#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3c s ASP 2 N 0.00 4.78 0.00 -5.58 1.01 -1.26 -3.07 116.67 112.55 1b3c s ASP 2 Ca 0.00 1.26 0.00 0.00 0.71 0.00 0.00 52.55 54.52 1b3c s ASP 2 Cb 0.00 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.92 1b3c s ASP 2 CO 0.00 -1.78 0.00 0.61 0.21 0.00 0.00 175.17 174.21 1b3c n GLY 3 N -2.37 3.35 3.17 0.21 0.00 -0.09 -4.93 105.19 104.54 1b3c n GLY 3 Ca 0.07 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1b3c n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b3c s TYR 4 N -4.17 2.81 0.67 1.61 2.02 -1.26 -2.12 117.35 116.91 1b3c s TYR 4 Ca 0.00 -1.44 -0.17 0.00 -0.37 0.00 0.00 57.07 55.09 1b3c s TYR 4 Cb 0.00 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1b3c s TYR 4 CO 0.00 -0.72 1.08 1.28 -1.57 0.00 0.00 175.55 175.62 1b3c n LEU 5 N 4.58 4.42 0.00 -1.29 4.77 -0.59 0.80 117.00 129.70 1b3c n LEU 5 Ca -0.20 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1b3c n LEU 5 Cb 0.50 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1b3c n LEU 5 CO 0.27 -1.65 0.00 1.33 -1.33 0.00 0.00 177.39 176.01 1b3c n VAL 6 N -2.17 0.00 -4.44 4.08 0.24 -1.26 -3.68 118.33 111.10 1b3c n VAL 6 Ca 0.14 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.20 1b3c n VAL 6 Cb 0.49 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.49 1b3c n VAL 6 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1b3c s GLU 7 N -1.36 1.86 0.48 7.34 2.12 0.68 -4.61 118.70 125.20 1b3c s GLU 7 Ca 0.00 -1.76 0.32 0.00 0.36 0.00 0.00 54.97 53.89 1b3c s GLU 7 Cb 0.00 -1.83 1.43 0.00 0.26 0.00 0.00 34.13 33.99 1b3c s GLU 7 CO 0.00 0.26 1.70 0.87 -0.54 0.00 0.00 175.26 177.55 1b3c h LYS 8 N 2.08 0.12 0.00 4.30 1.57 -1.97 1.58 116.57 124.25 1b3c h LYS 8 Ca -0.41 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1b3c h LYS 8 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1b3c h LYS 8 CO 0.64 0.08 -0.73 1.79 -0.57 0.00 0.00 179.45 180.66 1b3c h THR 9 N 0.12 0.00 0.00 -0.16 1.35 -2.01 -3.47 112.91 108.75 1b3c h THR 9 Ca 0.71 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1b3c h THR 9 Cb 2.42 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 1b3c h THR 9 CO -0.22 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.66 1b3c n GLY 10 N 1.28 1.62 3.99 5.82 0.00 0.54 -4.85 105.19 113.59 1b3c n GLY 10 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1b3c n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c s LYS 12 N -4.33 0.14 -0.56 0.00 1.02 -1.26 0.25 119.74 114.99 1b3c s LYS 12 Ca 0.54 0.33 0.06 0.00 0.02 0.00 0.00 55.97 56.92 1b3c s LYS 12 Cb -0.09 -1.72 0.33 0.00 -0.52 0.00 0.00 37.83 35.83 1b3c s LYS 12 CO 0.32 -2.88 0.91 1.63 -0.92 0.00 0.00 175.35 174.41 1b3c n LYS 13 N -4.25 2.98 -1.13 1.68 4.76 -1.24 -4.48 118.16 116.48 1b3c n LYS 13 Ca 0.07 -4.71 -0.37 0.00 -2.87 0.00 0.00 58.31 50.43 1b3c n LYS 13 Cb 0.58 -2.19 0.05 0.00 -1.84 0.00 0.00 35.03 31.63 1b3c n LYS 13 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1b3c n THR 14 N -0.11 0.59 -4.27 -0.18 -1.04 -1.26 -2.40 114.28 105.60 1b3c n THR 14 Ca 0.30 -0.43 -0.19 0.00 -2.04 0.00 0.00 64.05 61.69 1b3c n THR 14 Cb 0.42 -0.31 -0.11 0.00 -1.82 0.00 0.00 70.33 68.51 1b3c n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b3c n TYR 16 N 0.37 0.00 -3.74 0.00 4.02 -1.26 -4.56 117.16 111.99 1b3c n TYR 16 Ca -0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.39 1b3c n TYR 16 Cb 0.57 -0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.71 1b3c n TYR 16 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1b3c s LYS 17 N -2.49 2.46 0.43 -0.72 1.02 -1.26 -5.07 119.74 114.11 1b3c s LYS 17 Ca 0.03 -2.44 -0.26 0.00 0.02 0.00 0.00 55.97 53.32 1b3c s LYS 17 Cb 0.10 -3.69 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 1b3c s LYS 17 CO 0.58 -1.16 1.39 1.28 -0.92 0.00 0.00 175.35 176.52 1b3c n LEU 18 N 3.63 4.70 0.00 3.17 4.77 -1.26 -4.53 117.00 127.48 1b3c n LEU 18 Ca 0.06 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1b3c n LEU 18 Cb 0.38 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1b3c n LEU 18 CO 0.34 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1b3c n GLY 19 N 0.64 0.00 3.57 -0.72 0.00 -1.18 -4.86 105.19 102.64 1b3c n GLY 19 Ca 0.05 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 1b3c n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b3c n GLU 20 N -0.04 0.13 -2.13 1.61 2.13 -1.26 -1.90 120.64 119.18 1b3c n GLU 20 Ca 0.00 -1.61 -0.29 0.00 0.66 0.00 0.00 57.16 55.91 1b3c n GLU 20 Cb 0.00 -3.90 -0.05 0.00 0.27 0.00 0.00 31.44 27.76 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1b3c s ASN 21 N 8.67 5.29 0.57 4.31 3.84 -1.26 -4.75 114.94 131.61 1b3c s ASN 21 Ca 0.82 -1.28 0.29 0.00 0.21 0.00 0.00 52.86 52.91 1b3c s ASN 21 Cb -0.06 -2.57 1.47 0.00 -0.55 0.00 0.00 41.25 39.54 1b3c s ASN 21 CO 0.18 -2.71 1.90 0.44 -2.79 0.00 0.00 177.10 174.12 1b3c h ASP 22 N 10.26 0.00 0.12 -4.21 3.32 -1.87 -0.14 116.42 123.90 1b3c h ASP 22 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1b3c h ASP 22 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1b3c h ASP 22 CO 1.25 0.00 -0.06 -0.26 -1.72 0.00 0.00 179.24 178.45 1b3c h PHE 23 N 0.00 -0.15 0.00 4.55 0.04 -1.92 -2.06 116.94 117.40 1b3c h PHE 23 Ca 0.27 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.98 1b3c h PHE 23 Cb 1.29 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.48 1b3c h PHE 23 CO 0.00 0.04 -0.24 0.00 -0.60 0.00 0.00 178.31 177.51 1b3c h ASN 25 N 0.00 -0.72 -0.50 0.00 -1.24 -0.60 0.17 115.58 112.69 1b3c h ASN 25 Ca -0.00 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.07 1b3c h ASN 25 Cb 0.58 0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.79 1b3c h ASN 25 CO 0.03 -0.48 0.29 -0.09 -1.29 0.00 0.00 177.43 175.89 1b3c h ARG 26 N -0.78 0.56 -1.00 6.67 2.43 -1.37 -0.59 114.38 120.30 1b3c h ARG 26 Ca -0.08 -0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.27 1b3c h ARG 26 Cb 0.61 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.93 1b3c h ARG 26 CO 0.11 0.37 0.62 1.49 -1.51 0.00 0.00 179.97 181.04 1b3c h GLU 27 N 0.58 0.62 -0.21 0.20 4.57 -1.21 1.17 114.58 120.29 1b3c h GLU 27 Ca 0.20 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1b3c h GLU 27 Cb 0.04 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1b3c h GLU 27 CO -0.10 0.41 -0.09 0.00 -1.18 0.00 0.00 179.01 178.05 1b3c n LYS 29 N -4.27 3.08 -0.06 0.00 4.81 0.39 -4.66 118.16 117.45 1b3c n LYS 29 Ca -0.00 -3.84 0.10 0.00 -0.87 0.00 0.00 58.31 53.70 1b3c n LYS 29 Cb 0.26 -2.27 0.41 0.00 0.02 0.00 0.00 35.03 33.45 1b3c n LYS 29 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1b3c n TRP 30 N -0.65 0.17 -1.98 5.64 -0.00 -0.16 -4.14 117.44 116.31 1b3c n TRP 30 Ca 0.50 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.50 57.85 1b3c n TRP 30 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.84 1b3c n TRP 30 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1b3c n LYS 31 N 0.11 0.00 -3.62 5.87 2.85 -1.26 -5.05 118.16 117.05 1b3c n LYS 31 Ca 0.16 -0.93 -0.33 0.00 -1.05 0.00 0.00 58.31 56.16 1b3c n LYS 31 Cb 0.28 0.48 0.02 0.00 -0.65 0.00 0.00 35.03 35.16 1b3c n LYS 31 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1b3c n HIS 32 N 0.00 -2.43 -0.03 5.58 8.25 -1.26 -4.91 115.22 120.42 1b3c n HIS 32 Ca -0.26 1.01 -0.04 0.00 -0.26 0.00 0.00 57.72 58.17 1b3c n HIS 32 Cb 0.68 -2.22 -0.03 0.00 1.12 0.00 0.00 29.99 29.53 1b3c n HIS 32 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1b3c n ILE 33 N -1.22 0.37 0.00 1.59 2.08 -1.26 -5.05 119.36 115.87 1b3c n ILE 33 Ca -0.18 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 62.98 1b3c n ILE 33 Cb 0.69 -0.74 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1b3c n GLY 34 N 3.13 -0.93 2.92 7.39 0.00 -1.26 -4.82 105.19 111.62 1b3c n GLY 34 Ca -0.11 0.39 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 1b3c n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b3c s GLY 35 N 0.00 -0.03 -0.08 -0.02 0.00 -1.25 -3.69 107.32 102.25 1b3c s GLY 35 Ca 0.00 0.65 -0.10 0.00 0.00 0.00 0.00 44.72 45.27 1b3c s GLY 35 CO 0.00 0.96 -0.20 -1.14 0.00 0.00 0.00 173.10 172.72 1b3c n SER 36 N 4.16 1.35 -4.14 1.64 3.41 -1.07 -4.90 113.62 114.06 1b3c n SER 36 Ca -0.26 0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 58.25 1b3c n SER 36 Cb 0.52 -0.57 -0.16 0.00 -0.26 0.00 0.00 64.21 63.73 1b3c n SER 36 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1b3c s TYR 37 N -2.31 2.58 -0.00 7.33 6.14 -1.17 -4.99 117.35 124.93 1b3c s TYR 37 Ca -0.17 -1.33 0.02 0.00 0.64 0.00 0.00 57.07 56.24 1b3c s TYR 37 Cb 0.02 -1.77 -0.01 0.00 0.42 0.00 0.00 41.96 40.63 1b3c s TYR 37 CO 0.25 -0.62 -0.07 0.20 0.64 0.00 0.00 175.55 175.95 1b3c s GLY 38 N 0.92 0.33 0.00 8.97 0.00 -1.26 -0.93 107.32 115.35 1b3c s GLY 38 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1b3c s GLY 38 CO -0.04 -0.25 0.00 1.58 0.00 0.00 0.00 173.10 174.40 1b3c n TYR 39 N 2.89 -0.52 -3.95 1.90 0.18 -1.04 -3.51 117.16 113.10 1b3c n TYR 39 Ca -0.13 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.29 1b3c n TYR 39 Cb 0.58 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.46 1b3c n TYR 39 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1b3c s TYR 41 N -0.48 -0.26 -1.40 0.00 5.04 0.45 -3.09 117.35 117.61 1b3c s TYR 41 Ca 0.11 0.69 -0.06 0.00 -2.44 0.00 0.00 57.07 55.38 1b3c s TYR 41 Cb -0.12 -0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.13 1b3c s TYR 41 CO 0.02 -0.25 0.83 0.41 -1.34 0.00 0.00 175.55 175.21 1b3c n GLY 42 N 4.78 -0.38 3.70 8.97 0.00 -1.26 -1.45 105.19 119.55 1b3c n GLY 42 Ca -0.16 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1b3c n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b3c n PHE 43 N -4.46 -2.15 -3.55 1.61 3.01 -1.26 -4.97 117.46 105.68 1b3c n PHE 43 Ca -0.16 0.89 -0.12 0.00 1.01 0.00 0.00 57.45 59.07 1b3c n PHE 43 Cb 0.61 -4.48 -0.04 0.00 -0.01 0.00 0.00 39.48 35.56 1b3c n PHE 43 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1b3c s GLY 44 N -4.01 -0.43 -0.47 1.37 0.00 -0.53 -3.56 107.32 99.70 1b3c s GLY 44 Ca 0.22 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 45.13 1b3c s GLY 44 CO 0.79 0.10 0.64 0.00 0.00 0.00 0.00 173.10 174.63 1b3c s TYR 46 N 2.79 3.03 0.05 0.00 5.04 -0.98 -1.54 117.35 125.75 1b3c s TYR 46 Ca 0.20 -0.28 0.09 0.00 -2.44 0.00 0.00 57.07 54.64 1b3c s TYR 46 Cb -0.16 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.16 1b3c s TYR 46 CO 0.16 -0.02 -0.24 0.00 -1.34 0.00 0.00 175.55 174.12 1b3c s GLU 48 N -1.41 2.91 0.00 0.00 8.01 -0.10 -0.91 118.70 127.20 1b3c s GLU 48 Ca 0.13 -0.90 0.00 0.00 0.01 0.00 0.00 54.97 54.21 1b3c s GLU 48 Cb -0.10 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 26.99 1b3c s GLU 48 CO 0.04 -0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.43 1b3c n GLY 49 N 4.62 1.07 3.44 -1.39 0.00 -1.25 -2.60 105.19 109.09 1b3c n GLY 49 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1b3c n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b3c s LEU 50 N 0.00 5.07 1.12 0.99 1.02 -1.18 -3.78 118.68 121.92 1b3c s LEU 50 Ca 0.00 -0.93 -0.15 0.00 0.02 0.00 0.00 54.13 53.07 1b3c s LEU 50 Cb 0.00 -2.39 0.18 0.00 0.02 0.00 0.00 46.19 44.01 1b3c s LEU 50 CO 0.00 -0.77 0.58 -2.65 0.02 0.00 0.00 176.35 173.52 1b3c n PRO 51 N 5.85 -1.78 0.05 1.29 -0.01 -1.26 -4.43 135.00 134.71 1b3c n PRO 51 Ca -0.08 -0.49 0.05 0.00 -0.01 0.00 0.00 63.50 62.97 1b3c n PRO 51 Cb 0.45 -1.97 0.23 0.00 -0.01 0.00 0.00 33.50 32.20 1b3c n PRO 51 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 1b3c n ASP 52 N -3.30 0.20 0.06 2.55 -0.08 -1.26 -1.00 116.55 113.72 1b3c n ASP 52 Ca 0.03 0.58 0.12 0.00 -1.51 0.00 0.00 54.79 54.01 1b3c n ASP 52 Cb 0.57 -0.61 0.04 0.00 2.34 0.00 0.00 41.12 43.46 1b3c n ASP 52 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1b3c n SER 53 N -1.76 0.69 -4.77 1.67 3.41 -1.26 -4.88 113.62 106.72 1b3c n SER 53 Ca 0.00 0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.32 1b3c n SER 53 Cb 0.04 0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1b3c s THR 54 N -3.27 4.28 0.07 6.66 2.01 -0.17 -5.05 115.64 120.16 1b3c s THR 54 Ca 0.02 1.80 -0.10 0.00 0.31 0.00 0.00 61.69 63.73 1b3c s THR 54 Cb 0.12 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 1b3c s THR 54 CO 0.78 0.48 0.39 -1.58 -0.69 0.00 0.00 174.62 174.00 1b3c s GLN 55 N -1.25 3.75 0.27 4.92 2.00 -1.26 -4.84 119.66 123.24 1b3c s GLN 55 Ca 0.38 0.15 0.05 0.00 -2.00 0.00 0.00 55.36 53.95 1b3c s GLN 55 Cb -0.23 -3.01 -0.02 0.00 0.80 0.00 0.00 33.01 30.55 1b3c s GLN 55 CO 0.28 0.57 0.18 -2.37 -0.50 0.00 0.00 175.29 173.45 1b3c n THR 56 N 0.93 0.00 -3.55 -0.34 5.66 -1.26 -4.80 114.28 110.92 1b3c n THR 56 Ca -0.08 -1.84 -0.32 0.00 -3.05 0.00 0.00 64.05 58.76 1b3c n THR 56 Cb 0.52 0.85 -0.05 0.00 -1.55 0.00 0.00 70.33 70.10 1b3c n THR 56 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1b3c s TRP 57 N -2.94 3.45 0.95 1.09 -0.00 0.24 -3.98 118.94 117.75 1b3c s TRP 57 Ca 0.26 0.70 -0.15 0.00 -0.00 0.00 0.00 56.10 56.92 1b3c s TRP 57 Cb 0.01 -2.12 0.17 0.00 -0.00 0.00 0.00 33.47 31.53 1b3c s TRP 57 CO 0.18 0.35 1.23 -1.25 -0.00 0.00 0.00 176.95 177.47 1b3c s PRO 58 N -2.74 0.77 0.71 5.86 0.04 -1.26 -4.24 135.00 134.14 1b3c s PRO 58 Ca 0.44 -0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.35 1b3c s PRO 58 Cb -0.12 -1.83 0.12 0.00 0.04 0.00 0.00 34.50 32.71 1b3c s PRO 58 CO 0.23 -2.37 0.99 -0.51 0.04 0.00 0.00 177.00 175.37 1b3c s LEU 59 N -5.99 2.99 0.00 -3.56 1.02 -1.26 -5.07 118.68 106.81 1b3c s LEU 59 Ca 0.69 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.58 1b3c s LEU 59 Cb -0.08 -2.15 0.00 0.00 0.02 0.00 0.00 46.19 43.98 1b3c s LEU 59 CO 0.53 -1.81 0.00 -2.65 0.02 0.00 0.00 176.35 172.43 1b3c n PRO 60 N -2.83 0.27 -0.19 1.29 -0.02 -1.26 -4.34 135.00 127.91 1b3c n PRO 60 Ca 0.14 0.00 0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1b3c n PRO 60 Cb 0.60 0.00 0.72 0.00 -0.02 0.00 0.00 33.50 34.81 1b3c n PRO 60 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1b3c h ASN 61 N -1.00 0.00 -0.62 2.55 -0.73 -2.06 -1.42 115.58 112.29 1b3c h ASN 61 Ca 0.00 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.67 1b3c h ASN 61 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 38.49 1b3c h ASN 61 CO 0.00 0.00 1.18 2.29 -0.37 0.00 0.00 177.43 180.53 1b3c n LYS 62 N -4.10 2.99 -0.73 6.67 2.85 -1.26 -4.93 118.16 119.66 1b3c n LYS 62 Ca 0.19 -2.20 -0.08 0.00 -1.05 0.00 0.00 58.31 55.17 1b3c n LYS 62 Cb 1.04 -2.32 0.05 0.00 -0.65 0.00 0.00 35.03 33.16 1b3c n LYS 62 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1b3c n THR 63 N 1.94 0.00 0.93 0.58 5.66 -0.54 -4.87 114.28 117.99 1b3c n THR 63 Ca 0.55 -0.33 0.11 0.00 -3.05 0.00 0.00 64.05 61.33 1b3c n THR 63 Cb 0.53 -1.69 0.09 0.00 -1.55 0.00 0.00 70.33 67.72 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02