#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgc n LEU 24 N 0.00 2.59 -4.27 0.64 4.77 -1.26 -0.97 117.00 118.50 3dgc n LEU 24 Ca 0.00 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 3dgc n LEU 24 Cb 0.00 -0.96 -0.16 0.00 -2.33 0.00 0.00 43.42 39.97 3dgc n LEU 24 CO 0.00 0.79 -0.54 -0.22 -1.33 0.00 0.00 177.39 176.09 3dgc s LEU 25 N -6.98 2.21 0.04 2.23 2.96 -1.26 -1.12 118.68 116.76 3dgc s LEU 25 Ca -0.31 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.02 3dgc s LEU 25 Cb 0.09 -1.43 0.00 0.00 0.50 0.00 0.00 46.19 45.35 3dgc s LEU 25 CO 0.63 0.20 0.17 -1.10 -1.32 0.00 0.00 176.35 174.93 3dgc s GLN 26 N 0.13 0.68 -1.22 1.98 -0.21 -0.82 -4.66 119.66 115.54 3dgc s GLN 26 Ca -0.11 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.52 3dgc s GLN 26 Cb -0.16 0.28 -0.01 0.00 1.00 0.00 0.00 33.01 34.12 3dgc s GLN 26 CO 0.06 -0.19 0.74 0.72 -2.12 0.00 0.00 175.29 174.50 3dgc n HIS 27 N 0.65 -1.98 -2.72 0.91 8.25 -1.26 0.29 115.22 119.37 3dgc n HIS 27 Ca -0.19 0.72 -0.43 0.00 -0.26 0.00 0.00 57.72 57.57 3dgc n HIS 27 Cb 0.59 -4.04 -0.03 0.00 1.12 0.00 0.00 29.99 27.63 3dgc n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dgc s VAL 28 N -3.59 4.49 0.17 1.59 1.01 -1.26 -3.84 120.40 118.98 3dgc s VAL 28 Ca 0.21 1.36 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 3dgc s VAL 28 Cb -0.06 -4.41 0.05 0.00 0.00 0.00 0.00 36.38 31.96 3dgc s VAL 28 CO 0.82 -0.61 0.55 -1.59 0.00 0.00 0.00 175.10 174.28 3dgc s LYS 29 N 3.70 1.30 0.16 2.72 -2.85 -0.31 -4.24 119.74 120.23 3dgc s LYS 29 Ca 0.42 -0.65 -0.20 0.00 -1.00 0.00 0.00 55.97 54.55 3dgc s LYS 29 Cb -0.11 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 36.14 3dgc s LYS 29 CO 0.20 -0.56 0.66 -0.06 0.10 0.00 0.00 175.35 175.69 3dgc s PHE 30 N -3.80 3.73 -0.23 1.78 0.40 -1.26 -0.88 117.98 117.72 3dgc s PHE 30 Ca 0.04 1.34 -0.00 0.00 -0.60 0.00 0.00 56.93 57.71 3dgc s PHE 30 Cb -0.01 -2.57 0.03 0.00 0.51 0.00 0.00 43.02 40.98 3dgc s PHE 30 CO -0.09 0.45 -0.11 -1.14 0.70 0.00 0.00 175.22 175.04 3dgc s GLN 31 N -1.60 2.84 -0.12 0.44 2.00 0.20 -4.94 119.66 118.48 3dgc s GLN 31 Ca 0.37 -0.96 0.02 0.00 -2.00 0.00 0.00 55.36 52.79 3dgc s GLN 31 Cb -0.18 -2.85 0.01 0.00 0.80 0.00 0.00 33.01 30.79 3dgc s GLN 31 CO 0.21 -0.35 -0.18 0.45 -0.50 0.00 0.00 175.29 174.91 3dgc s SER 32 N 1.29 2.71 -0.09 6.67 0.15 -1.26 0.06 113.70 123.24 3dgc s SER 32 Ca 0.01 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.13 3dgc s SER 32 Cb -0.16 -1.23 0.05 0.00 -1.71 0.00 0.00 66.02 62.96 3dgc s SER 32 CO -0.07 0.05 0.11 -0.55 1.20 0.00 0.00 173.24 173.99 3dgc s SER 33 N 0.85 1.23 -1.48 5.45 0.15 -0.82 -0.89 113.70 118.20 3dgc s SER 33 Ca -0.08 0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.52 3dgc s SER 33 Cb -0.15 0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.24 3dgc s SER 33 CO -0.01 -0.27 0.68 0.59 1.20 0.00 0.00 173.24 175.43 3dgc n ASN 34 N 5.31 -2.12 -0.54 5.45 4.13 0.76 -1.10 115.26 127.15 3dgc n ASN 34 Ca -0.04 -0.92 -0.07 0.00 1.68 0.00 0.00 54.58 55.22 3dgc n ASN 34 Cb 0.50 -3.35 -0.03 0.00 -1.54 0.00 0.00 39.78 35.35 3dgc n ASN 34 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3dgc n PHE 35 N -4.44 0.00 -2.97 3.10 3.01 -1.26 -4.56 117.46 110.34 3dgc n PHE 35 Ca -0.15 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.89 3dgc n PHE 35 Cb 0.61 -2.34 -0.05 0.00 -0.01 0.00 0.00 39.48 37.69 3dgc n PHE 35 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3dgc s GLU 36 N -2.48 3.55 -0.41 -1.08 2.12 -0.26 -4.85 118.70 115.29 3dgc s GLU 36 Ca 0.00 0.05 -0.11 0.00 0.36 0.00 0.00 54.97 55.27 3dgc s GLU 36 Cb 0.00 -3.88 0.06 0.00 0.26 0.00 0.00 34.13 30.56 3dgc s GLU 36 CO 0.00 -1.00 0.26 -0.80 -0.54 0.00 0.00 175.26 173.18 3dgc s ASN 37 N 2.01 5.77 -0.18 -1.70 0.01 -1.26 -1.94 114.94 117.65 3dgc s ASN 37 Ca 0.30 -1.25 -0.05 0.00 -0.71 0.00 0.00 52.86 51.15 3dgc s ASN 37 Cb -0.13 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 3dgc s ASN 37 CO 0.20 -0.49 0.00 -0.63 -1.51 0.00 0.00 177.10 174.67 3dgc s ILE 38 N 1.52 4.13 -0.01 0.60 -1.09 0.11 -1.15 121.20 125.32 3dgc s ILE 38 Ca 0.03 -0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 57.96 3dgc s ILE 38 Cb -0.22 -2.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 3dgc s ILE 38 CO 0.05 0.46 0.68 -0.22 -1.23 0.00 0.00 174.94 174.67 3dgc s LEU 39 N 0.64 4.40 0.15 2.97 2.96 0.36 0.58 118.68 130.74 3dgc s LEU 39 Ca -0.00 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 3dgc s LEU 39 Cb -0.14 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 3dgc s LEU 39 CO 0.02 0.01 -0.03 0.42 -1.32 0.00 0.00 176.35 175.45 3dgc s THR 40 N 0.13 0.75 0.20 3.68 -4.23 -0.06 -0.35 115.64 115.76 3dgc s THR 40 Ca 0.35 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.65 3dgc s THR 40 Cb -0.19 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 71.74 3dgc s THR 40 CO 0.19 -0.62 0.85 -1.66 -0.54 0.00 0.00 174.62 172.84 3dgc s TRP 41 N -3.60 -0.17 0.45 3.99 -2.14 -1.20 -1.16 118.94 115.11 3dgc s TRP 41 Ca 0.19 -0.19 0.03 0.00 2.66 0.00 0.00 56.10 58.79 3dgc s TRP 41 Cb 0.05 0.66 -0.03 0.00 -3.10 0.00 0.00 33.47 31.06 3dgc s TRP 41 CO 0.01 -0.99 0.04 -0.51 -2.66 0.00 0.00 176.95 172.84 3dgc s ASP 42 N -2.92 3.64 -0.10 -2.66 1.01 0.15 -4.86 116.67 110.92 3dgc s ASP 42 Ca 0.11 -1.58 -0.03 0.00 0.71 0.00 0.00 52.55 51.76 3dgc s ASP 42 Cb -0.03 0.29 -0.04 0.00 1.01 0.00 0.00 42.92 44.16 3dgc s ASP 42 CO 0.03 -0.77 0.04 -0.44 0.21 0.00 0.00 175.17 174.24 3dgc s SER 43 N -3.75 5.51 0.47 0.27 0.01 -1.26 -1.94 113.70 113.00 3dgc s SER 43 Ca 0.18 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.64 3dgc s SER 43 Cb 0.04 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.61 3dgc s SER 43 CO 0.09 0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.72 3dgc n GLY 44 N 2.26 -0.45 0.08 3.44 0.00 -0.27 -4.76 105.19 105.49 3dgc n GLY 44 Ca -0.19 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 3dgc n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dgc h PRO 45 N 0.00 -0.06 -1.39 1.61 0.11 -1.40 -1.77 132.00 129.10 3dgc h PRO 45 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3dgc h PRO 45 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3dgc h PRO 45 CO 0.00 -0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.14 3dgc n GLU 46 N -3.16 0.53 -2.05 1.05 4.71 -0.82 -4.84 120.64 116.05 3dgc n GLU 46 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 3dgc n GLU 46 Cb 0.06 -1.24 0.05 0.00 -1.01 0.00 0.00 31.44 29.30 3dgc n GLU 46 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3dgc s GLY 47 N 0.86 1.62 0.13 0.62 0.00 -0.67 -4.76 107.32 105.13 3dgc s GLY 47 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 3dgc s GLY 47 CO 0.00 -0.18 0.26 -1.08 0.00 0.00 0.00 173.10 172.09 3dgc s THR 48 N -3.30 0.10 0.12 0.90 -1.32 -1.26 -5.02 115.64 105.86 3dgc s THR 48 Ca 0.58 -1.20 0.19 0.00 -1.21 0.00 0.00 61.69 60.05 3dgc s THR 48 Cb -0.11 -1.54 0.15 0.00 -1.51 0.00 0.00 72.50 69.49 3dgc s THR 48 CO 0.49 -0.46 1.72 -0.65 -2.21 0.00 0.00 174.62 173.51 3dgc h PRO 49 N 2.61 0.00 -0.57 7.08 0.11 -2.02 -3.24 132.00 135.97 3dgc h PRO 49 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3dgc h PRO 49 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dgc h PRO 49 CO 0.52 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3dgc n ASP 50 N -3.47 2.72 -4.72 -2.05 5.68 -1.26 -4.92 116.55 108.53 3dgc n ASP 50 Ca 0.00 -2.23 -0.42 0.00 -0.50 0.00 0.00 54.79 51.65 3dgc n ASP 50 Cb 0.52 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 40.05 3dgc n ASP 50 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3dgc s THR 51 N -1.69 4.06 0.09 2.12 2.01 -1.23 -4.55 115.64 116.46 3dgc s THR 51 Ca 0.27 1.55 0.03 0.00 0.31 0.00 0.00 61.69 63.85 3dgc s THR 51 Cb 0.17 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3dgc s THR 51 CO 0.13 0.16 0.10 0.68 -0.69 0.00 0.00 174.62 175.00 3dgc s VAL 52 N 0.72 4.60 0.02 3.82 -7.23 -0.95 -4.66 120.40 116.73 3dgc s VAL 52 Ca 0.56 -0.78 0.06 0.00 -1.81 0.00 0.00 61.98 60.01 3dgc s VAL 52 Cb -0.29 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 3dgc s VAL 52 CO 0.31 0.09 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.69 3dgc s TYR 53 N -1.45 1.62 -0.07 2.82 1.51 0.46 -1.12 117.35 121.12 3dgc s TYR 53 Ca 0.30 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 3dgc s TYR 53 Cb -0.12 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3dgc s TYR 53 CO 0.23 0.04 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.46 3dgc s SER 54 N -0.93 1.95 -0.08 2.29 0.01 -0.77 -0.85 113.70 115.31 3dgc s SER 54 Ca 0.06 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3dgc s SER 54 Cb -0.08 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 3dgc s SER 54 CO 0.01 0.04 -0.07 -0.63 0.41 0.00 0.00 173.24 173.00 3dgc s ILE 55 N 0.70 3.68 0.16 1.44 1.09 -0.21 -1.15 121.20 126.91 3dgc s ILE 55 Ca -0.14 -0.48 0.05 0.00 -1.10 0.00 0.00 60.65 58.99 3dgc s ILE 55 Cb -0.16 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 3dgc s ILE 55 CO 0.03 0.58 -0.11 -1.61 -0.10 0.00 0.00 174.94 173.73 3dgc s GLU 56 N -0.62 1.12 0.08 2.79 2.02 -0.86 -1.45 118.70 121.77 3dgc s GLU 56 Ca 0.09 -1.47 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 3dgc s GLU 56 Cb -0.12 -0.75 0.01 0.00 0.10 0.00 0.00 34.13 33.37 3dgc s GLU 56 CO 0.02 0.11 0.23 1.52 0.02 0.00 0.00 175.26 177.15 3dgc s TYR 57 N -3.17 0.07 0.19 1.61 -0.85 -0.27 -1.58 117.35 113.34 3dgc s TYR 57 Ca 0.17 -0.41 -0.15 0.00 -0.52 0.00 0.00 57.07 56.17 3dgc s TYR 57 Cb 0.01 -0.00 0.01 0.00 0.38 0.00 0.00 41.96 42.36 3dgc s TYR 57 CO 0.02 -0.53 0.45 -1.59 -1.52 0.00 0.00 175.55 172.38 3dgc s LYS 58 N -3.44 1.34 -0.19 -3.49 -2.85 -0.38 -0.82 119.74 109.91 3dgc s LYS 58 Ca 0.02 -1.00 -0.09 0.00 -1.00 0.00 0.00 55.97 53.89 3dgc s LYS 58 Cb 0.03 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 3dgc s LYS 58 CO -0.09 -0.55 0.13 0.99 0.10 0.00 0.00 175.35 175.93 3dgc s THR 59 N -3.92 5.39 0.20 3.79 2.01 -1.26 -1.69 115.64 120.16 3dgc s THR 59 Ca 0.13 0.18 -0.32 0.00 0.31 0.00 0.00 61.69 61.99 3dgc s THR 59 Cb 0.00 -3.44 -0.11 0.00 0.01 0.00 0.00 72.50 68.96 3dgc s THR 59 CO -0.01 0.47 1.66 -0.47 -0.69 0.00 0.00 174.62 175.58 3dgc s TYR 60 N 0.17 2.95 0.00 4.92 5.04 0.34 -1.41 117.35 129.36 3dgc s TYR 60 Ca 0.09 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 3dgc s TYR 60 Cb -0.11 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.14 3dgc s TYR 60 CO -0.01 -3.95 0.00 0.41 -1.34 0.00 0.00 175.55 170.66 3dgc n GLY 61 N 3.76 0.41 3.50 8.97 0.00 -1.26 -4.73 105.19 115.85 3dgc n GLY 61 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3dgc n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dgc s GLU 62 N -0.99 1.77 -0.14 1.61 2.02 -0.50 -5.09 118.70 117.37 3dgc s GLU 62 Ca 0.00 -1.76 -0.04 0.00 0.02 0.00 0.00 54.97 53.19 3dgc s GLU 62 Cb 0.00 -1.80 -0.24 0.00 0.10 0.00 0.00 34.13 32.18 3dgc s GLU 62 CO 0.00 0.30 0.26 0.54 0.02 0.00 0.00 175.26 176.38 3dgc n ARG 63 N -0.68 0.73 -3.33 1.61 1.74 -1.26 -4.82 116.66 110.65 3dgc n ARG 63 Ca -0.05 0.24 -0.35 0.00 -0.77 0.00 0.00 57.85 56.92 3dgc n ARG 63 Cb 0.60 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 3dgc n ARG 63 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dgc s ASP 64 N -6.87 6.82 0.06 0.55 1.01 -1.26 -5.07 116.67 111.92 3dgc s ASP 64 Ca -0.24 1.10 -0.13 0.00 0.71 0.00 0.00 52.55 53.99 3dgc s ASP 64 Cb 0.07 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.64 3dgc s ASP 64 CO 0.74 0.07 0.44 0.26 0.21 0.00 0.00 175.17 176.89 3dgc s TRP 65 N -1.52 3.65 -0.06 4.23 0.52 -1.26 -4.62 118.94 119.87 3dgc s TRP 65 Ca 0.40 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.49 3dgc s TRP 65 Cb -0.15 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 29.89 3dgc s TRP 65 CO 0.19 0.55 -0.18 0.08 0.02 0.00 0.00 176.95 177.62 3dgc s VAL 66 N -1.28 2.74 0.26 4.03 1.01 0.00 -4.93 120.40 122.23 3dgc s VAL 66 Ca 0.30 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 3dgc s VAL 66 Cb -0.15 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 3dgc s VAL 66 CO 0.17 0.57 0.96 0.00 0.00 0.00 0.00 175.10 176.80 3dgc s ALA 67 N -0.38 3.33 -0.60 5.51 0.00 -1.26 -1.12 121.76 127.24 3dgc s ALA 67 Ca 0.03 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 3dgc s ALA 67 Cb -0.12 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.84 3dgc s ALA 67 CO 0.02 0.16 0.89 0.21 0.00 0.00 0.00 175.76 177.04 3dgc s LYS 68 N -1.35 3.16 0.23 0.00 2.47 -0.53 -4.93 119.74 118.80 3dgc s LYS 68 Ca 0.43 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 54.07 3dgc s LYS 68 Cb -0.26 -4.17 0.47 0.00 -1.46 0.00 0.00 37.83 32.41 3dgc s LYS 68 CO 0.32 -1.62 1.25 1.17 0.16 0.00 0.00 175.35 176.62 3dgc n LYS 69 N 7.30 -0.07 0.00 4.03 3.00 -1.26 -0.70 118.16 130.46 3dgc n LYS 69 Ca -0.03 1.22 0.14 0.00 -0.00 0.00 0.00 58.31 59.64 3dgc n LYS 69 Cb 0.46 -1.87 0.55 0.00 0.00 0.00 0.00 35.03 34.16 3dgc n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3dgc n GLY 70 N -1.46 -0.33 2.66 3.14 0.00 -1.26 -4.38 105.19 103.56 3dgc n GLY 70 Ca 0.15 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3dgc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dgc s GLN 72 N -3.50 3.19 -1.46 0.00 -1.52 -1.26 -1.04 119.66 114.08 3dgc s GLN 72 Ca 0.48 -0.78 -0.09 0.00 -1.95 0.00 0.00 55.36 53.01 3dgc s GLN 72 Cb 0.35 -2.51 0.04 0.00 -0.22 0.00 0.00 33.01 30.67 3dgc s GLN 72 CO -0.17 0.10 0.87 0.54 -0.25 0.00 0.00 175.29 176.39 3dgc n ARG 73 N 3.79 -5.78 -3.19 2.91 5.12 -0.03 -4.94 116.66 114.54 3dgc n ARG 73 Ca -0.19 0.74 -0.26 0.00 -1.93 0.00 0.00 57.85 56.21 3dgc n ARG 73 Cb 0.52 -5.65 -0.01 0.00 -1.16 0.00 0.00 32.46 26.16 3dgc n ARG 73 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3dgc s ILE 74 N -3.22 5.03 -0.17 0.55 -4.36 -0.31 -4.66 121.20 114.07 3dgc s ILE 74 Ca 0.50 -0.15 0.22 0.00 -0.26 0.00 0.00 60.65 60.96 3dgc s ILE 74 Cb -0.24 -3.83 -0.32 0.00 1.25 0.00 0.00 42.46 39.32 3dgc s ILE 74 CO 0.62 -0.56 0.54 0.35 0.24 0.00 0.00 174.94 176.13 3dgc n THR 75 N -1.65 0.00 -1.00 8.37 -2.24 -1.26 -0.40 114.28 116.09 3dgc n THR 75 Ca -0.03 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 3dgc n THR 75 Cb 0.55 0.14 0.21 0.00 -2.10 0.00 0.00 70.33 69.13 3dgc n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dgc s ARG 76 N -3.45 -0.38 -0.35 -0.78 1.70 -1.26 -4.93 118.95 109.51 3dgc s ARG 76 Ca -0.06 0.41 0.06 0.00 -0.47 0.00 0.00 55.73 55.68 3dgc s ARG 76 Cb 0.14 -1.65 0.44 0.00 -0.57 0.00 0.00 34.95 33.31 3dgc s ARG 76 CO 0.90 -3.25 1.18 1.63 -1.08 0.00 0.00 175.30 174.68 3dgc n LYS 77 N -4.52 3.53 -3.56 3.89 5.02 -1.26 -4.83 118.16 116.43 3dgc n LYS 77 Ca 0.06 -4.28 -0.13 0.00 -2.02 0.00 0.00 58.31 51.94 3dgc n LYS 77 Cb 0.57 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.26 3dgc n LYS 77 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dgc s SER 78 N -3.54 -0.49 -0.13 4.39 1.04 -1.26 -3.23 113.70 110.49 3dgc s SER 78 Ca 0.50 0.54 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 3dgc s SER 78 Cb 0.41 0.41 0.06 0.00 0.10 0.00 0.00 66.02 67.00 3dgc s SER 78 CO -0.05 -0.44 0.30 0.00 0.98 0.00 0.00 173.24 174.02 3dgc s ASP 80 N 1.69 6.19 -0.19 0.00 -1.08 -1.26 -0.48 116.67 121.53 3dgc s ASP 80 Ca -0.06 0.75 0.16 0.00 -0.52 0.00 0.00 52.55 52.88 3dgc s ASP 80 Cb -0.11 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.37 3dgc s ASP 80 CO -0.10 -1.56 1.45 0.18 0.52 0.00 0.00 175.17 175.66 3dgc n LEU 81 N 9.32 4.05 -0.10 -1.34 4.77 -0.30 -4.76 117.00 128.64 3dgc n LEU 81 Ca 0.17 -3.06 -0.06 0.00 -0.03 0.00 0.00 56.01 53.03 3dgc n LEU 81 Cb 0.48 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3dgc n LEU 81 CO 0.70 0.70 0.77 0.74 -1.33 0.00 0.00 177.39 178.98 3dgc h THR 82 N 1.89 0.58 -0.34 -5.08 2.02 -1.82 -1.43 112.91 108.74 3dgc h THR 82 Ca 0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 3dgc h THR 82 Cb 1.51 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3dgc h THR 82 CO 0.26 0.00 0.03 0.58 0.37 0.00 0.00 175.52 176.76 3dgc h VAL 83 N -0.04 1.25 0.00 3.16 2.07 -1.91 -2.94 116.25 117.84 3dgc h VAL 83 Ca 0.18 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3dgc h VAL 83 Cb 0.31 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3dgc h VAL 83 CO -0.39 0.29 -0.09 -0.33 0.02 0.00 0.00 177.57 177.07 3dgc h GLU 84 N 0.40 0.00 -0.42 1.57 3.07 -1.82 -2.86 114.58 114.52 3dgc h GLU 84 Ca 0.10 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.70 3dgc h GLU 84 Cb 0.40 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.14 3dgc h GLU 84 CO 0.01 0.09 -0.22 0.25 -1.40 0.00 0.00 179.01 177.74 3dgc n THR 85 N -3.86 2.58 0.52 1.13 -2.24 -0.57 -4.75 114.28 107.09 3dgc n THR 85 Ca -0.02 -3.14 0.08 0.00 -2.27 0.00 0.00 64.05 58.69 3dgc n THR 85 Cb 0.18 -0.53 0.21 0.00 -2.10 0.00 0.00 70.33 68.10 3dgc n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dgc n GLY 86 N -1.03 1.18 3.47 3.38 0.00 -1.08 -4.80 105.19 106.30 3dgc n GLY 86 Ca 0.35 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3dgc n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dgc s ASP 87 N -1.01 6.25 0.00 1.61 -1.08 -1.26 -4.73 116.67 116.45 3dgc s ASP 87 Ca 0.31 -0.76 0.05 0.00 -0.52 0.00 0.00 52.55 51.63 3dgc s ASP 87 Cb 0.16 -2.32 0.27 0.00 -1.46 0.00 0.00 42.92 39.58 3dgc s ASP 87 CO 0.21 -0.94 0.85 0.18 0.52 0.00 0.00 175.17 176.00 3dgc n LEU 88 N 6.39 0.00 -0.00 -1.34 4.77 -1.26 -1.34 117.00 124.22 3dgc n LEU 88 Ca -0.05 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.14 3dgc n LEU 88 Cb 0.46 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 3dgc n LEU 88 CO 0.56 -0.09 -0.27 0.00 -1.33 0.00 0.00 177.39 176.25 3dgc n GLN 89 N -1.11 0.49 -3.44 3.23 6.02 -1.26 -4.96 117.38 116.35 3dgc n GLN 89 Ca 0.03 -0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.77 3dgc n GLN 89 Cb 0.03 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 3dgc n GLN 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dgc s GLU 90 N -3.06 2.94 0.08 -1.09 0.41 -0.45 -5.13 118.70 112.41 3dgc s GLU 90 Ca 0.03 -1.15 0.07 0.00 -0.41 0.00 0.00 54.97 53.51 3dgc s GLU 90 Cb 0.14 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.75 3dgc s GLU 90 CO 0.83 -0.02 -0.19 -0.51 -0.49 0.00 0.00 175.26 174.87 3dgc s LEU 91 N -4.18 2.25 0.34 1.80 1.43 -1.26 -4.81 118.68 114.26 3dgc s LEU 91 Ca 0.47 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3dgc s LEU 91 Cb -0.08 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 3dgc s LEU 91 CO 0.30 0.06 0.16 -0.31 0.23 0.00 0.00 176.35 176.80 3dgc s TYR 92 N -1.06 1.68 0.02 0.29 2.02 -0.55 -0.51 117.35 119.24 3dgc s TYR 92 Ca 0.05 -1.37 0.00 0.00 -0.37 0.00 0.00 57.07 55.39 3dgc s TYR 92 Cb -0.10 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3dgc s TYR 92 CO 0.03 -0.49 -0.03 0.71 -1.57 0.00 0.00 175.55 174.20 3dgc s TYR 93 N -3.47 0.30 0.03 2.71 1.51 -0.68 -0.13 117.35 117.62 3dgc s TYR 93 Ca 0.33 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 3dgc s TYR 93 Cb 0.04 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.67 3dgc s TYR 93 CO 0.18 -0.13 -0.07 0.00 -1.11 0.00 0.00 175.55 174.42 3dgc s ALA 94 N -1.11 0.54 -0.00 3.71 0.00 -1.26 -1.25 121.76 122.39 3dgc s ALA 94 Ca -0.11 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3dgc s ALA 94 Cb -0.08 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 3dgc s ALA 94 CO -0.01 0.01 0.01 -0.98 0.00 0.00 0.00 175.76 174.79 3dgc s ARG 95 N -1.29 0.05 -0.07 0.00 1.70 -0.61 -0.59 118.95 118.13 3dgc s ARG 95 Ca -0.08 -0.03 -0.00 0.00 -0.47 0.00 0.00 55.73 55.15 3dgc s ARG 95 Cb -0.08 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.28 3dgc s ARG 95 CO 0.00 -0.01 -0.04 0.08 -1.08 0.00 0.00 175.30 174.26 3dgc s VAL 96 N -0.12 3.96 -0.24 4.99 1.01 0.10 -2.02 120.40 128.08 3dgc s VAL 96 Ca -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3dgc s VAL 96 Cb -0.01 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.78 3dgc s VAL 96 CO -0.00 0.59 -0.11 -0.89 0.00 0.00 0.00 175.10 174.69 3dgc s THR 97 N -0.85 1.98 -0.05 3.92 2.01 -0.30 -1.77 115.64 120.58 3dgc s THR 97 Ca 0.13 -1.39 -0.15 0.00 0.31 0.00 0.00 61.69 60.59 3dgc s THR 97 Cb -0.11 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 3dgc s THR 97 CO 0.02 0.06 0.40 0.00 -0.69 0.00 0.00 174.62 174.41 3dgc s ALA 98 N 1.21 3.65 -0.27 7.40 0.00 0.11 -1.86 121.76 132.01 3dgc s ALA 98 Ca -0.06 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3dgc s ALA 98 Cb -0.18 -2.42 0.07 0.00 0.00 0.00 0.00 23.12 20.58 3dgc s ALA 98 CO -0.07 0.35 -0.03 0.08 0.00 0.00 0.00 175.76 176.09 3dgc s VAL 99 N -0.57 1.76 0.75 0.00 1.01 -0.27 -0.93 120.40 122.16 3dgc s VAL 99 Ca 0.23 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 3dgc s VAL 99 Cb -0.16 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.20 3dgc s VAL 99 CO 0.11 -0.23 1.10 -0.55 0.00 0.00 0.00 175.10 175.53 3dgc s SER 100 N 1.26 4.96 0.36 3.32 0.15 0.29 -2.25 113.70 121.79 3dgc s SER 100 Ca -0.02 1.24 0.22 0.00 0.70 0.00 0.00 55.95 58.08 3dgc s SER 100 Cb -0.19 -2.01 1.29 0.00 -1.71 0.00 0.00 66.02 63.40 3dgc s SER 100 CO -0.08 -1.66 1.48 0.00 1.20 0.00 0.00 173.24 174.18 3dgc n ALA 101 N -3.23 1.02 1.53 5.45 0.00 -1.26 -0.26 120.51 123.75 3dgc n ALA 101 Ca 0.07 0.93 0.07 0.00 0.00 0.00 0.00 53.44 54.51 3dgc n ALA 101 Cb 0.57 -0.96 0.29 0.00 0.00 0.00 0.00 19.45 19.35 3dgc n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dgc n GLY 102 N -1.28 -0.26 1.53 0.00 0.00 -1.26 -4.84 105.19 99.07 3dgc n GLY 102 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dgc n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dgc n GLY 103 N 0.89 0.75 3.75 -0.02 0.00 0.63 -5.03 105.19 106.16 3dgc n GLY 103 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3dgc n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dgc s ARG 104 N -0.38 4.77 0.27 1.61 6.06 -1.24 -4.83 118.95 125.22 3dgc s ARG 104 Ca 0.00 1.59 0.03 0.00 -2.50 0.00 0.00 55.73 54.85 3dgc s ARG 104 Cb 0.00 -3.23 -0.06 0.00 0.06 0.00 0.00 34.95 31.72 3dgc s ARG 104 CO 0.00 0.41 0.06 -1.54 -2.50 0.00 0.00 175.30 171.72 3dgc s SER 105 N -1.09 1.76 -0.28 -2.12 1.04 -1.26 0.11 113.70 111.86 3dgc s SER 105 Ca 0.42 -1.34 -0.22 0.00 0.48 0.00 0.00 55.95 55.30 3dgc s SER 105 Cb -0.28 0.04 0.11 0.00 0.10 0.00 0.00 66.02 65.99 3dgc s SER 105 CO 0.35 -0.63 0.91 0.00 0.98 0.00 0.00 173.24 174.85 3dgc s ALA 106 N -3.51 -1.98 -0.03 5.32 0.00 -0.10 -4.96 121.76 116.49 3dgc s ALA 106 Ca 0.35 2.05 0.07 0.00 0.00 0.00 0.00 51.96 54.42 3dgc s ALA 106 Cb 0.08 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 3dgc s ALA 106 CO 0.13 -0.30 -0.24 0.99 0.00 0.00 0.00 175.76 176.34 3dgc s THR 107 N 0.66 1.95 -0.07 0.00 2.01 -1.26 0.07 115.64 119.01 3dgc s THR 107 Ca -0.02 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 60.87 3dgc s THR 107 Cb -0.05 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.85 3dgc s THR 107 CO -0.08 0.55 0.19 -0.54 -0.69 0.00 0.00 174.62 174.05 3dgc s LYS 108 N -0.42 0.25 0.23 4.92 1.02 -0.73 -5.00 119.74 120.00 3dgc s LYS 108 Ca 0.05 0.23 0.10 0.00 0.02 0.00 0.00 55.97 56.37 3dgc s LYS 108 Cb -0.11 0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 3dgc s LYS 108 CO 0.01 -0.03 -0.19 0.00 -0.92 0.00 0.00 175.35 174.21 3dgc s MET 109 N -0.00 1.49 1.13 1.68 0.23 -1.26 -0.72 119.30 121.85 3dgc s MET 109 Ca -0.01 -1.62 -0.18 0.00 -1.03 0.00 0.00 55.69 52.85 3dgc s MET 109 Cb -0.02 -1.54 0.26 0.00 -1.53 0.00 0.00 34.83 32.00 3dgc s MET 109 CO 0.00 0.29 1.15 0.95 -2.03 0.00 0.00 175.02 175.39 3dgc s THR 110 N -2.41 1.72 0.82 3.16 -4.23 0.24 -4.87 115.64 110.07 3dgc s THR 110 Ca 0.24 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 3dgc s THR 110 Cb -0.05 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.33 3dgc s THR 110 CO 0.11 0.00 1.15 -1.81 -0.54 0.00 0.00 174.62 173.52 3dgc s ASP 111 N -4.05 3.99 0.23 3.99 1.01 -1.26 -4.74 116.67 115.84 3dgc s ASP 111 Ca 0.71 0.21 -0.32 0.00 0.71 0.00 0.00 52.55 53.86 3dgc s ASP 111 Cb -0.10 -0.54 -0.12 0.00 1.01 0.00 0.00 42.92 43.18 3dgc s ASP 111 CO 0.55 -2.14 1.68 -1.14 0.21 0.00 0.00 175.17 174.34 3dgc n ARG 112 N -3.27 2.72 -4.17 8.23 0.63 -1.26 -4.75 116.66 114.78 3dgc n ARG 112 Ca 0.13 0.98 -0.34 0.00 -0.92 0.00 0.00 57.85 57.69 3dgc n ARG 112 Cb 0.60 -2.80 -0.10 0.00 0.45 0.00 0.00 32.46 30.60 3dgc n ARG 112 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3dgc s PHE 113 N 0.87 3.18 -0.26 -0.14 5.36 0.82 -4.94 117.98 122.87 3dgc s PHE 113 Ca 0.73 -0.02 -0.00 0.00 -0.96 0.00 0.00 56.93 56.67 3dgc s PHE 113 Cb -0.51 -2.00 0.08 0.00 -0.34 0.00 0.00 43.02 40.24 3dgc s PHE 113 CO 0.36 0.14 0.02 0.45 -1.46 0.00 0.00 175.22 174.74 3dgc s SER 114 N 0.19 3.77 0.21 6.13 0.15 -1.26 -1.49 113.70 121.40 3dgc s SER 114 Ca 0.02 -1.32 -0.09 0.00 0.70 0.00 0.00 55.95 55.26 3dgc s SER 114 Cb -0.13 -0.99 0.16 0.00 -1.71 0.00 0.00 66.02 63.36 3dgc s SER 114 CO 0.01 -0.32 1.84 0.77 1.20 0.00 0.00 173.24 176.74 3dgc h SER 115 N 8.03 0.97 -0.78 5.45 4.64 -1.91 -0.70 113.55 129.25 3dgc h SER 115 Ca -0.15 -0.09 0.15 0.00 -0.47 0.00 0.00 61.79 61.23 3dgc h SER 115 Cb 1.06 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 3dgc h SER 115 CO 0.42 0.78 0.52 -0.07 -0.87 0.00 0.00 176.83 177.61 3dgc h LEU 116 N 1.08 0.42 0.15 5.97 3.38 -1.94 -1.72 115.31 122.65 3dgc h LEU 116 Ca 0.28 0.03 -0.36 0.00 0.09 0.00 0.00 57.88 57.91 3dgc h LEU 116 Cb 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dgc h LEU 116 CO -0.05 0.21 -1.91 -0.61 0.09 0.00 0.00 178.44 176.18 3dgc h GLN 117 N 0.45 0.32 0.00 1.13 4.15 -1.80 -3.41 115.11 115.95 3dgc h GLN 117 Ca 0.38 -0.54 -0.17 0.00 0.77 0.00 0.00 58.65 59.10 3dgc h GLN 117 Cb 0.85 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 3dgc h GLN 117 CO -0.13 1.26 -1.20 0.45 -1.93 0.00 0.00 178.83 177.28 3dgc h HIS 118 N 0.09 0.00 -3.68 3.99 3.86 -1.02 -3.48 115.15 114.91 3dgc h HIS 118 Ca -0.40 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.25 3dgc h HIS 118 Cb 2.06 0.00 0.13 0.00 1.06 0.00 0.00 27.41 30.66 3dgc h HIS 118 CO 0.09 0.62 0.53 -2.37 0.86 0.00 0.00 177.93 177.67 3dgc n THR 119 N -3.01 2.75 -3.88 2.45 5.66 -0.66 -4.74 114.28 112.85 3dgc n THR 119 Ca -0.07 -0.50 -0.30 0.00 -3.05 0.00 0.00 64.05 60.14 3dgc n THR 119 Cb 0.84 -1.62 -0.04 0.00 -1.55 0.00 0.00 70.33 67.96 3dgc n THR 119 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dgc s THR 120 N -1.21 5.34 -0.17 1.09 -4.23 -0.07 -4.89 115.64 111.49 3dgc s THR 120 Ca 0.62 -0.41 -0.05 0.00 -1.18 0.00 0.00 61.69 60.67 3dgc s THR 120 Cb -0.48 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 69.66 3dgc s THR 120 CO 0.57 0.05 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.93 3dgc s LEU 121 N -2.76 3.38 0.92 4.79 1.43 -1.26 -0.17 118.68 125.01 3dgc s LEU 121 Ca 0.36 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 3dgc s LEU 121 Cb -0.12 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.40 3dgc s LEU 121 CO 0.28 0.14 1.11 -0.54 0.23 0.00 0.00 176.35 177.56 3dgc s LYS 122 N 0.55 1.07 0.45 1.70 1.02 -1.26 -2.20 119.74 121.07 3dgc s LYS 122 Ca -0.01 0.53 -0.25 0.00 0.02 0.00 0.00 55.97 56.26 3dgc s LYS 122 Cb -0.14 -1.81 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 3dgc s LYS 122 CO 0.02 -2.30 1.36 -2.14 -0.92 0.00 0.00 175.35 171.37 3dgc s PRO 123 N -5.08 3.71 0.59 -1.68 0.02 -1.25 -4.31 135.00 127.01 3dgc s PRO 123 Ca 0.64 2.26 -0.18 0.00 0.02 0.00 0.00 61.00 63.73 3dgc s PRO 123 Cb -0.17 -2.62 -0.06 0.00 0.02 0.00 0.00 34.50 31.67 3dgc s PRO 123 CO 0.56 -0.74 0.77 -2.30 -0.33 0.00 0.00 177.00 174.96 3dgc n PRO 124 N -0.22 0.71 -2.83 5.54 -0.02 -1.26 -4.89 135.00 132.03 3dgc n PRO 124 Ca 0.05 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 3dgc n PRO 124 Cb 0.43 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3dgc n PRO 124 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dgc s ASP 125 N -1.24 6.32 0.09 2.55 2.15 -1.26 -4.89 116.67 120.39 3dgc s ASP 125 Ca 0.73 -1.27 0.10 0.00 0.43 0.00 0.00 52.55 52.55 3dgc s ASP 125 Cb -0.43 -2.44 -0.03 0.00 -0.30 0.00 0.00 42.92 39.72 3dgc s ASP 125 CO 0.50 -1.38 -0.27 -0.69 -0.17 0.00 0.00 175.17 173.16 3dgc s VAL 126 N 3.91 2.21 -0.15 1.11 1.01 -1.26 0.17 120.40 127.40 3dgc s VAL 126 Ca 0.28 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.68 3dgc s VAL 126 Cb -0.12 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.37 3dgc s VAL 126 CO 0.04 0.22 -0.11 -0.89 0.00 0.00 0.00 175.10 174.36 3dgc s THR 127 N -0.94 1.41 -0.26 3.92 2.01 0.11 -4.95 115.64 116.95 3dgc s THR 127 Ca 0.13 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 3dgc s THR 127 Cb -0.10 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 3dgc s THR 127 CO 0.04 0.36 0.24 0.00 -0.69 0.00 0.00 174.62 174.57 3dgc s ILE 129 N 1.61 3.17 0.02 0.00 1.01 0.26 -4.97 121.20 122.29 3dgc s ILE 129 Ca 0.10 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 3dgc s ILE 129 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3dgc s ILE 129 CO 0.09 0.47 0.30 -0.94 0.00 0.00 0.00 174.94 174.86 3dgc s SER 130 N 1.04 6.54 0.12 3.58 1.04 -1.26 0.73 113.70 125.49 3dgc s SER 130 Ca -0.00 0.64 0.01 0.00 0.48 0.00 0.00 55.95 57.07 3dgc s SER 130 Cb -0.15 -2.12 -0.00 0.00 0.10 0.00 0.00 66.02 63.85 3dgc s SER 130 CO -0.01 0.25 0.02 0.29 0.98 0.00 0.00 173.24 174.76 3dgc n LYS 131 N 1.16 1.26 -0.07 4.02 5.02 -0.13 -4.72 118.16 124.70 3dgc n LYS 131 Ca -0.11 -0.90 -0.10 0.00 -2.02 0.00 0.00 58.31 55.18 3dgc n LYS 131 Cb 0.53 0.36 -0.04 0.00 -0.02 0.00 0.00 35.03 35.86 3dgc n LYS 131 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dgc h VAL 132 N 1.12 1.17 0.00 -0.18 2.07 -1.92 -0.15 116.25 118.35 3dgc h VAL 132 Ca -0.09 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3dgc h VAL 132 Cb 0.31 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3dgc h VAL 132 CO 0.15 0.17 -0.20 0.54 0.02 0.00 0.00 177.57 178.25 3dgc n ARG 133 N -4.80 0.81 -3.65 1.57 1.74 -1.26 -3.02 116.66 108.05 3dgc n ARG 133 Ca -0.03 -1.60 -0.10 0.00 -0.77 0.00 0.00 57.85 55.35 3dgc n ARG 133 Cb 0.13 -0.93 -0.05 0.00 -1.02 0.00 0.00 32.46 30.59 3dgc n ARG 133 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dgc s SER 134 N -1.60 -0.21 -0.11 0.55 1.04 -1.26 -0.16 113.70 111.95 3dgc s SER 134 Ca 0.12 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.24 3dgc s SER 134 Cb 0.11 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3dgc s SER 134 CO 0.01 -0.84 -0.21 -0.63 0.98 0.00 0.00 173.24 172.55 3dgc s ILE 135 N -3.78 1.88 -0.11 -1.02 -1.09 -0.85 -0.95 121.20 115.27 3dgc s ILE 135 Ca 0.03 -0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 57.52 3dgc s ILE 135 Cb 0.02 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 3dgc s ILE 135 CO -0.12 0.52 0.03 -1.58 -1.23 0.00 0.00 174.94 172.56 3dgc s GLN 136 N 0.67 3.23 -0.11 2.79 0.74 0.22 -1.18 119.66 126.02 3dgc s GLN 136 Ca -0.12 -0.35 -0.00 0.00 0.05 0.00 0.00 55.36 54.94 3dgc s GLN 136 Cb -0.16 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.04 3dgc s GLN 136 CO 0.02 0.64 -0.09 -1.64 -0.55 0.00 0.00 175.29 173.68 3dgc s MET 137 N -0.69 1.61 -0.21 1.67 -1.94 0.63 0.89 119.30 121.26 3dgc s MET 137 Ca 0.11 -0.29 -0.05 0.00 -1.71 0.00 0.00 55.69 53.75 3dgc s MET 137 Cb -0.12 -1.62 -0.02 0.00 2.01 0.00 0.00 34.83 35.08 3dgc s MET 137 CO 0.02 -0.24 0.00 0.42 -0.01 0.00 0.00 175.02 175.21 3dgc s ILE 138 N 1.60 3.88 -0.14 2.53 -1.09 0.56 -1.45 121.20 127.09 3dgc s ILE 138 Ca 0.03 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 58.01 3dgc s ILE 138 Cb -0.13 -2.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 3dgc s ILE 138 CO -0.07 0.41 0.24 -0.69 -1.23 0.00 0.00 174.94 173.60 3dgc s VAL 139 N 1.18 5.34 0.07 2.92 1.01 -0.20 0.09 120.40 130.81 3dgc s VAL 139 Ca 0.03 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.50 3dgc s VAL 139 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3dgc s VAL 139 CO 0.01 0.48 -0.07 -1.00 0.00 0.00 0.00 175.10 174.52 3dgc s HIS 140 N -0.13 2.83 0.21 5.22 3.76 0.44 -4.75 115.29 122.86 3dgc s HIS 140 Ca 0.15 -0.10 -0.32 0.00 -0.15 0.00 0.00 55.06 54.65 3dgc s HIS 140 Cb -0.13 -1.51 -0.14 0.00 1.11 0.00 0.00 32.58 31.91 3dgc s HIS 140 CO 0.04 0.41 1.32 -2.30 -0.85 0.00 0.00 174.74 173.36 3dgc n PRO 141 N 0.98 1.68 -3.52 8.40 -0.02 -1.26 -4.25 135.00 137.00 3dgc n PRO 141 Ca -0.14 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3dgc n PRO 141 Cb 0.52 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 3dgc n PRO 141 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dgc s THR 142 N -0.05 5.08 0.46 3.45 2.01 -1.26 -4.96 115.64 120.37 3dgc s THR 142 Ca 0.71 -0.55 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 3dgc s THR 142 Cb -0.74 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 67.95 3dgc s THR 142 CO 0.50 -0.18 1.13 -2.84 -0.69 0.00 0.00 174.62 172.54 3dgc s PRO 143 N 1.66 3.79 0.40 4.92 0.02 -1.26 -2.37 135.00 142.16 3dgc s PRO 143 Ca 0.05 1.69 0.04 0.00 0.02 0.00 0.00 61.00 62.80 3dgc s PRO 143 Cb -0.18 -2.37 -0.05 0.00 0.02 0.00 0.00 34.50 31.92 3dgc s PRO 143 CO 0.09 -0.51 0.06 0.95 -0.33 0.00 0.00 177.00 177.26 3dgc s THR 144 N -1.61 1.18 -1.26 0.99 -4.23 -0.35 -4.91 115.64 105.45 3dgc s THR 144 Ca 0.64 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.44 3dgc s THR 144 Cb -0.26 -2.58 0.40 0.00 1.34 0.00 0.00 72.50 71.40 3dgc s THR 144 CO 0.32 0.00 1.98 -2.65 -0.54 0.00 0.00 174.62 173.73 3dgc n PRO 145 N -0.93 0.26 -2.08 3.99 -0.02 -1.26 -4.29 135.00 130.66 3dgc n PRO 145 Ca -0.07 -0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 3dgc n PRO 145 Cb 0.66 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 3dgc n PRO 145 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dgc s ILE 146 N -2.75 3.68 0.16 4.25 -1.09 -1.26 -4.92 121.20 119.27 3dgc s ILE 146 Ca 0.22 0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 59.34 3dgc s ILE 146 Cb 0.20 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.39 3dgc s ILE 146 CO 0.50 -0.19 0.49 -0.13 -1.23 0.00 0.00 174.94 174.38 3dgc s ARG 147 N 4.39 3.81 0.73 2.79 1.81 -1.26 -0.71 118.95 130.51 3dgc s ARG 147 Ca 0.72 0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.98 3dgc s ARG 147 Cb -0.28 -2.83 0.14 0.00 -0.45 0.00 0.00 34.95 31.53 3dgc s ARG 147 CO 0.28 0.44 1.00 0.00 -0.68 0.00 0.00 175.30 176.34 3dgc s ALA 148 N -1.61 3.80 0.15 2.13 0.00 -0.22 -4.89 121.76 121.13 3dgc s ALA 148 Ca 0.41 -1.86 -0.18 0.00 0.00 0.00 0.00 51.96 50.33 3dgc s ALA 148 Cb -0.13 -1.92 0.06 0.00 0.00 0.00 0.00 23.12 21.13 3dgc s ALA 148 CO 0.20 -1.50 1.67 0.78 0.00 0.00 0.00 175.76 176.91 3dgc h GLY 149 N -0.54 0.21 1.30 0.00 0.00 -1.99 0.23 103.07 102.28 3dgc h GLY 149 Ca -0.35 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3dgc h GLY 149 CO 0.38 -0.14 0.00 2.09 0.00 0.00 0.00 176.54 178.87 3dgc n ASP 150 N -5.29 0.00 0.00 0.19 5.75 -1.26 -4.84 116.55 111.10 3dgc n ASP 150 Ca 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 3dgc n ASP 150 Cb 0.20 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3dgc n ASP 150 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dgc n GLY 151 N -0.45 1.13 3.90 6.12 0.00 0.80 -5.06 105.19 111.62 3dgc n GLY 151 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3dgc n GLY 151 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dgc s HIS 152 N -2.99 3.14 0.04 1.61 -3.43 -1.26 -4.56 115.29 107.84 3dgc s HIS 152 Ca 0.00 0.84 -0.29 0.00 -0.80 0.00 0.00 55.06 54.81 3dgc s HIS 152 Cb 0.00 -3.20 -0.04 0.00 -1.43 0.00 0.00 32.58 27.90 3dgc s HIS 152 CO 0.00 -1.38 0.94 1.03 -2.00 0.00 0.00 174.74 173.32 3dgc s ARG 153 N -5.39 4.59 0.23 -0.38 0.52 -1.26 -1.06 118.95 116.21 3dgc s ARG 153 Ca 0.59 1.37 -0.13 0.00 -0.52 0.00 0.00 55.73 57.04 3dgc s ARG 153 Cb -0.11 -3.42 -0.08 0.00 0.52 0.00 0.00 34.95 31.86 3dgc s ARG 153 CO 0.49 0.07 0.61 -0.51 0.02 0.00 0.00 175.30 175.98 3dgc s LEU 154 N 0.59 4.19 0.41 2.53 1.02 0.12 -4.84 118.68 122.70 3dgc s LEU 154 Ca 0.48 1.08 0.07 0.00 0.02 0.00 0.00 54.13 55.79 3dgc s LEU 154 Cb -0.21 -3.68 0.01 0.00 0.02 0.00 0.00 46.19 42.32 3dgc s LEU 154 CO 0.28 -0.06 0.57 0.42 0.02 0.00 0.00 176.35 177.58 3dgc s THR 155 N -1.76 3.20 0.29 5.49 -4.23 -1.26 -1.21 115.64 116.16 3dgc s THR 155 Ca 0.47 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3dgc s THR 155 Cb -0.12 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 70.90 3dgc s THR 155 CO 0.20 -0.04 1.93 -0.07 -0.54 0.00 0.00 174.62 176.10 3dgc h LEU 156 N 0.64 0.97 -1.18 4.79 3.38 -1.82 -0.72 115.31 121.37 3dgc h LEU 156 Ca -0.41 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 3dgc h LEU 156 Cb 1.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3dgc h LEU 156 CO 0.47 0.66 0.11 -0.08 0.09 0.00 0.00 178.44 179.69 3dgc h GLU 157 N 1.12 0.69 -0.59 1.13 4.81 -1.86 0.18 114.58 120.06 3dgc h GLU 157 Ca 0.37 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3dgc h GLU 157 Cb 0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3dgc h GLU 157 CO -0.12 0.62 0.06 -0.44 -0.73 0.00 0.00 179.01 178.41 3dgc h ASP 158 N 0.67 0.93 0.05 1.04 3.45 -1.53 -3.30 116.42 117.74 3dgc h ASP 158 Ca 0.15 -0.23 -0.08 0.00 0.43 0.00 0.00 57.03 57.31 3dgc h ASP 158 Cb 0.25 -0.25 0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3dgc h ASP 158 CO -0.00 0.96 -0.35 0.40 -1.57 0.00 0.00 179.24 178.68 3dgc h ILE 159 N 0.91 1.65 -3.32 0.35 2.04 -0.73 -3.42 117.51 114.99 3dgc h ILE 159 Ca 0.18 -2.36 -0.74 0.00 1.00 0.00 0.00 64.86 62.94 3dgc h ILE 159 Cb 0.45 3.23 -0.28 0.00 -0.74 0.00 0.00 36.82 39.47 3dgc h ILE 159 CO 0.02 0.64 -0.29 -0.36 0.00 0.00 0.00 178.15 178.16 3dgc s PHE 160 N -2.44 3.42 0.49 1.37 0.40 0.56 -4.94 117.98 116.84 3dgc s PHE 160 Ca -0.16 -1.80 0.17 0.00 -0.60 0.00 0.00 56.93 54.54 3dgc s PHE 160 Cb -0.01 -3.60 1.23 0.00 0.51 0.00 0.00 43.02 41.15 3dgc s PHE 160 CO 0.75 -0.99 2.09 0.45 0.70 0.00 0.00 175.22 178.22 3dgc h HIS 161 N 8.39 0.00 -0.39 0.36 3.86 -1.82 -2.40 115.15 123.14 3dgc h HIS 161 Ca -0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 3dgc h HIS 161 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3dgc h HIS 161 CO 0.71 0.08 0.00 -0.40 0.86 0.00 0.00 177.93 179.19 3dgc n ASP 162 N -4.32 2.74 -4.71 2.45 5.75 -1.26 -4.96 116.55 112.23 3dgc n ASP 162 Ca -0.03 -1.92 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 3dgc n ASP 162 Cb 0.16 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 39.99 3dgc n ASP 162 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3dgc n LEU 163 N 1.01 3.80 -3.74 -2.12 0.00 -0.90 -4.62 117.00 110.42 3dgc n LEU 163 Ca 0.18 1.20 -0.11 0.00 0.00 0.00 0.00 56.01 57.29 3dgc n LEU 163 Cb 0.47 -1.51 -0.07 0.00 0.00 0.00 0.00 43.42 42.31 3dgc n LEU 163 CO 0.14 -0.33 0.05 0.72 0.00 0.00 0.00 177.39 177.96 3dgc s PHE 164 N -0.98 -0.09 0.08 1.96 -0.12 0.48 -4.72 117.98 114.58 3dgc s PHE 164 Ca 0.56 -0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.32 3dgc s PHE 164 Cb -0.55 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 3dgc s PHE 164 CO 0.61 -0.56 0.16 0.71 -0.05 0.00 0.00 175.22 176.09 3dgc s TYR 165 N -3.08 3.38 -0.24 3.49 1.51 0.14 -0.62 117.35 121.93 3dgc s TYR 165 Ca -0.01 0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 3dgc s TYR 165 Cb 0.01 -1.69 0.06 0.00 -0.11 0.00 0.00 41.96 40.22 3dgc s TYR 165 CO -0.07 0.56 -0.08 -1.58 -1.11 0.00 0.00 175.55 173.27 3dgc s HIS 166 N -1.48 2.73 0.12 2.71 2.46 -0.71 -2.05 115.29 119.07 3dgc s HIS 166 Ca 0.33 -1.95 0.06 0.00 0.47 0.00 0.00 55.06 53.97 3dgc s HIS 166 Cb -0.12 -1.72 -0.04 0.00 -0.13 0.00 0.00 32.58 30.56 3dgc s HIS 166 CO 0.26 -0.81 -0.01 -0.51 -2.47 0.00 0.00 174.74 171.19 3dgc s LEU 167 N 1.28 3.35 -0.09 8.88 1.02 0.29 -1.82 118.68 131.60 3dgc s LEU 167 Ca -0.06 -0.29 -0.07 0.00 0.02 0.00 0.00 54.13 53.73 3dgc s LEU 167 Cb -0.19 -2.06 0.03 0.00 0.02 0.00 0.00 46.19 43.98 3dgc s LEU 167 CO -0.06 0.14 0.23 -1.61 0.02 0.00 0.00 176.35 175.08 3dgc s GLU 168 N -2.54 0.25 -0.23 1.70 2.02 0.55 -1.50 118.70 118.96 3dgc s GLU 168 Ca 0.26 0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.64 3dgc s GLU 168 Cb -0.11 0.07 0.05 0.00 0.10 0.00 0.00 34.13 34.24 3dgc s GLU 168 CO 0.18 -0.06 -0.14 -1.17 0.02 0.00 0.00 175.26 174.09 3dgc s LEU 169 N 0.38 2.95 -0.01 1.80 2.96 0.50 -0.45 118.68 126.80 3dgc s LEU 169 Ca -0.02 -1.13 -0.17 0.00 -0.22 0.00 0.00 54.13 52.59 3dgc s LEU 169 Cb -0.04 -1.51 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 3dgc s LEU 169 CO -0.02 -0.12 0.47 -1.10 -1.32 0.00 0.00 176.35 174.26 3dgc s GLN 170 N 1.18 4.11 -0.12 1.98 -0.21 0.56 -0.73 119.66 126.43 3dgc s GLN 170 Ca -0.04 0.51 0.03 0.00 0.02 0.00 0.00 55.36 55.88 3dgc s GLN 170 Cb -0.17 -3.29 -0.10 0.00 1.00 0.00 0.00 33.01 30.45 3dgc s GLN 170 CO -0.08 0.53 -0.07 1.33 -2.12 0.00 0.00 175.29 174.88 3dgc n VAL 171 N 2.31 0.72 -3.61 1.09 0.24 -1.14 -1.53 118.33 116.41 3dgc n VAL 171 Ca -0.11 -0.32 -0.06 0.00 -2.04 0.00 0.00 64.34 61.81 3dgc n VAL 171 Cb 0.52 -0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 31.98 3dgc n VAL 171 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3dgc s ASN 172 N -4.95 -0.27 0.60 -1.34 2.20 -1.24 -4.93 114.94 105.02 3dgc s ASN 172 Ca -0.14 -0.16 0.31 0.00 -0.94 0.00 0.00 52.86 51.93 3dgc s ASN 172 Cb 0.04 0.41 1.14 0.00 -2.00 0.00 0.00 41.25 40.84 3dgc s ASN 172 CO 0.33 -0.70 1.45 -0.09 -2.94 0.00 0.00 177.10 175.15 3dgc h ARG 173 N 2.00 0.00 -2.13 3.55 9.65 -2.04 -2.83 114.38 122.58 3dgc h ARG 173 Ca -0.23 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.08 3dgc h ARG 173 Cb 1.23 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.40 3dgc h ARG 173 CO 0.28 0.00 -0.81 0.25 2.80 0.00 0.00 179.97 182.49 3dgc n THR 174 N -3.44 1.35 0.00 0.20 -2.24 -1.26 -4.97 114.28 103.92 3dgc n THR 174 Ca 0.24 -4.88 0.00 0.00 -2.27 0.00 0.00 64.05 57.14 3dgc n THR 174 Cb 1.45 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 3dgc n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dgc n TYR 175 N 0.76 0.00 -4.13 4.78 9.36 -1.07 -5.09 117.16 121.77 3dgc n TYR 175 Ca 0.27 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.33 3dgc n TYR 175 Cb 0.47 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 39.03 3dgc n TYR 175 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3dgc s GLN 176 N -0.01 0.46 0.08 2.98 -0.21 -1.26 -2.88 119.66 118.81 3dgc s GLN 176 Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.22 3dgc s GLN 176 Cb 0.00 -0.47 -0.04 0.00 1.00 0.00 0.00 33.01 33.50 3dgc s GLN 176 CO 0.00 0.06 0.25 -1.64 -2.12 0.00 0.00 175.29 171.84 3dgc s MET 177 N 0.14 3.48 -0.08 2.91 -1.94 0.09 -4.93 119.30 118.97 3dgc s MET 177 Ca -0.01 -0.36 -0.06 0.00 -1.71 0.00 0.00 55.69 53.55 3dgc s MET 177 Cb -0.05 -3.00 0.03 0.00 2.01 0.00 0.00 34.83 33.82 3dgc s MET 177 CO -0.00 0.58 0.20 -3.38 -0.01 0.00 0.00 175.02 172.41 3dgc s HIS 178 N -1.54 -0.23 0.22 -0.03 -3.43 -1.26 -0.37 115.29 108.64 3dgc s HIS 178 Ca 0.36 0.57 0.05 0.00 -0.80 0.00 0.00 55.06 55.25 3dgc s HIS 178 Cb -0.13 0.06 -0.05 0.00 -1.43 0.00 0.00 32.58 31.03 3dgc s HIS 178 CO 0.27 -0.13 -0.07 -0.51 -2.00 0.00 0.00 174.74 172.30 3dgc s LEU 179 N 0.36 2.41 -0.02 5.38 1.43 -0.56 -5.00 118.68 122.68 3dgc s LEU 179 Ca -0.02 -1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 51.66 3dgc s LEU 179 Cb -0.03 -0.46 0.08 0.00 0.03 0.00 0.00 46.19 45.81 3dgc s LEU 179 CO -0.02 -0.36 0.75 -0.83 0.23 0.00 0.00 176.35 176.12 3dgc s GLY 180 N -3.31 -0.51 0.00 -3.19 0.00 -1.26 -0.54 107.32 98.50 3dgc s GLY 180 Ca 0.25 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.22 3dgc s GLY 180 CO 0.07 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.52 3dgc n GLY 181 N 0.48 -2.28 0.34 0.20 0.00 -0.87 -4.97 105.19 98.09 3dgc n GLY 181 Ca -0.16 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.62 3dgc n GLY 181 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dgc n LYS 182 N -0.78 0.82 -1.89 1.61 5.02 -1.26 -0.69 118.16 120.99 3dgc n LYS 182 Ca 0.00 -0.68 -0.29 0.00 -2.02 0.00 0.00 58.31 55.32 3dgc n LYS 182 Cb 0.00 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 33.64 3dgc n LYS 182 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3dgc s GLN 183 N -2.65 1.60 -0.12 1.97 1.03 -1.26 -4.95 119.66 115.27 3dgc s GLN 183 Ca 0.15 -0.01 0.05 0.00 0.04 0.00 0.00 55.36 55.59 3dgc s GLN 183 Cb 0.17 -1.92 -0.24 0.00 0.03 0.00 0.00 33.01 31.06 3dgc s GLN 183 CO 0.67 -1.83 0.34 0.54 -2.54 0.00 0.00 175.29 172.47 3dgc n ARG 184 N -3.45 0.69 -3.74 9.60 5.12 -1.26 -4.90 116.66 118.71 3dgc n ARG 184 Ca 0.10 0.22 -0.36 0.00 -1.93 0.00 0.00 57.85 55.87 3dgc n ARG 184 Cb 0.61 -1.68 -0.07 0.00 -1.16 0.00 0.00 32.46 30.15 3dgc n ARG 184 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3dgc s GLU 185 N -2.56 3.95 0.02 5.56 1.03 -1.26 -1.03 118.70 124.41 3dgc s GLU 185 Ca -0.16 -0.12 0.02 0.00 0.03 0.00 0.00 54.97 54.74 3dgc s GLU 185 Cb 0.07 -3.34 -0.01 0.00 -0.80 0.00 0.00 34.13 30.05 3dgc s GLU 185 CO 0.77 0.46 -0.07 0.71 -1.33 0.00 0.00 175.26 175.81 3dgc s TYR 186 N -0.13 0.59 -0.06 4.83 2.02 -0.53 -5.01 117.35 119.06 3dgc s TYR 186 Ca 0.12 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 3dgc s TYR 186 Cb -0.12 -0.36 0.03 0.00 -0.40 0.00 0.00 41.96 41.11 3dgc s TYR 186 CO 0.01 -0.04 0.07 -2.00 -1.57 0.00 0.00 175.55 172.03 3dgc s GLU 187 N -0.83 -0.05 -0.16 -0.62 2.12 -1.26 -0.27 118.70 117.63 3dgc s GLU 187 Ca -0.04 0.36 -0.24 0.00 0.36 0.00 0.00 54.97 55.41 3dgc s GLU 187 Cb -0.06 -0.61 -0.02 0.00 0.26 0.00 0.00 34.13 33.70 3dgc s GLU 187 CO 0.00 -0.36 0.77 -0.06 -0.54 0.00 0.00 175.26 175.07 3dgc s PHE 188 N 2.18 3.44 0.41 5.30 0.40 -0.32 -4.93 117.98 124.46 3dgc s PHE 188 Ca 0.05 1.19 0.08 0.00 -0.60 0.00 0.00 56.93 57.64 3dgc s PHE 188 Cb -0.12 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 3dgc s PHE 188 CO -0.04 -0.17 0.41 -0.06 0.70 0.00 0.00 175.22 176.06 3dgc s PHE 189 N 1.85 2.75 -0.14 0.36 0.40 -1.26 -2.01 117.98 119.92 3dgc s PHE 189 Ca 0.36 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 3dgc s PHE 189 Cb -0.17 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.18 3dgc s PHE 189 CO 0.13 -0.16 0.12 0.41 0.70 0.00 0.00 175.22 176.42 3dgc n GLY 190 N -1.59 0.80 3.70 4.36 0.00 -1.19 -4.99 105.19 106.27 3dgc n GLY 190 Ca 0.04 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3dgc n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dgc s LEU 191 N -1.65 3.55 0.02 0.99 1.02 0.78 -5.04 118.68 118.35 3dgc s LEU 191 Ca 0.06 -0.04 -0.25 0.00 0.02 0.00 0.00 54.13 53.92 3dgc s LEU 191 Cb -0.03 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 44.01 3dgc s LEU 191 CO 0.07 0.24 0.77 0.42 0.02 0.00 0.00 176.35 177.87 3dgc s THR 192 N -1.18 4.80 1.05 5.49 -4.23 -1.26 -4.31 115.64 116.00 3dgc s THR 192 Ca 0.22 1.62 -0.15 0.00 -1.18 0.00 0.00 61.69 62.21 3dgc s THR 192 Cb -0.12 -4.11 0.11 0.00 1.34 0.00 0.00 72.50 69.72 3dgc s THR 192 CO 0.14 0.33 0.36 -2.65 -0.54 0.00 0.00 174.62 172.26 3dgc n PRO 193 N 3.07 -1.16 -3.97 3.99 -0.02 -1.17 -3.54 135.00 132.21 3dgc n PRO 193 Ca -0.02 -0.31 -0.29 0.00 -2.02 0.00 0.00 63.50 60.87 3dgc n PRO 193 Cb 0.50 -1.87 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 3dgc n PRO 193 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dgc n ASP 194 N -2.15 -0.04 -4.37 2.55 -0.08 0.10 -4.89 116.55 107.67 3dgc n ASP 194 Ca 0.04 -1.03 -0.21 0.00 -1.51 0.00 0.00 54.79 52.08 3dgc n ASP 194 Cb 0.57 -1.29 -0.10 0.00 2.34 0.00 0.00 41.12 42.64 3dgc n ASP 194 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3dgc s THR 195 N -3.65 1.96 -0.12 5.18 2.01 -1.22 -4.86 115.64 114.93 3dgc s THR 195 Ca 0.24 -2.17 -0.05 0.00 0.31 0.00 0.00 61.69 60.03 3dgc s THR 195 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3dgc s THR 195 CO 0.82 -0.45 0.07 -0.70 -0.69 0.00 0.00 174.62 173.67 3dgc s GLU 196 N -3.33 3.36 0.05 4.92 2.12 -1.26 0.18 118.70 124.73 3dgc s GLU 196 Ca 0.22 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.29 3dgc s GLU 196 Cb -0.03 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3dgc s GLU 196 CO 0.09 0.66 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.35 3dgc s PHE 197 N -0.72 0.56 -0.30 5.30 0.40 0.25 -4.85 117.98 118.63 3dgc s PHE 197 Ca 0.12 -0.65 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 3dgc s PHE 197 Cb -0.12 -0.36 0.02 0.00 0.51 0.00 0.00 43.02 43.07 3dgc s PHE 197 CO 0.03 -0.16 0.07 -1.17 0.70 0.00 0.00 175.22 174.68 3dgc s LEU 198 N -1.95 3.87 -0.10 -0.37 2.96 -0.58 -0.64 118.68 121.88 3dgc s LEU 198 Ca -0.06 -0.80 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 3dgc s LEU 198 Cb -0.05 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 3dgc s LEU 198 CO -0.02 -0.21 0.28 -0.83 -1.32 0.00 0.00 176.35 174.25 3dgc s GLY 199 N 1.47 2.28 -0.05 7.98 0.00 0.68 -0.32 107.32 119.35 3dgc s GLY 199 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3dgc s GLY 199 CO 0.02 0.09 -0.03 -1.59 0.00 0.00 0.00 173.10 171.59 3dgc s THR 200 N -0.47 0.45 -0.04 0.90 2.01 0.40 -0.17 115.64 118.72 3dgc s THR 200 Ca 0.18 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.16 3dgc s THR 200 Cb -0.14 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.87 3dgc s THR 200 CO 0.07 0.22 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.50 3dgc s ILE 201 N 1.12 0.84 0.05 1.82 1.09 0.10 -0.33 121.20 125.89 3dgc s ILE 201 Ca -0.08 -0.35 0.03 0.00 -1.10 0.00 0.00 60.65 59.15 3dgc s ILE 201 Cb -0.14 -0.77 -0.03 0.00 -1.06 0.00 0.00 42.46 40.47 3dgc s ILE 201 CO -0.01 0.27 -0.09 0.00 -0.10 0.00 0.00 174.94 175.01 3dgc s MET 202 N 0.46 0.62 -0.01 2.79 0.23 -0.75 -0.25 119.30 122.38 3dgc s MET 202 Ca -0.08 -0.84 -0.20 0.00 -1.03 0.00 0.00 55.69 53.54 3dgc s MET 202 Cb -0.12 -0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 32.72 3dgc s MET 202 CO 0.01 0.08 0.57 0.42 -2.03 0.00 0.00 175.02 174.07 3dgc s ILE 203 N -1.50 4.93 -0.07 3.16 1.01 -1.26 -1.74 121.20 125.73 3dgc s ILE 203 Ca -0.07 1.19 0.02 0.00 0.00 0.00 0.00 60.65 61.79 3dgc s ILE 203 Cb -0.09 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3dgc s ILE 203 CO 0.01 0.43 -0.12 0.00 0.00 0.00 0.00 174.94 175.26 3dgc s VAL 205 N 0.74 0.89 0.22 0.00 0.11 -0.90 -0.39 120.40 121.07 3dgc s VAL 205 Ca -0.13 -1.74 -0.07 0.00 -2.93 0.00 0.00 61.98 57.11 3dgc s VAL 205 Cb -0.16 -1.65 0.17 0.00 -1.53 0.00 0.00 36.38 33.21 3dgc s VAL 205 CO 0.03 -0.78 1.78 -0.65 -3.33 0.00 0.00 175.10 172.15 3dgc h PRO 206 N 7.57 0.61 -0.81 1.54 0.11 -1.82 -0.62 132.00 138.59 3dgc h PRO 206 Ca -0.08 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.17 3dgc h PRO 206 Cb 0.98 -0.14 -0.11 0.00 0.11 0.00 0.00 31.00 31.84 3dgc h PRO 206 CO 0.45 0.40 0.28 1.15 -0.21 0.00 0.00 178.00 180.07 3dgc h THR 207 N 0.62 0.53 -0.44 -1.15 2.02 -1.95 -0.41 112.91 112.12 3dgc h THR 207 Ca 0.34 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.40 3dgc h THR 207 Cb 0.34 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3dgc h THR 207 CO -0.25 0.07 0.00 0.79 0.37 0.00 0.00 175.52 176.49 3dgc n TRP 208 N -5.08 0.90 -4.18 3.16 7.02 -1.13 -4.96 117.44 113.16 3dgc n TRP 208 Ca 0.17 -0.62 -0.35 0.00 -1.02 0.00 0.00 57.50 55.69 3dgc n TRP 208 Cb 0.52 -0.15 -0.02 0.00 -2.42 0.00 0.00 31.31 29.24 3dgc n TRP 208 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3dgc n ALA 209 N 0.55 -1.32 -2.78 6.99 0.00 -0.16 -4.94 120.51 118.85 3dgc n ALA 209 Ca 0.19 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 3dgc n ALA 209 Cb 0.68 -3.42 -0.03 0.00 0.00 0.00 0.00 19.45 16.68 3dgc n ALA 209 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dgc s LYS 210 N -6.88 3.51 -0.18 0.00 1.02 -0.34 -4.99 119.74 111.89 3dgc s LYS 210 Ca 0.67 -0.36 -0.07 0.00 0.02 0.00 0.00 55.97 56.24 3dgc s LYS 210 Cb -0.36 -2.84 0.08 0.00 -0.52 0.00 0.00 37.83 34.19 3dgc s LYS 210 CO 0.92 0.40 0.38 -2.00 -0.92 0.00 0.00 175.35 174.12 3dgc s GLU 211 N -3.37 0.29 0.75 1.68 2.12 -1.26 -2.13 118.70 116.78 3dgc s GLU 211 Ca 0.38 0.94 -0.11 0.00 0.36 0.00 0.00 54.97 56.54 3dgc s GLU 211 Cb -0.11 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.53 3dgc s GLU 211 CO 0.29 -0.25 1.08 -1.54 -0.54 0.00 0.00 175.26 174.30 3dgc s SER 212 N 2.41 4.83 0.51 -1.70 1.04 0.18 -4.68 113.70 116.28 3dgc s SER 212 Ca -0.02 1.54 -0.23 0.00 0.48 0.00 0.00 55.95 57.73 3dgc s SER 212 Cb -0.12 -2.33 -0.06 0.00 0.10 0.00 0.00 66.02 63.61 3dgc s SER 212 CO -0.12 -1.79 1.31 0.00 0.98 0.00 0.00 173.24 173.63 3dgc s ALA 213 N -3.05 2.92 0.55 5.32 0.00 -0.93 -4.51 121.76 122.06 3dgc s ALA 213 Ca 0.60 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.63 3dgc s ALA 213 Cb -0.15 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3dgc s ALA 213 CO 0.55 -1.15 1.05 -2.14 0.00 0.00 0.00 175.76 174.07 3dgc s PRO 214 N -2.77 3.50 -0.12 0.00 0.02 -1.26 -3.82 135.00 130.55 3dgc s PRO 214 Ca 0.68 1.27 -0.01 0.00 0.02 0.00 0.00 61.00 62.95 3dgc s PRO 214 Cb -0.38 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.06 3dgc s PRO 214 CO 0.45 -0.67 -0.07 -0.47 -0.33 0.00 0.00 177.00 175.92 3dgc s TYR 215 N -2.27 2.95 -0.06 6.54 5.04 0.66 -4.78 117.35 125.43 3dgc s TYR 215 Ca 0.65 -0.23 0.03 0.00 -2.44 0.00 0.00 57.07 55.09 3dgc s TYR 215 Cb -0.16 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.31 3dgc s TYR 215 CO 0.31 0.08 -0.16 -1.64 -1.34 0.00 0.00 175.55 172.80 3dgc s MET 216 N -0.11 1.85 -0.14 4.97 -1.94 -1.26 -0.72 119.30 121.95 3dgc s MET 216 Ca 0.01 -0.56 -0.01 0.00 -1.71 0.00 0.00 55.69 53.42 3dgc s MET 216 Cb -0.13 -1.55 0.04 0.00 2.01 0.00 0.00 34.83 35.20 3dgc s MET 216 CO 0.03 0.16 -0.02 0.00 -0.01 0.00 0.00 175.02 175.17 3dgc s ARG 218 N 1.78 3.92 0.27 0.00 3.52 -1.26 -0.23 118.95 126.95 3dgc s ARG 218 Ca 0.02 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 56.00 3dgc s ARG 218 Cb -0.14 -3.72 -0.06 0.00 -1.56 0.00 0.00 34.95 29.47 3dgc s ARG 218 CO -0.07 -0.56 -0.02 0.14 -0.81 0.00 0.00 175.30 173.98 3dgc s VAL 219 N 2.61 1.35 -0.04 7.11 -7.23 0.19 -4.98 120.40 119.41 3dgc s VAL 219 Ca 0.25 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 3dgc s VAL 219 Cb -0.15 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.32 3dgc s VAL 219 CO 0.12 -0.25 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.84 3dgc s LYS 220 N -3.81 0.96 0.54 4.82 2.20 -1.26 0.86 119.74 124.06 3dgc s LYS 220 Ca 0.30 -0.20 -0.20 0.00 -0.36 0.00 0.00 55.97 55.52 3dgc s LYS 220 Cb 0.05 -0.90 -0.05 0.00 -1.51 0.00 0.00 37.83 35.42 3dgc s LYS 220 CO 0.11 -0.01 1.17 0.95 -0.36 0.00 0.00 175.35 177.21 3dgc s THR 221 N 0.66 2.96 0.79 3.43 -4.23 0.13 -4.76 115.64 114.61 3dgc s THR 221 Ca -0.10 0.62 -0.13 0.00 -1.18 0.00 0.00 61.69 60.90 3dgc s THR 221 Cb -0.13 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.52 3dgc s THR 221 CO 0.01 -0.11 1.19 -0.76 -0.54 0.00 0.00 174.62 174.41 3dgc s LEU 222 N -3.75 3.16 0.00 4.79 1.43 -0.07 -1.54 118.68 122.70 3dgc s LEU 222 Ca 0.73 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 3dgc s LEU 222 Cb -0.27 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.37 3dgc s LEU 222 CO 0.31 -2.50 0.34 -2.65 0.23 0.00 0.00 176.35 172.08 3dgc n PRO 223 N -3.21 0.00 0.00 1.29 -0.02 -1.26 0.03 135.00 131.83 3dgc n PRO 223 Ca 0.13 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3dgc n PRO 223 Cb 0.51 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 3dgc n PRO 223 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01