#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdx s PHE 2 N 0.00 0.63 0.18 3.10 -0.71 -1.26 -4.94 117.98 114.97 3bdx s PHE 2 Ca 0.00 -0.94 0.08 0.00 -1.04 0.00 0.00 56.93 55.03 3bdx s PHE 2 Cb 0.00 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 3bdx s PHE 2 CO 0.00 -0.85 -0.06 -1.64 -1.34 0.00 0.00 175.22 171.33 3bdx s MET 3 N -4.06 2.17 -0.21 1.99 -1.94 -1.26 -4.97 119.30 111.02 3bdx s MET 3 Ca 0.27 -1.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.06 3bdx s MET 3 Cb 0.02 -2.23 0.03 0.00 2.01 0.00 0.00 34.83 34.67 3bdx s MET 3 CO 0.09 0.44 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.87 3bdx s LEU 4 N -2.85 2.58 -0.26 -0.03 1.43 -1.26 -1.22 118.68 117.08 3bdx s LEU 4 Ca 0.26 -0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3bdx s LEU 4 Cb -0.09 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3bdx s LEU 4 CO 0.16 -0.07 0.12 -0.89 0.23 0.00 0.00 176.35 175.90 3bdx s THR 5 N 1.23 4.77 0.05 5.49 2.01 0.27 -3.66 115.64 125.80 3bdx s THR 5 Ca -0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3bdx s THR 5 Cb -0.16 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3bdx s THR 5 CO -0.10 0.30 0.04 0.00 -0.69 0.00 0.00 174.62 174.17 3bdx n GLN 6 N 4.93 1.40 -3.63 4.92 6.02 -1.26 0.18 117.38 129.94 3bdx n GLN 6 Ca -0.15 -0.28 -0.37 0.00 -0.01 0.00 0.00 57.00 56.18 3bdx n GLN 6 Cb 0.52 0.03 -0.07 0.00 1.02 0.00 0.00 30.24 31.74 3bdx n GLN 6 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3bdx s SER 7 N -1.27 6.49 0.24 1.08 0.01 -1.24 -4.97 113.70 114.05 3bdx s SER 7 Ca 0.03 0.58 -0.04 0.00 1.31 0.00 0.00 55.95 57.83 3bdx s SER 7 Cb -0.00 -2.16 0.39 0.00 0.21 0.00 0.00 66.02 64.46 3bdx s SER 7 CO 0.02 0.24 1.81 0.45 0.41 0.00 0.00 173.24 176.17 3bdx h HIS 8 N 5.76 0.87 -2.21 2.43 3.86 -1.96 -3.35 115.15 120.54 3bdx h HIS 8 Ca -0.47 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.80 3bdx h HIS 8 Cb 1.19 -0.27 -0.17 0.00 1.06 0.00 0.00 27.41 29.23 3bdx h HIS 8 CO 0.67 0.36 0.37 -1.54 0.86 0.00 0.00 177.93 178.64 3bdx s SER 9 N -5.62 -0.49 -0.05 2.45 1.04 -1.26 -2.74 113.70 107.03 3bdx s SER 9 Ca -0.12 0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 3bdx s SER 9 Cb 0.19 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3bdx s SER 9 CO 0.78 -0.63 0.12 -0.69 0.98 0.00 0.00 173.24 173.79 3bdx s VAL 10 N -2.34 -0.04 0.24 5.02 1.01 0.33 -4.92 120.40 119.70 3bdx s VAL 10 Ca -0.01 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.21 3bdx s VAL 10 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3bdx s VAL 10 CO -0.03 0.06 0.03 -0.44 0.00 0.00 0.00 175.10 174.73 3bdx s SER 11 N 0.97 4.77 -0.17 3.32 0.01 -1.26 0.10 113.70 121.44 3bdx s SER 11 Ca -0.08 -0.52 -0.33 0.00 1.31 0.00 0.00 55.95 56.33 3bdx s SER 11 Cb -0.10 -0.98 0.14 0.00 0.21 0.00 0.00 66.02 65.29 3bdx s SER 11 CO -0.04 0.01 1.15 -0.70 0.41 0.00 0.00 173.24 174.07 3bdx s GLU 12 N -3.56 0.38 0.24 12.44 2.56 -0.17 -4.89 118.70 125.71 3bdx s GLU 12 Ca 0.31 -0.09 -0.07 0.00 0.00 0.00 0.00 54.97 55.13 3bdx s GLU 12 Cb -0.07 0.18 -0.06 0.00 2.00 0.00 0.00 34.13 36.18 3bdx s GLU 12 CO 0.21 -0.16 0.52 -1.12 -0.56 0.00 0.00 175.26 174.15 3bdx s SER 13 N -1.92 6.52 0.51 -1.70 0.01 -1.26 0.28 113.70 116.15 3bdx s SER 13 Ca 0.07 0.77 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 3bdx s SER 13 Cb -0.01 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 63.98 3bdx s SER 13 CO -0.05 -0.10 1.04 -2.65 0.41 0.00 0.00 173.24 171.89 3bdx n PRO 14 N -0.43 1.23 0.00 12.44 -0.02 -1.26 -2.53 135.00 144.42 3bdx n PRO 14 Ca -0.01 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3bdx n PRO 14 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.16 2.51 2.67 -1.23 0.00 0.38 -4.84 105.19 105.84 3bdx n GLY 15 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 3bdx n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bdx n LYS 16 N -2.00 -0.18 -4.47 1.61 4.76 -1.05 -3.94 118.16 112.89 3bdx n LYS 16 Ca 0.00 -1.74 -0.33 0.00 -2.87 0.00 0.00 58.31 53.37 3bdx n LYS 16 Cb 0.00 -0.60 -0.15 0.00 -1.84 0.00 0.00 35.03 32.45 3bdx n LYS 16 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3bdx s THR 17 N -2.33 2.96 0.10 -0.18 2.01 -1.26 -0.70 115.64 116.24 3bdx s THR 17 Ca 0.47 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.89 3bdx s THR 17 Cb -0.02 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 3bdx s THR 17 CO 0.32 0.50 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.90 3bdx s VAL 18 N 0.78 2.97 -0.12 3.82 1.01 0.08 -4.96 120.40 123.98 3bdx s VAL 18 Ca -0.05 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 3bdx s VAL 18 Cb -0.15 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.93 3bdx s VAL 18 CO 0.01 0.13 0.13 -0.89 0.00 0.00 0.00 175.10 174.48 3bdx s THR 19 N -1.13 -0.18 -0.12 3.92 2.01 -1.26 0.21 115.64 119.09 3bdx s THR 19 Ca 0.18 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 3bdx s THR 19 Cb -0.11 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 3bdx s THR 19 CO 0.10 -0.03 0.23 -0.63 -0.69 0.00 0.00 174.62 173.60 3bdx s ILE 20 N 2.22 5.35 0.10 1.82 1.01 0.48 -4.91 121.20 127.27 3bdx s ILE 20 Ca 0.04 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.11 3bdx s ILE 20 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3bdx s ILE 20 CO -0.07 0.53 0.24 -0.44 0.00 0.00 0.00 174.94 175.20 3bdx s SER 21 N -0.49 6.35 -0.29 3.58 0.01 -1.26 -1.04 113.70 120.57 3bdx s SER 21 Ca 0.16 0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.63 3bdx s SER 21 Cb -0.13 -1.94 0.11 0.00 0.21 0.00 0.00 66.02 64.27 3bdx s SER 21 CO 0.05 0.12 0.19 0.00 0.41 0.00 0.00 173.24 174.01 3bdx s THR 23 N 2.19 5.42 -0.16 0.00 2.01 0.13 -0.43 115.64 124.80 3bdx s THR 23 Ca 0.09 0.26 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 3bdx s THR 23 Cb -0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3bdx s THR 23 CO -0.34 0.50 0.45 -0.60 -0.69 0.00 0.00 174.62 173.94 3bdx s ARG 24 N -0.17 4.26 0.32 4.92 3.52 -1.04 0.97 118.95 131.73 3bdx s ARG 24 Ca 0.12 0.36 0.09 0.00 -0.13 0.00 0.00 55.73 56.17 3bdx s ARG 24 Cb -0.12 -3.49 0.53 0.00 -1.56 0.00 0.00 34.95 30.31 3bdx s ARG 24 CO 0.01 0.05 1.73 0.66 -0.81 0.00 0.00 175.30 176.94 3bdx h SER 25 N 7.03 0.12 -3.63 -2.12 4.64 -1.51 -3.45 113.55 114.62 3bdx h SER 25 Ca -0.38 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 60.75 3bdx h SER 25 Cb 1.17 -0.03 -0.26 0.00 -0.31 0.00 0.00 62.40 62.97 3bdx h SER 25 CO 0.74 0.54 -0.34 -0.44 -0.87 0.00 0.00 176.83 176.47 3bdx s SER 26 N -6.89 -0.38 0.00 4.97 0.01 -1.26 -4.98 113.70 105.16 3bdx s SER 26 Ca -0.03 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.94 3bdx s SER 26 Cb 0.14 0.67 0.00 0.00 0.21 0.00 0.00 66.02 67.04 3bdx s SER 26 CO 0.75 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.87 3bdx n GLY 27 N 3.41 -0.70 3.69 3.44 0.00 -1.26 -4.89 105.19 108.88 3bdx n GLY 27 Ca -0.17 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.97 6.70 0.12 1.61 0.15 -1.26 -4.83 113.70 114.22 3bdx s SER 28 Ca 0.00 2.33 0.07 0.00 0.70 0.00 0.00 55.95 59.05 3bdx s SER 28 Cb 0.00 -2.56 0.37 0.00 -1.71 0.00 0.00 66.02 62.12 3bdx s SER 28 CO 0.00 -0.82 1.15 0.00 1.20 0.00 0.00 173.24 174.77 3bdx n ILE 29 N 4.71 1.41 -0.00 6.45 0.00 -1.26 0.38 119.36 131.04 3bdx n ILE 29 Ca 0.15 0.59 0.11 0.00 0.00 0.00 0.00 62.75 63.60 3bdx n ILE 29 Cb 0.42 -1.59 0.28 0.00 0.00 0.00 0.00 39.64 38.75 3bdx n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3bdx n ALA 30 N -1.53 2.40 0.08 1.51 0.00 -1.26 -4.29 120.51 117.42 3bdx n ALA 30 Ca -0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 53.44 52.24 3bdx n ALA 30 Cb 0.10 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 4.02 0.09 -4.64 0.00 0.02 -0.45 -3.46 113.55 109.13 3bdx h SER 31 Ca 0.00 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.62 3bdx h SER 31 Cb 0.91 -0.03 -0.23 0.00 0.14 0.00 0.00 62.40 63.20 3bdx h SER 31 CO 0.00 0.99 -0.73 0.20 -1.14 0.00 0.00 176.83 176.16 3bdx s ASN 32 N -6.81 0.58 0.25 3.07 -0.87 -1.26 -5.07 114.94 104.83 3bdx s ASN 32 Ca -0.00 -0.44 -0.30 0.00 -1.57 0.00 0.00 52.86 50.54 3bdx s ASN 32 Cb 0.10 0.04 -0.14 0.00 -0.02 0.00 0.00 41.25 41.23 3bdx s ASN 32 CO 0.82 -0.18 1.26 -1.22 -2.57 0.00 0.00 177.10 175.21 3bdx n TYR 33 N 1.81 1.83 -3.93 2.20 4.01 -1.26 -4.78 117.16 117.04 3bdx n TYR 33 Ca -0.21 0.56 -0.35 0.00 -0.16 0.00 0.00 57.90 57.73 3bdx n TYR 33 Cb 0.56 -2.37 -0.13 0.00 -0.31 0.00 0.00 39.34 37.09 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 -0.45 4.03 0.15 -0.72 1.01 -1.26 -4.26 120.40 118.90 3bdx s VAL 34 Ca 0.65 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.41 3bdx s VAL 34 Cb -0.69 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3bdx s VAL 34 CO 0.54 0.40 0.06 -1.10 0.00 0.00 0.00 175.10 175.00 3bdx s GLN 35 N 1.28 2.67 -0.04 2.72 1.11 0.14 -0.77 119.66 126.76 3bdx s GLN 35 Ca 0.04 -0.93 0.05 0.00 0.01 0.00 0.00 55.36 54.53 3bdx s GLN 35 Cb -0.15 -2.54 -0.01 0.00 -1.01 0.00 0.00 33.01 29.31 3bdx s GLN 35 CO 0.02 0.49 -0.19 -1.58 0.01 0.00 0.00 175.29 174.03 3bdx s TRP 36 N -1.64 1.88 0.05 0.91 0.52 0.28 -0.83 118.94 120.10 3bdx s TRP 36 Ca 0.29 -0.52 0.07 0.00 0.02 0.00 0.00 56.10 55.96 3bdx s TRP 36 Cb -0.10 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 3bdx s TRP 36 CO 0.21 -0.16 -0.21 0.71 0.02 0.00 0.00 176.95 177.52 3bdx s TYR 37 N -0.08 1.81 -0.08 -1.98 2.02 0.31 -1.69 117.35 117.66 3bdx s TYR 37 Ca -0.02 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3bdx s TYR 37 Cb -0.11 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 3bdx s TYR 37 CO 0.02 0.11 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.92 3bdx s GLN 38 N -1.29 2.87 -0.32 -0.62 0.74 0.44 -1.26 119.66 120.22 3bdx s GLN 38 Ca 0.07 -0.52 -0.01 0.00 0.05 0.00 0.00 55.36 54.96 3bdx s GLN 38 Cb -0.09 -2.66 0.10 0.00 1.10 0.00 0.00 33.01 31.47 3bdx s GLN 38 CO 0.02 0.64 0.12 -1.14 -0.55 0.00 0.00 175.29 174.38 3bdx s GLN 39 N -0.73 0.70 0.46 1.67 0.74 0.10 -0.80 119.66 121.80 3bdx s GLN 39 Ca 0.11 -1.11 -0.21 0.00 0.05 0.00 0.00 55.36 54.20 3bdx s GLN 39 Cb -0.11 -1.90 -0.09 0.00 1.10 0.00 0.00 33.01 32.01 3bdx s GLN 39 CO 0.02 -1.02 1.03 1.03 -0.55 0.00 0.00 175.29 175.80 3bdx s ARG 40 N 1.53 3.92 0.22 1.67 0.52 -1.26 -1.22 118.95 124.32 3bdx s ARG 40 Ca 0.11 1.35 -0.31 0.00 -0.52 0.00 0.00 55.73 56.36 3bdx s ARG 40 Cb -0.18 -2.18 -0.15 0.00 0.52 0.00 0.00 34.95 32.96 3bdx s ARG 40 CO -0.23 -0.33 1.03 -0.35 0.02 0.00 0.00 175.30 175.44 3bdx n PRO 41 N -0.78 1.09 -3.74 3.54 -0.04 -1.26 -1.72 135.00 132.09 3bdx n PRO 41 Ca 0.08 0.38 -0.28 0.00 -0.04 0.00 0.00 63.50 63.64 3bdx n PRO 41 Cb 0.52 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 32.23 3bdx n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bdx n GLY 42 N 1.70 -0.50 3.20 0.55 0.00 -1.26 -4.97 105.19 103.91 3bdx n GLY 42 Ca 0.13 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 3bdx n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bdx s SER 43 N -3.14 0.01 0.42 1.61 0.01 -0.70 -5.16 113.70 106.75 3bdx s SER 43 Ca 0.59 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 57.34 3bdx s SER 43 Cb -0.30 0.31 -0.08 0.00 0.21 0.00 0.00 66.02 66.16 3bdx s SER 43 CO 0.73 -0.59 0.87 -0.55 0.41 0.00 0.00 173.24 174.11 3bdx s SER 44 N -2.16 6.70 0.55 2.44 0.15 -1.26 -4.49 113.70 115.64 3bdx s SER 44 Ca -0.04 1.42 -0.21 0.00 0.70 0.00 0.00 55.95 57.82 3bdx s SER 44 Cb -0.00 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 3bdx s SER 44 CO -0.04 -0.40 1.33 -2.84 1.20 0.00 0.00 173.24 172.49 3bdx s PRO 45 N -3.56 3.12 0.08 5.44 0.02 -1.26 -4.68 135.00 134.16 3bdx s PRO 45 Ca 0.57 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.80 3bdx s PRO 45 Cb -0.10 -2.22 -0.03 0.00 0.02 0.00 0.00 34.50 32.17 3bdx s PRO 45 CO 0.24 -1.19 -0.11 0.95 -0.33 0.00 0.00 177.00 176.57 3bdx s THR 46 N -1.34 0.92 -0.16 0.99 -4.23 0.02 -4.95 115.64 106.89 3bdx s THR 46 Ca 0.72 -1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 59.46 3bdx s THR 46 Cb -0.39 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 3bdx s THR 46 CO 0.46 -0.46 1.07 -0.89 -0.54 0.00 0.00 174.62 174.26 3bdx s THR 47 N -2.02 4.62 -0.15 3.99 2.01 -1.26 -0.42 115.64 122.41 3bdx s THR 47 Ca 0.01 1.93 0.12 0.00 0.31 0.00 0.00 61.69 64.06 3bdx s THR 47 Cb -0.06 -4.24 -0.18 0.00 0.01 0.00 0.00 72.50 68.03 3bdx s THR 47 CO 0.01 -0.09 0.03 1.33 -0.69 0.00 0.00 174.62 175.20 3bdx n VAL 48 N 4.98 1.03 -3.82 3.82 0.24 -0.68 -4.72 118.33 119.17 3bdx n VAL 48 Ca 0.11 -0.61 -0.13 0.00 -2.04 0.00 0.00 64.34 61.67 3bdx n VAL 48 Cb 0.47 -0.67 -0.14 0.00 -1.47 0.00 0.00 33.84 32.03 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 -2.36 -0.02 0.05 1.34 -1.09 -1.05 -4.34 121.20 113.73 3bdx s ILE 49 Ca -0.09 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 3bdx s ILE 49 Cb 0.05 -0.15 -0.04 0.00 -1.58 0.00 0.00 42.46 40.74 3bdx s ILE 49 CO 0.59 0.02 -0.03 -0.72 -1.23 0.00 0.00 174.94 173.57 3bdx s TYR 50 N 0.37 0.50 -1.36 3.97 -0.85 -0.53 0.98 117.35 120.43 3bdx s TYR 50 Ca -0.03 -0.99 -0.00 0.00 -0.52 0.00 0.00 57.07 55.53 3bdx s TYR 50 Cb -0.04 -0.37 -0.00 0.00 0.38 0.00 0.00 41.96 41.93 3bdx s TYR 50 CO -0.01 -0.35 0.55 0.39 -1.52 0.00 0.00 175.55 174.61 3bdx n GLU 51 N 0.32 -4.01 0.00 -3.49 1.02 -1.21 -0.50 120.64 112.76 3bdx n GLU 51 Ca -0.15 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3bdx n GLU 51 Cb 0.60 -4.82 0.00 0.00 -0.02 0.00 0.00 31.44 27.20 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 -3.02 0.00 -0.49 1.62 8.00 0.05 -3.95 116.55 118.77 3bdx n ASP 52 Ca -0.31 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.19 3bdx n ASP 52 Cb 0.68 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.77 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 1.09 -0.11 -4.84 -2.24 6.94 -1.12 -3.16 115.26 111.82 3bdx n ASN 53 Ca 0.00 -0.97 -0.38 0.00 -0.02 0.00 0.00 54.58 53.22 3bdx n ASN 53 Cb 0.00 0.03 -0.06 0.00 -2.36 0.00 0.00 39.78 37.39 3bdx n ASN 53 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3bdx s GLN 54 N 0.00 3.87 -0.21 -3.83 -1.52 0.35 -4.56 119.66 113.75 3bdx s GLN 54 Ca 0.00 0.36 -0.07 0.00 -1.95 0.00 0.00 55.36 53.70 3bdx s GLN 54 Cb 0.00 -3.20 -0.03 0.00 -0.22 0.00 0.00 33.01 29.56 3bdx s GLN 54 CO 0.00 0.69 0.05 1.03 -0.25 0.00 0.00 175.29 176.81 3bdx s ARG 55 N -1.14 3.75 0.62 2.91 0.52 -1.26 -1.45 118.95 122.89 3bdx s ARG 55 Ca 0.24 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.83 3bdx s ARG 55 Cb -0.16 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 3bdx s ARG 55 CO 0.13 0.02 1.17 -2.14 0.02 0.00 0.00 175.30 174.50 3bdx s PRO 56 N 1.04 2.86 0.33 3.54 0.02 -1.26 -4.91 135.00 136.62 3bdx s PRO 56 Ca 0.03 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 62.45 3bdx s PRO 56 Cb -0.14 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 3bdx s PRO 56 CO 0.03 -1.26 1.47 0.43 -0.33 0.00 0.00 177.00 177.33 3bdx n SER 57 N -1.91 3.45 0.00 2.53 7.64 -1.26 -2.43 113.62 121.64 3bdx n SER 57 Ca 0.13 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.19 3bdx n SER 57 Cb 0.50 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3bdx n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bdx n GLY 58 N 1.27 3.11 3.63 0.23 0.00 -1.26 -5.04 105.19 107.13 3bdx n GLY 58 Ca 0.06 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.32 3.36 0.38 1.61 1.01 -1.02 -4.94 120.40 120.49 3bdx s VAL 59 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 3bdx s VAL 59 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 3bdx s VAL 59 CO 0.00 -0.16 1.14 -0.81 0.00 0.00 0.00 175.10 175.27 3bdx n PRO 60 N 7.95 1.66 0.00 2.72 -0.04 -1.26 -4.79 135.00 141.24 3bdx n PRO 60 Ca 0.22 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3bdx n PRO 60 Cb 0.44 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 0.60 0.00 0.22 3.54 5.75 -1.26 -1.52 116.55 123.87 3bdx n ASP 61 Ca 0.08 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.96 3bdx n ASP 61 Cb 0.37 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 40.89 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 0.00 0.00 -5.91 0.11 3.08 -1.90 -3.42 114.38 106.34 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 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3bdx h ARG 62 CO 0.00 0.22 -0.20 -0.06 -1.07 0.00 0.00 179.97 178.86 3bdx s PHE 63 N -3.57 3.66 -0.10 3.04 0.40 -0.58 -2.30 117.98 118.53 3bdx s PHE 63 Ca 0.01 0.93 -0.07 0.00 -0.60 0.00 0.00 56.93 57.20 3bdx s PHE 63 Cb 0.10 -2.34 0.04 0.00 0.51 0.00 0.00 43.02 41.32 3bdx s PHE 63 CO 0.64 0.52 0.26 -1.54 0.70 0.00 0.00 175.22 175.80 3bdx s SER 64 N -0.61 -0.28 0.09 1.36 1.04 -0.90 -5.01 113.70 109.40 3bdx s SER 64 Ca 0.23 0.54 0.04 0.00 0.48 0.00 0.00 55.95 57.25 3bdx s SER 64 Cb -0.16 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3bdx s SER 64 CO 0.12 -0.13 0.05 -0.83 0.98 0.00 0.00 173.24 173.42 3bdx s GLY 65 N 0.74 1.94 0.11 7.32 0.00 -1.26 -1.51 107.32 114.67 3bdx s GLY 65 Ca -0.05 -1.09 -0.17 0.00 0.00 0.00 0.00 44.72 43.42 3bdx s GLY 65 CO -0.05 -1.07 0.41 -1.35 0.00 0.00 0.00 173.10 171.05 3bdx s SER 66 N -2.43 -0.26 -0.12 1.64 1.04 -0.94 -4.50 113.70 108.12 3bdx s SER 66 Ca 0.28 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.48 3bdx s SER 66 Cb -0.12 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3bdx s SER 66 CO 0.20 -0.83 -0.19 -0.63 0.98 0.00 0.00 173.24 172.78 3bdx s ILE 67 N -3.58 1.80 -0.55 -1.02 1.01 -1.26 -0.78 121.20 116.82 3bdx s ILE 67 Ca 0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 3bdx s ILE 67 Cb 0.01 -1.61 0.11 0.00 0.01 0.00 0.00 42.46 40.98 3bdx s ILE 67 CO -0.10 0.50 0.58 -0.62 0.00 0.00 0.00 174.94 175.30 3bdx s ASP 68 N 0.84 6.19 0.50 3.58 2.15 0.13 -4.91 116.67 125.15 3bdx s ASP 68 Ca -0.08 -1.53 0.17 0.00 0.43 0.00 0.00 52.55 51.54 3bdx s ASP 68 Cb -0.15 -2.25 1.24 0.00 -0.30 0.00 0.00 42.92 41.45 3bdx s ASP 68 CO -0.01 -0.95 2.10 0.28 -0.17 0.00 0.00 175.17 176.43 3bdx h SER 69 N 9.01 0.00 -0.99 -0.34 0.02 -1.97 -1.98 113.55 117.29 3bdx h SER 69 Ca -0.29 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3bdx h SER 69 Cb 1.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 3bdx h SER 69 CO 1.04 0.07 0.65 -1.28 -1.14 0.00 0.00 176.83 176.18 3bdx h SER 70 N 0.00 1.11 0.00 3.07 0.87 -1.94 -3.28 113.55 113.38 3bdx h SER 70 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3bdx h SER 70 Cb 0.13 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3bdx h SER 70 CO 0.01 0.78 -0.05 -1.54 -0.53 0.00 0.00 176.83 175.50 3bdx n SER 71 N -4.42 1.88 -3.71 6.23 3.41 -1.08 -5.01 113.62 110.91 3bdx n SER 71 Ca 0.13 -2.52 -0.26 0.00 -0.26 0.00 0.00 58.87 55.96 3bdx n SER 71 Cb 0.06 -0.25 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 3bdx n SER 71 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3bdx n ASN 72 N -0.92 -5.38 -4.11 4.04 5.15 -0.77 -4.86 115.26 108.40 3bdx n ASN 72 Ca 0.08 -0.64 -0.10 0.00 -0.60 0.00 0.00 54.58 53.33 3bdx n ASN 72 Cb 0.51 -4.59 -0.10 0.00 -0.53 0.00 0.00 39.78 35.08 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 -3.41 0.80 0.29 1.20 1.04 -1.05 -2.50 113.70 110.07 3bdx s SER 73 Ca 0.56 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 56.13 3bdx s SER 73 Cb -0.26 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 3bdx s SER 73 CO 0.77 -0.46 0.44 0.00 0.98 0.00 0.00 173.24 174.97 3bdx s ALA 74 N -3.23 3.85 -0.06 5.32 0.00 0.43 0.19 121.76 128.25 3bdx s ALA 74 Ca 0.05 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 3bdx s ALA 74 Cb 0.03 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.29 3bdx s ALA 74 CO -0.06 0.12 0.26 -1.54 0.00 0.00 0.00 175.76 174.54 3bdx s SER 75 N -4.02 -0.21 -0.24 0.00 1.04 0.04 -1.23 113.70 109.09 3bdx s SER 75 Ca 0.37 0.30 -0.03 0.00 0.48 0.00 0.00 55.95 57.07 3bdx s SER 75 Cb -0.09 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3bdx s SER 75 CO 0.32 -0.23 -0.04 -0.22 0.98 0.00 0.00 173.24 174.05 3bdx s LEU 76 N -0.48 3.14 -0.16 2.42 2.96 -0.20 -2.22 118.68 124.14 3bdx s LEU 76 Ca -0.06 -0.70 -0.03 0.00 -0.22 0.00 0.00 54.13 53.12 3bdx s LEU 76 Cb -0.04 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3bdx s LEU 76 CO 0.02 -0.10 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.01 3bdx s THR 77 N 1.39 3.71 -0.17 3.68 2.01 -0.57 -0.39 115.64 125.30 3bdx s THR 77 Ca 0.02 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 3bdx s THR 77 Cb -0.16 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 3bdx s THR 77 CO -0.04 0.49 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.69 3bdx s ILE 78 N 0.50 3.45 0.28 1.82 -1.09 0.13 -2.12 121.20 124.18 3bdx s ILE 78 Ca -0.04 -0.49 0.07 0.00 -2.23 0.00 0.00 60.65 57.96 3bdx s ILE 78 Cb -0.15 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 3bdx s ILE 78 CO 0.03 0.47 0.23 -0.94 -1.23 0.00 0.00 174.94 173.50 3bdx s SER 79 N 0.81 5.43 -1.34 3.58 1.04 -0.97 -0.74 113.70 121.51 3bdx s SER 79 Ca -0.02 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 3bdx s SER 79 Cb -0.15 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.74 3bdx s SER 79 CO 0.01 -0.15 0.46 0.61 0.98 0.00 0.00 173.24 175.15 3bdx n GLY 80 N -1.25 -0.49 3.53 7.32 0.00 -0.97 -4.77 105.19 108.55 3bdx n GLY 80 Ca -0.06 0.26 -0.52 0.00 0.00 0.00 0.00 46.02 45.70 3bdx n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bdx n LEU 81 N -4.54 0.67 -4.46 0.99 0.00 0.12 -4.42 117.00 105.36 3bdx n LEU 81 Ca -0.23 1.14 -0.23 0.00 0.00 0.00 0.00 56.01 56.70 3bdx n LEU 81 Cb 0.64 -1.08 -0.10 0.00 0.00 0.00 0.00 43.42 42.88 3bdx n LEU 81 CO 0.76 -1.70 -0.42 -0.54 0.00 0.00 0.00 177.39 175.49 3bdx s LYS 82 N -0.24 1.63 0.43 1.96 1.02 -1.26 0.14 119.74 123.42 3bdx s LYS 82 Ca 0.79 -1.79 0.18 0.00 0.02 0.00 0.00 55.97 55.17 3bdx s LYS 82 Cb -1.00 -1.49 1.00 0.00 -0.52 0.00 0.00 37.83 35.82 3bdx s LYS 82 CO 0.53 0.18 1.93 1.15 -0.92 0.00 0.00 175.35 178.23 3bdx h THR 83 N 2.25 1.00 0.00 2.17 2.02 -1.96 -1.85 112.91 116.54 3bdx h THR 83 Ca -0.40 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3bdx h THR 83 Cb 1.24 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3bdx h THR 83 CO 0.65 0.25 0.00 -1.84 0.37 0.00 0.00 175.52 174.95 3bdx n GLU 84 N -3.98 0.13 0.02 6.66 0.00 -1.26 -2.60 120.64 119.60 3bdx n GLU 84 Ca -0.02 0.24 0.10 0.00 0.00 0.00 0.00 57.16 57.49 3bdx n GLU 84 Cb 0.32 -1.69 0.44 0.00 0.00 0.00 0.00 31.44 30.51 3bdx n GLU 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3bdx n ASP 85 N -1.92 0.10 -4.67 -1.84 8.00 -0.70 -4.76 116.55 110.76 3bdx n ASP 85 Ca 0.04 0.52 -0.42 0.00 0.71 0.00 0.00 54.79 55.64 3bdx n ASP 85 Cb 0.29 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 -3.03 4.19 0.00 -1.24 2.12 -1.07 -4.87 118.70 114.80 3bdx s GLU 86 Ca 0.09 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.63 3bdx s GLU 86 Cb 0.13 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.64 3bdx s GLU 86 CO 0.39 -0.80 0.00 0.00 -0.54 0.00 0.00 175.26 174.30 3bdx n ALA 87 N 6.70 0.00 -2.64 6.30 0.00 -1.16 -4.58 120.51 125.13 3bdx n ALA 87 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 3bdx n ALA 87 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 3bdx n ALA 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bdx s ASP 88 N -2.27 6.65 -0.12 0.00 1.11 -0.36 -1.42 116.67 120.26 3bdx s ASP 88 Ca 0.00 0.77 0.03 0.00 0.18 0.00 0.00 52.55 53.53 3bdx s ASP 88 Cb 0.00 -2.19 0.01 0.00 1.07 0.00 0.00 42.92 41.81 3bdx s ASP 88 CO 0.00 0.32 -0.21 -0.31 1.18 0.00 0.00 175.17 176.15 3bdx s TYR 89 N -0.85 2.47 -0.10 4.23 1.51 -0.47 0.01 117.35 124.15 3bdx s TYR 89 Ca 0.20 -1.19 0.04 0.00 -1.01 0.00 0.00 57.07 55.11 3bdx s TYR 89 Cb -0.15 -1.69 -0.00 0.00 -0.11 0.00 0.00 41.96 40.00 3bdx s TYR 89 CO 0.10 -0.55 -0.23 0.71 -1.11 0.00 0.00 175.55 174.47 3bdx s TYR 90 N 0.77 2.58 0.18 2.71 2.02 -0.39 -0.54 117.35 124.68 3bdx s TYR 90 Ca -0.09 -0.96 -0.02 0.00 -0.37 0.00 0.00 57.07 55.63 3bdx s TYR 90 Cb -0.16 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 3bdx s TYR 90 CO -0.00 -0.37 0.38 0.00 -1.57 0.00 0.00 175.55 173.99 3bdx s GLN 92 N -3.12 0.64 0.14 0.00 -0.44 -0.01 -0.91 119.66 115.95 3bdx s GLN 92 Ca 0.39 -0.16 -0.04 0.00 -2.50 0.00 0.00 55.36 53.04 3bdx s GLN 92 Cb -0.11 0.29 0.02 0.00 -1.64 0.00 0.00 33.01 31.56 3bdx s GLN 92 CO 0.28 -0.17 0.26 0.45 0.50 0.00 0.00 175.29 176.61 3bdx n SER 93 N 1.38 -0.75 -4.43 6.67 2.88 -0.63 -0.69 113.62 118.06 3bdx n SER 93 Ca -0.21 -1.58 -0.21 0.00 -1.33 0.00 0.00 58.87 55.54 3bdx n SER 93 Cb 0.56 1.27 -0.10 0.00 -0.75 0.00 0.00 64.21 65.19 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 -6.20 1.93 0.46 0.66 2.02 -1.26 -1.07 117.35 113.89 3bdx s TYR 94 Ca 0.06 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 3bdx s TYR 94 Cb -0.01 -1.13 0.04 0.00 -0.40 0.00 0.00 41.96 40.46 3bdx s TYR 94 CO 0.05 0.23 0.37 -0.40 -1.57 0.00 0.00 175.55 174.22 3bdx n ASP 95 N -0.59 2.41 0.30 2.29 5.68 -1.04 -4.66 116.55 120.95 3bdx n ASP 95 Ca -0.05 -2.55 0.19 0.00 -0.50 0.00 0.00 54.79 51.88 3bdx n ASP 95 Cb 0.64 -0.06 0.89 0.00 -1.14 0.00 0.00 41.12 41.45 3bdx n ASP 95 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3bdx h SER 96 N 0.51 0.00 -0.25 -1.12 4.64 -1.98 -2.15 113.55 113.20 3bdx h SER 96 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3bdx h SER 96 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3bdx h SER 96 CO 0.44 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.21 3bdx n SER 97 N -3.10 1.87 -0.96 4.97 7.64 -1.26 -4.91 113.62 117.87 3bdx n SER 97 Ca -0.01 -1.83 -0.09 0.00 1.01 0.00 0.00 58.87 57.96 3bdx n SER 97 Cb 0.22 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 3bdx n SER 97 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3bdx n ASN 98 N 0.47 -3.35 -4.86 6.43 4.05 -0.81 -5.03 115.26 112.18 3bdx n ASN 98 Ca 0.15 0.04 -0.32 0.00 0.45 0.00 0.00 54.58 54.91 3bdx n ASN 98 Cb 0.34 -2.41 -0.05 0.00 1.23 0.00 0.00 39.78 38.89 3bdx n ASN 98 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 3bdx s HIS 99 N -2.43 3.41 -0.20 1.20 3.76 -1.26 -4.86 115.29 114.92 3bdx s HIS 99 Ca 0.00 1.21 -0.08 0.00 -0.15 0.00 0.00 55.06 56.04 3bdx s HIS 99 Cb 0.00 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 3bdx s HIS 99 CO 0.00 -0.04 0.08 0.08 -0.85 0.00 0.00 174.74 174.01 3bdx s VAL 100 N -2.21 4.85 -0.10 -0.90 1.01 -1.26 -2.48 120.40 119.30 3bdx s VAL 100 Ca 0.54 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.55 3bdx s VAL 100 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3bdx s VAL 100 CO 0.24 0.42 -0.22 -0.69 0.00 0.00 0.00 175.10 174.84 3bdx s VAL 101 N 0.67 1.95 0.08 2.92 1.01 -0.23 -5.00 120.40 121.80 3bdx s VAL 101 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3bdx s VAL 101 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3bdx s VAL 101 CO 0.02 0.54 0.02 -0.36 0.00 0.00 0.00 175.10 175.31 3bdx s PHE 102 N 0.43 3.06 0.92 5.22 0.40 -1.26 -1.60 117.98 125.14 3bdx s PHE 102 Ca -0.17 0.02 -0.15 0.00 -0.60 0.00 0.00 56.93 56.03 3bdx s PHE 102 Cb -0.18 -1.58 0.17 0.00 0.51 0.00 0.00 43.02 41.95 3bdx s PHE 102 CO 0.07 0.49 1.28 0.20 0.70 0.00 0.00 175.22 177.97 3bdx s GLY 103 N -2.24 1.74 0.00 4.36 0.00 -0.09 -4.52 107.32 106.57 3bdx s GLY 103 Ca 0.26 -1.07 0.26 0.00 0.00 0.00 0.00 44.72 44.17 3bdx s GLY 103 CO 0.18 -0.38 1.90 0.61 0.00 0.00 0.00 173.10 175.42 3bdx n GLY 104 N -3.64 -1.10 0.00 0.20 0.00 -1.24 -4.76 105.19 94.64 3bdx n GLY 104 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bdx n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdx n GLY 105 N 0.90 -0.19 2.84 -0.02 0.00 -1.26 -5.03 105.19 102.43 3bdx n GLY 105 Ca 0.14 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.33 0.96 -0.23 2.61 2.01 0.30 -4.53 115.64 114.43 3bdx s THR 106 Ca 0.00 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 3bdx s THR 106 Cb 0.00 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3bdx s THR 106 CO 0.00 -0.07 0.98 -0.54 -0.69 0.00 0.00 174.62 174.30 3bdx s LYS 107 N 1.67 4.24 -0.22 4.92 1.02 -1.11 -1.37 119.74 128.90 3bdx s LYS 107 Ca -0.02 1.24 -0.09 0.00 0.02 0.00 0.00 55.97 57.12 3bdx s LYS 107 Cb -0.17 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 3bdx s LYS 107 CO -0.07 -0.59 0.12 -1.17 -0.92 0.00 0.00 175.35 172.72 3bdx s LEU 108 N 3.07 4.01 -0.10 3.17 2.96 -0.50 -0.52 118.68 130.77 3bdx s LEU 108 Ca 0.42 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3bdx s LEU 108 Cb -0.15 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3bdx s LEU 108 CO 0.07 0.11 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.23 3bdx s THR 109 N 0.77 3.48 -0.34 3.68 2.01 0.28 -3.01 115.64 122.53 3bdx s THR 109 Ca 0.06 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 3bdx s THR 109 Cb -0.13 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 3bdx s THR 109 CO 0.02 0.55 0.21 -0.69 -0.69 0.00 0.00 174.62 174.02 3bdx s VAL 110 N -0.24 5.00 -2.00 3.82 1.01 -1.26 -1.00 120.40 125.73 3bdx s VAL 110 Ca 0.03 -0.35 0.20 0.00 0.00 0.00 0.00 61.98 61.85 3bdx s VAL 110 Cb -0.13 -3.59 0.58 0.00 0.00 0.00 0.00 36.38 33.24 3bdx s VAL 110 CO 0.03 -0.01 1.60 0.18 0.00 0.00 0.00 175.10 176.89