#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0g s GLU 3 N 0.00 2.24 -0.53 4.33 2.12 -1.26 -4.81 118.70 120.78 3h0g s GLU 3 Ca 0.00 0.90 0.03 0.00 0.36 0.00 0.00 54.97 56.26 3h0g s GLU 3 Cb 0.00 -4.59 0.41 0.00 0.26 0.00 0.00 34.13 30.21 3h0g s GLU 3 CO 0.00 -3.26 1.37 0.43 -0.54 0.00 0.00 175.26 173.25 3h0g n SER 4 N 15.10 5.50 -4.44 -1.70 7.64 -1.26 -5.05 113.62 129.41 3h0g n SER 4 Ca 0.33 -3.75 -0.42 0.00 1.01 0.00 0.00 58.87 56.03 3h0g n SER 4 Cb 0.52 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3h0g n SER 4 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3h0g n VAL 5 N -0.53 1.65 -0.10 0.44 0.31 -1.26 -4.26 118.33 114.58 3h0g n VAL 5 Ca 0.44 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3h0g n VAL 5 Cb 0.58 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3h0g n VAL 5 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h0g n LEU 6 N 1.47 0.10 -3.71 7.52 4.77 -1.26 -4.80 117.00 121.09 3h0g n LEU 6 Ca 0.12 -0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 3h0g n LEU 6 Cb 0.38 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 3h0g n LEU 6 CO 0.55 0.02 -0.03 -0.76 -1.33 0.00 0.00 177.39 175.84 3h0g s LEU 7 N -0.77 0.09 -0.33 2.23 1.43 -1.26 -4.83 118.68 115.24 3h0g s LEU 7 Ca 0.00 0.72 0.17 0.00 -1.03 0.00 0.00 54.13 53.99 3h0g s LEU 7 Cb 0.00 1.06 0.45 0.00 0.03 0.00 0.00 46.19 47.73 3h0g s LEU 7 CO 0.00 -0.19 1.13 -0.67 0.23 0.00 0.00 176.35 176.86 3h0g n ASP 8 N 4.34 0.44 -4.29 2.29 2.03 -1.26 -4.12 116.55 115.99 3h0g n ASP 8 Ca -0.23 -2.47 -0.28 0.00 0.52 0.00 0.00 54.79 52.33 3h0g n ASP 8 Cb 0.54 -0.06 -0.15 0.00 -0.72 0.00 0.00 41.12 40.73 3h0g n ASP 8 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0g s GLU 9 N -2.21 1.67 0.14 -0.67 2.02 -1.25 -4.99 118.70 113.41 3h0g s GLU 9 Ca 0.24 -0.97 -0.28 0.00 0.02 0.00 0.00 54.97 53.98 3h0g s GLU 9 Cb 0.42 -1.76 -0.07 0.00 0.10 0.00 0.00 34.13 32.82 3h0g s GLU 9 CO -0.02 0.46 0.88 0.96 0.02 0.00 0.00 175.26 177.56 3h0g s ILE 10 N -0.73 4.42 0.47 -1.63 -4.36 -1.26 -3.46 121.20 114.66 3h0g s ILE 10 Ca 0.09 1.91 0.02 0.00 -0.26 0.00 0.00 60.65 62.42 3h0g s ILE 10 Cb -0.09 -4.25 -0.01 0.00 1.25 0.00 0.00 42.46 39.36 3h0g s ILE 10 CO 0.01 0.41 0.08 -0.36 0.24 0.00 0.00 174.94 175.32 3h0g s PHE 11 N -0.51 1.78 0.07 1.37 0.40 -1.26 -4.68 117.98 115.15 3h0g s PHE 11 Ca 0.42 -1.17 -0.13 0.00 -0.60 0.00 0.00 56.93 55.45 3h0g s PHE 11 Cb -0.23 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 41.95 3h0g s PHE 11 CO 0.28 -0.08 0.29 -0.08 0.70 0.00 0.00 175.22 176.33 3h0g s THR 12 N -3.04 0.10 -0.16 0.64 -1.32 -1.25 -3.76 115.64 106.85 3h0g s THR 12 Ca 0.12 -0.81 -0.13 0.00 -1.21 0.00 0.00 61.69 59.67 3h0g s THR 12 Cb 0.01 -1.11 -0.05 0.00 -1.51 0.00 0.00 72.50 69.85 3h0g s THR 12 CO 0.08 -0.45 0.26 -0.69 -2.21 0.00 0.00 174.62 171.62 3h0g s VAL 13 N -3.22 5.32 -0.04 5.08 1.01 -1.24 -3.26 120.40 124.05 3h0g s VAL 13 Ca -0.00 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3h0g s VAL 13 Cb 0.01 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3h0g s VAL 13 CO -0.08 0.42 0.07 1.07 0.00 0.00 0.00 175.10 176.59 3h0g n THR 14 N 3.39 0.00 -3.63 3.92 5.66 -0.93 -2.77 114.28 119.91 3h0g n THR 14 Ca -0.13 -0.17 -0.16 0.00 -3.05 0.00 0.00 64.05 60.54 3h0g n THR 14 Cb 0.52 0.60 -0.07 0.00 -1.55 0.00 0.00 70.33 69.83 3h0g n THR 14 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3h0g s SER 15 N -2.00 -0.50 -0.12 1.09 1.04 -1.26 -5.03 113.70 106.92 3h0g s SER 15 Ca -0.00 0.63 -0.05 0.00 0.48 0.00 0.00 55.95 57.01 3h0g s SER 15 Cb 0.02 0.62 0.06 0.00 0.10 0.00 0.00 66.02 66.82 3h0g s SER 15 CO 0.11 -0.46 0.24 -0.69 0.98 0.00 0.00 173.24 173.42 3h0g s VAL 16 N -0.87 -0.32 -0.08 5.02 1.01 -1.26 -3.02 120.40 120.88 3h0g s VAL 16 Ca -0.09 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3h0g s VAL 16 Cb -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.97 3h0g s VAL 16 CO 0.06 0.11 -0.07 -1.81 0.00 0.00 0.00 175.10 173.39 3h0g s ASP 17 N 2.18 1.66 -0.92 3.32 -0.00 -1.12 -4.90 116.67 116.89 3h0g s ASP 17 Ca -0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 52.55 52.30 3h0g s ASP 17 Cb -0.12 -0.69 0.00 0.00 -0.00 0.00 0.00 42.92 42.11 3h0g s ASP 17 CO -0.08 -0.06 0.77 0.29 -0.00 0.00 0.00 175.17 176.09 3h0g n LYS 18 N 4.36 -5.12 -3.65 8.23 4.76 -1.26 -0.73 118.16 124.75 3h0g n LYS 18 Ca -0.18 0.63 -0.29 0.00 -2.87 0.00 0.00 58.31 55.60 3h0g n LYS 18 Cb 0.51 -5.02 -0.12 0.00 -1.84 0.00 0.00 35.03 28.55 3h0g n LYS 18 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3h0g s GLN 19 N -5.17 1.29 -1.35 1.97 -0.21 -1.26 -4.88 119.66 110.04 3h0g s GLN 19 Ca 0.07 -2.13 0.00 0.00 0.02 0.00 0.00 55.36 53.33 3h0g s GLN 19 Cb -0.03 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.79 3h0g s GLN 19 CO 0.55 -1.23 0.00 1.63 -2.12 0.00 0.00 175.29 174.12 3h0g n LYS 20 N 3.26 -1.41 -4.45 2.91 5.02 -1.26 -4.94 118.16 117.29 3h0g n LYS 20 Ca 0.15 0.80 -0.34 0.00 -2.02 0.00 0.00 58.31 56.89 3h0g n LYS 20 Cb 0.37 -5.02 -0.10 0.00 -0.02 0.00 0.00 35.03 30.26 3h0g n LYS 20 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3h0g s TYR 21 N -2.04 3.07 -0.00 2.13 1.51 -1.26 -5.06 117.35 115.70 3h0g s TYR 21 Ca 0.00 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 3h0g s TYR 21 Cb 0.00 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 3h0g s TYR 21 CO 0.00 0.33 0.37 1.96 -1.11 0.00 0.00 175.55 177.10 3h0g h GLN 22 N 5.50 -0.05 -7.54 -0.62 4.20 -2.02 -3.44 115.11 111.14 3h0g h GLN 22 Ca -0.46 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.79 3h0g h GLN 22 Cb 1.18 0.01 0.14 0.00 0.30 0.00 0.00 27.48 29.11 3h0g h GLN 22 CO 0.56 -0.03 0.29 1.03 -0.67 0.00 0.00 178.83 180.01 3h0g s ARG 23 N -1.85 0.92 0.53 1.46 3.00 -1.26 -4.81 118.95 116.95 3h0g s ARG 23 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 55.73 54.91 3h0g s ARG 23 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 32.90 3h0g s ARG 23 CO 0.02 -2.11 0.00 0.28 0.00 0.00 0.00 175.30 173.49 3h0g n VAL 24 N -3.42 -4.82 -3.57 3.52 0.31 -1.26 -4.71 118.33 104.39 3h0g n VAL 24 Ca 0.16 2.20 -0.02 0.00 -0.01 0.00 0.00 64.34 66.68 3h0g n VAL 24 Cb 0.60 -3.11 -0.05 0.00 -0.91 0.00 0.00 33.84 30.36 3h0g n VAL 24 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h0g s SER 25 N -3.80 -0.70 0.03 4.52 1.04 -0.93 -4.19 113.70 109.67 3h0g s SER 25 Ca 0.00 1.03 -0.29 0.00 0.48 0.00 0.00 55.95 57.17 3h0g s SER 25 Cb 0.00 1.55 -0.04 0.00 0.10 0.00 0.00 66.02 67.63 3h0g s SER 25 CO 0.00 -0.15 0.94 -0.60 0.98 0.00 0.00 173.24 174.41 3h0g s ARG 26 N 1.98 4.58 0.46 4.02 3.52 0.09 -2.34 118.95 131.27 3h0g s ARG 26 Ca -0.07 1.37 0.05 0.00 -0.13 0.00 0.00 55.73 56.94 3h0g s ARG 26 Cb -0.06 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 3h0g s ARG 26 CO -0.17 0.04 0.07 0.96 -0.81 0.00 0.00 175.30 175.39 3h0g s ILE 27 N 0.68 1.67 0.02 4.11 -4.36 -0.36 -2.80 121.20 120.15 3h0g s ILE 27 Ca 0.49 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.99 3h0g s ILE 27 Cb -0.21 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.90 3h0g s ILE 27 CO 0.27 0.00 -0.08 0.42 0.24 0.00 0.00 174.94 175.80 3h0g s THR 28 N -2.77 0.58 0.00 8.37 -4.23 -1.17 -3.21 115.64 113.22 3h0g s THR 28 Ca 0.24 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3h0g s THR 28 Cb 0.05 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.33 3h0g s THR 28 CO 0.13 -0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.13 3h0g n ALA 29 N 2.25 0.15 -2.03 3.99 0.00 -0.51 -2.20 120.51 122.15 3h0g n ALA 29 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3h0g n ALA 29 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3h0g n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h0g n VAL 30 N -0.69-11.13 -3.94 0.00 0.31 -1.26 -3.86 118.33 97.76 3h0g n VAL 30 Ca 0.00 2.55 -0.09 0.00 -0.01 0.00 0.00 64.34 66.79 3h0g n VAL 30 Cb 0.00 -5.41 -0.02 0.00 -0.91 0.00 0.00 33.84 27.50 3h0g n VAL 30 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3h0g n SER 31 N 1.46 -0.59 0.00 4.52 2.88 -1.26 -3.97 113.62 116.66 3h0g n SER 31 Ca 0.00 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 3h0g n SER 31 Cb 0.00 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.63 3h0g n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h0g n GLY 32 N -0.31 1.76 2.20 0.46 0.00 -1.26 -2.96 105.19 105.07 3h0g n GLY 32 Ca 0.02 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3h0g n GLY 32 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h0g n GLN 33 N 9.17 2.92 0.00 1.61 1.13 -1.26 -4.68 117.38 126.27 3h0g n GLN 33 Ca 0.00 -1.78 0.00 0.00 -1.94 0.00 0.00 57.00 53.28 3h0g n GLN 33 Cb 0.00 -2.38 0.00 0.00 0.11 0.00 0.00 30.24 27.97 3h0g n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3h0g n ASN 34 N 2.75 0.00 -3.99 1.08 3.02 -1.16 -4.68 115.26 112.29 3h0g n ASN 34 Ca 0.60 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.72 3h0g n ASN 34 Cb 0.56 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3h0g n ASN 34 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3h0g n ASP 35 N 0.09 6.23 0.00 6.41 2.03 -1.26 -4.55 116.55 125.49 3h0g n ASP 35 Ca 0.00 -3.40 0.00 0.00 0.52 0.00 0.00 54.79 51.91 3h0g n ASP 35 Cb 0.00 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 3h0g n ASP 35 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3h0g n MET 36 N 1.35 0.00 -1.22 -0.67 2.81 -1.25 -4.79 117.12 113.35 3h0g n MET 36 Ca 0.26 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 3h0g n MET 36 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 3h0g n MET 36 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3h0g n ASN 37 N -1.73 -2.76 -3.67 7.83 0.23 -1.26 -3.08 115.26 110.82 3h0g n ASN 37 Ca 0.00 0.42 -0.13 0.00 -0.53 0.00 0.00 54.58 54.34 3h0g n ASN 37 Cb 0.00 -2.65 -0.06 0.00 -2.08 0.00 0.00 39.78 34.99 3h0g n ASN 37 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3h0g s LEU 38 N -3.25 0.42 -0.26 -4.53 1.98 -1.26 -3.26 118.68 108.51 3h0g s LEU 38 Ca 0.00 -0.02 -0.12 0.00 -2.89 0.00 0.00 54.13 51.10 3h0g s LEU 38 Cb 0.00 1.73 0.10 0.00 0.66 0.00 0.00 46.19 48.68 3h0g s LEU 38 CO 0.00 -0.67 0.60 0.28 -1.89 0.00 0.00 176.35 174.67 3h0g s THR 39 N -2.53 -0.46 -0.03 3.68 -1.32 -0.21 -1.43 115.64 113.35 3h0g s THR 39 Ca -0.05 0.04 -0.13 0.00 -1.21 0.00 0.00 61.69 60.33 3h0g s THR 39 Cb -0.01 -0.90 0.02 0.00 -1.51 0.00 0.00 72.50 70.10 3h0g s THR 39 CO -0.03 0.01 0.29 -1.48 -2.21 0.00 0.00 174.62 171.20 3h0g s LEU 40 N 2.21 0.95 0.23 9.08 2.34 -1.20 -1.63 118.68 130.66 3h0g s LEU 40 Ca -0.07 0.12 -0.30 0.00 0.06 0.00 0.00 54.13 53.93 3h0g s LEU 40 Cb -0.09 1.15 -0.09 0.00 -0.56 0.00 0.00 46.19 46.61 3h0g s LEU 40 CO -0.18 -0.39 0.94 -1.81 -1.06 0.00 0.00 176.35 173.85 3h0g s ASP 41 N -1.13 7.63 -0.27 1.48 -0.00 -1.05 -1.23 116.67 122.10 3h0g s ASP 41 Ca -0.12 1.93 -0.15 0.00 -0.00 0.00 0.00 52.55 54.21 3h0g s ASP 41 Cb -0.05 -2.61 0.08 0.00 -0.00 0.00 0.00 42.92 40.34 3h0g s ASP 41 CO 0.03 0.14 0.67 0.27 -0.00 0.00 0.00 175.17 176.28 3h0g s ILE 42 N -1.07 -0.05 -0.55 0.77 -4.36 -0.99 -4.59 121.20 110.36 3h0g s ILE 42 Ca 0.41 0.01 -0.27 0.00 -0.26 0.00 0.00 60.65 60.54 3h0g s ILE 42 Cb -0.26 -0.97 -0.15 0.00 1.25 0.00 0.00 42.46 42.33 3h0g s ILE 42 CO 0.32 0.00 1.76 -3.20 0.24 0.00 0.00 174.94 174.06 3h0g n ASN 43 N 4.38 0.38 -0.80 4.36 2.85 -1.26 -2.20 115.26 122.97 3h0g n ASN 43 Ca -0.20 0.31 0.05 0.00 -0.11 0.00 0.00 54.58 54.64 3h0g n ASN 43 Cb 0.58 -0.66 0.17 0.00 1.24 0.00 0.00 39.78 41.11 3h0g n ASN 43 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3h0g n SER 44 N 6.55 2.29 -0.01 1.20 3.41 -1.26 -2.94 113.62 122.86 3h0g n SER 44 Ca 0.44 -2.10 -0.22 0.00 -0.26 0.00 0.00 58.87 56.73 3h0g n SER 44 Cb -0.00 -0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 63.49 3h0g n SER 44 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3h0g h GLN 45 N 2.13 0.21 0.01 4.33 4.15 -1.87 -3.37 115.11 120.70 3h0g h GLN 45 Ca 0.00 -0.36 -0.38 0.00 0.77 0.00 0.00 58.65 58.68 3h0g h GLN 45 Cb 0.66 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.42 3h0g h GLN 45 CO 0.05 1.17 -2.40 0.44 -1.93 0.00 0.00 178.83 176.17 3h0g n ILE 46 N -3.84 1.50 -3.04 2.39 -5.35 -1.24 -4.72 119.36 105.07 3h0g n ILE 46 Ca -0.29 -0.64 -0.21 0.00 -0.27 0.00 0.00 62.75 61.34 3h0g n ILE 46 Cb 0.92 -1.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.53 3h0g n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h0g n TYR 47 N -3.18 1.82 -1.13 4.28 9.36 -1.15 -5.11 117.16 122.04 3h0g n TYR 47 Ca -0.42 -3.80 -0.34 0.00 3.32 0.00 0.00 57.90 56.66 3h0g n TYR 47 Cb 1.03 -0.43 0.11 0.00 -0.63 0.00 0.00 39.34 39.42 3h0g n TYR 47 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3h0g n PRO 48 N 0.03 0.20 -4.19 2.98 -0.02 -1.26 -4.76 135.00 127.98 3h0g n PRO 48 Ca 0.27 0.13 -0.18 0.00 -2.02 0.00 0.00 63.50 61.70 3h0g n PRO 48 Cb 0.57 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 3h0g n PRO 48 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h0g s LEU 49 N -4.08 1.69 0.00 2.45 1.43 -1.26 -5.09 118.68 113.82 3h0g s LEU 49 Ca 0.71 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 3h0g s LEU 49 Cb -0.30 -0.38 0.04 0.00 0.03 0.00 0.00 46.19 45.58 3h0g s LEU 49 CO 0.53 0.02 0.31 -0.62 0.23 0.00 0.00 176.35 176.82 3h0g n GLU 50 N 3.44 0.94 -0.66 1.70 1.02 -1.26 -5.03 120.64 120.79 3h0g n GLU 50 Ca -0.19 -1.95 -0.31 0.00 -0.02 0.00 0.00 57.16 54.69 3h0g n GLU 50 Cb 0.54 0.10 0.18 0.00 -0.02 0.00 0.00 31.44 32.24 3h0g n GLU 50 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h0g n LYS 51 N -1.41 -0.82 -4.21 3.49 5.02 -1.26 -3.21 118.16 115.75 3h0g n LYS 51 Ca 0.02 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.80 3h0g n LYS 51 Cb 0.36 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.08 3h0g n LYS 51 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3h0g n ASP 52 N -3.84 -1.18 0.23 4.39 10.43 -1.11 -4.80 116.55 120.66 3h0g n ASP 52 Ca 0.09 -1.10 0.12 0.00 2.57 0.00 0.00 54.79 56.47 3h0g n ASP 52 Cb 0.53 -2.42 0.35 0.00 1.84 0.00 0.00 41.12 41.42 3h0g n ASP 52 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h0g h ALA 53 N 0.86 0.96 -0.23 2.24 0.00 -1.81 -3.47 119.26 117.81 3h0g h ALA 53 Ca -0.62 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3h0g h ALA 53 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3h0g h ALA 53 CO 0.73 0.12 0.00 -2.37 0.00 0.00 0.00 179.25 177.74 3h0g n THR 54 N -3.16 0.00 -1.93 0.00 5.66 -1.25 -4.97 114.28 108.63 3h0g n THR 54 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3h0g n THR 54 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 3h0g n THR 54 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3h0g n PHE 55 N 0.00 -4.79 -0.98 1.09 3.72 -1.25 -4.71 117.46 110.53 3h0g n PHE 55 Ca 0.00 2.72 -0.25 0.00 -0.05 0.00 0.00 57.45 59.87 3h0g n PHE 55 Cb 0.00 -3.65 0.20 0.00 -0.94 0.00 0.00 39.48 35.10 3h0g n PHE 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3h0g n SER 56 N 1.27 -1.83 -3.99 4.37 3.41 -1.26 -4.23 113.62 111.35 3h0g n SER 56 Ca 0.00 -1.06 -0.12 0.00 -0.26 0.00 0.00 58.87 57.43 3h0g n SER 56 Cb 0.00 -0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 63.05 3h0g n SER 56 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3h0g s LEU 57 N 0.00 0.93 0.31 1.04 0.05 -1.22 -3.60 118.68 116.19 3h0g s LEU 57 Ca 0.58 -1.29 -0.05 0.00 0.05 0.00 0.00 54.13 53.43 3h0g s LEU 57 Cb -0.06 0.91 -0.00 0.00 -2.05 0.00 0.00 46.19 45.00 3h0g s LEU 57 CO 0.45 -0.99 0.46 -1.10 -0.55 0.00 0.00 176.35 174.62 3h0g s GLN 58 N -3.96 1.79 0.00 1.48 -0.21 -0.77 -3.92 119.66 114.07 3h0g s GLN 58 Ca 0.33 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 54.08 3h0g s GLN 58 Cb 0.04 0.44 0.00 0.00 1.00 0.00 0.00 33.01 34.49 3h0g s GLN 58 CO 0.13 -0.74 0.00 0.44 -2.12 0.00 0.00 175.29 173.00 3h0g n ILE 59 N -0.50 0.00 -4.58 1.08 -5.35 -1.26 -1.59 119.36 107.16 3h0g n ILE 59 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3h0g n ILE 59 Cb 0.62 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 3h0g n ILE 59 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3h0g n THR 60 N -0.90 0.00 -1.67 7.28 5.66 -1.26 -4.66 114.28 118.73 3h0g n THR 60 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3h0g n THR 60 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3h0g n THR 60 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3h0g n SER 61 N 0.12 0.00 -3.84 1.09 3.41 -1.25 -4.63 113.62 108.51 3h0g n SER 61 Ca 0.00 -0.84 -0.11 0.00 -0.26 0.00 0.00 58.87 57.67 3h0g n SER 61 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3h0g n SER 61 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h0g s ASN 62 N 0.00 0.02 0.00 4.04 4.22 -1.26 -5.01 114.94 116.95 3h0g s ASN 62 Ca 0.00 -0.35 0.00 0.00 -2.14 0.00 0.00 52.86 50.37 3h0g s ASN 62 Cb 0.00 0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.82 3h0g s ASN 62 CO 0.00 -0.55 0.00 -0.11 -2.04 0.00 0.00 177.10 174.40 3h0g n LEU 63 N 0.71 0.00 -0.03 3.54 0.00 -1.26 -4.76 117.00 115.20 3h0g n LEU 63 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.78 3h0g n LEU 63 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.98 3h0g n LEU 63 CO 0.22 0.00 -0.71 -0.46 0.00 0.00 0.00 177.39 176.44 3h0g n ASN 64 N 0.00 3.51 -4.05 1.96 6.94 -1.26 -5.06 115.26 117.29 3h0g n ASN 64 Ca 0.00 -0.03 -0.36 0.00 -0.02 0.00 0.00 54.58 54.17 3h0g n ASN 64 Cb 0.00 -0.06 0.05 0.00 -2.36 0.00 0.00 39.78 37.41 3h0g n ASN 64 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3h0g n SER 65 N -2.66 -5.46 -0.03 0.53 3.41 -1.26 -4.97 113.62 103.18 3h0g n SER 65 Ca -0.11 0.19 -0.05 0.00 -0.26 0.00 0.00 58.87 58.64 3h0g n SER 65 Cb 0.63 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 3h0g n SER 65 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3h0g n PRO 66 N 1.95 0.12 0.05 4.33 -0.04 -1.26 -4.52 135.00 135.62 3h0g n PRO 66 Ca -0.01 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 3h0g n PRO 66 Cb 0.56 -0.81 -0.05 0.00 -0.04 0.00 0.00 33.50 33.16 3h0g n PRO 66 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3h0g h ASP 67 N -0.13 -0.28 -0.67 3.54 3.32 -1.99 -1.99 116.42 118.21 3h0g h ASP 67 Ca -0.13 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.06 3h0g h ASP 67 Cb 1.14 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 3h0g h ASP 67 CO -0.06 -0.14 0.30 -0.07 -1.72 0.00 0.00 179.24 177.54 3h0g h LEU 68 N -0.16 0.35 -0.41 1.55 3.38 -1.91 0.25 115.31 118.35 3h0g h LEU 68 Ca 0.04 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3h0g h LEU 68 Cb 0.21 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3h0g h LEU 68 CO -0.10 0.20 0.17 0.11 0.09 0.00 0.00 178.44 178.91 3h0g h LYS 69 N 0.51 0.35 0.22 1.13 1.57 -1.70 -2.99 116.57 115.65 3h0g h LYS 69 Ca 0.33 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 3h0g h LYS 69 Cb 0.39 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3h0g h LYS 69 CO -0.29 0.23 -0.10 0.93 -0.57 0.00 0.00 179.45 179.64 3h0g h GLU 70 N 0.36 -0.28 -6.71 3.15 4.39 -0.57 -3.45 114.58 111.46 3h0g h GLU 70 Ca 0.18 0.02 -0.49 0.00 0.34 0.00 0.00 59.36 59.42 3h0g h GLU 70 Cb 0.13 0.06 0.23 0.00 -0.10 0.00 0.00 28.75 29.07 3h0g h GLU 70 CO -0.16 0.04 -0.89 0.00 -1.16 0.00 0.00 179.01 176.83 3h0g n ALA 71 N -2.41 -3.57 -0.80 3.43 0.00 0.80 -4.79 120.51 113.18 3h0g n ALA 71 Ca -0.09 -1.02 0.10 0.00 0.00 0.00 0.00 53.44 52.43 3h0g n ALA 71 Cb 0.24 -1.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 3h0g n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h0g n ALA 72 N -4.09 -2.09 -2.00 0.00 0.00 -1.26 -4.85 120.51 106.22 3h0g n ALA 72 Ca 0.03 0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.94 3h0g n ALA 72 Cb 0.59 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 19.25 3h0g n ALA 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h0g n ASP 73 N -3.43 0.74 -3.62 0.00 2.03 0.40 -4.91 116.55 107.75 3h0g n ASP 73 Ca -0.03 -2.29 -0.02 0.00 0.52 0.00 0.00 54.79 52.96 3h0g n ASP 73 Cb 0.38 -0.29 -0.05 0.00 -0.72 0.00 0.00 41.12 40.44 3h0g n ASP 73 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3h0g s TYR 74 N -0.63 -1.20 -0.01 -0.67 5.04 -1.16 -4.95 117.35 113.77 3h0g s TYR 74 Ca 0.17 2.14 0.01 0.00 -2.44 0.00 0.00 57.07 56.95 3h0g s TYR 74 Cb 0.18 0.72 0.01 0.00 0.35 0.00 0.00 41.96 43.22 3h0g s TYR 74 CO -0.05 -0.59 -0.03 0.42 -1.34 0.00 0.00 175.55 173.95 3h0g s ILE 75 N 2.55 0.27 0.25 3.14 1.01 -1.26 -0.42 121.20 126.75 3h0g s ILE 75 Ca -0.07 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.51 3h0g s ILE 75 Cb -0.10 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 3h0g s ILE 75 CO -0.19 0.10 0.08 0.23 0.00 0.00 0.00 174.94 175.17 3h0g n MET 76 N 3.30 0.75 -3.23 2.79 2.81 -0.32 -4.95 117.12 118.26 3h0g n MET 76 Ca -0.17 -2.11 0.04 0.00 -1.81 0.00 0.00 57.70 53.65 3h0g n MET 76 Cb 0.56 1.12 -0.02 0.00 -0.71 0.00 0.00 33.22 34.17 3h0g n MET 76 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3h0g s TYR 77 N -2.46 -1.15 -0.07 2.03 5.04 -1.26 -2.19 117.35 117.29 3h0g s TYR 77 Ca 0.12 1.38 -0.30 0.00 -2.44 0.00 0.00 57.07 55.83 3h0g s TYR 77 Cb 0.01 0.46 0.10 0.00 0.35 0.00 0.00 41.96 42.88 3h0g s TYR 77 CO 0.08 -0.61 0.85 0.20 -1.34 0.00 0.00 175.55 174.73 3h0g s GLY 78 N 2.84 -0.43 1.18 8.97 0.00 -1.26 -4.76 107.32 113.87 3h0g s GLY 78 Ca 0.09 1.49 -0.18 0.00 0.00 0.00 0.00 44.72 46.12 3h0g s GLY 78 CO -0.17 0.80 1.08 0.54 0.00 0.00 0.00 173.10 175.35 3h0g s LYS 79 N -1.75 -1.08 -0.17 2.90 1.02 -1.14 -2.91 119.74 116.62 3h0g s LYS 79 Ca -0.03 0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.91 3h0g s LYS 79 Cb -0.00 -1.60 -0.06 0.00 -0.52 0.00 0.00 37.83 35.65 3h0g s LYS 79 CO 0.01 -3.65 -0.33 0.28 -0.92 0.00 0.00 175.35 170.74 3h0g n VAL 80 N -4.75 1.42 -3.28 3.17 0.31 -1.24 -1.40 118.33 112.55 3h0g n VAL 80 Ca 0.11 0.16 -0.26 0.00 -0.01 0.00 0.00 64.34 64.34 3h0g n VAL 80 Cb 0.59 -2.30 0.03 0.00 -0.91 0.00 0.00 33.84 31.25 3h0g n VAL 80 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3h0g n TYR 81 N -4.35 -1.75 0.00 3.52 4.02 -1.26 -3.96 117.16 113.38 3h0g n TYR 81 Ca -0.13 0.74 0.00 0.00 -0.01 0.00 0.00 57.90 58.49 3h0g n TYR 81 Cb 0.49 -1.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.38 3h0g n TYR 81 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3h0g n ARG 82 N 0.27 0.00 -3.20 -0.72 0.63 -1.26 -4.84 116.66 107.54 3h0g n ARG 82 Ca -0.06 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.71 3h0g n ARG 82 Cb 0.60 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.45 3h0g n ARG 82 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3h0g s VAL 83 N 0.00 -0.33 0.49 5.15 1.01 -1.26 -1.74 120.40 123.72 3h0g s VAL 83 Ca 0.00 -1.49 0.08 0.00 0.00 0.00 0.00 61.98 60.58 3h0g s VAL 83 Cb 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.78 3h0g s VAL 83 CO 0.00 -0.61 0.60 -1.61 0.00 0.00 0.00 175.10 173.48 3h0g s GLU 84 N 0.84 2.52 -0.05 2.72 2.02 -1.09 -4.89 118.70 120.77 3h0g s GLU 84 Ca 0.26 -1.53 0.02 0.00 0.02 0.00 0.00 54.97 53.73 3h0g s GLU 84 Cb -0.04 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.63 3h0g s GLU 84 CO -0.09 -0.51 -0.07 -1.21 0.02 0.00 0.00 175.26 173.39 3h0g s GLU 85 N -4.42 1.16 0.01 1.61 2.02 -1.26 -1.85 118.70 115.97 3h0g s GLU 85 Ca 0.54 -0.23 -0.18 0.00 0.02 0.00 0.00 54.97 55.12 3h0g s GLU 85 Cb -0.06 -1.04 0.03 0.00 0.10 0.00 0.00 34.13 33.16 3h0g s GLU 85 CO 0.33 -0.03 0.41 0.00 0.02 0.00 0.00 175.26 175.98 3h0g s ALA 86 N 0.79 -1.01 -0.27 5.21 0.00 -1.20 -5.00 121.76 120.28 3h0g s ALA 86 Ca -0.13 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 3h0g s ALA 86 Cb -0.15 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3h0g s ALA 86 CO 0.02 -0.38 0.23 1.63 0.00 0.00 0.00 175.76 177.26 3h0g n LYS 87 N 0.81 -2.16 -2.56 0.00 5.02 -1.26 -4.63 118.16 113.37 3h0g n LYS 87 Ca -0.20 1.94 -0.06 0.00 -2.02 0.00 0.00 58.31 57.98 3h0g n LYS 87 Cb 0.58 -4.42 0.01 0.00 -0.02 0.00 0.00 35.03 31.18 3h0g n LYS 87 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3h0g n ASP 88 N 0.07 -6.59 0.00 4.39 8.00 -1.26 -4.64 116.55 116.52 3h0g n ASP 88 Ca 0.05 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.92 3h0g n ASP 88 Cb 0.17 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 3h0g n ASP 88 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3h0g n GLU 89 N -0.46 0.00 -1.49 -1.24 0.28 -1.26 -4.87 120.64 111.60 3h0g n GLU 89 Ca 0.08 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.12 3h0g n GLU 89 Cb 0.37 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.22 3h0g n GLU 89 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3h0g n LYS 90 N 3.28 -3.47 -4.75 3.44 4.81 -1.26 -3.23 118.16 116.98 3h0g n LYS 90 Ca 0.00 2.73 -0.29 0.00 -0.87 0.00 0.00 58.31 59.87 3h0g n LYS 90 Cb 0.00 -3.59 -0.14 0.00 0.02 0.00 0.00 35.03 31.32 3h0g n LYS 90 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3h0g s VAL 91 N -5.06 2.13 -0.12 3.15 1.01 -1.11 -3.86 120.40 116.54 3h0g s VAL 91 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.52 3h0g s VAL 91 Cb 0.00 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3h0g s VAL 91 CO 0.00 0.28 -0.15 -0.94 0.00 0.00 0.00 175.10 174.29 3h0g s SER 92 N -1.46 2.50 -0.12 3.32 1.04 -0.77 -1.76 113.70 116.45 3h0g s SER 92 Ca 0.12 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 3h0g s SER 92 Cb -0.10 -1.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.89 3h0g s SER 92 CO 0.03 -0.00 -0.09 -0.69 0.98 0.00 0.00 173.24 173.46 3h0g s VAL 93 N 1.13 3.42 -0.35 5.02 1.01 -1.06 -2.66 120.40 126.90 3h0g s VAL 93 Ca -0.03 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3h0g s VAL 93 Cb -0.14 -2.44 0.10 0.00 0.00 0.00 0.00 36.38 33.90 3h0g s VAL 93 CO -0.04 0.53 0.07 -0.31 0.00 0.00 0.00 175.10 175.36 3h0g s TYR 94 N 0.04 3.73 -0.11 5.22 1.51 -0.71 -2.66 117.35 124.37 3h0g s TYR 94 Ca -0.03 -2.90 -0.07 0.00 -1.01 0.00 0.00 57.07 53.06 3h0g s TYR 94 Cb -0.14 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 3h0g s TYR 94 CO 0.04 -0.95 0.15 0.08 -1.11 0.00 0.00 175.55 173.76 3h0g s VAL 95 N 0.94 5.48 -0.10 0.71 1.01 -1.22 -4.28 120.40 122.95 3h0g s VAL 95 Ca 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 3h0g s VAL 95 Cb -0.20 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3h0g s VAL 95 CO -0.07 0.62 -0.07 -0.55 0.00 0.00 0.00 175.10 175.02 3h0g s SER 96 N -1.02 4.56 -0.69 3.32 0.15 -0.49 0.02 113.70 119.55 3h0g s SER 96 Ca 0.15 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.71 3h0g s SER 96 Cb -0.12 -1.42 0.37 0.00 -1.71 0.00 0.00 66.02 63.14 3h0g s SER 96 CO 0.04 0.27 1.50 0.49 1.20 0.00 0.00 173.24 176.75 3h0g n PHE 97 N 2.85 3.28 -3.17 3.44 3.01 0.22 -2.88 117.46 124.21 3h0g n PHE 97 Ca -0.18 -2.90 -0.20 0.00 1.01 0.00 0.00 57.45 55.18 3h0g n PHE 97 Cb 0.53 -0.68 0.02 0.00 -0.01 0.00 0.00 39.48 39.33 3h0g n PHE 97 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h0g n GLY 98 N -0.40 -0.76 0.00 1.37 0.00 -1.26 -3.81 105.19 100.33 3h0g n GLY 98 Ca 0.44 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.59 3h0g n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0g n GLY 99 N -0.46 2.93 3.71 -0.02 0.00 -1.26 -5.01 105.19 105.07 3h0g n GLY 99 Ca 0.01 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 3h0g n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0g s LEU 100 N 0.00 4.31 0.15 0.99 1.43 -1.25 -5.02 118.68 119.29 3h0g s LEU 100 Ca 0.00 1.38 0.09 0.00 -1.03 0.00 0.00 54.13 54.57 3h0g s LEU 100 Cb 0.00 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 3h0g s LEU 100 CO 0.00 -0.23 -0.14 -0.76 0.23 0.00 0.00 176.35 175.45 3h0g s LEU 101 N 1.13 2.82 0.19 1.79 1.43 -1.26 -0.61 118.68 124.17 3h0g s LEU 101 Ca 0.43 -0.59 0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3h0g s LEU 101 Cb -0.19 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3h0g s LEU 101 CO 0.21 0.14 -0.21 -0.04 0.23 0.00 0.00 176.35 176.68 3h0g s MET 102 N -2.50 1.64 -0.27 1.70 -1.94 0.10 -2.52 119.30 115.52 3h0g s MET 102 Ca 0.21 -1.47 -0.13 0.00 -1.71 0.00 0.00 55.69 52.59 3h0g s MET 102 Cb -0.10 -1.91 0.10 0.00 2.01 0.00 0.00 34.83 34.93 3h0g s MET 102 CO 0.13 0.41 0.64 0.00 -0.01 0.00 0.00 175.02 176.18 3h0g s ALA 103 N -1.70 -1.84 0.04 3.03 0.00 -0.65 -3.38 121.76 117.27 3h0g s ALA 103 Ca 0.22 2.29 0.02 0.00 0.00 0.00 0.00 51.96 54.49 3h0g s ALA 103 Cb -0.08 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 3h0g s ALA 103 CO 0.11 -0.58 -0.08 0.96 0.00 0.00 0.00 175.76 176.17 3h0g s ILE 104 N 2.10 0.58 -0.36 0.00 -4.36 -1.09 -1.04 121.20 117.03 3h0g s ILE 104 Ca -0.08 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 3h0g s ILE 104 Cb -0.08 -0.63 0.12 0.00 1.25 0.00 0.00 42.46 43.13 3h0g s ILE 104 CO -0.19 -0.31 0.18 -1.61 0.24 0.00 0.00 174.94 173.25 3h0g s GLU 105 N -1.44 0.82 -0.14 0.37 2.02 -1.18 -2.56 118.70 116.59 3h0g s GLU 105 Ca -0.08 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.21 3h0g s GLU 105 Cb -0.09 -1.84 0.08 0.00 0.10 0.00 0.00 34.13 32.37 3h0g s GLU 105 CO 0.01 -1.11 0.75 0.20 0.02 0.00 0.00 175.26 175.12 3h0g s GLY 106 N 1.08 -0.51 0.99 -1.39 0.00 -0.72 -4.10 107.32 102.67 3h0g s GLY 106 Ca 0.15 1.68 -0.16 0.00 0.00 0.00 0.00 44.72 46.38 3h0g s GLY 106 CO -0.10 1.24 1.27 -1.35 0.00 0.00 0.00 173.10 174.15 3h0g s SER 107 N -0.66 2.87 0.11 1.64 1.04 -1.26 -2.76 113.70 114.67 3h0g s SER 107 Ca -0.06 0.39 -0.22 0.00 0.48 0.00 0.00 55.95 56.54 3h0g s SER 107 Cb -0.02 -0.52 -0.13 0.00 0.10 0.00 0.00 66.02 65.45 3h0g s SER 107 CO 0.06 -2.90 0.47 1.41 0.98 0.00 0.00 173.24 173.26 3h0g n HIS 108 N -3.90 -0.14 -2.71 5.02 8.25 -1.26 -1.98 115.22 118.49 3h0g n HIS 108 Ca 0.14 0.71 -0.04 0.00 -0.26 0.00 0.00 57.72 58.26 3h0g n HIS 108 Cb 0.60 -1.42 0.01 0.00 1.12 0.00 0.00 29.99 30.29 3h0g n HIS 108 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3h0g n ARG 109 N 0.80 -1.72 -3.03 -0.41 0.63 -1.26 -4.83 116.66 106.85 3h0g n ARG 109 Ca 0.13 1.70 -0.26 0.00 -0.92 0.00 0.00 57.85 58.50 3h0g n ARG 109 Cb 0.15 -5.10 -0.01 0.00 0.45 0.00 0.00 32.46 27.95 3h0g n ARG 109 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3h0g s LYS 110 N -2.59 3.53 0.00 -0.14 -2.85 -0.84 -5.07 119.74 111.78 3h0g s LYS 110 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 3h0g s LYS 110 Cb -0.04 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 33.21 3h0g s LYS 110 CO 0.65 -0.01 0.00 -0.11 0.10 0.00 0.00 175.35 175.98 3h0g n LEU 111 N -1.90 0.00 0.00 2.77 7.94 -1.26 -4.70 117.00 119.84 3h0g n LEU 111 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3h0g n LEU 111 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 3h0g n LEU 111 CO 0.51 0.00 0.35 -1.22 -1.11 0.00 0.00 177.39 175.92 3h0g n TYR 112 N 0.00 0.00 0.00 1.96 4.02 -1.26 -3.89 117.16 117.99 3h0g n TYR 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3h0g n TYR 112 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 3h0g n TYR 112 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3h0g n ARG 113 N -1.12 0.00 0.00 -0.72 0.63 -1.26 -4.70 116.66 109.49 3h0g n ARG 113 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3h0g n ARG 113 Cb 0.08 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.99 3h0g n ARG 113 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3h0g n LEU 114 N 0.00 0.00 -1.13 6.15 4.77 -1.25 -4.78 117.00 120.76 3h0g n LEU 114 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3h0g n LEU 114 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3h0g n LEU 114 CO 0.00 0.00 0.08 -1.54 -1.33 0.00 0.00 177.39 174.60 3h0g n SER 115 N 0.15 -0.14 -0.36 -1.43 3.41 -1.26 -4.80 113.62 109.19 3h0g n SER 115 Ca 0.00 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 3h0g n SER 115 Cb 0.00 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 3h0g n SER 115 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h0g n LEU 116 N 0.44 1.69 -3.42 1.04 4.32 -1.26 -4.81 117.00 115.00 3h0g n LEU 116 Ca 0.05 -0.64 -0.07 0.00 -0.02 0.00 0.00 56.01 55.32 3h0g n LEU 116 Cb 0.04 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 41.80 3h0g n LEU 116 CO 0.15 0.33 0.66 0.47 -1.22 0.00 0.00 177.39 177.78 3h0g n ASP 117 N -0.43 -0.00 -0.06 -1.43 8.00 -1.26 -3.70 116.55 117.66 3h0g n ASP 117 Ca 0.08 -1.33 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3h0g n ASP 117 Cb 0.43 -0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3h0g n ASP 117 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3h0g n HIS 118 N 4.58 -1.50 0.00 1.24 8.25 -1.26 -4.95 115.22 121.58 3h0g n HIS 118 Ca 0.08 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3h0g n HIS 118 Cb 0.11 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3h0g n HIS 118 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3h0g n VAL 119 N -0.36 0.00 -2.36 1.59 0.31 -1.14 -4.88 118.33 111.49 3h0g n VAL 119 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3h0g n VAL 119 Cb 0.01 -0.19 -0.04 0.00 -0.91 0.00 0.00 33.84 32.72 3h0g n VAL 119 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3h0g n TYR 120 N -1.93 -3.57 -3.62 3.52 4.02 -1.25 -3.97 117.16 110.36 3h0g n TYR 120 Ca 0.00 2.08 -0.38 0.00 -0.01 0.00 0.00 57.90 59.59 3h0g n TYR 120 Cb 0.00 -3.43 -0.06 0.00 -0.02 0.00 0.00 39.34 35.83 3h0g n TYR 120 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3h0g s LEU 121 N -0.53 4.44 -0.11 7.72 0.20 -0.93 -4.30 118.68 125.17 3h0g s LEU 121 Ca -0.23 0.80 0.01 0.00 0.69 0.00 0.00 54.13 55.40 3h0g s LEU 121 Cb 0.02 -2.42 0.02 0.00 -0.43 0.00 0.00 46.19 43.38 3h0g s LEU 121 CO 0.63 0.35 -0.14 -0.76 -0.29 0.00 0.00 176.35 176.14 3h0g s LEU 122 N -1.02 1.64 -0.18 -0.68 1.43 -0.62 -1.18 118.68 118.07 3h0g s LEU 122 Ca 0.21 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3h0g s LEU 122 Cb -0.15 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.05 3h0g s LEU 122 CO 0.10 -0.01 -0.15 -0.76 0.23 0.00 0.00 176.35 175.76 3h0g s LEU 123 N 1.08 2.40 -0.04 1.79 1.43 0.44 -1.85 118.68 123.92 3h0g s LEU 123 Ca -0.05 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 3h0g s LEU 123 Cb -0.15 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3h0g s LEU 123 CO -0.02 0.02 -0.21 -0.60 0.23 0.00 0.00 176.35 175.76 3h0g s ARG 124 N 1.21 2.34 0.00 1.70 3.52 -1.24 -0.46 118.95 126.03 3h0g s ARG 124 Ca 0.02 -0.84 0.21 0.00 -0.13 0.00 0.00 55.73 54.99 3h0g s ARG 124 Cb -0.14 -2.19 0.16 0.00 -1.56 0.00 0.00 34.95 31.22 3h0g s ARG 124 CO -0.07 0.55 1.15 -2.13 -0.81 0.00 0.00 175.30 174.00