#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3a n TYR 3 N 0.00 0.00 -1.95 6.00 4.01 -1.26 -5.06 117.16 118.91 1b3a n TYR 3 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1b3a n TYR 3 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1b3a n TYR 3 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1b3a s SER 4 N 0.85 6.58 0.00 7.72 0.15 -1.26 -4.91 113.70 122.83 1b3a s SER 4 Ca 0.00 2.73 0.22 0.00 0.70 0.00 0.00 55.95 59.61 1b3a s SER 4 Cb 0.00 -2.62 0.64 0.00 -1.71 0.00 0.00 66.02 62.33 1b3a s SER 4 CO 0.00 -0.76 1.54 -1.54 1.20 0.00 0.00 173.24 173.67 1b3a n SER 5 N 2.40 3.95 -4.82 5.45 3.41 -1.26 -4.93 113.62 117.82 1b3a n SER 5 Ca 0.08 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.36 1b3a n SER 5 Cb 0.39 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1b3a n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b3a s ASP 6 N -1.00 6.42 0.77 4.04 1.01 -1.26 -5.04 116.67 121.61 1b3a s ASP 6 Ca 0.49 1.69 -0.12 0.00 0.71 0.00 0.00 52.55 55.32 1b3a s ASP 6 Cb 0.25 -2.52 0.06 0.00 1.01 0.00 0.00 42.92 41.72 1b3a s ASP 6 CO 0.33 -0.72 1.11 0.42 0.21 0.00 0.00 175.17 176.52 1b3a s THR 7 N -2.45 3.04 0.01 -1.27 -4.23 -1.26 -5.06 115.64 104.42 1b3a s THR 7 Ca 0.61 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1b3a s THR 7 Cb -0.12 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 1b3a s THR 7 CO 0.29 -0.40 -0.02 0.28 -0.54 0.00 0.00 174.62 174.22 1b3a s THR 8 N -2.68 0.13 0.16 3.99 -1.32 -1.26 -5.13 115.64 109.53 1b3a s THR 8 Ca 0.64 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 60.29 1b3a s THR 8 Cb -0.20 -0.20 -0.08 0.00 -1.51 0.00 0.00 72.50 70.51 1b3a s THR 8 CO 0.52 -0.25 1.26 -2.16 -2.21 0.00 0.00 174.62 171.78 1b3a s PRO 9 N -0.81 4.43 0.23 7.08 0.04 -1.26 -5.04 135.00 139.67 1b3a s PRO 9 Ca -0.08 1.94 0.11 0.00 0.04 0.00 0.00 61.00 63.00 1b3a s PRO 9 Cb -0.06 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1b3a s PRO 9 CO -0.00 -0.21 -0.20 0.00 0.04 0.00 0.00 177.00 176.62 1b3a n PHE 12 N 2.51 0.00 -3.47 0.00 3.72 -1.26 -4.54 117.46 114.42 1b3a n PHE 12 Ca -0.18 -0.24 -0.12 0.00 -0.05 0.00 0.00 57.45 56.86 1b3a n PHE 12 Cb 0.53 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 1b3a n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b3a s ALA 13 N -0.48 -1.72 -0.05 4.37 0.00 -1.26 -5.16 121.76 117.46 1b3a s ALA 13 Ca 0.00 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.87 1b3a s ALA 13 Cb 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1b3a s ALA 13 CO 0.00 -0.65 -0.21 0.71 0.00 0.00 0.00 175.76 175.61 1b3a s TYR 14 N -2.97 2.52 0.34 0.00 2.02 -1.26 -4.58 117.35 113.41 1b3a s TYR 14 Ca 0.00 -0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 55.94 1b3a s TYR 14 Cb -0.01 -1.61 -0.11 0.00 -0.40 0.00 0.00 41.96 39.84 1b3a s TYR 14 CO -0.07 -0.05 1.42 -1.50 -1.57 0.00 0.00 175.55 173.78 1b3a s ILE 15 N -0.40 2.38 0.14 2.71 2.07 -0.01 -4.88 121.20 123.21 1b3a s ILE 15 Ca 0.04 0.37 -0.01 0.00 -1.41 0.00 0.00 60.65 59.63 1b3a s ILE 15 Cb -0.12 -3.23 -0.17 0.00 0.13 0.00 0.00 42.46 39.07 1b3a s ILE 15 CO 0.02 0.08 1.33 0.00 -1.91 0.00 0.00 174.94 174.46 1b3a h ALA 16 N 3.56 0.42 -3.49 1.50 0.00 -1.99 -3.45 119.26 115.82 1b3a h ALA 16 Ca -0.49 -0.73 -0.54 0.00 0.00 0.00 0.00 54.91 53.15 1b3a h ALA 16 Cb 1.23 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 1b3a h ALA 16 CO 0.68 0.87 -0.81 1.03 0.00 0.00 0.00 179.25 181.02 1b3a s ARG 17 N -3.20 1.13 0.20 0.00 1.81 -1.26 -5.09 118.95 112.54 1b3a s ARG 17 Ca -0.04 -1.20 -0.32 0.00 -1.72 0.00 0.00 55.73 52.45 1b3a s ARG 17 Cb 0.09 -1.33 -0.12 0.00 -0.45 0.00 0.00 34.95 33.15 1b3a s ARG 17 CO 0.85 0.30 1.73 -2.14 -0.68 0.00 0.00 175.30 175.36 1b3a s PRO 18 N -2.09 4.13 0.60 3.54 0.02 -1.26 -4.99 135.00 134.95 1b3a s PRO 18 Ca 0.08 2.60 -0.19 0.00 0.02 0.00 0.00 61.00 63.50 1b3a s PRO 18 Cb -0.09 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 1b3a s PRO 18 CO 0.05 -0.76 1.24 1.28 -0.33 0.00 0.00 177.00 178.48 1b3a n LEU 19 N 4.21 5.33 -4.70 -5.54 4.77 -1.26 -4.94 117.00 114.86 1b3a n LEU 19 Ca 0.16 0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 1b3a n LEU 19 Cb 0.36 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 1b3a n LEU 19 CO 0.64 -1.04 1.40 -2.84 -1.33 0.00 0.00 177.39 174.22 1b3a s PRO 20 N -3.05 4.15 0.25 3.23 0.02 -1.26 -4.86 135.00 133.48 1b3a s PRO 20 Ca 0.77 2.54 -0.03 0.00 0.02 0.00 0.00 61.00 64.30 1b3a s PRO 20 Cb -0.40 -3.40 0.41 0.00 0.02 0.00 0.00 34.50 31.13 1b3a s PRO 20 CO 0.45 -0.78 1.83 -0.09 -0.33 0.00 0.00 177.00 178.08 1b3a h ARG 21 N 7.86 0.89 0.00 5.54 9.65 -1.96 -1.76 114.38 134.59 1b3a h ARG 21 Ca -0.44 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1b3a h ARG 21 Cb 1.21 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1b3a h ARG 21 CO 0.95 0.59 0.00 0.00 2.80 0.00 0.00 179.97 184.30 1b3a h ALA 22 N 1.46 1.00 -0.01 2.80 0.00 -2.04 -0.93 119.26 121.54 1b3a h ALA 22 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1b3a h ALA 22 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1b3a h ALA 22 CO -0.22 0.00 -0.16 0.72 0.00 0.00 0.00 179.25 179.58 1b3a n HIS 23 N -2.56 0.00 -3.83 0.00 8.25 -0.66 -4.85 115.22 111.58 1b3a n HIS 23 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1b3a n HIS 23 Cb 0.19 -0.14 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 1b3a n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1b3a s ILE 24 N -2.45 5.18 -0.03 1.59 1.01 -0.35 -0.40 121.20 125.74 1b3a s ILE 24 Ca 0.28 0.11 0.07 0.00 0.00 0.00 0.00 60.65 61.10 1b3a s ILE 24 Cb 0.20 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 39.21 1b3a s ILE 24 CO 0.48 0.44 0.16 2.29 0.00 0.00 0.00 174.94 178.32 1b3a n LYS 25 N 3.56 0.52 -3.88 2.79 2.85 -0.04 -4.91 118.16 119.05 1b3a n LYS 25 Ca -0.16 -0.06 -0.09 0.00 -1.05 0.00 0.00 58.31 56.95 1b3a n LYS 25 Cb 0.52 -1.14 -0.07 0.00 -0.65 0.00 0.00 35.03 33.69 1b3a n LYS 25 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1b3a s GLU 26 N -2.43 1.02 0.08 -1.58 2.02 -1.12 -5.01 118.70 111.68 1b3a s GLU 26 Ca -0.02 -1.03 -0.07 0.00 0.02 0.00 0.00 54.97 53.87 1b3a s GLU 26 Cb 0.04 0.38 -0.01 0.00 0.10 0.00 0.00 34.13 34.64 1b3a s GLU 26 CO 0.29 -0.36 0.15 1.52 0.02 0.00 0.00 175.26 176.87 1b3a s TYR 27 N -3.90 0.21 0.13 1.61 1.13 -1.26 -0.49 117.35 114.78 1b3a s TYR 27 Ca 0.10 -0.64 -0.14 0.00 -1.41 0.00 0.00 57.07 54.98 1b3a s TYR 27 Cb 0.04 -0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1b3a s TYR 27 CO -0.06 -0.50 0.36 -0.59 -2.51 0.00 0.00 175.55 172.25 1b3a s PHE 28 N -3.74 -0.06 -0.02 -3.49 -0.71 -0.47 -4.98 117.98 104.53 1b3a s PHE 28 Ca 0.04 -0.30 -0.09 0.00 -1.04 0.00 0.00 56.93 55.55 1b3a s PHE 28 Cb 0.05 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 1b3a s PHE 28 CO -0.10 -0.70 0.28 0.71 -1.34 0.00 0.00 175.22 174.07 1b3a s TYR 29 N -3.84 3.61 0.80 3.49 1.51 -1.26 -0.05 117.35 121.60 1b3a s TYR 29 Ca 0.06 0.67 -0.11 0.00 -1.01 0.00 0.00 57.07 56.67 1b3a s TYR 29 Cb 0.02 -2.05 0.07 0.00 -0.11 0.00 0.00 41.96 39.89 1b3a s TYR 29 CO -0.09 0.64 1.09 0.95 -1.11 0.00 0.00 175.55 177.03 1b3a s THR 30 N -1.20 3.19 0.39 -0.71 -4.23 -0.72 -4.94 115.64 107.42 1b3a s THR 30 Ca 0.24 0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 60.89 1b3a s THR 30 Cb -0.14 -2.86 -0.12 0.00 1.34 0.00 0.00 72.50 70.73 1b3a s THR 30 CO 0.13 -0.51 0.95 -0.24 -0.54 0.00 0.00 174.62 174.41 1b3a n SER 31 N -3.60 1.00 0.02 3.99 2.88 -1.26 -4.75 113.62 111.89 1b3a n SER 31 Ca 0.09 1.06 0.05 0.00 -1.33 0.00 0.00 58.87 58.74 1b3a n SER 31 Cb 0.53 -1.31 0.23 0.00 -0.75 0.00 0.00 64.21 62.92 1b3a n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b3a n GLY 32 N 1.27 -0.84 0.21 0.46 0.00 -1.26 -1.70 105.19 103.33 1b3a n GLY 32 Ca 0.10 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1b3a n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b3a h LYS 33 N 0.00 0.00 -7.20 1.61 1.57 -1.96 -3.46 116.57 107.14 1b3a h LYS 33 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1b3a h LYS 33 Cb 0.16 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.60 1b3a h LYS 33 CO 0.00 0.12 0.37 0.00 -0.57 0.00 0.00 179.45 179.38 1b3a h SER 35 N -0.21 0.00 -3.83 0.00 4.64 -1.89 -3.43 113.55 108.83 1b3a h SER 35 Ca -0.47 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.17 1b3a h SER 35 Cb 1.27 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.16 1b3a h SER 35 CO 0.52 0.35 -0.80 0.20 -0.87 0.00 0.00 176.83 176.22 1b3a s ASN 36 N -6.94 3.84 0.43 4.97 0.01 -1.26 -5.12 114.94 110.87 1b3a s ASN 36 Ca -0.03 -0.50 -0.22 0.00 -0.71 0.00 0.00 52.86 51.40 1b3a s ASN 36 Cb 0.15 -0.57 -0.10 0.00 0.41 0.00 0.00 41.25 41.14 1b3a s ASN 36 CO 0.72 0.21 0.98 -2.16 -1.51 0.00 0.00 177.10 175.34 1b3a s PRO 37 N -1.84 4.15 -0.09 -0.60 0.04 -1.26 -4.75 135.00 130.64 1b3a s PRO 37 Ca 0.16 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1b3a s PRO 37 Cb -0.11 -2.25 0.08 0.00 0.04 0.00 0.00 34.50 32.26 1b3a s PRO 37 CO 0.08 -0.11 0.73 0.00 0.04 0.00 0.00 177.00 177.74 1b3a s ALA 38 N -2.02 -1.80 -0.11 8.56 0.00 -1.26 -4.73 121.76 120.40 1b3a s ALA 38 Ca 0.62 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.89 1b3a s ALA 38 Cb -0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1b3a s ALA 38 CO 0.17 -0.36 0.29 0.08 0.00 0.00 0.00 175.76 175.95 1b3a s VAL 39 N -0.99 5.27 -0.20 0.00 1.01 -0.56 -1.76 120.40 123.17 1b3a s VAL 39 Ca -0.08 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1b3a s VAL 39 Cb -0.01 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1b3a s VAL 39 CO 0.08 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.97 1b3a s VAL 40 N -0.31 3.85 -0.05 2.92 1.01 0.92 -0.13 120.40 128.62 1b3a s VAL 40 Ca 0.18 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1b3a s VAL 40 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1b3a s VAL 40 CO 0.07 0.43 0.32 -0.36 0.00 0.00 0.00 175.10 175.55 1b3a s PHE 41 N 1.03 3.67 -0.23 5.22 0.08 0.55 -1.37 117.98 126.94 1b3a s PHE 41 Ca 0.02 0.82 -0.09 0.00 0.12 0.00 0.00 56.93 57.80 1b3a s PHE 41 Cb -0.14 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 1b3a s PHE 41 CO 0.01 0.64 0.10 0.08 -0.10 0.00 0.00 175.22 175.96 1b3a s VAL 42 N -0.94 4.85 0.61 -0.44 1.01 0.36 -0.87 120.40 124.97 1b3a s VAL 42 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1b3a s VAL 42 Cb -0.15 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1b3a s VAL 42 CO 0.10 0.37 0.86 0.42 0.00 0.00 0.00 175.10 176.85 1b3a s THR 43 N 1.08 2.52 -0.99 3.92 -4.23 -0.13 -0.86 115.64 116.96 1b3a s THR 43 Ca 0.05 -0.54 0.20 0.00 -1.18 0.00 0.00 61.69 60.23 1b3a s THR 43 Cb -0.14 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 70.88 1b3a s THR 43 CO 0.04 0.00 1.64 0.54 -0.54 0.00 0.00 174.62 176.30 1b3a n ARG 44 N -2.54 0.01 -0.51 3.99 1.74 0.46 0.19 116.66 119.99 1b3a n ARG 44 Ca 0.08 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 1b3a n ARG 44 Cb 0.60 -1.51 0.29 0.00 -1.02 0.00 0.00 32.46 30.82 1b3a n ARG 44 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1b3a n LYS 45 N -1.52 3.23 -1.90 5.56 5.02 -1.26 -4.93 118.16 122.36 1b3a n LYS 45 Ca 0.05 -2.29 -0.20 0.00 -2.02 0.00 0.00 58.31 53.85 1b3a n LYS 45 Cb 0.24 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 1b3a n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1b3a n ASN 46 N 0.84 -5.56 -4.81 4.39 3.02 0.13 -5.00 115.26 108.27 1b3a n ASN 46 Ca 0.21 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.73 1b3a n ASN 46 Cb 0.75 -4.73 0.01 0.00 -0.61 0.00 0.00 39.78 35.19 1b3a n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1b3a s ARG 47 N -4.22 3.36 -0.18 3.52 0.52 -1.26 -4.76 118.95 115.94 1b3a s ARG 47 Ca 0.00 1.14 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 1b3a s ARG 47 Cb 0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.45 1b3a s ARG 47 CO 0.00 -0.77 -0.19 -0.65 0.02 0.00 0.00 175.30 173.71 1b3a s GLN 48 N -4.19 2.90 -0.15 3.54 -0.21 -1.26 -0.95 119.66 119.34 1b3a s GLN 48 Ca 0.62 -0.80 0.02 0.00 0.02 0.00 0.00 55.36 55.22 1b3a s GLN 48 Cb -0.15 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.36 1b3a s GLN 48 CO 0.38 -0.22 -0.21 0.08 -2.12 0.00 0.00 175.29 173.20 1b3a s VAL 49 N 1.31 2.02 0.27 1.09 1.01 -0.05 -4.93 120.40 121.13 1b3a s VAL 49 Ca 0.05 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1b3a s VAL 49 Cb -0.13 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 1b3a s VAL 49 CO -0.13 0.54 1.14 0.00 0.00 0.00 0.00 175.10 176.65 1b3a s ALA 51 N -1.00 -0.14 -0.33 0.00 0.00 0.81 -0.83 121.76 120.27 1b3a s ALA 51 Ca 0.46 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 1b3a s ALA 51 Cb -0.33 0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1b3a s ALA 51 CO 0.42 -0.25 1.05 1.21 0.00 0.00 0.00 175.76 178.19 1b3a s ASN 52 N -1.73 6.90 0.51 0.00 3.84 -1.26 -1.50 114.94 121.70 1b3a s ASN 52 Ca -0.11 0.99 0.34 0.00 0.21 0.00 0.00 52.86 54.30 1b3a s ASN 52 Cb -0.05 -2.53 1.86 0.00 -0.55 0.00 0.00 41.25 39.98 1b3a s ASN 52 CO -0.01 -0.88 2.05 -0.65 -2.79 0.00 0.00 177.10 174.82 1b3a h PRO 53 N 8.14 0.00 0.00 0.43 0.11 -1.92 -1.31 132.00 137.46 1b3a h PRO 53 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1b3a h PRO 53 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1b3a h PRO 53 CO 1.03 0.00 -0.82 0.39 -0.21 0.00 0.00 178.00 178.39 1b3a n GLU 54 N -2.71 0.35 -2.24 1.05 1.02 -1.26 -4.57 120.64 112.28 1b3a n GLU 54 Ca -0.02 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 1b3a n GLU 54 Cb 0.06 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 1b3a n GLU 54 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1b3a s LYS 55 N -3.22 4.44 0.21 3.49 -0.14 -0.49 -4.94 119.74 119.09 1b3a s LYS 55 Ca 0.04 2.05 -0.09 0.00 -1.36 0.00 0.00 55.97 56.61 1b3a s LYS 55 Cb 0.13 -3.15 0.24 0.00 -1.68 0.00 0.00 37.83 33.37 1b3a s LYS 55 CO 0.76 -0.12 1.82 1.57 -0.76 0.00 0.00 175.35 178.62 1b3a h LYS 56 N 4.29 0.71 -0.33 1.68 -0.00 -1.89 -1.63 116.57 119.39 1b3a h LYS 56 Ca -0.47 -0.04 -0.09 0.00 -0.00 0.00 0.00 60.65 60.06 1b3a h LYS 56 Cb 1.22 -0.16 -0.02 0.00 -0.00 0.00 0.00 32.23 33.27 1b3a h LYS 56 CO 0.70 0.47 -0.15 0.11 -0.00 0.00 0.00 179.45 180.58 1b3a h TRP 57 N 0.73 0.65 -0.39 0.07 5.08 -1.94 0.19 115.95 120.34 1b3a h TRP 57 Ca 0.30 -0.11 -0.03 0.00 1.08 0.00 0.00 58.89 60.13 1b3a h TRP 57 Cb 0.17 -0.17 -0.02 0.00 -3.00 0.00 0.00 29.16 26.15 1b3a h TRP 57 CO -0.07 0.71 0.11 0.28 -1.28 0.00 0.00 178.44 178.19 1b3a h VAL 58 N 0.54 1.22 -0.17 0.12 2.07 -1.74 -0.23 116.25 118.05 1b3a h VAL 58 Ca 0.09 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1b3a h VAL 58 Cb 0.57 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1b3a h VAL 58 CO 0.04 0.25 -0.35 0.03 0.02 0.00 0.00 177.57 177.56 1b3a h ARG 59 N 0.48 0.35 -0.63 1.57 3.08 -0.74 -1.33 114.38 117.16 1b3a h ARG 59 Ca 0.12 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1b3a h ARG 59 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1b3a h ARG 59 CO -0.00 0.66 0.06 0.93 -1.07 0.00 0.00 179.97 180.54 1b3a h GLU 60 N 0.30 1.08 -0.59 0.04 5.08 -0.40 -1.64 114.58 118.44 1b3a h GLU 60 Ca 0.03 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1b3a h GLU 60 Cb 0.76 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1b3a h GLU 60 CO 0.06 1.02 0.09 1.88 -1.00 0.00 0.00 179.01 181.05 1b3a h TYR 61 N 0.99 1.05 -0.13 4.33 -1.99 -0.75 -0.92 116.97 119.54 1b3a h TYR 61 Ca 0.19 -0.15 0.01 0.00 2.00 0.00 0.00 58.73 60.78 1b3a h TYR 61 Cb 0.50 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1b3a h TYR 61 CO 0.04 0.91 0.05 0.82 -0.00 0.00 0.00 178.16 179.98 1b3a h ILE 62 N 0.88 0.98 -0.75 -2.88 2.04 -1.09 0.82 117.51 117.51 1b3a h ILE 62 Ca 0.18 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1b3a h ILE 62 Cb 0.43 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1b3a h ILE 62 CO 0.01 0.02 0.45 0.78 0.00 0.00 0.00 178.15 179.41 1b3a h ASN 63 N 0.12 0.69 -0.08 1.72 -0.26 -1.10 0.22 115.58 116.89 1b3a h ASN 63 Ca 0.05 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1b3a h ASN 63 Cb 0.02 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1b3a h ASN 63 CO -0.05 0.44 0.04 -1.28 -1.06 0.00 0.00 177.43 175.53 1b3a h SER 64 N 0.82 0.10 -0.53 5.81 0.87 -0.72 -0.75 113.55 119.14 1b3a h SER 64 Ca 0.33 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1b3a h SER 64 Cb 0.17 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1b3a h SER 64 CO -0.17 0.15 0.33 -0.07 -0.53 0.00 0.00 176.83 176.54 1b3a h LEU 65 N 0.03 0.65 -0.95 2.23 3.38 -0.32 -1.38 115.31 118.96 1b3a h LEU 65 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b3a h LEU 65 Cb 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1b3a h LEU 65 CO -0.00 0.51 0.00 -0.33 0.09 0.00 0.00 178.44 178.70 1b3a h GLU 66 N 0.75 0.00 -1.53 1.13 5.08 -0.13 -3.29 114.58 116.59 1b3a h GLU 66 Ca 0.20 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.15 1b3a h GLU 66 Cb -0.02 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.06 1b3a h GLU 66 CO -0.04 0.00 0.49 -0.12 -1.00 0.00 0.00 179.01 178.35 1b3a n MET 67 N -3.01 2.04 0.00 2.33 1.56 -0.33 -5.08 117.12 114.64 1b3a n MET 67 Ca 0.02 -1.98 0.00 0.00 -0.27 0.00 0.00 57.70 55.47 1b3a n MET 67 Cb 0.37 -1.81 0.00 0.00 2.15 0.00 0.00 33.22 33.93 1b3a n MET 67 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67