#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb3 s VAL 2 N 0.00 2.72 -0.05 6.31 1.01 -1.26 -4.13 120.40 125.00 3hb3 s VAL 2 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 3hb3 s VAL 2 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.03 3hb3 s VAL 2 CO 0.00 0.08 0.12 -0.75 0.00 0.00 0.00 175.10 174.55 3hb3 s LYS 3 N 0.12 0.14 -0.06 2.72 2.47 -0.06 -5.00 119.74 120.06 3hb3 s LYS 3 Ca 0.62 0.20 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 3hb3 s LYS 3 Cb -0.42 0.04 0.02 0.00 -1.46 0.00 0.00 37.83 36.01 3hb3 s LYS 3 CO 0.39 -0.04 -0.05 -0.51 0.16 0.00 0.00 175.35 175.30 3hb3 s LEU 4 N 0.21 1.19 -0.23 5.43 1.43 -1.26 -2.08 118.68 123.37 3hb3 s LEU 4 Ca -0.01 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3hb3 s LEU 4 Cb -0.02 -0.56 0.07 0.00 0.03 0.00 0.00 46.19 45.71 3hb3 s LEU 4 CO -0.01 -0.08 0.05 -1.58 0.23 0.00 0.00 176.35 174.97 3hb3 s GLN 5 N 1.23 0.66 0.19 1.70 2.00 -0.79 -3.92 119.66 120.74 3hb3 s GLN 5 Ca -0.06 -0.60 -0.02 0.00 -2.00 0.00 0.00 55.36 52.68 3hb3 s GLN 5 Cb -0.14 -2.02 -0.05 0.00 0.80 0.00 0.00 33.01 31.60 3hb3 s GLN 5 CO -0.02 -0.75 0.40 -1.83 -0.50 0.00 0.00 175.29 172.59 3hb3 s GLU 6 N 1.81 3.56 0.07 1.67 1.03 -1.26 0.02 118.70 125.59 3hb3 s GLU 6 Ca 0.02 -0.24 -0.11 0.00 0.03 0.00 0.00 54.97 54.67 3hb3 s GLU 6 Cb -0.17 -2.83 0.01 0.00 -0.80 0.00 0.00 34.13 30.34 3hb3 s GLU 6 CO -0.14 0.40 0.25 -1.54 -1.33 0.00 0.00 175.26 172.90 3hb3 s SER 7 N -2.96 -0.01 0.00 0.83 1.04 0.13 -4.73 113.70 108.00 3hb3 s SER 7 Ca 0.40 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3hb3 s SER 7 Cb -0.11 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3hb3 s SER 7 CO 0.28 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3hb3 n GLY 8 N 0.24 1.07 0.00 7.32 0.00 -1.26 0.96 105.19 113.51 3hb3 n GLY 8 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hb3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb3 n GLY 9 N 0.00 0.87 3.16 -0.02 0.00 -1.26 -4.52 105.19 103.42 3hb3 n GLY 9 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3hb3 n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hb3 s ASP 10 N -1.31 0.37 -0.33 1.61 -1.08 -0.92 -4.83 116.67 110.17 3hb3 s ASP 10 Ca 0.00 -1.22 0.09 0.00 -0.52 0.00 0.00 52.55 50.90 3hb3 s ASP 10 Cb 0.00 0.29 0.72 0.00 -1.46 0.00 0.00 42.92 42.47 3hb3 s ASP 10 CO 0.00 -0.72 1.80 -0.11 0.52 0.00 0.00 175.17 176.66 3hb3 n LEU 11 N -0.12 6.12 0.00 -1.34 7.94 -1.26 -2.24 117.00 126.09 3hb3 n LEU 11 Ca -0.05 -3.19 0.00 0.00 -1.11 0.00 0.00 56.01 51.66 3hb3 n LEU 11 Cb 0.64 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.83 3hb3 n LEU 11 CO 0.31 0.82 0.00 1.33 -1.11 0.00 0.00 177.39 178.75 3hb3 n VAL 12 N -0.25 0.00 -3.92 1.96 0.24 -1.19 -4.60 118.33 110.58 3hb3 n VAL 12 Ca 0.42 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.61 3hb3 n VAL 12 Cb 1.41 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 33.65 3hb3 n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hb3 s GLN 13 N -0.43 0.12 0.29 7.34 -0.21 -1.26 -3.14 119.66 122.37 3hb3 s GLN 13 Ca 0.00 -0.19 -0.28 0.00 0.02 0.00 0.00 55.36 54.91 3hb3 s GLN 13 Cb 0.00 -0.00 -0.14 0.00 1.00 0.00 0.00 33.01 33.87 3hb3 s GLN 13 CO 0.00 -0.01 0.96 -2.30 -2.12 0.00 0.00 175.29 171.83 3hb3 n PRO 14 N 2.64 1.24 0.00 2.91 -0.02 -1.26 0.10 135.00 140.61 3hb3 n PRO 14 Ca -0.16 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3hb3 n PRO 14 Cb 0.58 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3hb3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hb3 n GLY 15 N 1.28 2.94 0.00 -1.23 0.00 -0.97 -4.91 105.19 102.29 3hb3 n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hb3 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb3 n GLY 16 N -1.53 -1.59 3.26 -0.02 0.00 0.28 -3.67 105.19 101.92 3hb3 n GLY 16 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 3hb3 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hb3 s SER 17 N -1.19 -0.08 -0.27 1.61 1.04 -1.26 -0.72 113.70 112.83 3hb3 s SER 17 Ca 0.00 -0.40 -0.28 0.00 0.48 0.00 0.00 55.95 55.75 3hb3 s SER 17 Cb 0.00 0.39 0.18 0.00 0.10 0.00 0.00 66.02 66.70 3hb3 s SER 17 CO 0.00 -0.74 1.32 -0.22 0.98 0.00 0.00 173.24 174.58 3hb3 s LEU 18 N -2.62 -0.10 -0.11 2.42 2.96 0.09 -4.95 118.68 116.37 3hb3 s LEU 18 Ca 0.02 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3hb3 s LEU 18 Cb 0.02 1.22 0.02 0.00 0.50 0.00 0.00 46.19 47.95 3hb3 s LEU 18 CO -0.09 -0.07 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.01 3hb3 s LYS 19 N -0.74 1.79 0.24 1.98 2.20 -1.26 0.15 119.74 124.10 3hb3 s LYS 19 Ca 0.07 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 3hb3 s LYS 19 Cb -0.02 -1.68 -0.04 0.00 -1.51 0.00 0.00 37.83 34.58 3hb3 s LYS 19 CO -0.08 -0.17 0.42 -0.51 -0.36 0.00 0.00 175.35 174.64 3hb3 s LEU 20 N 1.36 4.20 0.04 5.43 1.43 0.98 -4.68 118.68 127.44 3hb3 s LEU 20 Ca -0.01 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 3hb3 s LEU 20 Cb -0.14 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 3hb3 s LEU 20 CO -0.05 -0.10 -0.09 -0.44 0.23 0.00 0.00 176.35 175.89 3hb3 s SER 21 N -3.50 1.07 -0.05 2.29 0.01 0.27 -1.10 113.70 112.70 3hb3 s SER 21 Ca 0.38 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 3hb3 s SER 21 Cb -0.10 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.15 3hb3 s SER 21 CO 0.30 -0.12 0.02 0.00 0.41 0.00 0.00 173.24 173.85 3hb3 s ALA 23 N 1.66 3.53 -0.19 0.00 0.00 0.10 -0.44 121.76 126.42 3hb3 s ALA 23 Ca -0.01 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 3hb3 s ALA 23 Cb -0.13 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3hb3 s ALA 23 CO -0.03 -0.59 0.09 0.00 0.00 0.00 0.00 175.76 175.23 3hb3 s ALA 24 N 1.77 3.54 0.10 0.00 0.00 0.71 -1.88 121.76 126.01 3hb3 s ALA 24 Ca 0.07 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3hb3 s ALA 24 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3hb3 s ALA 24 CO 0.11 0.19 -0.08 -1.54 0.00 0.00 0.00 175.76 174.44 3hb3 s SER 25 N 0.29 1.30 0.00 0.00 1.04 -0.88 -4.80 113.70 110.65 3hb3 s SER 25 Ca 0.06 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3hb3 s SER 25 Cb -0.12 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3hb3 s SER 25 CO -0.01 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3hb3 n GLY 26 N 0.18 1.16 3.64 7.32 0.00 -1.26 -0.88 105.19 115.36 3hb3 n GLY 26 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 3hb3 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hb3 s PHE 27 N -2.00 -0.09 -0.74 1.61 -0.71 -1.26 -4.43 117.98 110.35 3hb3 s PHE 27 Ca 0.00 -0.05 -0.26 0.00 -1.04 0.00 0.00 56.93 55.58 3hb3 s PHE 27 Cb 0.00 0.56 0.01 0.00 -1.21 0.00 0.00 43.02 42.38 3hb3 s PHE 27 CO 0.00 -0.42 1.57 0.99 -1.34 0.00 0.00 175.22 176.02 3hb3 s THR 28 N -2.68 3.59 0.15 -4.49 2.01 -1.26 -4.88 115.64 108.09 3hb3 s THR 28 Ca 0.12 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 3hb3 s THR 28 Cb 0.02 -4.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.00 3hb3 s THR 28 CO -0.03 -1.45 1.56 0.15 -0.69 0.00 0.00 174.62 174.16 3hb3 h PHE 29 N 11.87 -1.48 0.00 4.92 3.57 -1.96 -1.67 116.94 132.19 3hb3 h PHE 29 Ca -0.18 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3hb3 h PHE 29 Cb 1.08 0.72 0.00 0.00 2.79 0.00 0.00 35.95 40.55 3hb3 h PHE 29 CO 1.12 -0.44 0.00 -1.13 -2.23 0.00 0.00 178.31 175.63 3hb3 n SER 30 N -5.38 0.00 0.02 0.41 3.41 -1.26 -1.94 113.62 108.88 3hb3 n SER 30 Ca -0.00 -1.00 0.11 0.00 -0.26 0.00 0.00 58.87 57.72 3hb3 n SER 30 Cb 0.34 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 3hb3 n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hb3 n SER 31 N -0.57 0.62 -4.42 4.04 7.64 -0.63 -4.69 113.62 115.62 3hb3 n SER 31 Ca 0.02 -0.36 -0.26 0.00 1.01 0.00 0.00 58.87 59.28 3hb3 n SER 31 Cb 0.01 0.94 -0.12 0.00 -1.01 0.00 0.00 64.21 64.03 3hb3 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hb3 s TYR 32 N -3.18 2.28 -0.07 1.43 1.51 -0.82 -4.99 117.35 113.51 3hb3 s TYR 32 Ca 0.04 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3hb3 s TYR 32 Cb 0.15 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 3hb3 s TYR 32 CO 0.82 0.51 0.06 0.99 -1.11 0.00 0.00 175.55 176.81 3hb3 s THR 33 N -1.74 4.71 0.03 -0.71 2.01 -1.26 -4.36 115.64 114.31 3hb3 s THR 33 Ca 0.21 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 3hb3 s THR 33 Cb -0.08 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 3hb3 s THR 33 CO 0.10 0.53 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.51 3hb3 s MET 34 N -1.18 0.41 0.14 4.92 1.00 -1.02 -1.11 119.30 122.45 3hb3 s MET 34 Ca 0.17 -0.76 -0.04 0.00 0.00 0.00 0.00 55.69 55.07 3hb3 s MET 34 Cb -0.12 0.15 -0.03 0.00 0.00 0.00 0.00 34.83 34.83 3hb3 s MET 34 CO 0.06 -0.08 0.13 -1.12 0.00 0.00 0.00 175.02 174.01 3hb3 s SER 35 N -1.86 0.23 -0.05 3.03 0.01 0.41 -0.88 113.70 114.58 3hb3 s SER 35 Ca -0.10 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.11 3hb3 s SER 35 Cb -0.05 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.49 3hb3 s SER 35 CO -0.03 -0.78 -0.15 0.26 0.41 0.00 0.00 173.24 172.95 3hb3 s TRP 36 N -4.02 2.69 -0.03 2.43 0.52 -0.39 -0.22 118.94 119.93 3hb3 s TRP 36 Ca 0.21 -0.20 -0.00 0.00 0.02 0.00 0.00 56.10 56.13 3hb3 s TRP 36 Cb 0.06 -1.64 0.03 0.00 -1.15 0.00 0.00 33.47 30.78 3hb3 s TRP 36 CO 0.01 0.15 0.04 0.08 0.02 0.00 0.00 176.95 177.25 3hb3 s VAL 37 N -0.65 -0.06 0.03 4.03 1.01 -0.78 -1.18 120.40 122.79 3hb3 s VAL 37 Ca 0.10 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.36 3hb3 s VAL 37 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3hb3 s VAL 37 CO 0.01 0.09 -0.16 0.00 0.00 0.00 0.00 175.10 175.03 3hb3 s ARG 38 N 1.10 2.18 -0.30 2.72 1.70 0.81 -0.08 118.95 127.08 3hb3 s ARG 38 Ca -0.09 -0.92 -0.09 0.00 -0.47 0.00 0.00 55.73 54.17 3hb3 s ARG 38 Cb -0.13 -2.24 -0.01 0.00 -0.57 0.00 0.00 34.95 32.00 3hb3 s ARG 38 CO -0.03 0.56 0.12 -1.14 -1.08 0.00 0.00 175.30 173.73 3hb3 s GLN 39 N -1.34 3.32 1.02 3.89 0.74 0.10 0.01 119.66 127.40 3hb3 s GLN 39 Ca 0.15 -0.72 -0.14 0.00 0.05 0.00 0.00 55.36 54.70 3hb3 s GLN 39 Cb -0.11 -3.49 0.20 0.00 1.10 0.00 0.00 33.01 30.72 3hb3 s GLN 39 CO 0.05 -0.39 1.11 0.95 -0.55 0.00 0.00 175.29 176.46 3hb3 s THR 40 N 1.59 1.93 0.24 -0.34 -4.23 -0.66 -1.48 115.64 112.69 3hb3 s THR 40 Ca 0.04 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.80 3hb3 s THR 40 Cb -0.17 -2.56 0.24 0.00 1.34 0.00 0.00 72.50 71.36 3hb3 s THR 40 CO 0.05 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.38 3hb3 h PRO 41 N -1.96 0.00 -0.18 3.99 0.11 -1.91 0.33 132.00 132.39 3hb3 h PRO 41 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hb3 h PRO 41 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hb3 h PRO 41 CO 0.54 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 178.93 3hb3 n GLU 42 N -3.49 1.36 -1.94 1.05 4.71 -1.26 -4.91 120.64 116.17 3hb3 n GLU 42 Ca -0.01 -0.55 -0.07 0.00 -0.01 0.00 0.00 57.16 56.53 3hb3 n GLU 42 Cb 0.37 -1.13 -0.01 0.00 -1.01 0.00 0.00 31.44 29.66 3hb3 n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3hb3 n LYS 43 N -0.05 -0.54 -3.23 3.49 4.76 0.12 -5.03 118.16 117.67 3hb3 n LYS 43 Ca 0.05 0.42 -0.39 0.00 -2.87 0.00 0.00 58.31 55.53 3hb3 n LYS 43 Cb 0.14 -4.29 -0.06 0.00 -1.84 0.00 0.00 35.03 28.98 3hb3 n LYS 43 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3hb3 s ARG 44 N -3.99 4.27 -0.11 1.97 3.52 -1.25 -4.87 118.95 118.49 3hb3 s ARG 44 Ca 0.00 0.73 -0.19 0.00 -0.13 0.00 0.00 55.73 56.13 3hb3 s ARG 44 Cb 0.00 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3hb3 s ARG 44 CO 0.00 0.47 0.53 -0.51 -0.81 0.00 0.00 175.30 174.97 3hb3 s LEU 45 N -0.52 4.28 -0.02 -0.88 1.43 -1.26 -1.65 118.68 120.06 3hb3 s LEU 45 Ca 0.30 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3hb3 s LEU 45 Cb -0.19 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 3hb3 s LEU 45 CO 0.18 -0.04 -0.12 -0.70 0.23 0.00 0.00 176.35 175.90 3hb3 s GLU 46 N 0.73 1.11 -0.32 1.70 2.12 0.10 -4.96 118.70 119.18 3hb3 s GLU 46 Ca 0.28 -0.44 -0.10 0.00 0.36 0.00 0.00 54.97 55.07 3hb3 s GLU 46 Cb -0.16 -1.05 -0.01 0.00 0.26 0.00 0.00 34.13 33.18 3hb3 s GLU 46 CO 0.12 0.23 0.18 -0.46 -0.54 0.00 0.00 175.26 174.79 3hb3 s TRP 47 N -0.14 3.19 -0.14 5.30 -0.11 -1.26 -0.13 118.94 125.65 3hb3 s TRP 47 Ca 0.02 -0.50 0.19 0.00 1.22 0.00 0.00 56.10 57.03 3hb3 s TRP 47 Cb -0.07 -2.39 -0.26 0.00 -1.50 0.00 0.00 33.47 29.26 3hb3 s TRP 47 CO 0.00 -0.44 0.30 1.55 -4.62 0.00 0.00 176.95 173.74 3hb3 n VAL 48 N 5.01 0.99 -3.54 5.86 3.14 -0.32 -4.50 118.33 124.97 3hb3 n VAL 48 Ca -0.13 -0.74 -0.08 0.00 -2.96 0.00 0.00 64.34 60.43 3hb3 n VAL 48 Cb 0.49 -0.39 -0.02 0.00 -1.06 0.00 0.00 33.84 32.86 3hb3 n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hb3 s ALA 49 N -2.83 -1.90 -0.12 1.55 0.00 -1.10 -4.11 121.76 113.25 3hb3 s ALA 49 Ca -0.08 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 3hb3 s ALA 49 Cb 0.09 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.39 3hb3 s ALA 49 CO 0.85 -0.62 0.45 -1.12 0.00 0.00 0.00 175.76 175.32 3hb3 s SER 50 N -2.24 -0.43 0.05 0.00 0.01 -0.60 -1.26 113.70 109.24 3hb3 s SER 50 Ca 0.05 0.68 0.04 0.00 1.31 0.00 0.00 55.95 58.03 3hb3 s SER 50 Cb -0.01 0.73 -0.03 0.00 0.21 0.00 0.00 66.02 66.92 3hb3 s SER 50 CO -0.07 -0.29 -0.11 -0.51 0.41 0.00 0.00 173.24 172.68 3hb3 s ILE 51 N -0.34 0.80 0.42 1.44 2.07 -0.06 -1.44 121.20 124.09 3hb3 s ILE 51 Ca -0.05 -1.15 -0.07 0.00 -1.41 0.00 0.00 60.65 57.97 3hb3 s ILE 51 Cb -0.03 -0.81 0.10 0.00 0.13 0.00 0.00 42.46 41.84 3hb3 s ILE 51 CO 0.03 -0.29 0.57 -0.46 -1.91 0.00 0.00 174.94 172.88 3hb3 n ASN 52 N 1.44 0.06 0.28 4.50 6.94 -0.33 -2.44 115.26 125.71 3hb3 n ASN 52 Ca -0.22 -1.22 -0.16 0.00 -0.02 0.00 0.00 54.58 52.96 3hb3 n ASN 52 Cb 0.54 -0.44 -0.08 0.00 -2.36 0.00 0.00 39.78 37.45 3hb3 n ASN 52 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 3hb3 h ASN 53 N -0.74 -0.89 1.26 0.53 4.21 -1.87 -3.14 115.58 114.94 3hb3 h ASN 53 Ca -0.19 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.39 3hb3 h ASN 53 Cb 0.51 0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 3hb3 h ASN 53 CO 0.13 -0.51 -0.54 1.23 -1.29 0.00 0.00 177.43 176.45 3hb3 h GLY 54 N -0.79 0.00 0.00 2.83 0.00 -1.90 -3.45 103.07 99.75 3hb3 h GLY 54 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3hb3 h GLY 54 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3hb3 n GLY 55 N 1.22 0.79 0.00 4.60 0.00 -1.19 -4.98 105.19 105.64 3hb3 n GLY 55 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3hb3 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb3 n GLY 56 N -0.92 -1.00 2.79 -0.02 0.00 -1.26 -4.69 105.19 100.09 3hb3 n GLY 56 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 3hb3 n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hb3 s ARG 57 N -2.84 0.24 0.13 1.61 1.81 -1.26 -5.03 118.95 113.61 3hb3 s ARG 57 Ca 0.11 0.13 0.05 0.00 -1.72 0.00 0.00 55.73 54.30 3hb3 s ARG 57 Cb 0.11 -0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 34.07 3hb3 s ARG 57 CO 0.29 -0.18 -0.11 0.95 -0.68 0.00 0.00 175.30 175.57 3hb3 s THR 58 N 1.26 1.17 -0.03 0.02 -4.23 -1.26 -1.19 115.64 111.39 3hb3 s THR 58 Ca -0.06 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 3hb3 s THR 58 Cb -0.13 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.10 3hb3 s THR 58 CO -0.02 -0.59 0.18 -0.31 -0.54 0.00 0.00 174.62 173.34 3hb3 s TYR 59 N -2.70 -0.07 -0.18 3.99 2.02 -0.52 -4.97 117.35 114.92 3hb3 s TYR 59 Ca 0.11 0.14 -0.19 0.00 -0.37 0.00 0.00 57.07 56.76 3hb3 s TYR 59 Cb -0.01 0.01 0.05 0.00 -0.40 0.00 0.00 41.96 41.61 3hb3 s TYR 59 CO 0.01 -0.23 0.53 0.71 -1.57 0.00 0.00 175.55 175.00 3hb3 s TYR 60 N -0.86 -0.57 0.97 2.71 2.02 -1.26 -1.55 117.35 118.81 3hb3 s TYR 60 Ca -0.09 1.34 -0.11 0.00 -0.37 0.00 0.00 57.07 57.83 3hb3 s TYR 60 Cb -0.05 0.21 0.17 0.00 -0.40 0.00 0.00 41.96 41.89 3hb3 s TYR 60 CO 0.01 -0.32 1.09 -1.25 -1.57 0.00 0.00 175.55 173.52 3hb3 s PRO 61 N 0.07 0.62 0.31 -1.71 0.04 -1.26 -4.83 135.00 128.24 3hb3 s PRO 61 Ca -0.02 1.00 0.14 0.00 0.04 0.00 0.00 61.00 62.17 3hb3 s PRO 61 Cb -0.04 -1.72 0.44 0.00 0.04 0.00 0.00 34.50 33.22 3hb3 s PRO 61 CO 0.02 -2.73 1.63 -0.44 0.04 0.00 0.00 177.00 175.52 3hb3 h ASP 62 N -1.91 0.00 -0.62 6.66 3.32 -1.97 -1.30 116.42 120.59 3hb3 h ASP 62 Ca -0.51 0.00 0.18 0.00 0.02 0.00 0.00 57.03 56.72 3hb3 h ASP 62 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 3hb3 h ASP 62 CO 0.50 0.53 0.91 0.71 -1.72 0.00 0.00 179.24 180.17 3hb3 h THR 63 N 0.00 0.09 0.00 0.35 1.35 -2.00 -3.09 112.91 109.61 3hb3 h THR 63 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3hb3 h THR 63 Cb 1.07 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3hb3 h THR 63 CO 0.07 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.67 3hb3 n VAL 64 N -3.21 0.00 -1.75 6.82 0.24 -1.11 -5.04 118.33 114.28 3hb3 n VAL 64 Ca 0.13 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 3hb3 n VAL 64 Cb 1.11 1.43 -0.01 0.00 -1.47 0.00 0.00 33.84 34.90 3hb3 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3hb3 n LYS 65 N -0.09 2.59 0.00 7.34 4.81 -0.51 -0.58 118.16 131.73 3hb3 n LYS 65 Ca 0.00 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 3hb3 n LYS 65 Cb 0.11 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.50 3hb3 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hb3 n GLY 66 N 1.46 3.12 0.09 3.14 0.00 -1.26 -4.83 105.19 106.90 3hb3 n GLY 66 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hb3 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb3 n ARG 67 N -1.93 0.42 -3.61 1.61 1.74 0.25 -4.94 116.66 110.21 3hb3 n ARG 67 Ca 0.00 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.80 3hb3 n ARG 67 Cb 0.00 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3hb3 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hb3 s PHE 68 N -2.33 3.62 -0.16 -1.55 0.40 -0.91 -2.29 117.98 114.75 3hb3 s PHE 68 Ca -0.23 0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 56.87 3hb3 s PHE 68 Cb 0.06 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 3hb3 s PHE 68 CO 0.39 0.56 -0.13 0.99 0.70 0.00 0.00 175.22 177.73 3hb3 s THR 69 N -0.64 2.94 0.00 0.64 2.01 -0.47 -4.92 115.64 115.21 3hb3 s THR 69 Ca 0.20 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.39 3hb3 s THR 69 Cb -0.14 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 3hb3 s THR 69 CO 0.08 0.51 0.38 -0.51 -0.69 0.00 0.00 174.62 174.39 3hb3 s ILE 70 N 0.73 5.09 0.15 1.82 2.07 -1.26 -0.82 121.20 128.98 3hb3 s ILE 70 Ca -0.06 0.70 -0.14 0.00 -1.41 0.00 0.00 60.65 59.74 3hb3 s ILE 70 Cb -0.15 -3.67 0.02 0.00 0.13 0.00 0.00 42.46 38.79 3hb3 s ILE 70 CO 0.02 0.53 0.39 -0.94 -1.91 0.00 0.00 174.94 173.02 3hb3 s SER 71 N -1.21 -0.13 -0.01 4.50 1.04 -0.96 -5.02 113.70 111.90 3hb3 s SER 71 Ca 0.25 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 3hb3 s SER 71 Cb -0.16 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3hb3 s SER 71 CO 0.13 -0.91 0.12 0.00 0.98 0.00 0.00 173.24 173.56 3hb3 s ARG 72 N -3.87 0.36 -0.30 4.02 1.70 -1.26 -0.91 118.95 118.69 3hb3 s ARG 72 Ca 0.08 -0.24 0.01 0.00 -0.47 0.00 0.00 55.73 55.11 3hb3 s ARG 72 Cb 0.02 0.15 0.07 0.00 -0.57 0.00 0.00 34.95 34.62 3hb3 s ARG 72 CO -0.06 -0.08 -0.01 0.34 -1.08 0.00 0.00 175.30 174.41 3hb3 s ASP 73 N -0.94 4.75 0.00 -2.89 -1.08 0.21 -4.95 116.67 111.78 3hb3 s ASP 73 Ca -0.10 -1.55 0.24 0.00 -0.52 0.00 0.00 52.55 50.62 3hb3 s ASP 73 Cb -0.06 -1.65 1.10 0.00 -1.46 0.00 0.00 42.92 40.85 3hb3 s ASP 73 CO 0.01 -0.29 1.75 0.59 0.52 0.00 0.00 175.17 177.75 3hb3 n ASN 74 N 4.49 0.98 -0.04 -0.34 3.02 -1.26 0.27 115.26 122.38 3hb3 n ASN 74 Ca -0.09 -1.47 -0.09 0.00 -0.03 0.00 0.00 54.58 52.89 3hb3 n ASN 74 Cb 0.42 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.41 3hb3 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hb3 n ALA 75 N -0.18 1.49 0.31 5.41 0.00 -1.26 -4.39 120.51 121.90 3hb3 n ALA 75 Ca 0.18 -0.88 0.04 0.00 0.00 0.00 0.00 53.44 52.78 3hb3 n ALA 75 Cb 0.24 -0.72 0.04 0.00 0.00 0.00 0.00 19.45 19.02 3hb3 n ALA 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hb3 n LYS 76 N -2.99 0.39 -3.46 0.00 5.02 -0.94 -4.99 118.16 111.19 3hb3 n LYS 76 Ca -0.20 -1.08 -0.20 0.00 -2.02 0.00 0.00 58.31 54.81 3hb3 n LYS 76 Cb 1.07 -1.17 0.08 0.00 -0.02 0.00 0.00 35.03 35.00 3hb3 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hb3 n ASN 77 N 0.46 -4.55 -4.14 4.39 3.02 0.14 -4.85 115.26 109.73 3hb3 n ASN 77 Ca 0.05 -0.54 -0.22 0.00 -0.03 0.00 0.00 54.58 53.85 3hb3 n ASN 77 Cb 0.23 -4.81 -0.14 0.00 -0.61 0.00 0.00 39.78 34.44 3hb3 n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hb3 s THR 78 N -3.32 1.20 -0.08 3.41 -4.23 -0.69 -0.21 115.64 111.73 3hb3 s THR 78 Ca 0.34 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3hb3 s THR 78 Cb -0.15 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3hb3 s THR 78 CO 0.69 0.18 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.66 3hb3 s LEU 79 N -0.78 3.17 0.09 4.79 2.96 0.42 0.67 118.68 130.00 3hb3 s LEU 79 Ca 0.04 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.01 3hb3 s LEU 79 Cb -0.07 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3hb3 s LEU 79 CO 0.00 0.34 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.82 3hb3 s TYR 80 N -0.68 2.14 -0.33 5.38 2.02 -0.09 0.17 117.35 125.97 3hb3 s TYR 80 Ca 0.10 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 3hb3 s TYR 80 Cb -0.11 -1.21 0.10 0.00 -0.40 0.00 0.00 41.96 40.34 3hb3 s TYR 80 CO 0.02 0.22 0.11 -1.17 -1.57 0.00 0.00 175.55 173.16 3hb3 s LEU 81 N -1.68 2.52 -0.61 -1.29 2.96 -0.26 -2.27 118.68 118.05 3hb3 s LEU 81 Ca 0.11 -1.79 -0.27 0.00 -0.22 0.00 0.00 54.13 51.95 3hb3 s LEU 81 Cb -0.10 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.65 3hb3 s LEU 81 CO 0.04 -0.40 1.51 -1.58 -1.32 0.00 0.00 176.35 174.61 3hb3 s GLN 82 N 1.42 3.09 0.10 1.98 2.00 0.00 -0.02 119.66 128.23 3hb3 s GLN 82 Ca 0.11 0.35 0.02 0.00 -2.00 0.00 0.00 55.36 53.83 3hb3 s GLN 82 Cb -0.18 -4.21 -0.04 0.00 0.80 0.00 0.00 33.01 29.38 3hb3 s GLN 82 CO -0.21 -2.21 0.21 -1.64 -0.50 0.00 0.00 175.29 170.94 3hb3 s MET 83 N 5.99 3.30 0.17 1.67 -1.94 0.39 -1.36 119.30 127.52 3hb3 s MET 83 Ca 0.53 -0.57 -0.12 0.00 -1.71 0.00 0.00 55.69 53.81 3hb3 s MET 83 Cb -0.11 -2.93 0.01 0.00 2.01 0.00 0.00 34.83 33.81 3hb3 s MET 83 CO 0.21 0.56 0.37 -1.54 -0.01 0.00 0.00 175.02 174.62 3hb3 s SER 84 N -2.78 -0.07 -1.48 3.03 1.04 -0.97 -0.73 113.70 111.73 3hb3 s SER 84 Ca 0.34 -0.70 -0.13 0.00 0.48 0.00 0.00 55.95 55.94 3hb3 s SER 84 Cb -0.12 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.58 3hb3 s SER 84 CO 0.27 -0.94 0.76 -1.20 0.98 0.00 0.00 173.24 173.10 3hb3 n SER 85 N -0.25 -4.28 -4.56 7.02 7.64 -0.41 -4.72 113.62 114.07 3hb3 n SER 85 Ca -0.09 -0.66 -0.43 0.00 1.01 0.00 0.00 58.87 58.70 3hb3 n SER 85 Cb 0.63 -3.47 -0.04 0.00 -1.01 0.00 0.00 64.21 60.32 3hb3 n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hb3 n LEU 86 N -4.26 2.83 0.00 -3.43 4.77 0.11 -4.52 117.00 112.49 3hb3 n LEU 86 Ca 0.02 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 3hb3 n LEU 86 Cb 0.53 -1.49 0.17 0.00 -2.33 0.00 0.00 43.42 40.30 3hb3 n LEU 86 CO 0.67 -0.85 0.47 0.29 -1.33 0.00 0.00 177.39 176.65 3hb3 n LYS 87 N 8.70 -2.24 0.05 3.23 4.76 -1.26 -2.30 118.16 129.10 3hb3 n LYS 87 Ca 0.34 -1.30 0.11 0.00 -2.87 0.00 0.00 58.31 54.60 3hb3 n LYS 87 Cb 0.41 -1.14 0.03 0.00 -1.84 0.00 0.00 35.03 32.50 3hb3 n LYS 87 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3hb3 n SER 88 N -4.20 0.65 -0.18 4.39 2.88 -1.26 -3.48 113.62 112.42 3hb3 n SER 88 Ca 0.11 0.03 0.01 0.00 -1.33 0.00 0.00 58.87 57.69 3hb3 n SER 88 Cb 0.42 0.65 0.28 0.00 -0.75 0.00 0.00 64.21 64.81 3hb3 n SER 88 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3hb3 h GLU 89 N 0.00 0.90 0.00 -1.46 3.07 -1.93 -3.01 114.58 112.15 3hb3 h GLU 89 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3hb3 h GLU 89 Cb 0.83 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3hb3 h GLU 89 CO 0.00 0.60 0.00 -0.25 -1.40 0.00 0.00 179.01 177.96 3hb3 n ASP 90 N -4.43 0.00 -4.66 1.42 8.00 -1.23 -4.77 116.55 110.88 3hb3 n ASP 90 Ca 0.07 -0.01 -0.40 0.00 0.71 0.00 0.00 54.79 55.16 3hb3 n ASP 90 Cb 0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3hb3 n ASP 90 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hb3 s THR 91 N -2.00 5.03 -0.20 -3.53 -4.23 -1.14 -4.83 115.64 104.74 3hb3 s THR 91 Ca 0.01 1.18 -0.34 0.00 -1.18 0.00 0.00 61.69 61.36 3hb3 s THR 91 Cb 0.00 -3.94 0.14 0.00 1.34 0.00 0.00 72.50 70.05 3hb3 s THR 91 CO 0.00 0.12 1.21 0.00 -0.54 0.00 0.00 174.62 175.42 3hb3 s ALA 92 N 1.83 -2.07 -0.03 3.99 0.00 -0.79 -4.19 121.76 120.50 3hb3 s ALA 92 Ca 0.29 1.64 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 3hb3 s ALA 92 Cb -0.16 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.55 3hb3 s ALA 92 CO 0.11 -0.53 2.00 1.41 0.00 0.00 0.00 175.76 178.75 3hb3 s MET 93 N -2.14 3.90 -0.45 0.00 -2.45 -0.55 -1.97 119.30 115.64 3hb3 s MET 93 Ca 0.08 2.43 -0.14 0.00 -1.25 0.00 0.00 55.69 56.81 3hb3 s MET 93 Cb -0.01 -4.20 0.07 0.00 1.25 0.00 0.00 34.83 31.94 3hb3 s MET 93 CO -0.05 -1.22 0.35 0.71 1.05 0.00 0.00 175.02 175.86 3hb3 s TYR 94 N 5.34 3.27 0.27 4.11 1.51 -0.38 0.02 117.35 131.49 3hb3 s TYR 94 Ca 0.90 -1.05 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 3hb3 s TYR 94 Cb -0.39 -3.07 -0.08 0.00 -0.11 0.00 0.00 41.96 38.31 3hb3 s TYR 94 CO 0.39 -0.79 0.64 0.71 -1.11 0.00 0.00 175.55 175.38 3hb3 s TYR 95 N 1.59 3.40 -0.14 2.71 2.02 0.89 -1.63 117.35 126.20 3hb3 s TYR 95 Ca 0.04 1.04 -0.08 0.00 -0.37 0.00 0.00 57.07 57.70 3hb3 s TYR 95 Cb -0.24 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 3hb3 s TYR 95 CO 0.06 0.19 0.14 0.00 -1.57 0.00 0.00 175.55 174.36 3hb3 s VAL 97 N -0.75 0.34 -0.11 0.00 -7.23 0.70 -0.33 120.40 113.02 3hb3 s VAL 97 Ca 0.14 -0.57 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 3hb3 s VAL 97 Cb -0.12 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.41 3hb3 s VAL 97 CO 0.03 -0.16 0.34 -0.60 -0.31 0.00 0.00 175.10 174.40 3hb3 s ARG 98 N -0.78 4.12 -0.01 4.82 3.52 -0.04 -0.45 118.95 130.14 3hb3 s ARG 98 Ca -0.05 0.21 -0.13 0.00 -0.13 0.00 0.00 55.73 55.63 3hb3 s ARG 98 Cb -0.05 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3hb3 s ARG 98 CO -0.00 0.37 0.37 -1.01 -0.81 0.00 0.00 175.30 174.22 3hb3 s HIS 99 N 0.02 3.70 0.23 5.12 3.76 -0.27 -2.03 115.29 125.82 3hb3 s HIS 99 Ca 0.20 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 56.03 3hb3 s HIS 99 Cb -0.14 -2.23 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 3hb3 s HIS 99 CO 0.07 0.65 0.16 -2.00 -0.85 0.00 0.00 174.74 172.77 3hb3 s GLU 100 N -1.14 1.32 -0.99 1.40 2.56 -1.08 -4.46 118.70 116.31 3hb3 s GLU 100 Ca 0.23 -1.72 -0.12 0.00 0.00 0.00 0.00 54.97 53.37 3hb3 s GLU 100 Cb -0.16 0.28 -0.01 0.00 2.00 0.00 0.00 34.13 36.24 3hb3 s GLU 100 CO 0.12 -0.45 0.75 0.66 -0.56 0.00 0.00 175.26 175.79 3hb3 n TYR 101 N -0.35 -2.21 0.00 5.30 4.01 -1.26 -2.05 117.16 120.60 3hb3 n TYR 101 Ca 0.03 0.69 0.00 0.00 -0.16 0.00 0.00 57.90 58.47 3hb3 n TYR 101 Cb 0.65 -3.52 0.00 0.00 -0.31 0.00 0.00 39.34 36.16 3hb3 n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3hb3 n TYR 102 N -3.32 0.00 -0.87 -0.72 4.01 -1.26 -2.73 117.16 112.27 3hb3 n TYR 102 Ca -0.11 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.71 3hb3 n TYR 102 Cb 0.59 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.77 3hb3 n TYR 102 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3hb3 n TYR 103 N 0.00 0.25 -0.34 -0.72 4.01 -1.26 -4.90 117.16 114.21 3hb3 n TYR 103 Ca 0.00 -0.88 -0.23 0.00 -0.16 0.00 0.00 57.90 56.63 3hb3 n TYR 103 Cb 0.00 -0.17 0.22 0.00 -0.31 0.00 0.00 39.34 39.08 3hb3 n TYR 103 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hb3 n ALA 104 N -1.00 -3.66 -3.48 -0.72 0.00 -0.87 -4.88 120.51 105.90 3hb3 n ALA 104 Ca 0.15 -1.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.12 3hb3 n ALA 104 Cb 0.64 -0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 3hb3 n ALA 104 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hb3 s MET 105 N -4.64 0.67 0.45 0.00 1.00 -1.26 -2.64 119.30 112.88 3hb3 s MET 105 Ca 0.51 -1.50 0.22 0.00 0.00 0.00 0.00 55.69 54.93 3hb3 s MET 105 Cb -0.08 -1.43 1.05 0.00 0.00 0.00 0.00 34.83 34.36 3hb3 s MET 105 CO 0.42 -1.23 1.91 0.38 0.00 0.00 0.00 175.02 176.50 3hb3 h ASP 106 N 6.82 0.00 -3.67 3.03 2.03 -1.69 -3.44 116.42 119.51 3hb3 h ASP 106 Ca 0.08 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.09 3hb3 h ASP 106 Cb 0.96 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.15 3hb3 h ASP 106 CO 0.30 0.24 -0.74 -0.31 -1.03 0.00 0.00 179.24 177.70 3hb3 s TYR 107 N -3.96 0.18 -0.10 4.15 2.02 -1.25 -5.05 117.35 113.34 3hb3 s TYR 107 Ca -0.02 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3hb3 s TYR 107 Cb 0.12 -0.20 0.00 0.00 -0.40 0.00 0.00 41.96 41.48 3hb3 s TYR 107 CO 0.64 -0.05 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.79 3hb3 s TRP 108 N 0.43 2.27 0.90 2.71 0.52 -1.26 -0.86 118.94 123.64 3hb3 s TRP 108 Ca -0.04 -0.95 -0.12 0.00 0.02 0.00 0.00 56.10 55.01 3hb3 s TRP 108 Cb -0.06 -1.55 0.10 0.00 -1.15 0.00 0.00 33.47 30.81 3hb3 s TRP 108 CO -0.01 -0.41 0.07 0.41 0.02 0.00 0.00 176.95 177.03 3hb3 n GLY 109 N 3.68 -2.20 0.03 0.98 0.00 0.55 -4.84 105.19 103.39 3hb3 n GLY 109 Ca -0.20 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.37 3hb3 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb3 n GLN 110 N -0.59 0.10 0.00 1.61 0.00 -1.25 -4.82 117.38 112.42 3hb3 n GLN 110 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 57.00 56.98 3hb3 n GLN 110 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.07 3hb3 n GLN 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hb3 n GLY 111 N 1.48 1.24 3.32 2.61 0.00 -1.26 -5.03 105.19 107.54 3hb3 n GLY 111 Ca 0.07 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3hb3 n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hb3 s THR 112 N -0.62 2.75 0.10 2.61 -1.32 -0.64 -4.89 115.64 113.64 3hb3 s THR 112 Ca 0.00 -0.76 -0.28 0.00 -1.21 0.00 0.00 61.69 59.44 3hb3 s THR 112 Cb 0.00 -2.14 -0.06 0.00 -1.51 0.00 0.00 72.50 68.79 3hb3 s THR 112 CO 0.00 0.53 0.87 -0.89 -2.21 0.00 0.00 174.62 172.92 3hb3 s THR 113 N 0.42 4.54 -0.01 5.08 2.01 -1.26 -1.24 115.64 125.17 3hb3 s THR 113 Ca -0.12 1.87 0.05 0.00 0.31 0.00 0.00 61.69 63.80 3hb3 s THR 113 Cb -0.16 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 3hb3 s THR 113 CO 0.06 0.37 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.52 3hb3 s VAL 114 N -0.24 1.20 -0.08 3.82 1.01 -0.83 -2.17 120.40 123.11 3hb3 s VAL 114 Ca 0.42 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 3hb3 s VAL 114 Cb -0.22 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3hb3 s VAL 114 CO 0.27 0.34 0.00 -0.89 0.00 0.00 0.00 175.10 174.82 3hb3 s THR 115 N -0.33 0.40 -0.53 3.92 2.01 -0.95 -1.89 115.64 118.28 3hb3 s THR 115 Ca 0.05 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 3hb3 s THR 115 Cb -0.06 -0.59 0.14 0.00 0.01 0.00 0.00 72.50 72.00 3hb3 s THR 115 CO -0.00 0.22 0.37 -0.69 -0.69 0.00 0.00 174.62 173.83 3hb3 s VAL 116 N 1.96 3.96 0.31 3.82 1.01 -1.26 -3.15 120.40 127.04 3hb3 s VAL 116 Ca 0.05 -2.23 0.01 0.00 0.00 0.00 0.00 61.98 59.81 3hb3 s VAL 116 Cb -0.13 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3hb3 s VAL 116 CO -0.06 -0.80 0.12 -0.24 0.00 0.00 0.00 175.10 174.13 3hb3 n SER 117 N 4.37 2.42 0.00 3.32 2.88 -1.19 -4.59 113.62 120.84 3hb3 n SER 117 Ca -0.00 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.32 3hb3 n SER 117 Cb 0.41 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3hb3 n SER 117 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61