#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 -0.28 0.00 0.00 1.47 -1.26 -4.99 116.67 111.60 2h3k s ASP 2 Ca 0.00 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 53.65 2h3k s ASP 2 Cb 0.00 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 43.02 2h3k s ASP 2 CO 0.00 -0.72 0.00 -1.84 0.68 0.00 0.00 175.17 173.29 2h3k n GLU 3 N 0.28 0.00 -3.30 2.11 0.28 -1.26 -5.13 120.64 113.62 2h3k n GLU 3 Ca -0.18 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.44 2h3k n GLU 3 Cb 0.61 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.42 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2h3k s SER 4 N 1.03 6.94 0.60 -1.84 0.01 -1.26 -4.78 113.70 114.40 2h3k s SER 4 Ca 0.00 1.11 0.34 0.00 1.31 0.00 0.00 55.95 58.72 2h3k s SER 4 Cb 0.00 -2.33 1.94 0.00 0.21 0.00 0.00 66.02 65.84 2h3k s SER 4 CO 0.00 0.19 2.25 0.25 0.41 0.00 0.00 173.24 176.35 2h3k h LEU 5 N 5.20 0.00 -0.14 2.44 5.85 -1.58 -0.48 115.31 126.60 2h3k h LEU 5 Ca -0.47 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.07 2h3k h LEU 5 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2h3k h LEU 5 CO 0.67 0.02 -0.84 0.07 -0.34 0.00 0.00 178.44 178.02 2h3k h LYS 6 N 0.00 0.00 0.00 1.25 2.10 -1.67 -2.63 116.57 115.63 2h3k h LYS 6 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2h3k h LYS 6 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2h3k h LYS 6 CO 0.00 0.84 -1.11 -3.47 -2.00 0.00 0.00 179.45 173.71 2h3k n ASP 7 N -3.39 0.67 0.03 7.07 -0.08 -0.53 -4.17 116.55 116.14 2h3k n ASP 7 Ca 0.00 0.16 -0.16 0.00 -1.51 0.00 0.00 54.79 53.28 2h3k n ASP 7 Cb 0.84 0.71 -0.14 0.00 2.34 0.00 0.00 41.12 44.87 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2h3k h ALA 8 N 2.16 0.44 -0.88 -1.67 0.00 -1.18 -3.32 119.26 114.80 2h3k h ALA 8 Ca 0.00 -1.27 0.26 0.00 0.00 0.00 0.00 54.91 53.89 2h3k h ALA 8 Cb 0.92 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2h3k h ALA 8 CO 0.00 1.30 0.79 -0.84 0.00 0.00 0.00 179.25 180.49 2h3k h ILE 9 N 0.05 0.30 -3.46 0.00 3.07 -1.63 -3.36 117.51 112.49 2h3k h ILE 9 Ca -0.30 0.00 -0.56 0.00 1.55 0.00 0.00 64.86 65.54 2h3k h ILE 9 Cb 2.02 0.41 -0.06 0.00 -0.27 0.00 0.00 36.82 38.92 2h3k h ILE 9 CO 0.12 0.00 1.00 -0.54 -1.05 0.00 0.00 178.15 177.68 2h3k s LYS 10 N -4.72 3.68 -0.28 0.16 -0.14 -1.25 -4.82 119.74 112.37 2h3k s LYS 10 Ca -0.04 0.81 -0.26 0.00 -1.36 0.00 0.00 55.97 55.12 2h3k s LYS 10 Cb 0.18 -3.96 0.16 0.00 -1.68 0.00 0.00 37.83 32.54 2h3k s LYS 10 CO 0.64 -1.43 1.28 0.34 -0.76 0.00 0.00 175.35 175.41 2h3k s ASP 11 N 3.15 -0.20 0.48 2.83 2.15 -1.26 -5.02 116.67 118.81 2h3k s ASP 11 Ca 0.55 0.36 0.28 0.00 0.43 0.00 0.00 52.55 54.16 2h3k s ASP 11 Cb -0.11 0.36 0.84 0.00 -0.30 0.00 0.00 42.92 43.70 2h3k s ASP 11 CO 0.31 -0.08 1.79 1.55 -0.17 0.00 0.00 175.17 178.57 2h3k h PRO 12 N 3.33 0.00 0.13 4.34 0.13 -1.96 -2.59 132.00 135.39 2h3k h PRO 12 Ca -0.25 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.59 2h3k h PRO 12 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2h3k h PRO 12 CO 0.17 0.04 -1.50 0.00 -0.23 0.00 0.00 178.00 176.49 2h3k h ALA 13 N 1.96 0.18 0.00 -0.56 0.00 -1.98 -3.32 119.26 115.53 2h3k h ALA 13 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2h3k h ALA 13 Cb 0.78 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2h3k h ALA 13 CO 0.01 0.88 0.00 1.28 0.00 0.00 0.00 179.25 181.41 2h3k n LEU 14 N -3.84 0.24 -4.55 0.00 4.77 -1.23 -4.37 117.00 108.01 2h3k n LEU 14 Ca -0.25 0.53 -0.30 0.00 -0.03 0.00 0.00 56.01 55.96 2h3k n LEU 14 Cb 0.94 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2h3k n LEU 14 CO 0.43 -0.15 1.54 -1.61 -1.33 0.00 0.00 177.39 176.27 2h3k s GLU 15 N -3.05 2.33 -0.53 3.23 2.02 -0.98 0.50 118.70 122.23 2h3k s GLU 15 Ca 0.11 0.46 -0.16 0.00 0.02 0.00 0.00 54.97 55.40 2h3k s GLU 15 Cb 0.14 -4.70 0.02 0.00 0.10 0.00 0.00 34.13 29.70 2h3k s GLU 15 CO 0.47 -3.32 0.63 0.09 0.02 0.00 0.00 175.26 173.15 2h3k n ASN 16 N 14.71 -7.27 -4.47 -0.19 3.02 -1.13 -4.94 115.26 114.99 2h3k n ASN 16 Ca 0.34 0.17 -0.24 0.00 -0.03 0.00 0.00 54.58 54.82 2h3k n ASN 16 Cb 0.50 -4.45 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2h3k s LYS 17 N -2.84 1.68 -1.38 3.52 2.20 -1.25 -5.03 119.74 116.65 2h3k s LYS 17 Ca 0.20 -1.78 -0.13 0.00 -0.36 0.00 0.00 55.97 53.90 2h3k s LYS 17 Cb -0.04 -1.74 -0.03 0.00 -1.51 0.00 0.00 37.83 34.51 2h3k s LYS 17 CO 0.79 0.31 2.40 -1.91 -0.36 0.00 0.00 175.35 176.58 2h3k n GLU 18 N -0.63 2.88 0.28 4.03 2.13 -1.26 -4.67 120.64 123.41 2h3k n GLU 18 Ca -0.05 -2.29 0.18 0.00 0.66 0.00 0.00 57.16 55.66 2h3k n GLU 18 Cb 0.60 -3.03 0.94 0.00 0.27 0.00 0.00 31.44 30.22 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 5.96 0.00 -2.44 4.31 2.07 -1.96 -3.37 115.15 119.72 2h3k h HIS 19 Ca 0.64 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.63 2h3k h HIS 19 Cb 0.50 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.41 2h3k h HIS 19 CO 1.60 0.00 1.13 0.34 -3.07 0.00 0.00 177.93 177.93 2h3k s ASP 20 N -5.13 5.97 -0.32 3.10 2.15 -1.26 -4.93 116.67 116.25 2h3k s ASP 20 Ca -0.04 -0.07 -0.02 0.00 0.43 0.00 0.00 52.55 52.86 2h3k s ASP 20 Cb 0.12 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.31 2h3k s ASP 20 CO 0.42 -1.90 0.15 -0.63 -0.17 0.00 0.00 175.17 173.03 2h3k s ILE 21 N 6.50 0.41 -0.03 4.11 1.01 -1.26 -5.08 121.20 126.87 2h3k s ILE 21 Ca 0.47 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2h3k s ILE 21 Cb -0.10 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2h3k s ILE 21 CO 0.19 -0.79 0.00 0.61 0.00 0.00 0.00 174.94 174.96 2h3k n GLY 22 N 4.70 0.43 3.70 6.18 0.00 -1.26 -5.05 105.19 113.88 2h3k n GLY 22 Ca 0.00 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.01 -0.95 -0.22 1.61 0.04 -1.26 -5.09 135.00 129.11 2h3k s PRO 23 Ca 0.00 -0.32 -0.30 0.00 0.04 0.00 0.00 61.00 60.42 2h3k s PRO 23 Cb 0.00 -1.65 0.16 0.00 0.04 0.00 0.00 34.50 33.05 2h3k s PRO 23 CO 0.00 -3.49 1.20 0.50 0.04 0.00 0.00 177.00 175.25 2h3k s ARG 24 N -5.67 0.30 0.00 4.56 3.00 -1.26 -4.62 118.95 115.26 2h3k s ARG 24 Ca 0.74 0.04 0.00 0.00 -1.00 0.00 0.00 55.73 55.51 2h3k s ARG 24 Cb -0.06 0.14 0.00 0.00 0.00 0.00 0.00 34.95 35.04 2h3k s ARG 24 CO 0.55 -0.10 0.00 0.39 0.00 0.00 0.00 175.30 176.14 2h3k n GLU 25 N 0.51 0.48 -4.16 5.12 -0.58 0.83 -4.90 120.64 117.94 2h3k n GLU 25 Ca -0.04 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.52 2h3k n GLU 25 Cb 0.58 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.30 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 -1.49 0.58 -0.07 3.49 -2.07 -1.26 -2.73 119.66 116.11 2h3k s GLN 26 Ca 0.00 -0.14 -0.12 0.00 -1.82 0.00 0.00 55.36 53.28 2h3k s GLN 26 Cb 0.00 -0.60 0.03 0.00 -1.09 0.00 0.00 33.01 31.35 2h3k s GLN 26 CO 0.00 0.02 0.30 0.08 -1.32 0.00 0.00 175.29 174.37 2h3k s VAL 27 N 0.38 0.03 0.42 3.63 1.01 0.43 -4.87 120.40 121.42 2h3k s VAL 27 Ca -0.04 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2h3k s VAL 27 Cb -0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2h3k s VAL 27 CO -0.00 -0.12 0.62 0.21 0.00 0.00 0.00 175.10 175.81 2h3k s ASN 28 N -0.46 5.89 -0.01 3.32 2.47 -1.26 0.45 114.94 125.34 2h3k s ASN 28 Ca -0.06 0.20 0.04 0.00 0.42 0.00 0.00 52.86 53.46 2h3k s ASN 28 Cb -0.04 -1.51 -0.01 0.00 -1.45 0.00 0.00 41.25 38.25 2h3k s ASN 28 CO 0.02 -0.61 -0.12 0.72 -3.72 0.00 0.00 177.10 173.38 2h3k s PHE 29 N -2.46 1.12 -0.36 0.43 -0.12 -1.26 0.59 117.98 115.92 2h3k s PHE 29 Ca 0.47 -0.22 -0.14 0.00 -0.05 0.00 0.00 56.93 56.99 2h3k s PHE 29 Cb -0.10 -0.73 -0.01 0.00 -0.63 0.00 0.00 43.02 41.56 2h3k s PHE 29 CO 0.36 -0.03 0.28 -0.65 -0.05 0.00 0.00 175.22 175.14 2h3k s GLN 30 N -0.24 3.38 -0.31 1.99 1.11 0.19 -4.92 119.66 120.86 2h3k s GLN 30 Ca 0.04 -0.69 -0.23 0.00 0.01 0.00 0.00 55.36 54.50 2h3k s GLN 30 Cb -0.05 -3.85 -0.00 0.00 -1.01 0.00 0.00 33.01 28.10 2h3k s GLN 30 CO -0.00 -0.54 0.75 -0.51 0.01 0.00 0.00 175.29 174.99 2h3k s LEU 31 N 1.79 4.11 -0.25 2.90 1.43 -1.26 -1.72 118.68 125.67 2h3k s LEU 31 Ca 0.07 0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2h3k s LEU 31 Cb -0.18 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.13 2h3k s LEU 31 CO 0.11 -0.59 0.10 -0.76 0.23 0.00 0.00 176.35 175.44 2h3k s LEU 32 N 2.88 0.85 0.00 1.79 1.43 -0.91 -3.91 118.68 120.81 2h3k s LEU 32 Ca 0.30 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 2h3k s LEU 32 Cb -0.14 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.64 2h3k s LEU 32 CO 0.13 -0.40 0.00 -0.67 0.23 0.00 0.00 176.35 175.64 2h3k n ASP 33 N 5.17 0.00 -2.09 2.29 2.03 -1.22 -2.35 116.55 120.37 2h3k n ASP 33 Ca -0.06 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.03 2h3k n ASP 33 Cb 0.44 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.87 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2h3k n LYS 34 N 0.00 2.07 -0.74 -0.67 0.00 -1.26 -3.95 118.16 113.61 2h3k n LYS 34 Ca 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 58.31 56.26 2h3k n LYS 34 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 35.03 33.17 2h3k n LYS 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2h3k n ASN 35 N 0.23 -0.47 -2.96 3.14 3.02 -1.26 -4.98 115.26 111.98 2h3k n ASN 35 Ca 0.39 -1.49 -0.17 0.00 -0.03 0.00 0.00 54.58 53.28 2h3k n ASN 35 Cb 0.58 0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.88 2h3k n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2h3k n ASN 36 N 0.00 -3.42 -4.10 6.41 5.15 -1.25 -4.92 115.26 113.12 2h3k n ASN 36 Ca -0.13 -0.10 -0.30 0.00 -0.60 0.00 0.00 54.58 53.45 2h3k n ASN 36 Cb 0.60 -2.89 -0.17 0.00 -0.53 0.00 0.00 39.78 36.80 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2h3k s GLU 37 N -5.57 2.50 -0.34 1.20 -6.30 -1.26 -4.98 118.70 103.95 2h3k s GLU 37 Ca 0.22 -0.67 -0.29 0.00 -2.50 0.00 0.00 54.97 51.73 2h3k s GLU 37 Cb -0.12 -2.06 0.02 0.00 0.00 0.00 0.00 34.13 31.97 2h3k s GLU 37 CO 0.27 -0.02 1.15 0.99 0.02 0.00 0.00 175.26 177.67 2h3k s THR 38 N 0.84 4.36 -0.27 -1.70 2.01 -1.25 -3.39 115.64 116.24 2h3k s THR 38 Ca -0.09 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 2h3k s THR 38 Cb -0.15 -4.38 -0.07 0.00 0.01 0.00 0.00 72.50 67.91 2h3k s THR 38 CO -0.00 -0.57 2.24 1.67 -0.69 0.00 0.00 174.62 177.27 2h3k n GLN 39 N 7.15 1.69 -2.25 4.92 7.27 -1.26 -4.83 117.38 130.07 2h3k n GLN 39 Ca 0.13 0.44 -0.28 0.00 0.07 0.00 0.00 57.00 57.35 2h3k n GLN 39 Cb 0.47 -3.09 0.01 0.00 2.41 0.00 0.00 30.24 30.05 2h3k n GLN 39 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2h3k n TYR 40 N 11.68 3.19 -0.86 3.69 9.36 -1.26 -5.06 117.16 137.90 2h3k n TYR 40 Ca 0.33 -2.80 -0.26 0.00 3.32 0.00 0.00 57.90 58.49 2h3k n TYR 40 Cb 0.41 -0.33 0.22 0.00 -0.63 0.00 0.00 39.34 39.01 2h3k n TYR 40 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2h3k n TYR 41 N -0.57 -3.75 0.10 2.98 4.02 -1.26 -4.97 117.16 113.71 2h3k n TYR 41 Ca 0.43 -0.84 -0.11 0.00 -0.01 0.00 0.00 57.90 57.37 2h3k n TYR 41 Cb 0.70 -1.00 -0.07 0.00 -0.02 0.00 0.00 39.34 38.94 2h3k n TYR 41 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2h3k h HIS 42 N -2.70 -0.28 -2.94 -0.72 3.86 -2.05 -3.42 115.15 106.90 2h3k h HIS 42 Ca -0.35 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.29 2h3k h HIS 42 Cb 1.10 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 2h3k h HIS 42 CO 0.00 0.10 0.83 -0.06 0.86 0.00 0.00 177.93 179.66 2h3k s PHE 43 N -3.72 2.89 -0.10 2.45 0.40 -1.26 -5.01 117.98 113.62 2h3k s PHE 43 Ca -0.12 0.96 0.02 0.00 -0.60 0.00 0.00 56.93 57.18 2h3k s PHE 43 Cb 0.01 -3.55 0.01 0.00 0.51 0.00 0.00 43.02 40.00 2h3k s PHE 43 CO 0.47 -1.95 -0.15 0.12 0.70 0.00 0.00 175.22 174.40 2h3k s PHE 44 N 2.84 1.93 0.00 0.36 2.19 -1.26 -5.07 117.98 118.97 2h3k s PHE 44 Ca 0.59 -0.88 0.00 0.00 0.33 0.00 0.00 56.93 56.97 2h3k s PHE 44 Cb -0.26 -1.39 0.00 0.00 -1.31 0.00 0.00 43.02 40.06 2h3k s PHE 44 CO 0.21 -0.45 0.26 0.43 1.83 0.00 0.00 175.22 177.51 2h3k n SER 45 N 4.12 0.00 -4.51 6.13 7.64 -1.26 -4.63 113.62 121.12 2h3k n SER 45 Ca -0.19 0.30 -0.28 0.00 1.01 0.00 0.00 58.87 59.70 2h3k n SER 45 Cb 0.51 -0.07 0.25 0.00 -1.01 0.00 0.00 64.21 63.88 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2h3k s ILE 46 N -0.68 2.02 0.00 0.44 1.09 -1.26 -1.34 121.20 121.48 2h3k s ILE 46 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 2h3k s ILE 46 Cb 0.00 -2.06 0.00 0.00 -1.06 0.00 0.00 42.46 39.34 2h3k s ILE 46 CO 0.00 -0.01 0.00 1.17 -0.10 0.00 0.00 174.94 176.00 2h3k n LYS 47 N -4.87 0.00 -2.26 2.79 4.81 -1.18 -4.81 118.16 112.64 2h3k n LYS 47 Ca 0.04 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.20 2h3k n LYS 47 Cb 0.54 -0.02 0.04 0.00 0.02 0.00 0.00 35.03 35.61 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2h3k s ASP 48 N -2.97 5.45 0.47 3.14 1.11 -1.26 -5.04 116.67 117.57 2h3k s ASP 48 Ca 0.00 0.77 -0.21 0.00 0.18 0.00 0.00 52.55 53.28 2h3k s ASP 48 Cb 0.00 -1.67 -0.08 0.00 1.07 0.00 0.00 42.92 42.24 2h3k s ASP 48 CO 0.00 -1.20 1.08 -2.16 1.18 0.00 0.00 175.17 174.08 2h3k s PRO 49 N -5.11 3.78 0.11 8.23 0.04 -1.26 -4.68 135.00 136.12 2h3k s PRO 49 Ca 0.56 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 2h3k s PRO 49 Cb -0.11 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 2h3k s PRO 49 CO 0.46 -0.48 1.55 0.00 0.04 0.00 0.00 177.00 178.58 2h3k s ALA 50 N -1.78 3.70 0.49 8.56 0.00 0.17 -4.70 121.76 128.20 2h3k s ALA 50 Ca 0.66 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.89 2h3k s ALA 50 Cb -0.22 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.30 2h3k s ALA 50 CO 0.26 -0.86 0.68 -0.51 0.00 0.00 0.00 175.76 175.33 2h3k s ASP 51 N 1.61 5.43 -0.05 0.00 1.11 -0.72 0.16 116.67 124.21 2h3k s ASP 51 Ca 0.70 -0.25 0.03 0.00 0.18 0.00 0.00 52.55 53.21 2h3k s ASP 51 Cb -0.40 -0.71 0.01 0.00 1.07 0.00 0.00 42.92 42.89 2h3k s ASP 51 CO 0.31 -0.98 -0.13 -0.69 1.18 0.00 0.00 175.17 174.86 2h3k s VAL 52 N -2.57 1.13 -0.80 -1.27 1.01 -1.10 -0.77 120.40 116.02 2h3k s VAL 52 Ca 0.57 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2h3k s VAL 52 Cb -0.10 -1.02 0.20 0.00 0.00 0.00 0.00 36.38 35.46 2h3k s VAL 52 CO 0.36 0.35 0.68 -0.31 0.00 0.00 0.00 175.10 176.18 2h3k s TYR 53 N 0.48 3.72 -0.47 5.22 1.51 0.71 -0.12 117.35 128.40 2h3k s TYR 53 Ca -0.11 -2.78 -0.28 0.00 -1.01 0.00 0.00 57.07 52.89 2h3k s TYR 53 Cb -0.14 -3.33 -0.02 0.00 -0.11 0.00 0.00 41.96 38.37 2h3k s TYR 53 CO 0.03 -0.81 1.78 0.71 -1.11 0.00 0.00 175.55 176.14 2h3k s TYR 54 N -0.72 1.82 0.00 2.71 2.02 -1.26 -1.12 117.35 120.80 2h3k s TYR 54 Ca 0.23 0.70 0.00 0.00 -0.37 0.00 0.00 57.07 57.63 2h3k s TYR 54 Cb -0.12 -4.13 0.00 0.00 -0.40 0.00 0.00 41.96 37.30 2h3k s TYR 54 CO -0.08 -2.53 0.00 0.25 -1.57 0.00 0.00 175.55 171.61 2h3k n THR 55 N 7.28 0.00 0.18 -0.71 -2.24 -1.22 -4.66 114.28 112.91 2h3k n THR 55 Ca 0.21 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 2h3k n THR 55 Cb 0.49 -1.11 0.12 0.00 -2.10 0.00 0.00 70.33 67.73 2h3k n THR 55 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 2.10 -1.93 -3.41 116.57 112.55 2h3k h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2h3k h LYS 56 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2h3k h LYS 56 CO 0.00 0.01 0.00 1.63 -2.00 0.00 0.00 179.45 179.09 2h3k n LYS 57 N -2.98 0.00 -4.10 0.07 4.76 -1.26 -4.89 118.16 109.76 2h3k n LYS 57 Ca 0.03 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 2h3k n LYS 57 Cb 0.54 -0.36 -0.11 0.00 -1.84 0.00 0.00 35.03 33.27 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 -0.82 0.63 0.84 1.97 2.47 -1.26 -4.83 119.74 118.74 2h3k s LYS 58 Ca 0.00 -1.03 -0.11 0.00 -1.56 0.00 0.00 55.97 53.27 2h3k s LYS 58 Cb 0.00 -0.14 0.10 0.00 -1.46 0.00 0.00 37.83 36.33 2h3k s LYS 58 CO 0.00 -0.01 1.09 0.00 0.16 0.00 0.00 175.35 176.59 2h3k s ALA 59 N -2.63 1.84 -0.25 3.13 0.00 -1.26 -3.44 121.76 119.14 2h3k s ALA 59 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 2h3k s ALA 59 Cb -0.01 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.93 2h3k s ALA 59 CO -0.03 -2.14 0.08 -1.21 0.00 0.00 0.00 175.76 172.45 2h3k s GLU 60 N -4.88 0.56 0.25 0.00 8.01 -0.27 -3.41 118.70 118.96 2h3k s GLU 60 Ca 0.63 -0.66 -0.30 0.00 0.01 0.00 0.00 54.97 54.66 2h3k s GLU 60 Cb -0.18 -1.88 -0.09 0.00 -4.31 0.00 0.00 34.13 27.67 2h3k s GLU 60 CO 0.57 -0.83 1.21 0.08 0.01 0.00 0.00 175.26 176.30 2h3k s VAL 61 N 1.83 3.28 0.07 2.63 1.01 -0.87 -0.21 120.40 128.14 2h3k s VAL 61 Ca 0.05 1.17 0.10 0.00 0.00 0.00 0.00 61.98 63.30 2h3k s VAL 61 Cb -0.17 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2h3k s VAL 61 CO -0.20 0.23 -0.26 -0.70 0.00 0.00 0.00 175.10 174.18 2h3k s GLU 62 N -0.93 1.71 0.05 2.72 -6.30 0.05 -2.42 118.70 113.56 2h3k s GLU 62 Ca 0.50 -1.17 0.04 0.00 -2.50 0.00 0.00 54.97 51.85 2h3k s GLU 62 Cb -0.35 -1.97 -0.02 0.00 0.00 0.00 0.00 34.13 31.79 2h3k s GLU 62 CO 0.42 0.50 -0.13 -0.51 0.02 0.00 0.00 175.26 175.56 2h3k s LEU 63 N -1.45 2.20 -0.36 2.70 1.43 -0.61 -1.75 118.68 120.84 2h3k s LEU 63 Ca 0.12 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 2h3k s LEU 63 Cb -0.10 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.63 2h3k s LEU 63 CO 0.03 -0.02 0.16 -0.62 0.23 0.00 0.00 176.35 176.13 2h3k s ASP 64 N -1.29 5.55 0.15 2.29 2.15 -1.26 -3.02 116.67 121.24 2h3k s ASP 64 Ca -0.01 -1.02 -0.11 0.00 0.43 0.00 0.00 52.55 51.84 2h3k s ASP 64 Cb -0.08 -1.96 -0.07 0.00 -0.30 0.00 0.00 42.92 40.51 2h3k s ASP 64 CO 0.01 -0.35 0.50 -0.63 -0.17 0.00 0.00 175.17 174.53 2h3k s ILE 65 N 1.50 4.96 -0.17 4.11 1.09 -0.74 -3.09 121.20 128.86 2h3k s ILE 65 Ca 0.01 0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 60.13 2h3k s ILE 65 Cb -0.19 -3.67 -0.10 0.00 -1.06 0.00 0.00 42.46 37.43 2h3k s ILE 65 CO 0.05 0.17 -0.17 -3.20 -0.10 0.00 0.00 174.94 171.69 2h3k n ASN 66 N 0.56 2.31 -2.27 3.58 5.15 -0.45 -2.39 115.26 121.75 2h3k n ASN 66 Ca -0.04 -0.01 -0.26 0.00 -0.60 0.00 0.00 54.58 53.66 2h3k n ASN 66 Cb 0.52 -0.34 0.02 0.00 -0.53 0.00 0.00 39.78 39.45 2h3k n ASN 66 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2h3k n THR 67 N -3.21 3.21 -0.29 -0.44 -2.24 -1.26 -3.97 114.28 106.08 2h3k n THR 67 Ca -0.32 -2.61 0.26 0.00 -2.27 0.00 0.00 64.05 59.12 2h3k n THR 67 Cb 0.80 -1.36 0.59 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.18 2.51 0.00 6.98 0.00 -1.81 0.74 119.26 129.86 2h3k h ALA 68 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2h3k h ALA 68 Cb 0.74 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2h3k h ALA 68 CO 1.06 -0.86 0.00 1.03 0.00 0.00 0.00 179.25 180.48 2h3k h SER 69 N 0.25 0.00 0.17 0.00 0.87 -1.92 -1.89 113.55 111.03 2h3k h SER 69 Ca 0.55 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.98 2h3k h SER 69 Cb 1.65 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.59 2h3k h SER 69 CO -0.18 0.00 -1.96 0.35 -0.53 0.00 0.00 176.83 174.52 2h3k n THR 70 N -2.55 0.59 -2.10 2.23 -2.24 0.25 -4.92 114.28 105.54 2h3k n THR 70 Ca -0.01 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 2h3k n THR 70 Cb 0.10 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.14 3.19 -0.08 4.78 0.52 -0.71 -3.09 118.94 120.40 2h3k s TRP 71 Ca -0.07 0.90 0.01 0.00 0.02 0.00 0.00 56.10 56.95 2h3k s TRP 71 Cb 0.11 -3.75 -0.06 0.00 -1.15 0.00 0.00 33.47 28.62 2h3k s TRP 71 CO 0.87 -2.62 -0.06 1.17 0.02 0.00 0.00 176.95 176.32 2h3k n LYS 72 N 3.76 0.53 -4.21 4.98 0.00 -1.26 -2.46 118.16 119.51 2h3k n LYS 72 Ca 0.11 0.04 -0.13 0.00 0.00 0.00 0.00 58.31 58.33 2h3k n LYS 72 Cb 0.41 -1.17 -0.09 0.00 0.00 0.00 0.00 35.03 34.18 2h3k n LYS 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2h3k s LYS 73 N -2.17 1.33 -0.30 1.64 -0.14 -1.26 -1.94 119.74 116.90 2h3k s LYS 73 Ca -0.11 -1.69 -0.18 0.00 -1.36 0.00 0.00 55.97 52.64 2h3k s LYS 73 Cb 0.03 0.29 0.19 0.00 -1.68 0.00 0.00 37.83 36.66 2h3k s LYS 73 CO 0.21 -0.45 1.22 0.12 -0.76 0.00 0.00 175.35 175.68 2h3k s PHE 74 N -4.01 -0.20 -0.30 3.18 5.36 -1.21 -4.23 117.98 116.56 2h3k s PHE 74 Ca 0.39 0.43 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 2h3k s PHE 74 Cb 0.06 0.21 0.19 0.00 -0.34 0.00 0.00 43.02 43.13 2h3k s PHE 74 CO 0.15 -0.10 0.83 -1.21 -1.46 0.00 0.00 175.22 173.43 2h3k s GLU 75 N 0.88 0.36 0.26 10.12 2.02 0.03 -4.66 118.70 127.71 2h3k s GLU 75 Ca -0.05 0.55 -0.22 0.00 0.02 0.00 0.00 54.97 55.28 2h3k s GLU 75 Cb -0.03 0.29 -0.09 0.00 0.10 0.00 0.00 34.13 34.40 2h3k s GLU 75 CO -0.12 -0.48 0.80 0.14 0.02 0.00 0.00 175.26 175.62 2h3k s VAL 76 N 2.90 4.44 -0.05 2.63 -7.23 -1.26 -1.24 120.40 120.61 2h3k s VAL 76 Ca 0.12 1.47 0.01 0.00 -1.81 0.00 0.00 61.98 61.77 2h3k s VAL 76 Cb -0.10 -3.90 0.02 0.00 0.56 0.00 0.00 36.38 32.96 2h3k s VAL 76 CO -0.18 0.17 -0.04 -0.47 -0.31 0.00 0.00 175.10 174.26 2h3k s TYR 77 N -1.57 0.76 -0.01 2.82 5.04 -0.54 -1.00 117.35 122.84 2h3k s TYR 77 Ca 0.46 -0.21 0.04 0.00 -2.44 0.00 0.00 57.07 54.92 2h3k s TYR 77 Cb -0.17 -0.68 -0.01 0.00 0.35 0.00 0.00 41.96 41.45 2h3k s TYR 77 CO 0.22 -0.20 -0.13 -1.83 -1.34 0.00 0.00 175.55 172.27 2h3k s GLU 78 N 0.97 1.05 0.00 4.97 -1.05 -1.24 -1.41 118.70 121.98 2h3k s GLU 78 Ca -0.10 -0.46 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 2h3k s GLU 78 Cb -0.14 -1.01 0.00 0.00 -0.44 0.00 0.00 34.13 32.54 2h3k s GLU 78 CO -0.00 0.27 0.00 -1.71 0.95 0.00 0.00 175.26 174.77 2h3k n ASN 79 N 2.77 0.00 -2.67 0.83 2.85 -1.26 -3.20 115.26 114.58 2h3k n ASN 79 Ca -0.14 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.29 2h3k n ASN 79 Cb 0.56 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.67 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2h3k n ASN 80 N 1.52 -1.40 -3.15 1.20 5.15 -1.26 -5.12 115.26 112.20 2h3k n ASN 80 Ca 0.00 -2.13 0.05 0.00 -0.60 0.00 0.00 54.58 51.90 2h3k n ASN 80 Cb 0.00 1.25 -0.01 0.00 -0.53 0.00 0.00 39.78 40.49 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2h3k s GLN 81 N 0.08 0.15 -0.42 1.20 0.74 -1.19 -5.11 119.66 115.11 2h3k s GLN 81 Ca 0.19 0.24 -0.28 0.00 0.05 0.00 0.00 55.36 55.56 2h3k s GLN 81 Cb 0.28 0.13 -0.01 0.00 1.10 0.00 0.00 33.01 34.51 2h3k s GLN 81 CO -0.16 -0.19 1.63 0.15 -0.55 0.00 0.00 175.29 176.18 2h3k s LYS 82 N 2.96 3.32 0.35 1.67 1.02 -1.26 -3.68 119.74 124.12 2h3k s LYS 82 Ca 0.03 1.05 -0.27 0.00 0.02 0.00 0.00 55.97 56.81 2h3k s LYS 82 Cb -0.08 -4.15 -0.09 0.00 -0.52 0.00 0.00 37.83 32.98 2h3k s LYS 82 CO -0.13 -1.88 1.17 -0.51 -0.92 0.00 0.00 175.35 173.09 2h3k s LEU 83 N 6.58 4.36 0.08 3.17 1.43 -0.17 -4.94 118.68 129.18 2h3k s LEU 83 Ca 0.69 2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 55.87 2h3k s LEU 83 Cb -0.17 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 2h3k s LEU 83 CO 0.31 -0.47 1.00 -2.16 0.23 0.00 0.00 176.35 175.26 2h3k s PRO 84 N -1.93 4.62 -0.05 1.29 0.04 -1.26 -4.01 135.00 133.69 2h3k s PRO 84 Ca 0.51 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 2h3k s PRO 84 Cb -0.33 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 2h3k s PRO 84 CO 0.42 0.07 0.29 0.54 0.04 0.00 0.00 177.00 178.37 2h3k s VAL 85 N 0.40 5.23 0.31 -0.36 0.11 -1.26 -4.79 120.40 120.04 2h3k s VAL 85 Ca 0.50 0.57 0.10 0.00 -2.93 0.00 0.00 61.98 60.22 2h3k s VAL 85 Cb -0.24 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2h3k s VAL 85 CO 0.30 0.60 -0.13 0.00 -3.33 0.00 0.00 175.10 172.53 2h3k s ARG 86 N -1.05 1.73 -0.21 1.54 1.70 -1.22 -4.97 118.95 116.47 2h3k s ARG 86 Ca 0.20 -1.85 -0.05 0.00 -0.47 0.00 0.00 55.73 53.56 2h3k s ARG 86 Cb -0.15 -1.67 -0.02 0.00 -0.57 0.00 0.00 34.95 32.55 2h3k s ARG 86 CO 0.09 0.20 0.00 -0.51 -1.08 0.00 0.00 175.30 174.01 2h3k s LEU 87 N -3.55 3.22 -0.04 -1.89 1.02 -1.26 -2.77 118.68 113.42 2h3k s LEU 87 Ca 0.31 -0.23 0.20 0.00 0.02 0.00 0.00 54.13 54.43 2h3k s LEU 87 Cb -0.00 -1.82 -0.26 0.00 0.02 0.00 0.00 46.19 44.13 2h3k s LEU 87 CO 0.15 0.04 0.48 1.33 0.02 0.00 0.00 176.35 178.37 2h3k n VAL 88 N 4.41 0.55 -3.58 -1.59 0.24 -0.70 -4.99 118.33 112.67 2h3k n VAL 88 Ca -0.17 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.34 61.40 2h3k n VAL 88 Cb 0.52 -0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2h3k s SER 89 N -5.00 -0.42 -0.16 -1.34 0.15 -1.24 -4.43 113.70 101.26 2h3k s SER 89 Ca -0.07 0.50 -0.07 0.00 0.70 0.00 0.00 55.95 57.01 2h3k s SER 89 Cb 0.11 0.41 0.07 0.00 -1.71 0.00 0.00 66.02 64.89 2h3k s SER 89 CO 0.87 -0.36 0.36 -0.47 1.20 0.00 0.00 173.24 174.84 2h3k s TYR 90 N -0.96 -0.58 0.54 3.44 5.04 0.18 0.90 117.35 125.91 2h3k s TYR 90 Ca -0.02 1.21 -0.17 0.00 -2.44 0.00 0.00 57.07 55.65 2h3k s TYR 90 Cb -0.01 0.19 -0.06 0.00 0.35 0.00 0.00 41.96 42.43 2h3k s TYR 90 CO 0.02 -0.36 1.03 0.45 -1.34 0.00 0.00 175.55 175.34 2h3k s SER 91 N 1.86 6.19 0.90 4.32 0.15 0.30 -2.85 113.70 124.57 2h3k s SER 91 Ca -0.06 1.77 -0.11 0.00 0.70 0.00 0.00 55.95 58.24 2h3k s SER 91 Cb -0.10 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 61.81 2h3k s SER 91 CO -0.11 -0.88 1.09 -2.16 1.20 0.00 0.00 173.24 172.37 2h3k s PRO 92 N -3.84 1.18 0.14 5.44 0.04 -1.26 -3.71 135.00 132.99 2h3k s PRO 92 Ca 0.63 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 2h3k s PRO 92 Cb -0.14 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.74 2h3k s PRO 92 CO 0.30 -2.31 0.99 0.28 0.04 0.00 0.00 177.00 176.30 2h3k n VAL 93 N -3.94 -0.34 -0.14 -0.36 0.31 -1.26 0.13 118.33 112.72 2h3k n VAL 93 Ca 0.07 1.50 0.06 0.00 -0.01 0.00 0.00 64.34 65.96 2h3k n VAL 93 Cb 0.55 -1.97 0.37 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.69 0.10 5.55 0.13 -2.04 -2.37 132.00 134.07 2h3k h PRO 94 Ca 0.21 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.97 2h3k h PRO 94 Cb 0.37 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.33 2h3k h PRO 94 CO -0.63 0.46 -1.75 0.93 -0.23 0.00 0.00 178.00 176.78 2h3k h GLU 95 N 0.71 0.22 -5.91 0.86 3.07 0.37 -3.49 114.58 110.41 2h3k h GLU 95 Ca 0.27 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 2h3k h GLU 95 Cb 0.18 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2h3k h GLU 95 CO -0.08 1.05 -0.97 -3.47 -1.40 0.00 0.00 179.01 174.14 2h3k n ASP 96 N -3.40 -6.94 -3.42 1.42 2.03 0.35 -4.93 116.55 101.67 2h3k n ASP 96 Ca -0.23 0.56 0.01 0.00 0.52 0.00 0.00 54.79 55.66 2h3k n ASP 96 Cb 1.05 -3.21 -0.03 0.00 -0.72 0.00 0.00 41.12 38.21 2h3k n ASP 96 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2h3k s HIS 97 N -1.55 -1.28 -0.13 -0.67 3.76 -1.24 -4.43 115.29 109.76 2h3k s HIS 97 Ca 0.13 1.84 -0.01 0.00 -0.15 0.00 0.00 55.06 56.87 2h3k s HIS 97 Cb -0.02 0.63 -0.02 0.00 1.11 0.00 0.00 32.58 34.27 2h3k s HIS 97 CO 0.54 -0.66 -0.09 0.00 -0.85 0.00 0.00 174.74 173.68 2h3k s ALA 98 N 2.82 2.81 -0.17 -1.40 0.00 -1.01 0.11 121.76 124.93 2h3k s ALA 98 Ca 0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 2h3k s ALA 98 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 2h3k s ALA 98 CO -0.19 0.27 0.07 0.71 0.00 0.00 0.00 175.76 176.62 2h3k s TYR 99 N 0.23 3.28 0.24 0.00 2.02 0.26 -1.78 117.35 121.60 2h3k s TYR 99 Ca -0.06 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2h3k s TYR 99 Cb -0.15 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2h3k s TYR 99 CO 0.04 0.25 0.13 0.96 -1.57 0.00 0.00 175.55 175.36 2h3k s ILE 100 N 0.10 0.23 -0.15 2.71 -5.25 -1.17 -1.71 121.20 115.97 2h3k s ILE 100 Ca 0.05 -2.00 -0.30 0.00 -0.99 0.00 0.00 60.65 57.41 2h3k s ILE 100 Cb -0.12 -2.55 0.13 0.00 2.95 0.00 0.00 42.46 42.87 2h3k s ILE 100 CO 0.01 0.00 1.02 0.00 -1.79 0.00 0.00 174.94 174.17 2h3k s ARG 101 N -4.03 0.57 0.12 0.37 1.70 -1.11 -1.57 118.95 115.00 2h3k s ARG 101 Ca 0.38 0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 2h3k s ARG 101 Cb 0.07 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2h3k s ARG 101 CO 0.14 -0.19 0.00 -0.59 -1.08 0.00 0.00 175.30 173.58 2h3k s PHE 102 N -1.40 0.90 0.64 5.89 -0.71 -1.02 -3.38 117.98 118.91 2h3k s PHE 102 Ca 0.00 -1.09 -0.13 0.00 -1.04 0.00 0.00 56.93 54.67 2h3k s PHE 102 Cb -0.01 -0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 41.26 2h3k s PHE 102 CO -0.00 -0.34 1.06 -1.25 -1.34 0.00 0.00 175.22 173.34 2h3k s PRO 103 N -3.95 3.12 -0.33 1.99 0.04 -1.26 -2.04 135.00 132.56 2h3k s PRO 103 Ca 0.19 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 2h3k s PRO 103 Cb 0.07 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.71 2h3k s PRO 103 CO -0.01 -0.96 0.15 0.14 0.04 0.00 0.00 177.00 176.35 2h3k s VAL 104 N -2.73 0.49 0.28 -0.36 -7.23 -1.22 -4.90 120.40 104.74 2h3k s VAL 104 Ca 0.61 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2h3k s VAL 104 Cb -0.15 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 2h3k s VAL 104 CO 0.45 -0.78 0.51 -0.94 -0.31 0.00 0.00 175.10 174.03 2h3k s SER 105 N 1.51 6.40 -1.48 4.85 1.04 -1.26 -4.23 113.70 120.53 2h3k s SER 105 Ca 0.12 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.14 2h3k s SER 105 Cb -0.19 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2h3k s SER 105 CO -0.21 -0.18 0.00 -0.67 0.98 0.00 0.00 173.24 173.17 2h3k n ASP 106 N -1.02 -4.73 -1.75 7.02 2.03 -1.26 -2.13 116.55 114.71 2h3k n ASP 106 Ca -0.03 0.21 -0.16 0.00 0.52 0.00 0.00 54.79 55.33 2h3k n ASP 106 Cb 0.54 -3.70 -0.01 0.00 -0.72 0.00 0.00 41.12 37.23 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h3k n GLY 107 N -1.07 -0.10 3.06 0.27 0.00 -1.23 -4.83 105.19 101.29 2h3k n GLY 107 Ca -0.16 -0.23 -0.54 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.87 0.00 -1.09 2.61 -1.04 -0.90 -2.56 114.28 107.43 2h3k n THR 108 Ca -0.19 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.88 2h3k n THR 108 Cb 0.63 -0.26 0.08 0.00 -1.82 0.00 0.00 70.33 68.96 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 2.55 1.20 -3.50 -2.82 7.27 -1.26 -2.90 117.38 117.93 2h3k n GLN 109 Ca 0.22 -1.91 0.00 0.00 0.07 0.00 0.00 57.00 55.39 2h3k n GLN 109 Cb -0.01 -1.13 -0.05 0.00 2.41 0.00 0.00 30.24 31.47 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 -1.73 0.31 0.02 3.69 -1.05 -1.26 0.17 118.70 118.85 2h3k s GLU 110 Ca 0.17 0.67 0.01 0.00 -0.15 0.00 0.00 54.97 55.67 2h3k s GLU 110 Cb 0.15 0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2h3k s GLU 110 CO 0.02 -0.09 -0.05 -0.48 0.95 0.00 0.00 175.26 175.61 2h3k s LEU 111 N 1.98 2.14 -0.65 1.83 2.34 -0.97 -4.77 118.68 120.58 2h3k s LEU 111 Ca -0.05 -0.31 -0.24 0.00 0.06 0.00 0.00 54.13 53.58 2h3k s LEU 111 Cb -0.05 -0.12 0.05 0.00 -0.56 0.00 0.00 46.19 45.52 2h3k s LEU 111 CO -0.16 -0.11 1.05 -0.54 -1.06 0.00 0.00 176.35 175.53 2h3k s LYS 112 N -0.86 3.19 0.10 1.48 3.01 -0.50 -2.18 119.74 123.99 2h3k s LYS 112 Ca -0.06 -0.52 -0.31 0.00 -1.01 0.00 0.00 55.97 54.07 2h3k s LYS 112 Cb -0.06 -4.17 -0.08 0.00 -1.01 0.00 0.00 37.83 32.51 2h3k s LYS 112 CO -0.00 -1.83 1.39 0.42 0.51 0.00 0.00 175.35 175.84 2h3k s ILE 113 N 4.50 3.36 -0.26 2.17 1.09 -0.40 -1.47 121.20 130.19 2h3k s ILE 113 Ca 0.28 0.96 -0.02 0.00 -1.10 0.00 0.00 60.65 60.77 2h3k s ILE 113 Cb -0.13 -3.61 0.03 0.00 -1.06 0.00 0.00 42.46 37.68 2h3k s ILE 113 CO 0.14 0.07 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.32 2h3k s VAL 114 N 1.25 3.02 0.28 2.92 1.01 -0.37 -2.68 120.40 125.82 2h3k s VAL 114 Ca 0.64 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 2h3k s VAL 114 Cb -0.36 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.53 2h3k s VAL 114 CO 0.30 0.15 0.91 -0.94 0.00 0.00 0.00 175.10 175.52 2h3k s SER 115 N 1.34 -0.01 -0.36 3.32 1.04 -0.84 -0.79 113.70 117.40 2h3k s SER 115 Ca -0.00 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.61 2h3k s SER 115 Cb -0.17 0.67 0.18 0.00 0.10 0.00 0.00 66.02 66.80 2h3k s SER 115 CO -0.03 -1.33 0.58 -0.94 0.98 0.00 0.00 173.24 172.50 2h3k s SER 116 N -3.22 -1.16 0.45 7.02 1.04 -1.26 0.13 113.70 116.70 2h3k s SER 116 Ca 0.18 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 2h3k s SER 116 Cb -0.04 1.79 -0.02 0.00 0.10 0.00 0.00 66.02 67.85 2h3k s SER 116 CO 0.08 -0.23 0.70 0.42 0.98 0.00 0.00 173.24 175.19 2h3k s THR 117 N 2.18 4.64 -0.26 2.02 -4.23 -0.52 -4.19 115.64 115.27 2h3k s THR 117 Ca 0.14 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.38 2h3k s THR 117 Cb -0.08 -3.74 0.11 0.00 1.34 0.00 0.00 72.50 70.14 2h3k s THR 117 CO -0.15 -0.61 0.57 -1.58 -0.54 0.00 0.00 174.62 172.31 2h3k s GLN 118 N -4.60 0.50 -0.14 3.99 0.74 -1.18 -1.79 119.66 117.18 2h3k s GLN 118 Ca 0.46 1.28 0.15 0.00 0.05 0.00 0.00 55.36 57.31 2h3k s GLN 118 Cb -0.10 0.62 0.52 0.00 1.10 0.00 0.00 33.01 35.15 2h3k s GLN 118 CO 0.41 -0.21 1.43 -0.89 -0.55 0.00 0.00 175.29 175.48 2h3k n ILE 119 N 5.31 2.05 -3.82 -2.34 -0.00 -1.26 -4.78 119.36 114.52 2h3k n ILE 119 Ca -0.12 -1.62 -0.25 0.00 -0.00 0.00 0.00 62.75 60.76 2h3k n ILE 119 Cb 0.50 -0.08 0.02 0.00 -0.00 0.00 0.00 39.64 40.08 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 -0.11 -2.13 -0.01 4.38 -0.08 -1.26 -4.90 116.55 112.45 2h3k n ASP 120 Ca 0.20 -0.84 -0.02 0.00 -1.51 0.00 0.00 54.79 52.61 2h3k n ASP 120 Cb 0.83 -3.80 -0.01 0.00 2.34 0.00 0.00 41.12 40.48 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2h3k n ASP 121 N -2.97 0.90 0.00 1.67 -0.08 -1.26 -5.08 116.55 109.74 2h3k n ASP 121 Ca -0.19 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2h3k n ASP 121 Cb 0.63 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2h3k n ASP 121 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2h3k n GLY 122 N 2.58 0.14 3.52 0.27 0.00 -1.26 -5.11 105.19 105.32 2h3k n GLY 122 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2h3k n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3k s GLU 123 N 0.00 2.88 0.32 1.61 0.41 -1.26 -5.08 118.70 117.57 2h3k s GLU 123 Ca 0.00 -0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 53.67 2h3k s GLU 123 Cb 0.00 -2.58 -0.11 0.00 -1.78 0.00 0.00 34.13 29.66 2h3k s GLU 123 CO 0.00 0.54 1.50 -2.00 -0.49 0.00 0.00 175.26 174.82 2h3k s GLU 124 N -0.50 4.17 -0.98 1.61 2.12 -1.26 -4.92 118.70 118.93 2h3k s GLU 124 Ca 0.07 2.49 -0.16 0.00 0.36 0.00 0.00 54.97 57.74 2h3k s GLU 124 Cb -0.12 -3.02 0.17 0.00 0.26 0.00 0.00 34.13 31.42 2h3k s GLU 124 CO 0.02 -0.52 1.10 0.99 -0.54 0.00 0.00 175.26 176.31 2h3k s THR 125 N -0.51 5.13 -0.40 -1.70 2.01 -0.74 -5.00 115.64 114.43 2h3k s THR 125 Ca 0.57 -2.18 -0.22 0.00 0.31 0.00 0.00 61.69 60.17 2h3k s THR 125 Cb -0.46 -4.71 0.01 0.00 0.01 0.00 0.00 72.50 67.35 2h3k s THR 125 CO 0.53 -1.38 0.74 0.21 -0.69 0.00 0.00 174.62 174.03 2h3k s ASN 126 N 2.90 6.46 -1.24 3.53 3.84 -1.26 -1.44 114.94 127.73 2h3k s ASN 126 Ca 0.31 0.09 -0.07 0.00 0.21 0.00 0.00 52.86 53.40 2h3k s ASN 126 Cb -0.06 -2.37 0.19 0.00 -0.55 0.00 0.00 41.25 38.46 2h3k s ASN 126 CO -0.07 -0.77 1.91 -1.22 -2.79 0.00 0.00 177.10 174.15 2h3k n TYR 127 N 6.43 2.71 -0.36 0.43 4.01 0.35 -4.76 117.16 125.96 2h3k n TYR 127 Ca 0.01 -2.74 0.03 0.00 -0.16 0.00 0.00 57.90 55.05 2h3k n TYR 127 Cb 0.48 -1.75 0.19 0.00 -0.31 0.00 0.00 39.34 37.95 2h3k n TYR 127 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2h3k h ASP 128 N 5.36 1.02 -2.06 7.72 3.58 -1.86 -2.25 116.42 127.94 2h3k h ASP 128 Ca 0.43 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.65 2h3k h ASP 128 Cb 0.54 -0.21 -0.32 0.00 1.72 0.00 0.00 39.33 41.06 2h3k h ASP 128 CO 1.52 0.66 -0.56 -0.47 -2.88 0.00 0.00 179.24 177.51 2h3k s TYR 129 N -6.01 -0.65 -0.30 0.28 5.04 -1.26 -4.75 117.35 109.69 2h3k s TYR 129 Ca -0.12 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2h3k s TYR 129 Cb 0.20 -0.21 0.07 0.00 0.35 0.00 0.00 41.96 42.37 2h3k s TYR 129 CO 0.81 -0.79 -0.02 0.99 -1.34 0.00 0.00 175.55 175.21 2h3k s THR 130 N 2.45 2.57 -0.70 4.34 2.01 -1.09 -4.38 115.64 120.84 2h3k s THR 130 Ca 0.10 -1.71 -0.27 0.00 0.31 0.00 0.00 61.69 60.12 2h3k s THR 130 Cb -0.15 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.79 2h3k s THR 130 CO -0.22 -0.22 1.45 -0.75 -0.69 0.00 0.00 174.62 174.20 2h3k s LYS 131 N 1.12 3.02 -0.52 4.92 2.20 -0.99 -1.27 119.74 128.22 2h3k s LYS 131 Ca -0.03 0.01 -0.15 0.00 -0.36 0.00 0.00 55.97 55.44 2h3k s LYS 131 Cb -0.20 -4.25 0.12 0.00 -1.51 0.00 0.00 37.83 31.99 2h3k s LYS 131 CO -0.04 -2.32 0.46 -1.17 -0.36 0.00 0.00 175.35 171.91 2h3k s LEU 132 N 6.73 6.01 -0.36 5.43 0.20 -0.93 -2.14 118.68 133.63 2h3k s LEU 132 Ca 0.45 -1.75 -0.22 0.00 0.69 0.00 0.00 54.13 53.30 2h3k s LEU 132 Cb -0.09 -2.17 0.01 0.00 -0.43 0.00 0.00 46.19 43.51 2h3k s LEU 132 CO 0.17 -0.80 0.73 -0.69 -0.29 0.00 0.00 176.35 175.46 2h3k s VAL 133 N 1.56 4.79 1.06 1.68 1.01 -0.70 -2.28 120.40 127.53 2h3k s VAL 133 Ca 0.04 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 2h3k s VAL 133 Cb -0.29 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 31.99 2h3k s VAL 133 CO 0.03 -0.39 -0.01 0.49 0.00 0.00 0.00 175.10 175.22 2h3k n PHE 134 N 6.27 -1.57 0.20 5.22 3.72 0.13 -0.64 117.46 130.79 2h3k n PHE 134 Ca 0.01 0.19 0.08 0.00 -0.05 0.00 0.00 57.45 57.68 2h3k n PHE 134 Cb 0.48 -1.61 0.35 0.00 -0.94 0.00 0.00 39.48 37.76 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 -1.82 0.95 -2.93 4.37 0.00 -0.17 -3.42 119.26 116.24 2h3k h ALA 135 Ca -0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 2h3k h ALA 135 Cb 1.34 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2h3k h ALA 135 CO 0.36 0.36 0.06 -1.59 0.00 0.00 0.00 179.25 178.44 2h3k s LYS 136 N -3.49 1.78 0.08 0.00 -2.85 -1.26 -4.99 119.74 109.00 2h3k s LYS 136 Ca 0.01 -1.23 -0.31 0.00 -1.00 0.00 0.00 55.97 53.45 2h3k s LYS 136 Cb 0.10 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.34 2h3k s LYS 136 CO 0.67 -0.78 1.33 -1.25 0.10 0.00 0.00 175.35 175.41 2h3k s PRO 137 N -3.63 4.35 -1.07 1.78 0.04 -1.26 -4.66 135.00 130.55 2h3k s PRO 137 Ca 0.18 1.96 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 2h3k s PRO 137 Cb -0.03 -3.33 0.17 0.00 0.04 0.00 0.00 34.50 31.35 2h3k s PRO 137 CO 0.10 -0.40 1.23 0.42 0.04 0.00 0.00 177.00 178.39 2h3k s ILE 138 N 1.29 5.10 -0.23 0.56 -1.09 -1.06 -4.94 121.20 120.84 2h3k s ILE 138 Ca 0.62 -2.36 -0.17 0.00 -2.23 0.00 0.00 60.65 56.51 2h3k s ILE 138 Cb -0.34 -4.79 -0.03 0.00 -1.58 0.00 0.00 42.46 35.72 2h3k s ILE 138 CO 0.29 -1.48 0.45 -0.31 -1.23 0.00 0.00 174.94 172.66 2h3k s TYR 139 N 1.48 3.33 1.30 3.97 2.02 -1.26 -3.58 117.35 124.59 2h3k s TYR 139 Ca 0.36 0.62 -0.18 0.00 -0.37 0.00 0.00 57.07 57.49 2h3k s TYR 139 Cb -0.05 -2.61 0.32 0.00 -0.40 0.00 0.00 41.96 39.22 2h3k s TYR 139 CO -0.05 -0.13 0.99 0.54 -1.57 0.00 0.00 175.55 175.32 2h3k s ASN 140 N 1.29 -0.03 -0.76 2.29 4.22 -1.26 -4.94 114.94 115.75 2h3k s ASN 140 Ca 0.20 1.07 -0.01 0.00 -2.14 0.00 0.00 52.86 51.98 2h3k s ASN 140 Cb -0.15 -1.60 0.19 0.00 1.28 0.00 0.00 41.25 40.97 2h3k s ASN 140 CO 0.09 -4.76 0.61 -1.81 -2.04 0.00 0.00 177.10 169.19 2h3k s ASP 141 N -3.00 5.55 0.23 3.54 1.01 -1.26 -4.87 116.67 117.86 2h3k s ASP 141 Ca 0.69 -3.39 0.24 0.00 0.71 0.00 0.00 52.55 50.80 2h3k s ASP 141 Cb -0.17 -1.86 0.93 0.00 1.01 0.00 0.00 42.92 42.83 2h3k s ASP 141 CO 0.60 -0.25 1.72 -0.81 0.21 0.00 0.00 175.17 176.64 2h3k n PRO 142 N 2.76 0.19 -1.43 8.23 -0.04 -1.26 -3.08 135.00 140.37 2h3k n PRO 142 Ca 0.16 0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 2h3k n PRO 142 Cb 0.37 -1.83 0.10 0.00 -0.04 0.00 0.00 33.50 32.10 2h3k n PRO 142 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2h3k n SER 143 N -2.19 2.02 0.00 3.54 2.88 -1.26 -5.14 113.62 113.47 2h3k n SER 143 Ca 0.03 -3.03 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 2h3k n SER 143 Cb 0.27 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70