#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sfa s ALA 2 N 0.00 4.03 0.42 1.51 0.00 -1.26 -3.26 121.76 123.21 2sfa s ALA 2 Ca 0.00 -1.89 -0.26 0.00 0.00 0.00 0.00 51.96 49.81 2sfa s ALA 2 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 23.12 22.04 2sfa s ALA 2 CO 0.00 -0.21 1.45 0.20 0.00 0.00 0.00 175.76 177.19 2sfa s GLY 3 N -4.12 2.93 0.00 0.00 0.00 0.47 -2.56 107.32 104.04 2sfa s GLY 3 Ca 0.48 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.69 2sfa s GLY 3 CO 0.28 2.14 0.00 0.61 0.00 0.00 0.00 173.10 176.12 2sfa n GLY 4 N 0.54 3.16 3.81 0.20 0.00 0.12 -1.03 105.19 111.99 2sfa n GLY 4 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2sfa n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2sfa s GLU 5 N -0.42 3.82 0.41 1.61 2.02 -1.06 -2.07 118.70 123.00 2sfa s GLU 5 Ca 0.00 1.21 -0.26 0.00 0.02 0.00 0.00 54.97 55.94 2sfa s GLU 5 Cb 0.00 -2.11 -0.09 0.00 0.10 0.00 0.00 34.13 32.04 2sfa s GLU 5 CO 0.00 -0.39 1.31 0.00 0.02 0.00 0.00 175.26 176.20 2sfa s ALA 6 N -2.23 3.26 -0.01 5.21 0.00 -1.26 -0.62 121.76 126.11 2sfa s ALA 6 Ca 0.64 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.89 2sfa s ALA 6 Cb -0.14 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2sfa s ALA 6 CO 0.24 -0.85 -0.14 0.96 0.00 0.00 0.00 175.76 175.97 2sfa s ILE 7 N -1.26 1.08 -0.06 0.00 -4.36 -0.64 -4.76 121.20 111.21 2sfa s ILE 7 Ca 0.57 -0.57 0.05 0.00 -0.26 0.00 0.00 60.65 60.43 2sfa s ILE 7 Cb -0.39 -0.90 -0.00 0.00 1.25 0.00 0.00 42.46 42.42 2sfa s ILE 7 CO 0.50 0.31 -0.21 -0.31 0.24 0.00 0.00 174.94 175.46 2sfa s TYR 8 N -0.26 2.11 0.23 1.37 1.51 0.27 -0.91 117.35 121.66 2sfa s TYR 8 Ca 0.04 -0.68 -0.25 0.00 -1.01 0.00 0.00 57.07 55.17 2sfa s TYR 8 Cb -0.06 -1.41 -0.09 0.00 -0.11 0.00 0.00 41.96 40.29 2sfa s TYR 8 CO -0.00 -0.24 0.83 0.00 -1.11 0.00 0.00 175.55 175.02 2sfa s ALA 9 N 0.08 3.37 0.02 3.71 0.00 0.48 -0.42 121.76 128.99 2sfa s ALA 9 Ca -0.08 0.40 -0.34 0.00 0.00 0.00 0.00 51.96 51.94 2sfa s ALA 9 Cb -0.14 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 19.84 2sfa s ALA 9 CO 0.04 0.26 1.77 0.00 0.00 0.00 0.00 175.76 177.83 2sfa n ALA 10 N 1.15 1.12 -1.09 0.00 0.00 -0.06 -1.44 120.51 120.19 2sfa n ALA 10 Ca -0.03 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2sfa n ALA 10 Cb 0.49 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2sfa n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2sfa n GLY 11 N 4.02 0.41 0.00 0.00 0.00 -1.26 -4.92 105.19 103.44 2sfa n GLY 11 Ca 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2sfa n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sfa n GLY 12 N -2.69 2.35 0.00 -0.02 0.00 -0.52 -5.16 105.19 99.15 2sfa n GLY 12 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2sfa n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sfa n GLY 13 N 1.62 3.25 3.23 -0.02 0.00 -1.26 -4.43 105.19 107.58 2sfa n GLY 13 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 2sfa n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2sfa s ARG 14 N -5.58 1.75 0.00 1.61 3.52 -1.26 -0.39 118.95 118.60 2sfa s ARG 14 Ca 0.00 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 2sfa s ARG 14 Cb 0.00 -1.68 0.00 0.00 -1.56 0.00 0.00 34.95 31.71 2sfa s ARG 14 CO 0.00 0.46 0.00 0.00 -0.81 0.00 0.00 175.30 174.95 2sfa s SER 16 N -0.18 2.70 0.30 0.00 0.01 0.09 -1.62 113.70 115.00 2sfa s SER 16 Ca 0.00 -0.72 -0.28 0.00 1.31 0.00 0.00 55.95 56.27 2sfa s SER 16 Cb 0.00 -0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 2sfa s SER 16 CO 0.00 0.07 0.99 -0.22 0.41 0.00 0.00 173.24 174.49 2sfa s LEU 17 N -2.02 4.46 0.00 2.44 0.20 0.21 -3.55 118.68 120.43 2sfa s LEU 17 Ca 0.09 1.99 0.00 0.00 0.69 0.00 0.00 54.13 56.90 2sfa s LEU 17 Cb -0.10 -3.83 0.00 0.00 -0.43 0.00 0.00 46.19 41.84 2sfa s LEU 17 CO 0.05 -0.07 0.00 0.61 -0.29 0.00 0.00 176.35 176.65 2sfa n GLY 18 N 0.96 0.71 3.12 7.98 0.00 0.40 0.14 105.19 118.51 2sfa n GLY 18 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2sfa n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2sfa s PHE 19 N -0.13 0.05 0.03 1.61 0.08 -1.20 -4.11 117.98 114.32 2sfa s PHE 19 Ca 0.00 -0.18 -0.21 0.00 0.12 0.00 0.00 56.93 56.66 2sfa s PHE 19 Cb 0.00 -0.05 -0.06 0.00 -0.57 0.00 0.00 43.02 42.34 2sfa s PHE 19 CO 0.00 -0.32 0.63 -0.80 -0.10 0.00 0.00 175.22 174.63 2sfa s ASN 20 N -1.55 7.06 0.22 1.36 0.01 -1.26 -0.37 114.94 120.41 2sfa s ASN 20 Ca -0.13 1.26 0.01 0.00 -0.71 0.00 0.00 52.86 53.29 2sfa s ASN 20 Cb -0.06 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 2sfa s ASN 20 CO 0.00 0.14 0.07 0.68 -1.51 0.00 0.00 177.10 176.48 2sfa s VAL 21 N -0.44 0.49 0.00 1.60 -7.23 0.77 -2.80 120.40 112.78 2sfa s VAL 21 Ca 0.32 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2sfa s VAL 21 Cb -0.19 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2sfa s VAL 21 CO 0.19 -0.14 0.07 0.00 -0.31 0.00 0.00 175.10 174.90 2sfa s ARG 22 N -4.02 0.37 0.83 4.82 1.70 -0.37 -1.09 118.95 121.19 2sfa s ARG 22 Ca 0.34 -0.42 -0.12 0.00 -0.47 0.00 0.00 55.73 55.06 2sfa s ARG 22 Cb 0.07 0.15 0.11 0.00 -0.57 0.00 0.00 34.95 34.71 2sfa s ARG 22 CO 0.10 -0.08 1.19 -1.54 -1.08 0.00 0.00 175.30 173.89 2sfa s SER 23 N -1.24 4.22 0.18 -2.89 1.04 0.88 -1.42 113.70 114.48 2sfa s SER 23 Ca -0.13 0.60 0.18 0.00 0.48 0.00 0.00 55.95 57.07 2sfa s SER 23 Cb -0.08 -1.00 0.80 0.00 0.10 0.00 0.00 66.02 65.84 2sfa s SER 23 CO 0.00 -2.06 1.54 -1.54 0.98 0.00 0.00 173.24 172.17 2sfa n SER 24 N -3.36 0.40 -0.49 7.02 3.41 -1.26 -0.66 113.62 118.68 2sfa n SER 24 Ca 0.10 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 2sfa n SER 24 Cb 0.61 -0.70 0.25 0.00 -0.26 0.00 0.00 64.21 64.11 2sfa n SER 24 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2sfa n SER 25 N -1.97 1.75 0.00 4.04 3.41 -1.26 -4.94 113.62 114.64 2sfa n SER 25 Ca 0.01 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 2sfa n SER 25 Cb 0.14 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2sfa n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2sfa n GLY 26 N 1.33 0.76 3.76 5.00 0.00 0.17 -5.05 105.19 111.16 2sfa n GLY 26 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2sfa n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2sfa s ALA 27 N -2.31 3.30 0.05 4.61 0.00 -1.26 -4.78 121.76 121.37 2sfa s ALA 27 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.72 2sfa s ALA 27 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2sfa s ALA 27 CO 0.00 -0.01 -0.05 0.95 0.00 0.00 0.00 175.76 176.66 2sfa s THR 28 N -1.33 3.75 0.22 0.00 -4.23 -1.26 -0.08 115.64 112.71 2sfa s THR 28 Ca 0.47 -0.91 -0.06 0.00 -1.18 0.00 0.00 61.69 60.01 2sfa s THR 28 Cb -0.26 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 2sfa s THR 28 CO 0.33 0.26 0.27 -0.31 -0.54 0.00 0.00 174.62 174.64 2sfa s TYR 29 N -1.13 0.82 -0.08 3.99 1.51 -0.25 -1.47 117.35 120.73 2sfa s TYR 29 Ca 0.21 -1.10 0.04 0.00 -1.01 0.00 0.00 57.07 55.20 2sfa s TYR 29 Cb -0.11 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 2sfa s TYR 29 CO 0.12 -0.78 -0.20 0.00 -1.11 0.00 0.00 175.55 173.57 2sfa s ALA 30 N -4.10 2.37 0.09 3.71 0.00 0.38 -0.17 121.76 124.04 2sfa s ALA 30 Ca 0.32 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 2sfa s ALA 30 Cb 0.04 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 2sfa s ALA 30 CO 0.10 0.38 0.40 -0.51 0.00 0.00 0.00 175.76 176.13 2sfa s LEU 31 N -0.04 4.34 0.00 0.00 1.43 0.50 -1.08 118.68 123.82 2sfa s LEU 31 Ca -0.06 0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2sfa s LEU 31 Cb -0.14 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.06 2sfa s LEU 31 CO 0.05 0.16 0.08 1.07 0.23 0.00 0.00 176.35 177.93 2sfa n THR 32 N 0.84 0.00 -2.63 5.49 5.66 -0.68 -0.45 114.28 122.51 2sfa n THR 32 Ca -0.07 -0.11 -0.36 0.00 -3.05 0.00 0.00 64.05 60.45 2sfa n THR 32 Cb 0.52 0.10 -0.05 0.00 -1.55 0.00 0.00 70.33 69.35 2sfa n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2sfa s ALA 33 N -1.18 3.11 0.31 1.79 0.00 -1.26 -0.85 121.76 123.68 2sfa s ALA 33 Ca 0.02 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.67 2sfa s ALA 33 Cb -0.00 -3.24 0.50 0.00 0.00 0.00 0.00 23.12 20.37 2sfa s ALA 33 CO 0.01 -0.08 1.73 0.78 0.00 0.00 0.00 175.76 178.20 2sfa h GLY 34 N 2.61 0.30 2.00 0.00 0.00 -1.58 -1.58 103.07 104.82 2sfa h GLY 34 Ca -0.48 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2sfa h GLY 34 CO 0.63 0.24 0.00 1.12 0.00 0.00 0.00 176.54 178.53 2sfa h HIS 35 N 0.24 0.00 0.00 5.60 2.07 -1.86 -1.73 115.15 119.47 2sfa h HIS 35 Ca 0.03 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.48 2sfa h HIS 35 Cb 0.73 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.70 2sfa h HIS 35 CO 0.01 0.00 -0.50 0.00 -3.07 0.00 0.00 177.93 174.38 2sfa h THR 37 N -1.00 0.21 0.00 0.00 1.35 -1.35 -0.60 112.91 111.53 2sfa h THR 37 Ca -0.10 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2sfa h THR 37 Cb 0.72 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2sfa h THR 37 CO -0.06 0.00 -0.06 1.05 -0.25 0.00 0.00 175.52 176.20 2sfa h GLU 38 N 0.00 0.00 0.00 4.72 4.11 -1.47 -3.09 114.58 118.85 2sfa h GLU 38 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2sfa h GLU 38 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2sfa h GLU 38 CO 0.00 0.06 -0.44 -0.84 0.07 0.00 0.00 179.01 177.85 2sfa h ILE 39 N 0.00 0.53 -2.41 -1.06 3.07 -1.29 -3.48 117.51 112.87 2sfa h ILE 39 Ca -0.00 -1.77 -0.02 0.00 1.55 0.00 0.00 64.86 64.62 2sfa h ILE 39 Cb 0.45 2.22 -0.16 0.00 -0.27 0.00 0.00 36.82 39.05 2sfa h ILE 39 CO 0.01 0.30 0.25 0.00 -1.05 0.00 0.00 178.15 177.65 2sfa s ALA 40 N -3.05 -1.71 -0.13 0.16 0.00 -1.17 -5.02 121.76 110.83 2sfa s ALA 40 Ca 0.04 0.97 0.16 0.00 0.00 0.00 0.00 51.96 53.13 2sfa s ALA 40 Cb 0.07 0.36 -0.07 0.00 0.00 0.00 0.00 23.12 23.48 2sfa s ALA 40 CO 0.73 -0.56 1.02 0.66 0.00 0.00 0.00 175.76 177.62 2sfa h SER 41 N 2.47 0.00 -3.73 0.00 4.64 -1.92 -3.43 113.55 111.57 2sfa h SER 41 Ca -0.29 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.35 2sfa h SER 41 Cb 1.22 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.03 2sfa h SER 41 CO 0.37 0.53 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.15 2sfa s THR 42 N -2.95 2.59 0.05 2.95 2.01 -1.26 0.24 115.64 119.26 2sfa s THR 42 Ca -0.01 -0.86 0.07 0.00 0.31 0.00 0.00 61.69 61.20 2sfa s THR 42 Cb 0.08 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2sfa s THR 42 CO 0.79 0.56 -0.19 0.26 -0.69 0.00 0.00 174.62 175.35 2sfa s TRP 43 N -0.08 1.65 0.22 4.92 0.52 -0.17 -0.88 118.94 125.12 2sfa s TRP 43 Ca -0.04 -0.37 0.08 0.00 0.02 0.00 0.00 56.10 55.79 2sfa s TRP 43 Cb -0.14 -0.97 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 2sfa s TRP 43 CO 0.04 0.09 -0.15 0.71 0.02 0.00 0.00 176.95 177.66 2sfa s TYR 44 N -0.86 1.83 -2.57 -1.98 1.51 0.44 0.04 117.35 115.77 2sfa s TYR 44 Ca 0.06 -0.54 0.21 0.00 -1.01 0.00 0.00 57.07 55.79 2sfa s TYR 44 Cb -0.09 -0.85 0.15 0.00 -0.11 0.00 0.00 41.96 41.06 2sfa s TYR 44 CO 0.02 0.42 1.15 0.25 -1.11 0.00 0.00 175.55 176.28 2sfa n THR 45 N -0.44 0.00 -4.15 -0.71 -2.24 0.27 -0.57 114.28 106.44 2sfa n THR 45 Ca -0.07 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.09 2sfa n THR 45 Cb 0.61 1.42 -0.11 0.00 -2.10 0.00 0.00 70.33 70.15 2sfa n THR 45 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2sfa s ASN 46 N -1.82 1.28 0.38 3.42 4.22 -1.26 -4.85 114.94 116.30 2sfa s ASN 46 Ca 0.24 -0.77 0.05 0.00 -2.14 0.00 0.00 52.86 50.24 2sfa s ASN 46 Cb 0.18 0.02 0.75 0.00 1.28 0.00 0.00 41.25 43.48 2sfa s ASN 46 CO 0.29 -0.27 2.03 -1.28 -2.04 0.00 0.00 177.10 175.83 2sfa h SER 47 N 3.75 0.60 0.62 3.54 0.87 -1.98 -0.04 113.55 120.90 2sfa h SER 47 Ca -0.37 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2sfa h SER 47 Cb 1.19 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2sfa h SER 47 CO 0.51 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.85 2sfa n GLY 48 N -1.46 -1.13 3.62 5.77 0.00 -1.26 -4.93 105.19 105.81 2sfa n GLY 48 Ca 0.05 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2sfa n GLY 48 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2sfa n GLN 49 N -1.46 -6.18 -0.01 1.61 6.02 -0.03 -4.91 117.38 112.42 2sfa n GLN 49 Ca 0.06 0.73 0.03 0.00 -0.01 0.00 0.00 57.00 57.81 2sfa n GLN 49 Cb 0.21 -5.59 -0.05 0.00 1.02 0.00 0.00 30.24 25.83 2sfa n GLN 49 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2sfa n THR 50 N -4.43 0.03 -3.56 5.09 -2.24 -1.26 -4.91 114.28 103.00 2sfa n THR 50 Ca -0.19 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.01 2sfa n THR 50 Cb 0.63 0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 69.00 2sfa n THR 50 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2sfa s SER 51 N -2.89 5.86 0.13 3.42 0.01 -1.26 -5.05 113.70 113.92 2sfa s SER 51 Ca -0.03 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.10 2sfa s SER 51 Cb 0.04 -2.07 -0.07 0.00 0.21 0.00 0.00 66.02 64.13 2sfa s SER 51 CO 0.29 -0.36 1.16 -0.22 0.41 0.00 0.00 173.24 174.52 2sfa s LEU 52 N 1.62 4.43 -0.16 2.44 2.96 -1.26 -0.57 118.68 128.13 2sfa s LEU 52 Ca 0.04 2.08 -0.15 0.00 -0.22 0.00 0.00 54.13 55.88 2sfa s LEU 52 Cb -0.19 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.79 2sfa s LEU 52 CO 0.08 -0.36 0.10 0.25 -1.32 0.00 0.00 176.35 175.10 2sfa h LEU 53 N 5.90 0.00 0.00 -0.68 6.46 -0.67 -3.45 115.31 122.87 2sfa h LEU 53 Ca -0.43 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.02 2sfa h LEU 53 Cb 1.21 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 2sfa h LEU 53 CO 0.77 1.04 0.00 0.61 -0.62 0.00 0.00 178.44 180.24 2sfa n GLY 54 N 1.56 -0.72 3.27 3.75 0.00 -0.99 -0.96 105.19 111.11 2sfa n GLY 54 Ca -0.16 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 2sfa n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2sfa s THR 55 N -3.00 1.66 0.24 2.61 -4.23 -1.03 -1.00 115.64 110.89 2sfa s THR 55 Ca 0.00 -1.51 -0.31 0.00 -1.18 0.00 0.00 61.69 58.69 2sfa s THR 55 Cb 0.00 -1.51 -0.13 0.00 1.34 0.00 0.00 72.50 72.19 2sfa s THR 55 CO 0.00 -0.06 1.43 -1.14 -0.54 0.00 0.00 174.62 174.31 2sfa n ARG 56 N 1.14 2.10 0.00 3.99 0.63 0.14 -0.32 116.66 124.33 2sfa n ARG 56 Ca -0.20 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 2sfa n ARG 56 Cb 0.54 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.03 2sfa n ARG 56 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2sfa n ALA 57 N 1.99 1.86 0.00 5.13 0.00 0.88 -4.78 120.51 125.59 2sfa n ALA 57 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2sfa n ALA 57 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2sfa n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2sfa n GLY 58 N 1.02 1.38 3.16 0.00 0.00 -1.04 -4.90 105.19 104.81 2sfa n GLY 58 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2sfa n GLY 58 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2sfa s THR 59 N -2.00 -0.03 -0.44 2.61 -1.32 -1.26 -0.83 115.64 112.37 2sfa s THR 59 Ca 0.00 0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.60 2sfa s THR 59 Cb 0.00 -0.48 0.14 0.00 -1.51 0.00 0.00 72.50 70.65 2sfa s THR 59 CO 0.00 0.04 0.27 -0.55 -2.21 0.00 0.00 174.62 172.17 2sfa s SER 60 N 1.14 3.40 -0.20 8.08 0.15 -0.29 -5.02 113.70 120.96 2sfa s SER 60 Ca -0.08 -2.70 -0.15 0.00 0.70 0.00 0.00 55.95 53.72 2sfa s SER 60 Cb -0.08 -0.92 0.06 0.00 -1.71 0.00 0.00 66.02 63.36 2sfa s SER 60 CO -0.09 -0.25 0.51 0.12 1.20 0.00 0.00 173.24 174.74 2sfa s PHE 61 N 0.29 -0.67 1.08 3.44 5.36 -1.26 -1.52 117.98 124.70 2sfa s PHE 61 Ca 0.20 1.49 -0.13 0.00 -0.96 0.00 0.00 56.93 57.53 2sfa s PHE 61 Cb -0.19 0.30 0.23 0.00 -0.34 0.00 0.00 43.02 43.02 2sfa s PHE 61 CO -0.03 -0.35 1.06 -1.25 -1.46 0.00 0.00 175.22 173.20 2sfa s PRO 62 N 0.92 -0.22 0.00 10.12 0.04 -1.26 -4.94 135.00 139.67 2sfa s PRO 62 Ca -0.05 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2sfa s PRO 62 Cb -0.06 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2sfa s PRO 62 CO -0.08 -3.20 0.00 0.41 0.04 0.00 0.00 177.00 174.17 2sfa n GLY 63 N -0.30 2.24 1.48 0.56 0.00 -0.35 -4.74 105.19 104.08 2sfa n GLY 63 Ca 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2sfa n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2sfa n ASN 64 N 4.43 1.00 -3.02 1.61 5.03 -1.26 -1.72 115.26 121.34 2sfa n ASN 64 Ca 0.00 -1.62 -0.16 0.00 0.87 0.00 0.00 54.58 53.68 2sfa n ASN 64 Cb 0.00 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 38.60 2sfa n ASN 64 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2sfa n ASP 65 N -2.56 -1.70 -3.88 6.41 -0.08 -1.11 -4.06 116.55 109.56 2sfa n ASP 65 Ca 0.05 -2.83 -0.10 0.00 -1.51 0.00 0.00 54.79 50.40 2sfa n ASP 65 Cb 0.23 0.63 -0.09 0.00 2.34 0.00 0.00 41.12 44.23 2sfa n ASP 65 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2sfa s TYR 66 N 0.12 0.12 0.14 -0.67 -0.85 -0.57 -3.59 117.35 112.04 2sfa s TYR 66 Ca 0.32 -0.39 -0.20 0.00 -0.52 0.00 0.00 57.07 56.29 2sfa s TYR 66 Cb 0.11 -0.08 0.05 0.00 0.38 0.00 0.00 41.96 42.43 2sfa s TYR 66 CO -0.15 -0.42 0.50 0.20 -1.52 0.00 0.00 175.55 174.16 2sfa s GLY 67 N -2.19 -0.45 -0.02 5.49 0.00 -0.03 -1.14 107.32 108.98 2sfa s GLY 67 Ca -0.04 0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.96 2sfa s GLY 67 CO -0.05 -0.07 -0.16 -2.27 0.00 0.00 0.00 173.10 170.55 2sfa s LEU 68 N -2.76 1.97 -0.12 0.66 2.96 -0.01 -1.69 118.68 119.70 2sfa s LEU 68 Ca 0.02 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2sfa s LEU 68 Cb 0.00 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.83 2sfa s LEU 68 CO -0.12 0.17 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.27 2sfa s ILE 69 N -0.19 1.74 0.00 6.68 1.01 -0.24 -0.08 121.20 130.12 2sfa s ILE 69 Ca 0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 2sfa s ILE 69 Cb -0.08 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2sfa s ILE 69 CO 0.00 0.49 0.98 -0.60 0.00 0.00 0.00 174.94 175.81 2sfa s ARG 70 N 0.90 4.56 0.17 2.79 6.06 0.57 -0.47 118.95 133.53 2sfa s ARG 70 Ca -0.07 1.42 -0.30 0.00 -2.50 0.00 0.00 55.73 54.28 2sfa s ARG 70 Cb -0.15 -3.46 -0.08 0.00 0.06 0.00 0.00 34.95 31.32 2sfa s ARG 70 CO -0.01 -0.04 1.30 -1.01 -2.50 0.00 0.00 175.30 173.03 2sfa s HIS 71 N 0.98 3.29 -0.36 5.12 3.76 -0.54 -2.47 115.29 125.08 2sfa s HIS 71 Ca 0.52 1.21 0.21 0.00 -0.15 0.00 0.00 55.06 56.85 2sfa s HIS 71 Cb -0.21 -3.58 0.24 0.00 1.11 0.00 0.00 32.58 30.14 2sfa s HIS 71 CO 0.28 -1.82 1.49 0.66 -0.85 0.00 0.00 174.74 174.50 2sfa h SER 72 N 5.71 0.00 -3.27 1.40 4.64 -1.36 -3.42 113.55 117.24 2sfa h SER 72 Ca -0.44 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.37 2sfa h SER 72 Cb 1.21 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.91 2sfa h SER 72 CO 0.79 0.10 -0.77 0.21 -0.87 0.00 0.00 176.83 176.29 2sfa s ASN 73 N -6.14 2.69 0.56 4.97 2.47 -1.26 -5.01 114.94 113.22 2sfa s ASN 73 Ca 0.05 -0.69 0.25 0.00 0.42 0.00 0.00 52.86 52.88 2sfa s ASN 73 Cb 0.06 -0.58 1.55 0.00 -1.45 0.00 0.00 41.25 40.83 2sfa s ASN 73 CO 0.70 -0.28 2.15 0.00 -3.72 0.00 0.00 177.10 175.95 2sfa h ALA 74 N 8.25 1.87 0.00 1.71 0.00 -1.96 -0.33 119.26 128.80 2sfa h ALA 74 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2sfa h ALA 74 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2sfa h ALA 74 CO 0.33 -0.16 0.00 0.77 0.00 0.00 0.00 179.25 180.19 2sfa h SER 75 N 0.00 0.00 0.43 0.00 0.02 -1.98 -2.20 113.55 109.82 2sfa h SER 75 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2sfa h SER 75 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2sfa h SER 75 CO -0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 176.83 175.58 2sfa n ALA 76 N -1.94 2.75 -2.81 3.77 0.00 -0.14 -4.57 120.51 117.57 2sfa n ALA 76 Ca 0.01 -0.25 -0.44 0.00 0.00 0.00 0.00 53.44 52.77 2sfa n ALA 76 Cb 0.24 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2sfa n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2sfa n ALA 77 N -1.06 3.77 -2.66 0.00 0.00 -0.83 -0.85 120.51 118.89 2sfa n ALA 77 Ca 0.13 -4.11 -0.42 0.00 0.00 0.00 0.00 53.44 49.05 2sfa n ALA 77 Cb 0.28 -3.25 -0.03 0.00 0.00 0.00 0.00 19.45 16.45 2sfa n ALA 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2sfa s ASP 78 N 3.31 7.01 -0.23 0.00 -1.08 -1.20 -4.96 116.67 119.52 2sfa s ASP 78 Ca 0.47 1.25 -0.02 0.00 -0.52 0.00 0.00 52.55 53.73 2sfa s ASP 78 Cb -0.00 -2.49 0.07 0.00 -1.46 0.00 0.00 42.92 39.03 2sfa s ASP 78 CO 0.03 -0.53 2.39 0.61 0.52 0.00 0.00 175.17 178.19 2sfa n GLY 79 N 3.45 3.64 3.37 2.66 0.00 -1.26 -4.45 105.19 112.60 2sfa n GLY 79 Ca 0.08 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 2sfa n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2sfa s ARG 80 N -1.00 1.50 -0.06 1.61 0.52 -1.26 -2.44 118.95 117.81 2sfa s ARG 80 Ca 0.35 -1.81 0.05 0.00 -0.52 0.00 0.00 55.73 53.80 2sfa s ARG 80 Cb 0.23 -0.59 -0.02 0.00 0.52 0.00 0.00 34.95 35.09 2sfa s ARG 80 CO -0.05 -0.21 -0.21 0.08 0.02 0.00 0.00 175.30 174.93 2sfa s VAL 81 N -3.50 2.43 0.04 3.52 1.01 -0.20 -0.40 120.40 123.31 2sfa s VAL 81 Ca 0.35 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 2sfa s VAL 81 Cb 0.08 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2sfa s VAL 81 CO 0.13 0.57 0.87 -0.47 0.00 0.00 0.00 175.10 176.21 2sfa s TYR 82 N -0.30 3.72 -2.78 5.22 5.04 -0.20 -0.41 117.35 127.64 2sfa s TYR 82 Ca 0.01 1.60 0.25 0.00 -2.44 0.00 0.00 57.07 56.49 2sfa s TYR 82 Cb -0.13 -2.97 0.48 0.00 0.35 0.00 0.00 41.96 39.69 2sfa s TYR 82 CO 0.03 0.15 1.42 1.28 -1.34 0.00 0.00 175.55 177.09 2sfa n LEU 83 N 3.23 2.56 0.00 6.97 4.77 0.13 -4.80 117.00 129.86 2sfa n LEU 83 Ca 0.01 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2sfa n LEU 83 Cb 0.50 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2sfa n LEU 83 CO 0.50 0.45 0.00 -1.22 -1.33 0.00 0.00 177.39 175.78 2sfa n TYR 84 N 0.99 0.00 -0.60 -1.77 4.01 -1.26 -4.53 117.16 114.00 2sfa n TYR 84 Ca 0.16 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.94 2sfa n TYR 84 Cb 0.52 -0.79 0.06 0.00 -0.31 0.00 0.00 39.34 38.81 2sfa n TYR 84 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2sfa n ASN 85 N -0.34 1.94 0.00 7.72 2.04 -1.26 -4.92 115.26 120.43 2sfa n ASN 85 Ca 0.00 -2.40 0.00 0.00 -0.44 0.00 0.00 54.58 51.74 2sfa n ASN 85 Cb 0.17 -0.19 0.00 0.00 -2.53 0.00 0.00 39.78 37.23 2sfa n ASN 85 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2sfa n GLY 86 N -0.84 0.44 3.71 4.83 0.00 -1.26 -5.07 105.19 106.99 2sfa n GLY 86 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2sfa n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2sfa s SER 87 N -2.79 4.83 0.09 1.61 0.01 -1.26 -5.01 113.70 111.18 2sfa s SER 87 Ca 0.00 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 56.75 2sfa s SER 87 Cb 0.00 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 2sfa s SER 87 CO 0.00 -0.06 -0.14 -0.31 0.41 0.00 0.00 173.24 173.14 2sfa s TYR 88 N -2.29 1.24 -0.14 2.43 1.51 -1.26 0.19 117.35 119.04 2sfa s TYR 88 Ca 0.33 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2sfa s TYR 88 Cb -0.06 -0.69 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 2sfa s TYR 88 CO 0.22 0.07 -0.15 0.50 -1.11 0.00 0.00 175.55 175.08 2sfa s ARG 89 N -2.05 3.25 0.06 -0.62 6.06 0.45 -4.93 118.95 121.17 2sfa s ARG 89 Ca 0.01 -0.74 -0.30 0.00 -2.50 0.00 0.00 55.73 52.20 2sfa s ARG 89 Cb -0.08 -2.60 -0.05 0.00 0.06 0.00 0.00 34.95 32.28 2sfa s ARG 89 CO 0.02 0.09 1.16 0.34 -2.50 0.00 0.00 175.30 174.41 2sfa s ASP 90 N 0.63 7.13 -0.21 -2.12 2.15 -1.26 -1.03 116.67 121.96 2sfa s ASP 90 Ca -0.08 1.97 -0.17 0.00 0.43 0.00 0.00 52.55 54.70 2sfa s ASP 90 Cb -0.16 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.85 2sfa s ASP 90 CO 0.03 -0.42 0.44 -0.63 -0.17 0.00 0.00 175.17 174.42 2sfa s ILE 91 N 0.95 5.16 -0.47 4.11 -1.09 -1.02 -4.63 121.20 124.21 2sfa s ILE 91 Ca 0.57 0.79 0.14 0.00 -2.23 0.00 0.00 60.65 59.92 2sfa s ILE 91 Cb -0.28 -3.77 -0.18 0.00 -1.58 0.00 0.00 42.46 36.65 2sfa s ILE 91 CO 0.29 0.21 0.52 0.35 -1.23 0.00 0.00 174.94 175.08 2sfa n THR 92 N 4.52 0.00 -3.72 2.92 -2.24 0.18 -4.81 114.28 111.13 2sfa n THR 92 Ca -0.07 -0.22 -0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2sfa n THR 92 Cb 0.51 0.74 0.01 0.00 -2.10 0.00 0.00 70.33 69.48 2sfa n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2sfa n GLY 93 N 1.44 0.82 3.43 3.38 0.00 -1.19 -5.01 105.19 108.06 2sfa n GLY 93 Ca 0.01 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 2sfa n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2sfa s ALA 94 N -1.41 2.55 0.30 4.61 0.00 -1.26 -0.66 121.76 125.88 2sfa s ALA 94 Ca 0.10 -1.69 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 2sfa s ALA 94 Cb -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2sfa s ALA 94 CO 0.01 0.37 0.48 0.41 0.00 0.00 0.00 175.76 177.04 2sfa n GLY 95 N 0.03 1.92 3.96 0.00 0.00 -0.51 -4.83 105.19 105.77 2sfa n GLY 95 Ca -0.11 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 2sfa n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sfa s ASN 96 N -2.75 6.14 0.25 1.61 2.20 -1.26 -4.61 114.94 116.51 2sfa s ASN 96 Ca 0.20 0.17 0.07 0.00 -0.94 0.00 0.00 52.86 52.36 2sfa s ASN 96 Cb -0.02 -1.71 -0.04 0.00 -2.00 0.00 0.00 41.25 37.49 2sfa s ASN 96 CO 0.15 -0.34 0.19 0.00 -2.94 0.00 0.00 177.10 174.16 2sfa s ALA 97 N -2.24 3.59 -0.04 3.54 0.00 -1.26 -5.03 121.76 120.32 2sfa s ALA 97 Ca 0.41 -1.41 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 2sfa s ALA 97 Cb -0.09 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.75 2sfa s ALA 97 CO 0.33 0.27 0.40 1.52 0.00 0.00 0.00 175.76 178.28 2sfa s TYR 98 N -2.11 -0.31 0.14 0.00 -0.85 -1.26 -5.09 117.35 107.87 2sfa s TYR 98 Ca 0.33 0.54 -0.31 0.00 -0.52 0.00 0.00 57.07 57.10 2sfa s TYR 98 Cb -0.08 0.17 -0.10 0.00 0.38 0.00 0.00 41.96 42.33 2sfa s TYR 98 CO 0.25 -0.42 1.63 0.08 -1.52 0.00 0.00 175.55 175.57 2sfa s VAL 99 N -1.14 2.65 0.00 -3.49 1.01 -1.26 -1.00 120.40 117.16 2sfa s VAL 99 Ca -0.12 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2sfa s VAL 99 Cb -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2sfa s VAL 99 CO 0.05 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2sfa n GLY 100 N 3.88 0.21 3.77 4.51 0.00 -0.05 -5.01 105.19 112.50 2sfa n GLY 100 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2sfa n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2sfa s GLN 101 N -1.00 4.36 -0.16 1.61 0.74 -0.17 -4.74 119.66 120.29 2sfa s GLN 101 Ca 0.00 2.14 -0.16 0.00 0.05 0.00 0.00 55.36 57.39 2sfa s GLN 101 Cb 0.00 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 2sfa s GLN 101 CO 0.00 -0.16 0.39 -0.08 -0.55 0.00 0.00 175.29 174.90 2sfa s THR 102 N -1.16 5.23 0.21 -0.34 -1.32 -1.26 -0.74 115.64 116.25 2sfa s THR 102 Ca 0.49 0.74 0.05 0.00 -1.21 0.00 0.00 61.69 61.76 2sfa s THR 102 Cb -0.38 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 66.83 2sfa s THR 102 CO 0.50 0.32 -0.07 0.68 -2.21 0.00 0.00 174.62 173.84 2sfa s VAL 103 N 0.83 1.32 -0.01 5.08 -7.23 -0.04 -4.74 120.40 115.61 2sfa s VAL 103 Ca 0.20 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2sfa s VAL 103 Cb -0.14 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2sfa s VAL 103 CO 0.07 -0.51 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.10 2sfa s GLN 104 N -3.76 1.22 -0.07 4.82 -0.21 -0.07 -0.50 119.66 121.09 2sfa s GLN 104 Ca 0.24 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 55.09 2sfa s GLN 104 Cb 0.03 -1.19 -0.00 0.00 1.00 0.00 0.00 33.01 32.85 2sfa s GLN 104 CO 0.06 0.32 -0.23 0.50 -2.12 0.00 0.00 175.29 173.83 2sfa s ARG 105 N -0.43 2.62 -0.19 2.91 3.52 -0.14 -0.60 118.95 126.64 2sfa s ARG 105 Ca 0.06 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.81 2sfa s ARG 105 Cb -0.06 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.22 2sfa s ARG 105 CO -0.00 0.26 -0.10 0.45 -0.81 0.00 0.00 175.30 175.09 2sfa s SER 106 N 0.13 3.96 0.09 -2.12 0.15 -0.05 -1.29 113.70 114.57 2sfa s SER 106 Ca -0.11 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 2sfa s SER 106 Cb -0.15 -1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 2sfa s SER 106 CO 0.06 0.03 0.13 -0.83 1.20 0.00 0.00 173.24 173.83 2sfa s GLY 107 N 1.14 0.32 0.06 9.45 0.00 -0.83 -2.55 107.32 114.91 2sfa s GLY 107 Ca 0.01 -0.89 0.27 0.00 0.00 0.00 0.00 44.72 44.11 2sfa s GLY 107 CO -0.03 -1.00 1.73 -1.14 0.00 0.00 0.00 173.10 172.66 2sfa n SER 108 N -0.03 0.36 -0.08 1.64 3.41 -0.88 -1.65 113.62 116.38 2sfa n SER 108 Ca -0.13 0.33 -0.22 0.00 -0.26 0.00 0.00 58.87 58.59 2sfa n SER 108 Cb 0.62 -0.35 -0.12 0.00 -0.26 0.00 0.00 64.21 64.10 2sfa n SER 108 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2sfa n THR 109 N -1.74 1.59 0.05 6.66 -1.04 -1.26 -4.68 114.28 113.85 2sfa n THR 109 Ca 0.06 -0.18 0.05 0.00 -2.04 0.00 0.00 64.05 61.94 2sfa n THR 109 Cb 0.37 -1.97 0.10 0.00 -1.82 0.00 0.00 70.33 67.01 2sfa n THR 109 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2sfa n THR 110 N -4.22 0.62 -4.32 12.58 -2.24 -1.25 -5.06 114.28 110.39 2sfa n THR 110 Ca -0.34 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2sfa n THR 110 Cb 0.77 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 2sfa n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2sfa n GLY 111 N 0.43 0.49 3.68 3.38 0.00 -0.66 -4.76 105.19 107.75 2sfa n GLY 111 Ca 0.08 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 2sfa n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2sfa s LEU 112 N 0.00 4.15 0.09 0.99 2.96 -1.26 -1.97 118.68 123.64 2sfa s LEU 112 Ca 0.00 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 2sfa s LEU 112 Cb 0.00 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2sfa s LEU 112 CO 0.00 0.05 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.98 2sfa s HIS 113 N 0.96 0.99 0.26 5.38 3.76 -0.41 -4.99 115.29 121.24 2sfa s HIS 113 Ca 0.11 -0.65 0.05 0.00 -0.15 0.00 0.00 55.06 54.42 2sfa s HIS 113 Cb -0.13 -0.55 -0.06 0.00 1.11 0.00 0.00 32.58 32.95 2sfa s HIS 113 CO 0.04 -0.03 -0.01 -1.54 -0.85 0.00 0.00 174.74 172.35 2sfa s SER 114 N -2.32 2.22 0.00 1.40 1.04 -1.26 -0.97 113.70 113.81 2sfa s SER 114 Ca 0.03 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2sfa s SER 114 Cb -0.04 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2sfa s SER 114 CO -0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2sfa n GLY 115 N -0.51 1.28 3.04 7.32 0.00 0.35 -4.70 105.19 111.96 2sfa n GLY 115 Ca -0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2sfa n GLY 115 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2sfa s ARG 116 N 1.91 0.46 -0.09 1.61 3.52 -1.26 -0.86 118.95 124.24 2sfa s ARG 116 Ca 0.00 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 2sfa s ARG 116 Cb 0.00 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.19 2sfa s ARG 116 CO 0.00 0.02 1.25 0.08 -0.81 0.00 0.00 175.30 175.84 2sfa s VAL 117 N -1.40 4.20 -0.58 7.11 1.01 0.08 -2.06 120.40 128.75 2sfa s VAL 117 Ca -0.12 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.45 2sfa s VAL 117 Cb -0.10 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2sfa s VAL 117 CO -0.00 -0.05 0.46 0.35 0.00 0.00 0.00 175.10 175.86 2sfa n THR 118 N 4.89 0.00 -3.59 3.92 -2.24 -0.43 -0.87 114.28 115.97 2sfa n THR 118 Ca 0.12 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.49 2sfa n THR 118 Cb 0.45 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 2sfa n THR 118 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2sfa s GLY 119 N -1.44 -0.35 0.36 3.38 0.00 -1.04 -4.96 107.32 103.26 2sfa s GLY 119 Ca 0.05 1.15 0.03 0.00 0.00 0.00 0.00 44.72 45.95 2sfa s GLY 119 CO 0.26 0.36 0.10 1.08 0.00 0.00 0.00 173.10 174.89 2sfa s LEU 120 N -2.47 2.01 -1.46 0.66 1.43 -1.26 -0.65 118.68 116.94 2sfa s LEU 120 Ca 0.09 -1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 51.64 2sfa s LEU 120 Cb -0.00 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 46.04 2sfa s LEU 120 CO -0.05 -0.78 0.33 0.59 0.23 0.00 0.00 176.35 176.67 2sfa n ASN 121 N -0.95 -5.18 -4.85 2.29 5.03 -1.09 -4.86 115.26 105.65 2sfa n ASN 121 Ca -0.04 -0.15 -0.32 0.00 0.87 0.00 0.00 54.58 54.94 2sfa n ASN 121 Cb 0.66 -4.26 -0.05 0.00 -1.02 0.00 0.00 39.78 35.11 2sfa n ASN 121 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2sfa s ALA 122 N -2.99 3.17 0.01 5.41 0.00 0.43 -4.57 121.76 123.22 2sfa s ALA 122 Ca 0.20 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.33 2sfa s ALA 122 Cb -0.09 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2sfa s ALA 122 CO 0.24 -0.01 -0.20 0.99 0.00 0.00 0.00 175.76 176.79 2sfa s THR 123 N -2.36 1.58 0.02 0.00 2.01 -1.26 -0.72 115.64 114.90 2sfa s THR 123 Ca 0.57 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.60 2sfa s THR 123 Cb -0.10 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 2sfa s THR 123 CO 0.25 0.31 -0.13 0.54 -0.69 0.00 0.00 174.62 174.90 2sfa s VAL 124 N -0.64 0.98 -0.26 3.82 0.11 0.77 -5.00 120.40 120.19 2sfa s VAL 124 Ca 0.07 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.36 2sfa s VAL 124 Cb -0.08 -0.87 0.06 0.00 -1.53 0.00 0.00 36.38 33.95 2sfa s VAL 124 CO 0.01 0.08 -0.10 0.21 -3.33 0.00 0.00 175.10 171.97 2sfa s ASN 125 N -0.81 4.49 0.00 3.54 3.04 -1.26 -0.84 114.94 123.09 2sfa s ASN 125 Ca 0.02 -1.40 0.21 0.00 0.04 0.00 0.00 52.86 51.73 2sfa s ASN 125 Cb -0.07 -1.56 0.70 0.00 -1.54 0.00 0.00 41.25 38.78 2sfa s ASN 125 CO 0.01 -0.20 1.53 -1.22 -3.04 0.00 0.00 177.10 174.17 2sfa n TYR 126 N 4.44 0.24 -0.03 0.43 4.01 -0.18 -5.01 117.16 121.05 2sfa n TYR 126 Ca -0.14 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2sfa n TYR 126 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.45 2sfa n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2sfa n GLY 127 N 1.17 -1.60 2.39 2.72 0.00 -1.26 -4.82 105.19 103.79 2sfa n GLY 127 Ca 0.16 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 2sfa n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sfa n GLY 128 N -1.77 -0.29 2.09 -0.02 0.00 -1.26 -0.66 105.19 103.27 2sfa n GLY 128 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2sfa n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sfa n GLY 129 N -0.77 1.26 3.13 -0.02 0.00 -1.26 -4.99 105.19 102.55 2sfa n GLY 129 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2sfa n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2sfa n ASP 130 N 0.00 3.72 -4.63 1.61 8.00 0.16 -4.93 116.55 120.49 2sfa n ASP 130 Ca 0.00 -2.80 -0.35 0.00 0.71 0.00 0.00 54.79 52.35 2sfa n ASP 130 Cb 0.00 -1.57 -0.10 0.00 -0.02 0.00 0.00 41.12 39.43 2sfa n ASP 130 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2sfa s ILE 131 N 4.88 4.84 -0.09 0.53 1.01 -1.26 -1.01 121.20 130.10 2sfa s ILE 131 Ca 0.54 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 61.20 2sfa s ILE 131 Cb 0.10 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2sfa s ILE 131 CO 0.03 0.44 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 2sfa s VAL 132 N 0.54 2.98 0.37 2.92 1.01 -0.02 -1.22 120.40 126.98 2sfa s VAL 132 Ca 0.04 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2sfa s VAL 132 Cb -0.13 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2sfa s VAL 132 CO 0.01 0.56 0.13 -0.94 0.00 0.00 0.00 175.10 174.86 2sfa s SER 133 N -0.17 2.42 -1.28 3.32 1.04 -0.70 -0.16 113.70 118.18 2sfa s SER 133 Ca -0.01 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.81 2sfa s SER 133 Cb -0.13 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2sfa s SER 133 CO 0.03 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2sfa n GLY 134 N -0.80 0.09 3.89 7.32 0.00 -0.81 -4.76 105.19 110.11 2sfa n GLY 134 Ca -0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2sfa n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2sfa s LEU 135 N -3.97 3.86 -0.14 0.99 1.43 0.10 -4.63 118.68 116.31 2sfa s LEU 135 Ca 0.00 0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 53.83 2sfa s LEU 135 Cb 0.00 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2sfa s LEU 135 CO 0.00 -0.37 0.71 -0.63 0.23 0.00 0.00 176.35 176.29 2sfa s ILE 136 N -2.36 4.99 -0.06 -0.59 1.01 -0.17 -0.43 121.20 123.59 2sfa s ILE 136 Ca 0.48 1.40 -0.07 0.00 0.00 0.00 0.00 60.65 62.46 2sfa s ILE 136 Cb -0.10 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2sfa s ILE 136 CO 0.33 0.14 0.20 -1.58 0.00 0.00 0.00 174.94 174.03 2sfa s GLN 137 N 1.58 3.52 0.21 2.79 0.74 0.17 -1.20 119.66 127.47 2sfa s GLN 137 Ca 0.34 -0.10 -0.04 0.00 0.05 0.00 0.00 55.36 55.61 2sfa s GLN 137 Cb -0.17 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 2sfa s GLN 137 CO 0.14 0.73 0.23 0.95 -0.55 0.00 0.00 175.29 176.78 2sfa s THR 138 N -1.14 0.01 -0.53 -0.34 -4.23 -0.15 -1.31 115.64 107.95 2sfa s THR 138 Ca 0.21 -1.81 0.16 0.00 -1.18 0.00 0.00 61.69 59.06 2sfa s THR 138 Cb -0.13 -2.38 0.70 0.00 1.34 0.00 0.00 72.50 72.03 2sfa s THR 138 CO 0.10 -0.03 1.62 -0.46 -0.54 0.00 0.00 174.62 175.30 2sfa n ASN 139 N -0.29 4.88 -4.72 3.99 0.23 -0.87 -1.94 115.26 116.54 2sfa n ASN 139 Ca 0.00 -2.76 -0.42 0.00 -0.53 0.00 0.00 54.58 50.88 2sfa n ASN 139 Cb 0.65 -0.60 -0.04 0.00 -2.08 0.00 0.00 39.78 37.71 2sfa n ASN 139 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2sfa s VAL 140 N -2.42 4.55 0.73 3.53 1.01 -1.26 -4.61 120.40 121.92 2sfa s VAL 140 Ca 0.49 1.96 -0.11 0.00 0.00 0.00 0.00 61.98 64.32 2sfa s VAL 140 Cb 0.36 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.51 2sfa s VAL 140 CO 0.17 0.23 1.09 0.00 0.00 0.00 0.00 175.10 176.58 2sfa s ALA 142 N -3.23 -1.72 0.15 0.00 0.00 -1.26 -4.92 121.76 110.78 2sfa s ALA 142 Ca 0.59 0.85 0.03 0.00 0.00 0.00 0.00 51.96 53.42 2sfa s ALA 142 Cb -0.12 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 2sfa s ALA 142 CO 0.53 -0.66 -0.06 -1.21 0.00 0.00 0.00 175.76 174.37 2sfa s GLU 143 N -3.01 1.05 0.18 0.00 2.02 -1.26 -4.44 118.70 113.24 2sfa s GLU 143 Ca 0.00 -1.47 -0.33 0.00 0.02 0.00 0.00 54.97 53.19 2sfa s GLU 143 Cb -0.01 -0.45 -0.14 0.00 0.10 0.00 0.00 34.13 33.63 2sfa s GLU 143 CO -0.07 -0.01 1.47 -2.30 0.02 0.00 0.00 175.26 174.37 2sfa n PRO 144 N -0.20 1.94 0.00 0.39 -0.02 -1.26 -0.93 135.00 134.93 2sfa n PRO 144 Ca -0.09 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2sfa n PRO 144 Cb 0.62 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2sfa n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2sfa n GLY 145 N 2.84 1.47 0.22 -1.23 0.00 -1.26 -4.77 105.19 102.46 2sfa n GLY 145 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2sfa n GLY 145 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2sfa h ASP 146 N 1.04 0.00 -2.35 1.61 3.32 -1.36 -3.14 116.42 115.54 2sfa h ASP 146 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2sfa h ASP 146 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 2sfa h ASP 146 CO 0.00 0.00 0.14 -1.20 -1.72 0.00 0.00 179.24 176.46 2sfa n SER 147 N -3.05 1.26 0.00 6.45 7.64 -1.26 -1.53 113.62 123.14 2sfa n SER 147 Ca 0.04 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2sfa n SER 147 Cb 0.49 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2sfa n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2sfa n GLY 148 N 1.39 2.24 3.66 0.23 0.00 0.13 -0.73 105.19 112.11 2sfa n GLY 148 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2sfa n GLY 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2sfa s GLY 149 N -1.99 1.56 0.08 -0.02 0.00 -0.58 -2.01 107.32 104.35 2sfa s GLY 149 Ca 0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 44.72 44.02 2sfa s GLY 149 CO 0.00 0.23 0.89 0.00 0.00 0.00 0.00 173.10 174.22 2sfa s ALA 150 N -2.94 3.28 -0.20 3.20 0.00 -1.06 -0.86 121.76 123.19 2sfa s ALA 150 Ca 0.66 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 2sfa s ALA 150 Cb -0.18 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2sfa s ALA 150 CO 0.58 -0.01 -0.11 -1.17 0.00 0.00 0.00 175.76 175.05 2sfa s LEU 151 N 0.04 2.58 0.13 0.00 2.96 -0.43 -0.87 118.68 123.09 2sfa s LEU 151 Ca 0.44 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 2sfa s LEU 151 Cb -0.22 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 2sfa s LEU 151 CO 0.27 0.00 0.20 0.72 -1.32 0.00 0.00 176.35 176.22 2sfa s PHE 152 N 1.31 0.42 -0.15 5.38 -0.71 0.24 -0.53 117.98 123.93 2sfa s PHE 152 Ca 0.04 -0.81 -0.04 0.00 -1.04 0.00 0.00 56.93 55.08 2sfa s PHE 152 Cb -0.14 -0.15 0.05 0.00 -1.21 0.00 0.00 43.02 41.57 2sfa s PHE 152 CO -0.06 -0.61 0.06 0.00 -1.34 0.00 0.00 175.22 173.27 2sfa s ALA 153 N -3.95 0.60 0.00 1.99 0.00 0.01 -0.90 121.76 119.52 2sfa s ALA 153 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2sfa s ALA 153 Cb 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2sfa s ALA 153 CO -0.03 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.10 2sfa n GLY 154 N 5.20 2.98 1.33 0.00 0.00 -1.26 -1.28 105.19 112.16 2sfa n GLY 154 Ca -0.07 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.84 2sfa n GLY 154 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2sfa n SER 155 N 7.96 4.07 -4.50 1.61 7.64 -1.26 -4.96 113.62 124.19 2sfa n SER 155 Ca 0.00 -2.15 -0.35 0.00 1.01 0.00 0.00 58.87 57.38 2sfa n SER 155 Cb 0.00 -0.49 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 2sfa n SER 155 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2sfa s THR 156 N -1.27 4.24 0.20 0.44 2.01 -0.40 0.50 115.64 121.35 2sfa s THR 156 Ca 0.47 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 2sfa s THR 156 Cb 0.26 -2.93 -0.08 0.00 0.01 0.00 0.00 72.50 69.77 2sfa s THR 156 CO 0.28 0.42 1.09 0.00 -0.69 0.00 0.00 174.62 175.72 2sfa s ALA 157 N 0.95 3.37 0.00 7.40 0.00 0.16 -0.80 121.76 132.84 2sfa s ALA 157 Ca 0.02 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2sfa s ALA 157 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2sfa s ALA 157 CO 0.02 -0.18 0.00 1.28 0.00 0.00 0.00 175.76 176.89 2sfa n LEU 158 N 2.12 2.42 0.00 0.00 4.77 0.31 -1.42 117.00 125.19 2sfa n LEU 158 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2sfa n LEU 158 Cb 0.46 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2sfa n LEU 158 CO 0.54 0.40 0.60 0.61 -1.33 0.00 0.00 177.39 178.20 2sfa n GLY 159 N 3.20 0.86 3.06 -0.72 0.00 -0.78 -1.30 105.19 109.52 2sfa n GLY 159 Ca 0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 2sfa n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2sfa s LEU 160 N 0.00 1.75 0.09 0.99 1.43 -0.01 -1.31 118.68 121.63 2sfa s LEU 160 Ca 0.17 -0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 2sfa s LEU 160 Cb -0.03 -0.87 -0.10 0.00 0.03 0.00 0.00 46.19 45.22 2sfa s LEU 160 CO 0.06 0.07 1.84 -0.89 0.23 0.00 0.00 176.35 177.67 2sfa s THR 161 N 0.44 2.76 -0.15 5.49 2.01 -0.04 -0.61 115.64 125.55 2sfa s THR 161 Ca -0.11 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2sfa s THR 161 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2sfa s THR 161 CO 0.03 -0.00 -0.26 -0.24 -0.69 0.00 0.00 174.62 173.46 2sfa n SER 162 N 6.22 1.75 0.00 3.53 2.88 0.08 0.17 113.62 128.26 2sfa n SER 162 Ca 0.18 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2sfa n SER 162 Cb 0.39 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2sfa n SER 162 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2sfa n GLY 163 N 1.53 -1.04 0.00 0.46 0.00 -1.14 -4.77 105.19 100.22 2sfa n GLY 163 Ca -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2sfa n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sfa n GLY 164 N 0.00 -0.67 3.59 -0.02 0.00 -1.26 -0.59 105.19 106.24 2sfa n GLY 164 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 2sfa n GLY 164 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2sfa s SER 165 N -4.00 3.96 0.01 1.61 1.04 -0.47 -4.98 113.70 110.87 2sfa s SER 165 Ca 0.00 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2sfa s SER 165 Cb 0.00 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2sfa s SER 165 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2sfa n GLY 166 N -0.89 -1.63 1.05 7.32 0.00 -1.26 -1.62 105.19 108.17 2sfa n GLY 166 Ca -0.05 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 2sfa n GLY 166 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2sfa n ASN 167 N 0.21 -0.55 -0.47 1.61 2.04 -1.11 -4.81 115.26 112.17 2sfa n ASN 167 Ca 0.00 -1.51 0.09 0.00 -0.44 0.00 0.00 54.58 52.72 2sfa n ASN 167 Cb 0.00 0.95 0.35 0.00 -2.53 0.00 0.00 39.78 38.55 2sfa n ASN 167 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2sfa n ARG 169 N 0.18 0.58 0.01 0.00 1.74 -1.26 -4.63 116.66 113.28 2sfa n ARG 169 Ca 0.14 0.45 0.11 0.00 -0.77 0.00 0.00 57.85 57.78 2sfa n ARG 169 Cb 0.28 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 2sfa n ARG 169 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2sfa n THR 170 N -4.31 0.10 0.00 0.55 -2.24 -1.25 -5.10 114.28 102.02 2sfa n THR 170 Ca -0.40 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2sfa n THR 170 Cb 0.77 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 2sfa n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2sfa n GLY 171 N 1.33 2.23 0.41 3.38 0.00 -0.87 -4.96 105.19 106.69 2sfa n GLY 171 Ca -0.01 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 2sfa n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sfa n GLY 172 N 1.61 1.57 3.00 -0.02 0.00 -1.23 -2.75 105.19 107.37 2sfa n GLY 172 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 2sfa n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2sfa s THR 173 N -2.72 0.95 0.12 2.61 2.01 -0.64 -4.33 115.64 113.64 2sfa s THR 173 Ca 0.02 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.72 2sfa s THR 173 Cb -0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2sfa s THR 173 CO 0.01 0.31 -0.21 0.42 -0.69 0.00 0.00 174.62 174.46 2sfa s THR 174 N 0.60 1.82 -0.07 -0.82 -4.23 -0.82 -1.36 115.64 110.76 2sfa s THR 174 Ca -0.11 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2sfa s THR 174 Cb -0.14 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 2sfa s THR 174 CO 0.02 -0.09 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.45 2sfa s PHE 175 N -1.32 2.58 0.04 3.99 0.40 0.25 -0.98 117.98 122.93 2sfa s PHE 175 Ca 0.09 -0.60 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 2sfa s PHE 175 Cb -0.09 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 2sfa s PHE 175 CO 0.05 -0.14 -0.18 -0.06 0.70 0.00 0.00 175.22 175.60 2sfa s PHE 176 N -0.16 1.54 -0.23 0.36 0.40 -0.34 -0.74 117.98 118.82 2sfa s PHE 176 Ca -0.03 -0.36 -0.24 0.00 -0.60 0.00 0.00 56.93 55.71 2sfa s PHE 176 Cb -0.14 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 2sfa s PHE 176 CO 0.04 0.06 0.79 -1.14 0.70 0.00 0.00 175.22 175.67 2sfa s GLN 177 N -1.12 4.18 0.05 0.44 2.00 0.22 -1.00 119.66 124.44 2sfa s GLN 177 Ca 0.05 0.87 -0.34 0.00 -2.00 0.00 0.00 55.36 53.94 2sfa s GLN 177 Cb -0.08 -3.63 -0.13 0.00 0.80 0.00 0.00 33.01 29.96 2sfa s GLN 177 CO 0.01 -0.47 1.72 -2.30 -0.50 0.00 0.00 175.29 173.75 2sfa n PRO 178 N 5.83 2.19 -0.09 1.67 -0.02 -1.26 -0.83 135.00 142.49 2sfa n PRO 178 Ca 0.04 0.79 -0.02 0.00 -2.02 0.00 0.00 63.50 62.30 2sfa n PRO 178 Cb 0.48 -2.60 0.23 0.00 -0.02 0.00 0.00 33.50 31.58 2sfa n PRO 178 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2sfa h VAL 179 N 4.44 1.21 -0.46 -1.45 3.04 -1.50 -3.14 116.25 118.38 2sfa h VAL 179 Ca -0.46 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.43 2sfa h VAL 179 Cb 1.26 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 2sfa h VAL 179 CO 0.92 0.29 0.30 0.71 -1.01 0.00 0.00 177.57 178.77 2sfa h THR 180 N 0.71 1.12 -0.63 3.17 1.35 -1.85 -1.34 112.91 115.43 2sfa h THR 180 Ca 0.16 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2sfa h THR 180 Cb 0.30 0.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 2sfa h THR 180 CO 0.00 0.12 0.32 -0.08 -0.25 0.00 0.00 175.52 175.63 2sfa h GLU 181 N 0.63 0.89 -0.03 4.72 4.81 -1.95 -1.55 114.58 122.10 2sfa h GLU 181 Ca 0.17 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2sfa h GLU 181 Cb -0.06 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 2sfa h GLU 181 CO -0.04 0.68 -0.01 0.00 -0.73 0.00 0.00 179.01 178.91 2sfa h ALA 182 N 1.46 0.05 -0.78 2.92 0.00 -1.48 -1.22 119.26 120.21 2sfa h ALA 182 Ca 0.22 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2sfa h ALA 182 Cb 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2sfa h ALA 182 CO -0.03 -0.25 0.45 -0.07 0.00 0.00 0.00 179.25 179.35 2sfa h LEU 183 N -0.29 0.67 -0.02 0.00 3.38 -1.10 -2.27 115.31 115.67 2sfa h LEU 183 Ca 0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2sfa h LEU 183 Cb 0.40 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2sfa h LEU 183 CO 0.00 0.41 0.01 0.28 0.09 0.00 0.00 178.44 179.23 2sfa h SER 184 N 0.80 0.03 -1.00 -0.43 0.02 -1.20 0.89 113.55 112.65 2sfa h SER 184 Ca 0.36 -0.13 0.14 0.00 -0.84 0.00 0.00 61.79 61.32 2sfa h SER 184 Cb 0.26 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.70 2sfa h SER 184 CO -0.21 0.15 0.62 0.00 -1.14 0.00 0.00 176.83 176.25 2sfa h ALA 185 N 0.88 1.59 -0.02 3.77 0.00 -0.75 -2.93 119.26 121.80 2sfa h ALA 185 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2sfa h ALA 185 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2sfa h ALA 185 CO -0.00 0.13 -0.14 0.66 0.00 0.00 0.00 179.25 179.90 2sfa n TYR 186 N -4.65 0.00 -3.40 0.00 4.01 -0.90 -4.99 117.16 107.23 2sfa n TYR 186 Ca 0.20 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.75 2sfa n TYR 186 Cb 0.42 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.52 2sfa n TYR 186 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2sfa n GLY 187 N 1.03 -0.29 3.56 2.72 0.00 0.23 -5.00 105.19 107.44 2sfa n GLY 187 Ca 0.08 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2sfa n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2sfa s VAL 188 N -3.27 3.08 0.10 1.61 -7.23 -0.72 -4.05 120.40 109.93 2sfa s VAL 188 Ca 0.46 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 2sfa s VAL 188 Cb -0.20 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 2sfa s VAL 188 CO 0.61 -0.23 -0.14 -0.94 -0.31 0.00 0.00 175.10 174.09 2sfa s SER 189 N -3.16 1.85 0.19 4.85 1.04 -0.50 -4.67 113.70 113.30 2sfa s SER 189 Ca 0.27 -0.74 -0.31 0.00 0.48 0.00 0.00 55.95 55.65 2sfa s SER 189 Cb -0.07 -0.06 -0.10 0.00 0.10 0.00 0.00 66.02 65.89 2sfa s SER 189 CO 0.16 -0.13 1.53 -0.63 0.98 0.00 0.00 173.24 175.15 2sfa s ILE 190 N -1.86 2.65 -2.00 -1.02 -1.09 -1.26 -1.23 121.20 115.39 2sfa s ILE 190 Ca 0.05 0.48 0.28 0.00 -2.23 0.00 0.00 60.65 59.23 2sfa s ILE 190 Cb -0.06 -3.31 0.80 0.00 -1.58 0.00 0.00 42.46 38.30 2sfa s ILE 190 CO 0.02 0.05 2.02 -0.11 -1.23 0.00 0.00 174.94 175.69