#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sgb s SER 17 N 0.00 1.96 0.30 9.51 1.04 -1.26 -2.67 113.70 122.58 3sgb s SER 17 Ca 0.00 -1.78 -0.29 0.00 0.48 0.00 0.00 55.95 54.36 3sgb s SER 17 Cb 0.00 0.58 -0.12 0.00 0.10 0.00 0.00 66.02 66.57 3sgb s SER 17 CO 0.00 -1.06 1.40 0.61 0.98 0.00 0.00 173.24 175.17 3sgb n GLY 18 N -0.70 0.84 0.65 7.32 0.00 -0.09 -2.19 105.19 111.03 3sgb n GLY 18 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3sgb n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgb n GLY 19 N 1.45 3.20 3.73 -0.02 0.00 0.81 -2.29 105.19 112.07 3sgb n GLY 19 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3sgb n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3sgb s ASP 29 N -0.19 4.43 0.52 1.61 -0.00 -0.93 -2.65 116.67 119.47 3sgb s ASP 29 Ca 0.00 2.31 -0.21 0.00 -0.00 0.00 0.00 52.55 54.65 3sgb s ASP 29 Cb 0.00 -2.58 -0.06 0.00 -0.00 0.00 0.00 42.92 40.28 3sgb s ASP 29 CO 0.00 -2.10 1.20 0.00 -0.00 0.00 0.00 175.17 174.27 3sgb s ALA 30 N -1.99 2.80 -0.00 5.23 0.00 -1.26 -0.50 121.76 126.02 3sgb s ALA 30 Ca 0.74 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.72 3sgb s ALA 30 Cb -0.28 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 3sgb s ALA 30 CO 0.43 -0.92 -0.06 0.96 0.00 0.00 0.00 175.76 176.17 3sgb s ILE 31 N -1.55 0.45 -0.07 0.00 -4.36 -0.62 -4.77 121.20 110.27 3sgb s ILE 31 Ca 0.70 -0.25 0.05 0.00 -0.26 0.00 0.00 60.65 60.89 3sgb s ILE 31 Cb -0.30 -0.38 -0.01 0.00 1.25 0.00 0.00 42.46 43.02 3sgb s ILE 31 CO 0.35 0.12 -0.24 -0.31 0.24 0.00 0.00 174.94 175.10 3sgb s TYR 32 N -0.15 2.50 0.00 1.37 2.02 0.01 -0.55 117.35 122.55 3sgb s TYR 32 Ca 0.02 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 3sgb s TYR 32 Cb -0.02 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 3sgb s TYR 32 CO -0.00 -0.27 0.00 -1.13 -1.57 0.00 0.00 175.55 172.58 3sgb n SER 33 N 3.14 0.85 0.16 2.29 3.41 0.01 -1.05 113.62 122.43 3sgb n SER 33 Ca -0.18 -0.34 0.05 0.00 -0.26 0.00 0.00 58.87 58.14 3sgb n SER 33 Cb 0.52 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.59 3sgb n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3sgb h SER 34 N 0.00 0.00 0.12 4.04 0.02 -1.96 -3.34 113.55 112.43 3sgb h SER 34 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 3sgb h SER 34 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 3sgb h SER 34 CO 0.00 0.40 -2.23 0.35 -1.14 0.00 0.00 176.83 174.21 3sgb n THR 39 N -3.24 1.46 -2.73 -2.27 -2.24 -1.26 -5.10 114.28 98.89 3sgb n THR 39 Ca 0.02 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3sgb n THR 39 Cb 0.66 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3sgb n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3sgb n GLY 40 N 1.74 1.38 3.27 3.38 0.00 -1.25 -5.16 105.19 108.55 3sgb n GLY 40 Ca -0.30 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3sgb n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3sgb s ARG 41 N 0.92 2.57 0.00 1.61 3.52 -1.26 -0.81 118.95 125.49 3sgb s ARG 41 Ca 0.00 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 3sgb s ARG 41 Cb 0.00 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 3sgb s ARG 41 CO 0.00 0.38 0.00 0.00 -0.81 0.00 0.00 175.30 174.87 3sgb s SER 43 N -0.09 2.80 0.18 0.00 0.01 0.71 -1.59 113.70 115.71 3sgb s SER 43 Ca 0.00 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 3sgb s SER 43 Cb 0.00 -0.18 -0.08 0.00 0.21 0.00 0.00 66.02 65.97 3sgb s SER 43 CO 0.00 0.12 1.18 -0.22 0.41 0.00 0.00 173.24 174.73 3sgb s LEU 44 N -1.82 4.45 0.00 2.44 0.20 0.34 -3.71 118.68 120.58 3sgb s LEU 44 Ca 0.09 2.20 0.00 0.00 0.69 0.00 0.00 54.13 57.11 3sgb s LEU 44 Cb -0.10 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 3sgb s LEU 44 CO 0.04 -0.35 0.00 0.61 -0.29 0.00 0.00 176.35 176.37 3sgb n GLY 45 N 2.19 1.51 2.94 7.98 0.00 0.20 -0.13 105.19 119.88 3sgb n GLY 45 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3sgb n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3sgb s PHE 46 N 0.00 0.21 0.14 1.61 0.08 -1.16 -3.95 117.98 114.91 3sgb s PHE 46 Ca 0.00 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.44 3sgb s PHE 46 Cb 0.00 -0.14 -0.07 0.00 -0.57 0.00 0.00 43.02 42.24 3sgb s PHE 46 CO 0.00 -0.10 1.02 -0.80 -0.10 0.00 0.00 175.22 175.24 3sgb s ASN 47 N -0.85 7.41 0.21 1.36 0.01 -1.26 -0.42 114.94 121.39 3sgb s ASN 47 Ca -0.09 1.92 -0.00 0.00 -0.71 0.00 0.00 52.86 53.98 3sgb s ASN 47 Cb -0.06 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 3sgb s ASN 47 CO -0.00 -0.12 0.15 0.68 -1.51 0.00 0.00 177.10 176.29 3sgb s VAL 48 N -0.12 0.00 0.20 1.60 -7.23 -0.13 -4.21 120.40 110.51 3sgb s VAL 48 Ca 0.48 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 3sgb s VAL 48 Cb -0.26 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.21 3sgb s VAL 48 CO 0.32 0.00 0.52 0.00 -0.31 0.00 0.00 175.10 175.62 3sgb s ARG 48 N -4.09 1.39 -0.14 4.82 1.70 -0.14 -1.20 118.95 121.29 3sgb s ARG 48 Ca 0.39 -0.89 -0.03 0.00 -0.47 0.00 0.00 55.73 54.73 3sgb s ARG 48 Cb 0.06 0.52 0.05 0.00 -0.57 0.00 0.00 34.95 35.01 3sgb s ARG 48 CO 0.13 -0.59 0.05 0.45 -1.08 0.00 0.00 175.30 174.26 3sgb s SER 48 N -2.88 2.28 1.73 -2.89 0.15 -0.35 -1.37 113.70 110.36 3sgb s SER 48 Ca 0.10 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.24 3sgb s SER 48 Cb -0.01 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 3sgb s SER 48 CO -0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.74 3sgb n GLY 48 N 5.16 4.08 1.04 9.45 0.00 -1.26 -0.75 105.19 122.91 3sgb n GLY 48 Ca -0.07 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3sgb n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3sgb n SER 48 N 7.91 3.11 -4.62 1.61 3.41 -1.26 -4.89 113.62 118.89 3sgb n SER 48 Ca 0.00 -1.94 -0.37 0.00 -0.26 0.00 0.00 58.87 56.29 3sgb n SER 48 Cb 0.00 -0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 3sgb n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3sgb s THR 49 N -1.57 5.32 -0.09 6.66 2.01 0.07 -5.07 115.64 122.97 3sgb s THR 49 Ca 0.37 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 3sgb s THR 49 Cb 0.22 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 3sgb s THR 49 CO 0.31 0.28 0.19 -0.31 -0.69 0.00 0.00 174.62 174.40 3sgb s TYR 50 N 1.50 3.62 0.22 4.92 1.51 -1.26 -1.22 117.35 126.64 3sgb s TYR 50 Ca 0.08 0.61 -0.05 0.00 -1.01 0.00 0.00 57.07 56.69 3sgb s TYR 50 Cb -0.15 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3sgb s TYR 50 CO 0.08 0.72 0.27 0.71 -1.11 0.00 0.00 175.55 176.22 3sgb s TYR 51 N -1.05 0.86 0.06 2.71 1.51 -0.34 -1.64 117.35 119.45 3sgb s TYR 51 Ca 0.17 -1.13 0.04 0.00 -1.01 0.00 0.00 57.07 55.14 3sgb s TYR 51 Cb -0.13 -0.27 -0.03 0.00 -0.11 0.00 0.00 41.96 41.43 3sgb s TYR 51 CO 0.06 -0.79 -0.12 -0.59 -1.11 0.00 0.00 175.55 173.01 3sgb s PHE 52 N -4.08 1.03 0.16 2.71 -0.12 0.10 -0.96 117.98 116.82 3sgb s PHE 52 Ca 0.33 -0.45 -0.03 0.00 -0.05 0.00 0.00 56.93 56.72 3sgb s PHE 52 Cb 0.04 -0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 41.79 3sgb s PHE 52 CO 0.11 0.01 0.37 -0.51 -0.05 0.00 0.00 175.22 175.15 3sgb s LEU 53 N -1.59 4.25 0.00 -1.99 1.43 0.43 -1.01 118.68 120.21 3sgb s LEU 53 Ca -0.04 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 3sgb s LEU 53 Cb -0.10 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.90 3sgb s LEU 53 CO 0.02 0.02 0.26 1.07 0.23 0.00 0.00 176.35 177.95 3sgb n THR 54 N -0.18 0.00 -2.44 5.49 5.66 -0.70 0.60 114.28 122.71 3sgb n THR 54 Ca -0.03 -0.61 -0.37 0.00 -3.05 0.00 0.00 64.05 59.99 3sgb n THR 54 Cb 0.52 0.44 -0.03 0.00 -1.55 0.00 0.00 70.33 69.71 3sgb n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3sgb s ALA 55 N -1.81 3.11 0.18 1.79 0.00 -1.26 -0.93 121.76 122.84 3sgb s ALA 55 Ca 0.10 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 3sgb s ALA 55 Cb -0.01 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.92 3sgb s ALA 55 CO 0.07 -0.35 1.80 0.78 0.00 0.00 0.00 175.76 178.05 3sgb h GLY 56 N 2.55 0.72 2.00 0.00 0.00 -1.61 -2.02 103.07 104.71 3sgb h GLY 56 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3sgb h GLY 56 CO 0.62 0.14 0.00 1.12 0.00 0.00 0.00 176.54 178.43 3sgb h HIS 57 N 0.55 0.00 0.14 5.60 2.07 -1.88 -0.14 115.15 121.49 3sgb h HIS 57 Ca 0.22 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.45 3sgb h HIS 57 Cb 0.09 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.08 3sgb h HIS 57 CO -0.09 0.00 -1.42 0.00 -3.07 0.00 0.00 177.93 173.35 3sgb h THR 59 N -0.19 0.00 -2.66 0.00 1.35 -1.05 -3.40 112.91 106.96 3sgb h THR 59 Ca -0.29 -0.65 -0.53 0.00 -0.55 0.00 0.00 66.41 64.39 3sgb h THR 59 Cb 1.85 1.65 0.02 0.00 -1.73 0.00 0.00 68.15 69.93 3sgb h THR 59 CO 0.11 0.00 1.02 -0.62 -0.25 0.00 0.00 175.52 175.78 3sgb s ASP 60 N -5.08 6.60 0.00 5.36 2.15 -0.10 -2.04 116.67 123.57 3sgb s ASP 60 Ca 0.09 2.47 0.00 0.00 0.43 0.00 0.00 52.55 55.54 3sgb s ASP 60 Cb 0.10 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3sgb s ASP 60 CO 0.62 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 3sgb n GLY 62 N 4.04 2.78 3.81 2.66 0.00 -1.26 -5.00 105.19 112.22 3sgb n GLY 62 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3sgb n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sgb s ALA 63 N -2.03 3.53 0.01 4.61 0.00 -0.87 -5.01 121.76 122.01 3sgb s ALA 63 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 3sgb s ALA 63 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 3sgb s ALA 63 CO 0.00 0.37 -0.04 0.25 0.00 0.00 0.00 175.76 176.34 3sgb n THR 64 N 1.45 0.59 -3.80 0.00 -2.24 -1.26 -4.62 114.28 104.39 3sgb n THR 64 Ca -0.08 0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.60 3sgb n THR 64 Cb 0.50 -1.44 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 3sgb n THR 64 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3sgb s THR 65 N -1.56 5.33 0.05 4.28 2.01 -1.26 -0.78 115.64 123.71 3sgb s THR 65 Ca -0.04 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.06 3sgb s THR 65 Cb 0.01 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 3sgb s THR 65 CO 0.05 0.29 -0.23 0.26 -0.69 0.00 0.00 174.62 174.31 3sgb s TRP 66 N -1.37 1.97 0.19 4.92 0.52 -0.31 -4.29 118.94 120.56 3sgb s TRP 66 Ca 0.30 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 56.10 3sgb s TRP 66 Cb -0.13 -1.16 -0.05 0.00 -1.15 0.00 0.00 33.47 30.99 3sgb s TRP 66 CO 0.19 0.13 -0.13 -1.58 0.02 0.00 0.00 176.95 175.57 3sgb s TRP 67 N -0.85 1.59 -0.85 -1.98 0.51 -0.21 -0.59 118.94 116.56 3sgb s TRP 67 Ca 0.09 -0.62 0.25 0.00 -2.12 0.00 0.00 56.10 53.70 3sgb s TRP 67 Cb -0.09 -0.76 0.54 0.00 -0.81 0.00 0.00 33.47 32.35 3sgb s TRP 67 CO 0.02 0.28 1.45 0.00 -0.51 0.00 0.00 176.95 178.20 3sgb n ALA 68 N -0.31 3.11 -2.25 0.98 0.00 0.06 -0.81 120.51 121.29 3sgb n ALA 68 Ca -0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 3sgb n ALA 68 Cb 0.60 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 3sgb n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3sgb s ASN 78 N -3.54 1.23 0.49 0.00 4.22 -1.26 -4.82 114.94 111.26 3sgb s ASN 78 Ca 0.09 -0.96 0.18 0.00 -2.14 0.00 0.00 52.86 50.03 3sgb s ASN 78 Cb 0.16 0.07 1.22 0.00 1.28 0.00 0.00 41.25 43.98 3sgb s ASN 78 CO 0.68 -0.42 2.08 0.77 -2.04 0.00 0.00 177.10 178.18 3sgb h SER 79 N 3.08 0.00 0.86 3.54 4.64 -1.99 -0.71 113.55 122.98 3sgb h SER 79 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3sgb h SER 79 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3sgb h SER 79 CO 0.62 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.68 3sgb n ALA 80 N -2.48 1.82 -3.54 5.18 0.00 -1.26 -4.92 120.51 115.32 3sgb n ALA 80 Ca -0.03 0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 3sgb n ALA 80 Cb 0.18 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.31 3sgb n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3sgb n ARG 81 N -2.10 -6.52 -0.00 0.00 3.00 -0.27 -4.92 116.66 105.84 3sgb n ARG 81 Ca 0.03 0.79 0.06 0.00 -0.01 0.00 0.00 57.85 58.72 3sgb n ARG 81 Cb 0.27 -5.73 -0.09 0.00 0.00 0.00 0.00 32.46 26.91 3sgb n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3sgb n THR 82 N -4.36 0.00 -3.82 0.55 -2.24 -1.26 -4.89 114.28 98.26 3sgb n THR 82 Ca -0.21 -0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 3sgb n THR 82 Cb 0.64 0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 69.06 3sgb n THR 82 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3sgb s THR 83 N -2.74 3.48 0.42 4.28 2.01 -1.26 -5.07 115.64 116.76 3sgb s THR 83 Ca -0.03 -1.12 -0.23 0.00 0.31 0.00 0.00 61.69 60.62 3sgb s THR 83 Cb 0.08 -2.93 -0.09 0.00 0.01 0.00 0.00 72.50 69.57 3sgb s THR 83 CO 0.49 -0.07 1.03 -0.69 -0.69 0.00 0.00 174.62 174.69 3sgb s VAL 84 N 1.37 3.82 -0.07 3.82 1.01 -1.26 -0.76 120.40 128.32 3sgb s VAL 84 Ca -0.02 1.30 -0.10 0.00 0.00 0.00 0.00 61.98 63.16 3sgb s VAL 84 Cb -0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3sgb s VAL 84 CO 0.01 -0.08 -0.21 0.18 0.00 0.00 0.00 175.10 175.00 3sgb n LEU 85 N -0.34 1.57 0.00 3.92 4.77 0.24 -4.56 117.00 122.60 3sgb n LEU 85 Ca 0.06 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3sgb n LEU 85 Cb 0.51 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3sgb n LEU 85 CO 0.43 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3sgb n GLY 86 N 2.27 -0.66 3.16 -0.72 0.00 -1.14 -0.41 105.19 107.71 3sgb n GLY 86 Ca -0.10 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 3sgb n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3sgb s THR 87 N -3.00 1.28 0.13 2.61 -4.23 -0.80 -1.17 115.64 110.48 3sgb s THR 87 Ca 0.00 -0.89 -0.33 0.00 -1.18 0.00 0.00 61.69 59.29 3sgb s THR 87 Cb 0.00 -1.11 -0.13 0.00 1.34 0.00 0.00 72.50 72.60 3sgb s THR 87 CO 0.00 0.20 1.68 0.41 -0.54 0.00 0.00 174.62 176.38 3sgb n THR 88 N 2.25 0.13 -0.01 3.99 -1.04 0.04 -0.85 114.28 118.79 3sgb n THR 88 Ca -0.16 -0.02 0.07 0.00 -2.04 0.00 0.00 64.05 61.89 3sgb n THR 88 Cb 0.54 -1.76 -0.11 0.00 -1.82 0.00 0.00 70.33 67.19 3sgb n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3sgb n SER 89 N 4.27 1.77 -3.56 8.00 7.64 0.02 -4.86 113.62 126.89 3sgb n SER 89 Ca 0.18 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 3sgb n SER 89 Cb 0.31 1.63 -0.04 0.00 -1.01 0.00 0.00 64.21 65.10 3sgb n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3sgb s GLY 90 N -3.65 -0.33 -0.18 0.23 0.00 -0.94 -4.97 107.32 97.47 3sgb s GLY 90 Ca -0.05 1.74 -0.12 0.00 0.00 0.00 0.00 44.72 46.29 3sgb s GLY 90 CO 0.59 0.86 0.45 -0.45 0.00 0.00 0.00 173.10 174.55 3sgb s SER 91 N -1.45 -0.54 -0.34 1.64 0.15 -1.26 -1.50 113.70 110.40 3sgb s SER 91 Ca -0.01 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.60 3sgb s SER 91 Cb -0.01 0.88 0.11 0.00 -1.71 0.00 0.00 66.02 65.30 3sgb s SER 91 CO -0.00 -0.19 0.13 -0.55 1.20 0.00 0.00 173.24 173.83 3sgb s SER 93 N 1.02 3.98 -0.27 5.45 0.15 0.97 -5.00 113.70 119.99 3sgb s SER 93 Ca -0.06 -1.92 -0.24 0.00 0.70 0.00 0.00 55.95 54.43 3sgb s SER 93 Cb -0.06 -0.95 0.08 0.00 -1.71 0.00 0.00 66.02 63.38 3sgb s SER 93 CO -0.09 -0.38 0.79 0.12 1.20 0.00 0.00 173.24 174.89 3sgb s PHE 94 N 1.25 -0.75 0.00 3.44 5.36 -1.26 -1.93 117.98 124.10 3sgb s PHE 94 Ca 0.12 1.77 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 3sgb s PHE 94 Cb -0.19 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 3sgb s PHE 94 CO -0.17 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 172.87 3sgb n PRO 99 N 2.81 2.11 0.00 10.12 -0.04 -1.26 -4.96 135.00 143.78 3sgb n PRO 99 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3sgb n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3sgb n PRO 99 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3sgb n ASN 100 N 0.00 0.00 -3.37 3.54 3.02 0.13 -4.75 115.26 113.84 3sgb n ASN 100 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 3sgb n ASN 100 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3sgb n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3sgb n ASN 101 N 3.95 1.35 -3.01 6.41 3.02 -1.26 -1.61 115.26 124.11 3sgb n ASN 101 Ca 0.00 -1.80 -0.16 0.00 -0.03 0.00 0.00 54.58 52.60 3sgb n ASN 101 Cb 0.00 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 3sgb n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3sgb n ASP 102 N -2.36 -1.64 -3.82 6.41 4.64 -1.14 -3.98 116.55 114.66 3sgb n ASP 102 Ca 0.04 -2.86 -0.12 0.00 -1.38 0.00 0.00 54.79 50.47 3sgb n ASP 102 Cb 0.29 0.61 -0.09 0.00 -1.04 0.00 0.00 41.12 40.89 3sgb n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 3sgb s TYR 103 N 0.06 -0.07 0.20 -0.67 1.13 -0.81 -3.58 117.35 113.60 3sgb s TYR 103 Ca 0.33 0.08 -0.06 0.00 -1.41 0.00 0.00 57.07 56.01 3sgb s TYR 103 Cb 0.13 0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.98 3sgb s TYR 103 CO -0.16 -0.32 0.25 0.20 -2.51 0.00 0.00 175.55 173.02 3sgb s GLY 104 N -1.25 0.97 -0.10 5.49 0.00 -0.10 -0.02 107.32 112.31 3sgb s GLY 104 Ca -0.13 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.21 3sgb s GLY 104 CO 0.03 -1.08 0.25 -1.50 0.00 0.00 0.00 173.10 170.80 3sgb s ILE 105 N -4.07 -0.01 -0.09 0.90 2.07 -0.56 -1.73 121.20 117.71 3sgb s ILE 105 Ca 0.29 0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.60 3sgb s ILE 105 Cb 0.04 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.28 3sgb s ILE 105 CO 0.08 0.01 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.20 3sgb s VAL 106 N 0.37 1.97 -0.19 4.00 1.01 -0.18 -0.80 120.40 126.58 3sgb s VAL 106 Ca -0.02 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 3sgb s VAL 106 Cb -0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3sgb s VAL 106 CO -0.02 0.54 0.63 -0.60 0.00 0.00 0.00 175.10 175.66 3sgb s ARG 107 N 0.32 4.23 0.25 2.72 3.52 -0.03 -0.72 118.95 129.24 3sgb s ARG 107 Ca -0.17 0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 55.77 3sgb s ARG 107 Cb -0.17 -3.57 -0.10 0.00 -1.56 0.00 0.00 34.95 29.55 3sgb s ARG 107 CO 0.08 -0.21 1.47 0.71 -0.81 0.00 0.00 175.30 176.54 3sgb s TYR 108 N 1.81 2.98 -0.04 5.12 1.51 -0.65 -1.90 117.35 126.19 3sgb s TYR 108 Ca 0.29 0.97 0.01 0.00 -1.01 0.00 0.00 57.07 57.33 3sgb s TYR 108 Cb -0.16 -3.86 -0.01 0.00 -0.11 0.00 0.00 41.96 37.82 3sgb s TYR 108 CO 0.11 -2.85 0.04 0.25 -1.11 0.00 0.00 175.55 171.98 3sgb n THR 109 N 2.40 0.00 -3.00 -0.71 -2.24 0.46 -4.89 114.28 106.29 3sgb n THR 109 Ca 0.07 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 3sgb n THR 109 Cb 0.40 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 69.48 3sgb n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3sgb s ASN 110 N -1.28 6.73 0.12 3.42 3.04 -0.95 -4.98 114.94 121.04 3sgb s ASN 110 Ca 0.00 0.90 0.14 0.00 0.04 0.00 0.00 52.86 53.94 3sgb s ASN 110 Cb 0.01 -2.39 -0.10 0.00 -1.54 0.00 0.00 41.25 37.22 3sgb s ASN 110 CO 0.04 -0.43 1.06 0.71 -3.04 0.00 0.00 177.10 175.45 3sgb h THR 111 N 5.38 0.86 0.15 -5.21 1.35 -1.93 -3.39 112.91 110.13 3sgb h THR 111 Ca -0.26 -2.40 -0.36 0.00 -0.55 0.00 0.00 66.41 62.84 3sgb h THR 111 Cb 1.11 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 69.87 3sgb h THR 111 CO 0.82 0.49 -1.89 0.71 -0.25 0.00 0.00 175.52 175.41 3sgb h THR 112 N 0.00 0.77 -2.54 6.82 1.35 -1.99 -3.48 112.91 113.84 3sgb h THR 112 Ca -0.11 -2.42 -0.56 0.00 -0.55 0.00 0.00 66.41 62.78 3sgb h THR 112 Cb 1.62 2.63 0.06 0.00 -1.73 0.00 0.00 68.15 70.73 3sgb h THR 112 CO 0.07 0.88 0.84 0.00 -0.25 0.00 0.00 175.52 177.07 3sgb n ILE 113 N -3.54 0.23 -2.13 6.82 3.06 -1.26 -4.93 119.36 117.61 3sgb n ILE 113 Ca -0.29 -0.06 -0.41 0.00 -2.50 0.00 0.00 62.75 59.49 3sgb n ILE 113 Cb 1.06 -1.70 -0.03 0.00 0.54 0.00 0.00 39.64 39.51 3sgb n ILE 113 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3sgb s PRO 114 N 0.66 4.35 -0.71 9.51 0.05 -1.26 -4.91 135.00 142.69 3sgb s PRO 114 Ca 0.75 2.17 0.04 0.00 0.05 0.00 0.00 61.00 64.01 3sgb s PRO 114 Cb -0.61 -3.13 0.24 0.00 0.05 0.00 0.00 34.50 31.05 3sgb s PRO 114 CO 0.39 -0.27 0.78 1.63 0.05 0.00 0.00 177.00 179.58 3sgb n LYS 115 N 1.99 2.62 -1.92 4.56 5.02 -1.26 -0.80 118.16 128.37 3sgb n LYS 115 Ca 0.04 -4.62 -0.41 0.00 -2.02 0.00 0.00 58.31 51.30 3sgb n LYS 115 Cb 0.42 -2.30 -0.01 0.00 -0.02 0.00 0.00 35.03 33.11 3sgb n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3sgb s ASP 116 N -2.08 6.51 -0.48 4.39 1.01 -1.09 -4.91 116.67 120.02 3sgb s ASP 116 Ca 0.36 2.87 -0.03 0.00 0.71 0.00 0.00 52.55 56.46 3sgb s ASP 116 Cb 0.09 -2.65 0.12 0.00 1.01 0.00 0.00 42.92 41.49 3sgb s ASP 116 CO -0.04 -0.76 2.60 0.61 0.21 0.00 0.00 175.17 177.79 3sgb n GLY 117 N 1.11 4.47 3.29 0.21 0.00 -1.26 -4.59 105.19 108.42 3sgb n GLY 117 Ca 0.03 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 3sgb n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3sgb s THR 118 N -2.59 0.18 -0.34 2.61 -4.23 -1.26 -2.94 115.64 107.06 3sgb s THR 118 Ca 0.55 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 3sgb s THR 118 Cb 0.38 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.80 3sgb s THR 118 CO -0.21 0.00 0.05 -0.69 -0.54 0.00 0.00 174.62 173.23 3sgb s VAL 119 N -3.72 2.39 0.00 2.29 1.01 -0.09 -0.92 120.40 121.35 3sgb s VAL 119 Ca 0.38 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 60.10 3sgb s VAL 119 Cb 0.05 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3sgb s VAL 119 CO 0.18 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.33 3sgb n GLY 120 N 4.30 2.32 0.00 4.51 0.00 -0.97 -0.65 105.19 114.71 3sgb n GLY 120 Ca 0.02 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.68 3sgb n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgb n GLY 121 N 0.00 -1.07 3.68 -0.02 0.00 -1.26 -4.87 105.19 101.66 3sgb n GLY 121 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3sgb n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3sgb s GLN 122 N -2.63 4.40 0.31 1.61 2.00 0.18 -5.00 119.66 120.52 3sgb s GLN 122 Ca 0.20 1.40 -0.29 0.00 -2.00 0.00 0.00 55.36 54.67 3sgb s GLN 122 Cb 0.15 -3.55 -0.10 0.00 0.80 0.00 0.00 33.01 30.31 3sgb s GLN 122 CO 0.36 -0.35 1.36 0.34 -0.50 0.00 0.00 175.29 176.49 3sgb s ASP 123 N 1.12 6.71 -0.14 6.67 3.68 -1.26 -0.92 116.67 132.53 3sgb s ASP 123 Ca 0.48 2.70 0.02 0.00 2.13 0.00 0.00 52.55 57.87 3sgb s ASP 123 Cb -0.18 -2.64 0.01 0.00 -1.45 0.00 0.00 42.92 38.66 3sgb s ASP 123 CO 0.17 -0.61 -0.19 -0.63 0.13 0.00 0.00 175.17 174.04 3sgb s ILE 124 N -0.76 1.88 0.00 4.11 -1.09 -1.15 -4.30 121.20 119.89 3sgb s ILE 124 Ca 0.52 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 3sgb s ILE 124 Cb -0.41 -1.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.78 3sgb s ILE 124 CO 0.50 0.51 0.00 0.35 -1.23 0.00 0.00 174.94 175.08 3sgb n THR 125 N 4.27 0.00 -3.96 2.92 -2.24 0.56 -4.68 114.28 111.15 3sgb n THR 125 Ca -0.20 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3sgb n THR 125 Cb 0.51 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 3sgb n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3sgb s SER 126 N -1.14 0.05 0.06 3.42 1.04 -1.21 -4.92 113.70 111.00 3sgb s SER 126 Ca 0.00 -0.99 0.08 0.00 0.48 0.00 0.00 55.95 55.52 3sgb s SER 126 Cb 0.00 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 3sgb s SER 126 CO 0.00 -1.29 -0.20 0.00 0.98 0.00 0.00 173.24 172.73 3sgb s ALA 127 N -3.58 2.53 0.13 5.32 0.00 -1.26 -0.48 121.76 124.42 3sgb s ALA 127 Ca 0.20 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 3sgb s ALA 127 Cb -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3sgb s ALA 127 CO 0.11 0.57 0.13 0.00 0.00 0.00 0.00 175.76 176.56 3sgb s ALA 128 N -0.95 0.51 0.12 0.00 0.00 -0.51 -4.87 121.76 116.06 3sgb s ALA 128 Ca 0.15 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 3sgb s ALA 128 Cb -0.10 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 3sgb s ALA 128 CO 0.06 -0.53 0.46 -0.80 0.00 0.00 0.00 175.76 174.95 3sgb s ASN 129 N -3.00 6.69 0.61 0.00 0.01 -1.26 -4.53 114.94 113.45 3sgb s ASN 129 Ca 0.20 0.88 -0.16 0.00 -0.71 0.00 0.00 52.86 53.07 3sgb s ASN 129 Cb 0.06 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 3sgb s ASN 129 CO -0.00 0.12 1.08 0.00 -1.51 0.00 0.00 177.10 176.78 3sgb s ALA 130 N -1.48 2.65 0.08 0.60 0.00 -1.26 -5.07 121.76 117.28 3sgb s ALA 130 Ca 0.36 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.82 3sgb s ALA 130 Cb -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3sgb s ALA 130 CO 0.19 -0.95 -0.09 0.95 0.00 0.00 0.00 175.76 175.86 3sgb s THR 131 N -2.38 0.79 0.22 0.00 -4.23 -1.26 -5.08 115.64 103.69 3sgb s THR 131 Ca 0.65 -1.51 -0.31 0.00 -1.18 0.00 0.00 61.69 59.35 3sgb s THR 131 Cb -0.18 -1.18 -0.10 0.00 1.34 0.00 0.00 72.50 72.38 3sgb s THR 131 CO 0.38 -0.54 1.53 -0.69 -0.54 0.00 0.00 174.62 174.75 3sgb s VAL 132 N -2.27 2.52 0.00 2.29 1.01 -1.26 -2.11 120.40 120.58 3sgb s VAL 132 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3sgb s VAL 132 Cb -0.04 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3sgb s VAL 132 CO -0.01 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.75 3sgb n GLY 133 N 2.90 0.96 3.72 4.51 0.00 0.27 -5.00 105.19 112.54 3sgb n GLY 133 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3sgb n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3sgb s MET 134 N -0.83 4.33 0.01 1.61 0.00 -0.90 -4.73 119.30 118.80 3sgb s MET 134 Ca 0.00 2.04 -0.30 0.00 0.00 0.00 0.00 55.69 57.43 3sgb s MET 134 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 34.83 31.54 3sgb s MET 134 CO 0.00 -0.41 1.05 0.00 0.00 0.00 0.00 175.02 175.66 3sgb s ALA 135 N 1.06 3.26 0.20 4.11 0.00 -1.26 -1.09 121.76 128.04 3sgb s ALA 135 Ca 0.64 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3sgb s ALA 135 Cb -0.36 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3sgb s ALA 135 CO 0.30 -0.33 0.08 0.14 0.00 0.00 0.00 175.76 175.95 3sgb s VAL 136 N 1.13 0.35 0.02 0.00 -7.23 -0.20 -4.71 120.40 109.75 3sgb s VAL 136 Ca 0.54 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3sgb s VAL 136 Cb -0.23 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 3sgb s VAL 136 CO 0.27 -0.19 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.93 3sgb s THR 137 N -3.90 0.38 0.10 5.32 2.01 0.19 -0.90 115.64 118.84 3sgb s THR 137 Ca 0.33 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.85 3sgb s THR 137 Cb 0.07 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 3sgb s THR 137 CO 0.09 -0.14 -0.25 -0.60 -0.69 0.00 0.00 174.62 173.03 3sgb s ARG 138 N -0.77 1.42 -0.03 4.92 3.52 0.13 -0.40 118.95 127.75 3sgb s ARG 138 Ca -0.04 -1.23 0.02 0.00 -0.13 0.00 0.00 55.73 54.35 3sgb s ARG 138 Cb -0.05 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.57 3sgb s ARG 138 CO -0.00 0.43 -0.09 0.50 -0.81 0.00 0.00 175.30 175.33 3sgb s ARG 139 N -1.79 0.94 0.17 5.12 3.52 -0.91 -0.97 118.95 125.04 3sgb s ARG 139 Ca 0.11 -0.29 -0.06 0.00 -0.13 0.00 0.00 55.73 55.36 3sgb s ARG 139 Cb -0.10 -0.88 -0.02 0.00 -1.56 0.00 0.00 34.95 32.39 3sgb s ARG 139 CO 0.04 0.10 0.23 0.20 -0.81 0.00 0.00 175.30 175.07 3sgb s GLY 140 N 0.21 0.78 0.08 8.12 0.00 -0.56 -3.43 107.32 112.53 3sgb s GLY 140 Ca -0.03 -1.17 0.28 0.00 0.00 0.00 0.00 44.72 43.79 3sgb s GLY 140 CO 0.00 -1.03 1.82 -1.14 0.00 0.00 0.00 173.10 172.75 3sgb n SER 141 N -0.22 0.34 -0.11 1.64 3.41 -1.08 -1.34 113.62 116.25 3sgb n SER 141 Ca -0.04 0.47 -0.20 0.00 -0.26 0.00 0.00 58.87 58.83 3sgb n SER 141 Cb 0.64 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 3sgb n SER 141 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3sgb n THR 142 N -1.79 1.51 1.02 6.66 -1.04 -1.26 -4.71 114.28 114.67 3sgb n THR 142 Ca 0.06 -0.08 0.11 0.00 -2.04 0.00 0.00 64.05 62.10 3sgb n THR 142 Cb 0.37 -2.09 0.04 0.00 -1.82 0.00 0.00 70.33 66.84 3sgb n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3sgb n THR 143 N -4.41 0.00 -4.10 12.58 -2.24 -1.24 -5.07 114.28 109.80 3sgb n THR 143 Ca -0.33 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3sgb n THR 143 Cb 0.66 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3sgb n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3sgb n GLY 156 N 1.47 0.55 3.69 3.38 0.00 -0.45 -4.78 105.19 109.05 3sgb n GLY 156 Ca 0.06 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3sgb n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3sgb s THR 157 N 0.00 5.33 0.03 2.61 2.01 -1.26 -1.49 115.64 122.88 3sgb s THR 157 Ca 0.00 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.19 3sgb s THR 157 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 3sgb s THR 157 CO 0.00 0.41 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.26 3sgb s HIS 158 N 0.62 0.62 0.38 4.92 3.76 -0.14 -4.98 115.29 120.47 3sgb s HIS 158 Ca 0.07 -0.44 0.06 0.00 -0.15 0.00 0.00 55.06 54.61 3sgb s HIS 158 Cb -0.12 -0.38 -0.07 0.00 1.11 0.00 0.00 32.58 33.12 3sgb s HIS 158 CO 0.01 -0.08 0.01 -1.12 -0.85 0.00 0.00 174.74 172.71 3sgb s SER 159 N -1.35 3.46 0.00 1.40 0.01 -1.26 0.22 113.70 116.18 3sgb s SER 159 Ca -0.08 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.82 3sgb s SER 159 Cb -0.09 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.83 3sgb s SER 159 CO 0.00 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.79 3sgb n GLY 160 N -0.88 -0.60 3.10 3.44 0.00 -0.08 -4.69 105.19 105.48 3sgb n GLY 160 Ca -0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 3sgb n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sgb s SER 161 N -4.00 0.66 -0.01 1.61 1.04 -1.26 -1.03 113.70 110.71 3sgb s SER 161 Ca 0.00 -0.93 -0.30 0.00 0.48 0.00 0.00 55.95 55.20 3sgb s SER 161 Cb 0.00 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3sgb s SER 161 CO 0.00 -0.51 1.11 -0.69 0.98 0.00 0.00 173.24 174.13 3sgb s VAL 162 N -3.45 4.43 -0.26 5.02 1.01 -0.25 -2.41 120.40 124.49 3sgb s VAL 162 Ca 0.05 1.74 0.09 0.00 0.00 0.00 0.00 61.98 63.87 3sgb s VAL 162 Cb 0.04 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 3sgb s VAL 162 CO -0.07 0.08 0.32 0.35 0.00 0.00 0.00 175.10 175.78 3sgb n THR 163 N 4.18 0.00 -3.53 3.92 -2.24 0.46 -0.56 114.28 116.51 3sgb n THR 163 Ca 0.09 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 3sgb n THR 163 Cb 0.48 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 3sgb n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3sgb s ALA 164 N -2.22 -1.86 0.32 6.98 0.00 -1.15 -4.92 121.76 118.91 3sgb s ALA 164 Ca 0.01 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.28 3sgb s ALA 164 Cb 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 3sgb s ALA 164 CO 0.39 -0.55 -0.11 -0.51 0.00 0.00 0.00 175.76 174.98 3sgb s LEU 165 N -1.98 2.67 -1.40 0.00 1.43 -1.26 -0.52 118.68 117.62 3sgb s LEU 165 Ca 0.02 -1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 51.89 3sgb s LEU 165 Cb -0.01 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.30 3sgb s LEU 165 CO -0.05 -0.18 0.87 -3.20 0.23 0.00 0.00 176.35 174.02 3sgb n ASN 166 N -0.72 -3.08 -4.85 2.29 4.05 -0.84 -4.92 115.26 107.19 3sgb n ASN 166 Ca -0.05 -0.77 -0.34 0.00 0.45 0.00 0.00 54.58 53.87 3sgb n ASN 166 Cb 0.63 -4.12 -0.06 0.00 1.23 0.00 0.00 39.78 37.46 3sgb n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3sgb s ALA 167 N -3.48 3.47 -0.17 5.20 0.00 0.67 -4.36 121.76 123.09 3sgb s ALA 167 Ca 0.31 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 3sgb s ALA 167 Cb -0.15 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 3sgb s ALA 167 CO 0.81 0.42 0.21 0.99 0.00 0.00 0.00 175.76 178.19 3sgb s THR 168 N -1.73 5.36 -0.11 0.00 2.01 -1.26 -1.63 115.64 118.28 3sgb s THR 168 Ca 0.46 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.86 3sgb s THR 168 Cb -0.13 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.85 3sgb s THR 168 CO 0.20 0.44 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.71 3sgb s VAL 169 N 0.23 1.55 -0.40 3.82 1.01 0.53 -5.01 120.40 122.13 3sgb s VAL 169 Ca 0.13 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3sgb s VAL 169 Cb -0.12 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.90 3sgb s VAL 169 CO 0.02 0.45 0.25 0.21 0.00 0.00 0.00 175.10 176.03 3sgb s ASN 170 N 0.98 5.75 0.00 3.32 2.47 -1.26 -1.28 114.94 124.91 3sgb s ASN 170 Ca -0.06 -1.25 0.16 0.00 0.42 0.00 0.00 52.86 52.13 3sgb s ASN 170 Cb -0.15 -2.03 0.61 0.00 -1.45 0.00 0.00 41.25 38.23 3sgb s ASN 170 CO -0.02 -0.48 1.44 -1.22 -3.72 0.00 0.00 177.10 173.11 3sgb n TYR 171 N 4.99 0.25 0.00 0.43 0.53 0.11 -4.99 117.16 118.48 3sgb n TYR 171 Ca -0.11 -0.12 0.00 0.00 -1.02 0.00 0.00 57.90 56.64 3sgb n TYR 171 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.75 3sgb n TYR 171 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3sgb n GLY 172 N 1.02 -1.83 2.54 2.72 0.00 -1.23 -4.77 105.19 103.64 3sgb n GLY 172 Ca 0.13 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 3sgb n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgb n GLY 173 N -1.63 1.73 1.11 -0.02 0.00 -1.26 -0.06 105.19 105.06 3sgb n GLY 173 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3sgb n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgb n GLY 174 N -0.70 0.72 3.40 -0.02 0.00 -1.26 -5.00 105.19 102.33 3sgb n GLY 174 Ca -0.18 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 3sgb n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3sgb s ASP 175 N -2.05 6.95 -0.13 1.61 -0.00 0.92 -4.96 116.67 119.01 3sgb s ASP 175 Ca 0.00 -2.82 -0.03 0.00 -0.00 0.00 0.00 52.55 49.70 3sgb s ASP 175 Cb 0.00 -2.32 -0.03 0.00 -0.00 0.00 0.00 42.92 40.57 3sgb s ASP 175 CO 0.00 -0.69 -0.01 -0.69 -0.00 0.00 0.00 175.17 173.78 3sgb s VAL 176 N 0.91 4.14 -0.02 -1.27 1.01 -1.26 0.04 120.40 123.94 3sgb s VAL 176 Ca 0.32 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.08 3sgb s VAL 176 Cb -0.07 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3sgb s VAL 176 CO -0.06 0.53 -0.23 0.68 0.00 0.00 0.00 175.10 176.02 3sgb s VAL 177 N -0.11 2.32 0.26 2.92 -7.23 -0.40 0.22 120.40 118.39 3sgb s VAL 177 Ca 0.03 -1.02 0.10 0.00 -1.81 0.00 0.00 61.98 59.29 3sgb s VAL 177 Cb -0.13 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 3sgb s VAL 177 CO 0.02 0.57 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.90 3sgb s TYR 178 N -0.65 2.13 -0.98 2.82 2.02 -0.64 -0.35 117.35 121.71 3sgb s TYR 178 Ca 0.10 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3sgb s TYR 178 Cb -0.10 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 3sgb s TYR 178 CO -0.00 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 174.98 3sgb n GLY 179 N -0.57 0.82 3.88 0.71 0.00 -1.00 -4.82 105.19 104.21 3sgb n GLY 179 Ca -0.06 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 3sgb n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3sgb s MET 180 N -3.28 3.74 -0.12 1.61 -1.94 -0.64 -4.37 119.30 114.30 3sgb s MET 180 Ca 0.00 0.40 -0.22 0.00 -1.71 0.00 0.00 55.69 54.17 3sgb s MET 180 Cb 0.00 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 3sgb s MET 180 CO 0.00 -0.03 0.64 0.42 -0.01 0.00 0.00 175.02 176.04 3sgb s ILE 181 N -2.38 5.06 -0.11 2.53 1.01 0.20 -0.24 121.20 127.27 3sgb s ILE 181 Ca 0.50 1.27 -0.09 0.00 0.00 0.00 0.00 60.65 62.34 3sgb s ILE 181 Cb -0.10 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3sgb s ILE 181 CO 0.33 0.21 0.20 -0.60 0.00 0.00 0.00 174.94 175.07 3sgb s ARG 182 N 1.17 3.65 0.26 2.79 3.52 0.33 -0.40 118.95 130.27 3sgb s ARG 182 Ca 0.32 -0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.92 3sgb s ARG 182 Cb -0.17 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 3sgb s ARG 182 CO 0.14 0.68 0.20 0.95 -0.81 0.00 0.00 175.30 176.46 3sgb s THR 183 N -0.80 0.00 -0.27 4.11 -4.23 -0.34 -0.40 115.64 113.71 3sgb s THR 183 Ca 0.16 -1.98 0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3sgb s THR 183 Cb -0.13 -2.50 0.60 0.00 1.34 0.00 0.00 72.50 71.82 3sgb s THR 183 CO 0.05 0.00 1.59 -0.46 -0.54 0.00 0.00 174.62 175.26 3sgb n ASN 184 N -0.81 3.79 -4.82 3.99 0.23 -1.01 -2.10 115.26 114.53 3sgb n ASN 184 Ca 0.04 -3.33 -0.36 0.00 -0.53 0.00 0.00 54.58 50.39 3sgb n ASN 184 Cb 0.64 -0.65 -0.06 0.00 -2.08 0.00 0.00 39.78 37.63 3sgb n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3sgb s VAL 190 N -3.03 4.70 0.73 3.53 1.01 -1.26 -4.64 120.40 121.44 3sgb s VAL 190 Ca 0.48 1.11 -0.09 0.00 0.00 0.00 0.00 61.98 63.48 3sgb s VAL 190 Cb 0.40 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 33.01 3sgb s VAL 190 CO 0.08 0.29 1.07 0.00 0.00 0.00 0.00 175.10 176.54 3sgb s ALA 192 N -3.35 -1.84 0.16 0.00 0.00 -1.26 -4.94 121.76 110.53 3sgb s ALA 192 Ca 0.60 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.74 3sgb s ALA 192 Cb -0.11 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3sgb s ALA 192 CO 0.47 -0.53 0.13 -1.21 0.00 0.00 0.00 175.76 174.62 3sgb s GLU 192 N -2.29 1.08 0.15 0.00 2.02 -1.26 -4.62 118.70 113.78 3sgb s GLU 192 Ca 0.01 -1.47 -0.34 0.00 0.02 0.00 0.00 54.97 53.19 3sgb s GLU 192 Cb -0.01 0.28 -0.15 0.00 0.10 0.00 0.00 34.13 34.35 3sgb s GLU 192 CO -0.04 -0.35 1.36 -2.30 0.02 0.00 0.00 175.26 173.95 3sgb n PRO 192 N -0.19 1.52 0.00 0.39 -0.02 -1.26 -0.78 135.00 134.67 3sgb n PRO 192 Ca -0.03 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3sgb n PRO 192 Cb 0.64 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3sgb n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3sgb n GLY 193 N 2.52 2.48 0.08 -1.23 0.00 -1.26 -4.71 105.19 103.07 3sgb n GLY 193 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3sgb n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3sgb n ASP 194 N 0.00 0.59 -4.59 1.61 10.43 0.04 -3.33 116.55 121.31 3sgb n ASP 194 Ca 0.00 0.56 -0.43 0.00 2.57 0.00 0.00 54.79 57.49 3sgb n ASP 194 Cb 0.00 -0.72 -0.00 0.00 1.84 0.00 0.00 41.12 42.24 3sgb n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3sgb n SER 195 N -2.06 1.15 0.00 -2.24 7.64 -1.26 -1.97 113.62 114.88 3sgb n SER 195 Ca 0.06 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3sgb n SER 195 Cb 0.40 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3sgb n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3sgb n GLY 196 N 1.24 1.99 3.73 0.23 0.00 0.06 -0.21 105.19 112.23 3sgb n GLY 196 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3sgb n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sgb s GLY 197 N -2.00 1.67 0.46 -0.02 0.00 -0.83 -2.49 107.32 104.10 3sgb s GLY 197 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.85 3sgb s GLY 197 CO 0.00 0.72 1.01 2.56 0.00 0.00 0.00 173.10 177.40 3sgb s PRO 198 N -4.82 3.98 -0.17 2.90 0.04 -1.22 -0.11 135.00 135.59 3sgb s PRO 198 Ca 0.63 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 3sgb s PRO 198 Cb -0.19 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3sgb s PRO 198 CO 0.57 -0.27 -0.15 -1.17 0.04 0.00 0.00 177.00 176.02 3sgb s LEU 199 N -3.27 2.45 0.27 -3.56 2.96 0.11 -2.15 118.68 115.50 3sgb s LEU 199 Ca 0.64 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3sgb s LEU 199 Cb -0.15 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3sgb s LEU 199 CO 0.19 0.05 0.10 -0.72 -1.32 0.00 0.00 176.35 174.65 3sgb s TYR 200 N 1.04 1.59 -0.27 5.38 -0.85 0.47 -0.66 117.35 124.05 3sgb s TYR 200 Ca -0.01 -1.18 -0.03 0.00 -0.52 0.00 0.00 57.07 55.33 3sgb s TYR 200 Cb -0.15 -0.94 0.11 0.00 0.38 0.00 0.00 41.96 41.36 3sgb s TYR 200 CO -0.04 -0.31 0.19 0.45 -1.52 0.00 0.00 175.55 174.32 3sgb s SER 201 N -3.34 2.51 1.87 -0.18 0.15 0.15 -0.64 113.70 114.22 3sgb s SER 201 Ca 0.37 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.12 3sgb s SER 201 Cb 0.08 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 3sgb s SER 201 CO 0.14 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3sgb n GLY 202 N 5.28 3.77 0.87 9.45 0.00 -1.26 -1.57 105.19 121.73 3sgb n GLY 202 Ca -0.05 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3sgb n GLY 202 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3sgb n THR 207 N 0.00 0.55 -3.71 2.61 -2.24 -1.26 -4.89 114.28 105.34 3sgb n THR 207 Ca 0.00 -0.61 -0.35 0.00 -2.27 0.00 0.00 64.05 60.82 3sgb n THR 207 Cb 0.00 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 3sgb n THR 207 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3sgb s ARG 208 N -1.45 4.16 -0.04 -0.78 0.52 -0.61 -0.33 118.95 120.43 3sgb s ARG 208 Ca 0.34 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.01 3sgb s ARG 208 Cb 0.18 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 3sgb s ARG 208 CO 0.24 0.24 1.23 0.00 0.02 0.00 0.00 175.30 177.03 3sgb s ALA 209 N 0.54 3.50 -0.10 2.13 0.00 0.37 0.34 121.76 128.55 3sgb s ALA 209 Ca 0.08 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 3sgb s ALA 209 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3sgb s ALA 209 CO -0.00 -0.75 -0.13 -0.89 0.00 0.00 0.00 175.76 173.98 3sgb n ILE 210 N 4.56 0.58 -3.86 0.00 2.08 0.17 -1.42 119.36 121.47 3sgb n ILE 210 Ca 0.11 -0.13 -0.10 0.00 0.56 0.00 0.00 62.75 63.19 3sgb n ILE 210 Cb 0.46 -1.65 0.01 0.00 -0.75 0.00 0.00 39.64 37.72 3sgb n ILE 210 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3sgb s GLY 211 N -5.17 0.61 -0.04 7.39 0.00 -0.35 -1.05 107.32 108.71 3sgb s GLY 211 Ca -0.14 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 43.72 3sgb s GLY 211 CO 0.18 -0.45 -0.22 1.08 0.00 0.00 0.00 173.10 173.69 3sgb s LEU 212 N -3.11 2.02 0.13 0.66 1.43 -0.16 -0.71 118.68 118.94 3sgb s LEU 212 Ca 0.18 -0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 3sgb s LEU 212 Cb -0.04 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 3sgb s LEU 212 CO 0.13 0.23 1.52 -0.89 0.23 0.00 0.00 176.35 177.58 3sgb s THR 213 N -0.26 2.92 -0.08 5.49 2.01 0.84 -0.10 115.64 126.47 3sgb s THR 213 Ca 0.01 0.62 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 3sgb s THR 213 Cb -0.11 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3sgb s THR 213 CO 0.01 0.04 -0.20 -0.24 -0.69 0.00 0.00 174.62 173.54 3sgb n SER 214 N 4.27 1.54 -3.45 3.53 2.88 -0.32 -0.76 113.62 121.32 3sgb n SER 214 Ca 0.13 0.24 -0.03 0.00 -1.33 0.00 0.00 58.87 57.89 3sgb n SER 214 Cb 0.40 -0.56 0.01 0.00 -0.75 0.00 0.00 64.21 63.31 3sgb n SER 214 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3sgb s GLY 215 N -4.62 0.03 0.00 0.46 0.00 -1.10 -4.88 107.32 97.21 3sgb s GLY 215 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3sgb s GLY 215 CO 0.25 2.18 0.00 0.61 0.00 0.00 0.00 173.10 176.14 3sgb n GLY 216 N -0.67 -1.27 3.21 0.20 0.00 -1.26 -0.10 105.19 105.29 3sgb n GLY 216 Ca -0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 3sgb n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sgb s SER 217 N -3.62 0.85 0.00 1.61 1.04 0.40 -4.99 113.70 108.99 3sgb s SER 217 Ca 0.00 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3sgb s SER 217 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3sgb s SER 217 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3sgb n GLY 218 N -0.20 -1.69 3.80 7.32 0.00 -1.26 -1.65 105.19 111.50 3sgb n GLY 218 Ca -0.06 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 3sgb n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sgb s ASN 219 N -4.00 0.01 0.44 1.61 2.20 -0.87 -4.87 114.94 109.46 3sgb s ASN 219 Ca 0.00 -1.12 0.24 0.00 -0.94 0.00 0.00 52.86 51.04 3sgb s ASN 219 Cb 0.00 0.84 0.56 0.00 -2.00 0.00 0.00 41.25 40.65 3sgb s ASN 219 CO 0.00 -1.66 1.68 0.00 -2.94 0.00 0.00 177.10 174.18 3sgb h SER 221 N 0.00 0.41 0.06 0.00 0.87 -2.00 -3.37 113.55 109.52 3sgb h SER 221 Ca -0.00 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 3sgb h SER 221 Cb 0.93 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 3sgb h SER 221 CO 0.01 1.37 -1.24 -1.20 -0.53 0.00 0.00 176.83 175.24 3sgb n SER 222 N -4.16 0.69 0.00 6.23 7.64 -1.24 -5.08 113.62 117.69 3sgb n SER 222 Ca -0.15 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.10 3sgb n SER 222 Cb 0.79 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 65.20 3sgb n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3sgb n GLY 223 N 1.42 2.62 1.35 0.23 0.00 0.74 -4.93 105.19 106.63 3sgb n GLY 223 Ca 0.02 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 3sgb n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgb n GLY 224 N 0.90 1.73 2.99 -0.02 0.00 -1.18 -2.05 105.19 107.55 3sgb n GLY 224 Ca 0.00 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 3sgb n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3sgb s THR 225 N -2.67 0.81 0.01 2.61 2.01 -0.66 -4.21 115.64 113.55 3sgb s THR 225 Ca 0.06 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.76 3sgb s THR 225 Cb -0.02 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 3sgb s THR 225 CO 0.05 0.27 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.25 3sgb s THR 226 N 0.44 0.82 -0.03 -0.82 2.01 -0.89 -0.45 115.64 116.72 3sgb s THR 226 Ca -0.07 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.30 3sgb s THR 226 Cb -0.11 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 3sgb s THR 226 CO 0.01 0.07 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.52 3sgb s PHE 227 N -0.56 2.72 0.05 4.92 0.40 0.85 -1.19 117.98 125.17 3sgb s PHE 227 Ca 0.01 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 3sgb s PHE 227 Cb -0.06 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 3sgb s PHE 227 CO 0.00 0.24 -0.14 -0.06 0.70 0.00 0.00 175.22 175.96 3sgb s PHE 228 N -0.82 1.25 -0.04 0.36 0.08 0.47 -1.17 117.98 118.11 3sgb s PHE 228 Ca 0.13 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.52 3sgb s PHE 228 Cb -0.11 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3sgb s PHE 228 CO 0.03 0.05 0.83 -1.14 -0.10 0.00 0.00 175.22 174.89 3sgb s GLN 229 N -1.40 4.49 0.12 0.44 2.00 0.86 -0.63 119.66 125.54 3sgb s GLN 229 Ca 0.00 1.13 -0.32 0.00 -2.00 0.00 0.00 55.36 54.17 3sgb s GLN 229 Cb -0.09 -3.46 -0.11 0.00 0.80 0.00 0.00 33.01 30.15 3sgb s GLN 229 CO 0.02 0.00 1.80 -2.30 -0.50 0.00 0.00 175.29 174.31 3sgb n PRO 230 N 3.88 2.68 0.21 1.67 -0.02 -1.26 -0.99 135.00 141.17 3sgb n PRO 230 Ca 0.02 0.97 0.08 0.00 -2.02 0.00 0.00 63.50 62.55 3sgb n PRO 230 Cb 0.51 -2.85 0.47 0.00 -0.02 0.00 0.00 33.50 31.62 3sgb n PRO 230 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3sgb h VAL 231 N 4.51 0.81 -0.51 -1.45 3.04 -1.39 -3.09 116.25 118.17 3sgb h VAL 231 Ca -0.46 -1.12 -0.02 0.00 -1.01 0.00 0.00 66.70 64.09 3sgb h VAL 231 Cb 1.23 1.68 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 3sgb h VAL 231 CO 0.94 0.27 0.24 0.71 -1.01 0.00 0.00 177.57 178.72 3sgb h THR 232 N 0.00 1.17 -0.68 3.17 1.35 -1.85 -0.47 112.91 115.60 3sgb h THR 232 Ca -0.00 -0.50 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 3sgb h THR 232 Cb 0.66 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 3sgb h THR 232 CO 0.04 0.20 0.33 -0.33 -0.25 0.00 0.00 175.52 175.51 3sgb h GLU 233 N 0.71 0.98 -0.26 4.72 5.08 -1.94 -1.85 114.58 122.03 3sgb h GLU 233 Ca 0.18 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3sgb h GLU 233 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3sgb h GLU 233 CO -0.02 0.77 -0.01 0.00 -1.00 0.00 0.00 179.01 178.75 3sgb h ALA 234 N 1.15 0.35 -0.84 3.43 0.00 -1.22 -1.62 119.26 120.51 3sgb h ALA 234 Ca 0.23 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3sgb h ALA 234 Cb 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3sgb h ALA 234 CO -0.03 0.09 0.55 -0.07 0.00 0.00 0.00 179.25 179.80 3sgb h LEU 235 N 0.23 0.87 -0.08 0.00 3.38 -1.09 -2.05 115.31 116.58 3sgb h LEU 235 Ca 0.07 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3sgb h LEU 235 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3sgb h LEU 235 CO 0.02 0.58 -0.25 0.58 0.09 0.00 0.00 178.44 179.46 3sgb h VAL 235 N 1.00 1.42 -0.81 1.22 2.07 -1.28 -1.31 116.25 118.55 3sgb h VAL 235 Ca 0.35 -1.63 0.13 0.00 0.82 0.00 0.00 66.70 66.37 3sgb h VAL 235 Cb 0.10 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 32.06 3sgb h VAL 235 CO -0.11 0.47 0.41 0.00 0.02 0.00 0.00 177.57 178.36 3sgb h ALA 236 N 0.45 1.20 -0.02 1.67 0.00 -1.04 -2.97 119.26 118.55 3sgb h ALA 236 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3sgb h ALA 236 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3sgb h ALA 236 CO 0.05 -0.07 -0.16 0.66 0.00 0.00 0.00 179.25 179.73 3sgb n TYR 237 N -4.86 0.00 -2.99 0.00 4.01 -0.79 -4.99 117.16 107.52 3sgb n TYR 237 Ca 0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.69 3sgb n TYR 237 Cb 0.38 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.45 3sgb n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3sgb n GLY 238 N 1.36 -0.39 3.65 2.72 0.00 -0.56 -5.02 105.19 106.95 3sgb n GLY 238 Ca 0.12 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3sgb n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3sgb s VAL 239 N -3.13 3.18 0.06 1.61 -7.23 -0.80 -4.70 120.40 109.40 3sgb s VAL 239 Ca 0.30 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 3sgb s VAL 239 Cb -0.13 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 3sgb s VAL 239 CO 0.37 -0.31 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.34 3sgb s SER 240 N -3.71 0.97 0.57 4.85 0.01 -0.47 -4.64 113.70 111.28 3sgb s SER 240 Ca 0.33 -0.70 -0.16 0.00 1.31 0.00 0.00 55.95 56.73 3sgb s SER 240 Cb -0.04 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 3sgb s SER 240 CO 0.20 -0.29 1.04 0.68 0.41 0.00 0.00 173.24 175.28 3sgb s VAL 241 N -2.12 4.03 0.00 3.43 -7.23 -1.26 -0.96 120.40 116.28 3sgb s VAL 241 Ca -0.03 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 3sgb s VAL 241 Cb -0.05 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.40 3sgb s VAL 241 CO -0.01 -0.57 0.00 0.00 -0.31 0.00 0.00 175.10 174.21