#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdx n PHE 2 N 0.00 -0.23 -4.12 3.10 -1.74 -1.26 -5.01 117.46 108.20 3bdx n PHE 2 Ca 0.00 -0.71 -0.14 0.00 -0.56 0.00 0.00 57.45 56.05 3bdx n PHE 2 Cb 0.00 -0.11 -0.11 0.00 1.52 0.00 0.00 39.48 40.78 3bdx n PHE 2 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3bdx s MET 3 N -2.57 0.68 -0.26 3.97 0.23 -1.26 -4.99 119.30 115.09 3bdx s MET 3 Ca 0.03 -0.95 -0.03 0.00 -1.03 0.00 0.00 55.69 53.71 3bdx s MET 3 Cb -0.00 -0.41 0.02 0.00 -1.53 0.00 0.00 34.83 32.91 3bdx s MET 3 CO 0.02 0.07 -0.02 -0.51 -2.03 0.00 0.00 175.02 172.54 3bdx s LEU 4 N -1.98 3.31 -0.15 0.18 1.43 -1.26 -1.48 118.68 118.73 3bdx s LEU 4 Ca -0.03 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 3bdx s LEU 4 Cb -0.06 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 3bdx s LEU 4 CO -0.00 -0.13 -0.09 -0.89 0.23 0.00 0.00 176.35 175.47 3bdx s THR 5 N 1.39 3.34 0.43 5.49 2.01 -0.71 -2.61 115.64 124.98 3bdx s THR 5 Ca 0.02 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.54 3bdx s THR 5 Cb -0.16 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 3bdx s THR 5 CO -0.03 0.50 0.41 -1.10 -0.69 0.00 0.00 174.62 173.72 3bdx s GLN 6 N 0.49 2.52 0.72 4.92 -0.21 -1.26 -1.04 119.66 125.80 3bdx s GLN 6 Ca -0.07 -1.56 -0.16 0.00 0.02 0.00 0.00 55.36 53.59 3bdx s GLN 6 Cb -0.15 -2.39 0.01 0.00 1.00 0.00 0.00 33.01 31.47 3bdx s GLN 6 CO 0.04 -0.27 1.00 0.43 -2.12 0.00 0.00 175.29 174.37 3bdx n SER 7 N -1.62 0.61 -4.86 5.90 7.64 -0.63 -4.96 113.62 115.71 3bdx n SER 7 Ca 0.04 0.67 -0.31 0.00 1.01 0.00 0.00 58.87 60.29 3bdx n SER 7 Cb 0.62 -1.42 0.04 0.00 -1.01 0.00 0.00 64.21 62.43 3bdx n SER 7 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3bdx s HIS 8 N -1.81 3.34 0.15 1.43 -3.43 -1.26 -4.56 115.29 109.16 3bdx s HIS 8 Ca 0.74 1.23 -0.23 0.00 -0.80 0.00 0.00 55.06 56.00 3bdx s HIS 8 Cb -0.34 -2.90 -0.14 0.00 -1.43 0.00 0.00 32.58 27.77 3bdx s HIS 8 CO 0.50 -1.07 0.43 0.43 -2.00 0.00 0.00 174.74 173.03 3bdx n SER 9 N -2.98 -0.96 -4.18 7.38 7.64 -1.26 -4.79 113.62 114.47 3bdx n SER 9 Ca 0.07 0.90 -0.21 0.00 1.01 0.00 0.00 58.87 60.64 3bdx n SER 9 Cb 0.55 -0.76 -0.13 0.00 -1.01 0.00 0.00 64.21 62.86 3bdx n SER 9 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3bdx s VAL 10 N -0.77 1.25 -0.00 0.44 1.01 0.49 -4.96 120.40 117.87 3bdx s VAL 10 Ca 0.52 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3bdx s VAL 10 Cb -0.75 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3bdx s VAL 10 CO 0.45 -0.04 -0.10 -0.44 0.00 0.00 0.00 175.10 174.96 3bdx s SER 11 N -1.40 1.23 0.29 3.32 0.01 -1.26 -1.58 113.70 114.30 3bdx s SER 11 Ca 0.02 -0.22 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 3bdx s SER 11 Cb -0.09 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.04 3bdx s SER 11 CO 0.02 0.11 0.74 -0.70 0.41 0.00 0.00 173.24 173.82 3bdx s GLU 12 N -0.35 1.83 0.16 12.44 2.56 -1.17 -5.00 118.70 129.17 3bdx s GLU 12 Ca 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 54.97 53.97 3bdx s GLU 12 Cb -0.04 0.61 -0.04 0.00 2.00 0.00 0.00 34.13 36.65 3bdx s GLU 12 CO -0.00 -0.84 0.32 -1.12 -0.56 0.00 0.00 175.26 173.06 3bdx s SER 13 N -2.94 6.37 0.64 -1.70 0.01 -1.26 -0.84 113.70 113.97 3bdx s SER 13 Ca 0.12 0.29 -0.18 0.00 1.31 0.00 0.00 55.95 57.49 3bdx s SER 13 Cb -0.06 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3bdx s SER 13 CO 0.07 0.03 1.00 -2.65 0.41 0.00 0.00 173.24 172.10 3bdx n PRO 14 N -0.49 0.82 0.00 12.44 -0.02 -1.26 -1.63 135.00 144.87 3bdx n PRO 14 Ca -0.06 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3bdx n PRO 14 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3bdx n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdx n GLY 15 N 1.22 2.58 3.40 -1.23 0.00 0.17 -4.87 105.19 106.46 3bdx n GLY 15 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3bdx n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bdx n LYS 16 N -1.97 -1.09 -4.94 1.61 3.00 -0.65 -4.27 118.16 109.85 3bdx n LYS 16 Ca 0.00 -1.84 -0.27 0.00 -0.00 0.00 0.00 58.31 56.19 3bdx n LYS 16 Cb 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 35.03 33.69 3bdx n LYS 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3bdx s THR 17 N -3.52 1.59 0.16 3.15 2.01 -1.26 -2.23 115.64 115.53 3bdx s THR 17 Ca 0.66 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.90 3bdx s THR 17 Cb -0.02 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 3bdx s THR 17 CO 0.46 0.45 -0.08 0.68 -0.69 0.00 0.00 174.62 175.44 3bdx s VAL 18 N 0.04 1.10 -0.03 3.82 -7.23 -0.93 -5.01 120.40 112.15 3bdx s VAL 18 Ca -0.05 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.06 3bdx s VAL 18 Cb -0.13 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.92 3bdx s VAL 18 CO 0.03 -0.68 0.06 -0.89 -0.31 0.00 0.00 175.10 173.31 3bdx s THR 19 N -3.37 -0.09 -0.15 5.32 2.01 -1.26 -1.60 115.64 116.50 3bdx s THR 19 Ca 0.19 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 3bdx s THR 19 Cb 0.03 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 3bdx s THR 19 CO 0.02 0.12 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.41 3bdx s ILE 20 N 1.54 3.99 0.31 1.82 1.01 -0.27 -4.96 121.20 124.62 3bdx s ILE 20 Ca -0.03 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.36 3bdx s ILE 20 Cb -0.12 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 3bdx s ILE 20 CO -0.03 0.50 0.25 -0.44 0.00 0.00 0.00 174.94 175.22 3bdx s SER 21 N 0.21 5.34 -0.25 3.58 0.01 -1.26 -1.34 113.70 119.99 3bdx s SER 21 Ca -0.02 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 3bdx s SER 21 Cb -0.14 -1.11 0.14 0.00 0.21 0.00 0.00 66.02 65.12 3bdx s SER 21 CO 0.03 -0.24 0.41 0.00 0.41 0.00 0.00 173.24 173.85 3bdx s THR 23 N 2.60 4.38 -0.16 0.00 2.01 -0.21 0.22 115.64 124.48 3bdx s THR 23 Ca 0.14 -0.37 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 3bdx s THR 23 Cb -0.15 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 3bdx s THR 23 CO -0.16 0.49 0.53 -0.60 -0.69 0.00 0.00 174.62 174.19 3bdx s ARG 24 N -1.24 4.26 0.15 4.92 3.52 -0.78 -1.74 118.95 128.04 3bdx s ARG 24 Ca 0.17 0.49 -0.17 0.00 -0.13 0.00 0.00 55.73 56.09 3bdx s ARG 24 Cb -0.12 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.79 3bdx s ARG 24 CO 0.07 -0.05 1.78 0.66 -0.81 0.00 0.00 175.30 176.95 3bdx h SER 25 N 7.17 0.28 -5.18 -2.12 4.64 -1.60 -3.46 113.55 113.29 3bdx h SER 25 Ca -0.36 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.88 3bdx h SER 25 Cb 1.16 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 3bdx h SER 25 CO 0.75 0.21 -0.38 -0.94 -0.87 0.00 0.00 176.83 175.60 3bdx s SER 26 N -5.44 0.12 0.00 4.97 1.04 -1.26 -5.00 113.70 108.13 3bdx s SER 26 Ca -0.13 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3bdx s SER 26 Cb 0.11 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3bdx s SER 26 CO 0.71 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.80 3bdx n GLY 27 N -0.08 -1.59 3.69 7.32 0.00 -1.26 -4.86 105.19 108.41 3bdx n GLY 27 Ca -0.14 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3bdx n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bdx s SER 28 N -3.38 6.96 0.54 1.61 0.15 -1.26 -4.94 113.70 113.38 3bdx s SER 28 Ca 0.00 1.17 0.29 0.00 0.70 0.00 0.00 55.95 58.11 3bdx s SER 28 Cb 0.00 -2.43 1.46 0.00 -1.71 0.00 0.00 66.02 63.33 3bdx s SER 28 CO 0.00 -0.28 1.92 -0.29 1.20 0.00 0.00 173.24 175.80 3bdx h ILE 29 N 5.02 0.58 -0.35 6.45 6.09 -1.90 -0.59 117.51 132.82 3bdx h ILE 29 Ca -0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3bdx h ILE 29 Cb 1.16 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.07 3bdx h ILE 29 CO 0.79 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.87 3bdx n ALA 30 N -2.64 2.93 0.11 0.18 0.00 -1.26 -3.80 120.51 116.04 3bdx n ALA 30 Ca 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 53.44 52.69 3bdx n ALA 30 Cb 0.81 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 3bdx n ALA 30 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3bdx h SER 31 N 2.25 0.00 -4.76 0.00 0.02 -1.51 -3.46 113.55 106.09 3bdx h SER 31 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3bdx h SER 31 Cb 1.00 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.33 3bdx h SER 31 CO 0.16 0.52 -0.44 0.20 -1.14 0.00 0.00 176.83 176.14 3bdx s ASN 32 N -6.28 -0.07 0.67 3.07 -0.87 -1.25 -5.08 114.94 105.14 3bdx s ASN 32 Ca 0.02 -0.02 -0.17 0.00 -1.57 0.00 0.00 52.86 51.12 3bdx s ASN 32 Cb 0.08 0.27 -0.01 0.00 -0.02 0.00 0.00 41.25 41.57 3bdx s ASN 32 CO 0.76 -0.33 1.11 -1.22 -2.57 0.00 0.00 177.10 174.85 3bdx n TYR 33 N 1.69 1.23 -4.97 2.20 4.01 -1.26 -4.79 117.16 115.27 3bdx n TYR 33 Ca -0.21 0.42 -0.32 0.00 -0.16 0.00 0.00 57.90 57.62 3bdx n TYR 33 Cb 0.56 -2.17 -0.15 0.00 -0.31 0.00 0.00 39.34 37.27 3bdx n TYR 33 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3bdx s VAL 34 N -1.59 2.65 0.19 -0.72 1.01 -1.26 -4.14 120.40 116.54 3bdx s VAL 34 Ca 0.78 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 62.03 3bdx s VAL 34 Cb -0.37 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3bdx s VAL 34 CO 0.45 0.54 -0.09 -1.10 0.00 0.00 0.00 175.10 174.90 3bdx s GLN 35 N 0.23 2.06 -0.02 2.72 1.11 0.14 -1.76 119.66 124.14 3bdx s GLN 35 Ca -0.11 -1.29 0.05 0.00 0.01 0.00 0.00 55.36 54.02 3bdx s GLN 35 Cb -0.16 -2.15 -0.01 0.00 -1.01 0.00 0.00 33.01 29.68 3bdx s GLN 35 CO 0.06 0.43 -0.17 -1.58 0.01 0.00 0.00 175.29 174.04 3bdx s TRP 36 N -1.75 1.57 0.01 0.91 0.52 0.62 -0.19 118.94 120.63 3bdx s TRP 36 Ca 0.25 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 56.10 3bdx s TRP 36 Cb -0.09 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.20 3bdx s TRP 36 CO 0.15 -0.05 -0.16 0.71 0.02 0.00 0.00 176.95 177.63 3bdx s TYR 37 N -0.33 1.38 -0.16 -1.98 2.02 -0.09 -1.69 117.35 116.50 3bdx s TYR 37 Ca 0.05 -0.30 -0.06 0.00 -0.37 0.00 0.00 57.07 56.39 3bdx s TYR 37 Cb -0.07 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 3bdx s TYR 37 CO -0.00 0.01 0.03 -1.14 -1.57 0.00 0.00 175.55 172.88 3bdx s GLN 38 N -0.71 3.79 -0.35 -0.62 0.74 0.62 -1.88 119.66 121.25 3bdx s GLN 38 Ca 0.05 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.08 3bdx s GLN 38 Cb -0.07 -3.09 0.11 0.00 1.10 0.00 0.00 33.01 31.06 3bdx s GLN 38 CO 0.00 0.33 0.12 -1.14 -0.55 0.00 0.00 175.29 174.05 3bdx s GLN 39 N 0.19 1.06 0.71 1.67 0.74 0.12 -1.75 119.66 122.40 3bdx s GLN 39 Ca 0.02 -1.52 -0.11 0.00 0.05 0.00 0.00 55.36 53.80 3bdx s GLN 39 Cb -0.13 -2.40 0.02 0.00 1.10 0.00 0.00 33.01 31.60 3bdx s GLN 39 CO 0.01 -1.02 1.07 1.03 -0.55 0.00 0.00 175.29 175.83 3bdx s ARG 40 N 1.10 2.81 0.11 1.67 0.52 -1.26 -1.18 118.95 122.72 3bdx s ARG 40 Ca 0.12 1.02 -0.35 0.00 -0.52 0.00 0.00 55.73 56.00 3bdx s ARG 40 Cb -0.20 -1.97 -0.17 0.00 0.52 0.00 0.00 34.95 33.13 3bdx s ARG 40 CO -0.15 -1.20 1.05 -2.30 0.02 0.00 0.00 175.30 172.72 3bdx n PRO 41 N -3.15 0.61 -3.95 3.54 -0.02 -1.26 -1.48 135.00 129.28 3bdx n PRO 41 Ca 0.08 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 3bdx n PRO 41 Cb 0.53 -1.65 -0.02 0.00 -0.02 0.00 0.00 33.50 32.34 3bdx n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdx n GLY 42 N 1.91 -0.46 3.32 -1.23 0.00 -1.26 -4.94 105.19 102.53 3bdx n GLY 42 Ca 0.17 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 3bdx n GLY 42 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bdx s SER 43 N -3.09 1.27 0.23 1.61 0.15 -0.55 -5.16 113.70 108.16 3bdx s SER 43 Ca 0.64 -1.38 -0.02 0.00 0.70 0.00 0.00 55.95 55.89 3bdx s SER 43 Cb -0.35 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 3bdx s SER 43 CO 0.79 -0.72 0.45 -0.94 1.20 0.00 0.00 173.24 174.01 3bdx s SER 44 N -3.32 6.41 0.19 5.45 1.04 -1.26 -4.68 113.70 117.53 3bdx s SER 44 Ca 0.38 0.51 -0.32 0.00 0.48 0.00 0.00 55.95 57.00 3bdx s SER 44 Cb 0.08 -2.06 -0.12 0.00 0.10 0.00 0.00 66.02 64.03 3bdx s SER 44 CO 0.14 -0.09 1.72 -2.84 0.98 0.00 0.00 173.24 173.14 3bdx s PRO 45 N -3.38 4.14 0.03 4.02 0.02 -1.26 -4.70 135.00 133.86 3bdx s PRO 45 Ca 0.40 2.58 0.06 0.00 0.02 0.00 0.00 61.00 64.07 3bdx s PRO 45 Cb -0.11 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3bdx s PRO 45 CO 0.29 -0.75 -0.18 0.95 -0.33 0.00 0.00 177.00 176.98 3bdx s THR 46 N 1.36 1.47 0.11 0.99 -4.23 -0.72 -4.94 115.64 109.69 3bdx s THR 46 Ca 0.75 -1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 3bdx s THR 46 Cb -0.49 -1.28 -0.06 0.00 1.34 0.00 0.00 72.50 72.00 3bdx s THR 46 CO 0.32 0.18 1.16 -0.89 -0.54 0.00 0.00 174.62 174.86 3bdx s THR 47 N -0.75 3.94 -0.04 3.99 2.01 -1.26 -0.28 115.64 123.26 3bdx s THR 47 Ca 0.06 1.50 0.06 0.00 0.31 0.00 0.00 61.69 63.62 3bdx s THR 47 Cb -0.08 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 3bdx s THR 47 CO 0.01 0.18 0.09 1.33 -0.69 0.00 0.00 174.62 175.54 3bdx n VAL 48 N 3.27 0.21 -3.71 3.82 0.24 -0.68 -4.79 118.33 116.69 3bdx n VAL 48 Ca 0.06 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 3bdx n VAL 48 Cb 0.46 -0.21 -0.10 0.00 -1.47 0.00 0.00 33.84 32.53 3bdx n VAL 48 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3bdx s ILE 49 N -2.33 -0.01 0.13 1.34 1.09 -1.19 -4.40 121.20 115.82 3bdx s ILE 49 Ca -0.03 0.03 0.01 0.00 -1.10 0.00 0.00 60.65 59.56 3bdx s ILE 49 Cb 0.03 -0.65 -0.04 0.00 -1.06 0.00 0.00 42.46 40.74 3bdx s ILE 49 CO 0.28 0.01 -0.00 -0.72 -0.10 0.00 0.00 174.94 174.41 3bdx s TYR 50 N 0.69 0.94 -1.23 3.97 -0.85 -0.05 -0.28 117.35 120.55 3bdx s TYR 50 Ca -0.04 -1.06 -0.20 0.00 -0.52 0.00 0.00 57.07 55.25 3bdx s TYR 50 Cb -0.05 -0.55 0.01 0.00 0.38 0.00 0.00 41.96 41.75 3bdx s TYR 50 CO -0.05 -0.30 0.66 0.39 -1.52 0.00 0.00 175.55 174.73 3bdx n GLU 51 N -0.10 -1.32 0.00 -3.49 1.02 -1.24 -0.68 120.64 114.82 3bdx n GLU 51 Ca -0.09 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3bdx n GLU 51 Cb 0.62 -3.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.31 3bdx n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3bdx n ASP 52 N -2.60 0.00 -0.10 1.62 8.00 -0.72 -3.61 116.55 119.14 3bdx n ASP 52 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3bdx n ASP 52 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3bdx n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3bdx n ASN 53 N 0.36 0.00 -4.69 -2.24 0.23 -1.17 -3.66 115.26 104.09 3bdx n ASN 53 Ca 0.00 -1.18 -0.40 0.00 -0.53 0.00 0.00 54.58 52.47 3bdx n ASN 53 Cb 0.00 -0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 37.61 3bdx n ASN 53 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3bdx s GLN 54 N 0.00 4.31 -0.15 -3.83 -1.52 0.14 -4.53 119.66 114.09 3bdx s GLN 54 Ca 0.00 0.77 -0.16 0.00 -1.95 0.00 0.00 55.36 54.02 3bdx s GLN 54 Cb 0.00 -3.52 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 3bdx s GLN 54 CO 0.00 -0.13 0.41 1.03 -0.25 0.00 0.00 175.29 176.35 3bdx s ARG 55 N 1.49 4.29 0.64 2.91 0.52 -1.26 -0.87 118.95 126.67 3bdx s ARG 55 Ca 0.33 0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 55.70 3bdx s ARG 55 Cb -0.17 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.84 3bdx s ARG 55 CO 0.13 0.14 1.08 -1.25 0.02 0.00 0.00 175.30 175.43 3bdx s PRO 56 N 0.71 3.00 0.21 3.54 0.04 -1.26 -4.92 135.00 136.31 3bdx s PRO 56 Ca 0.22 1.26 -0.32 0.00 0.04 0.00 0.00 61.00 62.19 3bdx s PRO 56 Cb -0.14 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 3bdx s PRO 56 CO 0.08 -1.08 1.61 -1.13 0.04 0.00 0.00 177.00 176.52 3bdx n SER 57 N -2.39 3.46 0.00 6.66 3.41 -1.26 -1.79 113.62 121.71 3bdx n SER 57 Ca 0.09 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 3bdx n SER 57 Cb 0.53 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 3bdx n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bdx n GLY 58 N 3.25 2.29 3.65 5.00 0.00 -1.26 -5.05 105.19 113.06 3bdx n GLY 58 Ca 0.15 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3bdx n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdx s VAL 59 N -0.92 4.57 0.82 1.61 1.01 -0.74 -5.00 120.40 121.75 3bdx s VAL 59 Ca 0.00 1.85 -0.13 0.00 0.00 0.00 0.00 61.98 63.69 3bdx s VAL 59 Cb 0.00 -4.37 0.07 0.00 0.00 0.00 0.00 36.38 32.08 3bdx s VAL 59 CO 0.00 -0.36 1.09 -0.81 0.00 0.00 0.00 175.10 175.02 3bdx n PRO 60 N 6.66 0.13 0.00 2.72 -0.04 -1.26 -4.81 135.00 138.40 3bdx n PRO 60 Ca 0.12 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3bdx n PRO 60 Cb 0.47 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 3bdx n PRO 60 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3bdx n ASP 61 N -2.95 0.43 0.20 3.54 5.75 -1.26 -2.71 116.55 119.56 3bdx n ASP 61 Ca 0.13 -1.38 0.10 0.00 -0.01 0.00 0.00 54.79 53.63 3bdx n ASP 61 Cb 0.51 -0.21 0.14 0.00 -1.03 0.00 0.00 41.12 40.52 3bdx n ASP 61 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3bdx h ARG 62 N 0.19 0.00 -5.52 0.11 3.08 -1.89 -3.43 114.38 106.92 3bdx h ARG 62 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3bdx h ARG 62 Cb 0.21 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.17 3bdx h ARG 62 CO 0.00 0.10 -0.36 -0.06 -1.07 0.00 0.00 179.97 178.58 3bdx s PHE 63 N -3.16 3.50 -0.02 3.04 0.40 -1.10 -0.64 117.98 120.00 3bdx s PHE 63 Ca 0.06 0.58 -0.00 0.00 -0.60 0.00 0.00 56.93 56.97 3bdx s PHE 63 Cb 0.06 -2.25 0.02 0.00 0.51 0.00 0.00 43.02 41.36 3bdx s PHE 63 CO 0.69 0.35 0.03 -1.54 0.70 0.00 0.00 175.22 175.45 3bdx s SER 64 N 0.11 0.04 0.03 1.36 1.04 -0.13 -4.97 113.70 111.18 3bdx s SER 64 Ca 0.15 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.65 3bdx s SER 64 Cb -0.13 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3bdx s SER 64 CO 0.04 -0.10 0.06 -0.83 0.98 0.00 0.00 173.24 173.39 3bdx s GLY 65 N 0.83 1.98 0.11 7.32 0.00 -1.26 -1.03 107.32 115.28 3bdx s GLY 65 Ca -0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.57 3bdx s GLY 65 CO -0.02 -0.87 0.32 -1.35 0.00 0.00 0.00 173.10 171.17 3bdx s SER 66 N -1.97 -0.10 0.01 1.64 1.04 -0.85 -4.52 113.70 108.96 3bdx s SER 66 Ca 0.25 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.27 3bdx s SER 66 Cb -0.12 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 3bdx s SER 66 CO 0.16 -0.81 -0.14 -0.63 0.98 0.00 0.00 173.24 172.80 3bdx s ILE 67 N -3.83 1.14 -0.27 -1.02 -1.09 -1.26 -1.01 121.20 113.86 3bdx s ILE 67 Ca 0.04 -0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 57.65 3bdx s ILE 67 Cb 0.03 -0.99 0.08 0.00 -1.58 0.00 0.00 42.46 40.01 3bdx s ILE 67 CO -0.11 0.18 0.06 -0.62 -1.23 0.00 0.00 174.94 173.21 3bdx s ASP 68 N -0.71 3.71 0.33 3.58 2.15 -0.76 -5.01 116.67 119.96 3bdx s ASP 68 Ca 0.04 -1.36 0.09 0.00 0.43 0.00 0.00 52.55 51.75 3bdx s ASP 68 Cb -0.07 -0.84 0.57 0.00 -0.30 0.00 0.00 42.92 42.28 3bdx s ASP 68 CO 0.00 -0.36 1.76 0.28 -0.17 0.00 0.00 175.17 176.68 3bdx h SER 69 N 8.11 0.14 -0.03 -0.34 0.02 -1.95 0.73 113.55 120.24 3bdx h SER 69 Ca -0.15 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 3bdx h SER 69 Cb 1.05 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3bdx h SER 69 CO 0.43 0.52 -0.13 0.77 -1.14 0.00 0.00 176.83 177.28 3bdx h SER 70 N 0.12 0.30 0.23 3.07 4.64 -1.95 -2.32 113.55 117.63 3bdx h SER 70 Ca 0.01 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3bdx h SER 70 Cb 0.74 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3bdx h SER 70 CO 0.06 0.46 -0.93 -1.20 -0.87 0.00 0.00 176.83 174.35 3bdx n SER 71 N -4.25 0.73 -2.12 4.97 7.64 -1.09 -4.95 113.62 114.55 3bdx n SER 71 Ca -0.00 -0.58 -0.18 0.00 1.01 0.00 0.00 58.87 59.12 3bdx n SER 71 Cb 0.29 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 3bdx n SER 71 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3bdx n ASN 72 N -1.64 -5.19 -4.78 6.43 5.15 0.17 -4.82 115.26 110.58 3bdx n ASN 72 Ca 0.03 -0.07 -0.30 0.00 -0.60 0.00 0.00 54.58 53.65 3bdx n ASN 72 Cb 0.37 -4.22 -0.06 0.00 -0.53 0.00 0.00 39.78 35.33 3bdx n ASN 72 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3bdx s SER 73 N -2.33 4.24 0.04 1.20 1.04 -0.70 -1.86 113.70 115.34 3bdx s SER 73 Ca 0.06 -1.49 0.02 0.00 0.48 0.00 0.00 55.95 55.01 3bdx s SER 73 Cb -0.02 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 3bdx s SER 73 CO 0.07 -0.84 -0.07 0.00 0.98 0.00 0.00 173.24 173.38 3bdx s ALA 74 N -2.81 0.53 0.01 5.32 0.00 0.13 -1.83 121.76 123.12 3bdx s ALA 74 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3bdx s ALA 74 Cb 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3bdx s ALA 74 CO 0.10 -0.08 -0.03 -1.12 0.00 0.00 0.00 175.76 174.63 3bdx s SER 75 N -1.77 0.25 -0.15 0.00 0.01 -0.18 -1.02 113.70 110.84 3bdx s SER 75 Ca -0.08 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.93 3bdx s SER 75 Cb -0.08 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.19 3bdx s SER 75 CO -0.01 -0.13 -0.18 -0.22 0.41 0.00 0.00 173.24 173.11 3bdx s LEU 76 N -0.74 2.29 -0.15 2.44 2.96 -0.45 -2.01 118.68 123.03 3bdx s LEU 76 Ca -0.07 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 3bdx s LEU 76 Cb -0.05 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 3bdx s LEU 76 CO -0.00 0.07 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.10 3bdx s THR 77 N 0.87 3.19 -0.33 3.68 2.01 -0.19 -1.12 115.64 123.75 3bdx s THR 77 Ca -0.05 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3bdx s THR 77 Cb -0.15 -2.36 0.09 0.00 0.01 0.00 0.00 72.50 70.08 3bdx s THR 77 CO -0.02 0.51 0.04 -0.63 -0.69 0.00 0.00 174.62 173.83 3bdx s ILE 78 N 0.50 2.55 0.08 1.82 1.01 -0.63 -0.95 121.20 125.59 3bdx s ILE 78 Ca -0.08 -2.02 -0.06 0.00 0.00 0.00 0.00 60.65 58.50 3bdx s ILE 78 Cb -0.15 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 3bdx s ILE 78 CO 0.04 -0.44 0.33 -0.94 0.00 0.00 0.00 174.94 173.93 3bdx s SER 79 N 1.17 6.50 -0.45 3.58 1.04 0.19 -2.20 113.70 123.53 3bdx s SER 79 Ca 0.04 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.05 3bdx s SER 79 Cb -0.20 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.83 3bdx s SER 79 CO -0.06 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.92 3bdx n GLY 80 N 0.54 0.22 1.79 7.32 0.00 -1.08 -4.69 105.19 109.30 3bdx n GLY 80 Ca -0.06 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3bdx n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bdx n LEU 81 N -0.73 -0.04 -4.52 0.99 4.77 -0.95 -4.18 117.00 112.35 3bdx n LEU 81 Ca -0.06 0.60 -0.25 0.00 -0.03 0.00 0.00 56.01 56.27 3bdx n LEU 81 Cb 0.51 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3bdx n LEU 81 CO 0.07 -1.01 -0.34 -0.54 -1.33 0.00 0.00 177.39 174.24 3bdx s LYS 82 N -0.03 1.77 0.31 3.23 1.02 -1.26 0.42 119.74 125.20 3bdx s LYS 82 Ca 0.46 -1.95 0.13 0.00 0.02 0.00 0.00 55.97 54.64 3bdx s LYS 82 Cb -0.64 -1.44 0.46 0.00 -0.52 0.00 0.00 37.83 35.69 3bdx s LYS 82 CO 0.29 0.02 1.65 1.79 -0.92 0.00 0.00 175.35 178.18 3bdx h THR 83 N 2.03 1.24 0.00 2.17 1.35 -1.93 -2.71 112.91 115.06 3bdx h THR 83 Ca -0.42 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 3bdx h THR 83 Cb 1.24 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3bdx h THR 83 CO 0.73 0.52 0.00 -1.84 -0.25 0.00 0.00 175.52 174.68 3bdx n GLU 84 N -3.70 0.02 0.00 4.72 0.28 -1.26 -1.71 120.64 118.99 3bdx n GLU 84 Ca -0.01 0.29 0.15 0.00 -0.16 0.00 0.00 57.16 57.43 3bdx n GLU 84 Cb 0.58 -1.53 0.71 0.00 1.43 0.00 0.00 31.44 32.63 3bdx n GLU 84 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3bdx n ASP 85 N -1.57 0.01 -4.66 -1.84 8.00 -1.02 -4.81 116.55 110.66 3bdx n ASP 85 Ca 0.03 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 3bdx n ASP 85 Cb 0.16 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 3bdx n ASP 85 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3bdx s GLU 86 N -2.70 4.17 -0.01 -1.24 2.12 -0.69 -4.88 118.70 115.46 3bdx s GLU 86 Ca 0.24 2.32 -0.28 0.00 0.36 0.00 0.00 54.97 57.61 3bdx s GLU 86 Cb 0.20 -4.03 0.10 0.00 0.26 0.00 0.00 34.13 30.66 3bdx s GLU 86 CO 0.48 -0.87 1.28 0.00 -0.54 0.00 0.00 175.26 175.61 3bdx s ALA 87 N 4.11 -2.43 -0.11 6.30 0.00 -0.98 -4.62 121.76 124.03 3bdx s ALA 87 Ca 0.78 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 3bdx s ALA 87 Cb -0.36 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 3bdx s ALA 87 CO 0.33 -1.14 0.23 -0.51 0.00 0.00 0.00 175.76 174.68 3bdx s ASP 88 N -3.73 6.48 -0.10 0.00 1.01 -0.32 -1.53 116.67 118.49 3bdx s ASP 88 Ca 0.28 0.57 0.02 0.00 0.71 0.00 0.00 52.55 54.13 3bdx s ASP 88 Cb -0.00 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 3bdx s ASP 88 CO -0.01 0.31 -0.16 -0.31 0.21 0.00 0.00 175.17 175.21 3bdx s TYR 89 N -0.63 2.71 -0.06 4.23 1.51 -0.26 -0.70 117.35 124.15 3bdx s TYR 89 Ca 0.17 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 3bdx s TYR 89 Cb -0.13 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 3bdx s TYR 89 CO 0.06 -0.13 -0.18 0.71 -1.11 0.00 0.00 175.55 174.90 3bdx s TYR 90 N -0.00 1.85 0.27 2.71 2.02 -0.79 -0.15 117.35 123.26 3bdx s TYR 90 Ca -0.05 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3bdx s TYR 90 Cb -0.14 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3bdx s TYR 90 CO 0.04 -0.25 0.44 0.00 -1.57 0.00 0.00 175.55 174.21 3bdx s GLN 92 N -3.95 0.89 0.00 0.00 -0.44 0.73 -1.21 119.66 115.67 3bdx s GLN 92 Ca 0.38 -0.02 0.00 0.00 -2.50 0.00 0.00 55.36 53.22 3bdx s GLN 92 Cb -0.10 0.41 0.00 0.00 -1.64 0.00 0.00 33.01 31.68 3bdx s GLN 92 CO 0.32 -0.27 0.00 0.45 0.50 0.00 0.00 175.29 176.28 3bdx n SER 93 N 0.98 0.00 -4.32 6.67 2.88 -0.74 0.25 113.62 119.33 3bdx n SER 93 Ca -0.20 -0.83 -0.20 0.00 -1.33 0.00 0.00 58.87 56.31 3bdx n SER 93 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 3bdx n SER 93 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3bdx s TYR 94 N -5.77 1.72 0.08 0.66 2.02 -1.26 -1.38 117.35 113.43 3bdx s TYR 94 Ca 0.00 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 3bdx s TYR 94 Cb 0.00 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.73 3bdx s TYR 94 CO 0.00 0.31 0.10 -0.40 -1.57 0.00 0.00 175.55 173.99 3bdx n ASP 95 N 0.09 0.66 -0.13 2.29 5.75 -0.88 -4.73 116.55 119.60 3bdx n ASP 95 Ca -0.12 -1.24 -0.07 0.00 -0.01 0.00 0.00 54.79 53.35 3bdx n ASP 95 Cb 0.58 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.62 3bdx n ASP 95 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3bdx h SER 96 N 0.05 -1.08 0.00 -1.12 0.02 -2.00 -0.22 113.55 109.20 3bdx h SER 96 Ca -0.04 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3bdx h SER 96 Cb 0.18 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3bdx h SER 96 CO 0.07 -0.31 0.00 -1.20 -1.14 0.00 0.00 176.83 174.24 3bdx n SER 97 N -5.42 0.00 -0.11 3.07 7.64 -1.26 -4.84 113.62 112.70 3bdx n SER 97 Ca 0.02 -0.98 -0.01 0.00 1.01 0.00 0.00 58.87 58.90 3bdx n SER 97 Cb 0.34 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 3bdx n SER 97 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3bdx n ASN 98 N -0.87 -3.15 -4.83 6.43 5.03 -0.09 -5.03 115.26 112.74 3bdx n ASN 98 Ca 0.14 0.03 -0.37 0.00 0.87 0.00 0.00 54.58 55.25 3bdx n ASN 98 Cb 0.06 -0.79 -0.06 0.00 -1.02 0.00 0.00 39.78 37.98 3bdx n ASN 98 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3bdx s HIS 99 N -2.05 3.72 0.44 3.10 3.76 -1.26 -4.76 115.29 118.23 3bdx s HIS 99 Ca 0.00 1.12 -0.25 0.00 -0.15 0.00 0.00 55.06 55.78 3bdx s HIS 99 Cb 0.00 -2.39 -0.08 0.00 1.11 0.00 0.00 32.58 31.22 3bdx s HIS 99 CO 0.00 0.55 1.31 0.08 -0.85 0.00 0.00 174.74 175.84 3bdx s VAL 100 N -1.22 2.52 -0.04 -0.90 1.01 -1.26 -2.06 120.40 118.44 3bdx s VAL 100 Ca 0.30 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3bdx s VAL 100 Cb -0.17 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.98 3bdx s VAL 100 CO 0.18 0.05 -0.04 -0.69 0.00 0.00 0.00 175.10 174.59 3bdx s VAL 101 N -1.29 0.51 0.04 2.92 1.01 -0.48 -4.92 120.40 118.19 3bdx s VAL 101 Ca 0.60 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.51 3bdx s VAL 101 Cb -0.38 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3bdx s VAL 101 CO 0.48 0.22 -0.07 -0.36 0.00 0.00 0.00 175.10 175.37 3bdx s PHE 102 N 0.90 2.86 0.78 5.22 0.40 -1.26 -1.80 117.98 125.08 3bdx s PHE 102 Ca -0.11 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 3bdx s PHE 102 Cb -0.14 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 41.91 3bdx s PHE 102 CO 0.00 0.40 1.15 0.20 0.70 0.00 0.00 175.22 177.67 3bdx s GLY 103 N -1.76 1.60 0.33 4.36 0.00 -0.35 -4.41 107.32 107.09 3bdx s GLY 103 Ca 0.19 -0.63 0.26 0.00 0.00 0.00 0.00 44.72 44.54 3bdx s GLY 103 CO 0.11 -0.17 1.77 -1.33 0.00 0.00 0.00 173.10 173.48 3bdx h GLY 104 N -0.95 0.00 0.00 0.20 0.00 -1.84 -3.44 103.07 97.03 3bdx h GLY 104 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3bdx h GLY 104 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 3bdx n GLY 105 N -0.18 1.60 2.75 4.60 0.00 -1.26 -5.04 105.19 107.66 3bdx n GLY 105 Ca 0.01 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 3bdx n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdx s THR 106 N -2.76 0.37 -0.23 2.61 2.01 0.78 -4.73 115.64 113.68 3bdx s THR 106 Ca 0.00 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 3bdx s THR 106 Cb 0.00 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.88 3bdx s THR 106 CO 0.00 0.13 1.10 -0.75 -0.69 0.00 0.00 174.62 174.41 3bdx s LYS 107 N 1.96 4.21 -0.24 4.92 2.47 -1.26 -1.10 119.74 130.70 3bdx s LYS 107 Ca 0.04 1.38 -0.02 0.00 -1.56 0.00 0.00 55.97 55.80 3bdx s LYS 107 Cb -0.13 -3.69 0.02 0.00 -1.46 0.00 0.00 37.83 32.56 3bdx s LYS 107 CO -0.06 -0.71 -0.06 -1.17 0.16 0.00 0.00 175.35 173.51 3bdx s LEU 108 N 3.38 3.13 -0.15 5.43 2.96 -0.58 -0.38 118.68 132.47 3bdx s LEU 108 Ca 0.47 -0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3bdx s LEU 108 Cb -0.16 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3bdx s LEU 108 CO 0.10 -0.11 -0.08 0.42 -1.32 0.00 0.00 176.35 175.36 3bdx s THR 109 N 1.36 3.44 -0.46 3.68 -4.23 -0.61 -2.33 115.64 116.49 3bdx s THR 109 Ca 0.01 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 59.82 3bdx s THR 109 Cb -0.16 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.23 3bdx s THR 109 CO -0.04 0.50 0.54 -0.69 -0.54 0.00 0.00 174.62 174.39 3bdx s VAL 110 N 0.46 4.97 -0.86 2.29 1.01 -1.26 -3.03 120.40 123.98 3bdx s VAL 110 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3bdx s VAL 110 Cb -0.15 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3bdx s VAL 110 CO 0.04 -0.59 0.22 0.18 0.00 0.00 0.00 175.10 174.94