 0.15 -1.26 -4.31 113.70 116.01 2bx5 s SER 28 Ca 0.22 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2bx5 s SER 28 Cb 0.01 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2bx5 s SER 28 CO 0.16 0.02 0.58 2.30 1.20 0.00 0.00 173.24 177.49 2bx5 n ILE 29 N 1.22 0.00 0.00 6.45 -5.35 -1.05 -5.00 119.36 115.63 2bx5 n ILE 29 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2bx5 n ILE 29 Cb 0.47 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 2bx5 n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2bx5 n SER 30 N 0.00 0.00 0.00 7.28 2.88 -1.26 -1.35 113.62 121.17 2bx5 n SER 30 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bx5 n SER 30 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2bx5 n SER 30 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2bx5 n SER 31 N 4.11 0.00 -2.62 -3.46 3.41 -1.26 -3.31 113.62 110.49 2bx5 n SER 31 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2bx5 n SER 31 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2bx5 n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2bx5 n TYR 32 N 0.00 1.23 -3.85 7.33 4.02 -0.45 -0.37 117.16 125.06 2bx5 n TYR 32 Ca 0.00 -2.18 -0.26 0.00 -0.01 0.00 0.00 57.90 55.44 2bx5 n TYR 32 Cb 0.00 -1.87 -0.17 0.00 -0.02 0.00 0.00 39.34 37.29 2bx5 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2bx5 s LEU 33 N -0.48 1.17 0.18 7.72 0.20 -1.26 -1.57 118.68 124.63 2bx5 s LEU 33 Ca 0.65 -0.42 -0.06 0.00 0.69 0.00 0.00 54.13 55.00 2bx5 s LEU 33 Cb 0.27 -0.74 -0.06 0.00 -0.43 0.00 0.00 46.19 45.24 2bx5 s LEU 33 CO -0.06 -0.18 0.43 0.20 -0.29 0.00 0.00 176.35 176.45 2bx5 s ASN 34 N 1.77 6.51 -0.06 3.68 0.01 -0.67 -0.46 114.94 125.72 2bx5 s ASN 34 Ca 0.03 0.67 0.03 0.00 -0.71 0.00 0.00 52.86 52.88 2bx5 s ASN 34 Cb -0.14 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 2bx5 s ASN 34 CO -0.07 -0.00 -0.14 0.26 -1.51 0.00 0.00 177.10 175.63 2bx5 s TRP 35 N -1.74 2.72 0.06 2.20 0.52 0.80 -1.44 118.94 122.05 2bx5 s TRP 35 Ca 0.43 -0.21 0.08 0.00 0.02 0.00 0.00 56.10 56.41 2bx5 s TRP 35 Cb -0.12 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 2bx5 s TRP 35 CO 0.24 0.14 -0.21 0.71 0.02 0.00 0.00 176.95 177.86 2bx5 s TYR 36 N -0.60 1.81 -0.07 -1.98 1.51 -0.25 -0.39 117.35 117.38 2bx5 s TYR 36 Ca 0.09 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2bx5 s TYR 36 Cb -0.11 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 2bx5 s TYR 36 CO 0.01 0.13 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.33 2bx5 s GLN 37 N -1.41 2.70 -0.28 -0.62 0.74 -0.74 -1.32 119.66 118.73 2bx5 s GLN 37 Ca 0.07 -0.63 -0.03 0.00 0.05 0.00 0.00 55.36 54.83 2bx5 s GLN 37 Cb -0.09 -2.50 0.09 0.00 1.10 0.00 0.00 33.01 31.61 2bx5 s GLN 37 CO 0.03 0.60 0.11 -1.14 -0.55 0.00 0.00 175.29 174.34 2bx5 s GLN 38 N -0.66 0.36 0.21 1.67 0.74 -0.54 -2.21 119.66 119.24 2bx5 s GLN 38 Ca 0.10 -0.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 2bx5 s GLN 38 Cb -0.11 -1.52 -0.08 0.00 1.10 0.00 0.00 33.01 32.40 2bx5 s GLN 38 CO 0.01 -0.96 1.14 0.15 -0.55 0.00 0.00 175.29 175.09 2bx5 s LYS 39 N 1.95 4.56 0.29 1.67 1.02 -1.26 -2.22 119.74 125.74 2bx5 s LYS 39 Ca 0.08 1.81 -0.29 0.00 0.02 0.00 0.00 55.97 57.59 2bx5 s LYS 39 Cb -0.16 -3.23 -0.13 0.00 -0.52 0.00 0.00 37.83 33.78 2bx5 s LYS 39 CO -0.29 0.05 1.27 -0.35 -0.92 0.00 0.00 175.35 175.11 2bx5 n PRO 40 N 2.03 1.89 0.00 -1.68 -0.04 -1.26 -0.29 135.00 135.65 2bx5 n PRO 40 Ca 0.02 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2bx5 n PRO 40 Cb 0.45 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 2bx5 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bx5 n GLY 41 N 1.42 1.71 0.00 0.55 0.00 -1.26 -4.94 105.19 102.68 2bx5 n GLY 41 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2bx5 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bx5 n LYS 42 N 0.00 0.98 -4.39 1.61 4.76 0.60 -5.12 118.16 116.61 2bx5 n LYS 42 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2bx5 n LYS 42 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 2bx5 n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bx5 s ALA 43 N -3.64 2.34 0.67 7.82 0.00 -1.26 -4.74 121.76 122.95 2bx5 s ALA 43 Ca 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 51.96 50.15 2bx5 s ALA 43 Cb 0.00 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.28 2bx5 s ALA 43 CO 0.00 -0.52 1.09 -2.14 0.00 0.00 0.00 175.76 174.19 2bx5 s PRO 44 N -3.57 2.82 -0.18 0.00 0.02 -1.26 -4.25 135.00 128.59 2bx5 s PRO 44 Ca 0.33 1.28 -0.21 0.00 0.02 0.00 0.00 61.00 62.42 2bx5 s PRO 44 Cb 0.02 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 32.64 2bx5 s PRO 44 CO 0.22 -1.22 0.57 0.21 -0.33 0.00 0.00 177.00 176.45 2bx5 s LYS 45 N -4.31 0.72 -0.07 5.54 2.20 -0.94 -4.95 119.74 117.93 2bx5 s LYS 45 Ca 0.64 0.67 -0.26 0.00 -0.36 0.00 0.00 55.97 56.66 2bx5 s LYS 45 Cb -0.18 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 2bx5 s LYS 45 CO 0.44 -0.12 0.82 -1.17 -0.36 0.00 0.00 175.35 174.97 2bx5 s LEU 46 N 0.02 4.30 -0.17 5.43 1.98 -1.26 -1.80 118.68 127.18 2bx5 s LEU 46 Ca -0.02 1.34 -0.04 0.00 -2.89 0.00 0.00 54.13 52.52 2bx5 s LEU 46 Cb -0.04 -3.28 -0.09 0.00 0.66 0.00 0.00 46.19 43.44 2bx5 s LEU 46 CO 0.02 -0.24 -0.18 0.18 -1.89 0.00 0.00 176.35 174.24 2bx5 n LEU 47 N 4.19 2.06 -3.87 -0.68 4.77 0.47 -4.85 117.00 119.09 2bx5 n LEU 47 Ca 0.03 0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 2bx5 n LEU 47 Cb 0.51 -0.53 -0.17 0.00 -2.33 0.00 0.00 43.42 40.90 2bx5 n LEU 47 CO 0.49 0.56 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.07 2bx5 s ILE 48 N -2.32 0.59 0.33 -0.08 1.09 -1.12 -1.69 121.20 118.00 2bx5 s ILE 48 Ca -0.23 -0.10 0.07 0.00 -1.10 0.00 0.00 60.65 59.29 2bx5 s ILE 48 Cb 0.08 -0.64 -0.02 0.00 -1.06 0.00 0.00 42.46 40.81 2bx5 s ILE 48 CO 0.34 0.26 0.33 -0.72 -0.10 0.00 0.00 174.94 175.04 2bx5 s TYR 49 N 1.26 2.96 -1.12 3.97 -0.85 -0.82 -0.14 117.35 122.61 2bx5 s TYR 49 Ca -0.05 -0.27 -0.23 0.00 -0.52 0.00 0.00 57.07 55.99 2bx5 s TYR 49 Cb -0.14 -1.82 0.01 0.00 0.38 0.00 0.00 41.96 40.39 2bx5 s TYR 49 CO -0.02 0.16 0.73 0.00 -1.52 0.00 0.00 175.55 174.90 2bx5 n ALA 50 N -1.43 -2.60 0.00 9.51 0.00 -1.24 -2.45 120.51 122.30 2bx5 n ALA 50 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2bx5 n ALA 50 Cb 0.59 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.89 2bx5 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bx5 n ALA 51 N -4.27 0.00 -0.43 0.00 0.00 0.50 -3.18 120.51 113.14 2bx5 n ALA 51 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2bx5 n ALA 51 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2bx5 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bx5 n SER 52 N 0.26 0.00 -4.62 0.00 3.41 -1.23 -3.66 113.62 107.78 2bx5 n SER 52 Ca 0.00 -0.35 -0.43 0.00 -0.26 0.00 0.00 58.87 57.83 2bx5 n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2bx5 n SER 52 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2bx5 s SER 53 N 0.00 6.77 0.60 4.04 0.15 -1.02 -4.59 113.70 119.66 2bx5 s SER 53 Ca 0.00 0.77 -0.17 0.00 0.70 0.00 0.00 55.95 57.25 2bx5 s SER 53 Cb 0.00 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2bx5 s SER 53 CO 0.00 -0.88 1.10 -0.22 1.20 0.00 0.00 173.24 174.45 2bx5 s LEU 54 N 3.58 3.54 0.00 3.45 1.98 -1.26 -1.94 118.68 128.03 2bx5 s LEU 54 Ca 0.41 2.02 0.00 0.00 -2.89 0.00 0.00 54.13 53.68 2bx5 s LEU 54 Cb -0.12 -4.56 0.00 0.00 0.66 0.00 0.00 46.19 42.17 2bx5 s LEU 54 CO 0.18 -1.39 0.00 0.00 -1.89 0.00 0.00 176.35 173.25 2bx5 n GLN 55 N -1.93 0.46 -3.51 1.98 1.13 -0.68 -4.84 117.38 109.98 2bx5 n GLN 55 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2bx5 n GLN 55 Cb 0.52 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.83 2bx5 n GLN 55 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2bx5 s SER 56 N -1.00 -0.87 0.00 1.08 0.15 -1.26 -4.80 113.70 107.00 2bx5 s SER 56 Ca 0.00 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2bx5 s SER 56 Cb 0.00 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.29 2bx5 s SER 56 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2bx5 n GLY 57 N 5.22 3.00 3.60 9.45 0.00 -1.26 -5.04 105.19 120.15 2bx5 n GLY 57 Ca -0.10 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2bx5 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bx5 s VAL 58 N -2.94 4.95 0.93 1.61 0.11 -1.26 -5.04 120.40 118.75 2bx5 s VAL 58 Ca 0.00 0.90 -0.11 0.00 -2.93 0.00 0.00 61.98 59.84 2bx5 s VAL 58 Cb 0.00 -3.98 0.15 0.00 -1.53 0.00 0.00 36.38 31.02 2bx5 s VAL 58 CO 0.00 -0.11 1.10 -2.16 -3.33 0.00 0.00 175.10 170.60 2bx5 s PRO 59 N 2.58 0.93 0.00 1.54 0.04 -1.26 -4.78 135.00 134.05 2bx5 s PRO 59 Ca 0.25 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2bx5 s PRO 59 Cb -0.15 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2bx5 s PRO 59 CO 0.11 -2.55 1.12 -1.13 0.04 0.00 0.00 177.00 174.59 2bx5 n SER 60 N -4.13 3.08 0.00 6.66 3.41 -1.26 -3.34 113.62 118.04 2bx5 n SER 60 Ca 0.08 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 2bx5 n SER 60 Cb 0.54 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2bx5 n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2bx5 n ARG 61 N 1.29 0.46 -3.40 4.33 1.85 -1.26 -4.94 116.66 115.00 2bx5 n ARG 61 Ca 0.00 -0.38 -0.45 0.00 -1.00 0.00 0.00 57.85 56.02 2bx5 n ARG 61 Cb 0.34 -0.88 -0.05 0.00 -1.05 0.00 0.00 32.46 30.83 2bx5 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2bx5 s PHE 62 N -0.18 3.48 -0.11 2.89 0.40 -1.21 0.32 117.98 123.57 2bx5 s PHE 62 Ca 0.00 -1.77 -0.11 0.00 -0.60 0.00 0.00 56.93 54.45 2bx5 s PHE 62 Cb 0.00 -3.70 -0.05 0.00 0.51 0.00 0.00 43.02 39.78 2bx5 s PHE 62 CO 0.00 -0.99 0.25 0.45 0.70 0.00 0.00 175.22 175.63 2bx5 s SER 63 N 2.67 6.49 0.09 1.36 0.15 -0.09 -4.91 113.70 119.46 2bx5 s SER 63 Ca 0.10 0.58 0.01 0.00 0.70 0.00 0.00 55.95 57.34 2bx5 s SER 63 Cb -0.21 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2bx5 s SER 63 CO -0.03 0.27 0.21 -0.83 1.20 0.00 0.00 173.24 174.06 2bx5 s GLY 64 N -0.42 2.03 0.02 9.45 0.00 -1.26 -1.96 107.32 115.18 2bx5 s GLY 64 Ca 0.17 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.89 2bx5 s GLY 64 CO 0.06 -0.91 0.14 -1.35 0.00 0.00 0.00 173.10 171.03 2bx5 s SER 65 N -2.69 0.06 0.00 1.64 1.04 -1.03 -4.59 113.70 108.14 2bx5 s SER 65 Ca 0.34 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2bx5 s SER 65 Cb -0.12 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2bx5 s SER 65 CO 0.27 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2bx5 n GLY 66 N 1.19 0.73 3.52 7.32 0.00 -1.26 -2.58 105.19 114.11 2bx5 n GLY 66 Ca -0.21 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.58 2bx5 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bx5 s SER 67 N 0.00 -0.45 0.00 1.61 0.15 -1.25 -4.80 113.70 108.96 2bx5 s SER 67 Ca 0.00 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2bx5 s SER 67 Cb 0.00 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 2bx5 s SER 67 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2bx5 n GLY 68 N 4.16 1.10 0.11 9.45 0.00 -1.21 -4.44 105.19 114.35 2bx5 n GLY 68 Ca -0.14 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 2bx5 n GLY 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bx5 h THR 69 N 0.00 0.97 -3.68 2.61 2.02 -1.87 -2.78 112.91 110.18 2bx5 h THR 69 Ca 0.00 -2.69 -0.67 0.00 0.77 0.00 0.00 66.41 63.82 2bx5 h THR 69 Cb 0.00 2.62 -0.38 0.00 -1.74 0.00 0.00 68.15 68.64 2bx5 h THR 69 CO 0.00 0.76 -0.70 -0.62 0.37 0.00 0.00 175.52 175.33 2bx5 s ASP 70 N -6.75 4.82 0.40 4.18 2.15 -1.26 0.03 116.67 120.24 2bx5 s ASP 70 Ca -0.11 -1.98 0.08 0.00 0.43 0.00 0.00 52.55 50.97 2bx5 s ASP 70 Cb 0.07 -1.66 -0.05 0.00 -0.30 0.00 0.00 42.92 40.98 2bx5 s ASP 70 CO 0.83 -0.38 0.14 -0.36 -0.17 0.00 0.00 175.17 175.23 2bx5 s PHE 71 N 0.99 2.60 -0.07 -5.34 0.40 -0.43 -3.83 117.98 112.30 2bx5 s PHE 71 Ca 0.07 -0.56 -0.29 0.00 -0.60 0.00 0.00 56.93 55.54 2bx5 s PHE 71 Cb -0.20 -1.86 0.07 0.00 0.51 0.00 0.00 43.02 41.54 2bx5 s PHE 71 CO -0.06 0.26 0.66 0.99 0.70 0.00 0.00 175.22 177.77 2bx5 s THR 72 N -2.59 0.00 -0.11 0.64 2.01 -1.06 -1.42 115.64 113.11 2bx5 s THR 72 Ca 0.39 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 2bx5 s THR 72 Cb 0.03 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.60 2bx5 s THR 72 CO 0.22 -0.01 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.86 2bx5 s LEU 73 N -1.02 1.10 -0.30 4.42 2.96 0.80 -2.46 118.68 124.19 2bx5 s LEU 73 Ca -0.10 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2bx5 s LEU 73 Cb -0.01 -0.75 0.04 0.00 0.50 0.00 0.00 46.19 45.97 2bx5 s LEU 73 CO 0.09 -0.15 0.02 -0.89 -1.32 0.00 0.00 176.35 174.10 2bx5 s THR 74 N 1.77 3.30 -0.11 3.68 2.01 -0.83 -0.07 115.64 125.38 2bx5 s THR 74 Ca 0.04 -1.14 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 2bx5 s THR 74 Cb -0.13 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 2bx5 s THR 74 CO -0.07 -0.03 1.13 -0.63 -0.69 0.00 0.00 174.62 174.32 2bx5 s ILE 75 N 1.34 4.48 0.04 1.82 1.01 -1.06 -0.91 121.20 127.91 2bx5 s ILE 75 Ca -0.02 1.78 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 2bx5 s ILE 75 Cb -0.19 -4.15 -0.17 0.00 0.01 0.00 0.00 42.46 37.97 2bx5 s ILE 75 CO -0.00 -0.04 1.42 0.77 0.00 0.00 0.00 174.94 177.08 2bx5 h SER 76 N 7.45 -0.45 -3.32 3.58 4.64 -0.43 -2.81 113.55 122.21 2bx5 h SER 76 Ca -0.30 -0.09 -0.50 0.00 -0.47 0.00 0.00 61.79 60.43 2bx5 h SER 76 Cb 1.13 0.12 -0.35 0.00 -0.31 0.00 0.00 62.40 62.99 2bx5 h SER 76 CO 0.90 -0.17 -0.80 -0.55 -0.87 0.00 0.00 176.83 175.33 2bx5 s SER 77 N -4.87 1.83 0.24 4.97 0.15 -1.26 -2.55 113.70 112.22 2bx5 s SER 77 Ca -0.15 -0.27 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 2bx5 s SER 77 Cb 0.03 -0.78 -0.09 0.00 -1.71 0.00 0.00 66.02 63.48 2bx5 s SER 77 CO 0.58 -0.04 0.79 -0.22 1.20 0.00 0.00 173.24 175.54 2bx5 s LEU 78 N 1.15 4.37 0.24 3.45 2.96 -1.04 -4.84 118.68 124.98 2bx5 s LEU 78 Ca -0.06 1.55 0.05 0.00 -0.22 0.00 0.00 54.13 55.46 2bx5 s LEU 78 Cb -0.14 -3.67 -0.05 0.00 0.50 0.00 0.00 46.19 42.82 2bx5 s LEU 78 CO -0.02 0.02 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.90 2bx5 s GLN 79 N -1.91 1.41 0.08 1.98 -1.52 -1.26 -2.54 119.66 115.90 2bx5 s GLN 79 Ca 0.44 -1.70 -0.34 0.00 -1.95 0.00 0.00 55.36 51.81 2bx5 s GLN 79 Cb -0.18 -0.86 -0.16 0.00 -0.22 0.00 0.00 33.01 31.59 2bx5 s GLN 79 CO 0.22 -0.02 1.59 -1.35 -0.25 0.00 0.00 175.29 175.48 2bx5 h PRO 80 N 2.41 -0.92 -0.31 2.91 0.11 -2.00 0.12 132.00 134.32 2bx5 h PRO 80 Ca -0.39 0.06 0.12 0.00 0.11 0.00 0.00 66.00 65.91 2bx5 h PRO 80 Cb 1.22 0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.49 2bx5 h PRO 80 CO 0.65 -0.61 0.14 -0.85 -0.21 0.00 0.00 178.00 177.12 2bx5 n GLU 81 N -5.54 -0.02 0.15 1.05 0.28 -1.26 -2.00 120.64 113.30 2bx5 n GLU 81 Ca -0.12 0.44 0.13 0.00 -0.16 0.00 0.00 57.16 57.45 2bx5 n GLU 81 Cb 0.43 -0.77 0.46 0.00 1.43 0.00 0.00 31.44 32.99 2bx5 n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2bx5 h ASP 82 N 0.00 0.00 -0.85 -1.84 3.32 -1.15 -3.44 116.42 112.46 2bx5 h ASP 82 Ca 0.25 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.64 2bx5 h ASP 82 Cb 0.64 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.24 2bx5 h ASP 82 CO -0.25 0.00 0.01 0.33 -1.72 0.00 0.00 179.24 177.61 2bx5 n PHE 83 N -2.42 0.47 0.00 4.55 -0.00 -0.85 -4.88 117.46 114.33 2bx5 n PHE 83 Ca 0.03 0.89 0.00 0.00 -0.00 0.00 0.00 57.45 58.37 2bx5 n PHE 83 Cb 0.33 -1.76 0.00 0.00 -0.00 0.00 0.00 39.48 38.05 2bx5 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bx5 n ALA 84 N 1.17 0.00 -2.58 3.13 0.00 -1.05 -4.73 120.51 116.45 2bx5 n ALA 84 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2bx5 n ALA 84 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 2bx5 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bx5 s THR 85 N -2.00 5.05 -0.18 0.00 2.01 -0.94 -1.16 115.64 118.41 2bx5 s THR 85 Ca 0.00 0.51 -0.08 0.00 0.31 0.00 0.00 61.69 62.43 2bx5 s THR 85 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2bx5 s THR 85 CO 0.00 -0.10 0.07 -0.31 -0.69 0.00 0.00 174.62 173.59 2bx5 s TYR 86 N 2.34 3.26 -0.00 4.92 1.51 -0.72 -1.46 117.35 127.20 2bx5 s TYR 86 Ca 0.19 0.09 0.07 0.00 -1.01 0.00 0.00 57.07 56.41 2bx5 s TYR 86 Cb -0.16 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 2bx5 s TYR 86 CO 0.12 0.17 -0.22 0.71 -1.11 0.00 0.00 175.55 175.22 2bx5 s TYR 87 N 0.35 1.92 0.13 2.71 1.51 -0.43 -1.48 117.35 122.05 2bx5 s TYR 87 Ca 0.03 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 2bx5 s TYR 87 Cb -0.12 -1.22 -0.06 0.00 -0.11 0.00 0.00 41.96 40.45 2bx5 s TYR 87 CO -0.00 -0.00 0.45 0.00 -1.11 0.00 0.00 175.55 174.89 2bx5 s GLN 89 N -2.22 0.53 -0.21 0.00 0.74 -0.52 0.91 119.66 118.89 2bx5 s GLN 89 Ca 0.38 -0.95 -0.04 0.00 0.05 0.00 0.00 55.36 54.80 2bx5 s GLN 89 Cb -0.13 0.19 -0.01 0.00 1.10 0.00 0.00 33.01 34.15 2bx5 s GLN 89 CO 0.20 -0.11 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.66 2bx5 s GLN 90 N -2.96 3.46 0.39 1.67 -0.44 -1.11 -1.66 119.66 119.01 2bx5 s GLN 90 Ca -0.02 -0.59 0.21 0.00 -2.50 0.00 0.00 55.36 52.46 2bx5 s GLN 90 Cb 0.01 -3.02 0.26 0.00 -1.64 0.00 0.00 33.01 28.62 2bx5 s GLN 90 CO -0.06 -0.10 1.54 0.77 0.50 0.00 0.00 175.29 177.93 2bx5 h SER 91 N 7.83 0.00 0.11 6.67 0.02 -1.66 -3.38 113.55 123.14 2bx5 h SER 91 Ca -0.38 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2bx5 h SER 91 Cb 1.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 2bx5 h SER 91 CO 0.60 0.12 -0.53 0.22 -1.14 0.00 0.00 176.83 176.09 2bx5 h TYR 92 N 0.00 -1.55 -4.10 3.45 3.20 -1.86 -3.44 116.97 112.66 2bx5 h TYR 92 Ca -0.00 0.04 -0.46 0.00 3.14 0.00 0.00 58.73 61.45 2bx5 h TYR 92 Cb 1.09 0.66 -0.26 0.00 1.54 0.00 0.00 36.73 39.76 2bx5 h TYR 92 CO 0.00 -0.60 -0.80 0.45 -1.64 0.00 0.00 178.16 175.57 2bx5 s SER 93 N -4.67 1.68 -0.03 -2.11 0.15 -1.26 -5.15 113.70 102.31 2bx5 s SER 93 Ca -0.16 -0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 2bx5 s SER 93 Cb 0.06 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2bx5 s SER 93 CO 0.61 0.09 0.22 0.42 1.20 0.00 0.00 173.24 175.78 2bx5 s THR 94 N -0.65 5.37 0.15 6.45 -4.23 -1.26 -3.82 115.64 117.64 2bx5 s THR 94 Ca 0.03 0.14 -0.34 0.00 -1.18 0.00 0.00 61.69 60.34 2bx5 s THR 94 Cb -0.07 -3.53 -0.16 0.00 1.34 0.00 0.00 72.50 70.09 2bx5 s THR 94 CO 0.01 0.43 1.25 -2.65 -0.54 0.00 0.00 174.62 173.11 2bx5 n PRO 95 N 1.34 1.24 -2.63 3.99 -0.02 -1.26 -4.20 135.00 133.45 2bx5 n PRO 95 Ca -0.14 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2bx5 n PRO 95 Cb 0.53 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2bx5 n PRO 95 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2bx5 s ASN 96 N 0.20 6.20 0.07 2.55 -0.87 -1.25 -4.64 114.94 117.20 2bx5 s ASN 96 Ca 0.77 -0.49 -0.19 0.00 -1.57 0.00 0.00 52.86 51.38 2bx5 s ASN 96 Cb -0.87 -2.52 -0.07 0.00 -0.02 0.00 0.00 41.25 37.77 2bx5 s ASN 96 CO 0.50 -1.69 0.56 0.42 -2.57 0.00 0.00 177.10 174.32 2bx5 s THR 97 N 5.22 4.75 0.50 1.60 -4.23 -1.26 -4.87 115.64 117.35 2bx5 s THR 97 Ca 0.33 1.20 0.08 0.00 -1.18 0.00 0.00 61.69 62.12 2bx5 s THR 97 Cb -0.10 -3.89 0.04 0.00 1.34 0.00 0.00 72.50 69.90 2bx5 s THR 97 CO 0.15 0.54 0.68 -0.36 -0.54 0.00 0.00 174.62 175.10 2bx5 s PHE 98 N -1.12 2.22 -0.05 3.99 0.40 -1.26 -2.74 117.98 119.41 2bx5 s PHE 98 Ca 0.29 -0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2bx5 s PHE 98 Cb -0.19 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 2bx5 s PHE 98 CO 0.19 -0.77 0.15 0.20 0.70 0.00 0.00 175.22 175.70 2bx5 s GLY 99 N -4.49 2.15 0.00 4.36 0.00 0.26 -4.59 107.32 105.01 2bx5 s GLY 99 Ca 0.58 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.62 2bx5 s GLY 99 CO 0.36 -0.56 0.76 0.61 0.00 0.00 0.00 173.10 174.27 2bx5 n GLN 100 N 1.36 0.13 0.00 2.90 10.64 -1.26 -4.62 117.38 126.52 2bx5 n GLN 100 Ca -0.14 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2bx5 n GLN 100 Cb 0.53 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 2bx5 n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2bx5 n GLY 101 N -0.75 -1.51 2.77 2.61 0.00 -1.26 -5.00 105.19 102.05 2bx5 n GLY 101 Ca 0.03 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 2bx5 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bx5 s THR 102 N -2.31 -0.38 -0.33 2.61 2.01 -0.55 -4.68 115.64 112.01 2bx5 s THR 102 Ca 0.00 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 2bx5 s THR 102 Cb 0.00 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 2bx5 s THR 102 CO 0.00 -0.29 1.53 -0.54 -0.69 0.00 0.00 174.62 174.63 2bx5 s LYS 103 N 2.36 3.62 -0.29 4.92 1.02 -1.24 -1.75 119.74 128.39 2bx5 s LYS 103 Ca 0.09 1.26 -0.08 0.00 0.02 0.00 0.00 55.97 57.25 2bx5 s LYS 103 Cb -0.15 -4.04 -0.00 0.00 -0.52 0.00 0.00 37.83 33.11 2bx5 s LYS 103 CO -0.20 -1.50 0.10 0.08 -0.92 0.00 0.00 175.35 172.91 2bx5 s VAL 104 N 5.55 4.25 0.05 3.17 1.01 -0.31 -0.86 120.40 133.26 2bx5 s VAL 104 Ca 0.67 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.24 2bx5 s VAL 104 Cb -0.19 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2bx5 s VAL 104 CO 0.31 0.13 -0.25 -1.83 0.00 0.00 0.00 175.10 173.45 2bx5 s GLU 105 N 1.56 1.67 0.00 2.72 1.03 0.64 -2.52 118.70 123.80 2bx5 s GLU 105 Ca 0.04 -1.08 0.19 0.00 0.03 0.00 0.00 54.97 54.16 2bx5 s GLU 105 Cb -0.17 -1.85 1.16 0.00 -0.80 0.00 0.00 34.13 32.48 2bx5 s GLU 105 CO 0.04 0.47 1.55 -0.89 -1.33 0.00 0.00 175.26 175.11