#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sge s SER 17 N 0.00 2.39 0.16 9.51 1.04 -1.26 -2.40 113.70 123.14 1sge s SER 17 Ca 0.00 -1.72 -0.34 0.00 0.48 0.00 0.00 55.95 54.37 1sge s SER 17 Cb 0.00 0.55 -0.15 0.00 0.10 0.00 0.00 66.02 66.52 1sge s SER 17 CO 0.00 -0.99 1.43 0.61 0.98 0.00 0.00 173.24 175.27 1sge n GLY 18 N -0.81 0.75 0.00 7.32 0.00 -0.11 -2.14 105.19 110.19 1sge n GLY 18 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1sge n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sge n GLY 19 N 2.76 3.44 3.77 -0.02 0.00 0.11 -2.45 105.19 112.80 1sge n GLY 19 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1sge n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sge s ASP 29 N -0.94 5.00 0.49 1.61 1.01 -0.91 -2.26 116.67 120.67 1sge s ASP 29 Ca 0.00 2.02 -0.22 0.00 0.71 0.00 0.00 52.55 55.06 1sge s ASP 29 Cb 0.00 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1sge s ASP 29 CO 0.00 -1.70 1.23 0.00 0.21 0.00 0.00 175.17 174.91 1sge s ALA 30 N -2.34 2.92 0.01 5.23 0.00 -1.26 -0.52 121.76 125.80 1sge s ALA 30 Ca 0.67 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.72 1sge s ALA 30 Cb -0.21 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1sge s ALA 30 CO 0.42 -0.89 -0.07 0.96 0.00 0.00 0.00 175.76 176.17 1sge s ILE 31 N -1.47 0.57 -0.04 0.00 -4.36 -0.62 -4.74 121.20 110.54 1sge s ILE 31 Ca 0.66 -0.48 0.06 0.00 -0.26 0.00 0.00 60.65 60.63 1sge s ILE 31 Cb -0.32 -0.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.86 1sge s ILE 31 CO 0.39 0.04 -0.22 -0.31 0.24 0.00 0.00 174.94 175.08 1sge s TYR 32 N -0.43 2.09 0.00 1.37 1.51 -0.24 -0.05 117.35 121.60 1sge s TYR 32 Ca 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1sge s TYR 32 Cb -0.04 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.43 1sge s TYR 32 CO -0.00 -0.15 0.00 -1.13 -1.11 0.00 0.00 175.55 173.16 1sge n SER 33 N 2.90 1.36 0.22 2.29 3.41 -0.56 -0.69 113.62 122.54 1sge n SER 33 Ca -0.17 -0.81 0.14 0.00 -0.26 0.00 0.00 58.87 57.76 1sge n SER 33 Cb 0.52 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.87 1sge n SER 33 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sge h SER 34 N 0.00 0.00 0.06 4.04 4.64 -1.95 -3.31 113.55 117.03 1sge h SER 34 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1sge h SER 34 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1sge h SER 34 CO 0.00 0.00 -2.28 0.35 -0.87 0.00 0.00 176.83 174.03 1sge n THR 39 N -2.93 1.59 -2.28 2.95 -2.24 -1.26 -5.10 114.28 105.01 1sge n THR 39 Ca 0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1sge n THR 39 Cb 0.42 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1sge n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sge n GLY 40 N 2.13 2.06 3.29 3.38 0.00 -1.25 -5.16 105.19 109.64 1sge n GLY 40 Ca -0.40 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1sge n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sge s ARG 41 N 1.15 2.24 0.00 1.61 3.52 -1.26 -1.50 118.95 124.71 1sge s ARG 41 Ca 0.00 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 1sge s ARG 41 Cb 0.00 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1sge s ARG 41 CO 0.00 0.48 0.00 0.00 -0.81 0.00 0.00 175.30 174.97 1sge s SER 43 N -0.55 2.80 0.10 0.00 0.01 0.16 -1.59 113.70 114.63 1sge s SER 43 Ca 0.00 -0.49 -0.31 0.00 1.31 0.00 0.00 55.95 56.46 1sge s SER 43 Cb 0.00 -0.28 -0.07 0.00 0.21 0.00 0.00 66.02 65.88 1sge s SER 43 CO 0.00 0.25 1.32 -0.22 0.41 0.00 0.00 173.24 175.00 1sge s LEU 44 N -0.90 4.37 0.00 2.44 0.20 0.32 -3.90 118.68 121.22 1sge s LEU 44 Ca 0.09 2.22 0.00 0.00 0.69 0.00 0.00 54.13 57.14 1sge s LEU 44 Cb -0.09 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 1sge s LEU 44 CO 0.01 -0.58 0.00 0.61 -0.29 0.00 0.00 176.35 176.10 1sge n GLY 45 N 3.32 0.82 2.95 7.98 0.00 0.77 0.05 105.19 121.08 1sge n GLY 45 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1sge n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sge s PHE 46 N -0.36 0.22 0.01 1.61 0.08 -1.18 -4.04 117.98 114.32 1sge s PHE 46 Ca 0.00 -0.30 -0.26 0.00 0.12 0.00 0.00 56.93 56.49 1sge s PHE 46 Cb 0.00 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.26 1sge s PHE 46 CO 0.00 -0.10 0.80 -0.80 -0.10 0.00 0.00 175.22 175.02 1sge s ASN 47 N -0.84 7.20 0.24 1.36 0.01 -1.26 -1.02 114.94 120.63 1sge s ASN 47 Ca -0.08 1.44 0.01 0.00 -0.71 0.00 0.00 52.86 53.52 1sge s ASN 47 Cb -0.06 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1sge s ASN 47 CO -0.00 -0.07 0.09 0.68 -1.51 0.00 0.00 177.10 176.29 1sge s VAL 48 N 0.35 0.45 0.25 1.60 -7.23 -0.31 -4.35 120.40 111.16 1sge s VAL 48 Ca 0.41 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.45 1sge s VAL 48 Cb -0.20 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 1sge s VAL 48 CO 0.23 -0.05 0.51 0.00 -0.31 0.00 0.00 175.10 175.48 1sge s ARG 48 N -4.05 1.57 -0.21 4.82 1.70 0.48 -1.83 118.95 121.43 1sge s ARG 48 Ca 0.37 -1.21 -0.04 0.00 -0.47 0.00 0.00 55.73 54.38 1sge s ARG 48 Cb 0.08 0.49 0.11 0.00 -0.57 0.00 0.00 34.95 35.05 1sge s ARG 48 CO 0.12 -0.66 0.28 0.45 -1.08 0.00 0.00 175.30 174.42 1sge s SER 48 N -3.00 0.87 1.81 -2.89 0.15 -0.02 -1.62 113.70 109.00 1sge s SER 48 Ca 0.21 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1sge s SER 48 Cb -0.01 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1sge s SER 48 CO 0.09 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1sge n GLY 48 N 5.34 3.68 1.05 9.45 0.00 -1.26 -1.06 105.19 122.39 1sge n GLY 48 Ca -0.05 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1sge n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sge n SER 48 N 7.88 3.12 -4.62 1.61 3.41 -1.26 -4.91 113.62 118.85 1sge n SER 48 Ca 0.00 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.31 1sge n SER 48 Cb 0.00 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 1sge n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sge s THR 49 N -1.46 4.96 -0.12 6.66 2.01 -0.22 -5.07 115.64 122.40 1sge s THR 49 Ca 0.38 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 1sge s THR 49 Cb 0.22 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1sge s THR 49 CO 0.30 0.39 0.17 -0.31 -0.69 0.00 0.00 174.62 174.48 1sge s TYR 50 N 0.84 3.59 0.30 4.92 1.51 -1.26 -0.84 117.35 126.42 1sge s TYR 50 Ca 0.05 0.56 0.05 0.00 -1.01 0.00 0.00 57.07 56.72 1sge s TYR 50 Cb -0.13 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1sge s TYR 50 CO 0.02 0.68 0.25 0.71 -1.11 0.00 0.00 175.55 176.11 1sge s TYR 51 N -0.89 1.61 0.03 2.71 1.51 -0.76 -1.32 117.35 120.25 1sge s TYR 51 Ca 0.15 -1.59 0.02 0.00 -1.01 0.00 0.00 57.07 54.63 1sge s TYR 51 Cb -0.12 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1sge s TYR 51 CO 0.04 -0.83 -0.06 -0.59 -1.11 0.00 0.00 175.55 173.00 1sge s PHE 52 N -3.59 0.54 0.06 2.71 -0.12 -0.60 -1.16 117.98 115.82 1sge s PHE 52 Ca 0.40 -0.48 -0.09 0.00 -0.05 0.00 0.00 56.93 56.71 1sge s PHE 52 Cb 0.03 -0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.04 1sge s PHE 52 CO 0.24 -0.11 0.37 -0.51 -0.05 0.00 0.00 175.22 175.16 1sge s LEU 53 N -1.45 4.35 0.00 -1.99 1.43 -0.19 -1.03 118.68 119.81 1sge s LEU 53 Ca -0.11 0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1sge s LEU 53 Cb -0.09 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1sge s LEU 53 CO -0.00 0.19 0.01 1.07 0.23 0.00 0.00 176.35 177.85 1sge n THR 54 N 0.95 0.00 -2.46 5.49 5.66 -0.68 -0.16 114.28 123.08 1sge n THR 54 Ca -0.09 -0.03 -0.36 0.00 -3.05 0.00 0.00 64.05 60.52 1sge n THR 54 Cb 0.52 0.02 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 1sge n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sge s ALA 55 N -1.66 2.97 0.24 1.79 0.00 -1.26 -1.45 121.76 122.38 1sge s ALA 55 Ca 0.01 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1sge s ALA 55 Cb -0.00 -3.30 0.27 0.00 0.00 0.00 0.00 23.12 20.09 1sge s ALA 55 CO 0.00 -0.38 1.65 0.78 0.00 0.00 0.00 175.76 177.81 1sge h GLY 56 N 2.03 0.66 2.00 0.00 0.00 -1.61 -1.10 103.07 105.06 1sge h GLY 56 Ca -0.49 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.26 1sge h GLY 56 CO 0.60 0.53 0.00 1.12 0.00 0.00 0.00 176.54 178.80 1sge h HIS 57 N 0.52 0.00 0.11 5.60 2.07 -1.87 -0.08 115.15 121.50 1sge h HIS 57 Ca 0.07 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.23 1sge h HIS 57 Cb 0.77 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.73 1sge h HIS 57 CO 0.03 0.00 -1.96 0.00 -3.07 0.00 0.00 177.93 172.93 1sge h THR 59 N -0.02 0.37 -2.43 0.00 1.35 -0.82 -3.41 112.91 107.95 1sge h THR 59 Ca -0.43 -1.00 -0.53 0.00 -0.55 0.00 0.00 66.41 63.91 1sge h THR 59 Cb 1.97 1.75 0.03 0.00 -1.73 0.00 0.00 68.15 70.16 1sge h THR 59 CO 0.06 0.16 1.19 -0.62 -0.25 0.00 0.00 175.52 176.05 1sge s ASP 60 N -6.07 6.43 -1.04 5.36 2.15 -0.09 -1.34 116.67 122.07 1sge s ASP 60 Ca 0.01 2.71 0.00 0.00 0.43 0.00 0.00 52.55 55.71 1sge s ASP 60 Cb 0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1sge s ASP 60 CO 0.62 -1.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.19 1sge n GLY 62 N 4.43 1.06 3.65 2.66 0.00 -1.26 -5.00 105.19 110.72 1sge n GLY 62 Ca 0.19 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1sge n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sge s ALA 63 N -2.12 3.17 0.01 4.61 0.00 -0.45 -4.99 121.76 122.00 1sge s ALA 63 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1sge s ALA 63 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1sge s ALA 63 CO 0.00 0.66 -0.05 0.25 0.00 0.00 0.00 175.76 176.62 1sge n THR 64 N 1.04 0.63 -3.72 0.00 -2.24 -1.26 -4.59 114.28 104.15 1sge n THR 64 Ca -0.13 0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 1sge n THR 64 Cb 0.52 -1.47 -0.05 0.00 -2.10 0.00 0.00 70.33 67.23 1sge n THR 64 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sge s THR 65 N -1.61 5.25 -0.03 4.28 2.01 -1.26 -0.58 115.64 123.69 1sge s THR 65 Ca -0.04 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.26 1sge s THR 65 Cb 0.01 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1sge s THR 65 CO 0.06 0.34 -0.26 0.26 -0.69 0.00 0.00 174.62 174.34 1sge s TRP 66 N -1.33 2.37 0.20 4.92 0.52 -0.34 -4.29 118.94 121.00 1sge s TRP 66 Ca 0.29 -0.55 0.09 0.00 0.02 0.00 0.00 56.10 55.95 1sge s TRP 66 Cb -0.13 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.60 1sge s TRP 66 CO 0.17 -0.11 -0.17 -1.58 0.02 0.00 0.00 176.95 175.28 1sge s TRP 67 N -0.43 1.85 -1.34 -1.98 0.51 0.13 0.15 118.94 117.83 1sge s TRP 67 Ca 0.05 -0.49 0.28 0.00 -2.12 0.00 0.00 56.10 53.81 1sge s TRP 67 Cb -0.11 -0.87 0.98 0.00 -0.81 0.00 0.00 33.47 32.65 1sge s TRP 67 CO 0.01 0.41 1.72 0.00 -0.51 0.00 0.00 176.95 178.58 1sge n ALA 68 N -0.16 2.92 -2.15 0.98 0.00 0.75 -1.07 120.51 121.77 1sge n ALA 68 Ca -0.09 -0.27 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 1sge n ALA 68 Cb 0.59 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 1sge n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sge s ASN 78 N -2.73 0.44 0.47 0.00 4.22 -1.26 -4.82 114.94 111.25 1sge s ASN 78 Ca 0.20 -0.95 0.20 0.00 -2.14 0.00 0.00 52.86 50.17 1sge s ASN 78 Cb 0.19 0.22 1.16 0.00 1.28 0.00 0.00 41.25 44.10 1sge s ASN 78 CO 0.55 -0.62 2.01 0.77 -2.04 0.00 0.00 177.10 177.77 1sge h SER 79 N 3.10 0.00 0.28 3.54 4.64 -1.98 -1.21 113.55 121.91 1sge h SER 79 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1sge h SER 79 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1sge h SER 79 CO 0.65 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 1sge n ALA 80 N -2.41 2.23 -3.88 5.18 0.00 -1.26 -4.85 120.51 115.52 1sge n ALA 80 Ca -0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 1sge n ALA 80 Cb 0.26 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.37 1sge n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sge n ARG 81 N -1.19 -5.77 -0.06 0.00 3.00 -0.46 -4.88 116.66 107.30 1sge n ARG 81 Ca 0.13 0.62 -0.01 0.00 -0.01 0.00 0.00 57.85 58.58 1sge n ARG 81 Cb 0.15 -5.53 -0.16 0.00 0.00 0.00 0.00 32.46 26.92 1sge n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1sge n THR 82 N -4.72 0.84 -3.62 0.55 -2.24 -1.26 -4.83 114.28 99.00 1sge n THR 82 Ca 0.03 -0.71 -0.39 0.00 -2.27 0.00 0.00 64.05 60.71 1sge n THR 82 Cb 0.53 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1sge n THR 82 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sge s THR 83 N -2.91 4.67 0.19 4.28 2.01 -1.26 -5.06 115.64 117.55 1sge s THR 83 Ca -0.09 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 1sge s THR 83 Cb 0.09 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 1sge s THR 83 CO 0.86 -0.04 0.83 -0.69 -0.69 0.00 0.00 174.62 174.90 1sge s VAL 84 N 1.61 4.27 -0.18 3.82 1.01 -1.26 -0.18 120.40 129.48 1sge s VAL 84 Ca 0.04 1.84 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 1sge s VAL 84 Cb -0.18 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 1sge s VAL 84 CO 0.07 0.51 -0.34 0.18 0.00 0.00 0.00 175.10 175.52 1sge n LEU 85 N 1.59 1.90 0.00 3.92 4.77 0.12 -4.46 117.00 124.84 1sge n LEU 85 Ca -0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1sge n LEU 85 Cb 0.48 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1sge n LEU 85 CO 0.48 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1sge n GLY 86 N 1.51 -0.72 3.21 -0.72 0.00 -1.14 -1.20 105.19 106.14 1sge n GLY 86 Ca -0.20 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 1sge n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sge s THR 87 N -3.00 1.46 0.09 2.61 -4.23 -0.61 -1.20 115.64 110.77 1sge s THR 87 Ca 0.00 -1.13 -0.34 0.00 -1.18 0.00 0.00 61.69 59.04 1sge s THR 87 Cb 0.00 -1.29 -0.13 0.00 1.34 0.00 0.00 72.50 72.42 1sge s THR 87 CO 0.00 0.12 1.69 0.41 -0.54 0.00 0.00 174.62 176.30 1sge n THR 88 N 1.84 0.19 0.08 3.99 -1.04 0.25 -0.53 114.28 119.07 1sge n THR 88 Ca -0.18 -0.03 0.07 0.00 -2.04 0.00 0.00 64.05 61.87 1sge n THR 88 Cb 0.54 -1.71 -0.11 0.00 -1.82 0.00 0.00 70.33 67.23 1sge n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sge n SER 89 N 4.54 1.62 -3.57 8.00 7.64 -0.52 -4.83 113.62 126.49 1sge n SER 89 Ca 0.19 -0.11 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 1sge n SER 89 Cb 0.30 1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 65.01 1sge n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sge s GLY 90 N -3.44 -0.31 -0.16 0.23 0.00 -1.06 -4.98 107.32 97.59 1sge s GLY 90 Ca -0.04 1.96 -0.09 0.00 0.00 0.00 0.00 44.72 46.55 1sge s GLY 90 CO 0.58 1.07 0.39 -0.45 0.00 0.00 0.00 173.10 174.69 1sge s SER 91 N -1.03 -0.49 -0.33 1.64 0.15 -1.26 -1.31 113.70 111.06 1sge s SER 91 Ca -0.03 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1sge s SER 91 Cb -0.01 0.73 0.11 0.00 -1.71 0.00 0.00 66.02 65.14 1sge s SER 91 CO 0.02 -0.19 0.11 -0.55 1.20 0.00 0.00 173.24 173.84 1sge s SER 93 N 1.37 4.05 -0.28 5.45 0.15 0.15 -4.98 113.70 119.60 1sge s SER 93 Ca -0.09 -1.84 -0.24 0.00 0.70 0.00 0.00 55.95 54.47 1sge s SER 93 Cb -0.09 -0.97 0.11 0.00 -1.71 0.00 0.00 66.02 63.36 1sge s SER 93 CO -0.12 -0.39 0.92 0.12 1.20 0.00 0.00 173.24 174.96 1sge s PHE 94 N 1.35 -0.61 0.00 3.44 5.36 -1.26 -2.31 117.98 123.95 1sge s PHE 94 Ca 0.11 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 1sge s PHE 94 Cb -0.19 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1sge s PHE 94 CO -0.19 -0.30 0.00 -0.35 -1.46 0.00 0.00 175.22 172.92 1sge n PRO 99 N 2.61 1.46 0.00 10.12 -0.04 -1.26 -4.96 135.00 142.94 1sge n PRO 99 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1sge n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1sge n PRO 99 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sge n ASN 100 N 0.00 0.00 -2.63 3.54 3.02 0.10 -4.74 115.26 114.55 1sge n ASN 100 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1sge n ASN 100 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sge n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sge n ASN 101 N 3.90 1.36 -2.89 6.41 3.02 -1.26 -1.24 115.26 124.57 1sge n ASN 101 Ca 0.00 -1.42 -0.11 0.00 -0.03 0.00 0.00 54.58 53.02 1sge n ASN 101 Cb 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1sge n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sge n ASP 102 N -1.99 -2.42 -3.73 6.41 2.03 -1.15 -4.12 116.55 111.58 1sge n ASP 102 Ca -0.00 -2.97 -0.13 0.00 0.52 0.00 0.00 54.79 52.22 1sge n ASP 102 Cb 0.14 1.19 -0.08 0.00 -0.72 0.00 0.00 41.12 41.65 1sge n ASP 102 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1sge s TYR 103 N 0.44 -0.18 0.16 -0.67 -0.85 -0.98 -3.57 117.35 111.70 1sge s TYR 103 Ca 0.32 0.15 -0.13 0.00 -0.52 0.00 0.00 57.07 56.89 1sge s TYR 103 Cb 0.11 0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.59 1sge s TYR 103 CO -0.15 -0.48 0.36 0.20 -1.52 0.00 0.00 175.55 173.96 1sge s GLY 104 N -1.78 0.12 0.02 5.49 0.00 -0.53 0.29 107.32 110.94 1sge s GLY 104 Ca -0.08 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1sge s GLY 104 CO -0.00 -0.56 -0.04 -1.50 0.00 0.00 0.00 173.10 170.99 1sge s ILE 105 N -3.90 0.25 -0.06 0.90 2.07 -0.43 -1.68 121.20 118.36 1sge s ILE 105 Ca 0.11 -0.87 0.04 0.00 -1.41 0.00 0.00 60.65 58.51 1sge s ILE 105 Cb 0.02 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.25 1sge s ILE 105 CO -0.04 -0.40 -0.18 -0.69 -1.91 0.00 0.00 174.94 171.72 1sge s VAL 106 N -1.27 1.53 -0.09 4.00 1.01 -0.19 -1.43 120.40 123.95 1sge s VAL 106 Ca -0.12 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 1sge s VAL 106 Cb -0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1sge s VAL 106 CO -0.00 0.44 0.52 -0.60 0.00 0.00 0.00 175.10 175.45 1sge s ARG 107 N 0.21 4.32 0.13 2.72 3.52 0.31 -1.56 118.95 128.59 1sge s ARG 107 Ca -0.09 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 1sge s ARG 107 Cb -0.14 -3.41 -0.07 0.00 -1.56 0.00 0.00 34.95 29.77 1sge s ARG 107 CO 0.04 0.21 1.23 0.71 -0.81 0.00 0.00 175.30 176.68 1sge s TYR 108 N 0.43 3.40 -0.01 5.12 2.02 -0.43 -1.57 117.35 126.29 1sge s TYR 108 Ca 0.28 1.29 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 1sge s TYR 108 Cb -0.16 -3.47 -0.03 0.00 -0.40 0.00 0.00 41.96 37.90 1sge s TYR 108 CO 0.12 -1.45 0.05 0.25 -1.57 0.00 0.00 175.55 172.95 1sge n THR 109 N 3.30 0.00 -2.62 -0.71 -2.24 -0.34 -4.86 114.28 106.81 1sge n THR 109 Ca 0.07 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 1sge n THR 109 Cb 0.45 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 1sge n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sge s ASN 110 N -2.08 6.96 0.22 3.42 3.04 -0.92 -4.92 114.94 120.65 1sge s ASN 110 Ca -0.01 1.19 0.23 0.00 0.04 0.00 0.00 52.86 54.32 1sge s ASN 110 Cb 0.01 -2.54 0.25 0.00 -1.54 0.00 0.00 41.25 37.43 1sge s ASN 110 CO 0.08 -0.83 1.31 0.71 -3.04 0.00 0.00 177.10 175.33 1sge h THR 111 N 5.66 0.00 0.00 -5.21 1.35 -1.92 -3.38 112.91 109.41 1sge h THR 111 Ca -0.21 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1sge h THR 111 Cb 1.07 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1sge h THR 111 CO 1.02 0.00 -1.32 0.35 -0.25 0.00 0.00 175.52 175.32 1sge n THR 112 N -2.54 0.00 -1.98 6.82 -2.24 -1.26 -4.98 114.28 108.11 1sge n THR 112 Ca 0.02 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 1sge n THR 112 Cb 0.50 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 1sge n THR 112 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1sge s ILE 113 N -2.69 2.57 0.26 2.28 2.07 -1.26 -4.94 121.20 119.48 1sge s ILE 113 Ca -0.02 0.48 -0.30 0.00 -1.41 0.00 0.00 60.65 59.40 1sge s ILE 113 Cb 0.08 -3.30 -0.10 0.00 0.13 0.00 0.00 42.46 39.27 1sge s ILE 113 CO 0.52 0.08 1.40 -2.16 -1.91 0.00 0.00 174.94 172.87 1sge s PRO 114 N -0.40 4.30 -0.84 3.50 0.04 -1.26 -4.89 135.00 135.45 1sge s PRO 114 Ca 0.60 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.90 1sge s PRO 114 Cb -0.43 -3.11 0.23 0.00 0.04 0.00 0.00 34.50 31.23 1sge s PRO 114 CO 0.44 -0.35 0.80 1.63 0.04 0.00 0.00 177.00 179.56 1sge n LYS 115 N 2.06 2.68 -2.14 4.56 5.02 -1.26 -0.47 118.16 128.60 1sge n LYS 115 Ca 0.05 -4.53 -0.41 0.00 -2.02 0.00 0.00 58.31 51.40 1sge n LYS 115 Cb 0.41 -2.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.02 1sge n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sge s ASP 116 N -1.01 6.81 -0.29 4.39 1.01 -1.01 -4.90 116.67 121.66 1sge s ASP 116 Ca 0.30 2.57 -0.05 0.00 0.71 0.00 0.00 52.55 56.08 1sge s ASP 116 Cb -0.01 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 1sge s ASP 116 CO -0.09 -0.55 3.16 0.61 0.21 0.00 0.00 175.17 178.52 1sge n GLY 117 N 1.63 3.74 3.33 0.21 0.00 -1.26 -4.58 105.19 108.26 1sge n GLY 117 Ca 0.03 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1sge n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sge s THR 118 N -0.62 0.10 -0.32 2.61 -4.23 -1.26 -2.85 115.64 109.07 1sge s THR 118 Ca 0.63 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1sge s THR 118 Cb 0.34 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.82 1sge s THR 118 CO -0.11 0.00 0.04 -0.69 -0.54 0.00 0.00 174.62 173.31 1sge s VAL 119 N -3.40 1.94 0.00 2.29 1.01 0.27 -0.94 120.40 121.57 1sge s VAL 119 Ca 0.37 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1sge s VAL 119 Cb 0.02 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1sge s VAL 119 CO 0.25 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1sge n GLY 120 N 4.41 2.47 0.05 4.51 0.00 -1.02 -0.58 105.19 115.03 1sge n GLY 120 Ca 0.00 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.72 1sge n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sge n GLY 121 N 0.00 -1.17 3.65 -0.02 0.00 -1.26 -4.84 105.19 101.55 1sge n GLY 121 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1sge n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sge s GLN 122 N -2.62 4.08 0.39 1.61 2.00 0.25 -4.98 119.66 120.40 1sge s GLN 122 Ca 0.25 1.95 -0.25 0.00 -2.00 0.00 0.00 55.36 55.32 1sge s GLN 122 Cb 0.20 -3.96 -0.09 0.00 0.80 0.00 0.00 33.01 29.96 1sge s GLN 122 CO 0.50 -0.94 1.11 0.34 -0.50 0.00 0.00 175.29 175.80 1sge s ASP 123 N 3.35 6.65 -0.12 6.67 2.15 -1.26 -0.57 116.67 133.54 1sge s ASP 123 Ca 0.70 2.21 0.02 0.00 0.43 0.00 0.00 52.55 55.90 1sge s ASP 123 Cb -0.29 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 39.74 1sge s ASP 123 CO 0.27 -0.58 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.89 1sge s ILE 124 N -1.50 1.68 -0.02 4.11 -1.09 -1.13 -4.34 121.20 118.91 1sge s ILE 124 Ca 0.57 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1sge s ILE 124 Cb -0.27 -1.52 -0.01 0.00 -1.58 0.00 0.00 42.46 39.08 1sge s ILE 124 CO 0.34 0.48 0.03 0.35 -1.23 0.00 0.00 174.94 174.90 1sge n THR 125 N 4.24 0.00 -3.84 2.92 -2.24 0.53 -4.58 114.28 111.31 1sge n THR 125 Ca -0.19 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1sge n THR 125 Cb 0.51 0.82 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1sge n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sge s SER 126 N -1.43 -0.15 0.21 3.42 1.04 -1.15 -4.88 113.70 110.75 1sge s SER 126 Ca 0.00 -0.82 0.09 0.00 0.48 0.00 0.00 55.95 55.71 1sge s SER 126 Cb 0.01 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 1sge s SER 126 CO 0.03 -1.47 -0.09 0.00 0.98 0.00 0.00 173.24 172.68 1sge s ALA 127 N -3.27 2.95 0.17 5.32 0.00 -1.26 -0.04 121.76 125.63 1sge s ALA 127 Ca 0.13 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 1sge s ALA 127 Cb -0.06 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1sge s ALA 127 CO 0.09 0.40 0.39 0.00 0.00 0.00 0.00 175.76 176.64 1sge s ALA 128 N -1.91 -0.49 0.09 0.00 0.00 -0.47 -4.81 121.76 114.17 1sge s ALA 128 Ca 0.26 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 1sge s ALA 128 Cb -0.08 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 23.80 1sge s ALA 128 CO 0.16 -0.70 0.50 -0.80 0.00 0.00 0.00 175.76 174.91 1sge s ASN 129 N -2.91 6.83 0.67 0.00 0.01 -1.26 -4.55 114.94 113.74 1sge s ASN 129 Ca 0.12 1.04 -0.16 0.00 -0.71 0.00 0.00 52.86 53.15 1sge s ASN 129 Cb 0.01 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.41 1sge s ASN 129 CO -0.03 0.19 1.16 0.00 -1.51 0.00 0.00 177.10 176.91 1sge s ALA 130 N -1.31 2.36 0.04 0.60 0.00 -1.26 -5.06 121.76 117.14 1sge s ALA 130 Ca 0.33 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1sge s ALA 130 Cb -0.16 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1sge s ALA 130 CO 0.18 -1.45 -0.05 0.95 0.00 0.00 0.00 175.76 175.39 1sge s THR 131 N -2.09 0.33 0.21 0.00 -4.23 -1.26 -5.07 115.64 103.52 1sge s THR 131 Ca 0.71 -1.33 -0.32 0.00 -1.18 0.00 0.00 61.69 59.57 1sge s THR 131 Cb -0.25 -0.88 -0.11 0.00 1.34 0.00 0.00 72.50 72.60 1sge s THR 131 CO 0.41 -0.66 1.66 -0.69 -0.54 0.00 0.00 174.62 174.80 1sge s VAL 132 N -2.39 2.18 0.00 2.29 1.01 -1.26 -2.35 120.40 119.87 1sge s VAL 132 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1sge s VAL 132 Cb -0.03 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1sge s VAL 132 CO -0.04 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1sge n GLY 133 N 3.59 0.83 3.73 4.51 0.00 0.01 -5.00 105.19 112.86 1sge n GLY 133 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1sge n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sge s MET 134 N -0.62 4.38 -0.17 1.61 0.00 -0.99 -4.75 119.30 118.77 1sge s MET 134 Ca 0.00 2.05 -0.28 0.00 0.00 0.00 0.00 55.69 57.46 1sge s MET 134 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 34.83 31.61 1sge s MET 134 CO 0.00 -0.28 0.94 0.00 0.00 0.00 0.00 175.02 175.68 1sge s ALA 135 N 0.31 3.53 0.22 4.11 0.00 -1.26 -1.36 121.76 127.32 1sge s ALA 135 Ca 0.58 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1sge s ALA 135 Cb -0.36 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1sge s ALA 135 CO 0.37 -0.76 -0.01 0.14 0.00 0.00 0.00 175.76 175.50 1sge s VAL 136 N 2.42 1.01 0.00 0.00 -7.23 -0.38 -4.66 120.40 111.56 1sge s VAL 136 Ca 0.43 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1sge s VAL 136 Cb -0.17 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1sge s VAL 136 CO 0.12 -0.35 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.62 1sge s THR 137 N -3.44 0.36 0.11 5.32 2.01 0.40 -1.09 115.64 119.30 1sge s THR 137 Ca 0.28 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.06 1sge s THR 137 Cb 0.06 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 1sge s THR 137 CO 0.08 0.03 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.23 1sge s ARG 138 N -0.31 1.74 -0.03 4.92 3.52 0.87 -0.98 118.95 128.70 1sge s ARG 138 Ca -0.00 -1.19 0.02 0.00 -0.13 0.00 0.00 55.73 54.44 1sge s ARG 138 Cb -0.03 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1sge s ARG 138 CO -0.00 0.48 -0.09 0.50 -0.81 0.00 0.00 175.30 175.38 1sge s ARG 139 N -1.99 0.97 0.16 5.12 3.52 -0.94 -0.94 118.95 124.85 1sge s ARG 139 Ca 0.16 -0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 55.35 1sge s ARG 139 Cb -0.10 -0.91 -0.00 0.00 -1.56 0.00 0.00 34.95 32.38 1sge s ARG 139 CO 0.08 0.12 0.32 0.20 -0.81 0.00 0.00 175.30 175.20 1sge s GLY 140 N 0.18 0.35 0.43 8.12 0.00 -0.46 -3.59 107.32 112.35 1sge s GLY 140 Ca -0.03 -0.75 0.29 0.00 0.00 0.00 0.00 44.72 44.23 1sge s GLY 140 CO 0.00 -0.74 1.86 1.48 0.00 0.00 0.00 173.10 175.70 1sge h SER 141 N 2.50 0.00 0.00 1.64 4.64 -1.59 -1.21 113.55 119.53 1sge h SER 141 Ca -0.31 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.67 1sge h SER 141 Cb 1.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 1sge h SER 141 CO 0.47 0.00 -1.91 0.41 -0.87 0.00 0.00 176.83 174.93 1sge n THR 142 N -2.75 1.53 0.94 2.95 -1.04 -1.26 -4.70 114.28 109.93 1sge n THR 142 Ca 0.02 -0.20 0.11 0.00 -2.04 0.00 0.00 64.05 61.93 1sge n THR 142 Cb 0.30 -1.98 0.08 0.00 -1.82 0.00 0.00 70.33 66.91 1sge n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sge n THR 143 N -4.34 0.00 -4.35 12.58 -2.24 -1.23 -5.06 114.28 109.65 1sge n THR 143 Ca -0.43 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1sge n THR 143 Cb 0.77 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.43 1sge n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sge n GLY 156 N 1.28 1.04 3.68 3.38 0.00 -0.46 -4.82 105.19 109.29 1sge n GLY 156 Ca 0.12 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 1sge n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sge s THR 157 N 0.00 5.25 0.02 2.61 2.01 -1.26 -1.35 115.64 122.92 1sge s THR 157 Ca 0.00 0.57 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 1sge s THR 157 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1sge s THR 157 CO 0.00 0.29 -0.02 -1.00 -0.69 0.00 0.00 174.62 173.21 1sge s HIS 158 N 1.11 0.26 0.27 4.92 3.76 -0.12 -4.97 115.29 120.52 1sge s HIS 158 Ca 0.16 -0.54 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 1sge s HIS 158 Cb -0.14 -0.19 -0.06 0.00 1.11 0.00 0.00 32.58 33.30 1sge s HIS 158 CO 0.07 -0.21 -0.09 -1.12 -0.85 0.00 0.00 174.74 172.53 1sge s SER 159 N -1.58 2.87 0.00 1.40 0.01 -1.26 -0.09 113.70 115.05 1sge s SER 159 Ca -0.14 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1sge s SER 159 Cb -0.08 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1sge s SER 159 CO -0.02 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1sge n GLY 160 N -0.56 -0.74 3.28 3.44 0.00 -0.25 -4.69 105.19 105.67 1sge n GLY 160 Ca -0.06 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1sge n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sge s SER 161 N -4.00 0.13 -0.07 1.61 1.04 -1.26 -1.25 113.70 109.90 1sge s SER 161 Ca 0.00 -0.99 -0.28 0.00 0.48 0.00 0.00 55.95 55.16 1sge s SER 161 Cb 0.00 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1sge s SER 161 CO 0.00 -0.84 0.94 -0.69 0.98 0.00 0.00 173.24 173.63 1sge s VAL 162 N -4.00 4.86 -0.24 5.02 1.01 -0.46 -2.13 120.40 124.46 1sge s VAL 162 Ca 0.20 1.92 0.14 0.00 0.00 0.00 0.00 61.98 64.24 1sge s VAL 162 Cb 0.05 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 1sge s VAL 162 CO 0.01 0.10 0.40 0.35 0.00 0.00 0.00 175.10 175.96 1sge n THR 163 N 4.23 0.00 -3.54 3.92 -2.24 -0.26 -0.81 114.28 115.58 1sge n THR 163 Ca 0.06 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 1sge n THR 163 Cb 0.50 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1sge n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sge s ALA 164 N -2.72 -1.89 0.30 6.98 0.00 -1.17 -4.92 121.76 118.34 1sge s ALA 164 Ca -0.01 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.28 1sge s ALA 164 Cb 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1sge s ALA 164 CO 0.57 -0.58 -0.10 -0.51 0.00 0.00 0.00 175.76 175.15 1sge s LEU 165 N -2.09 2.60 -1.53 0.00 1.43 -1.26 -0.87 118.68 116.96 1sge s LEU 165 Ca 0.04 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 51.84 1sge s LEU 165 Cb -0.01 -0.84 0.09 0.00 0.03 0.00 0.00 46.19 45.46 1sge s LEU 165 CO -0.06 -0.23 0.94 -3.20 0.23 0.00 0.00 176.35 174.03 1sge n ASN 166 N -0.66 -4.37 -4.82 2.29 2.85 -0.83 -4.92 115.26 104.80 1sge n ASN 166 Ca -0.05 -0.81 -0.35 0.00 -0.11 0.00 0.00 54.58 53.26 1sge n ASN 166 Cb 0.63 -3.78 -0.06 0.00 1.24 0.00 0.00 39.78 37.81 1sge n ASN 166 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sge s ALA 167 N -3.34 3.31 -0.16 5.20 0.00 -0.05 -4.36 121.76 122.36 1sge s ALA 167 Ca 0.62 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 1sge s ALA 167 Cb -0.31 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1sge s ALA 167 CO 0.84 0.28 0.05 0.99 0.00 0.00 0.00 175.76 177.92 1sge s THR 168 N -1.78 4.66 -0.13 0.00 2.01 -1.26 -1.36 115.64 117.77 1sge s THR 168 Ca 0.50 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.44 1sge s THR 168 Cb -0.14 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1sge s THR 168 CO 0.19 0.50 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.72 1sge s VAL 169 N 0.07 1.92 -0.38 3.82 1.01 -0.35 -5.01 120.40 121.48 1sge s VAL 169 Ca 0.04 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1sge s VAL 169 Cb -0.12 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1sge s VAL 169 CO 0.01 0.52 0.18 0.21 0.00 0.00 0.00 175.10 176.03 1sge s ASN 170 N 0.80 5.45 0.00 3.32 3.84 -1.26 -0.48 114.94 126.61 1sge s ASN 170 Ca -0.08 -1.40 0.29 0.00 0.21 0.00 0.00 52.86 51.88 1sge s ASN 170 Cb -0.16 -1.92 1.39 0.00 -0.55 0.00 0.00 41.25 40.02 1sge s ASN 170 CO -0.01 -0.44 1.93 -1.22 -2.79 0.00 0.00 177.10 174.57 1sge n TYR 171 N 4.83 0.01 0.00 0.43 4.01 0.41 -5.01 117.16 121.85 1sge n TYR 171 Ca -0.10 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1sge n TYR 171 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 1sge n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sge n GLY 172 N 1.08 1.68 3.25 2.72 0.00 -1.23 -4.85 105.19 107.85 1sge n GLY 172 Ca 0.21 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 1sge n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sge n GLY 173 N 1.57 -0.48 1.39 -0.02 0.00 -1.26 -0.23 105.19 106.15 1sge n GLY 173 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1sge n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sge n GLY 174 N -1.09 0.75 3.45 -0.02 0.00 -1.26 -4.98 105.19 102.04 1sge n GLY 174 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1sge n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sge s ASP 175 N -2.60 6.73 -0.05 1.61 1.01 0.67 -4.90 116.67 119.13 1sge s ASP 175 Ca 0.00 -2.28 0.04 0.00 0.71 0.00 0.00 52.55 51.02 1sge s ASP 175 Cb 0.00 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1sge s ASP 175 CO 0.00 -0.97 -0.16 -0.69 0.21 0.00 0.00 175.17 173.55 1sge s VAL 176 N 2.33 2.87 0.03 -1.27 1.01 -1.26 -0.44 120.40 123.66 1sge s VAL 176 Ca 0.34 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1sge s VAL 176 Cb -0.05 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1sge s VAL 176 CO -0.07 0.58 -0.19 0.68 0.00 0.00 0.00 175.10 176.09 1sge s VAL 177 N -0.57 2.68 0.26 2.92 -7.23 0.37 0.02 120.40 118.85 1sge s VAL 177 Ca 0.08 -1.15 0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1sge s VAL 177 Cb -0.11 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1sge s VAL 177 CO 0.01 0.39 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.73 1sge s TYR 178 N -0.86 2.41 -0.45 2.82 2.02 -0.37 -1.21 117.35 121.71 1sge s TYR 178 Ca 0.13 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 1sge s TYR 178 Cb -0.10 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.39 1sge s TYR 178 CO 0.04 0.67 0.00 0.41 -1.57 0.00 0.00 175.55 175.09 1sge n GLY 179 N -0.58 0.71 3.83 0.71 0.00 -1.05 -4.81 105.19 103.99 1sge n GLY 179 Ca -0.06 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1sge n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sge s MET 180 N -2.28 4.15 -0.21 1.61 -1.94 -0.47 -4.41 119.30 115.75 1sge s MET 180 Ca 0.00 0.92 -0.22 0.00 -1.71 0.00 0.00 55.69 54.69 1sge s MET 180 Cb 0.00 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 1sge s MET 180 CO 0.00 0.08 0.68 0.42 -0.01 0.00 0.00 175.02 176.19 1sge s ILE 181 N -2.04 4.98 0.08 2.53 1.01 -0.20 -0.87 121.20 126.68 1sge s ILE 181 Ca 0.57 1.27 -0.08 0.00 0.00 0.00 0.00 60.65 62.42 1sge s ILE 181 Cb -0.10 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1sge s ILE 181 CO 0.16 0.06 0.37 -0.60 0.00 0.00 0.00 174.94 174.93 1sge s ARG 182 N 2.15 3.69 0.25 2.79 3.52 -0.05 -0.91 118.95 130.40 1sge s ARG 182 Ca 0.30 0.05 -0.08 0.00 -0.13 0.00 0.00 55.73 55.88 1sge s ARG 182 Cb -0.16 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1sge s ARG 182 CO 0.10 0.55 0.39 0.95 -0.81 0.00 0.00 175.30 176.48 1sge s THR 183 N -1.45 0.00 -0.28 4.11 -4.23 -0.26 -1.11 115.64 112.43 1sge s THR 183 Ca 0.34 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1sge s THR 183 Cb -0.13 -2.37 0.79 0.00 1.34 0.00 0.00 72.50 72.12 1sge s THR 183 CO 0.19 0.00 1.78 -0.46 -0.54 0.00 0.00 174.62 175.59 1sge n ASN 184 N -0.56 5.30 -4.78 3.99 0.23 -0.91 -2.61 115.26 115.92 1sge n ASN 184 Ca -0.00 -3.08 -0.39 0.00 -0.53 0.00 0.00 54.58 50.58 1sge n ASN 184 Cb 0.63 -0.71 -0.06 0.00 -2.08 0.00 0.00 39.78 37.56 1sge n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sge s VAL 190 N -2.89 4.66 0.73 3.53 1.01 -1.26 -4.60 120.40 121.59 1sge s VAL 190 Ca 0.55 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.91 1sge s VAL 190 Cb 0.43 -4.02 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1sge s VAL 190 CO 0.15 0.48 1.04 0.00 0.00 0.00 0.00 175.10 176.77 1sge s ALA 192 N -3.30 -1.82 0.17 0.00 0.00 -1.26 -4.92 121.76 110.64 1sge s ALA 192 Ca 0.62 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1sge s ALA 192 Cb -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1sge s ALA 192 CO 0.45 -0.46 0.06 -1.21 0.00 0.00 0.00 175.76 174.60 1sge s GLU 192 N -1.86 1.10 -0.01 0.00 2.02 -1.26 -4.60 118.70 114.09 1sge s GLU 192 Ca -0.03 -1.55 -0.36 0.00 0.02 0.00 0.00 54.97 53.05 1sge s GLU 192 Cb -0.00 0.03 -0.15 0.00 0.10 0.00 0.00 34.13 34.11 1sge s GLU 192 CO 0.00 -0.25 1.62 -2.30 0.02 0.00 0.00 175.26 174.35 1sge n PRO 192 N -0.22 1.66 0.00 0.39 -0.02 -1.26 -0.49 135.00 135.06 1sge n PRO 192 Ca -0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1sge n PRO 192 Cb 0.64 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1sge n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sge n GLY 193 N 3.57 1.91 0.08 -1.23 0.00 -1.26 -4.72 105.19 103.53 1sge n GLY 193 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1sge n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sge n ASP 194 N 0.00 0.59 -4.55 1.61 8.00 0.36 -3.36 116.55 119.19 1sge n ASP 194 Ca 0.00 0.56 -0.48 0.00 0.71 0.00 0.00 54.79 55.58 1sge n ASP 194 Cb 0.00 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 1sge n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sge n SER 195 N -2.05 0.93 0.00 -2.24 7.64 -1.26 -1.34 113.62 115.29 1sge n SER 195 Ca 0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1sge n SER 195 Cb 0.39 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1sge n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sge n GLY 196 N 1.79 1.24 3.74 0.23 0.00 -0.10 -0.67 105.19 111.43 1sge n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1sge n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sge s GLY 197 N -2.00 1.58 0.42 -0.02 0.00 -0.45 -2.18 107.32 104.67 1sge s GLY 197 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 1sge s GLY 197 CO 0.00 0.21 0.98 2.56 0.00 0.00 0.00 173.10 176.85 1sge s PRO 198 N -5.09 4.18 -0.17 2.90 0.04 -1.24 0.28 135.00 135.90 1sge s PRO 198 Ca 0.64 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1sge s PRO 198 Cb -0.17 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.07 1sge s PRO 198 CO 0.56 -0.09 -0.16 -1.17 0.04 0.00 0.00 177.00 176.18 1sge s LEU 199 N -3.00 2.37 0.25 -3.56 2.96 0.00 -2.22 118.68 115.49 1sge s LEU 199 Ca 0.61 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1sge s LEU 199 Cb -0.14 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1sge s LEU 199 CO 0.18 0.03 0.15 -0.72 -1.32 0.00 0.00 176.35 174.68 1sge s TYR 200 N 1.12 1.42 -0.33 5.38 1.13 -0.15 -0.48 117.35 125.44 1sge s TYR 200 Ca 0.01 -1.39 -0.01 0.00 -1.41 0.00 0.00 57.07 54.27 1sge s TYR 200 Cb -0.14 -0.71 0.11 0.00 -1.10 0.00 0.00 41.96 40.12 1sge s TYR 200 CO -0.06 -0.60 0.15 0.45 -2.51 0.00 0.00 175.55 172.98 1sge s SER 201 N -3.27 3.63 1.10 -0.18 0.15 -0.29 -0.46 113.70 114.38 1sge s SER 201 Ca 0.38 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 55.23 1sge s SER 201 Cb 0.06 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1sge s SER 201 CO 0.16 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1sge n GLY 202 N 4.60 1.54 1.33 9.45 0.00 -1.26 -2.27 105.19 118.58 1sge n GLY 202 Ca 0.01 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1sge n GLY 202 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sge n THR 207 N 0.00 1.37 -3.85 2.61 -2.24 -1.26 -4.89 114.28 106.01 1sge n THR 207 Ca 0.00 -0.95 -0.35 0.00 -2.27 0.00 0.00 64.05 60.48 1sge n THR 207 Cb 0.00 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1sge n THR 207 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sge s ARG 208 N -1.65 4.00 0.06 -0.78 0.52 -0.96 -0.35 118.95 119.79 1sge s ARG 208 Ca 0.43 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.02 1sge s ARG 208 Cb 0.26 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 1sge s ARG 208 CO 0.23 0.18 1.07 0.00 0.02 0.00 0.00 175.30 176.80 1sge s ALA 209 N 0.66 3.28 -0.04 2.13 0.00 0.94 -1.14 121.76 127.60 1sge s ALA 209 Ca 0.05 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1sge s ALA 209 Cb -0.13 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1sge s ALA 209 CO 0.01 -0.28 -0.05 -0.89 0.00 0.00 0.00 175.76 174.56 1sge n ILE 210 N 3.55 0.21 -3.87 0.00 2.08 0.37 -1.36 119.36 120.34 1sge n ILE 210 Ca 0.06 -0.06 -0.09 0.00 0.56 0.00 0.00 62.75 63.22 1sge n ILE 210 Cb 0.48 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.07 1sge n ILE 210 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1sge s GLY 211 N -4.88 0.46 -0.06 7.39 0.00 -0.39 -1.18 107.32 108.67 1sge s GLY 211 Ca -0.05 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.92 1sge s GLY 211 CO 0.07 -0.39 -0.19 1.08 0.00 0.00 0.00 173.10 173.67 1sge s LEU 212 N -3.06 1.94 0.20 0.66 1.43 -0.00 -0.82 118.68 119.03 1sge s LEU 212 Ca 0.17 -0.41 -0.32 0.00 -1.03 0.00 0.00 54.13 52.54 1sge s LEU 212 Cb -0.04 -1.11 -0.12 0.00 0.03 0.00 0.00 46.19 44.95 1sge s LEU 212 CO 0.12 0.16 1.71 -0.89 0.23 0.00 0.00 176.35 177.68 1sge s THR 213 N 0.11 2.11 -0.06 5.49 2.01 0.14 -0.89 115.64 124.56 1sge s THR 213 Ca -0.07 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 1sge s THR 213 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1sge s THR 213 CO 0.04 0.00 -0.15 -0.24 -0.69 0.00 0.00 174.62 173.59 1sge n SER 214 N 4.07 1.19 -3.98 3.53 2.88 -0.30 -0.92 113.62 120.09 1sge n SER 214 Ca 0.16 0.19 0.05 0.00 -1.33 0.00 0.00 58.87 57.93 1sge n SER 214 Cb 0.36 -0.44 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 1sge n SER 214 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1sge s GLY 215 N -4.73 -0.26 0.00 0.46 0.00 -0.99 -4.87 107.32 96.93 1sge s GLY 215 Ca -0.14 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1sge s GLY 215 CO 0.19 6.17 0.00 0.61 0.00 0.00 0.00 173.10 180.07 1sge n GLY 216 N -0.93 -0.70 3.25 0.20 0.00 -1.26 -0.39 105.19 105.36 1sge n GLY 216 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1sge n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sge s SER 217 N -4.00 0.14 0.10 1.61 1.04 -0.02 -5.01 113.70 107.55 1sge s SER 217 Ca 0.00 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1sge s SER 217 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1sge s SER 217 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1sge n GLY 218 N -0.24 -1.27 3.80 7.32 0.00 -1.26 -2.14 105.19 111.40 1sge n GLY 218 Ca -0.01 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 1sge n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sge s ASN 219 N -4.00 -0.17 0.50 1.61 2.20 -0.99 -4.84 114.94 109.26 1sge s ASN 219 Ca 0.00 -0.55 0.29 0.00 -0.94 0.00 0.00 52.86 51.67 1sge s ASN 219 Cb 0.00 0.58 1.22 0.00 -2.00 0.00 0.00 41.25 41.05 1sge s ASN 219 CO 0.00 -1.10 1.94 0.00 -2.94 0.00 0.00 177.10 175.00 1sge h SER 221 N 0.00 0.17 -0.02 0.00 0.87 -1.99 -3.34 113.55 109.23 1sge h SER 221 Ca -0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1sge h SER 221 Cb 0.58 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1sge h SER 221 CO 0.01 1.03 -0.31 -1.54 -0.53 0.00 0.00 176.83 175.49 1sge n SER 222 N -4.50 2.11 0.00 6.23 3.41 -1.22 -5.08 113.62 114.57 1sge n SER 222 Ca -0.10 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1sge n SER 222 Cb 0.53 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1sge n SER 222 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sge n GLY 223 N 1.29 2.29 1.56 5.00 0.00 0.11 -4.91 105.19 110.53 1sge n GLY 223 Ca 0.09 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.31 1sge n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sge n GLY 224 N 1.76 1.21 3.10 -0.02 0.00 -1.23 -2.33 105.19 107.68 1sge n GLY 224 Ca 0.00 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 1sge n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sge s THR 225 N -2.46 1.50 0.00 2.61 2.01 -0.91 -4.05 115.64 114.35 1sge s THR 225 Ca 0.08 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1sge s THR 225 Cb -0.01 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 1sge s THR 225 CO 0.03 0.44 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.32 1sge s THR 226 N 0.59 1.46 -0.07 -0.82 2.01 -1.07 -0.84 115.64 116.90 1sge s THR 226 Ca -0.15 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1sge s THR 226 Cb -0.16 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1sge s THR 226 CO 0.05 0.33 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.85 1sge s PHE 227 N -0.55 2.87 0.06 4.92 0.40 0.47 -1.10 117.98 125.05 1sge s PHE 227 Ca 0.07 -0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 1sge s PHE 227 Cb -0.07 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1sge s PHE 227 CO 0.00 0.24 -0.18 -0.06 0.70 0.00 0.00 175.22 175.92 1sge s PHE 228 N -0.65 1.53 0.01 0.36 0.40 -0.09 -1.15 117.98 118.40 1sge s PHE 228 Ca 0.10 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.75 1sge s PHE 228 Cb -0.11 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1sge s PHE 228 CO 0.01 0.09 0.96 -1.14 0.70 0.00 0.00 175.22 175.84 1sge s GLN 229 N -1.36 4.57 0.19 0.44 2.00 -0.07 -1.04 119.66 124.38 1sge s GLN 229 Ca 0.04 1.39 -0.32 0.00 -2.00 0.00 0.00 55.36 54.47 1sge s GLN 229 Cb -0.09 -3.45 -0.12 0.00 0.80 0.00 0.00 33.01 30.16 1sge s GLN 229 CO 0.02 -0.01 1.76 -2.14 -0.50 0.00 0.00 175.29 174.42 1sge s PRO 230 N 0.88 4.12 0.43 1.67 0.02 -1.26 -0.82 135.00 140.04 1sge s PRO 230 Ca 0.51 2.62 0.20 0.00 0.02 0.00 0.00 61.00 64.35 1sge s PRO 230 Cb -0.21 -3.22 0.97 0.00 0.02 0.00 0.00 34.50 32.05 1sge s PRO 230 CO 0.28 -0.79 1.88 -0.24 -0.33 0.00 0.00 177.00 177.80 1sge h VAL 231 N 4.05 0.87 -0.90 3.83 3.04 -1.45 -3.17 116.25 122.52 1sge h VAL 231 Ca -0.44 -1.08 0.01 0.00 -1.01 0.00 0.00 66.70 64.18 1sge h VAL 231 Cb 1.21 1.64 -0.05 0.00 -2.01 0.00 0.00 31.29 32.08 1sge h VAL 231 CO 0.96 0.27 0.60 0.71 -1.01 0.00 0.00 177.57 179.10 1sge h THR 232 N 0.00 1.23 -0.79 3.17 1.35 -1.87 -1.04 112.91 114.96 1sge h THR 232 Ca -0.00 -0.42 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 1sge h THR 232 Cb 0.62 -0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 66.91 1sge h THR 232 CO 0.04 0.22 0.34 -0.33 -0.25 0.00 0.00 175.52 175.54 1sge h GLU 233 N 1.22 1.16 -0.23 4.72 4.39 -1.95 -1.60 114.58 122.28 1sge h GLU 233 Ca 0.33 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 59.68 1sge h GLU 233 Cb -0.13 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.31 1sge h GLU 233 CO -0.07 0.92 -0.51 0.00 -1.16 0.00 0.00 179.01 178.18 1sge h ALA 234 N 1.23 0.66 -0.79 3.43 0.00 -1.31 -1.66 119.26 120.81 1sge h ALA 234 Ca 0.27 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1sge h ALA 234 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1sge h ALA 234 CO -0.03 0.68 0.37 -0.07 0.00 0.00 0.00 179.25 180.20 1sge h LEU 235 N 0.52 1.04 -0.09 0.00 3.38 -1.08 -2.12 115.31 116.96 1sge h LEU 235 Ca 0.02 -0.13 -0.24 0.00 0.09 0.00 0.00 57.88 57.62 1sge h LEU 235 Cb 1.07 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1sge h LEU 235 CO 0.10 0.89 -0.92 -1.28 0.09 0.00 0.00 178.44 177.32 1sge h SER 235 N 1.13 0.89 -0.43 -0.43 0.87 -1.23 -1.08 113.55 113.27 1sge h SER 235 Ca 0.27 -0.65 0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1sge h SER 235 Cb 0.13 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1sge h SER 235 CO -0.03 1.45 0.21 0.00 -0.53 0.00 0.00 176.83 177.92 1sge h ALA 236 N 0.51 0.54 -0.01 6.23 0.00 -1.08 -2.72 119.26 122.72 1sge h ALA 236 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sge h ALA 236 Cb 1.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1sge h ALA 236 CO 0.18 -0.16 -0.28 0.66 0.00 0.00 0.00 179.25 179.66 1sge n TYR 237 N -4.93 0.00 -2.37 0.00 4.01 -0.82 -4.95 117.16 108.11 1sge n TYR 237 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1sge n TYR 237 Cb 0.12 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1sge n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sge n GLY 238 N 1.35 -0.16 3.73 2.72 0.00 -0.51 -5.01 105.19 107.31 1sge n GLY 238 Ca 0.12 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1sge n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sge s VAL 239 N -2.73 2.01 0.05 1.61 -7.23 -0.60 -4.75 120.40 108.77 1sge s VAL 239 Ca 0.05 -1.79 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1sge s VAL 239 Cb -0.02 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1sge s VAL 239 CO 0.06 0.00 0.14 -0.94 -0.31 0.00 0.00 175.10 174.04 1sge s SER 240 N -3.89 0.15 0.75 4.85 1.04 -0.64 -4.60 113.70 111.36 1sge s SER 240 Ca 0.34 -0.56 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 1sge s SER 240 Cb 0.04 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1sge s SER 240 CO 0.19 -0.59 1.08 0.68 0.98 0.00 0.00 173.24 175.57 1sge s VAL 241 N -3.06 3.59 0.00 5.02 -7.23 -1.26 -0.38 120.40 117.08 1sge s VAL 241 Ca -0.01 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 1sge s VAL 241 Cb 0.01 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1sge s VAL 241 CO -0.07 -0.68 0.00 0.00 -0.31 0.00 0.00 175.10 174.05