#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds2 s SER 17 N 0.00 0.89 0.18 9.51 1.04 -1.26 -1.99 113.70 122.08 1ds2 s SER 17 Ca 0.00 -1.48 -0.33 0.00 0.48 0.00 0.00 55.95 54.61 1ds2 s SER 17 Cb 0.00 0.59 -0.14 0.00 0.10 0.00 0.00 66.02 66.57 1ds2 s SER 17 CO 0.00 -1.16 1.50 0.61 0.98 0.00 0.00 173.24 175.17 1ds2 n GLY 18 N -0.52 0.95 0.08 7.32 0.00 -0.17 -2.00 105.19 110.86 1ds2 n GLY 18 Ca 0.02 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1ds2 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ds2 n GLY 19 N 2.90 3.42 3.76 -0.02 0.00 0.73 -2.46 105.19 113.51 1ds2 n GLY 19 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1ds2 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ds2 s ASP 29 N -1.02 4.84 0.43 1.61 1.01 -0.84 -2.37 116.67 120.32 1ds2 s ASP 29 Ca 0.00 2.10 -0.24 0.00 0.71 0.00 0.00 52.55 55.12 1ds2 s ASP 29 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1ds2 s ASP 29 CO 0.00 -1.81 1.15 0.00 0.21 0.00 0.00 175.17 174.72 1ds2 s ALA 30 N -2.24 3.07 -0.00 5.23 0.00 -1.26 -0.69 121.76 125.87 1ds2 s ALA 30 Ca 0.69 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1ds2 s ALA 30 Cb -0.23 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 1ds2 s ALA 30 CO 0.42 -0.54 -0.05 0.96 0.00 0.00 0.00 175.76 176.55 1ds2 s ILE 31 N -1.50 0.36 -0.05 0.00 -4.36 -0.25 -4.79 121.20 110.61 1ds2 s ILE 31 Ca 0.60 -0.19 0.06 0.00 -0.26 0.00 0.00 60.65 60.86 1ds2 s ILE 31 Cb -0.29 -0.31 -0.01 0.00 1.25 0.00 0.00 42.46 43.10 1ds2 s ILE 31 CO 0.35 0.10 -0.25 -0.31 0.24 0.00 0.00 174.94 175.08 1ds2 s TYR 32 N -0.09 2.42 0.02 1.37 1.51 0.04 -0.74 117.35 121.88 1ds2 s TYR 32 Ca 0.02 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 1ds2 s TYR 32 Cb -0.02 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1ds2 s TYR 32 CO -0.00 -0.17 0.01 -1.13 -1.11 0.00 0.00 175.55 173.15 1ds2 n SER 33 N 2.83 1.28 0.21 2.29 3.41 -0.63 -0.20 113.62 122.81 1ds2 n SER 33 Ca -0.17 -1.08 0.09 0.00 -0.26 0.00 0.00 58.87 57.45 1ds2 n SER 33 Cb 0.52 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.82 1ds2 n SER 33 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ds2 h SER 34 N 0.03 0.00 0.10 4.04 4.64 -1.95 -3.32 113.55 117.08 1ds2 h SER 34 Ca -0.01 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.99 1ds2 h SER 34 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1ds2 h SER 34 CO 0.02 0.24 -1.67 0.71 -0.87 0.00 0.00 176.83 175.26 1ds2 h THR 39 N 0.00 0.81 -0.18 2.95 1.35 -1.94 -3.51 112.91 112.39 1ds2 h THR 39 Ca -0.00 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1ds2 h THR 39 Cb 0.89 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1ds2 h THR 39 CO 0.03 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1ds2 n GLY 40 N 1.80 1.80 3.27 5.82 0.00 -1.25 -5.16 105.19 111.47 1ds2 n GLY 40 Ca -0.30 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1ds2 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ds2 s ARG 41 N 1.55 2.19 0.00 1.61 3.52 -1.26 -1.61 118.95 124.95 1ds2 s ARG 41 Ca 0.00 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 1ds2 s ARG 41 Cb 0.00 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.39 1ds2 s ARG 41 CO 0.00 0.46 0.00 0.00 -0.81 0.00 0.00 175.30 174.95 1ds2 s SER 43 N -0.59 2.78 0.16 0.00 0.01 0.47 -1.09 113.70 115.44 1ds2 s SER 43 Ca 0.00 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 1ds2 s SER 43 Cb 0.00 -0.18 -0.07 0.00 0.21 0.00 0.00 66.02 65.98 1ds2 s SER 43 CO 0.00 0.11 1.14 -0.22 0.41 0.00 0.00 173.24 174.69 1ds2 s LEU 44 N -1.83 4.46 0.00 2.44 0.20 0.14 -3.74 118.68 120.34 1ds2 s LEU 44 Ca 0.09 2.11 0.00 0.00 0.69 0.00 0.00 54.13 57.02 1ds2 s LEU 44 Cb -0.10 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 1ds2 s LEU 44 CO 0.04 -0.31 0.00 0.61 -0.29 0.00 0.00 176.35 176.41 1ds2 n GLY 45 N 2.28 1.45 3.00 7.98 0.00 0.12 -0.19 105.19 119.82 1ds2 n GLY 45 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1ds2 n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ds2 s PHE 46 N -0.04 0.38 -0.07 1.61 0.08 -1.19 -3.94 117.98 114.81 1ds2 s PHE 46 Ca 0.00 -0.51 -0.24 0.00 0.12 0.00 0.00 56.93 56.31 1ds2 s PHE 46 Cb 0.00 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.17 1ds2 s PHE 46 CO 0.00 -0.15 0.72 -0.80 -0.10 0.00 0.00 175.22 174.88 1ds2 s ASN 47 N -1.45 7.00 0.25 1.36 0.01 -1.26 -0.95 114.94 119.89 1ds2 s ASN 47 Ca -0.14 1.21 0.01 0.00 -0.71 0.00 0.00 52.86 53.23 1ds2 s ASN 47 Cb -0.10 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 1ds2 s ASN 47 CO -0.01 -0.14 0.08 0.68 -1.51 0.00 0.00 177.10 176.21 1ds2 s VAL 48 N 0.88 0.59 0.12 1.60 -7.23 -0.44 -4.25 120.40 111.67 1ds2 s VAL 48 Ca 0.38 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 1ds2 s VAL 48 Cb -0.18 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.21 1ds2 s VAL 48 CO 0.18 -0.07 0.31 0.00 -0.31 0.00 0.00 175.10 175.21 1ds2 s ARG 48 N -4.01 1.00 -0.18 4.82 1.70 -0.62 -1.21 118.95 120.44 1ds2 s ARG 48 Ca 0.36 -0.87 -0.05 0.00 -0.47 0.00 0.00 55.73 54.70 1ds2 s ARG 48 Cb 0.08 0.41 0.07 0.00 -0.57 0.00 0.00 34.95 34.93 1ds2 s ARG 48 CO 0.12 -0.36 0.11 0.45 -1.08 0.00 0.00 175.30 174.54 1ds2 s SER 48 N -2.85 2.34 1.69 -2.89 0.15 -0.02 -1.92 113.70 110.20 1ds2 s SER 48 Ca 0.06 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1ds2 s SER 48 Cb 0.03 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1ds2 s SER 48 CO -0.10 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1ds2 n GLY 48 N 5.28 3.49 0.85 9.45 0.00 -1.26 -0.95 105.19 122.05 1ds2 n GLY 48 Ca -0.07 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1ds2 n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ds2 n SER 48 N 9.26 3.32 -4.68 1.61 3.41 -1.26 -4.94 113.62 120.35 1ds2 n SER 48 Ca 0.00 -2.12 -0.37 0.00 -0.26 0.00 0.00 58.87 56.12 1ds2 n SER 48 Cb 0.00 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 1ds2 n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ds2 s THR 49 N -1.22 5.30 -0.11 6.66 2.01 -0.13 -5.07 115.64 123.08 1ds2 s THR 49 Ca 0.31 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 1ds2 s THR 49 Cb 0.18 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1ds2 s THR 49 CO 0.19 0.32 0.08 -0.31 -0.69 0.00 0.00 174.62 174.21 1ds2 s TYR 50 N 1.04 3.39 0.33 4.92 1.51 -1.26 -0.84 117.35 126.44 1ds2 s TYR 50 Ca 0.12 0.37 0.07 0.00 -1.01 0.00 0.00 57.07 56.62 1ds2 s TYR 50 Cb -0.14 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1ds2 s TYR 50 CO 0.05 0.60 0.30 0.66 -1.11 0.00 0.00 175.55 176.05 1ds2 n TYR 51 N 2.12 -0.86 -3.89 2.71 4.02 -0.35 -1.73 117.16 119.19 1ds2 n TYR 51 Ca -0.19 -2.78 -0.11 0.00 -0.01 0.00 0.00 57.90 54.80 1ds2 n TYR 51 Cb 0.54 0.32 -0.12 0.00 -0.02 0.00 0.00 39.34 40.06 1ds2 n TYR 51 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1ds2 s PHE 52 N -3.32 0.03 0.16 -0.72 -0.12 -0.54 -1.33 117.98 112.15 1ds2 s PHE 52 Ca 0.39 -0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 57.17 1ds2 s PHE 52 Cb 0.02 -0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 1ds2 s PHE 52 CO 0.28 -0.13 0.38 -0.51 -0.05 0.00 0.00 175.22 175.19 1ds2 s LEU 53 N -0.65 4.25 0.00 -1.99 1.43 -0.13 -1.34 118.68 120.25 1ds2 s LEU 53 Ca -0.07 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1ds2 s LEU 53 Cb -0.04 -3.28 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1ds2 s LEU 53 CO 0.00 0.02 0.26 1.07 0.23 0.00 0.00 176.35 177.93 1ds2 n THR 54 N -0.13 0.00 -2.39 5.49 5.66 -0.69 0.12 114.28 122.34 1ds2 n THR 54 Ca -0.03 -0.41 -0.36 0.00 -3.05 0.00 0.00 64.05 60.19 1ds2 n THR 54 Cb 0.52 0.36 -0.02 0.00 -1.55 0.00 0.00 70.33 69.64 1ds2 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ds2 s ALA 55 N -1.51 3.00 0.23 1.79 0.00 -1.26 -1.01 121.76 122.99 1ds2 s ALA 55 Ca 0.07 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 1ds2 s ALA 55 Cb -0.01 -3.33 0.26 0.00 0.00 0.00 0.00 23.12 20.03 1ds2 s ALA 55 CO 0.05 -0.47 1.66 0.78 0.00 0.00 0.00 175.76 177.78 1ds2 h GLY 56 N 2.14 0.74 2.00 0.00 0.00 -1.61 -2.07 103.07 104.26 1ds2 h GLY 56 Ca -0.49 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1ds2 h GLY 56 CO 0.61 0.57 0.00 1.12 0.00 0.00 0.00 176.54 178.83 1ds2 h HIS 57 N 0.60 0.00 0.11 5.60 2.07 -1.87 0.28 115.15 121.93 1ds2 h HIS 57 Ca 0.08 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.26 1ds2 h HIS 57 Cb 0.71 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.67 1ds2 h HIS 57 CO 0.03 0.00 -1.84 0.00 -3.07 0.00 0.00 177.93 173.05 1ds2 h THR 59 N 0.06 0.29 -2.16 0.00 1.35 -0.87 -3.41 112.91 108.17 1ds2 h THR 59 Ca -0.36 -1.32 -0.56 0.00 -0.55 0.00 0.00 66.41 63.62 1ds2 h THR 59 Cb 2.04 2.06 0.01 0.00 -1.73 0.00 0.00 68.15 70.53 1ds2 h THR 59 CO 0.11 0.16 1.36 -0.67 -0.25 0.00 0.00 175.52 176.23 1ds2 n ASP 60 N -3.16 3.72 -0.04 5.36 2.03 0.04 -1.55 116.55 122.96 1ds2 n ASP 60 Ca 0.03 0.57 -0.00 0.00 0.52 0.00 0.00 54.79 55.90 1ds2 n ASP 60 Cb 0.56 -1.54 -0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1ds2 n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ds2 n GLY 62 N 5.14 0.43 3.67 0.27 0.00 -1.26 -5.01 105.19 108.43 1ds2 n GLY 62 Ca 0.25 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1ds2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ds2 s ALA 63 N -1.83 3.24 0.01 4.61 0.00 -0.59 -5.00 121.76 122.20 1ds2 s ALA 63 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1ds2 s ALA 63 Cb 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1ds2 s ALA 63 CO 0.00 0.63 -0.10 0.25 0.00 0.00 0.00 175.76 176.55 1ds2 n THR 64 N 1.56 1.18 -3.90 0.00 -2.24 -1.26 -4.60 114.28 105.02 1ds2 n THR 64 Ca -0.15 0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.60 1ds2 n THR 64 Cb 0.53 -1.75 -0.05 0.00 -2.10 0.00 0.00 70.33 66.96 1ds2 n THR 64 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ds2 s THR 65 N -2.14 5.43 -0.04 4.28 2.01 -1.26 -0.94 115.64 122.98 1ds2 s THR 65 Ca -0.08 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1ds2 s THR 65 Cb 0.01 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 1ds2 s THR 65 CO 0.12 0.31 -0.20 0.26 -0.69 0.00 0.00 174.62 174.42 1ds2 s TRP 66 N -1.34 1.92 0.22 4.92 0.52 -0.36 -4.29 118.94 120.52 1ds2 s TRP 66 Ca 0.28 -0.53 0.11 0.00 0.02 0.00 0.00 56.10 55.99 1ds2 s TRP 66 Cb -0.13 -1.27 -0.05 0.00 -1.15 0.00 0.00 33.47 30.88 1ds2 s TRP 66 CO 0.20 -0.16 -0.22 -1.58 0.02 0.00 0.00 176.95 175.21 1ds2 s TRP 67 N -0.10 2.25 -0.86 -1.98 0.51 0.72 -0.18 118.94 119.30 1ds2 s TRP 67 Ca -0.02 -0.36 0.26 0.00 -2.12 0.00 0.00 56.10 53.86 1ds2 s TRP 67 Cb -0.11 -1.07 0.65 0.00 -0.81 0.00 0.00 33.47 32.13 1ds2 s TRP 67 CO 0.02 0.55 1.54 0.00 -0.51 0.00 0.00 176.95 178.55 1ds2 n ALA 68 N -0.00 2.95 -2.27 0.98 0.00 0.68 -0.78 120.51 122.07 1ds2 n ALA 68 Ca -0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1ds2 n ALA 68 Cb 0.57 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 1ds2 n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ds2 s ASN 78 N -3.54 0.69 0.53 0.00 4.22 -1.26 -4.82 114.94 110.76 1ds2 s ASN 78 Ca 0.10 -0.91 0.23 0.00 -2.14 0.00 0.00 52.86 50.14 1ds2 s ASN 78 Cb 0.16 0.14 1.44 0.00 1.28 0.00 0.00 41.25 44.28 1ds2 s ASN 78 CO 0.66 -0.50 2.13 0.77 -2.04 0.00 0.00 177.10 178.12 1ds2 h SER 79 N 3.35 0.00 1.14 3.54 4.64 -1.98 -1.17 113.55 123.08 1ds2 h SER 79 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1ds2 h SER 79 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ds2 h SER 79 CO 0.61 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 1ds2 h ALA 80 N 1.93 1.00 -5.13 5.18 0.00 -2.00 -3.47 119.26 116.77 1ds2 h ALA 80 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1ds2 h ALA 80 Cb 0.16 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.07 1ds2 h ALA 80 CO 0.01 0.00 -0.59 0.54 0.00 0.00 0.00 179.25 179.21 1ds2 n ARG 81 N -2.38 -6.60 -0.00 0.00 3.00 -0.44 -4.90 116.66 105.33 1ds2 n ARG 81 Ca 0.03 0.71 0.06 0.00 -0.01 0.00 0.00 57.85 58.65 1ds2 n ARG 81 Cb 0.34 -5.39 -0.08 0.00 0.00 0.00 0.00 32.46 27.33 1ds2 n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1ds2 n THR 82 N -4.46 0.00 -3.92 0.55 -2.24 -1.26 -4.84 114.28 98.10 1ds2 n THR 82 Ca -0.04 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 1ds2 n THR 82 Cb 0.57 0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 69.31 1ds2 n THR 82 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ds2 s THR 83 N -2.46 2.83 0.31 4.28 2.01 -1.26 -5.06 115.64 116.28 1ds2 s THR 83 Ca 0.01 -1.64 -0.26 0.00 0.31 0.00 0.00 61.69 60.11 1ds2 s THR 83 Cb 0.09 -2.73 -0.10 0.00 0.01 0.00 0.00 72.50 69.76 1ds2 s THR 83 CO 0.51 -0.24 0.92 -0.69 -0.69 0.00 0.00 174.62 174.43 1ds2 s VAL 84 N 1.17 4.24 -0.14 3.82 1.01 -1.26 -0.23 120.40 129.01 1ds2 s VAL 84 Ca -0.02 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.62 1ds2 s VAL 84 Cb -0.20 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1ds2 s VAL 84 CO -0.03 0.16 -0.27 0.18 0.00 0.00 0.00 175.10 175.14 1ds2 n LEU 85 N 0.61 1.71 0.00 3.92 4.77 0.75 -4.46 117.00 124.31 1ds2 n LEU 85 Ca 0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1ds2 n LEU 85 Cb 0.50 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1ds2 n LEU 85 CO 0.44 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1ds2 n GLY 86 N 1.87 -0.62 3.21 -0.72 0.00 -1.18 -0.72 105.19 107.03 1ds2 n GLY 86 Ca -0.17 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1ds2 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ds2 s THR 87 N -3.00 1.42 0.09 2.61 2.01 -0.42 -1.22 115.64 117.13 1ds2 s THR 87 Ca 0.00 -1.24 -0.33 0.00 0.31 0.00 0.00 61.69 60.43 1ds2 s THR 87 Cb 0.00 -1.28 -0.12 0.00 0.01 0.00 0.00 72.50 71.11 1ds2 s THR 87 CO 0.00 0.01 1.74 0.41 -0.69 0.00 0.00 174.62 176.09 1ds2 n THR 88 N 1.58 0.26 0.17 -0.82 -1.04 -0.11 -0.25 114.28 114.07 1ds2 n THR 88 Ca -0.19 -0.05 0.06 0.00 -2.04 0.00 0.00 64.05 61.84 1ds2 n THR 88 Cb 0.54 -1.83 -0.09 0.00 -1.82 0.00 0.00 70.33 67.12 1ds2 n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ds2 n SER 89 N 4.94 1.59 -3.55 8.00 7.64 0.11 -4.83 113.62 127.52 1ds2 n SER 89 Ca 0.19 -0.23 -0.12 0.00 1.01 0.00 0.00 58.87 59.72 1ds2 n SER 89 Cb 0.32 1.43 -0.05 0.00 -1.01 0.00 0.00 64.21 64.91 1ds2 n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ds2 s GLY 90 N -3.15 -0.36 -0.20 0.23 0.00 -1.05 -4.96 107.32 97.82 1ds2 s GLY 90 Ca -0.02 1.72 -0.10 0.00 0.00 0.00 0.00 44.72 46.31 1ds2 s GLY 90 CO 0.54 0.90 0.48 -0.45 0.00 0.00 0.00 173.10 174.58 1ds2 s SER 91 N -1.35 -0.60 -0.32 1.64 0.15 -1.26 -1.26 113.70 110.69 1ds2 s SER 91 Ca -0.02 1.08 -0.00 0.00 0.70 0.00 0.00 55.95 57.70 1ds2 s SER 91 Cb -0.00 1.06 0.10 0.00 -1.71 0.00 0.00 66.02 65.47 1ds2 s SER 91 CO 0.01 -0.21 0.10 -0.55 1.20 0.00 0.00 173.24 173.80 1ds2 s SER 93 N 1.70 4.06 -0.28 5.45 0.15 0.71 -5.00 113.70 120.48 1ds2 s SER 93 Ca -0.08 -1.72 -0.23 0.00 0.70 0.00 0.00 55.95 54.62 1ds2 s SER 93 Cb -0.08 -0.92 0.13 0.00 -1.71 0.00 0.00 66.02 63.44 1ds2 s SER 93 CO -0.15 -0.41 1.05 0.12 1.20 0.00 0.00 173.24 175.06 1ds2 s PHE 94 N 1.51 -0.46 0.00 3.44 5.36 -1.26 -1.91 117.98 124.66 1ds2 s PHE 94 Ca 0.10 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 1ds2 s PHE 94 Cb -0.18 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 1ds2 s PHE 94 CO -0.23 -0.23 0.00 -0.35 -1.46 0.00 0.00 175.22 172.96 1ds2 n PRO 99 N 2.49 2.46 0.00 10.12 -0.04 -1.26 -4.96 135.00 143.81 1ds2 n PRO 99 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1ds2 n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1ds2 n PRO 99 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ds2 n ASN 100 N 0.00 0.00 -3.46 3.54 4.05 0.13 -4.72 115.26 114.80 1ds2 n ASN 100 Ca 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.88 1ds2 n ASN 100 Cb 0.00 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.00 1ds2 n ASN 100 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1ds2 n ASN 101 N 3.49 2.14 -2.97 1.20 3.02 -1.26 -1.08 115.26 119.80 1ds2 n ASN 101 Ca 0.00 -2.04 -0.15 0.00 -0.03 0.00 0.00 54.58 52.36 1ds2 n ASN 101 Cb 0.00 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1ds2 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ds2 n ASP 102 N -1.71 -1.54 -3.82 6.41 -0.08 -1.12 -4.05 116.55 110.65 1ds2 n ASP 102 Ca -0.04 -2.97 -0.10 0.00 -1.51 0.00 0.00 54.79 50.17 1ds2 n ASP 102 Cb 0.33 0.67 -0.08 0.00 2.34 0.00 0.00 41.12 44.39 1ds2 n ASP 102 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1ds2 s TYR 103 N -0.10 0.04 0.13 -0.67 -0.85 -0.80 -3.59 117.35 111.52 1ds2 s TYR 103 Ca 0.33 -0.32 -0.17 0.00 -0.52 0.00 0.00 57.07 56.40 1ds2 s TYR 103 Cb 0.18 -0.00 0.04 0.00 0.38 0.00 0.00 41.96 42.55 1ds2 s TYR 103 CO -0.18 -0.49 0.42 0.20 -1.52 0.00 0.00 175.55 173.99 1ds2 s GLY 104 N -2.35 -0.28 0.01 5.49 0.00 -0.18 -0.21 107.32 109.80 1ds2 s GLY 104 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.69 1ds2 s GLY 104 CO -0.06 -0.27 -0.05 -1.50 0.00 0.00 0.00 173.10 171.21 1ds2 s ILE 105 N -3.81 0.38 -0.08 0.90 2.07 -0.39 -1.71 121.20 118.56 1ds2 s ILE 105 Ca 0.03 -0.46 0.03 0.00 -1.41 0.00 0.00 60.65 58.84 1ds2 s ILE 105 Cb 0.01 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.24 1ds2 s ILE 105 CO -0.11 -0.07 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.01 1ds2 s VAL 106 N -0.52 1.42 -0.09 4.00 1.01 -0.45 -0.71 120.40 125.06 1ds2 s VAL 106 Ca -0.02 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 1ds2 s VAL 106 Cb -0.04 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1ds2 s VAL 106 CO -0.00 0.42 0.70 -0.60 0.00 0.00 0.00 175.10 175.62 1ds2 s ARG 107 N 0.63 4.40 0.14 2.72 3.52 0.65 -1.46 118.95 129.56 1ds2 s ARG 107 Ca -0.14 0.86 -0.31 0.00 -0.13 0.00 0.00 55.73 56.01 1ds2 s ARG 107 Cb -0.16 -3.47 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 1ds2 s ARG 107 CO 0.04 0.00 1.37 0.71 -0.81 0.00 0.00 175.30 176.62 1ds2 s TYR 108 N 1.02 3.24 -0.04 5.12 2.02 -0.71 -1.30 117.35 126.70 1ds2 s TYR 108 Ca 0.37 1.02 0.03 0.00 -0.37 0.00 0.00 57.07 58.12 1ds2 s TYR 108 Cb -0.17 -3.67 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 1ds2 s TYR 108 CO 0.17 -2.29 0.09 0.25 -1.57 0.00 0.00 175.55 172.20 1ds2 n THR 109 N 3.56 0.00 -2.58 -0.71 -2.24 0.10 -4.88 114.28 107.53 1ds2 n THR 109 Ca 0.10 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 1ds2 n THR 109 Cb 0.42 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 1ds2 n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ds2 s ASN 110 N -2.14 6.86 0.14 3.42 3.84 -0.62 -4.92 114.94 121.52 1ds2 s ASN 110 Ca -0.01 1.10 0.25 0.00 0.21 0.00 0.00 52.86 54.41 1ds2 s ASN 110 Cb 0.02 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.66 1ds2 s ASN 110 CO 0.14 -0.93 1.44 0.35 -2.79 0.00 0.00 177.10 175.31 1ds2 n THR 111 N 5.96 0.40 -0.06 -5.21 -2.24 -1.26 -4.30 114.28 107.57 1ds2 n THR 111 Ca 0.13 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1ds2 n THR 111 Cb 0.47 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.32 1ds2 n THR 111 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ds2 n THR 112 N -2.13 0.81 -1.82 4.28 -2.24 -1.26 -4.98 114.28 106.94 1ds2 n THR 112 Ca 0.04 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 1ds2 n THR 112 Cb 0.43 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1ds2 n THR 112 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1ds2 s ILE 113 N -2.70 2.22 0.26 2.28 2.07 -1.26 -4.93 121.20 119.14 1ds2 s ILE 113 Ca -0.08 0.17 -0.30 0.00 -1.41 0.00 0.00 60.65 59.03 1ds2 s ILE 113 Cb 0.07 -3.11 -0.10 0.00 0.13 0.00 0.00 42.46 39.45 1ds2 s ILE 113 CO 0.73 0.02 1.49 -2.84 -1.91 0.00 0.00 174.94 172.44 1ds2 s PRO 114 N 0.25 4.22 -0.75 3.50 0.02 -1.26 -4.87 135.00 136.11 1ds2 s PRO 114 Ca 0.67 2.40 0.03 0.00 0.02 0.00 0.00 61.00 64.13 1ds2 s PRO 114 Cb -0.47 -3.08 0.21 0.00 0.02 0.00 0.00 34.50 31.18 1ds2 s PRO 114 CO 0.40 -0.50 0.66 1.63 -0.33 0.00 0.00 177.00 178.86 1ds2 n LYS 115 N 2.28 2.28 -2.09 5.54 5.02 -1.26 0.59 118.16 130.53 1ds2 n LYS 115 Ca 0.07 -4.54 -0.42 0.00 -2.02 0.00 0.00 58.31 51.41 1ds2 n LYS 115 Cb 0.39 -2.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 1ds2 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ds2 s ASP 116 N -1.46 6.74 -0.50 4.39 1.01 -0.84 -4.90 116.67 121.12 1ds2 s ASP 116 Ca 0.29 2.50 -0.06 0.00 0.71 0.00 0.00 52.55 56.00 1ds2 s ASP 116 Cb 0.00 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.19 1ds2 s ASP 116 CO -0.11 -0.67 3.24 0.61 0.21 0.00 0.00 175.17 178.45 1ds2 n GLY 117 N 2.88 3.67 3.32 0.21 0.00 -1.26 -4.57 105.19 109.44 1ds2 n GLY 117 Ca 0.09 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 1ds2 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ds2 s THR 118 N 0.42 0.00 -0.34 2.61 -4.23 -1.26 -2.44 115.64 110.40 1ds2 s THR 118 Ca 0.65 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1ds2 s THR 118 Cb 0.30 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.72 1ds2 s THR 118 CO -0.06 0.00 0.06 -0.69 -0.54 0.00 0.00 174.62 173.39 1ds2 s VAL 119 N -3.58 2.19 0.00 2.29 1.01 0.46 -1.00 120.40 121.77 1ds2 s VAL 119 Ca 0.37 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1ds2 s VAL 119 Cb 0.03 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1ds2 s VAL 119 CO 0.21 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.31 1ds2 n GLY 120 N 4.25 2.79 0.55 4.51 0.00 -1.03 -0.69 105.19 115.57 1ds2 n GLY 120 Ca 0.04 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1ds2 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ds2 n GLY 121 N 0.00 0.11 3.63 -0.02 0.00 -1.26 -4.87 105.19 102.78 1ds2 n GLY 121 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1ds2 n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ds2 s GLN 122 N -2.17 3.92 0.42 1.61 2.00 0.13 -5.00 119.66 120.58 1ds2 s GLN 122 Ca 0.30 0.97 -0.25 0.00 -2.00 0.00 0.00 55.36 54.38 1ds2 s GLN 122 Cb 0.20 -3.83 -0.08 0.00 0.80 0.00 0.00 33.01 30.10 1ds2 s GLN 122 CO 0.40 -1.10 1.29 0.34 -0.50 0.00 0.00 175.29 175.71 1ds2 s ASP 123 N 2.22 6.22 -0.11 6.67 2.15 -1.26 -0.40 116.67 132.15 1ds2 s ASP 123 Ca 0.49 2.61 0.03 0.00 0.43 0.00 0.00 52.55 56.12 1ds2 s ASP 123 Cb -0.12 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1ds2 s ASP 123 CO 0.22 -0.91 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.45 1ds2 s ILE 124 N -1.30 2.02 0.00 4.11 -1.09 -1.02 -4.36 121.20 119.56 1ds2 s ILE 124 Ca 0.59 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1ds2 s ILE 124 Cb -0.37 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1ds2 s ILE 124 CO 0.47 0.55 0.03 0.35 -1.23 0.00 0.00 174.94 175.11 1ds2 n THR 125 N 3.69 0.00 -3.84 2.92 -2.24 0.22 -4.56 114.28 110.48 1ds2 n THR 125 Ca -0.19 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 1ds2 n THR 125 Cb 0.53 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.77 1ds2 n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ds2 s SER 126 N -0.83 -0.04 0.19 3.42 1.04 -1.18 -4.89 113.70 111.41 1ds2 s SER 126 Ca 0.00 -0.67 0.10 0.00 0.48 0.00 0.00 55.95 55.86 1ds2 s SER 126 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1ds2 s SER 126 CO 0.00 -1.07 -0.19 0.00 0.98 0.00 0.00 173.24 172.96 1ds2 s ALA 127 N -2.50 2.24 0.22 5.32 0.00 -1.26 -0.35 121.76 125.43 1ds2 s ALA 127 Ca 0.18 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.37 1ds2 s ALA 127 Cb -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1ds2 s ALA 127 CO 0.05 0.27 0.56 0.00 0.00 0.00 0.00 175.76 176.63 1ds2 s ALA 128 N -2.14 -0.86 0.12 0.00 0.00 -0.63 -4.84 121.76 113.41 1ds2 s ALA 128 Ca 0.20 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 1ds2 s ALA 128 Cb -0.06 0.90 -0.07 0.00 0.00 0.00 0.00 23.12 23.90 1ds2 s ALA 128 CO 0.09 -0.86 0.56 -0.80 0.00 0.00 0.00 175.76 174.74 1ds2 s ASN 129 N -2.91 6.92 0.53 0.00 -0.87 -1.26 -4.53 114.94 112.81 1ds2 s ASN 129 Ca 0.12 1.15 -0.19 0.00 -1.57 0.00 0.00 52.86 52.38 1ds2 s ASN 129 Cb -0.02 -2.32 -0.07 0.00 -0.02 0.00 0.00 41.25 38.83 1ds2 s ASN 129 CO 0.02 0.17 1.06 0.00 -2.57 0.00 0.00 177.10 175.78 1ds2 s ALA 130 N -1.32 2.80 0.06 0.60 0.00 -1.26 -5.06 121.76 117.57 1ds2 s ALA 130 Ca 0.34 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1ds2 s ALA 130 Cb -0.17 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1ds2 s ALA 130 CO 0.19 -0.54 -0.09 0.95 0.00 0.00 0.00 175.76 176.26 1ds2 s THR 131 N -2.07 0.70 0.23 0.00 -4.23 -1.26 -5.08 115.64 103.93 1ds2 s THR 131 Ca 0.67 -1.24 -0.31 0.00 -1.18 0.00 0.00 61.69 59.64 1ds2 s THR 131 Cb -0.18 -0.84 -0.11 0.00 1.34 0.00 0.00 72.50 72.71 1ds2 s THR 131 CO 0.26 -0.40 1.60 -0.69 -0.54 0.00 0.00 174.62 174.85 1ds2 s VAL 132 N -1.61 2.28 0.00 2.29 1.01 -1.26 -1.83 120.40 121.28 1ds2 s VAL 132 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1ds2 s VAL 132 Cb -0.08 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1ds2 s VAL 132 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1ds2 n GLY 133 N 3.10 0.92 3.76 4.51 0.00 -0.10 -5.00 105.19 112.37 1ds2 n GLY 133 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1ds2 n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ds2 s MET 134 N -0.50 4.47 -0.19 1.61 0.00 -0.76 -4.75 119.30 119.18 1ds2 s MET 134 Ca 0.00 2.02 -0.24 0.00 0.00 0.00 0.00 55.69 57.47 1ds2 s MET 134 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 34.83 31.67 1ds2 s MET 134 CO 0.00 -0.06 0.78 0.00 0.00 0.00 0.00 175.02 175.74 1ds2 s ALA 135 N -0.80 3.55 0.27 4.11 0.00 -1.26 -1.10 121.76 126.53 1ds2 s ALA 135 Ca 0.49 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1ds2 s ALA 135 Cb -0.36 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1ds2 s ALA 135 CO 0.45 -0.69 -0.03 0.14 0.00 0.00 0.00 175.76 175.63 1ds2 s VAL 136 N 2.25 1.39 -0.00 0.00 -7.23 -0.32 -4.65 120.40 111.84 1ds2 s VAL 136 Ca 0.35 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1ds2 s VAL 136 Cb -0.16 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1ds2 s VAL 136 CO 0.11 -0.27 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.68 1ds2 s THR 137 N -3.18 0.44 0.06 5.32 2.01 0.94 -1.50 115.64 119.74 1ds2 s THR 137 Ca 0.30 -0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.11 1ds2 s THR 137 Cb 0.05 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1ds2 s THR 137 CO 0.11 0.10 -0.26 -0.60 -0.69 0.00 0.00 174.62 173.28 1ds2 s ARG 138 N -0.21 1.66 -0.05 4.92 3.52 0.36 -0.32 118.95 128.83 1ds2 s ARG 138 Ca 0.01 -1.14 0.03 0.00 -0.13 0.00 0.00 55.73 54.50 1ds2 s ARG 138 Cb -0.03 -1.90 0.01 0.00 -1.56 0.00 0.00 34.95 31.47 1ds2 s ARG 138 CO -0.00 0.48 -0.13 0.50 -0.81 0.00 0.00 175.30 175.34 1ds2 s ARG 139 N -1.42 1.61 0.05 5.12 3.52 -1.04 -0.99 118.95 125.80 1ds2 s ARG 139 Ca 0.12 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.26 1ds2 s ARG 139 Cb -0.10 -1.37 -0.04 0.00 -1.56 0.00 0.00 34.95 31.89 1ds2 s ARG 139 CO 0.03 0.10 -0.03 0.20 -0.81 0.00 0.00 175.30 174.79 1ds2 s GLY 140 N 0.41 0.50 0.42 8.12 0.00 -0.27 -3.54 107.32 112.95 1ds2 s GLY 140 Ca -0.10 -1.22 0.28 0.00 0.00 0.00 0.00 44.72 43.68 1ds2 s GLY 140 CO 0.03 -1.33 1.83 1.48 0.00 0.00 0.00 173.10 175.11 1ds2 h SER 141 N 3.13 0.00 0.00 1.64 4.64 -1.59 -1.77 113.55 119.60 1ds2 h SER 141 Ca -0.34 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.79 1ds2 h SER 141 Cb 1.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1ds2 h SER 141 CO 0.66 0.00 -1.43 0.41 -0.87 0.00 0.00 176.83 175.60 1ds2 n THR 142 N -2.77 1.50 0.98 2.95 -1.04 -1.26 -4.71 114.28 109.93 1ds2 n THR 142 Ca 0.02 -0.04 0.11 0.00 -2.04 0.00 0.00 64.05 62.11 1ds2 n THR 142 Cb 0.33 -2.16 0.13 0.00 -1.82 0.00 0.00 70.33 66.82 1ds2 n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ds2 n THR 143 N -4.42 0.01 -3.48 12.58 -2.24 -1.25 -5.07 114.28 110.40 1ds2 n THR 143 Ca -0.29 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ds2 n THR 143 Cb 0.61 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1ds2 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ds2 n GLY 156 N 1.49 0.34 3.67 3.38 0.00 -0.66 -4.82 105.19 108.59 1ds2 n GLY 156 Ca 0.05 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1ds2 n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ds2 s THR 157 N 0.00 5.27 0.01 2.61 2.01 -1.26 -1.12 115.64 123.16 1ds2 s THR 157 Ca 0.00 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.15 1ds2 s THR 157 Cb 0.00 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1ds2 s THR 157 CO 0.00 0.39 -0.03 -1.00 -0.69 0.00 0.00 174.62 173.29 1ds2 s HIS 158 N 0.78 0.25 0.40 4.92 3.76 -0.16 -4.98 115.29 120.25 1ds2 s HIS 158 Ca 0.07 -0.25 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1ds2 s HIS 158 Cb -0.13 -0.16 -0.06 0.00 1.11 0.00 0.00 32.58 33.33 1ds2 s HIS 158 CO 0.02 -0.07 0.09 -1.12 -0.85 0.00 0.00 174.74 172.80 1ds2 s SER 159 N -0.71 4.16 0.00 1.40 0.01 -1.26 -0.48 113.70 116.82 1ds2 s SER 159 Ca -0.06 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1ds2 s SER 159 Cb -0.05 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1ds2 s SER 159 CO -0.00 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1ds2 n GLY 160 N -1.09 -0.68 3.13 3.44 0.00 -0.56 -4.66 105.19 104.77 1ds2 n GLY 160 Ca -0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1ds2 n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ds2 s SER 161 N -4.00 0.63 -0.13 1.61 1.04 -1.26 -1.18 113.70 110.42 1ds2 s SER 161 Ca 0.00 -1.07 -0.29 0.00 0.48 0.00 0.00 55.95 55.07 1ds2 s SER 161 Cb 0.00 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1ds2 s SER 161 CO 0.00 -0.60 1.01 -0.69 0.98 0.00 0.00 173.24 173.94 1ds2 s VAL 162 N -3.87 4.77 -0.44 5.02 1.01 -0.26 -2.27 120.40 124.36 1ds2 s VAL 162 Ca 0.14 2.04 0.14 0.00 0.00 0.00 0.00 61.98 64.30 1ds2 s VAL 162 Cb 0.07 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.96 1ds2 s VAL 162 CO -0.05 -0.02 0.49 0.35 0.00 0.00 0.00 175.10 175.87 1ds2 n THR 163 N 4.67 0.00 -3.55 3.92 -2.24 0.57 -0.92 114.28 116.73 1ds2 n THR 163 Ca 0.09 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.58 1ds2 n THR 163 Cb 0.48 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1ds2 n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ds2 s ALA 164 N -2.54 -1.94 0.33 6.98 0.00 -1.10 -4.91 121.76 118.57 1ds2 s ALA 164 Ca 0.02 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1ds2 s ALA 164 Cb 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 1ds2 s ALA 164 CO 0.58 -0.57 -0.07 -0.51 0.00 0.00 0.00 175.76 175.19 1ds2 s LEU 165 N -2.08 2.63 -1.55 0.00 1.43 -1.26 -0.86 118.68 116.98 1ds2 s LEU 165 Ca 0.05 -1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 51.81 1ds2 s LEU 165 Cb -0.01 -0.83 0.09 0.00 0.03 0.00 0.00 46.19 45.47 1ds2 s LEU 165 CO -0.06 -0.29 0.85 0.59 0.23 0.00 0.00 176.35 177.67 1ds2 n ASN 166 N -0.73 -3.64 -4.82 2.29 4.13 -0.97 -4.90 115.26 106.62 1ds2 n ASN 166 Ca -0.05 -0.87 -0.35 0.00 1.68 0.00 0.00 54.58 54.99 1ds2 n ASN 166 Cb 0.64 -3.49 -0.06 0.00 -1.54 0.00 0.00 39.78 35.32 1ds2 n ASN 166 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ds2 s ALA 167 N -3.39 3.28 -0.21 5.41 0.00 0.00 -4.41 121.76 122.44 1ds2 s ALA 167 Ca 0.57 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 1ds2 s ALA 167 Cb -0.29 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1ds2 s ALA 167 CO 0.86 0.26 0.07 0.99 0.00 0.00 0.00 175.76 177.94 1ds2 s THR 168 N -1.78 4.64 -0.14 0.00 2.01 -1.26 -0.97 115.64 118.13 1ds2 s THR 168 Ca 0.51 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1ds2 s THR 168 Cb -0.14 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.26 1ds2 s THR 168 CO 0.19 0.41 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.64 1ds2 s VAL 169 N 0.84 2.17 -0.43 3.82 1.01 -0.48 -5.01 120.40 122.33 1ds2 s VAL 169 Ca 0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1ds2 s VAL 169 Cb -0.14 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.42 1ds2 s VAL 169 CO 0.02 0.54 0.30 0.21 0.00 0.00 0.00 175.10 176.18 1ds2 s ASN 170 N 0.84 5.93 0.00 3.32 3.84 -1.26 -1.44 114.94 126.17 1ds2 s ASN 170 Ca -0.06 -1.21 0.29 0.00 0.21 0.00 0.00 52.86 52.09 1ds2 s ASN 170 Cb -0.15 -2.10 1.32 0.00 -0.55 0.00 0.00 41.25 39.77 1ds2 s ASN 170 CO -0.02 -0.53 1.90 -1.22 -2.79 0.00 0.00 177.10 174.44 1ds2 n TYR 171 N 5.09 0.00 0.00 0.43 4.01 0.10 -5.01 117.16 121.77 1ds2 n TYR 171 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1ds2 n TYR 171 Cb 0.45 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 1ds2 n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ds2 n GLY 172 N 1.13 -0.77 2.42 2.72 0.00 -1.22 -4.84 105.19 104.62 1ds2 n GLY 172 Ca 0.20 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 1ds2 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ds2 n GLY 173 N -0.89 0.32 1.78 -0.02 0.00 -1.26 -0.14 105.19 104.97 1ds2 n GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ds2 n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ds2 n GLY 174 N -0.74 0.69 3.45 -0.02 0.00 -1.26 -4.98 105.19 102.33 1ds2 n GLY 174 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1ds2 n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ds2 s ASP 175 N -2.29 6.86 -0.11 1.61 1.01 0.80 -4.94 116.67 119.61 1ds2 s ASP 175 Ca 0.00 -2.55 0.00 0.00 0.71 0.00 0.00 52.55 50.71 1ds2 s ASP 175 Cb 0.00 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1ds2 s ASP 175 CO 0.00 -0.88 -0.10 -0.69 0.21 0.00 0.00 175.17 173.71 1ds2 s VAL 176 N 1.98 3.34 0.06 -1.27 1.01 -1.26 -0.73 120.40 123.53 1ds2 s VAL 176 Ca 0.37 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1ds2 s VAL 176 Cb -0.04 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1ds2 s VAL 176 CO -0.05 0.54 -0.18 0.68 0.00 0.00 0.00 175.10 176.09 1ds2 s VAL 177 N -0.06 2.81 0.30 2.92 -7.23 -0.52 0.21 120.40 118.82 1ds2 s VAL 177 Ca -0.01 -1.25 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 1ds2 s VAL 177 Cb -0.14 -2.21 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 1ds2 s VAL 177 CO 0.03 0.29 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.73 1ds2 s TYR 178 N -0.97 2.07 -1.38 2.82 2.02 -0.24 -1.38 117.35 120.29 1ds2 s TYR 178 Ca 0.15 -0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1ds2 s TYR 178 Cb -0.11 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 1ds2 s TYR 178 CO 0.06 0.37 0.08 0.41 -1.57 0.00 0.00 175.55 174.90 1ds2 n GLY 179 N -0.64 -0.30 3.83 0.71 0.00 -1.07 -4.81 105.19 102.90 1ds2 n GLY 179 Ca -0.05 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1ds2 n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ds2 s MET 180 N -4.92 4.19 -0.19 1.61 -1.94 -0.14 -4.40 119.30 113.50 1ds2 s MET 180 Ca 0.04 0.90 -0.24 0.00 -1.71 0.00 0.00 55.69 54.68 1ds2 s MET 180 Cb -0.02 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 1ds2 s MET 180 CO 0.05 0.19 0.77 0.42 -0.01 0.00 0.00 175.02 176.44 1ds2 s ILE 181 N -1.86 4.91 -0.09 2.53 1.01 0.21 -0.82 121.20 127.09 1ds2 s ILE 181 Ca 0.52 1.49 -0.11 0.00 0.00 0.00 0.00 60.65 62.56 1ds2 s ILE 181 Cb -0.13 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1ds2 s ILE 181 CO 0.18 0.03 0.24 -0.60 0.00 0.00 0.00 174.94 174.80 1ds2 s ARG 182 N 2.21 3.75 0.25 2.79 3.52 -0.04 -0.84 118.95 130.60 1ds2 s ARG 182 Ca 0.35 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 1ds2 s ARG 182 Cb -0.16 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1ds2 s ARG 182 CO 0.11 0.65 0.23 0.95 -0.81 0.00 0.00 175.30 176.43 1ds2 s THR 183 N -0.75 0.00 -0.26 4.11 -4.23 -0.59 -0.31 115.64 113.60 1ds2 s THR 183 Ca 0.17 -1.92 0.12 0.00 -1.18 0.00 0.00 61.69 58.89 1ds2 s THR 183 Cb -0.14 -2.49 0.63 0.00 1.34 0.00 0.00 72.50 71.84 1ds2 s THR 183 CO 0.07 0.00 1.60 -0.46 -0.54 0.00 0.00 174.62 175.28 1ds2 n ASN 184 N -0.76 4.08 -4.80 3.99 0.23 -0.96 -2.79 115.26 114.25 1ds2 n ASN 184 Ca 0.03 -3.24 -0.38 0.00 -0.53 0.00 0.00 54.58 50.47 1ds2 n ASN 184 Cb 0.64 -0.65 -0.06 0.00 -2.08 0.00 0.00 39.78 37.63 1ds2 n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1ds2 s VAL 190 N -2.97 4.51 0.54 3.53 1.01 -1.26 -4.60 120.40 121.16 1ds2 s VAL 190 Ca 0.48 1.43 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 1ds2 s VAL 190 Cb 0.40 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1ds2 s VAL 190 CO 0.09 0.35 0.83 0.00 0.00 0.00 0.00 175.10 176.38 1ds2 s ALA 192 N -2.85 -1.77 0.09 0.00 0.00 -1.26 -4.92 121.76 111.05 1ds2 s ALA 192 Ca 0.51 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 1ds2 s ALA 192 Cb -0.10 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1ds2 s ALA 192 CO 0.44 -0.50 0.03 -1.21 0.00 0.00 0.00 175.76 174.51 1ds2 s GLU 192 N -2.08 0.79 -0.25 0.00 2.02 -1.26 -4.65 118.70 113.26 1ds2 s GLU 192 Ca -0.04 -1.32 -0.42 0.00 0.02 0.00 0.00 54.97 53.21 1ds2 s GLU 192 Cb -0.00 0.23 -0.18 0.00 0.10 0.00 0.00 34.13 34.28 1ds2 s GLU 192 CO -0.00 -0.20 1.56 -2.30 0.02 0.00 0.00 175.26 174.34 1ds2 n PRO 192 N -0.00 0.68 0.00 0.39 -0.02 -1.26 -0.80 135.00 133.99 1ds2 n PRO 192 Ca -0.10 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ds2 n PRO 192 Cb 0.62 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1ds2 n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ds2 n GLY 193 N 3.56 2.54 0.07 -1.23 0.00 -1.26 -4.74 105.19 104.13 1ds2 n GLY 193 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1ds2 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ds2 n ASP 194 N 0.00 0.66 -4.52 1.61 8.00 0.02 -3.50 116.55 118.83 1ds2 n ASP 194 Ca 0.00 0.32 -0.48 0.00 0.71 0.00 0.00 54.79 55.34 1ds2 n ASP 194 Cb 0.00 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1ds2 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ds2 n SER 195 N -2.07 0.39 0.00 -2.24 7.64 -1.26 -1.46 113.62 114.62 1ds2 n SER 195 Ca 0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1ds2 n SER 195 Cb 0.42 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1ds2 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ds2 n GLY 196 N 1.72 2.51 3.74 0.23 0.00 0.45 -0.39 105.19 113.44 1ds2 n GLY 196 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1ds2 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ds2 s GLY 197 N -2.00 1.82 0.50 -0.02 0.00 -0.53 -2.24 107.32 104.85 1ds2 s GLY 197 Ca 0.00 0.47 -0.21 0.00 0.00 0.00 0.00 44.72 44.98 1ds2 s GLY 197 CO 0.00 0.84 1.09 2.56 0.00 0.00 0.00 173.10 177.59 1ds2 s PRO 198 N -4.61 3.67 -0.19 2.90 0.04 -1.23 -0.98 135.00 134.60 1ds2 s PRO 198 Ca 0.65 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1ds2 s PRO 198 Cb -0.20 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1ds2 s PRO 198 CO 0.53 -0.57 -0.19 -1.17 0.04 0.00 0.00 177.00 175.64 1ds2 s LEU 199 N -3.47 2.24 0.29 -3.56 2.96 -0.01 -2.49 118.68 114.64 1ds2 s LEU 199 Ca 0.68 -0.72 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1ds2 s LEU 199 Cb -0.21 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1ds2 s LEU 199 CO 0.25 -0.02 0.11 -0.72 -1.32 0.00 0.00 176.35 174.65 1ds2 s TYR 200 N 1.28 1.61 -0.31 5.38 1.13 0.57 -0.20 117.35 126.81 1ds2 s TYR 200 Ca 0.04 -1.22 -0.02 0.00 -1.41 0.00 0.00 57.07 54.46 1ds2 s TYR 200 Cb -0.14 -0.94 0.12 0.00 -1.10 0.00 0.00 41.96 39.90 1ds2 s TYR 200 CO -0.12 -0.35 0.20 0.45 -2.51 0.00 0.00 175.55 173.22 1ds2 s SER 201 N -3.37 2.88 1.41 -0.18 0.15 0.06 -0.04 113.70 114.61 1ds2 s SER 201 Ca 0.36 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1ds2 s SER 201 Cb 0.07 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1ds2 s SER 201 CO 0.15 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1ds2 n GLY 202 N 4.83 2.88 1.33 9.45 0.00 -1.26 -2.05 105.19 120.37 1ds2 n GLY 202 Ca 0.01 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1ds2 n GLY 202 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ds2 n THR 207 N 0.00 1.02 -3.91 2.61 -2.24 -1.26 -4.89 114.28 105.61 1ds2 n THR 207 Ca 0.00 -0.97 -0.35 0.00 -2.27 0.00 0.00 64.05 60.47 1ds2 n THR 207 Cb 0.00 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.58 1ds2 n THR 207 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ds2 s ARG 208 N -1.11 4.02 -0.00 -0.78 0.52 -0.87 -0.61 118.95 120.12 1ds2 s ARG 208 Ca 0.48 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 1ds2 s ARG 208 Cb 0.25 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1ds2 s ARG 208 CO 0.32 0.25 1.01 0.00 0.02 0.00 0.00 175.30 176.89 1ds2 s ALA 209 N 0.45 3.21 -0.05 2.13 0.00 0.52 -0.76 121.76 127.26 1ds2 s ALA 209 Ca 0.05 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1ds2 s ALA 209 Cb -0.12 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1ds2 s ALA 209 CO 0.00 -0.29 -0.05 -0.89 0.00 0.00 0.00 175.76 174.53 1ds2 n ILE 210 N 3.97 0.29 -3.78 0.00 2.08 0.73 -1.60 119.36 121.05 1ds2 n ILE 210 Ca 0.07 -0.10 -0.07 0.00 0.56 0.00 0.00 62.75 63.21 1ds2 n ILE 210 Cb 0.50 -1.00 0.03 0.00 -0.75 0.00 0.00 39.64 38.42 1ds2 n ILE 210 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ds2 n GLY 211 N 3.04 0.94 3.15 7.39 0.00 -0.49 -1.70 105.19 117.52 1ds2 n GLY 211 Ca -0.10 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1ds2 n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ds2 s LEU 212 N 0.00 1.93 0.02 0.99 1.43 -0.15 -0.83 118.68 122.06 1ds2 s LEU 212 Ca 0.17 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1ds2 s LEU 212 Cb -0.04 -1.08 -0.08 0.00 0.03 0.00 0.00 46.19 45.02 1ds2 s LEU 212 CO 0.10 0.15 1.73 -0.89 0.23 0.00 0.00 176.35 177.67 1ds2 s THR 213 N 0.15 3.21 -0.18 5.49 2.01 -0.15 -0.41 115.64 125.76 1ds2 s THR 213 Ca -0.08 0.44 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1ds2 s THR 213 Cb -0.14 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 1ds2 s THR 213 CO 0.04 -0.02 -0.20 -0.24 -0.69 0.00 0.00 174.62 173.50 1ds2 n SER 214 N 6.60 1.84 0.00 3.53 2.88 -0.42 -0.41 113.62 127.63 1ds2 n SER 214 Ca 0.17 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1ds2 n SER 214 Cb 0.41 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1ds2 n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ds2 n GLY 215 N 2.17 -0.81 0.00 0.46 0.00 -1.13 -4.90 105.19 100.98 1ds2 n GLY 215 Ca -0.34 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1ds2 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ds2 n GLY 216 N -0.13 -0.77 3.21 -0.02 0.00 -1.26 -0.11 105.19 106.12 1ds2 n GLY 216 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1ds2 n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ds2 s SER 217 N -4.00 0.35 0.25 1.61 1.04 -0.24 -5.01 113.70 107.70 1ds2 s SER 217 Ca 0.00 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1ds2 s SER 217 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1ds2 s SER 217 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1ds2 n GLY 218 N -0.28 -0.75 3.82 7.32 0.00 -1.26 -2.34 105.19 111.69 1ds2 n GLY 218 Ca 0.01 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 1ds2 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ds2 s ASN 219 N -4.00 -0.04 0.37 1.61 2.20 -0.98 -4.86 114.94 109.25 1ds2 s ASN 219 Ca 0.00 -1.00 0.27 0.00 -0.94 0.00 0.00 52.86 51.19 1ds2 s ASN 219 Cb 0.00 0.79 0.99 0.00 -2.00 0.00 0.00 41.25 41.02 1ds2 s ASN 219 CO 0.00 -1.55 1.80 0.00 -2.94 0.00 0.00 177.10 174.41 1ds2 h SER 221 N 0.00 0.00 0.76 0.00 0.87 -2.00 -3.36 113.55 109.81 1ds2 h SER 221 Ca 0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1ds2 h SER 221 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1ds2 h SER 221 CO 0.00 0.97 -0.44 -1.20 -0.53 0.00 0.00 176.83 175.63 1ds2 n SER 222 N -4.61 0.50 0.00 6.23 7.64 -1.24 -5.06 113.62 117.08 1ds2 n SER 222 Ca -0.12 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1ds2 n SER 222 Cb 0.40 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1ds2 n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ds2 n GLY 223 N 1.43 1.14 1.07 0.23 0.00 0.16 -4.90 105.19 104.32 1ds2 n GLY 223 Ca 0.05 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1ds2 n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ds2 n GLY 224 N 1.11 1.37 3.14 -0.02 0.00 -1.19 -2.31 105.19 107.28 1ds2 n GLY 224 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1ds2 n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ds2 s THR 225 N -2.57 1.72 -0.02 2.61 2.01 -0.99 -4.06 115.64 114.34 1ds2 s THR 225 Ca 0.06 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1ds2 s THR 225 Cb -0.01 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1ds2 s THR 225 CO 0.02 0.48 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.38 1ds2 s THR 226 N 0.53 1.33 -0.07 -0.82 2.01 -1.12 -1.08 115.64 116.42 1ds2 s THR 226 Ca -0.16 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1ds2 s THR 226 Cb -0.17 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1ds2 s THR 226 CO 0.06 0.38 0.03 -0.36 -0.69 0.00 0.00 174.62 174.03 1ds2 s PHE 227 N -0.24 3.22 0.08 4.92 0.08 0.84 -1.55 117.98 125.33 1ds2 s PHE 227 Ca 0.03 0.22 0.06 0.00 0.12 0.00 0.00 56.93 57.37 1ds2 s PHE 227 Cb -0.08 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1ds2 s PHE 227 CO 0.00 0.51 -0.17 -0.06 -0.10 0.00 0.00 175.22 175.40 1ds2 s PHE 228 N -0.95 1.47 -0.15 0.36 0.40 -0.02 -1.30 117.98 117.79 1ds2 s PHE 228 Ca 0.15 -0.42 -0.21 0.00 -0.60 0.00 0.00 56.93 55.85 1ds2 s PHE 228 Cb -0.11 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 1ds2 s PHE 228 CO 0.04 0.11 0.60 -1.14 0.70 0.00 0.00 175.22 175.53 1ds2 s GLN 229 N -1.69 4.30 0.15 0.44 2.00 0.46 -0.62 119.66 124.70 1ds2 s GLN 229 Ca 0.02 0.62 -0.32 0.00 -2.00 0.00 0.00 55.36 53.69 1ds2 s GLN 229 Cb -0.10 -3.51 -0.12 0.00 0.80 0.00 0.00 33.01 30.09 1ds2 s GLN 229 CO 0.03 -0.05 1.78 -2.30 -0.50 0.00 0.00 175.29 174.24 1ds2 n PRO 230 N 4.36 2.71 0.20 1.67 -0.02 -1.26 -0.97 135.00 141.68 1ds2 n PRO 230 Ca -0.03 0.98 0.07 0.00 -2.02 0.00 0.00 63.50 62.50 1ds2 n PRO 230 Cb 0.51 -2.85 0.38 0.00 -0.02 0.00 0.00 33.50 31.52 1ds2 n PRO 230 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1ds2 h VAL 231 N 4.28 0.75 -0.79 -1.45 3.04 -1.64 -3.16 116.25 117.29 1ds2 h VAL 231 Ca -0.45 -1.36 0.05 0.00 -1.01 0.00 0.00 66.70 63.93 1ds2 h VAL 231 Cb 1.22 1.86 -0.05 0.00 -2.01 0.00 0.00 31.29 32.31 1ds2 h VAL 231 CO 0.95 0.31 0.49 0.71 -1.01 0.00 0.00 177.57 179.01 1ds2 h THR 232 N 0.00 1.06 -0.32 3.17 1.35 -1.85 -0.57 112.91 115.75 1ds2 h THR 232 Ca -0.00 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.50 1ds2 h THR 232 Cb 0.84 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 1ds2 h THR 232 CO 0.04 0.17 0.03 -0.33 -0.25 0.00 0.00 175.52 175.18 1ds2 h GLU 233 N 0.92 0.48 -0.13 4.72 5.08 -1.95 -1.76 114.58 121.95 1ds2 h GLU 233 Ca 0.33 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 1ds2 h GLU 233 Cb 0.10 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ds2 h GLU 233 CO -0.15 0.49 -0.77 0.00 -1.00 0.00 0.00 179.01 177.58 1ds2 h ALA 234 N 1.57 0.27 -0.86 3.43 0.00 -1.41 -2.03 119.26 120.24 1ds2 h ALA 234 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1ds2 h ALA 234 Cb 0.26 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1ds2 h ALA 234 CO 0.00 0.64 0.43 -0.07 0.00 0.00 0.00 179.25 180.25 1ds2 h LEU 235 N 0.47 1.11 -0.18 0.00 3.38 -0.74 -2.18 115.31 117.17 1ds2 h LEU 235 Ca -0.06 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1ds2 h LEU 235 Cb 1.41 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ds2 h LEU 235 CO 0.16 0.92 -0.43 0.58 0.09 0.00 0.00 178.44 179.76 1ds2 h VAL 235 N 1.21 1.33 -0.90 1.22 2.07 -1.36 -1.01 116.25 118.82 1ds2 h VAL 235 Ca 0.30 -1.68 0.11 0.00 0.82 0.00 0.00 66.70 66.25 1ds2 h VAL 235 Cb 0.09 1.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1ds2 h VAL 235 CO -0.04 0.52 0.58 0.00 0.02 0.00 0.00 177.57 178.65 1ds2 h ALA 236 N 0.57 1.66 -0.02 1.67 0.00 -1.05 -2.67 119.26 119.41 1ds2 h ALA 236 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ds2 h ALA 236 Cb 1.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ds2 h ALA 236 CO 0.09 0.15 -0.25 0.66 0.00 0.00 0.00 179.25 179.90 1ds2 n TYR 237 N -4.54 0.00 -2.88 0.00 4.01 -0.85 -4.97 117.16 107.94 1ds2 n TYR 237 Ca 0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.70 1ds2 n TYR 237 Cb 0.33 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.39 1ds2 n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ds2 n GLY 238 N 1.33 -0.36 3.75 2.72 0.00 -0.47 -5.01 105.19 107.16 1ds2 n GLY 238 Ca 0.11 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1ds2 n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ds2 s VAL 239 N -3.08 2.24 0.01 1.61 -7.23 -0.68 -4.75 120.40 108.52 1ds2 s VAL 239 Ca 0.24 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 1ds2 s VAL 239 Cb -0.11 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.93 1ds2 s VAL 239 CO 0.30 0.00 0.23 -0.94 -0.31 0.00 0.00 175.10 174.38 1ds2 s SER 240 N -3.93 -0.06 0.78 4.85 1.04 -0.81 -4.61 113.70 110.95 1ds2 s SER 240 Ca 0.40 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 1ds2 s SER 240 Cb 0.03 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.49 1ds2 s SER 240 CO 0.22 -0.46 1.09 0.68 0.98 0.00 0.00 173.24 175.75 1ds2 s VAL 241 N -1.74 3.17 0.00 5.02 -7.23 -1.26 -1.59 120.40 116.77 1ds2 s VAL 241 Ca -0.11 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1ds2 s VAL 241 Cb -0.05 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1ds2 s VAL 241 CO 0.01 -0.50 0.00 0.00 -0.31 0.00 0.00 175.10 174.30