#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 5.38 0.24 3.14 1.01 -1.26 -1.12 116.67 124.05 1b3c s ASP 2 Ca 0.00 -0.13 -0.09 0.00 0.71 0.00 0.00 52.55 53.04 1b3c s ASP 2 Cb 0.00 -1.38 0.04 0.00 1.01 0.00 0.00 42.92 42.59 1b3c s ASP 2 CO 0.00 0.12 0.48 0.61 0.21 0.00 0.00 175.17 176.58 1b3c n GLY 3 N 0.04 1.38 2.79 0.21 0.00 -0.29 -4.92 105.19 104.39 1b3c n GLY 3 Ca -0.09 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.87 2.40 0.33 1.61 2.02 -1.26 -2.05 117.35 115.52 1b3c s TYR 4 Ca 0.10 -2.69 -0.27 0.00 -0.37 0.00 0.00 57.07 53.84 1b3c s TYR 4 Cb -0.03 -2.19 -0.13 0.00 -0.40 0.00 0.00 41.96 39.21 1b3c s TYR 4 CO 0.07 -0.76 0.99 1.28 -1.57 0.00 0.00 175.55 175.56 1b3c n LEU 5 N 3.33 1.91 0.00 -1.29 4.77 -1.21 0.18 117.00 124.69 1b3c n LEU 5 Ca 0.08 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1b3c n LEU 5 Cb 0.34 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1b3c n LEU 5 CO 0.27 -1.48 0.00 1.33 -1.33 0.00 0.00 177.39 176.18 1b3c n VAL 6 N 0.00 0.00 -3.71 4.08 0.24 -1.26 -4.44 118.33 113.24 1b3c n VAL 6 Ca 0.09 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.19 1b3c n VAL 6 Cb 0.34 -1.28 -0.02 0.00 -1.47 0.00 0.00 33.84 31.41 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 -0.60 2.93 0.58 7.34 2.12 0.33 -4.82 118.70 126.58 1b3c s GLU 7 Ca 0.00 -1.14 0.32 0.00 0.36 0.00 0.00 54.97 54.51 1b3c s GLU 7 Cb 0.00 -2.64 1.37 0.00 0.26 0.00 0.00 34.13 33.12 1b3c s GLU 7 CO 0.00 0.12 1.70 0.87 -0.54 0.00 0.00 175.26 177.41 1b3c h LYS 8 N 1.12 0.00 -0.01 4.30 6.56 -1.94 1.44 116.57 128.05 1b3c h LYS 8 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1b3c h LYS 8 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1b3c h LYS 8 CO 0.56 0.00 -0.31 0.25 -2.06 0.00 0.00 179.45 177.89 1b3c n THR 9 N -3.72 0.00 0.00 -0.16 -2.24 -1.26 -4.92 114.28 101.98 1b3c n THR 9 Ca 0.19 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1b3c n THR 9 Cb 1.13 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1b3c n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b3c n GLY 10 N 1.36 0.79 3.59 3.38 0.00 0.49 -4.91 105.19 109.89 1b3c n GLY 10 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1b3c n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c n LYS 12 N -4.81 0.11 -3.22 0.00 2.85 -1.26 0.12 118.16 111.96 1b3c n LYS 12 Ca 0.14 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.19 1b3c n LYS 12 Cb 0.60 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.91 1b3c n LYS 12 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1b3c n LYS 13 N -0.90 0.36 -2.43 -1.58 4.76 -1.26 -4.05 118.16 113.06 1b3c n LYS 13 Ca 0.00 -2.91 -0.31 0.00 -2.87 0.00 0.00 58.31 52.22 1b3c n LYS 13 Cb 0.00 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 31.62 1b3c n LYS 13 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1b3c s THR 14 N 0.03 4.69 0.41 -0.18 2.01 -1.26 -1.16 115.64 120.17 1b3c s THR 14 Ca 0.33 0.84 0.03 0.00 0.31 0.00 0.00 61.69 63.20 1b3c s THR 14 Cb 0.06 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1b3c s THR 14 CO -0.16 -0.77 0.10 0.00 -0.69 0.00 0.00 174.62 173.10 1b3c n TYR 16 N -0.91 0.08 -2.69 0.00 4.01 -1.26 -4.76 117.16 111.63 1b3c n TYR 16 Ca -0.07 0.03 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1b3c n TYR 16 Cb 0.65 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1b3c n TYR 16 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1b3c s LYS 17 N -2.45 4.58 0.00 -0.72 -2.85 -1.26 -5.00 119.74 112.04 1b3c s LYS 17 Ca -0.22 1.46 0.00 0.00 -1.00 0.00 0.00 55.97 56.22 1b3c s LYS 17 Cb 0.03 -3.43 0.00 0.00 -2.06 0.00 0.00 37.83 32.37 1b3c s LYS 17 CO 0.32 -0.00 0.00 1.28 0.10 0.00 0.00 175.35 177.05 1b3c n LEU 18 N 3.61 0.00 0.00 2.77 4.77 -1.26 -4.79 117.00 122.10 1b3c n LEU 18 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1b3c n LEU 18 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1b3c n LEU 18 CO 0.52 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1b3c n GLY 19 N 5.00 -2.12 3.46 -0.72 0.00 -1.25 -4.56 105.19 105.00 1b3c n GLY 19 Ca 0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.13 0.18 -2.64 1.61 4.07 -1.26 -3.83 120.64 118.64 1b3c n GLU 20 Ca 0.00 -1.04 -0.42 0.00 -0.06 0.00 0.00 57.16 55.65 1b3c n GLU 20 Cb 0.00 -3.09 -0.03 0.00 -0.06 0.00 0.00 31.44 28.26 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1b3c s ASN 21 N 6.83 6.48 0.31 4.31 3.84 -1.26 -4.85 114.94 130.60 1b3c s ASN 21 Ca 0.75 -1.44 0.07 0.00 0.21 0.00 0.00 52.86 52.45 1b3c s ASN 21 Cb -0.13 -2.53 0.86 0.00 -0.55 0.00 0.00 41.25 38.90 1b3c s ASN 21 CO 0.16 -1.46 1.66 -0.78 -2.79 0.00 0.00 177.10 173.90 1b3c h ASP 22 N 9.63 0.24 -0.50 -4.21 3.58 -1.92 -1.36 116.42 121.88 1b3c h ASP 22 Ca 0.12 0.19 0.05 0.00 0.42 0.00 0.00 57.03 57.81 1b3c h ASP 22 Cb 1.02 0.20 -0.06 0.00 1.72 0.00 0.00 39.33 42.21 1b3c h ASP 22 CO 1.34 -0.13 -0.31 0.15 -2.88 0.00 0.00 179.24 177.41 1b3c h PHE 23 N 0.28 -0.99 -0.18 0.28 3.04 -1.97 1.04 116.94 118.44 1b3c h PHE 23 Ca 0.63 0.07 -0.03 0.00 3.98 0.00 0.00 57.97 62.61 1b3c h PHE 23 Cb 1.33 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 40.33 1b3c h PHE 23 CO -0.15 -0.20 -0.00 0.00 -2.02 0.00 0.00 178.31 175.94 1b3c h ASN 25 N 0.07 -1.66 -0.69 0.00 -0.73 -0.15 1.13 115.58 113.55 1b3c h ASN 25 Ca 0.05 0.21 0.14 0.00 1.87 0.00 0.00 56.30 58.57 1b3c h ASN 25 Cb 0.39 0.66 -0.10 0.00 0.27 0.00 0.00 38.32 39.54 1b3c h ASN 25 CO 0.01 -0.46 0.15 0.03 -0.37 0.00 0.00 177.43 176.79 1b3c h ARG 26 N -0.53 0.26 -0.31 6.67 3.08 0.11 0.81 114.38 124.46 1b3c h ARG 26 Ca 0.05 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1b3c h ARG 26 Cb 0.66 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1b3c h ARG 26 CO -0.46 0.17 -0.05 1.49 -1.07 0.00 0.00 179.97 180.04 1b3c h GLU 27 N 0.26 0.58 0.00 0.04 4.81 -0.79 -2.17 114.58 117.31 1b3c h GLU 27 Ca 0.38 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1b3c h GLU 27 Cb 0.61 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1b3c h GLU 27 CO -0.47 0.76 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 1b3c n LYS 29 N -1.08 2.56 0.00 0.00 4.81 0.27 -4.28 118.16 120.45 1b3c n LYS 29 Ca 0.16 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.61 1b3c n LYS 29 Cb 0.11 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 32.98 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1b3c n TRP 30 N -0.16 -2.16 -0.67 5.64 5.03 -1.24 -4.86 117.44 119.02 1b3c n TRP 30 Ca 0.52 0.00 0.03 0.00 3.03 0.00 0.00 57.50 61.09 1b3c n TRP 30 Cb 0.43 0.00 0.05 0.00 -1.03 0.00 0.00 31.31 30.75 1b3c n TRP 30 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1b3c n LYS 31 N -0.66 1.77 0.00 -0.99 4.81 -1.26 -4.03 118.16 117.81 1b3c n LYS 31 Ca 0.00 -1.69 0.00 0.00 -0.87 0.00 0.00 58.31 55.75 1b3c n LYS 31 Cb 0.00 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1b3c n LYS 31 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1b3c n HIS 32 N -0.71 0.00 0.00 5.64 -0.00 -1.26 -4.86 115.22 114.03 1b3c n HIS 32 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1b3c n HIS 32 Cb 0.45 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 1b3c n HIS 32 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1b3c n ILE 33 N 0.00 0.00 0.00 3.57 2.08 -1.26 -5.06 119.36 118.68 1b3c n ILE 33 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1b3c n ILE 33 Cb 0.46 0.11 0.00 0.00 -0.75 0.00 0.00 39.64 39.46 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 2.52 0.86 3.02 7.39 0.00 -1.26 -4.24 105.19 113.47 1b3c n GLY 34 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1b3c n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3c n GLY 35 N 0.00 4.49 0.26 -0.02 0.00 -1.26 -4.54 105.19 104.13 1b3c n GLY 35 Ca 0.00 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1b3c n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b3c n SER 36 N 3.99 2.25 -3.40 1.61 3.41 -1.26 -4.96 113.62 115.27 1b3c n SER 36 Ca 0.38 0.02 0.01 0.00 -0.26 0.00 0.00 58.87 59.02 1b3c n SER 36 Cb 0.37 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.24 -1.47 -0.11 7.33 6.14 -1.26 -5.01 117.35 120.73 1b3c s TYR 37 Ca -0.17 2.00 -0.05 0.00 0.64 0.00 0.00 57.07 59.49 1b3c s TYR 37 Cb 0.05 0.68 0.05 0.00 0.42 0.00 0.00 41.96 43.16 1b3c s TYR 37 CO 0.26 -0.77 0.26 0.20 0.64 0.00 0.00 175.55 176.14 1b3c s GLY 38 N 2.87 -0.15 0.00 8.97 0.00 -1.26 0.89 107.32 118.64 1b3c s GLY 38 Ca 0.08 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1b3c s GLY 38 CO -0.20 1.30 0.00 1.58 0.00 0.00 0.00 173.10 175.78 1b3c n TYR 39 N 4.26 -0.30 -4.05 1.90 4.11 -0.81 -3.46 117.16 118.81 1b3c n TYR 39 Ca -0.25 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.31 1b3c n TYR 39 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.77 1b3c n TYR 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b3c s TYR 41 N 0.28 1.08 -0.96 0.00 5.04 -0.39 -3.96 117.35 118.43 1b3c s TYR 41 Ca 0.03 -0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 54.05 1b3c s TYR 41 Cb -0.12 -1.02 0.00 0.00 0.35 0.00 0.00 41.96 41.17 1b3c s TYR 41 CO 0.00 -0.47 0.82 0.41 -1.34 0.00 0.00 175.55 174.97 1b3c n GLY 42 N 5.04 -0.17 3.20 8.97 0.00 -1.26 -3.70 105.19 117.27 1b3c n GLY 42 Ca -0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.83 -2.85 0.00 1.61 3.01 -1.26 -5.01 117.46 109.13 1b3c n PHE 43 Ca -0.12 1.11 0.00 0.00 1.01 0.00 0.00 57.45 59.46 1b3c n PHE 43 Cb 0.59 -3.74 0.00 0.00 -0.01 0.00 0.00 39.48 36.32 1b3c n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b3c n GLY 44 N -1.47 1.80 3.57 1.37 0.00 -1.24 -4.47 105.19 104.74 1b3c n GLY 44 Ca -0.05 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1b3c n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c s TYR 46 N 5.53 2.82 0.25 0.00 5.04 0.02 -3.31 117.35 127.70 1b3c s TYR 46 Ca 0.43 -0.99 0.11 0.00 -2.44 0.00 0.00 57.07 54.18 1b3c s TYR 46 Cb -0.08 -1.92 -0.05 0.00 0.35 0.00 0.00 41.96 40.26 1b3c s TYR 46 CO 0.22 -0.46 -0.20 0.00 -1.34 0.00 0.00 175.55 173.78 1b3c n GLU 48 N -0.44 3.38 -0.87 0.00 4.71 0.26 -1.14 120.64 126.54 1b3c n GLU 48 Ca -0.07 -4.64 -0.05 0.00 -0.01 0.00 0.00 57.16 52.40 1b3c n GLU 48 Cb 0.59 -2.25 -0.05 0.00 -1.01 0.00 0.00 31.44 28.72 1b3c n GLU 48 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b3c n GLY 49 N -0.37 0.25 3.55 0.62 0.00 -0.28 -4.28 105.19 104.68 1b3c n GLY 49 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 4.39 0.67 0.99 1.43 -1.16 -4.08 118.68 120.91 1b3c s LEU 50 Ca 0.00 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 1b3c s LEU 50 Cb 0.00 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1b3c s LEU 50 CO 0.00 -0.29 0.59 -2.65 0.23 0.00 0.00 176.35 174.22 1b3c n PRO 51 N 5.32 0.43 -0.13 1.29 -0.02 -1.26 -4.76 135.00 135.88 1b3c n PRO 51 Ca -0.10 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.48 1b3c n PRO 51 Cb 0.50 -1.84 -0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1b3c n PRO 51 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1b3c h ASP 52 N -0.11 0.48 0.02 2.55 3.58 -1.98 -2.11 116.42 118.85 1b3c h ASP 52 Ca -0.46 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 56.91 1b3c h ASP 52 Cb 1.36 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 1b3c h ASP 52 CO 0.45 0.42 -0.00 0.28 -2.88 0.00 0.00 179.24 177.51 1b3c h SER 53 N 0.50 0.00 -4.30 2.28 0.02 -2.05 -3.43 113.55 106.57 1b3c h SER 53 Ca 0.14 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.57 1b3c h SER 53 Cb 0.05 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.72 1b3c h SER 53 CO -0.02 0.00 0.31 -0.89 -1.14 0.00 0.00 176.83 175.09 1b3c s THR 54 N -4.21 3.18 0.50 -2.27 2.01 -0.80 -5.03 115.64 109.03 1b3c s THR 54 Ca -0.05 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 1b3c s THR 54 Cb 0.13 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1b3c s THR 54 CO 0.43 -0.49 0.77 -1.58 -0.69 0.00 0.00 174.62 173.06 1b3c s GLN 55 N -4.81 3.12 -0.04 4.92 2.00 -1.26 -4.96 119.66 118.62 1b3c s GLN 55 Ca 0.62 -0.18 -0.29 0.00 -2.00 0.00 0.00 55.36 53.51 1b3c s GLN 55 Cb -0.18 -2.43 0.11 0.00 0.80 0.00 0.00 33.01 31.31 1b3c s GLN 55 CO 0.55 -0.39 0.89 -0.08 -0.50 0.00 0.00 175.29 175.76 1b3c s THR 56 N -2.73 0.00 0.50 -0.34 -1.32 -1.26 -4.78 115.64 105.70 1b3c s THR 56 Ca 0.50 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.78 1b3c s THR 56 Cb -0.10 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.81 1b3c s THR 56 CO 0.42 0.00 1.06 0.86 -2.21 0.00 0.00 174.62 174.74 1b3c s TRP 57 N -2.49 2.93 1.07 9.09 -0.00 0.47 -4.18 118.94 125.84 1b3c s TRP 57 Ca 0.02 1.57 -0.18 0.00 -0.00 0.00 0.00 56.10 57.51 1b3c s TRP 57 Cb -0.01 -3.11 0.25 0.00 -0.00 0.00 0.00 33.47 30.60 1b3c s TRP 57 CO -0.05 -0.99 1.27 -1.25 -0.00 0.00 0.00 176.95 175.94 1b3c s PRO 58 N -3.24 -0.24 0.64 5.86 0.04 -1.26 -4.20 135.00 132.61 1b3c s PRO 58 Ca 0.68 -0.40 -0.01 0.00 0.04 0.00 0.00 61.00 61.31 1b3c s PRO 58 Cb -0.18 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1b3c s PRO 58 CO 0.21 -3.01 0.90 -0.51 0.04 0.00 0.00 177.00 174.64 1b3c s LEU 59 N -6.30 3.09 0.00 -3.56 1.02 -1.26 -5.08 118.68 106.58 1b3c s LEU 59 Ca 0.75 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.82 1b3c s LEU 59 Cb -0.04 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.61 1b3c s LEU 59 CO 0.54 -1.50 0.00 -2.65 0.02 0.00 0.00 176.35 172.76 1b3c n PRO 60 N -2.63 -0.29 -0.05 1.29 -0.02 -1.26 -4.63 135.00 127.41 1b3c n PRO 60 Ca 0.11 0.00 0.24 0.00 -2.02 0.00 0.00 63.50 61.83 1b3c n PRO 60 Cb 0.60 0.00 0.63 0.00 -0.02 0.00 0.00 33.50 34.71 1b3c n PRO 60 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1b3c h ASN 61 N -1.06 0.00 -1.86 2.55 -0.26 -2.06 -3.22 115.58 109.67 1b3c h ASN 61 Ca 0.00 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 55.08 1b3c h ASN 61 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.12 1b3c h ASN 61 CO 0.00 0.00 1.18 -0.54 -1.06 0.00 0.00 177.43 177.01 1b3c s LYS 62 N -4.55 3.66 0.55 0.81 1.02 -1.26 -5.00 119.74 114.97 1b3c s LYS 62 Ca -0.04 -1.63 -0.14 0.00 0.02 0.00 0.00 55.97 54.18 1b3c s LYS 62 Cb 0.15 -5.12 -0.06 0.00 -0.52 0.00 0.00 37.83 32.28 1b3c s LYS 62 CO 0.52 -1.95 1.00 0.99 -0.92 0.00 0.00 175.35 175.00 1b3c s THR 63 N 3.45 4.60 -2.00 2.17 2.01 -1.22 -4.72 115.64 119.92 1b3c s THR 63 Ca 0.39 1.09 0.06 0.00 0.31 0.00 0.00 61.69 63.54 1b3c s THR 63 Cb -0.02 -3.78 0.16 0.00 0.01 0.00 0.00 72.50 68.87 1b3c s THR 63 CO -0.08 -0.86 0.81 0.00 -0.69 0.00 0.00 174.62 173.81