#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3k s ASP 2 N 0.00 2.99 0.00 0.00 1.11 -1.26 -5.09 116.67 114.42 2h3k s ASP 2 Ca 0.00 0.57 0.00 0.00 0.18 0.00 0.00 52.55 53.30 2h3k s ASP 2 Cb 0.00 -0.83 0.00 0.00 1.07 0.00 0.00 42.92 43.16 2h3k s ASP 2 CO 0.00 -2.84 0.00 1.21 1.18 0.00 0.00 175.17 174.72 2h3k n GLU 3 N -3.89 3.87 -4.27 8.23 2.13 -1.26 -5.14 120.64 120.31 2h3k n GLU 3 Ca 0.12 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.76 2h3k n GLU 3 Cb 0.60 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.20 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2h3k s SER 4 N -0.69 2.17 0.40 4.31 0.01 -1.26 -4.87 113.70 113.77 2h3k s SER 4 Ca 0.00 -0.87 0.10 0.00 1.31 0.00 0.00 55.95 56.49 2h3k s SER 4 Cb 0.00 -0.09 0.83 0.00 0.21 0.00 0.00 66.02 66.97 2h3k s SER 4 CO 0.00 -0.15 1.95 0.25 0.41 0.00 0.00 173.24 175.70 2h3k h LEU 5 N 3.27 0.23 0.00 2.44 5.85 -1.79 -1.59 115.31 123.71 2h3k h LEU 5 Ca -0.40 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2h3k h LEU 5 Cb 1.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2h3k h LEU 5 CO 0.53 0.35 -0.06 0.50 -0.34 0.00 0.00 178.44 179.42 2h3k h LYS 6 N 0.24 0.00 -0.00 1.25 3.64 -1.73 -2.75 116.57 117.22 2h3k h LYS 6 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2h3k h LYS 6 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2h3k h LYS 6 CO 0.01 0.00 -0.78 -0.25 -2.27 0.00 0.00 179.45 176.17 2h3k n ASP 7 N -2.45 1.14 -0.05 4.20 8.00 -0.68 -4.35 116.55 122.37 2h3k n ASP 7 Ca 0.05 -0.99 -0.03 0.00 0.71 0.00 0.00 54.79 54.53 2h3k n ASP 7 Cb 0.46 0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 42.18 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h3k n ALA 8 N -1.14 1.88 0.10 2.24 0.00 -0.74 -4.44 120.51 118.41 2h3k n ALA 8 Ca 0.06 -0.73 0.20 0.00 0.00 0.00 0.00 53.44 52.96 2h3k n ALA 8 Cb 0.36 -0.13 0.67 0.00 0.00 0.00 0.00 19.45 20.35 2h3k n ALA 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2h3k h ILE 9 N 0.00 0.22 -2.06 0.00 3.07 -1.68 -3.34 117.51 113.71 2h3k h ILE 9 Ca -0.27 0.00 -0.54 0.00 1.55 0.00 0.00 64.86 65.60 2h3k h ILE 9 Cb 1.52 0.51 -0.08 0.00 -0.27 0.00 0.00 36.82 38.51 2h3k h ILE 9 CO 0.01 0.00 1.16 -0.75 -1.05 0.00 0.00 178.15 177.52 2h3k s LYS 10 N -4.46 3.20 -0.27 0.16 2.47 -1.26 -4.75 119.74 114.83 2h3k s LYS 10 Ca -0.04 -0.32 -0.25 0.00 -1.56 0.00 0.00 55.97 53.80 2h3k s LYS 10 Cb 0.13 -4.43 0.09 0.00 -1.46 0.00 0.00 37.83 32.16 2h3k s LYS 10 CO 0.46 -2.24 0.82 -0.51 0.16 0.00 0.00 175.35 174.03 2h3k s ASP 11 N 4.46 -0.65 0.34 1.43 1.11 -1.26 -5.03 116.67 117.07 2h3k s ASP 11 Ca 0.41 1.25 0.17 0.00 0.18 0.00 0.00 52.55 54.56 2h3k s ASP 11 Cb -0.07 1.27 0.53 0.00 1.07 0.00 0.00 42.92 45.72 2h3k s ASP 11 CO 0.11 -0.22 1.66 1.55 1.18 0.00 0.00 175.17 179.45 2h3k h PRO 12 N 4.71 0.00 0.00 8.23 0.13 -1.96 -1.32 132.00 141.78 2h3k h PRO 12 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2h3k h PRO 12 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2h3k h PRO 12 CO 0.07 0.44 -0.47 0.00 -0.23 0.00 0.00 178.00 177.81 2h3k h ALA 13 N 1.56 0.69 0.00 -0.56 0.00 -1.95 -3.32 119.26 115.68 2h3k h ALA 13 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h3k h ALA 13 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2h3k h ALA 13 CO 0.06 0.00 -1.85 1.28 0.00 0.00 0.00 179.25 178.74 2h3k n LEU 14 N -2.22 0.05 -0.30 0.00 4.77 -1.13 -4.24 117.00 113.93 2h3k n LEU 14 Ca 0.04 -0.03 0.26 0.00 -0.03 0.00 0.00 56.01 56.25 2h3k n LEU 14 Cb 0.45 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.12 2h3k n LEU 14 CO 0.35 0.01 1.25 -0.08 -1.33 0.00 0.00 177.39 177.59 2h3k h GLU 15 N 0.00 0.26 -0.70 3.23 4.81 -1.14 1.20 114.58 122.24 2h3k h GLU 15 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2h3k h GLU 15 Cb 0.87 -0.06 -0.18 0.00 0.63 0.00 0.00 28.75 30.01 2h3k h GLU 15 CO 0.00 0.17 -0.33 -0.80 -0.73 0.00 0.00 179.01 177.33 2h3k s ASN 16 N -5.31 -1.08 0.35 1.04 0.01 -1.26 -3.99 114.94 104.69 2h3k s ASN 16 Ca -0.07 -0.61 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 2h3k s ASN 16 Cb 0.24 1.38 -0.05 0.00 0.41 0.00 0.00 41.25 43.24 2h3k s ASN 16 CO 0.80 -0.11 0.12 -0.75 -1.51 0.00 0.00 177.10 175.64 2h3k s LYS 17 N 1.81 2.30 -0.99 -0.60 2.20 -1.26 -5.03 119.74 118.16 2h3k s LYS 17 Ca 0.16 -1.62 -0.02 0.00 -0.36 0.00 0.00 55.97 54.14 2h3k s LYS 17 Cb -0.01 -2.11 0.28 0.00 -1.51 0.00 0.00 37.83 34.49 2h3k s LYS 17 CO -0.10 0.09 2.02 -1.91 -0.36 0.00 0.00 175.35 175.10 2h3k n GLU 18 N -1.12 4.47 0.30 4.03 2.13 -1.26 -4.71 120.64 124.48 2h3k n GLU 18 Ca -0.03 -4.06 0.20 0.00 0.66 0.00 0.00 57.16 53.93 2h3k n GLU 18 Cb 0.62 -2.42 1.07 0.00 0.27 0.00 0.00 31.44 30.97 2h3k n GLU 18 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 2h3k h HIS 19 N 3.89 0.00 0.00 4.31 2.07 -1.96 -3.27 115.15 120.19 2h3k h HIS 19 Ca 0.56 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 57.41 2h3k h HIS 19 Cb 0.27 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.26 2h3k h HIS 19 CO 1.35 0.00 3.54 -0.40 -3.07 0.00 0.00 177.93 179.34 2h3k n ASP 20 N -2.91 6.84 -4.34 3.10 5.75 -1.26 -4.88 116.55 118.84 2h3k n ASP 20 Ca -0.02 -2.65 -0.22 0.00 -0.01 0.00 0.00 54.79 51.88 2h3k n ASP 20 Cb 0.08 -1.56 -0.11 0.00 -1.03 0.00 0.00 41.12 38.49 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2h3k s ILE 21 N 2.63 1.88 0.00 2.12 -1.09 -1.24 -5.06 121.20 120.44 2h3k s ILE 21 Ca 0.61 -1.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.09 2h3k s ILE 21 Cb 0.16 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 2h3k s ILE 21 CO -0.06 -0.30 0.00 0.61 -1.23 0.00 0.00 174.94 173.96 2h3k n GLY 22 N 0.28 -1.74 3.76 6.18 0.00 -1.26 -4.89 105.19 107.51 2h3k n GLY 22 Ca -0.13 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 2h3k n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2h3k s PRO 23 N 0.00 0.79 0.00 1.61 0.04 -1.26 -5.08 135.00 131.10 2h3k s PRO 23 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2h3k s PRO 23 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2h3k s PRO 23 CO 0.00 -2.43 0.00 -2.13 0.04 0.00 0.00 177.00 172.48 2h3k n ARG 24 N -3.92 0.00 -2.03 4.56 0.63 -1.26 -4.48 116.66 110.16 2h3k n ARG 24 Ca 0.07 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2h3k n ARG 24 Cb 0.59 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.50 2h3k n ARG 24 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2h3k n GLU 25 N -0.06 0.29 -4.82 -0.14 -0.58 -0.14 -4.94 120.64 110.24 2h3k n GLU 25 Ca 0.00 -0.04 -0.25 0.00 -0.42 0.00 0.00 57.16 56.44 2h3k n GLU 25 Cb 0.00 0.03 -0.16 0.00 -0.57 0.00 0.00 31.44 30.74 2h3k n GLU 25 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2h3k s GLN 26 N -2.02 1.59 -0.07 3.49 -2.07 -1.26 -2.46 119.66 116.86 2h3k s GLN 26 Ca 0.00 -0.61 -0.05 0.00 -1.82 0.00 0.00 55.36 52.89 2h3k s GLN 26 Cb 0.00 -1.45 0.03 0.00 -1.09 0.00 0.00 33.01 30.50 2h3k s GLN 26 CO 0.00 0.30 0.18 0.08 -1.32 0.00 0.00 175.29 174.53 2h3k s VAL 27 N -0.16 -0.02 0.53 3.63 1.01 0.29 -4.87 120.40 120.82 2h3k s VAL 27 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2h3k s VAL 27 Cb -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2h3k s VAL 27 CO 0.01 0.03 0.79 0.21 0.00 0.00 0.00 175.10 176.14 2h3k s ASN 28 N 0.55 5.58 -0.01 3.32 3.84 -1.26 0.17 114.94 127.12 2h3k s ASN 28 Ca -0.04 0.39 0.02 0.00 0.21 0.00 0.00 52.86 53.45 2h3k s ASN 28 Cb -0.05 -1.44 -0.00 0.00 -0.55 0.00 0.00 41.25 39.20 2h3k s ASN 28 CO -0.03 -0.97 -0.08 0.72 -2.79 0.00 0.00 177.10 173.95 2h3k s PHE 29 N -2.79 0.76 -0.36 0.43 -0.12 -1.26 0.13 117.98 114.77 2h3k s PHE 29 Ca 0.53 -0.15 -0.15 0.00 -0.05 0.00 0.00 56.93 57.11 2h3k s PHE 29 Cb -0.10 -0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 41.78 2h3k s PHE 29 CO 0.41 -0.03 0.33 -0.65 -0.05 0.00 0.00 175.22 175.23 2h3k s GLN 30 N -0.11 3.39 -0.28 1.99 1.11 0.14 -4.90 119.66 121.00 2h3k s GLN 30 Ca 0.02 -0.62 -0.23 0.00 0.01 0.00 0.00 55.36 54.53 2h3k s GLN 30 Cb -0.04 -3.86 -0.00 0.00 -1.01 0.00 0.00 33.01 28.10 2h3k s GLN 30 CO -0.00 -0.58 0.78 -0.51 0.01 0.00 0.00 175.29 174.99 2h3k s LEU 31 N 1.90 4.08 -0.15 2.90 1.43 -1.26 -1.06 118.68 126.52 2h3k s LEU 31 Ca 0.09 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2h3k s LEU 31 Cb -0.17 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 43.01 2h3k s LEU 31 CO 0.11 -0.57 -0.02 -0.76 0.23 0.00 0.00 176.35 175.35 2h3k s LEU 32 N 2.89 1.29 0.00 1.79 1.43 -1.05 -2.92 118.68 122.10 2h3k s LEU 32 Ca 0.32 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2h3k s LEU 32 Cb -0.15 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.34 2h3k s LEU 32 CO 0.11 -0.21 0.00 0.47 0.23 0.00 0.00 176.35 176.94 2h3k n ASP 33 N 4.97 0.00 -1.18 2.29 9.92 -1.25 -1.99 116.55 129.32 2h3k n ASP 33 Ca -0.10 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.20 2h3k n ASP 33 Cb 0.48 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 41.17 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2h3k n LYS 34 N 0.00 2.93 -0.30 -1.24 4.81 -1.26 -3.76 118.16 119.33 2h3k n LYS 34 Ca 0.00 -1.60 0.04 0.00 -0.87 0.00 0.00 58.31 55.88 2h3k n LYS 34 Cb 0.00 -1.85 0.06 0.00 0.02 0.00 0.00 35.03 33.26 2h3k n LYS 34 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2h3k n ASN 35 N 0.35 0.98 -4.00 3.14 5.03 -1.26 -4.99 115.26 114.51 2h3k n ASN 35 Ca 0.14 -2.41 -0.30 0.00 0.87 0.00 0.00 54.58 52.88 2h3k n ASN 35 Cb 0.71 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2h3k n ASN 36 N -0.59 -3.27 -4.30 6.41 4.13 -1.25 -4.95 115.26 111.45 2h3k n ASN 36 Ca 0.06 -0.89 -0.33 0.00 1.68 0.00 0.00 54.58 55.10 2h3k n ASN 36 Cb 0.66 -3.43 -0.15 0.00 -1.54 0.00 0.00 39.78 35.33 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2h3k s GLU 37 N -6.64 3.28 0.26 3.52 2.02 -1.26 -4.97 118.70 114.91 2h3k s GLU 37 Ca 0.52 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 2h3k s GLU 37 Cb -0.27 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 2h3k s GLU 37 CO 0.87 0.05 1.07 0.99 0.02 0.00 0.00 175.26 178.25 2h3k s THR 38 N 0.76 3.64 -0.67 3.63 2.01 -1.25 -3.81 115.64 119.95 2h3k s THR 38 Ca -0.05 1.63 0.04 0.00 0.31 0.00 0.00 61.69 63.61 2h3k s THR 38 Cb -0.15 -4.03 0.16 0.00 0.01 0.00 0.00 72.50 68.49 2h3k s THR 38 CO 0.01 0.38 0.46 -1.10 -0.69 0.00 0.00 174.62 173.67 2h3k s GLN 39 N -1.26 2.42 -0.20 4.92 -0.21 -1.15 -4.90 119.66 119.29 2h3k s GLN 39 Ca 0.44 -3.10 -0.18 0.00 0.02 0.00 0.00 55.36 52.54 2h3k s GLN 39 Cb -0.30 -3.47 -0.20 0.00 1.00 0.00 0.00 33.01 30.03 2h3k s GLN 39 CO 0.39 -1.23 0.21 0.66 -2.12 0.00 0.00 175.29 173.19 2h3k n TYR 40 N 2.40 1.00 -0.22 0.91 4.02 -1.26 -4.18 117.16 119.84 2h3k n TYR 40 Ca 0.15 0.38 0.05 0.00 -0.01 0.00 0.00 57.90 58.47 2h3k n TYR 40 Cb 0.34 -1.11 0.26 0.00 -0.02 0.00 0.00 39.34 38.82 2h3k n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2h3k n TYR 41 N -4.23 1.35 -1.56 -0.72 4.01 -1.26 -4.06 117.16 110.68 2h3k n TYR 41 Ca -0.34 -0.47 0.03 0.00 -0.16 0.00 0.00 57.90 56.96 2h3k n TYR 41 Cb 0.77 -0.36 0.21 0.00 -0.31 0.00 0.00 39.34 39.64 2h3k n TYR 41 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2h3k n HIS 42 N 0.43 0.31 -4.11 -0.72 8.25 -1.26 -4.99 115.22 113.13 2h3k n HIS 42 Ca 0.18 -1.53 -0.19 0.00 -0.26 0.00 0.00 57.72 55.92 2h3k n HIS 42 Cb 0.86 -0.32 -0.16 0.00 1.12 0.00 0.00 29.99 31.49 2h3k n HIS 42 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2h3k s PHE 43 N -3.25 0.61 -0.03 4.41 0.08 -1.26 -5.01 117.98 113.54 2h3k s PHE 43 Ca 0.40 -0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.37 2h3k s PHE 43 Cb 0.38 -0.56 -0.09 0.00 -0.57 0.00 0.00 43.02 42.18 2h3k s PHE 43 CO -0.05 -0.15 0.10 1.19 -0.10 0.00 0.00 175.22 176.20 2h3k n PHE 44 N 3.95 0.00 0.00 0.36 3.72 -1.26 -4.83 117.46 119.40 2h3k n PHE 44 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2h3k n PHE 44 Cb 0.51 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2h3k n PHE 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2h3k n SER 45 N -1.90 0.00 -4.77 4.37 2.88 -1.26 -4.35 113.62 108.59 2h3k n SER 45 Ca -0.04 0.35 -0.39 0.00 -1.33 0.00 0.00 58.87 57.45 2h3k n SER 45 Cb 0.36 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.81 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2h3k s ILE 46 N -0.69 2.83 0.00 2.46 1.09 -1.23 0.30 121.20 125.96 2h3k s ILE 46 Ca 0.00 0.74 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 2h3k s ILE 46 Cb 0.00 -3.43 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 2h3k s ILE 46 CO 0.00 0.10 0.00 0.29 -0.10 0.00 0.00 174.94 175.23 2h3k n LYS 47 N 0.19 2.27 -3.66 2.79 5.02 -1.26 -4.90 118.16 118.61 2h3k n LYS 47 Ca 0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2h3k n LYS 47 Cb 0.44 -0.94 -0.02 0.00 -0.02 0.00 0.00 35.03 34.50 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h3k s ASP 48 N -3.14 4.89 0.72 4.39 1.01 -1.26 -5.11 116.67 118.18 2h3k s ASP 48 Ca 0.00 -0.92 -0.12 0.00 0.71 0.00 0.00 52.55 52.23 2h3k s ASP 48 Cb 0.00 -0.23 0.03 0.00 1.01 0.00 0.00 42.92 43.73 2h3k s ASP 48 CO 0.00 -0.82 1.08 -2.16 0.21 0.00 0.00 175.17 173.48 2h3k s PRO 49 N -4.19 2.58 0.04 8.23 0.04 -1.26 -4.78 135.00 135.65 2h3k s PRO 49 Ca 0.45 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 2h3k s PRO 49 Cb -0.03 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 2h3k s PRO 49 CO 0.26 -1.39 1.48 0.00 0.04 0.00 0.00 177.00 177.39 2h3k s ALA 50 N -2.81 3.62 0.08 8.56 0.00 0.45 -4.68 121.76 126.98 2h3k s ALA 50 Ca 0.62 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.49 2h3k s ALA 50 Cb -0.17 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 2h3k s ALA 50 CO 0.52 -0.94 0.40 -0.51 0.00 0.00 0.00 175.76 175.23 2h3k s ASP 51 N 1.94 6.64 -0.11 0.00 1.11 0.63 0.11 116.67 126.99 2h3k s ASP 51 Ca 0.67 0.79 -0.03 0.00 0.18 0.00 0.00 52.55 54.16 2h3k s ASP 51 Cb -0.35 -2.18 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 2h3k s ASP 51 CO 0.29 0.17 0.03 -0.69 1.18 0.00 0.00 175.17 176.15 2h3k s VAL 52 N -1.40 4.54 -0.75 -1.27 1.01 -1.03 0.16 120.40 121.66 2h3k s VAL 52 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 2h3k s VAL 52 Cb -0.14 -2.94 0.19 0.00 0.00 0.00 0.00 36.38 33.49 2h3k s VAL 52 CO 0.18 0.59 0.59 -0.31 0.00 0.00 0.00 175.10 176.15 2h3k s TYR 53 N -0.71 3.62 0.07 5.22 1.51 0.17 -0.96 117.35 126.27 2h3k s TYR 53 Ca 0.12 -2.93 -0.31 0.00 -1.01 0.00 0.00 57.07 52.93 2h3k s TYR 53 Cb -0.12 -3.16 -0.07 0.00 -0.11 0.00 0.00 41.96 38.51 2h3k s TYR 53 CO 0.02 -0.76 1.46 0.71 -1.11 0.00 0.00 175.55 175.88 2h3k s TYR 54 N -0.78 2.90 0.00 2.71 2.02 -1.26 -1.70 117.35 121.24 2h3k s TYR 54 Ca 0.22 0.74 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 2h3k s TYR 54 Cb -0.13 -3.75 0.00 0.00 -0.40 0.00 0.00 41.96 37.67 2h3k s TYR 54 CO -0.09 -2.81 0.00 0.25 -1.57 0.00 0.00 175.55 171.33 2h3k n THR 55 N 4.39 0.00 0.17 -0.71 -2.24 -1.25 -4.66 114.28 109.98 2h3k n THR 55 Ca 0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 2h3k n THR 55 Cb 0.42 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.75 2h3k n THR 55 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 3.64 -1.94 -3.40 116.57 114.09 2h3k h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h3k h LYS 56 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2h3k h LYS 56 CO 0.00 0.10 0.00 1.63 -2.27 0.00 0.00 179.45 178.91 2h3k n LYS 57 N -3.03 0.00 -3.86 1.90 4.76 -1.26 -4.97 118.16 111.70 2h3k n LYS 57 Ca 0.02 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.41 2h3k n LYS 57 Cb 0.58 -0.37 -0.09 0.00 -1.84 0.00 0.00 35.03 33.32 2h3k n LYS 57 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2h3k s LYS 58 N -0.58 0.68 0.95 1.97 2.47 -1.26 -4.85 119.74 119.11 2h3k s LYS 58 Ca 0.00 -0.64 -0.11 0.00 -1.56 0.00 0.00 55.97 53.66 2h3k s LYS 58 Cb 0.00 0.28 0.17 0.00 -1.46 0.00 0.00 37.83 36.81 2h3k s LYS 58 CO 0.00 -0.19 1.11 0.00 0.16 0.00 0.00 175.35 176.43 2h3k s ALA 59 N -2.55 1.12 -0.31 3.13 0.00 -1.26 -3.88 121.76 118.00 2h3k s ALA 59 Ca -0.05 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2h3k s ALA 59 Cb -0.01 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 19.85 2h3k s ALA 59 CO -0.04 -2.87 0.15 -1.21 0.00 0.00 0.00 175.76 171.79 2h3k s GLU 60 N -4.66 0.40 0.09 0.00 2.02 -0.69 -3.27 118.70 112.59 2h3k s GLU 60 Ca 0.66 -0.86 -0.31 0.00 0.02 0.00 0.00 54.97 54.49 2h3k s GLU 60 Cb -0.22 -1.38 -0.07 0.00 0.10 0.00 0.00 34.13 32.56 2h3k s GLU 60 CO 0.59 -1.06 1.37 0.54 0.02 0.00 0.00 175.26 176.72 2h3k s VAL 61 N 1.72 3.46 0.07 2.63 0.11 -1.00 -0.65 120.40 126.73 2h3k s VAL 61 Ca 0.11 1.02 0.07 0.00 -2.93 0.00 0.00 61.98 60.25 2h3k s VAL 61 Cb -0.18 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2h3k s VAL 61 CO -0.25 0.06 -0.18 -0.70 -3.33 0.00 0.00 175.10 170.70 2h3k s GLU 62 N 1.37 1.08 0.04 1.54 2.12 0.42 -2.39 118.70 122.89 2h3k s GLU 62 Ca 0.64 -0.98 -0.00 0.00 0.36 0.00 0.00 54.97 54.99 2h3k s GLU 62 Cb -0.35 -1.20 -0.03 0.00 0.26 0.00 0.00 34.13 32.81 2h3k s GLU 62 CO 0.29 0.29 -0.03 -0.48 -0.54 0.00 0.00 175.26 174.79 2h3k s LEU 63 N -1.54 2.40 0.45 2.70 2.34 -0.80 -0.27 118.68 123.96 2h3k s LEU 63 Ca 0.04 -0.82 0.01 0.00 0.06 0.00 0.00 54.13 53.42 2h3k s LEU 63 Cb -0.09 0.14 -0.00 0.00 -0.56 0.00 0.00 46.19 45.67 2h3k s LEU 63 CO 0.03 -0.48 0.66 -0.62 -1.06 0.00 0.00 176.35 174.88 2h3k s ASP 64 N -2.40 5.81 -0.31 1.48 2.15 -1.26 -3.07 116.67 119.07 2h3k s ASP 64 Ca -0.01 0.23 -0.01 0.00 0.43 0.00 0.00 52.55 53.19 2h3k s ASP 64 Cb 0.01 -1.47 0.13 0.00 -0.30 0.00 0.00 42.92 41.29 2h3k s ASP 64 CO -0.06 -0.70 0.24 -0.63 -0.17 0.00 0.00 175.17 173.85 2h3k s ILE 65 N -2.54 -0.21 0.45 4.11 1.09 -0.59 -3.55 121.20 119.97 2h3k s ILE 65 Ca 0.49 -0.81 0.40 0.00 -1.10 0.00 0.00 60.65 59.62 2h3k s ILE 65 Cb -0.10 -0.96 0.41 0.00 -1.06 0.00 0.00 42.46 40.75 2h3k s ILE 65 CO 0.37 -0.64 2.22 -1.13 -0.10 0.00 0.00 174.94 175.66 2h3k h ASN 66 N 7.96 0.00 -2.21 3.58 -1.24 -0.29 -1.91 115.58 121.47 2h3k h ASN 66 Ca -0.10 0.00 -0.60 0.00 0.71 0.00 0.00 56.30 56.31 2h3k h ASN 66 Cb 1.04 0.00 -0.42 0.00 0.73 0.00 0.00 38.32 39.67 2h3k h ASN 66 CO 0.34 0.00 -0.60 0.35 -1.29 0.00 0.00 177.43 176.23 2h3k n THR 67 N -2.95 3.10 0.30 -3.57 -2.24 -1.22 -4.45 114.28 103.24 2h3k n THR 67 Ca -0.02 -5.53 0.18 0.00 -2.27 0.00 0.00 64.05 56.41 2h3k n THR 67 Cb 0.10 -1.39 0.87 0.00 -2.10 0.00 0.00 70.33 67.81 2h3k n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h3k h ALA 68 N 2.97 1.04 0.00 6.98 0.00 -1.61 -1.87 119.26 126.79 2h3k h ALA 68 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2h3k h ALA 68 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2h3k h ALA 68 CO 0.83 0.03 0.00 0.45 0.00 0.00 0.00 179.25 180.57 2h3k n SER 69 N -3.18 0.80 0.01 0.00 2.88 -1.26 -3.08 113.62 109.79 2h3k n SER 69 Ca -0.01 0.60 0.12 0.00 -1.33 0.00 0.00 58.87 58.24 2h3k n SER 69 Cb 0.22 -0.80 0.16 0.00 -0.75 0.00 0.00 64.21 63.04 2h3k n SER 69 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2h3k n THR 70 N -2.27 0.06 -3.20 2.46 -2.24 -0.70 -4.87 114.28 103.52 2h3k n THR 70 Ca 0.05 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 2h3k n THR 70 Cb 0.39 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 2h3k n THR 70 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2h3k s TRP 71 N -3.05 3.67 -0.14 4.78 0.52 -1.18 -3.54 118.94 120.00 2h3k s TRP 71 Ca 0.09 1.19 -0.11 0.00 0.02 0.00 0.00 56.10 57.29 2h3k s TRP 71 Cb 0.16 -2.62 -0.06 0.00 -1.15 0.00 0.00 33.47 29.80 2h3k s TRP 71 CO 0.74 0.32 -0.24 1.17 0.02 0.00 0.00 176.95 178.96 2h3k n LYS 72 N 2.86 0.38 -4.54 4.98 3.00 -1.25 -3.50 118.16 120.10 2h3k n LYS 72 Ca -0.06 0.16 -0.26 0.00 -0.00 0.00 0.00 58.31 58.15 2h3k n LYS 72 Cb 0.51 -1.15 -0.09 0.00 0.00 0.00 0.00 35.03 34.31 2h3k n LYS 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2h3k s LYS 73 N -2.47 1.88 -0.30 1.64 2.20 -1.26 -3.03 119.74 118.40 2h3k s LYS 73 Ca -0.23 -2.13 -0.18 0.00 -0.36 0.00 0.00 55.97 53.08 2h3k s LYS 73 Cb 0.07 -0.88 0.18 0.00 -1.51 0.00 0.00 37.83 35.69 2h3k s LYS 73 CO 0.31 -0.35 1.19 0.12 -0.36 0.00 0.00 175.35 176.27 2h3k s PHE 74 N -3.16 -0.26 -0.31 4.03 5.36 -1.23 -4.27 117.98 118.14 2h3k s PHE 74 Ca 0.26 0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 56.61 2h3k s PHE 74 Cb 0.05 0.14 0.13 0.00 -0.34 0.00 0.00 43.02 42.99 2h3k s PHE 74 CO 0.13 -0.13 0.23 -1.21 -1.46 0.00 0.00 175.22 172.78 2h3k s GLU 75 N 2.36 0.37 0.44 10.12 2.02 -0.13 -4.58 118.70 129.30 2h3k s GLU 75 Ca -0.02 -0.65 -0.24 0.00 0.02 0.00 0.00 54.97 54.08 2h3k s GLU 75 Cb -0.04 -0.99 -0.08 0.00 0.10 0.00 0.00 34.13 33.12 2h3k s GLU 75 CO -0.15 -1.09 1.20 0.08 0.02 0.00 0.00 175.26 175.32 2h3k s VAL 76 N 1.85 2.97 -0.12 2.63 1.01 -1.24 -2.75 120.40 124.74 2h3k s VAL 76 Ca 0.12 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.82 2h3k s VAL 76 Cb -0.17 -3.41 0.06 0.00 0.00 0.00 0.00 36.38 32.86 2h3k s VAL 76 CO -0.23 0.03 0.25 -0.47 0.00 0.00 0.00 175.10 174.69 2h3k s TYR 77 N -1.45 -0.40 0.16 5.22 5.04 0.88 -0.88 117.35 125.93 2h3k s TYR 77 Ca 0.61 0.93 0.10 0.00 -2.44 0.00 0.00 57.07 56.28 2h3k s TYR 77 Cb -0.31 -0.05 -0.04 0.00 0.35 0.00 0.00 41.96 41.91 2h3k s TYR 77 CO 0.39 -0.34 -0.22 -1.83 -1.34 0.00 0.00 175.55 172.20 2h3k s GLU 78 N 2.31 1.38 1.15 4.97 -1.05 -0.84 -1.34 118.70 125.28 2h3k s GLU 78 Ca 0.00 -1.42 0.00 0.00 -0.15 0.00 0.00 54.97 53.41 2h3k s GLU 78 Cb -0.12 -1.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 2h3k s GLU 78 CO -0.08 0.36 0.00 0.09 0.95 0.00 0.00 175.26 176.58 2h3k n ASN 79 N 0.49 0.00 -2.36 0.83 3.02 -1.26 -1.82 115.26 114.16 2h3k n ASN 79 Ca -0.15 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.38 2h3k n ASN 79 Cb 0.55 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.80 2h3k n ASN 79 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2h3k n ASN 80 N 2.10 -0.56 -3.74 6.41 0.23 -1.26 -5.11 115.26 113.32 2h3k n ASN 80 Ca 0.00 -2.13 -0.13 0.00 -0.53 0.00 0.00 54.58 51.79 2h3k n ASN 80 Cb 0.00 0.30 -0.10 0.00 -2.08 0.00 0.00 39.78 37.90 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2h3k s GLN 81 N -0.77 0.46 -0.56 -3.83 2.00 -0.76 -5.11 119.66 111.09 2h3k s GLN 81 Ca 0.13 0.50 -0.17 0.00 -2.00 0.00 0.00 55.36 53.82 2h3k s GLN 81 Cb 0.34 0.22 0.12 0.00 0.80 0.00 0.00 33.01 34.49 2h3k s GLN 81 CO -0.09 -0.06 0.57 0.21 -0.50 0.00 0.00 175.29 175.42 2h3k s LYS 82 N 0.13 3.01 -0.02 1.67 2.47 -1.26 -1.99 119.74 123.75 2h3k s LYS 82 Ca -0.01 -1.55 -0.30 0.00 -1.56 0.00 0.00 55.97 52.55 2h3k s LYS 82 Cb -0.03 -4.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.02 2h3k s LYS 82 CO 0.01 -1.39 1.33 -0.51 0.16 0.00 0.00 175.35 174.95 2h3k s LEU 83 N 2.00 4.30 -0.04 5.43 1.43 -0.06 -4.93 118.68 126.81 2h3k s LEU 83 Ca 0.06 2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 2h3k s LEU 83 Cb -0.28 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2h3k s LEU 83 CO 0.04 -0.68 1.36 -2.16 0.23 0.00 0.00 176.35 175.15 2h3k s PRO 84 N 2.35 4.28 0.55 1.29 0.04 -1.26 -3.64 135.00 138.61 2h3k s PRO 84 Ca 0.61 1.88 -0.17 0.00 0.04 0.00 0.00 61.00 63.36 2h3k s PRO 84 Cb -0.29 -3.64 -0.06 0.00 0.04 0.00 0.00 34.50 30.55 2h3k s PRO 84 CO 0.25 -0.60 1.03 0.54 0.04 0.00 0.00 177.00 178.26 2h3k s VAL 85 N 2.69 4.07 0.06 -0.36 0.11 -1.26 -4.92 120.40 120.80 2h3k s VAL 85 Ca 0.62 1.04 0.05 0.00 -2.93 0.00 0.00 61.98 60.75 2h3k s VAL 85 Cb -0.29 -3.51 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 2h3k s VAL 85 CO 0.24 -0.53 -0.13 0.00 -3.33 0.00 0.00 175.10 171.35 2h3k s ARG 86 N -3.94 0.79 -0.43 1.54 3.03 -1.25 -5.00 118.95 113.69 2h3k s ARG 86 Ca 0.62 -0.91 -0.15 0.00 2.03 0.00 0.00 55.73 57.33 2h3k s ARG 86 Cb -0.14 -0.78 0.05 0.00 -1.03 0.00 0.00 34.95 33.05 2h3k s ARG 86 CO 0.32 0.17 0.33 -1.17 -1.13 0.00 0.00 175.30 173.82 2h3k s LEU 87 N -1.65 5.31 0.11 -1.89 2.96 -1.26 -2.82 118.68 119.44 2h3k s LEU 87 Ca -0.02 -1.13 -0.08 0.00 -0.22 0.00 0.00 54.13 52.67 2h3k s LEU 87 Cb -0.10 -2.15 -0.14 0.00 0.50 0.00 0.00 46.19 44.31 2h3k s LEU 87 CO 0.02 -0.54 1.27 -0.37 -1.32 0.00 0.00 176.35 175.42 2h3k h VAL 88 N 5.73 1.34 -2.91 1.68 -1.51 -1.72 -3.47 116.25 115.40 2h3k h VAL 88 Ca -0.27 -2.30 -0.05 0.00 -1.23 0.00 0.00 66.70 62.85 2h3k h VAL 88 Cb 1.11 2.33 -0.15 0.00 -2.13 0.00 0.00 31.29 32.46 2h3k h VAL 88 CO 0.79 0.70 0.05 -0.55 -1.23 0.00 0.00 177.57 177.33 2h3k s SER 89 N -7.15 -0.43 -0.15 4.19 0.15 -1.22 -4.82 113.70 104.26 2h3k s SER 89 Ca -0.08 0.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.57 2h3k s SER 89 Cb 0.08 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 2h3k s SER 89 CO 0.89 -0.79 0.35 -0.47 1.20 0.00 0.00 173.24 174.42 2h3k s TYR 90 N -2.90 -0.55 0.53 3.44 5.04 0.41 -0.35 117.35 122.97 2h3k s TYR 90 Ca -0.03 1.17 -0.19 0.00 -2.44 0.00 0.00 57.07 55.58 2h3k s TYR 90 Cb -0.00 0.18 -0.06 0.00 0.35 0.00 0.00 41.96 42.42 2h3k s TYR 90 CO -0.05 -0.35 1.06 0.45 -1.34 0.00 0.00 175.55 175.32 2h3k s SER 91 N 1.76 6.04 0.91 4.32 0.15 0.46 -2.98 113.70 124.36 2h3k s SER 91 Ca -0.06 1.96 -0.12 0.00 0.70 0.00 0.00 55.95 58.43 2h3k s SER 91 Cb -0.10 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 61.79 2h3k s SER 91 CO -0.11 -0.99 1.09 -2.16 1.20 0.00 0.00 173.24 172.27 2h3k s PRO 92 N -3.47 1.18 0.11 5.44 0.04 -1.26 -3.89 135.00 133.15 2h3k s PRO 92 Ca 0.68 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2h3k s PRO 92 Cb -0.18 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2h3k s PRO 92 CO 0.26 -2.30 0.79 0.28 0.04 0.00 0.00 177.00 176.07 2h3k n VAL 93 N -3.92 -0.29 -0.02 -0.36 0.31 -1.26 0.16 118.33 112.94 2h3k n VAL 93 Ca 0.07 1.20 0.07 0.00 -0.01 0.00 0.00 64.34 65.67 2h3k n VAL 93 Cb 0.55 -1.55 0.46 0.00 -0.91 0.00 0.00 33.84 32.39 2h3k n VAL 93 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2h3k h PRO 94 N 0.00 0.47 0.03 5.55 0.13 -2.03 -1.94 132.00 134.20 2h3k h PRO 94 Ca 0.15 -0.03 -0.29 0.00 -0.87 0.00 0.00 66.00 64.96 2h3k h PRO 94 Cb 0.27 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.26 2h3k h PRO 94 CO -0.50 0.31 -1.61 0.93 -0.23 0.00 0.00 178.00 176.91 2h3k h GLU 95 N 0.48 0.07 -6.88 0.86 4.39 0.12 -3.48 114.58 110.14 2h3k h GLU 95 Ca 0.19 -0.12 -0.57 0.00 0.34 0.00 0.00 59.36 59.19 2h3k h GLU 95 Cb 0.16 0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 28.63 2h3k h GLU 95 CO -0.05 0.75 -0.90 -3.47 -1.16 0.00 0.00 179.01 174.19 2h3k n ASP 96 N -3.21 -1.29 -4.13 1.42 -0.08 0.21 -4.92 116.55 104.56 2h3k n ASP 96 Ca -0.16 -1.13 -0.32 0.00 -1.51 0.00 0.00 54.79 51.67 2h3k n ASP 96 Cb 1.03 -2.28 -0.16 0.00 2.34 0.00 0.00 41.12 42.05 2h3k n ASP 96 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2h3k s HIS 97 N -3.69 2.56 0.07 -0.67 3.76 -1.25 -3.45 115.29 112.62 2h3k s HIS 97 Ca 0.42 -1.37 0.05 0.00 -0.15 0.00 0.00 55.06 54.02 2h3k s HIS 97 Cb -0.24 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 2h3k s HIS 97 CO 0.96 -0.66 -0.06 0.00 -0.85 0.00 0.00 174.74 174.13 2h3k s ALA 98 N 1.04 3.06 -0.20 -1.40 0.00 -0.73 0.17 121.76 123.71 2h3k s ALA 98 Ca -0.02 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2h3k s ALA 98 Cb -0.14 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 21.96 2h3k s ALA 98 CO -0.06 0.65 -0.14 0.71 0.00 0.00 0.00 175.76 176.92 2h3k s TYR 99 N -1.17 2.64 0.25 0.00 2.02 0.52 -1.54 117.35 120.08 2h3k s TYR 99 Ca 0.21 -1.69 0.05 0.00 -0.37 0.00 0.00 57.07 55.27 2h3k s TYR 99 Cb -0.11 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 2h3k s TYR 99 CO 0.13 -0.78 -0.04 0.96 -1.57 0.00 0.00 175.55 174.25 2h3k s ILE 100 N 1.32 1.39 -0.24 2.71 -5.25 -1.18 -1.79 121.20 118.16 2h3k s ILE 100 Ca 0.00 -2.09 -0.27 0.00 -0.99 0.00 0.00 60.65 57.30 2h3k s ILE 100 Cb -0.15 -2.38 0.14 0.00 2.95 0.00 0.00 42.46 43.02 2h3k s ILE 100 CO -0.09 -0.33 1.13 0.00 -1.79 0.00 0.00 174.94 173.86 2h3k s ARG 101 N -3.78 0.41 0.20 0.37 1.70 -1.13 -1.91 118.95 114.82 2h3k s ARG 101 Ca 0.28 0.27 0.07 0.00 -0.47 0.00 0.00 55.73 55.88 2h3k s ARG 101 Cb 0.04 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2h3k s ARG 101 CO 0.10 -0.09 -0.12 -0.59 -1.08 0.00 0.00 175.30 173.52 2h3k s PHE 102 N -0.47 1.64 0.73 5.89 -0.71 -1.00 -3.81 117.98 120.24 2h3k s PHE 102 Ca 0.03 -0.65 -0.11 0.00 -1.04 0.00 0.00 56.93 55.16 2h3k s PHE 102 Cb -0.03 -0.81 0.03 0.00 -1.21 0.00 0.00 43.02 41.01 2h3k s PHE 102 CO -0.05 0.27 1.08 -1.25 -1.34 0.00 0.00 175.22 173.92 2h3k s PRO 103 N -3.69 2.60 -0.28 1.99 0.04 -1.26 -2.38 135.00 132.02 2h3k s PRO 103 Ca 0.22 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 2h3k s PRO 103 Cb 0.01 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.70 2h3k s PRO 103 CO 0.06 -1.37 0.12 0.14 0.04 0.00 0.00 177.00 175.99 2h3k s VAL 104 N -2.96 0.08 0.31 -0.36 -7.23 -1.20 -4.90 120.40 104.14 2h3k s VAL 104 Ca 0.60 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.96 2h3k s VAL 104 Cb -0.16 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2h3k s VAL 104 CO 0.55 -0.66 0.54 -0.94 -0.31 0.00 0.00 175.10 174.28 2h3k s SER 105 N 2.03 6.37 -1.47 4.85 1.04 -1.26 -4.21 113.70 121.05 2h3k s SER 105 Ca 0.08 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2h3k s SER 105 Cb -0.16 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2h3k s SER 105 CO -0.32 -0.23 0.00 -0.67 0.98 0.00 0.00 173.24 173.00 2h3k n ASP 106 N -1.28 -4.66 -1.57 7.02 -0.08 -1.26 -2.23 116.55 112.49 2h3k n ASP 106 Ca -0.03 0.28 -0.14 0.00 -1.51 0.00 0.00 54.79 53.38 2h3k n ASP 106 Cb 0.55 -3.52 -0.01 0.00 2.34 0.00 0.00 41.12 40.48 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2h3k n GLY 107 N -1.17 -0.06 2.74 0.27 0.00 -1.23 -4.86 105.19 100.88 2h3k n GLY 107 Ca -0.15 -0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.11 2h3k n GLY 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2h3k n THR 108 N -3.88 0.00 -0.43 2.61 -1.04 -0.94 -2.67 114.28 107.93 2h3k n THR 108 Ca -0.17 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2h3k n THR 108 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 2h3k n THR 108 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2h3k n GLN 109 N 1.17 0.42 -3.64 -2.82 7.27 -1.26 -2.61 117.38 115.90 2h3k n GLN 109 Ca 0.16 -0.63 -0.05 0.00 0.07 0.00 0.00 57.00 56.55 2h3k n GLN 109 Cb 0.06 -0.79 -0.06 0.00 2.41 0.00 0.00 30.24 31.86 2h3k n GLN 109 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2h3k s GLU 110 N -0.25 0.66 0.13 3.69 -1.05 -1.26 0.16 118.70 120.79 2h3k s GLU 110 Ca 0.00 1.26 -0.01 0.00 -0.15 0.00 0.00 54.97 56.07 2h3k s GLU 110 Cb 0.00 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 2h3k s GLU 110 CO 0.00 -0.16 0.06 -0.48 0.95 0.00 0.00 175.26 175.63 2h3k s LEU 111 N 1.94 1.77 -0.27 1.83 2.34 -0.67 -4.79 118.68 120.84 2h3k s LEU 111 Ca -0.09 -1.21 -0.08 0.00 0.06 0.00 0.00 54.13 52.81 2h3k s LEU 111 Cb -0.07 0.29 -0.02 0.00 -0.56 0.00 0.00 46.19 45.83 2h3k s LEU 111 CO -0.20 -0.73 0.09 -0.54 -1.06 0.00 0.00 176.35 173.91 2h3k s LYS 112 N -4.05 3.47 0.05 1.48 3.01 -0.45 -0.67 119.74 122.58 2h3k s LYS 112 Ca 0.24 -0.61 -0.18 0.00 -1.01 0.00 0.00 55.97 54.42 2h3k s LYS 112 Cb 0.07 -3.37 -0.06 0.00 -1.01 0.00 0.00 37.83 33.46 2h3k s LYS 112 CO 0.02 -0.29 0.51 0.42 0.51 0.00 0.00 175.35 176.53 2h3k s ILE 113 N 1.59 4.84 -0.22 2.17 1.01 0.15 -0.08 121.20 130.65 2h3k s ILE 113 Ca 0.05 1.09 0.02 0.00 0.00 0.00 0.00 60.65 61.81 2h3k s ILE 113 Cb -0.16 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.52 2h3k s ILE 113 CO 0.04 0.56 -0.15 -0.69 0.00 0.00 0.00 174.94 174.70 2h3k s VAL 114 N -1.10 2.13 0.14 2.92 1.01 -1.11 -2.66 120.40 121.73 2h3k s VAL 114 Ca 0.27 -1.31 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 2h3k s VAL 114 Cb -0.19 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.17 2h3k s VAL 114 CO 0.17 0.23 0.99 -0.94 0.00 0.00 0.00 175.10 175.55 2h3k s SER 115 N 1.19 -0.16 -0.14 3.32 1.04 -1.23 -0.95 113.70 116.76 2h3k s SER 115 Ca -0.03 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2h3k s SER 115 Cb -0.17 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.49 2h3k s SER 115 CO -0.09 -0.86 0.28 -0.94 0.98 0.00 0.00 173.24 172.61 2h3k s SER 116 N -2.95 0.36 0.50 7.02 1.04 -1.26 -0.71 113.70 117.70 2h3k s SER 116 Ca 0.12 0.56 0.04 0.00 0.48 0.00 0.00 55.95 57.15 2h3k s SER 116 Cb -0.01 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 2h3k s SER 116 CO 0.02 -0.25 0.12 0.42 0.98 0.00 0.00 173.24 174.53 2h3k s THR 117 N 2.44 1.51 -0.30 2.02 -4.23 0.23 -3.75 115.64 113.56 2h3k s THR 117 Ca 0.02 -1.85 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 2h3k s THR 117 Cb -0.12 -2.35 0.19 0.00 1.34 0.00 0.00 72.50 71.55 2h3k s THR 117 CO -0.09 0.00 0.83 -1.58 -0.54 0.00 0.00 174.62 173.24 2h3k s GLN 118 N -3.96 0.35 -0.35 3.99 0.74 -1.23 -0.09 119.66 119.12 2h3k s GLN 118 Ca 0.20 0.46 -0.00 0.00 0.05 0.00 0.00 55.36 56.07 2h3k s GLN 118 Cb 0.02 0.24 0.28 0.00 1.10 0.00 0.00 33.01 34.65 2h3k s GLN 118 CO 0.11 -0.55 1.91 -0.89 -0.55 0.00 0.00 175.29 175.32 2h3k n ILE 119 N 5.34 2.77 -2.13 -2.34 -0.00 -1.26 -4.81 119.36 116.94 2h3k n ILE 119 Ca 0.02 -1.69 -0.10 0.00 -0.00 0.00 0.00 62.75 60.99 2h3k n ILE 119 Cb 0.54 -1.17 -0.01 0.00 -0.00 0.00 0.00 39.64 39.00 2h3k n ILE 119 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2h3k n ASP 120 N 0.01 -3.07 0.06 4.38 2.03 -1.26 -4.80 116.55 113.89 2h3k n ASP 120 Ca 0.35 0.25 -0.20 0.00 0.52 0.00 0.00 54.79 55.71 2h3k n ASP 120 Cb 0.72 -2.73 -0.14 0.00 -0.72 0.00 0.00 41.12 38.25 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2h3k h ASP 121 N 0.00 0.57 0.00 1.67 1.82 -2.01 -3.48 116.42 114.98 2h3k h ASP 121 Ca -0.22 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.52 2h3k h ASP 121 Cb 1.02 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2h3k h ASP 121 CO 0.28 1.42 0.00 0.61 -1.61 0.00 0.00 179.24 179.93 2h3k n GLY 122 N 1.52 -2.01 0.14 -0.78 0.00 -1.26 -5.15 105.19 97.65 2h3k n GLY 122 Ca -0.13 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 2h3k n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h3k n GLU 123 N -1.96 1.32 -3.39 1.61 1.02 -1.26 -5.07 120.64 112.90 2h3k n GLU 123 Ca 0.00 -0.12 -0.44 0.00 -0.02 0.00 0.00 57.16 56.58 2h3k n GLU 123 Cb 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 31.44 31.36 2h3k n GLU 123 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2h3k s GLU 124 N -2.09 2.86 -0.42 3.49 2.12 -1.26 -4.75 118.70 118.66 2h3k s GLU 124 Ca 0.01 -1.64 -0.34 0.00 0.36 0.00 0.00 54.97 53.36 2h3k s GLU 124 Cb -0.00 -4.16 -0.12 0.00 0.26 0.00 0.00 34.13 30.11 2h3k s GLU 124 CO 0.01 -1.22 2.25 2.41 -0.54 0.00 0.00 175.26 178.17 2h3k n THR 125 N 5.15 0.14 -3.95 -1.70 -1.04 0.87 -4.84 114.28 108.91 2h3k n THR 125 Ca -0.12 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 2h3k n THR 125 Cb 0.41 -1.63 -0.14 0.00 -1.82 0.00 0.00 70.33 67.15 2h3k n THR 125 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2h3k s ASN 126 N 7.86 4.86 -1.44 8.00 3.84 -1.26 0.77 114.94 137.57 2h3k s ASN 126 Ca 1.11 -1.88 -0.08 0.00 0.21 0.00 0.00 52.86 52.22 2h3k s ASN 126 Cb -0.84 -1.68 0.04 0.00 -0.55 0.00 0.00 41.25 38.22 2h3k s ASN 126 CO 0.47 -0.37 2.54 -1.22 -2.79 0.00 0.00 177.10 175.73 2h3k n TYR 127 N 4.42 2.62 -0.26 0.43 4.01 0.11 -4.71 117.16 123.77 2h3k n TYR 127 Ca -0.03 -2.93 0.33 0.00 -0.16 0.00 0.00 57.90 55.11 2h3k n TYR 127 Cb 0.42 -2.13 0.74 0.00 -0.31 0.00 0.00 39.34 38.06 2h3k n TYR 127 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2h3k h ASP 128 N 4.94 0.00 -1.94 7.72 2.03 -1.88 -3.25 116.42 124.02 2h3k h ASP 128 Ca 0.73 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.85 2h3k h ASP 128 Cb 0.34 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 38.54 2h3k h ASP 128 CO 1.63 0.00 -0.51 -0.47 -1.03 0.00 0.00 179.24 178.86 2h3k s TYR 129 N -4.91 -0.78 -0.28 4.15 5.04 -1.26 -4.84 117.35 114.47 2h3k s TYR 129 Ca -0.05 0.65 0.03 0.00 -2.44 0.00 0.00 57.07 55.26 2h3k s TYR 129 Cb 0.22 -0.07 0.07 0.00 0.35 0.00 0.00 41.96 42.53 2h3k s TYR 129 CO 0.77 -0.76 -0.07 0.99 -1.34 0.00 0.00 175.55 175.14 2h3k s THR 130 N 2.51 2.21 -0.90 4.34 2.01 -1.09 -4.47 115.64 120.25 2h3k s THR 130 Ca 0.12 -1.80 -0.22 0.00 0.31 0.00 0.00 61.69 60.09 2h3k s THR 130 Cb -0.15 -2.38 0.07 0.00 0.01 0.00 0.00 72.50 70.05 2h3k s THR 130 CO -0.18 -0.16 1.27 -0.75 -0.69 0.00 0.00 174.62 174.10 2h3k s LYS 131 N 1.06 3.47 -0.58 4.92 2.20 -0.84 -0.67 119.74 129.28 2h3k s LYS 131 Ca -0.04 -1.12 -0.23 0.00 -0.36 0.00 0.00 55.97 54.22 2h3k s LYS 131 Cb -0.20 -4.90 0.05 0.00 -1.51 0.00 0.00 37.83 31.27 2h3k s LYS 131 CO -0.06 -2.03 0.93 -1.17 -0.36 0.00 0.00 175.35 172.67 2h3k s LEU 132 N 4.35 4.23 -0.44 5.43 0.20 0.16 -2.53 118.68 130.07 2h3k s LEU 132 Ca 0.37 -0.58 -0.19 0.00 0.69 0.00 0.00 54.13 54.42 2h3k s LEU 132 Cb -0.05 -2.67 0.03 0.00 -0.43 0.00 0.00 46.19 43.07 2h3k s LEU 132 CO -0.03 -1.28 0.57 -0.69 -0.29 0.00 0.00 176.35 174.63 2h3k s VAL 133 N 3.93 4.92 1.01 1.68 1.01 -0.22 -1.66 120.40 131.07 2h3k s VAL 133 Ca 0.27 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 2h3k s VAL 133 Cb -0.14 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2h3k s VAL 133 CO 0.16 -0.56 0.25 0.49 0.00 0.00 0.00 175.10 175.44 2h3k n PHE 134 N 6.02 -1.49 0.12 5.22 3.72 0.42 0.28 117.46 131.74 2h3k n PHE 134 Ca -0.04 0.20 -0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2h3k n PHE 134 Cb 0.47 -1.70 -0.02 0.00 -0.94 0.00 0.00 39.48 37.29 2h3k n PHE 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3k h ALA 135 N -1.73 0.58 -2.63 4.37 0.00 -0.60 -3.42 119.26 115.83 2h3k h ALA 135 Ca -0.47 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 53.72 2h3k h ALA 135 Cb 1.31 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 2h3k h ALA 135 CO 0.35 0.82 -0.38 0.15 0.00 0.00 0.00 179.25 180.19 2h3k s LYS 136 N -2.89 1.17 0.12 0.00 1.02 -1.26 -4.99 119.74 112.91 2h3k s LYS 136 Ca 0.03 -1.27 -0.31 0.00 0.02 0.00 0.00 55.97 54.44 2h3k s LYS 136 Cb 0.08 0.36 -0.07 0.00 -0.52 0.00 0.00 37.83 37.68 2h3k s LYS 136 CO 0.77 -0.42 1.27 -1.25 -0.92 0.00 0.00 175.35 174.79 2h3k s PRO 137 N -4.01 4.41 -1.01 -1.68 0.04 -1.26 -4.69 135.00 126.79 2h3k s PRO 137 Ca 0.21 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 2h3k s PRO 137 Cb 0.04 -3.28 0.18 0.00 0.04 0.00 0.00 34.50 31.48 2h3k s PRO 137 CO 0.03 -0.28 1.13 0.42 0.04 0.00 0.00 177.00 178.34 2h3k s ILE 138 N 0.75 5.19 -0.09 0.56 -1.09 -1.07 -4.94 121.20 120.50 2h3k s ILE 138 Ca 0.59 -2.32 -0.17 0.00 -2.23 0.00 0.00 60.65 56.52 2h3k s ILE 138 Cb -0.33 -4.72 -0.05 0.00 -1.58 0.00 0.00 42.46 35.78 2h3k s ILE 138 CO 0.32 -1.39 0.43 -0.31 -1.23 0.00 0.00 174.94 172.76 2h3k s TYR 139 N 1.27 3.56 0.00 3.97 2.02 -1.26 -3.56 117.35 123.35 2h3k s TYR 139 Ca 0.32 0.87 0.00 0.00 -0.37 0.00 0.00 57.07 57.89 2h3k s TYR 139 Cb -0.06 -2.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 2h3k s TYR 139 CO -0.07 0.30 0.00 0.27 -1.57 0.00 0.00 175.55 174.48 2h3k n ASN 140 N 3.18 -1.39 -4.00 2.29 6.94 -1.26 -4.85 115.26 116.16 2h3k n ASN 140 Ca -0.10 -0.07 -0.32 0.00 -0.02 0.00 0.00 54.58 54.07 2h3k n ASN 140 Cb 0.52 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.82 2h3k n ASN 140 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2h3k s ASP 141 N -1.90 4.87 0.37 0.53 1.01 -1.26 -4.89 116.67 115.39 2h3k s ASP 141 Ca 0.00 -3.19 0.18 0.00 0.71 0.00 0.00 52.55 50.25 2h3k s ASP 141 Cb 0.00 -1.74 0.64 0.00 1.01 0.00 0.00 42.92 42.83 2h3k s ASP 141 CO 0.00 -0.24 1.72 1.55 0.21 0.00 0.00 175.17 178.40 2h3k h PRO 142 N 6.41 0.00 0.00 8.23 0.13 -1.92 -3.39 132.00 141.46 2h3k h PRO 142 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2h3k h PRO 142 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2h3k h PRO 142 CO 0.72 0.39 -0.53 0.43 -0.23 0.00 0.00 178.00 178.78 2h3k n SER 143 N -3.53 2.18 0.00 1.44 7.64 -1.26 -5.22 113.62 114.87 2h3k n SER 143 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h3k n SER 143 Cb 0.52 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92