#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 3.48 0.21 1.20 -0.71 -1.26 -5.06 117.98 115.85 3bdx s PHE 2 Ca 0.00 0.69 0.09 0.00 -1.04 0.00 0.00 56.93 56.68 3bdx s PHE 2 Cb 0.00 -2.15 -0.04 0.00 -1.21 0.00 0.00 43.02 39.62 3bdx s PHE 2 CO 0.00 0.12 -0.06 0.00 -1.34 0.00 0.00 175.22 173.93 3bdx s MET 3 N -3.65 2.14 -0.17 1.99 0.23 -1.26 -4.97 119.30 113.61 3bdx s MET 3 Ca 0.45 -1.34 -0.04 0.00 -1.03 0.00 0.00 55.69 53.74 3bdx s MET 3 Cb -0.11 -2.15 -0.02 0.00 -1.53 0.00 0.00 34.83 31.02 3bdx s MET 3 CO 0.31 0.41 -0.04 -0.51 -2.03 0.00 0.00 175.02 173.16 3bdx s LEU 4 N -3.16 3.18 -0.26 0.18 1.43 -1.26 -1.99 118.68 116.79 3bdx s LEU 4 Ca 0.28 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 3bdx s LEU 4 Cb -0.08 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3bdx s LEU 4 CO 0.17 0.13 0.09 -0.89 0.23 0.00 0.00 176.35 176.07 3bdx s THR 5 N 0.62 4.38 0.34 5.49 2.01 0.13 -3.45 115.64 125.16 3bdx s THR 5 Ca -0.02 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 61.82 3bdx s THR 5 Cb -0.14 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3bdx s THR 5 CO 0.02 0.28 0.42 -1.10 -0.69 0.00 0.00 174.62 173.55 3bdx s GLN 6 N 1.61 2.97 0.66 4.92 -0.21 -1.26 -0.30 119.66 128.05 3bdx s GLN 6 Ca 0.06 -1.12 -0.17 0.00 0.02 0.00 0.00 55.36 54.14 3bdx s GLN 6 Cb -0.16 -2.70 -0.00 0.00 1.00 0.00 0.00 33.01 31.15 3bdx s GLN 6 CO 0.04 0.05 1.26 -1.12 -2.12 0.00 0.00 175.29 173.40 3bdx s SER 7 N -4.13 4.60 0.60 5.90 0.01 -0.63 -4.97 113.70 115.07 3bdx s SER 7 Ca 0.44 2.53 -0.19 0.00 1.31 0.00 0.00 55.95 60.05 3bdx s SER 7 Cb -0.08 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 3bdx s SER 7 CO 0.30 -2.00 1.22 -2.28 0.41 0.00 0.00 173.24 170.88 3bdx s HIS 8 N -1.55 2.34 0.33 2.43 2.46 -1.26 -4.56 115.29 115.48 3bdx s HIS 8 Ca 0.80 1.51 -0.17 0.00 0.47 0.00 0.00 55.06 57.67 3bdx s HIS 8 Cb -0.35 -3.51 -0.12 0.00 -0.13 0.00 0.00 32.58 28.47 3bdx s HIS 8 CO 0.40 -2.32 0.05 -1.13 -2.47 0.00 0.00 174.74 169.28 3bdx n SER 9 N -1.63 -2.36 -4.11 9.88 3.41 -1.26 -4.81 113.62 112.74 3bdx n SER 9 Ca 0.14 0.64 -0.19 0.00 -0.26 0.00 0.00 58.87 59.20 3bdx n SER 9 Cb 0.49 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.61 3bdx n SER 9 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bdx s VAL 10 N -1.37 0.95 -0.02 -3.33 1.01 0.12 -4.92 120.40 112.84 3bdx s VAL 10 Ca 0.47 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3bdx s VAL 10 Cb -0.50 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3bdx s VAL 10 CO 0.51 -0.00 -0.07 -0.94 0.00 0.00 0.00 175.10 174.59 3bdx s SER 11 N -0.99 0.97 0.18 3.32 1.04 -1.26 0.49 113.70 117.45 3bdx s SER 11 Ca 0.00 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 3bdx s SER 11 Cb -0.07 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.84 3bdx s SER 11 CO 0.01 0.06 0.41 -0.70 0.98 0.00 0.00 173.24 174.00 3bdx s GLU 12 N 0.11 1.27 0.50 4.02 2.56 -0.36 -4.95 118.70 121.85 3bdx s GLU 12 Ca -0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 54.97 53.92 3bdx s GLU 12 Cb -0.06 0.45 -0.01 0.00 2.00 0.00 0.00 34.13 36.51 3bdx s GLU 12 CO -0.00 -0.51 0.78 -1.12 -0.56 0.00 0.00 175.26 173.85 3bdx s SER 13 N -2.91 5.90 0.48 -1.70 0.01 -1.26 -1.21 113.70 113.01 3bdx s SER 13 Ca 0.12 0.65 -0.24 0.00 1.31 0.00 0.00 55.95 57.79 3bdx s SER 13 Cb 0.01 -1.84 -0.07 0.00 0.21 0.00 0.00 66.02 64.33 3bdx s SER 13 CO -0.02 -0.77 1.42 -2.84 0.41 0.00 0.00 173.24 171.44 3bdx s PRO 14 N -4.76 3.50 0.00 12.44 0.02 -1.26 -2.43 135.00 142.52 3bdx s PRO 14 Ca 0.50 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3bdx s PRO 14 Cb -0.10 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.88 3bdx s PRO 14 CO 0.43 -0.96 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3bdx n GLY 15 N 0.62 2.92 2.38 0.52 0.00 0.29 -4.83 105.19 107.08 3bdx n GLY 15 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.99 -0.40 -4.59 1.61 5.02 -1.02 -3.67 118.16 113.12 3bdx n LYS 16 Ca 0.00 -1.43 -0.33 0.00 -2.02 0.00 0.00 58.31 54.53 3bdx n LYS 16 Cb 0.00 -0.66 -0.16 0.00 -0.02 0.00 0.00 35.03 34.19 3bdx n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3bdx s THR 17 N -2.38 2.14 0.08 -0.18 2.01 -1.26 -1.88 115.64 114.17 3bdx s THR 17 Ca 0.44 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.56 3bdx s THR 17 Cb -0.02 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3bdx s THR 17 CO 0.30 0.54 -0.13 0.68 -0.69 0.00 0.00 174.62 175.32 3bdx s VAL 18 N 0.87 3.15 -0.10 3.82 -7.23 -0.94 -4.99 120.40 114.98 3bdx s VAL 18 Ca -0.05 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 3bdx s VAL 18 Cb -0.15 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.39 3bdx s VAL 18 CO -0.03 0.19 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.04 3bdx s THR 19 N -1.11 0.61 -0.15 5.32 2.01 -1.26 -1.28 115.64 119.79 3bdx s THR 19 Ca 0.19 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 3bdx s THR 19 Cb -0.11 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3bdx s THR 19 CO 0.10 0.26 0.17 -0.63 -0.69 0.00 0.00 174.62 173.83 3bdx s ILE 20 N 1.87 5.42 0.01 1.82 1.01 0.89 -4.94 121.20 127.29 3bdx s ILE 20 Ca 0.04 0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3bdx s ILE 20 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3bdx s ILE 20 CO -0.06 0.52 0.04 -0.44 0.00 0.00 0.00 174.94 175.00 3bdx s SER 21 N -0.33 5.36 -0.26 3.58 0.01 -1.26 -1.39 113.70 119.40 3bdx s SER 21 Ca 0.13 0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.41 3bdx s SER 21 Cb -0.12 -1.45 0.08 0.00 0.21 0.00 0.00 66.02 64.75 3bdx s SER 21 CO 0.02 0.26 0.07 0.00 0.41 0.00 0.00 173.24 174.00 3bdx s THR 23 N 1.72 5.16 -0.23 0.00 2.01 0.58 -0.01 115.64 124.86 3bdx s THR 23 Ca 0.05 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 3bdx s THR 23 Cb -0.17 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 3bdx s THR 23 CO -0.19 0.59 0.43 -0.60 -0.69 0.00 0.00 174.62 174.16 3bdx s ARG 24 N -0.74 4.11 0.15 4.92 3.52 -1.14 0.17 118.95 129.94 3bdx s ARG 24 Ca 0.13 0.20 -0.20 0.00 -0.13 0.00 0.00 55.73 55.73 3bdx s ARG 24 Cb -0.12 -3.60 0.04 0.00 -1.56 0.00 0.00 34.95 29.72 3bdx s ARG 24 CO 0.03 -0.18 1.66 0.66 -0.81 0.00 0.00 175.30 176.66 3bdx h SER 25 N 7.74 -0.48 -4.68 -2.12 4.64 -1.76 -3.44 113.55 113.45 3bdx h SER 25 Ca -0.33 0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 60.94 3bdx h SER 25 Cb 1.16 0.26 -0.22 0.00 -0.31 0.00 0.00 62.40 63.29 3bdx h SER 25 CO 0.70 -0.18 -0.54 -0.94 -0.87 0.00 0.00 176.83 175.00 3bdx s SER 26 N -5.13 0.02 0.00 4.97 1.04 -1.26 -5.04 113.70 108.29 3bdx s SER 26 Ca -0.14 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3bdx s SER 26 Cb 0.13 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3bdx s SER 26 CO 0.69 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.24 3bdx n GLY 27 N 1.86 0.32 3.69 7.32 0.00 -1.26 -4.84 105.19 112.28 3bdx n GLY 27 Ca -0.20 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.62 7.14 0.62 1.61 0.15 -1.26 -4.90 113.70 115.44 3bdx s SER 28 Ca 0.00 1.39 0.35 0.00 0.70 0.00 0.00 55.95 58.39 3bdx s SER 28 Cb 0.00 -2.50 1.93 0.00 -1.71 0.00 0.00 66.02 63.74 3bdx s SER 28 CO 0.00 -0.32 2.08 -0.29 1.20 0.00 0.00 173.24 175.91 3bdx h ILE 29 N 4.98 0.00 -0.02 6.45 -0.00 -1.91 0.19 117.51 127.20 3bdx h ILE 29 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.51 3bdx h ILE 29 Cb 1.17 0.79 0.00 0.00 -0.00 0.00 0.00 36.82 38.78 3bdx h ILE 29 CO 0.80 0.00 -0.19 0.00 -0.00 0.00 0.00 178.15 178.76 3bdx n ALA 30 N -1.95 2.94 0.27 0.18 0.00 -1.26 -4.11 120.51 116.58 3bdx n ALA 30 Ca -0.02 -0.53 0.14 0.00 0.00 0.00 0.00 53.44 53.03 3bdx n ALA 30 Cb 0.20 -1.00 0.79 0.00 0.00 0.00 0.00 19.45 19.44 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 2.47 0.00 -4.41 0.00 0.02 -1.01 -3.43 113.55 107.19 3bdx h SER 31 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3bdx h SER 31 Cb 0.66 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.96 3bdx h SER 31 CO 0.00 0.09 -0.56 0.20 -1.14 0.00 0.00 176.83 175.41 3bdx s ASN 32 N -6.06 -0.01 0.55 3.07 -0.87 -1.26 -5.09 114.94 105.27 3bdx s ASN 32 Ca -0.03 -0.04 -0.19 0.00 -1.57 0.00 0.00 52.86 51.03 3bdx s ASN 32 Cb 0.13 0.21 -0.09 0.00 -0.02 0.00 0.00 41.25 41.48 3bdx s ASN 32 CO 0.56 -0.20 0.63 -1.22 -2.57 0.00 0.00 177.10 174.30 3bdx n TYR 33 N 2.21 -0.31 -5.18 2.20 4.01 -1.26 -4.82 117.16 114.02 3bdx n TYR 33 Ca -0.18 0.47 -0.32 0.00 -0.16 0.00 0.00 57.90 57.71 3bdx n TYR 33 Cb 0.57 -2.01 -0.16 0.00 -0.31 0.00 0.00 39.34 37.44 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 -1.63 2.30 0.13 -0.72 1.01 -1.26 -4.30 120.40 115.92 3bdx s VAL 34 Ca 0.69 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3bdx s VAL 34 Cb -0.47 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3bdx s VAL 34 CO 0.54 0.57 -0.22 -1.10 0.00 0.00 0.00 175.10 174.89 3bdx s GLN 35 N -0.35 1.26 -0.06 2.72 1.11 -0.07 -0.18 119.66 124.09 3bdx s GLN 35 Ca 0.02 -1.28 0.05 0.00 0.01 0.00 0.00 55.36 54.16 3bdx s GLN 35 Cb -0.12 -1.56 -0.01 0.00 -1.01 0.00 0.00 33.01 30.31 3bdx s GLN 35 CO 0.02 0.36 -0.21 -1.58 0.01 0.00 0.00 175.29 173.88 3bdx s TRP 36 N -1.32 2.12 0.00 0.91 0.52 0.41 -0.89 118.94 120.69 3bdx s TRP 36 Ca 0.11 -0.65 0.08 0.00 0.02 0.00 0.00 56.10 55.66 3bdx s TRP 36 Cb -0.09 -1.41 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 3bdx s TRP 36 CO 0.06 -0.22 -0.24 0.71 0.02 0.00 0.00 176.95 177.28 3bdx s TYR 37 N -0.01 2.12 -0.17 -1.98 2.02 0.24 -1.63 117.35 117.95 3bdx s TYR 37 Ca -0.05 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.18 3bdx s TYR 37 Cb -0.13 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 3bdx s TYR 37 CO 0.04 0.01 0.06 -1.14 -1.57 0.00 0.00 175.55 172.94 3bdx s GLN 38 N -0.76 3.84 -0.35 -0.62 0.74 0.20 -1.48 119.66 121.22 3bdx s GLN 38 Ca 0.09 -0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.17 3bdx s GLN 38 Cb -0.09 -3.16 0.11 0.00 1.10 0.00 0.00 33.01 30.97 3bdx s GLN 38 CO -0.00 0.35 0.13 -1.14 -0.55 0.00 0.00 175.29 174.09 3bdx s GLN 39 N 0.14 0.99 0.74 1.67 0.74 0.05 -0.71 119.66 123.28 3bdx s GLN 39 Ca 0.05 -1.46 -0.11 0.00 0.05 0.00 0.00 55.36 53.89 3bdx s GLN 39 Cb -0.12 -2.26 0.04 0.00 1.10 0.00 0.00 33.01 31.76 3bdx s GLN 39 CO 0.01 -1.03 1.08 1.03 -0.55 0.00 0.00 175.29 175.82 3bdx s ARG 40 N 1.14 2.51 0.24 1.67 0.52 -1.26 -1.92 118.95 121.86 3bdx s ARG 40 Ca 0.12 1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 56.12 3bdx s ARG 40 Cb -0.20 -1.93 -0.15 0.00 0.52 0.00 0.00 34.95 33.20 3bdx s ARG 40 CO -0.15 -1.44 1.11 -2.30 0.02 0.00 0.00 175.30 172.54 3bdx n PRO 41 N -3.36 1.36 -1.08 3.54 -0.02 -1.26 -1.37 135.00 132.81 3bdx n PRO 41 Ca 0.08 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 62.02 3bdx n PRO 41 Cb 0.53 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.63 0.28 3.77 -1.23 0.00 -1.26 -4.95 105.19 103.43 3bdx n GLY 42 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.09 4.44 0.40 1.61 0.01 -0.47 -5.14 113.70 112.45 3bdx s SER 43 Ca 0.00 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.10 3bdx s SER 43 Cb 0.00 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 3bdx s SER 43 CO 0.00 -0.67 0.61 -0.94 0.41 0.00 0.00 173.24 172.65 3bdx s SER 44 N -3.97 6.10 0.26 2.44 1.04 -1.26 -4.70 113.70 113.61 3bdx s SER 44 Ca 0.36 0.40 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 3bdx s SER 44 Cb 0.02 -1.82 -0.10 0.00 0.10 0.00 0.00 66.02 64.22 3bdx s SER 44 CO 0.20 -0.48 1.41 -2.84 0.98 0.00 0.00 173.24 172.52 3bdx s PRO 45 N -4.43 4.28 0.01 4.02 0.02 -1.26 -4.62 135.00 133.01 3bdx s PRO 45 Ca 0.44 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.79 3bdx s PRO 45 Cb -0.10 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 3bdx s PRO 45 CO 0.37 -0.38 -0.16 0.95 -0.33 0.00 0.00 177.00 177.45 3bdx s THR 46 N -0.15 1.27 0.15 0.99 -4.23 0.12 -4.92 115.64 108.86 3bdx s THR 46 Ca 0.58 -0.82 -0.30 0.00 -1.18 0.00 0.00 61.69 59.97 3bdx s THR 46 Cb -0.41 -1.08 -0.07 0.00 1.34 0.00 0.00 72.50 72.27 3bdx s THR 46 CO 0.44 0.25 1.21 -0.89 -0.54 0.00 0.00 174.62 175.09 3bdx s THR 47 N -0.54 3.67 -0.01 3.99 2.01 -1.26 0.59 115.64 124.09 3bdx s THR 47 Ca 0.05 1.33 0.02 0.00 0.31 0.00 0.00 61.69 63.40 3bdx s THR 47 Cb -0.07 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3bdx s THR 47 CO 0.00 0.18 0.02 1.33 -0.69 0.00 0.00 174.62 175.46 3bdx n VAL 48 N 2.96 0.06 -3.82 3.82 0.24 -0.64 -4.76 118.33 116.18 3bdx n VAL 48 Ca 0.06 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 3bdx n VAL 48 Cb 0.45 -0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 32.36 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 -2.07 -0.00 0.00 1.34 -1.09 -1.13 -4.31 121.20 113.93 3bdx s ILE 49 Ca -0.01 0.02 -0.10 0.00 -2.23 0.00 0.00 60.65 58.33 3bdx s ILE 49 Cb 0.01 -0.20 0.01 0.00 -1.58 0.00 0.00 42.46 40.69 3bdx s ILE 49 CO 0.07 0.01 0.19 -0.72 -1.23 0.00 0.00 174.94 173.25 3bdx s TYR 50 N 0.17 -0.01 -1.28 3.97 -0.85 0.22 -0.44 117.35 119.13 3bdx s TYR 50 Ca -0.01 -0.05 -0.04 0.00 -0.52 0.00 0.00 57.07 56.45 3bdx s TYR 50 Cb -0.02 -0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.32 3bdx s TYR 50 CO -0.00 -0.34 1.04 0.39 -1.52 0.00 0.00 175.55 175.12 3bdx n GLU 51 N 1.27 -6.95 0.00 -3.49 1.02 -1.12 -0.79 120.64 110.59 3bdx n GLU 51 Ca -0.22 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3bdx n GLU 51 Cb 0.56 -5.81 0.00 0.00 -0.02 0.00 0.00 31.44 26.17 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 -3.08 0.00 -0.11 1.62 8.00 0.74 -4.05 116.55 119.68 3bdx n ASP 52 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3bdx n ASP 52 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.62 0.00 -4.79 -2.24 0.23 -1.22 -3.41 115.26 105.45 3bdx n ASN 53 Ca 0.00 -1.13 -0.39 0.00 -0.53 0.00 0.00 54.58 52.53 3bdx n ASN 53 Cb 0.00 -0.03 -0.06 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 4.24 -0.15 -3.83 -1.52 0.03 -4.62 119.66 113.80 3bdx s GLN 54 Ca 0.00 0.71 -0.06 0.00 -1.95 0.00 0.00 55.36 54.06 3bdx s GLN 54 Cb 0.00 -3.28 -0.04 0.00 -0.22 0.00 0.00 33.01 29.47 3bdx s GLN 54 CO 0.00 0.52 0.05 1.03 -0.25 0.00 0.00 175.29 176.64 3bdx s ARG 55 N -0.69 3.70 0.57 2.91 0.52 -1.26 -0.61 118.95 124.08 3bdx s ARG 55 Ca 0.29 -0.34 -0.19 0.00 -0.52 0.00 0.00 55.73 54.97 3bdx s ARG 55 Cb -0.19 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 3bdx s ARG 55 CO 0.18 0.42 1.15 -2.14 0.02 0.00 0.00 175.30 174.93 3bdx s PRO 56 N -0.06 3.20 0.45 3.54 0.02 -1.26 -4.92 135.00 135.97 3bdx s PRO 56 Ca 0.06 1.67 -0.25 0.00 0.02 0.00 0.00 61.00 62.50 3bdx s PRO 56 Cb -0.12 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.34 3bdx s PRO 56 CO 0.01 -0.98 1.38 -1.54 -0.33 0.00 0.00 177.00 175.54 3bdx s SER 57 N -1.76 5.93 0.00 2.53 1.04 -1.26 -2.08 113.70 118.10 3bdx s SER 57 Ca 0.74 2.83 0.00 0.00 0.48 0.00 0.00 55.95 60.00 3bdx s SER 57 Cb -0.26 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.22 3bdx s SER 57 CO 0.30 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3bdx n GLY 58 N 0.61 3.00 3.70 7.32 0.00 -1.26 -5.04 105.19 113.51 3bdx n GLY 58 Ca 0.05 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.02 4.54 0.52 1.61 1.01 -0.88 -5.00 120.40 121.18 3bdx s VAL 59 Ca 0.00 1.83 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 3bdx s VAL 59 Cb 0.00 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 3bdx s VAL 59 CO 0.00 0.06 0.89 -2.65 0.00 0.00 0.00 175.10 173.40 3bdx n PRO 60 N 4.60 0.99 0.00 2.72 -0.02 -1.26 -4.83 135.00 137.20 3bdx n PRO 60 Ca 0.09 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3bdx n PRO 60 Cb 0.48 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3bdx n PRO 60 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3bdx n ASP 61 N 0.01 0.05 0.19 2.55 5.75 -1.26 -2.34 116.55 121.50 3bdx n ASP 61 Ca 0.12 -1.63 0.07 0.00 -0.01 0.00 0.00 54.79 53.34 3bdx n ASP 61 Cb 0.44 -0.03 0.24 0.00 -1.03 0.00 0.00 41.12 40.74 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 0.01 0.00 -5.81 0.11 3.08 -1.89 -3.42 114.38 106.45 3bdx h ARG 62 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3bdx h ARG 62 Cb 0.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 3bdx h ARG 62 CO 0.00 0.31 -0.25 -0.06 -1.07 0.00 0.00 179.97 178.90 3bdx s PHE 63 N -3.30 3.62 -0.20 3.04 0.40 -0.99 -1.80 117.98 118.76 3bdx s PHE 63 Ca 0.03 0.84 -0.14 0.00 -0.60 0.00 0.00 56.93 57.05 3bdx s PHE 63 Cb 0.08 -2.30 0.06 0.00 0.51 0.00 0.00 43.02 41.37 3bdx s PHE 63 CO 0.69 0.49 0.50 -1.54 0.70 0.00 0.00 175.22 176.06 3bdx s SER 64 N -0.47 -0.60 0.29 1.36 1.04 -0.70 -4.98 113.70 109.64 3bdx s SER 64 Ca 0.21 1.06 0.08 0.00 0.48 0.00 0.00 55.95 57.78 3bdx s SER 64 Cb -0.15 0.99 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 3bdx s SER 64 CO 0.10 -0.19 0.11 -0.83 0.98 0.00 0.00 173.24 173.41 3bdx s GLY 65 N 0.95 1.69 0.29 7.32 0.00 -1.26 -1.33 107.32 114.98 3bdx s GLY 65 Ca -0.05 -1.65 -0.19 0.00 0.00 0.00 0.00 44.72 42.82 3bdx s GLY 65 CO -0.08 -1.66 0.70 -1.35 0.00 0.00 0.00 173.10 170.71 3bdx s SER 66 N -3.79 -0.20 -0.20 1.64 1.04 -0.66 -4.52 113.70 107.01 3bdx s SER 66 Ca 0.34 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3bdx s SER 66 Cb -0.06 0.73 0.03 0.00 0.10 0.00 0.00 66.02 66.83 3bdx s SER 66 CO 0.22 -1.36 -0.15 -0.63 0.98 0.00 0.00 173.24 172.30 3bdx s ILE 67 N -3.75 1.91 -0.64 -1.02 1.01 -1.26 -0.19 121.20 117.26 3bdx s ILE 67 Ca 0.13 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.53 3bdx s ILE 67 Cb -0.05 -1.85 0.10 0.00 0.01 0.00 0.00 42.46 40.66 3bdx s ILE 67 CO 0.08 0.33 0.81 -0.62 0.00 0.00 0.00 174.94 175.54 3bdx s ASP 68 N 1.31 6.21 0.43 3.58 3.68 -0.20 -4.89 116.67 126.79 3bdx s ASP 68 Ca 0.01 -1.34 0.30 0.00 2.13 0.00 0.00 52.55 53.64 3bdx s ASP 68 Cb -0.15 -2.34 1.40 0.00 -1.45 0.00 0.00 42.92 40.37 3bdx s ASP 68 CO -0.10 -1.21 1.90 0.77 0.13 0.00 0.00 175.17 176.66 3bdx h SER 69 N 9.27 0.00 1.30 -0.34 4.64 -1.98 -0.24 113.55 126.21 3bdx h SER 69 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3bdx h SER 69 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3bdx h SER 69 CO 1.12 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.88 3bdx n SER 70 N -2.64 0.65 0.00 4.97 7.64 -1.26 -3.89 113.62 119.09 3bdx n SER 70 Ca 0.00 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.45 3bdx n SER 70 Cb 0.18 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 3bdx n SER 70 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3bdx n SER 71 N -2.12 0.34 -3.47 6.43 3.41 -0.89 -5.04 113.62 112.28 3bdx n SER 71 Ca 0.05 -0.88 -0.18 0.00 -0.26 0.00 0.00 58.87 57.60 3bdx n SER 71 Cb 0.39 0.06 0.08 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.06 -2.20 -3.74 4.04 5.15 -0.15 -4.89 115.26 113.41 3bdx n ASN 72 Ca 0.00 -0.67 -0.12 0.00 -0.60 0.00 0.00 54.58 53.19 3bdx n ASN 72 Cb 0.13 -4.91 -0.08 0.00 -0.53 0.00 0.00 39.78 34.39 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 -4.29 -0.17 0.52 1.20 1.04 -1.16 -2.87 113.70 107.98 3bdx s SER 73 Ca 0.03 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.35 3bdx s SER 73 Cb -0.01 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 3bdx s SER 73 CO 0.75 -0.56 0.83 0.00 0.98 0.00 0.00 173.24 175.24 3bdx s ALA 74 N -2.07 3.37 -0.02 5.32 0.00 0.99 -1.03 121.76 128.31 3bdx s ALA 74 Ca -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3bdx s ALA 74 Cb -0.02 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.51 3bdx s ALA 74 CO -0.00 -0.52 -0.05 -1.12 0.00 0.00 0.00 175.76 174.07 3bdx s SER 75 N -4.18 0.79 -0.24 0.00 0.01 0.73 -1.78 113.70 109.04 3bdx s SER 75 Ca 0.50 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.65 3bdx s SER 75 Cb -0.10 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 65.90 3bdx s SER 75 CO 0.45 0.00 -0.10 -0.22 0.41 0.00 0.00 173.24 173.78 3bdx s LEU 76 N 0.44 3.02 -0.07 2.44 2.96 -0.48 -1.65 118.68 125.33 3bdx s LEU 76 Ca -0.05 -0.96 0.02 0.00 -0.22 0.00 0.00 54.13 52.91 3bdx s LEU 76 Cb -0.09 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3bdx s LEU 76 CO -0.00 -0.12 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.92 3bdx s THR 77 N 1.26 3.36 -0.21 3.68 2.01 -0.44 -0.08 115.64 125.21 3bdx s THR 77 Ca -0.01 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.39 3bdx s THR 77 Cb -0.17 -2.36 0.06 0.00 0.01 0.00 0.00 72.50 70.04 3bdx s THR 77 CO -0.07 0.58 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 3bdx s ILE 78 N -0.54 1.23 0.13 1.82 1.01 -0.40 -1.72 121.20 122.73 3bdx s ILE 78 Ca 0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 3bdx s ILE 78 Cb -0.12 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 3bdx s ILE 78 CO 0.02 -0.07 0.36 -0.94 0.00 0.00 0.00 174.94 174.31 3bdx s SER 79 N 1.54 6.47 -1.25 3.58 1.04 -0.74 -2.23 113.70 122.12 3bdx s SER 79 Ca -0.03 0.55 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 3bdx s SER 79 Cb -0.18 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.87 3bdx s SER 79 CO -0.07 0.06 1.00 0.61 0.98 0.00 0.00 173.24 175.82 3bdx n GLY 80 N 0.09 -0.39 3.17 7.32 0.00 -0.95 -4.82 105.19 109.61 3bdx n GLY 80 Ca -0.03 0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.31 -1.32 -4.42 0.99 4.77 -0.79 -4.26 117.00 107.66 3bdx n LEU 81 Ca -0.23 1.03 -0.28 0.00 -0.03 0.00 0.00 56.01 56.50 3bdx n LEU 81 Cb 0.65 -0.88 -0.12 0.00 -2.33 0.00 0.00 43.42 40.74 3bdx n LEU 81 CO 0.63 -2.91 -0.54 -0.54 -1.33 0.00 0.00 177.39 172.70 3bdx s LYS 82 N -0.93 1.49 0.24 3.23 -0.14 -1.26 -0.55 119.74 121.82 3bdx s LYS 82 Ca 0.59 -1.46 -0.06 0.00 -1.36 0.00 0.00 55.97 53.69 3bdx s LYS 82 Cb -0.84 -1.88 0.33 0.00 -1.68 0.00 0.00 37.83 33.76 3bdx s LYS 82 CO 0.53 0.42 1.85 1.79 -0.76 0.00 0.00 175.35 179.18 3bdx h THR 83 N 3.43 1.03 0.00 2.17 1.35 -1.95 0.84 112.91 119.79 3bdx h THR 83 Ca -0.48 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3bdx h THR 83 Cb 1.19 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3bdx h THR 83 CO 0.45 0.17 0.00 -1.84 -0.25 0.00 0.00 175.52 174.05 3bdx n GLU 84 N -4.63 0.49 0.00 4.72 0.00 -1.26 -1.78 120.64 118.18 3bdx n GLU 84 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.41 3bdx n GLU 84 Cb 0.18 -1.28 0.31 0.00 0.00 0.00 0.00 31.44 30.66 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 -0.78 0.84 -4.67 -1.84 8.00 0.29 -4.88 116.55 113.52 3bdx n ASP 85 Ca 0.06 -0.66 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 3bdx n ASP 85 Cb 0.03 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 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 4.20 0.00 -1.24 2.12 -0.73 -4.90 118.70 115.45 3bdx s GLU 86 Ca 0.19 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.66 3bdx s GLU 86 Cb 0.18 -3.85 0.00 0.00 0.26 0.00 0.00 34.13 30.73 3bdx s GLU 86 CO 0.60 -0.78 0.00 0.00 -0.54 0.00 0.00 175.26 174.54 3bdx n ALA 87 N 6.59 0.00 -2.40 6.30 0.00 -1.20 -4.75 120.51 125.05 3bdx n ALA 87 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 3bdx n ALA 87 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.70 6.87 -0.05 0.00 1.01 -0.81 -1.74 116.67 121.25 3bdx s ASP 88 Ca 0.00 1.07 0.06 0.00 0.71 0.00 0.00 52.55 54.39 3bdx s ASP 88 Cb 0.00 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 3bdx s ASP 88 CO 0.00 0.22 -0.24 -0.31 0.21 0.00 0.00 175.17 175.06 3bdx s TYR 89 N -1.24 2.30 0.01 4.23 1.51 -0.28 -0.77 117.35 123.10 3bdx s TYR 89 Ca 0.31 -0.64 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 3bdx s TYR 89 Cb -0.17 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3bdx s TYR 89 CO 0.17 -0.18 -0.18 0.71 -1.11 0.00 0.00 175.55 174.97 3bdx s TYR 90 N -0.21 1.59 0.11 2.71 2.02 -0.55 -0.20 117.35 122.81 3bdx s TYR 90 Ca -0.01 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 3bdx s TYR 90 Cb -0.13 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 3bdx s TYR 90 CO 0.03 0.01 0.05 0.00 -1.57 0.00 0.00 175.55 174.07 3bdx s GLN 92 N -2.55 0.49 0.00 0.00 -0.44 -0.07 -0.53 119.66 116.56 3bdx s GLN 92 Ca 0.28 0.08 0.00 0.00 -2.50 0.00 0.00 55.36 53.22 3bdx s GLN 92 Cb -0.11 0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.48 3bdx s GLN 92 CO 0.21 -0.11 0.00 0.45 0.50 0.00 0.00 175.29 176.34 3bdx n SER 93 N 2.10 0.00 -4.38 6.67 2.88 -0.67 -0.89 113.62 119.33 3bdx n SER 93 Ca -0.17 -0.80 -0.24 0.00 -1.33 0.00 0.00 58.87 56.32 3bdx n SER 93 Cb 0.57 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 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 -3.43 1.92 0.14 0.66 2.02 -1.26 -1.07 117.35 116.33 3bdx s TYR 94 Ca 0.00 -1.05 0.01 0.00 -0.37 0.00 0.00 57.07 55.66 3bdx s TYR 94 Cb 0.00 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 3bdx s TYR 94 CO 0.00 -0.05 0.06 -0.40 -1.57 0.00 0.00 175.55 173.59 3bdx n ASP 95 N -0.96 1.89 -0.14 2.29 5.75 -0.71 -4.81 116.55 119.86 3bdx n ASP 95 Ca -0.05 -1.54 -0.04 0.00 -0.01 0.00 0.00 54.79 53.15 3bdx n ASP 95 Cb 0.66 0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.82 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 0.24 -0.40 -0.21 -1.12 0.02 -1.99 -0.10 113.55 109.99 3bdx h SER 96 Ca -0.10 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3bdx h SER 96 Cb 0.33 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3bdx h SER 96 CO 0.16 -0.14 0.04 -1.20 -1.14 0.00 0.00 176.83 174.55 3bdx n SER 97 N -5.32 2.65 -3.36 3.07 7.64 -1.26 -4.88 113.62 112.16 3bdx n SER 97 Ca 0.03 -2.34 -0.24 0.00 1.01 0.00 0.00 58.87 57.33 3bdx n SER 97 Cb 0.24 -0.57 0.04 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.15 -5.62 -4.81 6.43 5.03 -0.05 -5.00 115.26 111.39 3bdx n ASN 98 Ca 0.11 -0.44 -0.38 0.00 0.87 0.00 0.00 54.58 54.73 3bdx n ASN 98 Cb 0.62 -4.51 -0.06 0.00 -1.02 0.00 0.00 39.78 34.81 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 -3.20 3.80 0.19 3.10 3.76 -1.26 -4.74 115.29 116.95 3bdx s HIS 99 Ca 0.45 1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 56.31 3bdx s HIS 99 Cb -0.21 -2.48 -0.08 0.00 1.11 0.00 0.00 32.58 30.92 3bdx s HIS 99 CO 0.55 0.59 1.17 0.08 -0.85 0.00 0.00 174.74 176.29 3bdx s VAL 100 N -1.12 3.61 -0.15 -0.90 1.01 -1.26 -1.74 120.40 119.84 3bdx s VAL 100 Ca 0.29 1.38 -0.00 0.00 0.00 0.00 0.00 61.98 63.65 3bdx s VAL 100 Cb -0.19 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3bdx s VAL 100 CO 0.19 0.23 -0.07 -0.69 0.00 0.00 0.00 175.10 174.76 3bdx s VAL 101 N -0.19 1.15 0.04 2.92 1.01 -0.24 -4.98 120.40 120.12 3bdx s VAL 101 Ca 0.51 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 3bdx s VAL 101 Cb -0.32 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3bdx s VAL 101 CO 0.37 0.22 0.29 -0.36 0.00 0.00 0.00 175.10 175.62 3bdx s PHE 102 N 1.63 3.56 0.90 5.22 0.40 -1.26 -1.66 117.98 126.77 3bdx s PHE 102 Ca 0.02 0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 56.78 3bdx s PHE 102 Cb -0.14 -1.99 0.17 0.00 0.51 0.00 0.00 43.02 41.57 3bdx s PHE 102 CO -0.08 0.58 1.25 0.20 0.70 0.00 0.00 175.22 177.87 3bdx s GLY 103 N -1.88 1.75 0.03 4.36 0.00 0.31 -4.40 107.32 107.49 3bdx s GLY 103 Ca 0.31 -1.20 0.26 0.00 0.00 0.00 0.00 44.72 44.09 3bdx s GLY 103 CO 0.19 -0.50 1.83 0.61 0.00 0.00 0.00 173.10 175.23 3bdx n GLY 104 N -3.57 -1.44 0.00 0.20 0.00 -1.22 -4.78 105.19 94.39 3bdx n GLY 104 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.19 -1.38 2.97 -0.02 0.00 -1.26 -5.03 105.19 101.66 3bdx n GLY 105 Ca 0.06 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.32 0.97 -0.30 2.61 2.01 0.71 -4.83 115.64 113.49 3bdx s THR 106 Ca 0.00 -0.35 -0.27 0.00 0.31 0.00 0.00 61.69 61.38 3bdx s THR 106 Cb 0.00 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.59 3bdx s THR 106 CO 0.00 0.33 0.94 -0.75 -0.69 0.00 0.00 174.62 174.45 3bdx s LYS 107 N 0.95 4.06 -0.19 4.92 2.47 -1.26 -1.13 119.74 129.55 3bdx s LYS 107 Ca -0.10 0.92 -0.12 0.00 -1.56 0.00 0.00 55.97 55.11 3bdx s LYS 107 Cb -0.15 -3.71 -0.05 0.00 -1.46 0.00 0.00 37.83 32.46 3bdx s LYS 107 CO 0.00 -0.76 0.20 -1.17 0.16 0.00 0.00 175.35 173.79 3bdx s LEU 108 N 3.27 4.20 -0.20 5.43 2.96 -0.71 0.12 118.68 133.75 3bdx s LEU 108 Ca 0.40 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3bdx s LEU 108 Cb -0.13 -2.21 0.04 0.00 0.50 0.00 0.00 46.19 44.38 3bdx s LEU 108 CO 0.12 0.12 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.24 3bdx s THR 109 N 0.56 1.94 -0.32 3.68 2.01 0.18 -3.27 115.64 120.44 3bdx s THR 109 Ca 0.11 -1.13 -0.18 0.00 0.31 0.00 0.00 61.69 60.80 3bdx s THR 109 Cb -0.12 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 3bdx s THR 109 CO 0.01 0.28 0.53 -0.69 -0.69 0.00 0.00 174.62 174.07 3bdx s VAL 110 N 1.28 5.02 -2.00 3.82 1.01 -1.26 -1.23 120.40 127.04 3bdx s VAL 110 Ca -0.00 0.59 0.20 0.00 0.00 0.00 0.00 61.98 62.76 3bdx s VAL 110 Cb -0.16 -3.93 0.56 0.00 0.00 0.00 0.00 36.38 32.85 3bdx s VAL 110 CO -0.09 -0.11 1.56 0.18 0.00 0.00 0.00 175.10 176.64