#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1w n ASN 3 N 0.00 1.15 -4.49 4.04 3.02 -1.26 -5.10 115.26 112.62 1y1w n ASN 3 Ca 0.00 -0.36 -0.24 0.00 -0.03 0.00 0.00 54.58 53.95 1y1w n ASN 3 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1y1w n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1y1w s THR 4 N -0.42 1.98 -0.01 3.41 2.01 -1.26 -4.34 115.64 117.02 1y1w s THR 4 Ca 0.00 -2.18 0.01 0.00 0.31 0.00 0.00 61.69 59.83 1y1w s THR 4 Cb 0.00 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1y1w s THR 4 CO 0.00 -0.25 0.71 0.18 -0.69 0.00 0.00 174.62 174.57 1y1w n LEU 5 N -0.69 0.42 0.00 4.42 4.77 -1.26 -4.76 117.00 119.90 1y1w n LEU 5 Ca -0.05 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1y1w n LEU 5 Cb 0.63 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1y1w n LEU 5 CO 0.41 0.16 0.00 0.33 -1.33 0.00 0.00 177.39 176.97 1y1w n PHE 6 N -0.15 0.00 -3.73 -1.77 7.35 -1.26 -4.51 117.46 113.39 1y1w n PHE 6 Ca 0.01 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.58 1y1w n PHE 6 Cb 0.51 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.23 1y1w n PHE 6 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1y1w s ASP 7 N 0.00 -0.40 0.00 -2.13 -1.08 -1.26 -3.61 116.67 108.19 1y1w s ASP 7 Ca 0.00 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.76 1y1w s ASP 7 Cb 0.00 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 1y1w s ASP 7 CO 0.00 -0.16 0.00 -0.67 0.52 0.00 0.00 175.17 174.86 1y1w n ASP 8 N 3.70 0.00 -4.14 -0.34 2.03 -1.18 -5.05 116.55 111.57 1y1w n ASP 8 Ca -0.20 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.91 1y1w n ASP 8 Cb 0.56 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.82 1y1w n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1y1w s ILE 9 N -2.00 1.14 0.26 5.18 1.01 -1.26 -1.87 121.20 123.65 1y1w s ILE 9 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1y1w s ILE 9 Cb 0.00 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1y1w s ILE 9 CO 0.00 0.07 0.07 -0.36 0.00 0.00 0.00 174.94 174.72 1y1w s PHE 10 N -0.75 1.56 -0.10 3.97 0.40 -0.33 -2.32 117.98 120.40 1y1w s PHE 10 Ca 0.03 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 1y1w s PHE 10 Cb -0.07 -0.92 0.02 0.00 0.51 0.00 0.00 43.02 42.55 1y1w s PHE 10 CO 0.01 -0.26 -0.12 -1.14 0.70 0.00 0.00 175.22 174.41 1y1w s GLN 11 N -3.99 1.87 -0.41 0.44 0.74 -0.44 -2.42 119.66 115.45 1y1w s GLN 11 Ca 0.36 -0.43 -0.27 0.00 0.05 0.00 0.00 55.36 55.07 1y1w s GLN 11 Cb 0.08 -1.67 -0.05 0.00 1.10 0.00 0.00 33.01 32.47 1y1w s GLN 11 CO 0.13 -0.11 2.15 0.08 -0.55 0.00 0.00 175.29 176.99 1y1w s VAL 12 N 1.13 3.15 0.25 1.34 1.01 -1.23 -1.76 120.40 124.30 1y1w s VAL 12 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1y1w s VAL 12 Cb -0.14 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1y1w s VAL 12 CO -0.03 -0.24 1.65 0.77 0.00 0.00 0.00 175.10 177.25 1y1w h SER 13 N 16.29 0.54 -3.81 3.32 4.64 -1.12 0.49 113.55 133.91 1y1w h SER 13 Ca -0.31 -0.22 0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1y1w h SER 13 Cb 1.22 -0.15 -0.24 0.00 -0.31 0.00 0.00 62.40 62.92 1y1w h SER 13 CO 1.09 0.85 0.64 -0.70 -0.87 0.00 0.00 176.83 177.83 1y1w s GLU 14 N -4.34 0.46 -0.05 4.77 2.12 -1.18 -4.75 118.70 115.73 1y1w s GLU 14 Ca -0.07 0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.42 1y1w s GLU 14 Cb 0.13 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 1y1w s GLU 14 CO 0.81 -0.14 -0.10 0.08 -0.54 0.00 0.00 175.26 175.38 1y1w s VAL 15 N -0.99 3.47 -0.12 3.70 1.01 -1.26 -3.01 120.40 123.20 1y1w s VAL 15 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1y1w s VAL 15 Cb -0.01 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1y1w s VAL 15 CO -0.01 0.57 -0.02 -0.62 0.00 0.00 0.00 175.10 175.01 1y1w s ASP 16 N -0.88 2.17 -0.82 3.32 2.15 -0.61 -4.99 116.67 117.02 1y1w s ASP 16 Ca 0.13 -0.36 -0.08 0.00 0.43 0.00 0.00 52.55 52.67 1y1w s ASP 16 Cb -0.11 -0.66 0.21 0.00 -0.30 0.00 0.00 42.92 42.06 1y1w s ASP 16 CO 0.02 -0.19 0.72 -2.16 -0.17 0.00 0.00 175.17 173.39 1y1w s PRO 17 N 1.82 3.32 -1.31 4.34 0.04 -1.26 -1.92 135.00 140.03 1y1w s PRO 17 Ca 0.03 -2.75 -0.10 0.00 0.04 0.00 0.00 61.00 58.23 1y1w s PRO 17 Cb -0.14 -4.15 0.15 0.00 0.04 0.00 0.00 34.50 30.40 1y1w s PRO 17 CO -0.07 -1.24 1.97 0.41 0.04 0.00 0.00 177.00 178.11 1y1w n GLY 18 N 3.33 4.76 2.28 0.56 0.00 -1.26 -4.40 105.19 110.46 1y1w n GLY 18 Ca 0.15 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1y1w n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1w n ARG 19 N 3.96 -2.35 -3.43 1.61 5.12 -1.26 -5.00 116.66 115.31 1y1w n ARG 19 Ca 0.43 0.36 -0.26 0.00 -1.93 0.00 0.00 57.85 56.45 1y1w n ARG 19 Cb 0.36 -4.04 -0.09 0.00 -1.16 0.00 0.00 32.46 27.53 1y1w n ARG 19 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1y1w n TYR 20 N -3.68 1.74 -0.47 -1.55 0.53 -1.26 -4.99 117.16 107.48 1y1w n TYR 20 Ca -0.03 -3.89 0.36 0.00 -1.02 0.00 0.00 57.90 53.32 1y1w n TYR 20 Cb 0.54 -0.39 0.57 0.00 -1.03 0.00 0.00 39.34 39.03 1y1w n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1y1w n ASN 21 N 1.48 0.04 -0.30 7.72 3.02 -1.26 -1.09 115.26 124.88 1y1w n ASN 21 Ca 0.26 0.81 0.04 0.00 -0.03 0.00 0.00 54.58 55.65 1y1w n ASN 21 Cb 0.45 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.25 1y1w n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1y1w n LYS 22 N -3.61 0.27 -3.69 3.52 5.02 -1.26 -4.97 118.16 113.44 1y1w n LYS 22 Ca 0.32 -1.01 -0.10 0.00 -2.02 0.00 0.00 58.31 55.49 1y1w n LYS 22 Cb 1.38 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 35.15 1y1w n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y1w s VAL 23 N -0.63 -0.02 0.01 -0.18 1.01 -0.25 -3.11 120.40 117.23 1y1w s VAL 23 Ca 0.09 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1y1w s VAL 23 Cb 0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1y1w s VAL 23 CO 0.09 0.03 -0.23 0.00 0.00 0.00 0.00 175.10 174.99 1y1w s ARG 25 N -0.84 4.27 0.03 0.00 3.52 -0.81 -1.68 118.95 123.45 1y1w s ARG 25 Ca 0.09 1.00 0.05 0.00 -0.13 0.00 0.00 55.73 56.74 1y1w s ARG 25 Cb -0.09 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.70 1y1w s ARG 25 CO 0.00 0.20 -0.14 0.42 -0.81 0.00 0.00 175.30 174.97 1y1w s ILE 26 N -1.82 1.12 -0.08 4.11 1.01 0.60 -1.57 121.20 124.57 1y1w s ILE 26 Ca 0.52 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1y1w s ILE 26 Cb -0.14 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1y1w s ILE 26 CO 0.19 0.07 -0.08 -1.61 0.00 0.00 0.00 174.94 173.50 1y1w s GLU 27 N -0.99 1.43 0.17 2.79 2.02 -1.16 0.12 118.70 123.08 1y1w s GLU 27 Ca 0.02 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1y1w s GLU 27 Cb -0.07 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.75 1y1w s GLU 27 CO 0.01 -0.13 0.10 0.00 0.02 0.00 0.00 175.26 175.26 1y1w s ALA 28 N 1.20 1.04 0.40 5.21 0.00 0.15 -0.46 121.76 129.30 1y1w s ALA 28 Ca -0.05 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.38 1y1w s ALA 28 Cb -0.14 1.18 -0.05 0.00 0.00 0.00 0.00 23.12 24.10 1y1w s ALA 28 CO -0.02 -0.55 0.17 0.00 0.00 0.00 0.00 175.76 175.36 1y1w s ALA 29 N -4.11 3.56 0.05 0.00 0.00 -0.72 -0.36 121.76 120.18 1y1w s ALA 29 Ca 0.33 -2.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.13 1y1w s ALA 29 Cb 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1y1w s ALA 29 CO 0.08 -0.14 0.34 0.45 0.00 0.00 0.00 175.76 176.49 1y1w s SER 30 N -3.89 6.56 -0.94 0.00 0.15 -1.00 -1.33 113.70 113.24 1y1w s SER 30 Ca 0.41 0.66 -0.03 0.00 0.70 0.00 0.00 55.95 57.69 1y1w s SER 30 Cb 0.03 -2.13 0.25 0.00 -1.71 0.00 0.00 66.02 62.46 1y1w s SER 30 CO 0.22 0.19 2.14 0.41 1.20 0.00 0.00 173.24 177.41 1y1w n THR 31 N 0.90 4.78 0.00 6.45 -1.04 -0.98 -4.66 114.28 119.73 1y1w n THR 31 Ca -0.09 -4.71 0.00 0.00 -2.04 0.00 0.00 64.05 57.22 1y1w n THR 31 Cb 0.52 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 1y1w n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1y1w n THR 32 N 0.28 0.00 -2.40 12.58 -1.04 -1.26 -4.92 114.28 117.52 1y1w n THR 32 Ca 0.52 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.12 1y1w n THR 32 Cb 0.30 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.77 1y1w n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1y1w s GLN 33 N 1.35 4.46 0.00 -2.82 1.11 -1.26 -4.87 119.66 117.63 1y1w s GLN 33 Ca 0.00 1.82 0.00 0.00 0.01 0.00 0.00 55.36 57.19 1y1w s GLN 33 Cb 0.00 -3.30 0.00 0.00 -1.01 0.00 0.00 33.01 28.70 1y1w s GLN 33 CO 0.00 -0.17 0.45 -0.25 0.01 0.00 0.00 175.29 175.33 1y1w n ASP 34 N 3.28 1.02 -0.11 5.90 8.00 -1.26 -3.34 116.55 130.03 1y1w n ASP 34 Ca 0.07 -1.59 -0.24 0.00 0.71 0.00 0.00 54.79 53.74 1y1w n ASP 34 Cb 0.45 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 41.08 1y1w n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y1w n GLN 35 N 0.17 0.50 -1.70 -1.24 6.02 -1.26 -4.94 117.38 114.94 1y1w n GLN 35 Ca 0.00 0.22 -0.36 0.00 -0.01 0.00 0.00 57.00 56.85 1y1w n GLN 35 Cb 0.23 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1y1w n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y1w s LYS 37 N 7.93 3.09 -0.01 0.00 1.02 -1.23 -2.38 119.74 128.16 1y1w s LYS 37 Ca 0.89 -0.96 -0.00 0.00 0.02 0.00 0.00 55.97 55.91 1y1w s LYS 37 Cb -0.16 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1y1w s LYS 37 CO 0.24 0.41 0.02 -1.17 -0.92 0.00 0.00 175.35 173.92 1y1w s LEU 38 N -3.88 1.84 -0.19 3.17 2.96 0.52 -3.28 118.68 119.81 1y1w s LEU 38 Ca 0.33 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1y1w s LEU 38 Cb -0.08 0.03 0.06 0.00 0.50 0.00 0.00 46.19 46.70 1y1w s LEU 38 CO 0.26 -0.02 0.00 -0.89 -1.32 0.00 0.00 176.35 174.38 1y1w s THR 39 N 0.14 0.83 -0.06 3.68 2.01 -0.95 -0.68 115.64 120.61 1y1w s THR 39 Ca -0.01 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1y1w s THR 39 Cb -0.02 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.32 1y1w s THR 39 CO -0.00 -0.11 0.13 -0.22 -0.69 0.00 0.00 174.62 173.73 1y1w s LEU 40 N 1.73 0.64 0.46 4.42 2.96 0.33 0.06 118.68 129.27 1y1w s LEU 40 Ca -0.01 0.26 -0.23 0.00 -0.22 0.00 0.00 54.13 53.93 1y1w s LEU 40 Cb -0.17 0.27 -0.08 0.00 0.50 0.00 0.00 46.19 46.72 1y1w s LEU 40 CO -0.07 -0.16 1.15 -1.81 -1.32 0.00 0.00 176.35 174.13 1y1w s ASP 41 N 1.35 6.23 -0.06 3.68 1.01 -0.79 -0.29 116.67 127.79 1y1w s ASP 41 Ca -0.07 2.26 -0.18 0.00 0.71 0.00 0.00 52.55 55.28 1y1w s ASP 41 Cb -0.12 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.25 1y1w s ASP 41 CO -0.05 -0.88 0.41 -0.63 0.21 0.00 0.00 175.17 174.23 1y1w s ILE 42 N -1.57 0.03 -0.91 0.77 1.01 -0.67 -4.85 121.20 115.01 1y1w s ILE 42 Ca 0.63 -0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.79 1y1w s ILE 42 Cb -0.27 -0.68 0.04 0.00 0.01 0.00 0.00 42.46 41.56 1y1w s ILE 42 CO 0.33 -0.14 1.38 0.21 0.00 0.00 0.00 174.94 176.73 1y1w s ASN 43 N -0.84 6.36 0.00 3.58 3.84 -1.26 -1.96 114.94 124.66 1y1w s ASN 43 Ca -0.09 -1.05 -0.00 0.00 0.21 0.00 0.00 52.86 51.93 1y1w s ASN 43 Cb -0.04 -2.57 -0.02 0.00 -0.55 0.00 0.00 41.25 38.08 1y1w s ASN 43 CO 0.04 -1.65 1.76 0.52 -2.79 0.00 0.00 177.10 174.98 1y1w n VAL 44 N 6.69 1.70 0.00 -5.21 0.31 -1.18 -2.43 118.33 118.21 1y1w n VAL 44 Ca 0.21 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1y1w n VAL 44 Cb 0.50 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1y1w n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1y1w n GLU 45 N 1.68 0.21 0.00 5.55 2.13 -1.26 -4.58 120.64 124.37 1y1w n GLU 45 Ca 0.03 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.96 1y1w n GLU 45 Cb 0.44 -0.73 -0.01 0.00 0.27 0.00 0.00 31.44 31.40 1y1w n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1y1w n LEU 46 N -1.88 1.69 -2.87 4.31 4.77 -1.16 -4.66 117.00 117.20 1y1w n LEU 46 Ca 0.00 -0.65 -0.08 0.00 -0.03 0.00 0.00 56.01 55.25 1y1w n LEU 46 Cb 0.23 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1y1w n LEU 46 CO 0.00 0.33 0.04 0.12 -1.33 0.00 0.00 177.39 176.56 1y1w s PHE 47 N -2.63 -1.16 0.57 -1.77 5.36 -1.02 -5.01 117.98 112.32 1y1w s PHE 47 Ca 0.16 -0.87 -0.21 0.00 -0.96 0.00 0.00 56.93 55.05 1y1w s PHE 47 Cb 0.18 0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.92 1y1w s PHE 47 CO 0.65 -1.20 1.33 -2.14 -1.46 0.00 0.00 175.22 172.40 1y1w s PRO 48 N 0.74 3.03 -0.21 10.12 0.02 -1.26 -4.34 135.00 143.10 1y1w s PRO 48 Ca 0.30 2.17 -0.10 0.00 0.02 0.00 0.00 61.00 63.39 1y1w s PRO 48 Cb 0.01 -2.17 0.07 0.00 0.02 0.00 0.00 34.50 32.44 1y1w s PRO 48 CO -0.08 -1.25 0.49 0.08 -0.33 0.00 0.00 177.00 175.91 1y1w s VAL 49 N -1.34 -0.21 0.26 3.83 1.01 -1.26 -5.06 120.40 117.63 1y1w s VAL 49 Ca 0.74 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.89 1y1w s VAL 49 Cb -0.39 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1y1w s VAL 49 CO 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 175.10 175.57 1y1w s ALA 50 N 1.80 3.15 0.41 5.51 0.00 -1.26 -4.97 121.76 126.41 1y1w s ALA 50 Ca -0.08 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.01 1y1w s ALA 50 Cb -0.09 -0.76 -0.14 0.00 0.00 0.00 0.00 23.12 22.13 1y1w s ALA 50 CO -0.15 0.27 0.29 0.00 0.00 0.00 0.00 175.76 176.17 1y1w n ALA 51 N -0.86 -2.36 -2.92 0.00 0.00 -1.26 -4.22 120.51 108.89 1y1w n ALA 51 Ca -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1y1w n ALA 51 Cb 0.59 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1y1w n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y1w n GLN 52 N 0.99 -2.19 -4.00 0.00 6.02 0.17 -4.93 117.38 113.44 1y1w n GLN 52 Ca 0.11 1.97 -0.09 0.00 -0.01 0.00 0.00 57.00 58.98 1y1w n GLN 52 Cb 0.40 -3.62 -0.08 0.00 1.02 0.00 0.00 30.24 27.96 1y1w n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1y1w s ASP 53 N -1.40 0.11 -0.76 1.08 1.01 -1.26 -4.84 116.67 110.60 1y1w s ASP 53 Ca 0.01 -0.93 -0.11 0.00 0.71 0.00 0.00 52.55 52.23 1y1w s ASP 53 Cb -0.00 0.40 0.20 0.00 1.01 0.00 0.00 42.92 44.53 1y1w s ASP 53 CO 0.48 -0.85 0.67 -0.94 0.21 0.00 0.00 175.17 174.74 1y1w s SER 54 N -2.98 6.35 -0.02 0.27 1.04 -1.26 -3.50 113.70 113.60 1y1w s SER 54 Ca 0.18 -2.68 -0.03 0.00 0.48 0.00 0.00 55.95 53.90 1y1w s SER 54 Cb 0.04 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 1y1w s SER 54 CO -0.00 -0.54 0.16 -0.76 0.98 0.00 0.00 173.24 173.08 1y1w s LEU 55 N 0.18 4.28 -0.37 2.42 1.43 -1.01 -4.78 118.68 120.82 1y1w s LEU 55 Ca 0.17 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.53 1y1w s LEU 55 Cb -0.14 -2.49 0.07 0.00 0.03 0.00 0.00 46.19 43.67 1y1w s LEU 55 CO -0.07 0.28 0.16 -0.89 0.23 0.00 0.00 176.35 176.06 1y1w s THR 56 N -1.27 3.65 0.22 5.49 2.01 -1.21 -1.19 115.64 123.34 1y1w s THR 56 Ca 0.25 -1.48 -0.15 0.00 0.31 0.00 0.00 61.69 60.62 1y1w s THR 56 Cb -0.12 -3.23 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 1y1w s THR 56 CO 0.16 -0.39 0.63 -0.69 -0.69 0.00 0.00 174.62 173.64 1y1w s VAL 57 N 1.32 4.77 0.21 3.82 1.01 -0.78 -3.34 120.40 127.40 1y1w s VAL 57 Ca 0.01 0.88 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 1y1w s VAL 57 Cb -0.21 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1y1w s VAL 57 CO 0.00 0.08 0.46 -0.89 0.00 0.00 0.00 175.10 174.75 1y1w s THR 58 N -1.66 0.03 0.00 3.92 2.01 -1.17 -3.09 115.64 115.68 1y1w s THR 58 Ca 0.44 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1y1w s THR 58 Cb -0.14 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1y1w s THR 58 CO 0.20 -0.13 0.00 -0.38 -0.69 0.00 0.00 174.62 173.62 1y1w n ILE 59 N -0.32 0.00 -0.66 1.82 5.41 -1.24 -2.73 119.36 121.64 1y1w n ILE 59 Ca -0.07 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.76 1y1w n ILE 59 Cb 0.62 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.51 1y1w n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1w n ALA 60 N -3.00 -1.68 -3.52 -1.39 0.00 -1.26 -4.47 120.51 105.19 1y1w n ALA 60 Ca 0.00 0.41 -0.27 0.00 0.00 0.00 0.00 53.44 53.58 1y1w n ALA 60 Cb 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 1y1w n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1y1w n SER 61 N -2.97 3.51 0.00 0.00 3.41 -1.26 -2.00 113.62 114.31 1y1w n SER 61 Ca -0.04 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 1y1w n SER 61 Cb 0.31 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1y1w n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y1w n SER 62 N 1.10 0.00 -1.30 4.04 3.41 -1.26 -4.47 113.62 115.14 1y1w n SER 62 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1y1w n SER 62 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1y1w n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y1w n LEU 63 N 0.00 0.00 -0.07 1.04 4.77 -1.26 -4.94 117.00 116.54 1y1w n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1y1w n LEU 63 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1y1w n LEU 63 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1y1w n THR 76 N -0.42 0.00 -1.33 -5.08 -1.04 -1.26 -4.60 114.28 100.55 1y1w n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1y1w n THR 76 Cb 0.00 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 1y1w n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1y1w n ARG 77 N -0.07 -3.82 -1.55 -2.82 1.74 -1.26 -4.85 116.66 104.03 1y1w n ARG 77 Ca 0.00 2.84 -0.45 0.00 -0.77 0.00 0.00 57.85 59.47 1y1w n ARG 77 Cb 0.05 -3.19 -0.01 0.00 -1.02 0.00 0.00 32.46 28.29 1y1w n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1y1w n SER 78 N -0.79 0.68 -4.67 0.55 3.41 -1.26 -4.90 113.62 106.64 1y1w n SER 78 Ca 0.00 1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 59.32 1y1w n SER 78 Cb 0.00 -1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 62.70 1y1w n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1y1w s TRP 79 N -1.10 3.39 0.03 7.33 -0.00 -1.26 -5.04 118.94 122.29 1y1w s TRP 79 Ca 0.60 1.46 -0.27 0.00 -0.00 0.00 0.00 56.10 57.89 1y1w s TRP 79 Cb -0.72 -3.21 -0.04 0.00 -0.00 0.00 0.00 33.47 29.49 1y1w s TRP 79 CO 0.59 -0.39 0.87 1.03 -0.00 0.00 0.00 176.95 179.05 1y1w s ARG 80 N 2.77 4.55 0.00 5.86 0.52 -1.26 -5.08 118.95 126.32 1y1w s ARG 80 Ca 0.44 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 1y1w s ARG 80 Cb -0.16 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.90 1y1w s ARG 80 CO 0.10 0.12 0.00 -2.30 0.02 0.00 0.00 175.30 173.24 1y1w n PRO 81 N 3.33 0.29 0.00 3.54 -0.02 -1.26 -4.98 135.00 135.89 1y1w n PRO 81 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1y1w n PRO 81 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1y1w n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1y1w n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.62 135.00 129.60 1y1w n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1y1w n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1y1w n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1y1w n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.43 117.38 118.25 1y1w n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1y1w n GLN 83 Cb 0.00 -0.14 0.00 0.00 1.02 0.00 0.00 30.24 31.12 1y1w n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y1w n ALA 84 N 0.00 1.40 0.00 -1.58 0.00 -1.26 -3.53 120.51 115.54 1y1w n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y1w n ALA 84 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1y1w n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y1w n GLY 85 N 0.14 -0.40 0.76 0.00 0.00 -1.26 -0.75 105.19 103.68 1y1w n GLY 85 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1y1w n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y1w n ASP 86 N -1.39 0.35 -1.61 1.61 -0.08 -1.23 -5.11 116.55 109.08 1y1w n ASP 86 Ca 0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 54.79 51.23 1y1w n ASP 86 Cb 0.03 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.25 1y1w n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1y1w n ARG 87 N 0.09 1.96 -1.16 -0.67 1.74 0.08 -5.10 116.66 113.60 1y1w n ARG 87 Ca 0.02 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.74 1y1w n ARG 87 Cb 0.82 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.33 1y1w n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1y1w n SER 88 N -1.49 -1.91 -2.74 0.55 3.41 -1.26 -5.00 113.62 105.17 1y1w n SER 88 Ca 0.00 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 59.09 1y1w n SER 88 Cb 0.00 -1.15 0.02 0.00 -0.26 0.00 0.00 64.21 62.81 1y1w n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y1w n LEU 89 N 0.05 -3.10 -1.12 1.04 4.77 -1.26 -4.96 117.00 112.42 1y1w n LEU 89 Ca 0.08 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 1y1w n LEU 89 Cb 0.51 0.73 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 1y1w n LEU 89 CO 0.51 1.81 0.47 0.00 -1.33 0.00 0.00 177.39 178.84 1y1w n ALA 90 N 2.82 2.51 -0.85 -1.18 0.00 -1.26 -3.97 120.51 118.59 1y1w n ALA 90 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1y1w n ALA 90 Cb 0.58 -1.05 0.27 0.00 0.00 0.00 0.00 19.45 19.26 1y1w n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1y1w n ASP 91 N 0.82 4.56 -0.72 0.00 5.75 -1.26 -4.68 116.55 121.01 1y1w n ASP 91 Ca 0.00 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 51.66 1y1w n ASP 91 Cb 0.39 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1y1w n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1y1w n ASP 92 N -0.14 0.35 -1.00 -1.12 8.00 -1.25 -4.62 116.55 116.77 1y1w n ASP 92 Ca 0.38 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1y1w n ASP 92 Cb 1.32 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 1y1w n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1y1w n TYR 93 N 0.63 0.00 -0.23 1.24 4.02 -1.26 -4.94 117.16 116.61 1y1w n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1y1w n TYR 93 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1y1w n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1y1w n ASP 94 N -0.87 0.73 -3.45 7.72 8.00 0.24 -4.96 116.55 123.96 1y1w n ASP 94 Ca 0.00 -0.98 -0.07 0.00 0.71 0.00 0.00 54.79 54.45 1y1w n ASP 94 Cb 0.00 0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 1y1w n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1y1w s TYR 95 N -0.03 -0.94 -0.27 1.24 6.04 -1.03 -4.90 117.35 117.47 1y1w s TYR 95 Ca 0.00 1.26 -0.02 0.00 0.04 0.00 0.00 57.07 58.35 1y1w s TYR 95 Cb 0.00 0.23 0.09 0.00 -1.04 0.00 0.00 41.96 41.23 1y1w s TYR 95 CO 0.00 -0.65 0.08 0.08 -1.54 0.00 0.00 175.55 173.52 1y1w s VAL 96 N 2.63 0.68 0.60 3.14 1.01 -1.26 -0.81 120.40 126.38 1y1w s VAL 96 Ca 0.08 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1y1w s VAL 96 Cb -0.14 -1.41 0.09 0.00 0.00 0.00 0.00 36.38 34.93 1y1w s VAL 96 CO -0.15 -0.54 0.83 -0.04 0.00 0.00 0.00 175.10 175.20 1y1w s MET 97 N 1.74 2.19 -0.25 2.72 -1.94 -0.83 -4.86 119.30 118.07 1y1w s MET 97 Ca 0.06 -1.54 -0.13 0.00 -1.71 0.00 0.00 55.69 52.37 1y1w s MET 97 Cb -0.17 -2.59 0.08 0.00 2.01 0.00 0.00 34.83 34.16 1y1w s MET 97 CO -0.21 -0.96 0.59 -0.47 -0.01 0.00 0.00 175.02 173.95 1y1w s TYR 98 N -2.75 -0.97 0.00 -0.03 5.04 -1.26 -0.54 117.35 116.84 1y1w s TYR 98 Ca 0.63 1.90 0.00 0.00 -2.44 0.00 0.00 57.07 57.16 1y1w s TYR 98 Cb -0.06 0.54 0.00 0.00 0.35 0.00 0.00 41.96 42.80 1y1w s TYR 98 CO 0.40 -0.50 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 1y1w n GLY 99 N 4.56 3.62 3.14 8.97 0.00 -1.24 -4.65 105.19 119.59 1y1w n GLY 99 Ca -0.19 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1y1w n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y1w s THR 100 N -0.46 0.19 -0.12 2.61 2.01 0.49 -4.26 115.64 116.11 1y1w s THR 100 Ca 0.00 -1.89 -0.02 0.00 0.31 0.00 0.00 61.69 60.09 1y1w s THR 100 Cb 0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1y1w s THR 100 CO 0.00 -0.61 -0.03 0.00 -0.69 0.00 0.00 174.62 173.29 1y1w s ALA 101 N -3.98 3.10 -0.20 7.40 0.00 -1.26 0.18 121.76 127.00 1y1w s ALA 101 Ca 0.20 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 1y1w s ALA 101 Cb 0.07 -1.48 -0.11 0.00 0.00 0.00 0.00 23.12 21.61 1y1w s ALA 101 CO -0.01 0.40 -0.22 2.48 0.00 0.00 0.00 175.76 178.41 1y1w n TYR 102 N 2.83 0.00 -4.24 0.00 -0.00 -1.15 -4.86 117.16 109.73 1y1w n TYR 102 Ca -0.18 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.51 1y1w n TYR 102 Cb 0.53 -0.74 -0.12 0.00 -0.00 0.00 0.00 39.34 39.01 1y1w n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1y1w s LYS 103 N -2.38 1.01 -0.54 -3.48 2.20 -1.26 -5.02 119.74 110.27 1y1w s LYS 103 Ca -0.27 -1.13 0.02 0.00 -0.36 0.00 0.00 55.97 54.23 1y1w s LYS 103 Cb 0.09 -1.10 0.14 0.00 -1.51 0.00 0.00 37.83 35.44 1y1w s LYS 103 CO 0.40 0.24 0.30 -0.06 -0.36 0.00 0.00 175.35 175.87 1y1w s PHE 104 N -1.46 3.25 0.42 4.03 0.40 -1.26 -1.92 117.98 121.44 1y1w s PHE 104 Ca 0.05 -3.06 -0.08 0.00 -0.60 0.00 0.00 56.93 53.23 1y1w s PHE 104 Cb -0.09 -2.92 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 1y1w s PHE 104 CO 0.04 -0.77 0.75 -2.00 0.70 0.00 0.00 175.22 173.94 1y1w s GLU 105 N -0.22 3.69 -0.70 0.44 2.12 -0.70 -4.97 118.70 118.37 1y1w s GLU 105 Ca 0.17 0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1y1w s GLU 105 Cb -0.24 -2.41 0.17 0.00 0.26 0.00 0.00 34.13 31.91 1y1w s GLU 105 CO -0.01 -0.06 0.51 -1.21 -0.54 0.00 0.00 175.26 173.95 1y1w s GLU 106 N -4.09 2.63 -0.44 4.30 2.02 -1.26 -2.25 118.70 119.61 1y1w s GLU 106 Ca 0.49 -2.95 -0.06 0.00 0.02 0.00 0.00 54.97 52.47 1y1w s GLU 106 Cb -0.10 -3.65 -0.06 0.00 0.10 0.00 0.00 34.13 30.42 1y1w s GLU 106 CO 0.35 -1.21 1.57 0.28 0.02 0.00 0.00 175.26 176.27 1y1w n VAL 107 N 2.73 1.15 -0.90 2.63 0.31 -0.63 -4.82 118.33 118.82 1y1w n VAL 107 Ca 0.14 -0.72 0.10 0.00 -0.01 0.00 0.00 64.34 63.85 1y1w n VAL 107 Cb 0.36 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.40 1y1w n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1y1w n SER 108 N 5.12 -4.67 0.00 4.52 3.41 -1.26 -4.46 113.62 116.28 1y1w n SER 108 Ca 0.25 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1y1w n SER 108 Cb 0.11 -2.91 0.00 0.00 -0.26 0.00 0.00 64.21 61.15 1y1w n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1y1w n LYS 109 N -2.88 0.00 -1.20 4.33 5.02 -1.26 -1.54 118.16 120.64 1y1w n LYS 109 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 1y1w n LYS 109 Cb 0.60 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.66 1y1w n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1y1w n ASP 110 N -3.31 7.17 -4.30 4.39 5.75 -1.26 -4.90 116.55 120.09 1y1w n ASP 110 Ca 0.00 -3.48 -0.35 0.00 -0.01 0.00 0.00 54.79 50.94 1y1w n ASP 110 Cb 0.00 -1.03 -0.14 0.00 -1.03 0.00 0.00 41.12 38.93 1y1w n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1y1w s LEU 111 N -2.99 3.14 -0.18 -2.12 1.43 -0.59 -4.71 118.68 112.66 1y1w s LEU 111 Ca 0.51 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1y1w s LEU 111 Cb 0.40 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.87 1y1w s LEU 111 CO -0.04 -0.07 -0.17 -0.63 0.23 0.00 0.00 176.35 175.67 1y1w s ILE 112 N 1.46 2.34 0.10 -0.59 1.01 -1.16 -1.60 121.20 122.75 1y1w s ILE 112 Ca 0.04 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1y1w s ILE 112 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1y1w s ILE 112 CO -0.02 0.52 -0.17 0.00 0.00 0.00 0.00 174.94 175.27 1y1w s ALA 113 N 1.22 2.71 -0.00 9.38 0.00 -0.96 -3.36 121.76 130.75 1y1w s ALA 113 Ca 0.03 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.72 1y1w s ALA 113 Cb -0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1y1w s ALA 113 CO -0.09 0.60 -0.15 0.14 0.00 0.00 0.00 175.76 176.26 1y1w s VAL 114 N -1.12 1.17 0.10 0.00 -7.23 -1.08 -1.72 120.40 110.53 1y1w s VAL 114 Ca 0.18 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1y1w s VAL 114 Cb -0.11 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1y1w s VAL 114 CO 0.10 0.27 0.25 -0.31 -0.31 0.00 0.00 175.10 175.10 1y1w s TYR 115 N -0.44 3.50 0.04 2.82 1.51 -0.81 -1.49 117.35 122.49 1y1w s TYR 115 Ca 0.05 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1y1w s TYR 115 Cb -0.06 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1y1w s TYR 115 CO -0.00 0.55 -0.06 0.71 -1.11 0.00 0.00 175.55 175.64 1y1w s TYR 116 N -1.61 0.58 -0.09 2.71 1.51 0.15 -2.95 117.35 117.66 1y1w s TYR 116 Ca 0.35 -0.60 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1y1w s TYR 116 Cb -0.12 -0.36 0.05 0.00 -0.11 0.00 0.00 41.96 41.42 1y1w s TYR 116 CO 0.28 -0.14 0.19 0.45 -1.11 0.00 0.00 175.55 175.22 1y1w s SER 117 N -1.82 0.22 -0.84 2.29 0.15 0.47 0.59 113.70 114.76 1y1w s SER 117 Ca -0.08 0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.99 1y1w s SER 117 Cb -0.07 0.35 0.27 0.00 -1.71 0.00 0.00 66.02 64.86 1y1w s SER 117 CO -0.01 -0.20 1.03 0.49 1.20 0.00 0.00 173.24 175.74 1y1w n PHE 118 N 4.77 3.20 -3.86 3.44 3.01 -0.56 0.19 117.46 127.65 1y1w n PHE 118 Ca -0.16 -3.57 -0.27 0.00 1.01 0.00 0.00 57.45 54.46 1y1w n PHE 118 Cb 0.51 -0.90 0.02 0.00 -0.01 0.00 0.00 39.48 39.11 1y1w n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y1w n GLY 119 N 1.22 -0.41 0.00 1.37 0.00 -1.26 -3.33 105.19 102.78 1y1w n GLY 119 Ca 0.27 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1y1w n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y1w n GLY 120 N -1.67 1.10 3.38 -0.02 0.00 -1.26 -5.07 105.19 101.65 1y1w n GLY 120 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1y1w n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1w s LEU 121 N 0.00 4.55 0.80 0.99 1.43 -1.21 -5.07 118.68 120.17 1y1w s LEU 121 Ca 0.00 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 1y1w s LEU 121 Cb 0.00 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.32 1y1w s LEU 121 CO 0.00 -0.34 1.14 -0.76 0.23 0.00 0.00 176.35 176.62 1y1w s LEU 122 N 1.55 2.72 -0.09 1.79 1.43 -1.26 -1.50 118.68 123.33 1y1w s LEU 122 Ca 0.02 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 1y1w s LEU 122 Cb -0.19 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.27 1y1w s LEU 122 CO 0.06 -2.00 0.65 -0.32 0.23 0.00 0.00 176.35 174.96 1y1w s MET 123 N -5.49 0.96 -0.05 1.70 -2.45 0.20 -1.88 119.30 112.30 1y1w s MET 123 Ca 0.65 0.37 0.01 0.00 -1.25 0.00 0.00 55.69 55.47 1y1w s MET 123 Cb -0.08 0.46 0.02 0.00 1.25 0.00 0.00 34.83 36.47 1y1w s MET 123 CO 0.48 -0.26 -0.04 0.50 1.05 0.00 0.00 175.02 176.75 1y1w s ARG 124 N -0.85 0.80 0.23 4.11 3.52 0.11 0.34 118.95 127.20 1y1w s ARG 124 Ca -0.09 -0.08 0.11 0.00 -0.13 0.00 0.00 55.73 55.55 1y1w s ARG 124 Cb -0.02 -0.85 -0.05 0.00 -1.56 0.00 0.00 34.95 32.48 1y1w s ARG 124 CO 0.07 -0.11 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.09 1y1w s LEU 125 N 1.05 2.58 -0.14 -0.88 2.96 -0.55 -2.25 118.68 121.45 1y1w s LEU 125 Ca -0.09 -0.89 -0.10 0.00 -0.22 0.00 0.00 54.13 52.83 1y1w s LEU 125 Cb -0.14 -1.22 0.04 0.00 0.50 0.00 0.00 46.19 45.38 1y1w s LEU 125 CO -0.01 0.08 0.35 -0.70 -1.32 0.00 0.00 176.35 174.76 1y1w s GLU 126 N -3.05 0.37 0.00 1.98 2.12 -1.21 -2.63 118.70 116.28 1y1w s GLU 126 Ca 0.25 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1y1w s GLU 126 Cb -0.07 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1y1w s GLU 126 CO 0.13 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1y1w n GLY 127 N 3.57 -0.33 0.00 -1.50 0.00 -1.21 -3.25 105.19 102.46 1y1w n GLY 127 Ca -0.19 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1y1w n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y1w n ASN 128 N 0.00 0.00 -0.49 1.61 2.85 -1.26 -2.99 115.26 114.97 1y1w n ASN 128 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1y1w n ASN 128 Cb 0.00 0.00 0.43 0.00 1.24 0.00 0.00 39.78 41.45 1y1w n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y1w n TYR 129 N 0.00 0.00 0.17 1.20 0.18 -1.26 -4.01 117.16 113.45 1y1w n TYR 129 Ca 0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 1y1w n TYR 129 Cb 0.00 -0.02 0.10 0.00 -0.38 0.00 0.00 39.34 39.04 1y1w n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1y1w n ARG 130 N 0.16 1.89 -0.33 -3.48 3.00 -1.26 -4.41 116.66 112.22 1y1w n ARG 130 Ca 0.17 -1.20 0.26 0.00 -0.01 0.00 0.00 57.85 57.06 1y1w n ARG 130 Cb 0.39 -1.59 0.56 0.00 0.00 0.00 0.00 32.46 31.81 1y1w n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1y1w h ASN 131 N 0.84 0.36 0.00 0.55 2.35 -1.94 -1.84 115.58 115.91 1y1w h ASN 131 Ca 0.16 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1y1w h ASN 131 Cb 1.49 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.88 1y1w h ASN 131 CO 0.34 0.05 0.00 0.18 -1.65 0.00 0.00 177.43 176.35 1y1w n LEU 132 N -4.57 1.42 -0.06 1.61 4.77 -1.26 -4.81 117.00 114.09 1y1w n LEU 132 Ca 0.26 -1.42 -0.05 0.00 -0.03 0.00 0.00 56.01 54.77 1y1w n LEU 132 Cb 0.98 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.05 1y1w n LEU 132 CO 0.27 0.36 -0.37 0.59 -1.33 0.00 0.00 177.39 176.90 1y1w n ASN 133 N -0.26 1.43 -4.61 -1.43 3.02 -0.72 -4.90 115.26 107.79 1y1w n ASN 133 Ca 0.00 0.43 -0.43 0.00 -0.03 0.00 0.00 54.58 54.55 1y1w n ASN 133 Cb 0.17 -0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 1y1w n ASN 133 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1y1w s ASN 134 N -5.32 6.05 0.28 6.41 0.01 -1.04 -4.93 114.94 116.40 1y1w s ASN 134 Ca -0.16 1.51 0.00 0.00 -0.71 0.00 0.00 52.86 53.50 1y1w s ASN 134 Cb 0.02 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1y1w s ASN 134 CO 0.23 -1.54 0.00 0.18 -1.51 0.00 0.00 177.10 174.46 1y1w n LEU 135 N 9.63 0.00 0.00 0.60 4.77 -1.26 -4.96 117.00 125.78 1y1w n LEU 135 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1y1w n LEU 135 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1y1w n LEU 135 CO 0.67 -0.48 0.24 0.29 -1.33 0.00 0.00 177.39 176.77 1y1w n LYS 136 N -0.43 0.47 -2.22 3.23 5.02 -1.26 -5.09 118.16 117.88 1y1w n LYS 136 Ca 0.00 -0.57 -0.26 0.00 -2.02 0.00 0.00 58.31 55.46 1y1w n LYS 136 Cb 0.00 -0.65 0.09 0.00 -0.02 0.00 0.00 35.03 34.44 1y1w n LYS 136 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1y1w s GLN 137 N -0.20 1.95 0.04 1.97 -0.21 -1.26 -4.92 119.66 117.03 1y1w s GLN 137 Ca 0.00 -0.38 -0.32 0.00 0.02 0.00 0.00 55.36 54.67 1y1w s GLN 137 Cb 0.00 -2.15 -0.18 0.00 1.00 0.00 0.00 33.01 31.68 1y1w s GLN 137 CO 0.00 -1.40 1.36 1.49 -2.12 0.00 0.00 175.29 174.62 1y1w h GLU 138 N -0.71 -1.07 -4.22 2.91 4.81 -1.89 -3.40 114.58 111.02 1y1w h GLU 138 Ca -0.43 0.07 -0.55 0.00 -0.13 0.00 0.00 59.36 58.32 1y1w h GLU 138 Cb 1.30 0.24 0.04 0.00 0.63 0.00 0.00 28.75 30.96 1y1w h GLU 138 CO 0.55 -0.71 0.03 0.09 -0.73 0.00 0.00 179.01 178.25 1y1w n ASN 139 N -5.52 -0.03 0.00 1.04 3.02 -1.26 -4.27 115.26 108.24 1y1w n ASN 139 Ca -0.14 0.82 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1y1w n ASN 139 Cb 0.44 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1y1w n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y1w n ALA 140 N 1.03 0.00 -1.77 5.41 0.00 -1.26 -4.83 120.51 119.09 1y1w n ALA 140 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 1y1w n ALA 140 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 1y1w n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1y1w s TYR 141 N 0.00 3.67 0.15 0.00 1.51 -0.85 -3.70 117.35 118.14 1y1w s TYR 141 Ca 0.00 1.78 0.07 0.00 -1.01 0.00 0.00 57.07 57.91 1y1w s TYR 141 Cb 0.00 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.80 1y1w s TYR 141 CO 0.00 0.03 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.29 1y1w s LEU 142 N -1.91 3.30 0.04 -1.29 2.96 0.30 -4.11 118.68 117.98 1y1w s LEU 142 Ca 0.49 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1y1w s LEU 142 Cb -0.22 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1y1w s LEU 142 CO 0.28 0.11 0.04 -0.76 -1.32 0.00 0.00 176.35 174.70 1y1w s LEU 143 N -2.76 2.05 -0.12 -0.68 1.02 -1.10 -1.96 118.68 115.12 1y1w s LEU 143 Ca 0.26 -0.63 -0.15 0.00 0.02 0.00 0.00 54.13 53.63 1y1w s LEU 143 Cb -0.10 0.41 0.04 0.00 0.02 0.00 0.00 46.19 46.56 1y1w s LEU 143 CO 0.18 -0.48 0.40 -0.63 0.02 0.00 0.00 176.35 175.84 1y1w s ILE 144 N -2.66 0.01 0.00 -0.59 1.01 0.01 -3.04 121.20 115.94 1y1w s ILE 144 Ca -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 1y1w s ILE 144 Cb -0.01 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 1y1w s ILE 144 CO -0.05 -0.06 0.06 0.00 0.00 0.00 0.00 174.94 174.89 1y1w s ARG 145 N -0.17 0.32 0.00 2.79 1.70 -1.21 0.79 118.95 123.17 1y1w s ARG 145 Ca -0.03 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.86 1y1w s ARG 145 Cb -0.03 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1y1w s ARG 145 CO 0.02 -0.06 0.00 0.54 -1.08 0.00 0.00 175.30 174.71