#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b64 s VAL 2 N 0.00 1.48 -0.17 -1.45 1.01 -0.05 -0.91 120.40 120.30 3b64 s VAL 2 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3b64 s VAL 2 Cb 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.13 3b64 s VAL 2 CO 0.00 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.75 3b64 s ILE 3 N 0.22 1.72 -0.21 2.22 1.01 -0.25 -0.62 121.20 125.28 3b64 s ILE 3 Ca -0.08 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 3b64 s ILE 3 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3b64 s ILE 3 CO 0.04 0.37 0.04 -1.10 0.00 0.00 0.00 174.94 174.29 3b64 s GLN 4 N 1.40 3.71 -0.30 2.79 1.11 0.02 -1.77 119.66 126.62 3b64 s GLN 4 Ca 0.03 -0.47 -0.06 0.00 0.01 0.00 0.00 55.36 54.87 3b64 s GLN 4 Cb -0.14 -3.19 0.02 0.00 -1.01 0.00 0.00 33.01 28.69 3b64 s GLN 4 CO -0.10 0.01 0.06 0.99 0.01 0.00 0.00 175.29 176.26 3b64 s THR 5 N 1.04 3.73 -0.24 -0.19 2.01 -0.30 -0.72 115.64 120.97 3b64 s THR 5 Ca 0.03 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 3b64 s THR 5 Cb -0.14 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3b64 s THR 5 CO 0.02 0.03 0.07 -0.36 -0.69 0.00 0.00 174.62 173.69 3b64 s PHE 6 N 1.44 3.10 0.10 4.92 0.40 -0.13 -0.77 117.98 127.04 3b64 s PHE 6 Ca 0.01 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 3b64 s PHE 6 Cb -0.18 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 3b64 s PHE 6 CO 0.01 -0.29 -0.13 0.14 0.70 0.00 0.00 175.22 175.65 3b64 s VAL 7 N 1.46 1.15 -0.98 -0.44 -7.23 -0.80 -0.58 120.40 112.98 3b64 s VAL 7 Ca 0.06 -1.58 0.26 0.00 -1.81 0.00 0.00 61.98 58.91 3b64 s VAL 7 Cb -0.15 -1.35 0.09 0.00 0.56 0.00 0.00 36.38 35.53 3b64 s VAL 7 CO 0.04 -0.41 1.59 -1.54 -0.31 0.00 0.00 175.10 174.46 3b64 n SER 8 N 0.74 0.34 -4.97 4.85 3.41 -0.49 -1.01 113.62 116.50 3b64 n SER 8 Ca -0.17 0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.25 3b64 n SER 8 Cb 0.56 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3b64 n SER 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3b64 s THR 9 N -3.01 4.53 0.36 6.66 -4.23 -1.26 -4.01 115.64 114.67 3b64 s THR 9 Ca 0.12 -0.83 -0.26 0.00 -1.18 0.00 0.00 61.69 59.54 3b64 s THR 9 Cb 0.18 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 3b64 s THR 9 CO 0.64 -0.29 1.07 -2.84 -0.54 0.00 0.00 174.62 172.66 3b64 s PRO 10 N -4.21 4.30 0.31 3.99 0.02 -1.26 -0.92 135.00 137.24 3b64 s PRO 10 Ca 0.42 1.62 0.06 0.00 0.02 0.00 0.00 61.00 63.11 3b64 s PRO 10 Cb -0.09 -2.75 -0.02 0.00 0.02 0.00 0.00 34.50 31.66 3b64 s PRO 10 CO 0.32 -0.04 0.45 -0.51 -0.33 0.00 0.00 177.00 176.89 3b64 s LEU 11 N -2.27 4.06 0.30 -5.54 1.43 -1.26 -4.91 118.68 110.48 3b64 s LEU 11 Ca 0.54 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 3b64 s LEU 11 Cb -0.26 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3b64 s LEU 11 CO 0.32 -0.34 0.20 1.51 0.23 0.00 0.00 176.35 178.27 3b64 s ASP 12 N -4.12 1.34 0.25 2.29 1.47 -1.26 -5.02 116.67 111.62 3b64 s ASP 12 Ca 0.42 -1.60 -0.05 0.00 1.18 0.00 0.00 52.55 52.50 3b64 s ASP 12 Cb -0.09 0.45 0.34 0.00 -0.34 0.00 0.00 42.92 43.28 3b64 s ASP 12 CO 0.31 -0.94 1.86 -0.74 0.68 0.00 0.00 175.17 176.34 3b64 h HIS 13 N 2.26 1.05 -0.44 2.11 -0.00 -2.00 -1.00 115.15 117.13 3b64 h HIS 13 Ca -0.31 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3b64 h HIS 13 Cb 1.24 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 3b64 h HIS 13 CO 1.15 0.55 0.28 1.25 -0.00 0.00 0.00 177.93 181.16 3b64 h HIS 14 N 1.05 0.56 -0.42 5.26 -0.00 -1.99 -0.68 115.15 118.92 3b64 h HIS 14 Ca 0.38 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.71 3b64 h HIS 14 Cb 0.14 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 3b64 h HIS 14 CO -0.02 0.37 0.06 0.87 -0.00 0.00 0.00 177.93 179.21 3b64 h LYS 15 N 0.59 0.70 -0.72 5.26 1.57 -1.82 -0.48 116.57 121.67 3b64 h LYS 15 Ca 0.16 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3b64 h LYS 15 Cb -0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3b64 h LYS 15 CO -0.03 0.75 0.39 0.00 -0.57 0.00 0.00 179.45 179.98 3b64 h ARG 16 N 0.56 1.01 -0.33 3.15 3.08 -0.99 -0.03 114.38 120.82 3b64 h ARG 16 Ca 0.13 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3b64 h ARG 16 Cb 0.39 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3b64 h ARG 16 CO 0.01 0.76 -0.43 1.49 -1.07 0.00 0.00 179.97 180.74 3b64 h GLU 17 N 1.00 0.88 -0.59 0.04 4.57 -0.94 -0.24 114.58 119.30 3b64 h GLU 17 Ca 0.25 -0.50 -0.05 0.00 -1.18 0.00 0.00 59.36 57.88 3b64 h GLU 17 Cb 0.05 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3b64 h GLU 17 CO -0.04 1.14 0.18 -0.91 -1.18 0.00 0.00 179.01 178.20 3b64 h ASN 18 N 0.67 0.86 -0.46 1.04 2.35 -0.86 -1.36 115.58 117.81 3b64 h ASN 18 Ca 0.04 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 3b64 h ASN 18 Cb 1.03 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 3b64 h ASN 18 CO 0.10 0.84 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.60 3b64 h LEU 19 N 0.83 0.89 -1.06 1.61 3.38 -0.94 -1.84 115.31 118.18 3b64 h LEU 19 Ca 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3b64 h LEU 19 Cb 0.29 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3b64 h LEU 19 CO -0.01 0.98 0.54 0.00 0.09 0.00 0.00 178.44 180.05 3b64 h ALA 20 N 1.10 1.30 -0.50 1.53 0.00 -0.70 0.57 119.26 122.56 3b64 h ALA 20 Ca 0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3b64 h ALA 20 Cb 0.57 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3b64 h ALA 20 CO 0.03 0.61 -0.04 1.96 0.00 0.00 0.00 179.25 181.81 3b64 h GLN 21 N 1.20 0.88 -0.34 0.00 1.08 -0.93 -0.26 115.11 116.74 3b64 h GLN 21 Ca 0.32 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3b64 h GLN 21 Cb -0.07 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 3b64 h GLN 21 CO -0.06 0.90 0.19 0.28 -0.95 0.00 0.00 178.83 179.19 3b64 h VAL 22 N 0.80 1.13 -0.45 -0.54 2.07 -0.54 -1.75 116.25 116.98 3b64 h VAL 22 Ca 0.14 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3b64 h VAL 22 Cb 0.54 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3b64 h VAL 22 CO 0.03 0.13 -0.04 1.88 0.02 0.00 0.00 177.57 179.60 3b64 h TYR 23 N 0.43 0.81 -0.33 1.57 0.99 -0.65 0.71 116.97 120.50 3b64 h TYR 23 Ca 0.12 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 3b64 h TYR 23 Cb 0.05 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.54 3b64 h TYR 23 CO -0.03 0.78 0.20 0.00 -0.00 0.00 0.00 178.16 179.11 3b64 h ARG 24 N 0.70 0.44 -0.57 4.88 3.08 -0.97 -0.77 114.38 121.17 3b64 h ARG 24 Ca 0.13 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 3b64 h ARG 24 Cb 0.49 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3b64 h ARG 24 CO 0.02 0.33 -0.03 0.00 -1.07 0.00 0.00 179.97 179.22 3b64 h ALA 25 N 1.09 0.85 -0.81 0.04 0.00 -0.84 -1.45 119.26 118.14 3b64 h ALA 25 Ca 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3b64 h ALA 25 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3b64 h ALA 25 CO -0.02 0.66 0.34 0.28 0.00 0.00 0.00 179.25 180.51 3b64 h VAL 26 N 0.93 1.26 -0.35 0.00 2.07 -0.73 0.22 116.25 119.66 3b64 h VAL 26 Ca 0.16 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3b64 h VAL 26 Cb 0.58 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3b64 h VAL 26 CO 0.04 0.33 0.18 0.74 0.02 0.00 0.00 177.57 178.88 3b64 h THR 27 N 1.18 1.15 0.08 2.57 2.02 -0.79 0.11 112.91 119.23 3b64 h THR 27 Ca 0.27 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3b64 h THR 27 Cb 0.19 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3b64 h THR 27 CO -0.03 0.16 -0.04 -0.09 0.37 0.00 0.00 175.52 175.89 3b64 h ARG 28 N 0.44 -0.10 0.00 6.66 2.43 -1.07 -0.73 114.38 122.01 3b64 h ARG 28 Ca 0.12 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.10 3b64 h ARG 28 Cb 0.09 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3b64 h ARG 28 CO -0.02 0.34 -1.30 -0.44 -1.51 0.00 0.00 179.97 177.04 3b64 h ASP 29 N -0.59 0.00 0.00 -3.80 3.45 -0.54 -2.86 116.42 112.08 3b64 h ASP 29 Ca -0.01 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.15 3b64 h ASP 29 Cb 0.49 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.21 3b64 h ASP 29 CO 0.02 0.77 -2.06 0.52 -1.57 0.00 0.00 179.24 176.92 3b64 n VAL 30 N -3.06 1.05 0.63 -1.35 0.31 0.26 -4.59 118.33 111.57 3b64 n VAL 30 Ca -0.09 -0.32 0.13 0.00 -0.01 0.00 0.00 64.34 64.05 3b64 n VAL 30 Cb 0.91 -1.50 0.29 0.00 -0.91 0.00 0.00 33.84 32.63 3b64 n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3b64 n LEU 31 N -3.51 0.71 -1.64 7.52 4.77 -0.42 -4.90 117.00 119.52 3b64 n LEU 31 Ca -0.35 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3b64 n LEU 31 Cb 0.80 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3b64 n LEU 31 CO 0.09 -0.10 -0.08 0.61 -1.33 0.00 0.00 177.39 176.58 3b64 n GLY 32 N 1.34 -0.08 3.43 -0.72 0.00 -0.55 -4.98 105.19 103.63 3b64 n GLY 32 Ca 0.04 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 3b64 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b64 s LYS 33 N -4.92 1.56 0.14 1.61 -0.14 -0.39 -4.99 119.74 112.62 3b64 s LYS 33 Ca 0.09 -1.73 -0.31 0.00 -1.36 0.00 0.00 55.97 52.66 3b64 s LYS 33 Cb -0.04 -1.46 -0.10 0.00 -1.68 0.00 0.00 37.83 34.55 3b64 s LYS 33 CO 0.11 0.22 1.67 -2.14 -0.76 0.00 0.00 175.35 174.45 3b64 s PRO 34 N -3.60 4.18 0.50 -1.68 0.02 -1.26 -3.26 135.00 129.89 3b64 s PRO 34 Ca 0.28 2.45 0.24 0.00 0.02 0.00 0.00 61.00 63.98 3b64 s PRO 34 Cb -0.01 -3.32 1.31 0.00 0.02 0.00 0.00 34.50 32.49 3b64 s PRO 34 CO 0.12 -0.71 2.04 1.05 -0.33 0.00 0.00 177.00 179.17 3b64 h GLU 35 N 7.49 0.00 0.00 5.54 9.09 -1.89 -0.89 114.58 133.93 3b64 h GLU 35 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 3b64 h GLU 35 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 3b64 h GLU 35 CO 0.93 0.15 0.00 -0.25 0.05 0.00 0.00 179.01 179.89 3b64 n ASP 36 N -3.80 0.00 -1.23 3.06 8.00 -1.26 -3.31 116.55 118.01 3b64 n ASP 36 Ca -0.02 0.48 0.08 0.00 0.71 0.00 0.00 54.79 56.04 3b64 n ASP 36 Cb 0.25 -0.49 0.30 0.00 -0.02 0.00 0.00 41.12 41.15 3b64 n ASP 36 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3b64 n LEU 37 N -1.49 4.31 -4.61 0.64 4.77 -0.34 -4.85 117.00 115.42 3b64 n LEU 37 Ca 0.05 -2.66 -0.40 0.00 -0.03 0.00 0.00 56.01 52.97 3b64 n LEU 37 Cb 0.22 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3b64 n LEU 37 CO 0.17 0.72 0.24 0.54 -1.33 0.00 0.00 177.39 177.74 3b64 s VAL 38 N -2.21 5.06 -0.20 4.08 0.11 -1.21 -1.67 120.40 124.37 3b64 s VAL 38 Ca 0.44 0.81 -0.15 0.00 -2.93 0.00 0.00 61.98 60.15 3b64 s VAL 38 Cb 0.31 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 3b64 s VAL 38 CO 0.16 0.05 0.37 -0.32 -3.33 0.00 0.00 175.10 172.03 3b64 s MET 39 N 2.32 4.18 -0.08 1.54 1.75 -0.09 -4.95 119.30 123.97 3b64 s MET 39 Ca 0.21 0.17 0.04 0.00 -1.25 0.00 0.00 55.69 54.85 3b64 s MET 39 Cb -0.16 -3.52 -0.01 0.00 2.84 0.00 0.00 34.83 33.98 3b64 s MET 39 CO 0.10 0.01 -0.21 -1.64 -0.65 0.00 0.00 175.02 172.63 3b64 s MET 40 N 1.17 2.82 0.10 4.11 -1.94 -1.26 -1.09 119.30 123.20 3b64 s MET 40 Ca 0.18 -0.82 0.10 0.00 -1.71 0.00 0.00 55.69 53.44 3b64 s MET 40 Cb -0.14 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 3b64 s MET 40 CO 0.07 0.34 -0.26 0.95 -0.01 0.00 0.00 175.02 176.12 3b64 s THR 41 N -0.04 2.11 -0.06 2.05 -4.23 -0.73 -5.00 115.64 109.75 3b64 s THR 41 Ca -0.06 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3b64 s THR 41 Cb -0.15 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.84 3b64 s THR 41 CO 0.05 0.15 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.75 3b64 s PHE 42 N -0.99 1.74 -0.43 3.99 0.08 -1.26 -1.15 117.98 119.96 3b64 s PHE 42 Ca 0.12 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 56.60 3b64 s PHE 42 Cb -0.10 -1.20 0.14 0.00 -0.57 0.00 0.00 43.02 41.29 3b64 s PHE 42 CO 0.04 -0.24 0.26 -1.01 -0.10 0.00 0.00 175.22 174.18 3b64 s HIS 43 N 0.31 1.68 0.55 0.36 3.76 0.05 -4.98 115.29 117.01 3b64 s HIS 43 Ca -0.10 -2.29 0.01 0.00 -0.15 0.00 0.00 55.06 52.54 3b64 s HIS 43 Cb -0.14 -1.58 0.03 0.00 1.11 0.00 0.00 32.58 32.00 3b64 s HIS 43 CO 0.04 -0.78 0.77 0.16 -0.85 0.00 0.00 174.74 174.07 3b64 s ASP 44 N 0.35 5.29 -1.65 1.40 -4.77 -1.26 -1.91 116.67 114.13 3b64 s ASP 44 Ca 0.20 -0.02 -0.17 0.00 -3.30 0.00 0.00 52.55 49.26 3b64 s ASP 44 Cb -0.19 -0.87 0.13 0.00 -1.09 0.00 0.00 42.92 40.91 3b64 s ASP 44 CO -0.04 -1.13 0.87 -1.20 0.70 0.00 0.00 175.17 174.37 3b64 n SER 45 N -2.32 -3.92 -4.69 2.11 7.64 -0.09 -4.89 113.62 107.46 3b64 n SER 45 Ca 0.08 -0.92 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 3b64 n SER 45 Cb 0.60 -3.17 -0.03 0.00 -1.01 0.00 0.00 64.21 60.60 3b64 n SER 45 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3b64 s THR 46 N -3.28 4.80 0.07 0.44 2.01 -0.18 -4.92 115.64 114.58 3b64 s THR 46 Ca 0.72 2.00 -0.31 0.00 0.31 0.00 0.00 61.69 64.42 3b64 s THR 46 Cb -0.38 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 67.75 3b64 s THR 46 CO 0.89 0.01 1.70 -2.84 -0.69 0.00 0.00 174.62 173.70 3b64 s PRO 47 N 1.98 4.18 0.15 4.92 0.02 -1.26 -4.11 135.00 140.88 3b64 s PRO 47 Ca 0.47 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.89 3b64 s PRO 47 Cb -0.18 -3.64 -0.04 0.00 0.02 0.00 0.00 34.50 30.65 3b64 s PRO 47 CO 0.18 -0.77 0.01 -1.64 -0.33 0.00 0.00 177.00 174.44 3b64 s MET 48 N 2.80 1.01 -0.12 5.54 -1.94 -1.26 -5.07 119.30 120.26 3b64 s MET 48 Ca 0.76 -1.47 -0.08 0.00 -1.71 0.00 0.00 55.69 53.18 3b64 s MET 48 Cb -0.41 -0.09 0.04 0.00 2.01 0.00 0.00 34.83 36.38 3b64 s MET 48 CO 0.33 -0.16 0.30 -1.58 -0.01 0.00 0.00 175.02 173.91 3b64 s HIS 49 N -3.78 -0.38 -0.28 -0.03 2.46 -1.26 -4.30 115.29 107.71 3b64 s HIS 49 Ca 0.22 0.89 -0.22 0.00 0.47 0.00 0.00 55.06 56.42 3b64 s HIS 49 Cb 0.06 0.12 0.11 0.00 -0.13 0.00 0.00 32.58 32.74 3b64 s HIS 49 CO 0.02 -0.22 0.89 0.12 -2.47 0.00 0.00 174.74 173.08 3b64 s PHE 50 N 0.83 -0.66 -1.44 3.88 5.36 -0.34 -4.95 117.98 120.68 3b64 s PHE 50 Ca -0.05 1.49 -0.05 0.00 -0.96 0.00 0.00 56.93 57.36 3b64 s PHE 50 Cb -0.07 0.38 0.02 0.00 -0.34 0.00 0.00 43.02 43.02 3b64 s PHE 50 CO -0.06 -0.32 0.42 0.34 -1.46 0.00 0.00 175.22 174.14 3b64 n PHE 51 N 2.91 -1.73 -0.88 10.12 -0.00 -1.26 -1.88 117.46 124.74 3b64 n PHE 51 Ca -0.15 0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.68 3b64 n PHE 51 Cb 0.56 -3.75 0.00 0.00 -0.00 0.00 0.00 39.48 36.29 3b64 n PHE 51 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3b64 n GLY 52 N -1.27 0.69 3.51 7.13 0.00 -1.26 -5.02 105.19 108.96 3b64 n GLY 52 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3b64 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b64 s SER 53 N -2.33 -0.07 -0.04 1.61 1.04 -0.79 -5.02 113.70 108.11 3b64 s SER 53 Ca 0.00 -0.89 0.21 0.00 0.48 0.00 0.00 55.95 55.75 3b64 s SER 53 Cb 0.00 0.54 0.69 0.00 0.10 0.00 0.00 66.02 67.35 3b64 s SER 53 CO 0.00 -1.06 1.59 0.35 0.98 0.00 0.00 173.24 175.10 3b64 n THR 54 N -0.34 1.32 -0.89 2.02 -2.24 -1.26 -1.19 114.28 111.70 3b64 n THR 54 Ca -0.04 -1.07 -0.31 0.00 -2.27 0.00 0.00 64.05 60.37 3b64 n THR 54 Cb 0.62 0.36 0.15 0.00 -2.10 0.00 0.00 70.33 69.36 3b64 n THR 54 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3b64 s ASP 55 N -0.96 3.25 -0.12 3.42 -0.00 -1.26 -4.79 116.67 116.22 3b64 s ASP 55 Ca 0.51 1.97 -0.40 0.00 -0.00 0.00 0.00 52.55 54.62 3b64 s ASP 55 Cb 0.29 -2.50 -0.18 0.00 -0.00 0.00 0.00 42.92 40.53 3b64 s ASP 55 CO 0.31 -2.86 1.35 -2.65 -0.00 0.00 0.00 175.17 171.33 3b64 n PRO 56 N -4.06 0.50 -3.62 8.23 -0.02 -1.26 -4.94 135.00 129.83 3b64 n PRO 56 Ca 0.10 0.18 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 3b64 n PRO 56 Cb 0.53 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 3b64 n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3b64 s VAL 57 N 1.28 0.04 -0.00 -1.45 0.11 -1.26 -4.65 120.40 114.47 3b64 s VAL 57 Ca 0.93 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 3b64 s VAL 57 Cb -1.19 -0.95 -0.00 0.00 -1.53 0.00 0.00 36.38 32.71 3b64 s VAL 57 CO 0.60 -0.19 0.03 0.00 -3.33 0.00 0.00 175.10 172.21 3b64 s ALA 58 N -2.34 -0.05 -0.13 1.54 0.00 -0.26 -1.39 121.76 119.12 3b64 s ALA 58 Ca -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 3b64 s ALA 58 Cb -0.01 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.17 3b64 s ALA 58 CO -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 175.76 175.61 3b64 s VAL 60 N 1.74 3.90 -0.17 0.00 1.01 -0.07 -0.96 120.40 125.85 3b64 s VAL 60 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3b64 s VAL 60 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 3b64 s VAL 60 CO -0.07 0.47 -0.05 -0.13 0.00 0.00 0.00 175.10 175.31 3b64 s ARG 61 N 0.59 3.55 -0.13 2.72 0.52 0.10 -0.58 118.95 125.72 3b64 s ARG 61 Ca -0.02 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3b64 s ARG 61 Cb -0.14 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 3b64 s ARG 61 CO 0.02 0.12 -0.14 0.08 0.02 0.00 0.00 175.30 175.41 3b64 s VAL 62 N 0.67 2.99 -0.08 3.52 1.01 0.41 -0.80 120.40 128.12 3b64 s VAL 62 Ca -0.03 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3b64 s VAL 62 Cb -0.15 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3b64 s VAL 62 CO 0.02 0.53 -0.16 -1.61 0.00 0.00 0.00 175.10 173.88 3b64 s GLU 63 N 0.36 2.10 -0.12 2.72 2.02 0.21 -0.55 118.70 125.44 3b64 s GLU 63 Ca -0.11 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.28 3b64 s GLU 63 Cb -0.16 -1.69 0.06 0.00 0.10 0.00 0.00 34.13 32.44 3b64 s GLU 63 CO 0.06 0.06 0.25 0.00 0.02 0.00 0.00 175.26 175.64 3b64 s ALA 64 N 0.62 -0.51 0.22 5.21 0.00 -0.83 -0.88 121.76 125.60 3b64 s ALA 64 Ca -0.15 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.40 3b64 s ALA 64 Cb -0.16 -0.91 -0.12 0.00 0.00 0.00 0.00 23.12 21.92 3b64 s ALA 64 CO 0.04 -0.54 1.66 -0.11 0.00 0.00 0.00 175.76 176.81 3b64 n LEU 65 N 5.11 3.91 0.00 0.00 7.94 -1.26 -1.73 117.00 130.97 3b64 n LEU 65 Ca -0.10 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3b64 n LEU 65 Cb 0.50 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.90 3b64 n LEU 65 CO 0.05 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 3b64 n GLY 66 N 3.35 1.07 7.00 -3.96 0.00 -1.26 -4.95 105.19 106.43 3b64 n GLY 66 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3b64 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b64 n GLY 67 N -2.00 0.18 2.95 -0.02 0.00 -0.70 -4.92 105.19 100.67 3b64 n GLY 67 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 3b64 n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b64 s TYR 68 N 0.00 0.33 0.86 1.61 2.02 -1.26 -4.87 117.35 116.04 3b64 s TYR 68 Ca 0.00 -0.17 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 3b64 s TYR 68 Cb 0.00 -0.21 0.11 0.00 -0.40 0.00 0.00 41.96 41.46 3b64 s TYR 68 CO 0.00 -0.03 1.10 0.20 -1.57 0.00 0.00 175.55 175.25 3b64 s GLY 69 N -0.43 1.65 0.26 0.71 0.00 -1.26 -4.93 107.32 103.32 3b64 s GLY 69 Ca -0.02 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 3b64 s GLY 69 CO -0.00 0.66 1.78 -2.55 0.00 0.00 0.00 173.10 172.98 3b64 h PRO 70 N -1.51 0.67 -0.03 2.90 0.11 -2.01 -1.94 132.00 130.19 3b64 h PRO 70 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3b64 h PRO 70 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3b64 h PRO 70 CO 0.50 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 3b64 n SER 71 N -4.82 2.64 -0.03 -2.05 3.41 -1.26 -4.54 113.62 106.96 3b64 n SER 71 Ca 0.16 -1.88 -0.14 0.00 -0.26 0.00 0.00 58.87 56.75 3b64 n SER 71 Cb 0.38 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 3b64 n SER 71 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3b64 h GLU 72 N 4.13 0.28 -0.74 4.33 5.08 -1.69 -2.90 114.58 123.07 3b64 h GLU 72 Ca 0.00 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3b64 h GLU 72 Cb 0.88 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 3b64 h GLU 72 CO 0.00 0.83 0.48 -1.35 -1.00 0.00 0.00 179.01 177.98 3b64 h PRO 73 N -0.22 0.98 -0.78 2.33 0.11 -1.80 0.16 132.00 132.78 3b64 h PRO 73 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3b64 h PRO 73 Cb 0.86 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.71 3b64 h PRO 73 CO 0.05 0.66 0.40 1.49 -0.21 0.00 0.00 178.00 180.38 3b64 h GLU 74 N 1.01 1.11 -0.21 1.05 4.81 -1.85 0.05 114.58 120.55 3b64 h GLU 74 Ca 0.27 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3b64 h GLU 74 Cb -0.10 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 3b64 h GLU 74 CO -0.06 0.85 -0.07 0.87 -0.73 0.00 0.00 179.01 179.87 3b64 h LYS 75 N 1.09 0.42 -0.72 1.92 1.57 -1.16 -1.84 116.57 117.85 3b64 h LYS 75 Ca 0.27 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3b64 h LYS 75 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3b64 h LYS 75 CO -0.04 0.68 0.43 0.28 -0.57 0.00 0.00 179.45 180.23 3b64 h VAL 76 N 0.13 1.21 -0.71 0.50 2.07 -0.83 -0.97 116.25 117.65 3b64 h VAL 76 Ca 0.05 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3b64 h VAL 76 Cb 0.54 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3b64 h VAL 76 CO 0.03 0.22 0.26 0.74 0.02 0.00 0.00 177.57 178.83 3b64 h THR 77 N 0.98 1.25 -0.31 2.57 2.02 -0.87 0.24 112.91 118.79 3b64 h THR 77 Ca 0.26 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3b64 h THR 77 Cb -0.02 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3b64 h THR 77 CO -0.05 0.33 0.11 -1.28 0.37 0.00 0.00 175.52 175.01 3b64 h SER 78 N 1.03 0.43 -0.19 4.18 0.87 -0.93 -1.14 113.55 117.80 3b64 h SER 78 Ca 0.23 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3b64 h SER 78 Cb 0.25 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3b64 h SER 78 CO -0.01 0.49 -0.07 0.40 -0.53 0.00 0.00 176.83 177.11 3b64 h ILE 79 N 0.34 1.30 -0.51 2.23 2.04 -0.89 -2.12 117.51 119.90 3b64 h ILE 79 Ca 0.10 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 3b64 h ILE 79 Cb 0.20 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 3b64 h ILE 79 CO -0.01 0.33 -0.02 0.58 0.00 0.00 0.00 178.15 179.03 3b64 h VAL 80 N 0.10 1.27 -0.35 1.67 2.07 -0.96 -1.03 116.25 119.00 3b64 h VAL 80 Ca 0.05 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3b64 h VAL 80 Cb 0.54 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3b64 h VAL 80 CO 0.02 0.40 0.20 0.74 0.02 0.00 0.00 177.57 178.95 3b64 h THR 81 N 0.78 1.14 -0.78 2.57 2.02 -1.20 -0.48 112.91 116.95 3b64 h THR 81 Ca 0.14 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 3b64 h THR 81 Cb 0.55 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3b64 h THR 81 CO 0.03 0.14 0.34 0.00 0.37 0.00 0.00 175.52 176.40 3b64 h ALA 82 N 1.07 1.11 -0.50 6.16 0.00 -1.24 -1.58 119.26 124.28 3b64 h ALA 82 Ca 0.13 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3b64 h ALA 82 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3b64 h ALA 82 CO -0.02 0.65 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 3b64 h ALA 83 N 1.23 0.70 -0.50 0.00 0.00 -0.75 0.17 119.26 120.12 3b64 h ALA 83 Ca 0.27 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3b64 h ALA 83 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3b64 h ALA 83 CO -0.03 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.70 3b64 h ILE 84 N 0.87 1.26 -0.44 0.00 1.08 -0.86 0.51 117.51 119.94 3b64 h ILE 84 Ca 0.12 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 3b64 h ILE 84 Cb 0.75 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 3b64 h ILE 84 CO 0.06 0.38 0.24 0.74 -0.69 0.00 0.00 178.15 178.88 3b64 h THR 85 N 0.74 1.16 -0.03 -0.27 2.02 -1.14 0.07 112.91 115.48 3b64 h THR 85 Ca 0.14 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3b64 h THR 85 Cb 0.53 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3b64 h THR 85 CO 0.03 0.17 0.01 0.50 0.37 0.00 0.00 175.52 176.59 3b64 h LYS 86 N 0.57 0.02 0.14 6.66 3.64 -0.73 0.16 116.57 127.03 3b64 h LYS 86 Ca 0.15 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.24 3b64 h LYS 86 Cb 0.06 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3b64 h LYS 86 CO -0.02 0.01 -1.36 0.93 -2.27 0.00 0.00 179.45 176.74 3b64 h GLU 87 N 0.02 0.30 0.00 1.90 4.39 -0.82 -3.38 114.58 116.98 3b64 h GLU 87 Ca 0.01 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3b64 h GLU 87 Cb 0.01 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3b64 h GLU 87 CO -0.01 1.22 -0.90 0.00 -1.16 0.00 0.00 179.01 178.16 3b64 n GLY 89 N 1.56 0.42 3.71 0.00 0.00 0.04 -5.00 105.19 105.91 3b64 n GLY 89 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3b64 n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b64 s ILE 90 N -1.83 4.89 0.55 -0.61 1.01 -1.25 -4.97 121.20 118.99 3b64 s ILE 90 Ca 0.00 1.99 -0.17 0.00 0.00 0.00 0.00 60.65 62.47 3b64 s ILE 90 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 3b64 s ILE 90 CO 0.00 0.17 1.06 0.68 0.00 0.00 0.00 174.94 176.84 3b64 s VAL 91 N 1.00 3.75 0.44 2.92 -7.23 -1.26 -3.75 120.40 116.27 3b64 s VAL 91 Ca 0.50 0.93 0.13 0.00 -1.81 0.00 0.00 61.98 61.73 3b64 s VAL 91 Cb -0.21 -3.39 0.31 0.00 0.56 0.00 0.00 36.38 33.65 3b64 s VAL 91 CO 0.27 -0.39 2.01 0.00 -0.31 0.00 0.00 175.10 176.68 3b64 h ALA 92 N 0.86 1.96 -0.08 1.32 0.00 -1.95 0.40 119.26 121.78 3b64 h ALA 92 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3b64 h ALA 92 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3b64 h ALA 92 CO 0.58 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 3b64 n ASP 93 N -4.47 0.45 -0.93 0.00 3.85 -1.26 -2.14 116.55 112.05 3b64 n ASP 93 Ca 0.07 -1.91 0.01 0.00 -0.71 0.00 0.00 54.79 52.25 3b64 n ASP 93 Cb 0.28 -0.05 0.16 0.00 -1.35 0.00 0.00 41.12 40.17 3b64 n ASP 93 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3b64 n ARG 94 N -0.30 1.87 -4.08 0.11 1.74 0.13 -4.99 116.66 111.13 3b64 n ARG 94 Ca 0.05 -3.40 -0.27 0.00 -0.77 0.00 0.00 57.85 53.46 3b64 n ARG 94 Cb 0.08 -1.65 -0.17 0.00 -1.02 0.00 0.00 32.46 29.70 3b64 n ARG 94 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3b64 s ILE 95 N -3.32 1.15 -0.03 0.55 1.01 -0.91 -1.11 121.20 118.56 3b64 s ILE 95 Ca 0.40 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 3b64 s ILE 95 Cb 0.38 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 3b64 s ILE 95 CO -0.06 0.38 0.06 -0.36 0.00 0.00 0.00 174.94 174.97 3b64 s PHE 96 N 1.44 3.26 -0.17 3.97 2.99 -0.52 -5.01 117.98 123.95 3b64 s PHE 96 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 56.93 57.15 3b64 s PHE 96 Cb -0.13 -1.75 0.04 0.00 0.00 0.00 0.00 43.02 41.17 3b64 s PHE 96 CO -0.06 0.54 -0.09 0.08 -0.00 0.00 0.00 175.22 175.69 3b64 s VAL 97 N -1.11 1.35 0.01 -0.44 1.01 -1.26 -0.90 120.40 119.06 3b64 s VAL 97 Ca 0.20 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3b64 s VAL 97 Cb -0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3b64 s VAL 97 CO 0.11 0.24 -0.05 -0.76 0.00 0.00 0.00 175.10 174.63 3b64 s LEU 98 N 1.54 3.24 -0.09 3.92 1.02 0.25 -4.98 118.68 123.58 3b64 s LEU 98 Ca 0.02 -0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.07 3b64 s LEU 98 Cb -0.15 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.21 3b64 s LEU 98 CO -0.09 0.28 -0.19 -0.31 0.02 0.00 0.00 176.35 176.06 3b64 s TYR 99 N -1.03 2.16 0.26 0.29 2.02 -1.26 -0.44 117.35 119.35 3b64 s TYR 99 Ca 0.18 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 56.02 3b64 s TYR 99 Cb -0.11 -1.48 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 3b64 s TYR 99 CO 0.08 -0.38 0.05 -0.06 -1.57 0.00 0.00 175.55 173.67 3b64 s PHE 100 N 0.51 1.64 -0.08 2.71 0.08 0.29 -4.98 117.98 118.15 3b64 s PHE 100 Ca -0.16 -1.03 -0.02 0.00 0.12 0.00 0.00 56.93 55.83 3b64 s PHE 100 Cb -0.17 -0.99 0.04 0.00 -0.57 0.00 0.00 43.02 41.33 3b64 s PHE 100 CO 0.06 -0.15 0.05 0.45 -0.10 0.00 0.00 175.22 175.53 3b64 s SER 101 N -3.35 1.58 0.75 1.36 0.15 -1.26 -1.97 113.70 110.97 3b64 s SER 101 Ca 0.34 -0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.73 3b64 s SER 101 Cb 0.07 -0.28 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 3b64 s SER 101 CO 0.12 -0.25 1.11 -2.16 1.20 0.00 0.00 173.24 173.26 3b64 s PRO 102 N 2.08 2.28 0.16 5.44 0.04 -1.26 -4.95 135.00 138.79 3b64 s PRO 102 Ca 0.04 1.29 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 3b64 s PRO 102 Cb -0.13 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3b64 s PRO 102 CO -0.05 -1.64 1.51 -0.07 0.04 0.00 0.00 177.00 176.78 3b64 h LEU 103 N -0.85 0.96 -7.91 -3.56 3.38 -2.00 -3.41 115.31 101.91 3b64 h LEU 103 Ca -0.45 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 56.98 3b64 h LEU 103 Cb 1.24 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 3b64 h LEU 103 CO 0.51 1.21 -0.52 -1.00 0.09 0.00 0.00 178.44 178.73 3b64 s HIS 104 N -4.44 0.22 -0.13 1.13 3.76 -1.26 -5.00 115.29 109.57 3b64 s HIS 104 Ca -0.11 -0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 54.19 3b64 s HIS 104 Cb 0.12 -0.15 0.05 0.00 1.11 0.00 0.00 32.58 33.71 3b64 s HIS 104 CO 0.87 -0.38 0.31 0.00 -0.85 0.00 0.00 174.74 174.68 3b64 s GLY 106 N 1.52 2.04 -0.08 0.00 0.00 -1.26 -1.05 107.32 108.50 3b64 s GLY 106 Ca -0.08 -0.75 -0.07 0.00 0.00 0.00 0.00 44.72 43.83 3b64 s GLY 106 CO -0.10 -0.53 0.20 0.86 0.00 0.00 0.00 173.10 173.53 3b64 s TRP 107 N -1.04 -0.22 -1.52 1.90 -0.00 -0.22 -4.87 118.94 112.96 3b64 s TRP 107 Ca 0.17 0.54 -0.01 0.00 -0.00 0.00 0.00 56.10 56.81 3b64 s TRP 107 Cb -0.12 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.42 3b64 s TRP 107 CO 0.07 -0.11 0.09 -1.71 -0.00 0.00 0.00 176.95 175.28 3b64 n ASN 108 N 3.07 -5.23 0.00 5.86 5.15 -1.26 -1.97 115.26 120.88 3b64 n ASN 108 Ca -0.14 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 3b64 n ASN 108 Cb 0.58 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.47 3b64 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3b64 n GLY 109 N -1.01 0.87 3.05 8.20 0.00 -1.26 -5.03 105.19 110.01 3b64 n GLY 109 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3b64 n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b64 s THR 110 N -3.44 0.40 0.11 2.61 -4.23 -0.83 -5.11 115.64 105.14 3b64 s THR 110 Ca 0.00 -1.21 -0.16 0.00 -1.18 0.00 0.00 61.69 59.14 3b64 s THR 110 Cb 0.00 -0.73 -0.07 0.00 1.34 0.00 0.00 72.50 73.05 3b64 s THR 110 CO 0.00 -0.54 0.54 0.20 -0.54 0.00 0.00 174.62 174.28 3b64 s ASN 111 N -1.86 6.89 0.00 3.99 0.01 -1.26 -1.06 114.94 121.66 3b64 s ASN 111 Ca -0.07 1.12 0.13 0.00 -0.71 0.00 0.00 52.86 53.32 3b64 s ASN 111 Cb -0.06 -2.30 0.75 0.00 0.41 0.00 0.00 41.25 40.04 3b64 s ASN 111 CO -0.02 0.18 1.18 0.49 -1.51 0.00 0.00 177.10 177.43