#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 6.90 0.00 -5.58 1.11 -1.26 -2.77 116.67 115.07 1b3c s ASP 2 Ca 0.00 1.13 0.00 0.00 0.18 0.00 0.00 52.55 53.86 1b3c s ASP 2 Cb 0.00 -2.31 0.00 0.00 1.07 0.00 0.00 42.92 41.68 1b3c s ASP 2 CO 0.00 0.16 0.00 0.61 1.18 0.00 0.00 175.17 177.12 1b3c n GLY 3 N 1.09 1.76 3.60 0.21 0.00 -0.84 -4.97 105.19 106.02 1b3c n GLY 3 Ca -0.07 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.81 2.90 0.63 1.61 2.02 -1.26 -1.26 117.35 118.17 1b3c s TYR 4 Ca 0.00 -0.03 -0.08 0.00 -0.37 0.00 0.00 57.07 56.59 1b3c s TYR 4 Cb 0.00 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1b3c s TYR 4 CO 0.00 0.37 0.96 -0.51 -1.57 0.00 0.00 175.55 174.81 1b3c s LEU 5 N -1.37 3.11 0.00 -1.29 1.43 -1.17 0.21 118.68 119.59 1b3c s LEU 5 Ca 0.17 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1b3c s LEU 5 Cb -0.11 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 1b3c s LEU 5 CO 0.07 -1.18 0.00 1.33 0.23 0.00 0.00 176.35 176.80 1b3c n VAL 6 N -2.73 0.00 -4.42 -1.59 0.24 -1.26 -4.25 118.33 104.32 1b3c n VAL 6 Ca 0.05 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 1b3c n VAL 6 Cb 0.58 0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.85 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 -2.04 1.60 0.59 7.34 -6.30 -1.08 -4.91 118.70 113.89 1b3c s GLU 7 Ca 0.00 -1.88 0.29 0.00 -2.50 0.00 0.00 54.97 50.88 1b3c s GLU 7 Cb 0.00 -0.75 1.42 0.00 0.00 0.00 0.00 34.13 34.79 1b3c s GLU 7 CO 0.00 -0.20 1.82 1.57 0.02 0.00 0.00 175.26 178.46 1b3c h LYS 8 N 2.18 0.00 0.00 4.30 2.10 -1.98 1.43 116.57 124.59 1b3c h LYS 8 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1b3c h LYS 8 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1b3c h LYS 8 CO 0.68 0.00 -0.38 0.25 -2.00 0.00 0.00 179.45 178.00 1b3c n THR 9 N -3.70 0.01 0.00 0.07 -2.24 -1.26 -4.91 114.28 102.25 1b3c n THR 9 Ca 0.12 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1b3c n THR 9 Cb 0.83 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.50 3.00 3.77 3.38 0.00 0.49 -4.60 105.19 112.73 1b3c n GLY 10 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.23 -0.57 -3.09 0.00 2.85 -1.26 -2.64 118.16 113.21 1b3c n LYS 12 Ca 0.06 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.14 1b3c n LYS 12 Cb 0.48 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.84 1b3c n LYS 12 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1b3c n LYS 13 N -1.23 0.87 -1.30 -1.58 4.81 -1.26 -4.64 118.16 113.83 1b3c n LYS 13 Ca 0.00 -2.99 -0.44 0.00 -0.87 0.00 0.00 58.31 54.00 1b3c n LYS 13 Cb 0.00 -1.44 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 1b3c n LYS 13 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1b3c n THR 14 N 0.80 1.61 -4.51 3.15 -1.04 -1.26 -4.20 114.28 108.84 1b3c n THR 14 Ca 0.20 -0.47 -0.26 0.00 -2.04 0.00 0.00 64.05 61.48 1b3c n THR 14 Cb 0.62 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.96 1b3c n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b3c h TYR 16 N 7.17 0.00 -0.28 0.00 0.05 -1.93 -3.36 116.97 118.62 1b3c h TYR 16 Ca -0.30 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.86 1b3c h TYR 16 Cb 1.18 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1b3c h TYR 16 CO 0.48 0.76 2.30 1.63 -1.05 0.00 0.00 178.16 182.28 1b3c n LYS 17 N -3.16 2.31 -0.70 4.88 4.76 -1.26 -4.95 118.16 120.05 1b3c n LYS 17 Ca -0.04 -2.52 -0.30 0.00 -2.87 0.00 0.00 58.31 52.58 1b3c n LYS 17 Cb 0.88 -3.32 0.20 0.00 -1.84 0.00 0.00 35.03 30.95 1b3c n LYS 17 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1b3c s LEU 18 N 4.06 1.96 0.00 -0.35 1.43 -1.26 -4.46 118.68 120.05 1b3c s LEU 18 Ca 0.56 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1b3c s LEU 18 Cb 0.09 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1b3c s LEU 18 CO 0.05 -3.50 0.00 0.61 0.23 0.00 0.00 176.35 173.75 1b3c n GLY 19 N 0.29 -2.33 3.49 -3.19 0.00 -1.01 -4.67 105.19 97.76 1b3c n GLY 19 Ca 0.08 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.22 0.25 -2.88 1.61 0.00 -1.26 -3.26 120.64 114.87 1b3c n GLU 20 Ca 0.00 -0.52 -0.44 0.00 0.00 0.00 0.00 57.16 56.20 1b3c n GLU 20 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 31.44 29.00 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1b3c s ASN 21 N 5.44 6.73 0.30 4.31 3.84 -1.26 -4.86 114.94 129.44 1b3c s ASN 21 Ca 1.00 -2.23 0.04 0.00 0.21 0.00 0.00 52.86 51.88 1b3c s ASN 21 Cb -0.40 -2.42 0.77 0.00 -0.55 0.00 0.00 41.25 38.65 1b3c s ASN 21 CO 0.28 -1.04 1.66 0.44 -2.79 0.00 0.00 177.10 175.64 1b3c h ASP 22 N 8.48 0.12 -0.19 -4.21 5.19 -1.90 0.63 116.42 124.54 1b3c h ASP 22 Ca 0.21 0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.84 1b3c h ASP 22 Cb 0.98 0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.67 1b3c h ASP 22 CO 1.19 -0.13 -0.41 0.15 -3.12 0.00 0.00 179.24 176.91 1b3c h PHE 23 N 0.25 -1.24 -0.67 4.55 3.04 -1.97 0.50 116.94 121.39 1b3c h PHE 23 Ca 0.58 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.60 1b3c h PHE 23 Cb 1.19 0.57 -0.04 0.00 2.56 0.00 0.00 35.95 40.24 1b3c h PHE 23 CO -0.21 -0.39 0.44 0.00 -2.02 0.00 0.00 178.31 176.13 1b3c h ASN 25 N 0.89 -0.17 -0.07 0.00 -0.73 0.48 0.22 115.58 116.21 1b3c h ASN 25 Ca 0.25 0.12 0.02 0.00 1.87 0.00 0.00 56.30 58.56 1b3c h ASN 25 Cb -0.07 0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 1b3c h ASN 25 CO -0.07 -0.06 -0.07 -0.09 -0.37 0.00 0.00 177.43 176.78 1b3c h ARG 26 N 0.14 -0.08 -0.56 6.67 9.65 0.47 -0.88 114.38 129.78 1b3c h ARG 26 Ca 0.26 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.12 1b3c h ARG 26 Cb 0.39 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 1b3c h ARG 26 CO -0.41 -0.05 0.24 0.93 2.80 0.00 0.00 179.97 183.47 1b3c h GLU 27 N -0.08 0.81 -0.37 0.20 4.39 -0.99 0.34 114.58 118.88 1b3c h GLU 27 Ca 0.05 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1b3c h GLU 27 Cb 0.16 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1b3c h GLU 27 CO -0.12 0.65 -0.11 0.00 -1.16 0.00 0.00 179.01 178.27 1b3c h LYS 29 N 0.58 0.00 0.00 0.00 3.64 -0.61 -3.27 116.57 116.92 1b3c h LYS 29 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1b3c h LYS 29 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1b3c h LYS 29 CO 0.03 0.00 0.00 0.91 -2.27 0.00 0.00 179.45 178.12 1b3c n TRP 30 N -4.24 -0.33 0.00 1.91 5.03 0.06 -3.76 117.44 116.10 1b3c n TRP 30 Ca -0.01 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 1b3c n TRP 30 Cb 0.02 0.12 0.00 0.00 -1.03 0.00 0.00 31.31 30.43 1b3c n TRP 30 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1b3c n LYS 31 N 0.00 1.82 -2.69 -0.99 4.01 -1.26 -4.82 118.16 114.23 1b3c n LYS 31 Ca 0.00 -1.22 -0.05 0.00 -0.51 0.00 0.00 58.31 56.52 1b3c n LYS 31 Cb 0.00 -1.01 0.08 0.00 -0.51 0.00 0.00 35.03 33.59 1b3c n LYS 31 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1b3c n HIS 32 N -0.32 -1.41 0.10 2.13 -0.00 -1.26 -5.04 115.22 109.42 1b3c n HIS 32 Ca 0.00 -1.30 0.00 0.00 0.46 0.00 0.00 57.72 56.88 1b3c n HIS 32 Cb 0.18 1.37 0.00 0.00 -0.12 0.00 0.00 29.99 31.43 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 0.11 0.40 0.00 3.57 5.41 -1.25 -5.10 119.36 122.50 1b3c n ILE 33 Ca -0.06 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1b3c n ILE 33 Cb 0.73 -0.83 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b3c n GLY 34 N 2.22 0.59 3.48 7.39 0.00 -1.26 -4.76 105.19 112.86 1b3c n GLY 34 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.41 1.97 0.05 -0.02 0.00 -1.23 -4.16 107.32 103.52 1b3c s GLY 35 Ca 0.00 -1.60 0.17 0.00 0.00 0.00 0.00 44.72 43.29 1b3c s GLY 35 CO 0.00 0.95 0.77 -1.14 0.00 0.00 0.00 173.10 173.69 1b3c n SER 36 N 5.25 0.78 -3.16 1.64 3.41 -1.26 -4.66 113.62 115.62 1b3c n SER 36 Ca -0.10 0.34 0.05 0.00 -0.26 0.00 0.00 58.87 58.89 1b3c n SER 36 Cb 0.48 0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 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 -2.94 -1.12 -0.07 7.33 5.04 -1.26 -4.96 117.35 119.36 1b3c s TYR 37 Ca -0.03 1.21 -0.09 0.00 -2.44 0.00 0.00 57.07 55.72 1b3c s TYR 37 Cb 0.09 0.40 0.02 0.00 0.35 0.00 0.00 41.96 42.82 1b3c s TYR 37 CO 0.82 -0.61 0.23 0.20 -1.34 0.00 0.00 175.55 174.85 1b3c s GLY 38 N 2.90 -0.15 0.00 8.97 0.00 -1.26 0.19 107.32 117.96 1b3c s GLY 38 Ca 0.11 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1b3c s GLY 38 CO -0.16 0.45 0.00 1.58 0.00 0.00 0.00 173.10 174.97 1b3c n TYR 39 N 2.65 -0.46 -2.84 1.90 0.18 -0.99 -3.52 117.16 114.08 1b3c n TYR 39 Ca -0.14 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.21 1b3c n TYR 39 Cb 0.58 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.50 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 3.78 2.47 0.00 0.00 6.14 0.13 -2.40 117.35 127.47 1b3c s TYR 41 Ca 0.34 -1.90 0.00 0.00 0.64 0.00 0.00 57.07 56.15 1b3c s TYR 41 Cb -0.11 -1.75 0.00 0.00 0.42 0.00 0.00 41.96 40.51 1b3c s TYR 41 CO 0.23 -0.81 0.00 0.41 0.64 0.00 0.00 175.55 176.03 1b3c n GLY 42 N 4.65 0.58 2.95 8.97 0.00 -1.26 -3.69 105.19 117.38 1b3c n GLY 42 Ca -0.09 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.25 -1.67 -3.62 1.61 3.01 -1.26 -4.91 117.46 109.37 1b3c n PHE 43 Ca 0.00 0.30 -0.10 0.00 1.01 0.00 0.00 57.45 58.66 1b3c n PHE 43 Cb 0.45 -3.17 -0.03 0.00 -0.01 0.00 0.00 39.48 36.71 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 -2.45 -0.30 -0.31 1.37 0.00 -1.24 -2.14 107.32 102.25 1b3c s GLY 44 Ca 0.23 0.04 -0.19 0.00 0.00 0.00 0.00 44.72 44.79 1b3c s GLY 44 CO 0.28 -0.12 0.58 0.00 0.00 0.00 0.00 173.10 173.84 1b3c s TYR 46 N 2.51 2.56 0.27 0.00 5.04 -0.48 -3.06 117.35 124.19 1b3c s TYR 46 Ca 0.23 -1.33 0.08 0.00 -2.44 0.00 0.00 57.07 53.61 1b3c s TYR 46 Cb -0.15 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.36 1b3c s TYR 46 CO 0.12 -0.63 0.15 0.00 -1.34 0.00 0.00 175.55 173.85 1b3c n GLU 48 N -1.13 2.75 -0.54 0.00 1.02 0.50 -2.00 120.64 121.25 1b3c n GLU 48 Ca -0.06 -4.26 -0.02 0.00 -0.02 0.00 0.00 57.16 52.80 1b3c n GLU 48 Cb 0.59 -2.01 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1b3c n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b3c n GLY 49 N -0.28 -0.07 3.58 0.62 0.00 -1.25 -4.29 105.19 103.51 1b3c n GLY 49 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 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 4.07 0.88 0.99 1.43 -1.11 -4.36 118.68 120.58 1b3c s LEU 50 Ca 0.00 0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 1b3c s LEU 50 Cb 0.00 -3.13 0.06 0.00 0.03 0.00 0.00 46.19 43.16 1b3c s LEU 50 CO 0.00 -0.85 0.78 -2.65 0.23 0.00 0.00 176.35 173.86 1b3c n PRO 51 N 6.69 -0.15 0.32 1.29 -0.02 -1.26 -2.88 135.00 138.99 1b3c n PRO 51 Ca 0.05 0.01 0.20 0.00 -2.02 0.00 0.00 63.50 61.75 1b3c n PRO 51 Cb 0.48 -2.11 1.10 0.00 -0.02 0.00 0.00 33.50 32.96 1b3c n PRO 51 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b3c h ASP 52 N -1.35 0.00 0.90 2.55 3.32 -1.95 0.56 116.42 120.45 1b3c h ASP 52 Ca -0.44 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 1b3c h ASP 52 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1b3c h ASP 52 CO 0.40 0.00 -0.59 0.77 -1.72 0.00 0.00 179.24 178.09 1b3c h SER 53 N 0.00 0.00 -3.81 6.45 4.64 -2.02 -3.44 113.55 115.37 1b3c h SER 53 Ca 0.01 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.84 1b3c h SER 53 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1b3c h SER 53 CO -0.00 0.59 0.39 -0.89 -0.87 0.00 0.00 176.83 176.06 1b3c s THR 54 N -3.34 3.87 0.10 2.95 2.01 0.18 -5.04 115.64 116.38 1b3c s THR 54 Ca 0.00 1.78 -0.07 0.00 0.31 0.00 0.00 61.69 63.71 1b3c s THR 54 Cb 0.11 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 1b3c s THR 54 CO 0.74 0.35 0.38 -1.58 -0.69 0.00 0.00 174.62 173.82 1b3c s GLN 55 N -1.53 3.68 0.41 4.92 2.00 -1.26 -4.82 119.66 123.06 1b3c s GLN 55 Ca 0.45 0.04 0.04 0.00 -2.00 0.00 0.00 55.36 53.89 1b3c s GLN 55 Cb -0.26 -2.95 -0.04 0.00 0.80 0.00 0.00 33.01 30.56 1b3c s GLN 55 CO 0.33 0.53 0.06 -0.08 -0.50 0.00 0.00 175.29 175.63 1b3c s THR 56 N -1.49 1.13 0.21 -0.34 -1.32 -1.26 -4.60 115.64 107.97 1b3c s THR 56 Ca 0.35 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.70 1b3c s THR 56 Cb -0.13 -2.54 -0.07 0.00 -1.51 0.00 0.00 72.50 68.25 1b3c s THR 56 CO 0.20 0.00 0.60 0.86 -2.21 0.00 0.00 174.62 174.07 1b3c s TRP 57 N -3.08 3.51 1.17 9.09 -0.00 0.56 -3.73 118.94 126.46 1b3c s TRP 57 Ca 0.25 1.06 -0.19 0.00 -0.00 0.00 0.00 56.10 57.22 1b3c s TRP 57 Cb 0.05 -2.39 0.27 0.00 -0.00 0.00 0.00 33.47 31.41 1b3c s TRP 57 CO 0.13 0.31 1.14 -1.25 -0.00 0.00 0.00 176.95 177.27 1b3c s PRO 58 N -2.42 -0.98 0.81 5.86 0.04 -1.26 -4.21 135.00 132.84 1b3c s PRO 58 Ca 0.44 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.28 1b3c s PRO 58 Cb -0.13 -1.63 0.11 0.00 0.04 0.00 0.00 34.50 32.89 1b3c s PRO 58 CO 0.20 -3.55 1.15 -0.51 0.04 0.00 0.00 177.00 174.33 1b3c s LEU 59 N -6.81 2.70 0.00 -3.56 1.02 -1.24 -5.06 118.68 105.73 1b3c s LEU 59 Ca 0.71 0.44 0.00 0.00 0.02 0.00 0.00 54.13 55.31 1b3c s LEU 59 Cb -0.09 -2.86 0.00 0.00 0.02 0.00 0.00 46.19 43.26 1b3c s LEU 59 CO 0.56 -2.01 0.00 -2.65 0.02 0.00 0.00 176.35 172.26 1b3c n PRO 60 N -3.26 1.45 -0.37 1.29 -0.02 -1.26 -4.50 135.00 128.33 1b3c n PRO 60 Ca 0.10 0.00 0.33 0.00 -2.02 0.00 0.00 63.50 61.91 1b3c n PRO 60 Cb 0.60 0.00 0.66 0.00 -0.02 0.00 0.00 33.50 34.75 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 0.00 0.18 -2.03 2.55 -0.73 -2.04 -3.01 115.58 110.50 1b3c h ASN 61 Ca 0.00 0.05 -0.73 0.00 1.87 0.00 0.00 56.30 57.49 1b3c h ASN 61 Cb 0.00 0.02 -0.17 0.00 0.27 0.00 0.00 38.32 38.45 1b3c h ASN 61 CO 0.00 -0.00 1.42 -0.54 -0.37 0.00 0.00 177.43 177.94 1b3c s LYS 62 N -5.17 4.05 0.85 6.67 1.02 -1.26 -5.00 119.74 120.90 1b3c s LYS 62 Ca -0.07 -2.46 -0.13 0.00 0.02 0.00 0.00 55.97 53.33 1b3c s LYS 62 Cb 0.25 -5.11 0.19 0.00 -0.52 0.00 0.00 37.83 32.64 1b3c s LYS 62 CO 0.81 -1.82 1.16 2.41 -0.92 0.00 0.00 175.35 176.98 1b3c n THR 63 N 4.88 0.00 1.72 2.17 -1.04 -1.14 -4.73 114.28 116.14 1b3c n THR 63 Ca 0.37 -0.94 0.15 0.00 -2.04 0.00 0.00 64.05 61.59 1b3c n THR 63 Cb 0.44 -1.49 0.71 0.00 -1.82 0.00 0.00 70.33 68.17 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43