#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 6.34 0.00 0.00 1.11 -1.26 -4.96 116.67 117.89 2h3k s ASP 2 Ca 0.00 0.39 0.00 0.00 0.18 0.00 0.00 52.55 53.12 2h3k s ASP 2 Cb 0.00 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.78 2h3k s ASP 2 CO 0.00 -0.10 0.00 1.21 1.18 0.00 0.00 175.17 177.46 2h3k n GLU 3 N 4.74 3.97 -4.78 8.23 2.13 -1.26 -5.14 120.64 128.53 2h3k n GLU 3 Ca -0.09 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.48 2h3k n GLU 3 Cb 0.51 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 32.06 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 0.30 2.04 0.40 4.31 0.01 -1.26 -4.72 113.70 114.79 2h3k s SER 4 Ca 0.00 -0.33 0.11 0.00 1.31 0.00 0.00 55.95 57.04 2h3k s SER 4 Cb 0.00 -0.54 0.92 0.00 0.21 0.00 0.00 66.02 66.60 2h3k s SER 4 CO 0.00 0.15 1.97 -0.07 0.41 0.00 0.00 173.24 175.69 2h3k h LEU 5 N 6.24 0.49 -0.67 2.44 4.07 -1.79 0.26 115.31 126.34 2h3k h LEU 5 Ca -0.33 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2h3k h LEU 5 Cb 1.17 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2h3k h LEU 5 CO 0.48 0.30 0.00 0.50 -1.08 0.00 0.00 178.44 178.64 2h3k h LYS 6 N 0.54 0.00 0.00 1.13 3.64 -1.69 -2.32 116.57 117.87 2h3k h LYS 6 Ca 0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2h3k h LYS 6 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2h3k h LYS 6 CO -0.10 0.00 -1.86 -3.47 -2.27 0.00 0.00 179.45 171.75 2h3k n ASP 7 N -2.55 0.86 0.02 4.20 -0.08 0.55 -4.43 116.55 115.13 2h3k n ASP 7 Ca 0.03 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.26 2h3k n ASP 7 Cb 0.32 1.73 -0.10 0.00 2.34 0.00 0.00 41.12 45.41 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 1.57 0.66 -0.27 -1.67 0.00 -0.58 -3.32 119.26 115.64 2h3k h ALA 8 Ca -0.05 -1.08 0.08 0.00 0.00 0.00 0.00 54.91 53.86 2h3k h ALA 8 Cb 0.96 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2h3k h ALA 8 CO 0.00 1.23 0.37 -0.84 0.00 0.00 0.00 179.25 180.01 2h3k h ILE 9 N 0.00 0.30 -2.61 0.00 3.07 -1.63 -3.06 117.51 113.58 2h3k h ILE 9 Ca -0.17 0.00 -0.79 0.00 1.55 0.00 0.00 64.86 65.44 2h3k h ILE 9 Cb 1.78 0.69 -0.25 0.00 -0.27 0.00 0.00 36.82 38.77 2h3k h ILE 9 CO 0.08 0.00 1.06 1.17 -1.05 0.00 0.00 178.15 179.40 2h3k n LYS 10 N -3.54 4.11 -4.08 0.16 3.00 -1.25 -4.90 118.16 111.67 2h3k n LYS 10 Ca 0.04 -4.27 -0.14 0.00 -0.00 0.00 0.00 58.31 53.94 2h3k n LYS 10 Cb 0.51 -2.64 -0.12 0.00 0.00 0.00 0.00 35.03 32.79 2h3k n LYS 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2h3k s ASP 11 N -0.53 0.94 0.45 3.14 1.01 -1.16 -5.03 116.67 115.49 2h3k s ASP 11 Ca 0.34 -0.54 0.25 0.00 0.71 0.00 0.00 52.55 53.31 2h3k s ASP 11 Cb 0.04 0.02 0.83 0.00 1.01 0.00 0.00 42.92 44.82 2h3k s ASP 11 CO 0.05 -0.18 1.78 1.55 0.21 0.00 0.00 175.17 178.59 2h3k h PRO 12 N 4.55 0.00 0.04 8.23 0.13 -1.93 -3.07 132.00 139.94 2h3k h PRO 12 Ca -0.36 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.49 2h3k h PRO 12 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2h3k h PRO 12 CO 0.41 0.16 -1.56 0.00 -0.23 0.00 0.00 178.00 176.78 2h3k h ALA 13 N 1.84 0.56 -0.62 -0.56 0.00 -1.97 -3.31 119.26 115.20 2h3k h ALA 13 Ca -0.00 -1.28 -0.24 0.00 0.00 0.00 0.00 54.91 53.39 2h3k h ALA 13 Cb 0.81 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 2h3k h ALA 13 CO 0.02 1.41 0.31 1.28 0.00 0.00 0.00 179.25 182.26 2h3k n LEU 14 N -3.23 5.30 -4.44 0.00 4.77 -1.19 -4.57 117.00 113.64 2h3k n LEU 14 Ca -0.15 -2.77 -0.44 0.00 -0.03 0.00 0.00 56.01 52.62 2h3k n LEU 14 Cb 1.03 -0.71 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2h3k n LEU 14 CO 0.46 0.77 1.24 -0.70 -1.33 0.00 0.00 177.39 177.83 2h3k s GLU 15 N -2.39 4.04 -0.94 3.23 2.12 -1.17 -0.34 118.70 123.26 2h3k s GLU 15 Ca 0.41 -2.57 -0.05 0.00 0.36 0.00 0.00 54.97 53.13 2h3k s GLU 15 Cb 0.34 -4.96 -0.05 0.00 0.26 0.00 0.00 34.13 29.71 2h3k s GLU 15 CO 0.09 -1.68 0.83 -1.71 -0.54 0.00 0.00 175.26 172.25 2h3k n ASN 16 N 5.31 -6.60 -4.72 -1.70 2.85 -1.06 -4.95 115.26 104.39 2h3k n ASN 16 Ca 0.33 -0.56 -0.25 0.00 -0.11 0.00 0.00 54.58 53.98 2h3k n ASN 16 Cb 0.43 -4.98 0.10 0.00 1.24 0.00 0.00 39.78 36.56 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2h3k s LYS 17 N -4.08 1.82 -1.14 1.20 2.20 -1.26 -5.00 119.74 113.47 2h3k s LYS 17 Ca 0.36 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 55.26 2h3k s LYS 17 Cb -0.05 -2.20 0.24 0.00 -1.51 0.00 0.00 37.83 34.31 2h3k s LYS 17 CO 0.70 -1.44 1.21 -2.00 -0.36 0.00 0.00 175.35 173.46 2h3k s GLU 18 N -5.27 4.16 -1.41 4.03 2.56 -1.26 -4.91 118.70 116.61 2h3k s GLU 18 Ca 0.64 -3.00 -0.09 0.00 0.00 0.00 0.00 54.97 52.51 2h3k s GLU 18 Cb -0.08 -4.72 -0.10 0.00 2.00 0.00 0.00 34.13 31.23 2h3k s GLU 18 CO 0.45 -1.41 3.02 -2.39 -0.56 0.00 0.00 175.26 174.37 2h3k n HIS 19 N 3.67 2.13 -2.74 5.30 1.44 -1.26 -4.24 115.22 119.51 2h3k n HIS 19 Ca 0.28 -2.88 -0.04 0.00 -2.01 0.00 0.00 57.72 53.07 2h3k n HIS 19 Cb 0.40 -2.35 0.07 0.00 0.12 0.00 0.00 29.99 28.24 2h3k n HIS 19 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2h3k n ASP 20 N 3.33 0.52 -4.23 4.39 8.00 -1.26 -5.10 116.55 122.21 2h3k n ASP 20 Ca 0.73 -2.30 -0.30 0.00 0.71 0.00 0.00 54.79 53.63 2h3k n ASP 20 Cb 0.32 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.12 41.17 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2h3k s ILE 21 N -2.37 1.90 0.00 0.53 1.01 -1.26 -5.05 121.20 115.96 2h3k s ILE 21 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2h3k s ILE 21 Cb 0.39 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 41.25 2h3k s ILE 21 CO -0.04 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2h3k n GLY 22 N 3.04 -1.75 3.72 6.18 0.00 -1.26 -4.99 105.19 110.14 2h3k n GLY 22 Ca -0.18 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.04 -0.04 1.61 0.04 -1.26 -5.08 135.00 130.23 2h3k s PRO 23 Ca 0.00 0.01 -0.31 0.00 0.04 0.00 0.00 61.00 60.75 2h3k s PRO 23 Cb 0.00 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.94 2h3k s PRO 23 CO 0.00 -2.94 1.33 -0.98 0.04 0.00 0.00 177.00 174.45 2h3k s ARG 24 N -5.43 0.30 0.24 4.56 1.70 -1.26 -4.64 118.95 114.43 2h3k s ARG 24 Ca 0.69 -0.17 -0.12 0.00 -0.47 0.00 0.00 55.73 55.67 2h3k s ARG 24 Cb -0.11 0.10 0.05 0.00 -0.57 0.00 0.00 34.95 34.42 2h3k s ARG 24 CO 0.55 -0.14 0.61 0.39 -1.08 0.00 0.00 175.30 175.63 2h3k n GLU 25 N -0.52 0.71 -4.35 3.89 1.02 0.86 -4.87 120.64 117.39 2h3k n GLU 25 Ca -0.08 -1.44 -0.21 0.00 -0.02 0.00 0.00 57.16 55.41 2h3k n GLU 25 Cb 0.63 1.83 -0.16 0.00 -0.02 0.00 0.00 31.44 33.71 2h3k n GLU 25 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2h3k s GLN 26 N -2.06 1.09 -0.03 3.49 -2.07 -1.26 -2.36 119.66 116.47 2h3k s GLN 26 Ca 0.13 -0.25 -0.03 0.00 -1.82 0.00 0.00 55.36 53.39 2h3k s GLN 26 Cb -0.03 -0.99 0.01 0.00 -1.09 0.00 0.00 33.01 30.90 2h3k s GLN 26 CO 0.07 0.01 0.08 0.08 -1.32 0.00 0.00 175.29 174.21 2h3k s VAL 27 N 0.59 0.01 0.58 3.63 1.01 0.43 -4.88 120.40 121.78 2h3k s VAL 27 Ca -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2h3k s VAL 27 Cb -0.13 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.15 2h3k s VAL 27 CO 0.01 -0.04 0.83 0.21 0.00 0.00 0.00 175.10 176.11 2h3k s ASN 28 N -0.10 5.22 0.00 3.32 2.47 -1.26 0.14 114.94 124.73 2h3k s ASN 28 Ca -0.02 0.16 0.01 0.00 0.42 0.00 0.00 52.86 53.44 2h3k s ASN 28 Cb -0.01 -1.02 -0.00 0.00 -1.45 0.00 0.00 41.25 38.76 2h3k s ASN 28 CO 0.00 -1.22 -0.03 0.72 -3.72 0.00 0.00 177.10 172.85 2h3k s PHE 29 N -2.88 0.26 -0.37 0.43 -0.12 -1.26 -0.41 117.98 113.62 2h3k s PHE 29 Ca 0.57 -0.09 -0.17 0.00 -0.05 0.00 0.00 56.93 57.19 2h3k s PHE 29 Cb -0.10 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 2h3k s PHE 29 CO 0.40 -0.02 0.45 -0.65 -0.05 0.00 0.00 175.22 175.36 2h3k s GLN 30 N -0.21 3.44 -0.24 1.99 1.11 0.12 -4.90 119.66 120.96 2h3k s GLN 30 Ca -0.00 -0.42 -0.26 0.00 0.01 0.00 0.00 55.36 54.69 2h3k s GLN 30 Cb -0.02 -3.86 0.00 0.00 -1.01 0.00 0.00 33.01 28.12 2h3k s GLN 30 CO -0.00 -0.68 0.90 -0.51 0.01 0.00 0.00 175.29 175.00 2h3k s LEU 31 N 2.23 4.08 -0.04 2.90 1.43 -1.26 -1.45 118.68 126.57 2h3k s LEU 31 Ca 0.15 1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2h3k s LEU 31 Cb -0.16 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.79 2h3k s LEU 31 CO 0.13 -0.57 0.05 -0.76 0.23 0.00 0.00 176.35 175.43 2h3k s LEU 32 N 2.97 0.37 0.00 1.79 1.43 -0.70 -4.01 118.68 120.53 2h3k s LEU 32 Ca 0.38 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2h3k s LEU 32 Cb -0.15 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.92 2h3k s LEU 32 CO 0.07 -0.22 0.00 -0.67 0.23 0.00 0.00 176.35 175.76 2h3k n ASP 33 N 5.04 0.00 -0.86 2.29 2.03 -1.20 -0.88 116.55 122.98 2h3k n ASP 33 Ca -0.09 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.26 2h3k n ASP 33 Cb 0.50 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.05 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 2.21 -0.61 -0.67 4.81 -1.26 -3.70 118.16 118.94 2h3k n LYS 34 Ca 0.00 -1.17 0.03 0.00 -0.87 0.00 0.00 58.31 56.30 2h3k n LYS 34 Cb 0.00 -1.58 0.05 0.00 0.02 0.00 0.00 35.03 33.52 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 0.29 0.79 -1.91 3.14 3.02 -1.26 -4.97 115.26 114.37 2h3k n ASN 35 Ca 0.11 -2.36 -0.13 0.00 -0.03 0.00 0.00 54.58 52.17 2h3k n ASN 35 Cb 0.48 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h3k n ASN 36 N -0.28 -3.68 -4.67 6.41 4.13 -1.24 -4.92 115.26 111.01 2h3k n ASN 36 Ca 0.06 0.25 -0.35 0.00 1.68 0.00 0.00 54.58 56.22 2h3k n ASN 36 Cb 0.77 -3.28 -0.09 0.00 -1.54 0.00 0.00 39.78 35.64 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2h3k s GLU 37 N -4.06 3.50 -0.29 3.52 2.12 -1.26 -4.91 118.70 117.31 2h3k s GLU 37 Ca 0.00 -0.36 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 2h3k s GLU 37 Cb 0.00 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 2h3k s GLU 37 CO 0.00 0.50 0.19 0.99 -0.54 0.00 0.00 175.26 176.39 2h3k s THR 38 N -0.28 5.15 0.00 -1.70 2.01 -1.26 -3.27 115.64 116.29 2h3k s THR 38 Ca 0.07 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2h3k s THR 38 Cb -0.12 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.88 2h3k s THR 38 CO 0.02 0.18 0.00 0.00 -0.69 0.00 0.00 174.62 174.13 2h3k n GLN 39 N 5.05 -1.34 -0.48 4.92 10.64 -1.26 -4.92 117.38 129.98 2h3k n GLN 39 Ca -0.14 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.75 2h3k n GLN 39 Cb 0.51 0.00 0.26 0.00 -0.86 0.00 0.00 30.24 30.15 2h3k n GLN 39 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2h3k s TYR 40 N -0.82 1.27 -2.19 2.61 2.02 -1.26 -4.93 117.35 114.04 2h3k s TYR 40 Ca 0.00 1.23 0.20 0.00 -0.37 0.00 0.00 57.07 58.13 2h3k s TYR 40 Cb 0.00 -3.10 0.34 0.00 -0.40 0.00 0.00 41.96 38.81 2h3k s TYR 40 CO 0.00 -3.96 1.30 2.48 -1.57 0.00 0.00 175.55 173.80 2h3k n TYR 41 N -4.99 0.38 -2.98 2.71 4.11 -1.26 -4.54 117.16 110.59 2h3k n TYR 41 Ca 0.03 -0.22 -0.16 0.00 -0.00 0.00 0.00 57.90 57.55 2h3k n TYR 41 Cb 0.54 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.86 2h3k n TYR 41 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 2h3k n HIS 42 N 1.26 0.82 0.00 -3.48 -0.00 -1.26 -5.01 115.22 107.55 2h3k n HIS 42 Ca 0.16 -3.48 0.00 0.00 0.46 0.00 0.00 57.72 54.86 2h3k n HIS 42 Cb 0.54 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 30.01 2h3k n HIS 42 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2h3k n PHE 43 N 0.12 -0.06 -0.33 1.57 7.35 -1.26 -4.95 117.46 119.89 2h3k n PHE 43 Ca 0.21 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.91 2h3k n PHE 43 Cb 0.70 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.55 2h3k n PHE 43 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2h3k n PHE 44 N -0.06 0.00 0.00 -5.13 3.72 -1.26 -4.91 117.46 109.82 2h3k n PHE 44 Ca 0.00 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 2h3k n PHE 44 Cb 0.00 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 2h3k n PHE 44 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2h3k n SER 45 N -0.59 0.00 -4.73 4.37 7.64 -1.26 -3.72 113.62 115.33 2h3k n SER 45 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.62 2h3k n SER 45 Cb 0.35 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 1.99 0.00 0.44 1.09 -1.26 -0.98 121.20 122.48 2h3k s ILE 46 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 2h3k s ILE 46 Cb 0.00 -2.72 0.00 0.00 -1.06 0.00 0.00 42.46 38.68 2h3k s ILE 46 CO 0.00 0.00 0.00 1.17 -0.10 0.00 0.00 174.94 176.01 2h3k n LYS 47 N -3.84 0.00 -3.15 2.79 4.81 -1.25 -4.64 118.16 112.88 2h3k n LYS 47 Ca 0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.28 2h3k n LYS 47 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 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 -1.27 5.97 0.21 3.14 1.01 -1.26 -5.05 116.67 119.41 2h3k s ASP 48 Ca 0.00 0.27 -0.30 0.00 0.71 0.00 0.00 52.55 53.23 2h3k s ASP 48 Cb 0.00 -1.62 -0.08 0.00 1.01 0.00 0.00 42.92 42.22 2h3k s ASP 48 CO 0.00 -0.56 1.19 -2.16 0.21 0.00 0.00 175.17 173.85 2h3k s PRO 49 N -4.44 4.50 -0.06 8.23 0.04 -1.26 -4.76 135.00 137.25 2h3k s PRO 49 Ca 0.46 1.89 -0.37 0.00 0.04 0.00 0.00 61.00 63.02 2h3k s PRO 49 Cb -0.10 -3.22 -0.15 0.00 0.04 0.00 0.00 34.50 31.07 2h3k s PRO 49 CO 0.37 -0.05 1.62 0.00 0.04 0.00 0.00 177.00 178.98 2h3k n ALA 50 N 2.19 0.04 -2.62 8.56 0.00 0.38 -4.27 120.51 124.78 2h3k n ALA 50 Ca 0.03 0.42 -0.25 0.00 0.00 0.00 0.00 53.44 53.64 2h3k n ALA 50 Cb 0.44 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 2h3k n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3k s ASP 51 N 2.29 6.33 -0.03 0.00 1.01 0.40 0.16 116.67 126.84 2h3k s ASP 51 Ca 0.90 0.52 0.08 0.00 0.71 0.00 0.00 52.55 54.75 2h3k s ASP 51 Cb -0.90 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 40.95 2h3k s ASP 51 CO 0.53 -0.27 -0.25 -0.69 0.21 0.00 0.00 175.17 174.69 2h3k s VAL 52 N -2.26 2.08 -0.60 -1.27 1.01 -0.99 0.14 120.40 118.50 2h3k s VAL 52 Ca 0.41 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2h3k s VAL 52 Cb -0.10 -1.72 0.15 0.00 0.00 0.00 0.00 36.38 34.71 2h3k s VAL 52 CO 0.35 0.58 0.37 -0.31 0.00 0.00 0.00 175.10 176.09 2h3k s TYR 53 N -0.53 3.33 -0.73 5.22 1.51 0.42 -0.09 117.35 126.48 2h3k s TYR 53 Ca 0.07 -3.24 -0.26 0.00 -1.01 0.00 0.00 57.07 52.64 2h3k s TYR 53 Cb -0.11 -2.74 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 2h3k s TYR 53 CO -0.00 -0.65 1.96 0.71 -1.11 0.00 0.00 175.55 176.46 2h3k s TYR 54 N -0.82 1.65 0.00 2.71 2.02 -1.26 -1.83 117.35 119.81 2h3k s TYR 54 Ca 0.21 0.85 0.00 0.00 -0.37 0.00 0.00 57.07 57.75 2h3k s TYR 54 Cb -0.16 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 2h3k s TYR 54 CO -0.08 -2.06 0.00 0.25 -1.57 0.00 0.00 175.55 172.09 2h3k n THR 55 N 7.61 0.00 -0.42 -0.71 -2.24 -1.15 -4.71 114.28 112.66 2h3k n THR 55 Ca 0.31 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.06 2h3k n THR 55 Cb 0.50 -1.44 0.23 0.00 -2.10 0.00 0.00 70.33 67.52 2h3k n THR 55 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2h3k n LYS 56 N 0.00 3.10 0.18 -0.78 0.00 -1.26 -4.52 118.16 114.88 2h3k n LYS 56 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 58.31 56.12 2h3k n LYS 56 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.06 2h3k n LYS 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2h3k n LYS 57 N 0.05 0.00 -4.04 1.64 5.02 -1.26 -5.06 118.16 114.51 2h3k n LYS 57 Ca 0.28 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.49 2h3k n LYS 57 Cb 1.07 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.98 2h3k n LYS 57 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h3k s LYS 58 N -1.99 0.57 0.67 1.97 -0.14 -1.26 -4.78 119.74 114.76 2h3k s LYS 58 Ca 0.00 -1.04 -0.15 0.00 -1.36 0.00 0.00 55.97 53.42 2h3k s LYS 58 Cb 0.00 0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.35 2h3k s LYS 58 CO 0.00 -0.11 1.12 0.00 -0.76 0.00 0.00 175.35 175.60 2h3k s ALA 59 N -3.32 2.44 -0.26 5.17 0.00 -1.26 -2.96 121.76 121.56 2h3k s ALA 59 Ca 0.01 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 2h3k s ALA 59 Cb 0.04 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.91 2h3k s ALA 59 CO -0.08 -1.33 0.11 -1.21 0.00 0.00 0.00 175.76 173.25 2h3k s GLU 60 N -4.07 0.31 0.60 0.00 2.02 -0.76 -3.15 118.70 113.66 2h3k s GLU 60 Ca 0.68 -0.53 -0.15 0.00 0.02 0.00 0.00 54.97 54.99 2h3k s GLU 60 Cb -0.21 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.44 2h3k s GLU 60 CO 0.42 -0.90 1.05 0.08 0.02 0.00 0.00 175.26 175.92 2h3k s VAL 61 N 1.99 3.96 -0.02 2.63 1.01 -0.61 0.16 120.40 129.52 2h3k s VAL 61 Ca 0.07 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.87 2h3k s VAL 61 Cb -0.16 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2h3k s VAL 61 CO -0.26 -0.61 0.09 -0.70 0.00 0.00 0.00 175.10 173.61 2h3k s GLU 62 N -4.29 0.23 0.08 2.72 2.12 0.37 -2.55 118.70 117.37 2h3k s GLU 62 Ca 0.62 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.89 2h3k s GLU 62 Cb -0.15 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.31 2h3k s GLU 62 CO 0.40 -0.04 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.46 2h3k s LEU 63 N -0.49 2.33 -0.32 2.70 1.43 -1.15 -0.45 118.68 122.74 2h3k s LEU 63 Ca -0.06 -0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 2h3k s LEU 63 Cb -0.04 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.87 2h3k s LEU 63 CO 0.00 -0.19 0.09 -1.81 0.23 0.00 0.00 176.35 174.68 2h3k s ASP 64 N -2.02 5.22 0.16 2.29 1.01 -1.26 -3.11 116.67 118.96 2h3k s ASP 64 Ca -0.01 -0.93 -0.02 0.00 0.71 0.00 0.00 52.55 52.30 2h3k s ASP 64 Cb -0.07 -1.88 -0.05 0.00 1.01 0.00 0.00 42.92 41.94 2h3k s ASP 64 CO 0.01 -0.26 0.36 -0.63 0.21 0.00 0.00 175.17 174.86 2h3k s ILE 65 N 1.45 5.21 -0.04 0.77 1.09 0.21 -3.90 121.20 126.00 2h3k s ILE 65 Ca 0.01 -0.19 0.05 0.00 -1.10 0.00 0.00 60.65 59.41 2h3k s ILE 65 Cb -0.18 -3.67 -0.07 0.00 -1.06 0.00 0.00 42.46 37.47 2h3k s ILE 65 CO 0.03 -0.04 0.05 -3.20 -0.10 0.00 0.00 174.94 171.68 2h3k n ASN 66 N -0.21 3.70 -3.08 3.58 5.15 -0.15 0.39 115.26 124.64 2h3k n ASN 66 Ca -0.04 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.57 2h3k n ASN 66 Cb 0.52 0.84 0.02 0.00 -0.53 0.00 0.00 39.78 40.64 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 -2.02 4.15 0.18 -0.44 -2.24 -1.24 -4.12 114.28 108.54 2h3k n THR 67 Ca -0.06 -4.96 0.17 0.00 -2.27 0.00 0.00 64.05 56.93 2h3k n THR 67 Cb 0.49 -1.35 0.79 0.00 -2.10 0.00 0.00 70.33 68.16 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 3.30 1.94 0.00 6.98 0.00 -1.82 0.15 119.26 129.81 2h3k h ALA 68 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2h3k h ALA 68 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2h3k h ALA 68 CO 1.25 -0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.83 2h3k h SER 69 N 0.00 0.00 0.22 0.00 4.64 -1.85 -2.97 113.55 113.59 2h3k h SER 69 Ca 0.11 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.09 2h3k h SER 69 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 2h3k h SER 69 CO -0.00 0.00 -2.04 0.35 -0.87 0.00 0.00 176.83 174.27 2h3k n THR 70 N -2.80 1.58 -2.06 2.95 -2.24 0.51 -4.91 114.28 107.31 2h3k n THR 70 Ca 0.01 -0.75 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 2h3k n THR 70 Cb 0.25 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 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 -2.55 2.97 0.00 4.78 0.52 -1.10 -3.09 118.94 120.47 2h3k s TRP 71 Ca -0.14 1.36 0.00 0.00 0.02 0.00 0.00 56.10 57.34 2h3k s TRP 71 Cb 0.07 -3.74 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 2h3k s TRP 71 CO 0.78 -2.08 0.00 1.17 0.02 0.00 0.00 176.95 176.85 2h3k n LYS 72 N 0.79 0.00 -4.47 4.98 0.00 -1.13 -3.33 118.16 114.99 2h3k n LYS 72 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.09 2h3k n LYS 72 Cb 0.41 -0.39 -0.10 0.00 0.00 0.00 0.00 35.03 34.95 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 -2.00 1.74 -0.30 1.64 -0.14 -1.26 -2.74 119.74 116.67 2h3k s LYS 73 Ca 0.00 -2.00 -0.17 0.00 -1.36 0.00 0.00 55.97 52.44 2h3k s LYS 73 Cb 0.00 -0.78 0.18 0.00 -1.68 0.00 0.00 37.83 35.55 2h3k s LYS 73 CO 0.00 -0.28 1.17 0.12 -0.76 0.00 0.00 175.35 175.60 2h3k s PHE 74 N -3.29 -0.27 -0.34 3.18 5.36 -1.20 -4.02 117.98 117.41 2h3k s PHE 74 Ca 0.32 0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 2h3k s PHE 74 Cb 0.07 0.12 0.13 0.00 -0.34 0.00 0.00 43.02 43.00 2h3k s PHE 74 CO 0.15 -0.14 0.20 -1.21 -1.46 0.00 0.00 175.22 172.75 2h3k s GLU 75 N 2.64 0.45 0.38 10.12 2.02 -0.20 -4.47 118.70 129.65 2h3k s GLU 75 Ca -0.04 -1.10 -0.28 0.00 0.02 0.00 0.00 54.97 53.58 2h3k s GLU 75 Cb -0.06 -1.24 -0.10 0.00 0.10 0.00 0.00 34.13 32.83 2h3k s GLU 75 CO -0.12 -1.16 1.44 0.08 0.02 0.00 0.00 175.26 175.52 2h3k s VAL 76 N 1.35 2.18 -0.11 2.63 1.01 -1.23 -3.32 120.40 122.91 2h3k s VAL 76 Ca 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 2h3k s VAL 76 Cb -0.21 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.09 2h3k s VAL 76 CO -0.09 0.04 -0.05 -0.47 0.00 0.00 0.00 175.10 174.53 2h3k s TYR 77 N -1.15 1.23 0.02 5.22 5.04 -0.23 -0.09 117.35 127.39 2h3k s TYR 77 Ca 0.54 -0.59 -0.12 0.00 -2.44 0.00 0.00 57.07 54.46 2h3k s TYR 77 Cb -0.45 -1.10 0.01 0.00 0.35 0.00 0.00 41.96 40.78 2h3k s TYR 77 CO 0.60 -0.47 0.25 -1.83 -1.34 0.00 0.00 175.55 172.76 2h3k s GLU 78 N 1.79 0.68 -1.51 4.97 4.04 -0.99 -1.29 118.70 126.40 2h3k s GLU 78 Ca 0.04 -0.41 -0.13 0.00 0.04 0.00 0.00 54.97 54.52 2h3k s GLU 78 Cb -0.13 0.29 0.09 0.00 0.02 0.00 0.00 34.13 34.40 2h3k s GLU 78 CO -0.07 -0.20 0.84 0.09 -1.84 0.00 0.00 175.26 174.08 2h3k n ASN 79 N 0.98 -4.56 -3.38 0.83 4.13 -1.26 -2.12 115.26 109.88 2h3k n ASN 79 Ca -0.20 -0.69 -0.20 0.00 1.68 0.00 0.00 54.58 55.17 2h3k n ASN 79 Cb 0.57 -3.67 0.06 0.00 -1.54 0.00 0.00 39.78 35.20 2h3k n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2h3k n ASN 80 N -2.68 -6.28 -3.24 6.41 3.02 -1.26 -5.00 115.26 106.23 2h3k n ASN 80 Ca 0.03 -0.78 0.04 0.00 -0.03 0.00 0.00 54.58 53.83 2h3k n ASN 80 Cb 0.53 -4.59 -0.03 0.00 -0.61 0.00 0.00 39.78 35.08 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2h3k s GLN 81 N -4.83 0.16 -0.52 3.52 0.74 -0.90 -5.11 119.66 112.72 2h3k s GLN 81 Ca 0.44 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.92 2h3k s GLN 81 Cb -0.09 0.21 0.03 0.00 1.10 0.00 0.00 33.01 34.26 2h3k s GLN 81 CO 0.78 -0.10 1.22 0.21 -0.55 0.00 0.00 175.29 176.85 2h3k s LYS 82 N 2.52 3.58 0.01 1.67 2.47 -1.26 -2.34 119.74 126.38 2h3k s LYS 82 Ca -0.02 0.48 -0.30 0.00 -1.56 0.00 0.00 55.97 54.57 2h3k s LYS 82 Cb -0.06 -3.99 -0.04 0.00 -1.46 0.00 0.00 37.83 32.29 2h3k s LYS 82 CO -0.14 -1.58 1.08 -0.51 0.16 0.00 0.00 175.35 174.36 2h3k s LEU 83 N 4.94 4.35 -0.10 5.43 1.43 0.86 -4.94 118.68 130.66 2h3k s LEU 83 Ca 0.48 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 2h3k s LEU 83 Cb -0.08 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 2h3k s LEU 83 CO 0.29 -0.38 1.32 -2.16 0.23 0.00 0.00 176.35 175.65 2h3k s PRO 84 N 1.22 4.26 0.55 1.29 0.04 -1.26 -3.56 135.00 137.54 2h3k s PRO 84 Ca 0.54 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 2h3k s PRO 84 Cb -0.24 -3.71 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 2h3k s PRO 84 CO 0.27 -0.64 1.05 0.54 0.04 0.00 0.00 177.00 178.26 2h3k s VAL 85 N 3.08 3.84 -0.02 -0.36 0.11 -1.26 -4.80 120.40 120.99 2h3k s VAL 85 Ca 0.59 0.96 0.02 0.00 -2.93 0.00 0.00 61.98 60.62 2h3k s VAL 85 Cb -0.26 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2h3k s VAL 85 CO 0.20 -0.43 -0.06 -0.60 -3.33 0.00 0.00 175.10 170.89 2h3k s ARG 86 N -3.79 0.64 -0.25 1.54 3.00 -0.63 -4.86 118.95 114.60 2h3k s ARG 86 Ca 0.65 -0.19 -0.17 0.00 -1.00 0.00 0.00 55.73 55.01 2h3k s ARG 86 Cb -0.16 -0.63 -0.03 0.00 0.00 0.00 0.00 34.95 34.13 2h3k s ARG 86 CO 0.31 0.07 0.47 -0.51 0.00 0.00 0.00 175.30 175.64 2h3k s LEU 87 N 0.21 4.08 0.14 -0.88 1.02 -1.26 0.78 118.68 122.77 2h3k s LEU 87 Ca -0.02 0.50 0.20 0.00 0.02 0.00 0.00 54.13 54.82 2h3k s LEU 87 Cb -0.07 -2.61 -0.06 0.00 0.02 0.00 0.00 46.19 43.47 2h3k s LEU 87 CO -0.00 -0.22 0.95 -0.37 0.02 0.00 0.00 176.35 176.72 2h3k h VAL 88 N 5.31 0.26 -2.03 -1.59 -1.51 -1.83 -3.48 116.25 111.38 2h3k h VAL 88 Ca -0.31 -1.51 0.16 0.00 -1.23 0.00 0.00 66.70 63.81 2h3k h VAL 88 Cb 1.15 1.78 -0.16 0.00 -2.13 0.00 0.00 31.29 31.93 2h3k h VAL 88 CO 0.71 0.15 0.60 -0.55 -1.23 0.00 0.00 177.57 177.24 2h3k s SER 89 N -5.60 -0.28 -0.16 4.19 0.15 -1.26 -4.74 113.70 106.01 2h3k s SER 89 Ca -0.02 -0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.55 2h3k s SER 89 Cb 0.09 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 2h3k s SER 89 CO 0.80 -0.51 0.36 -0.47 1.20 0.00 0.00 173.24 174.62 2h3k s TYR 90 N -2.90 -0.57 0.52 3.44 5.04 0.54 -1.56 117.35 121.87 2h3k s TYR 90 Ca 0.07 1.19 -0.19 0.00 -2.44 0.00 0.00 57.07 55.71 2h3k s TYR 90 Cb -0.01 0.19 -0.07 0.00 0.35 0.00 0.00 41.96 42.42 2h3k s TYR 90 CO -0.07 -0.35 1.04 0.45 -1.34 0.00 0.00 175.55 175.28 2h3k s SER 91 N 1.78 6.15 0.90 4.32 0.15 0.36 -2.57 113.70 124.79 2h3k s SER 91 Ca -0.06 1.88 -0.11 0.00 0.70 0.00 0.00 55.95 58.36 2h3k s SER 91 Cb -0.10 -2.55 0.13 0.00 -1.71 0.00 0.00 66.02 61.79 2h3k s SER 91 CO -0.11 -0.91 1.09 -2.16 1.20 0.00 0.00 173.24 172.35 2h3k s PRO 92 N -3.54 1.19 0.13 5.44 0.04 -1.26 -3.95 135.00 133.05 2h3k s PRO 92 Ca 0.66 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2h3k s PRO 92 Cb -0.16 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.71 2h3k s PRO 92 CO 0.26 -2.30 0.91 0.28 0.04 0.00 0.00 177.00 176.20 2h3k n VAL 93 N -3.93 -0.32 -0.18 -0.36 0.31 -1.26 0.10 118.33 112.70 2h3k n VAL 93 Ca 0.07 1.38 0.08 0.00 -0.01 0.00 0.00 64.34 65.86 2h3k n VAL 93 Cb 0.55 -1.82 0.38 0.00 -0.91 0.00 0.00 33.84 32.04 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 0.67 0.14 5.55 0.13 -2.03 -2.58 132.00 133.88 2h3k h PRO 94 Ca 0.19 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.95 2h3k h PRO 94 Cb 0.34 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 2h3k h PRO 94 CO -0.58 0.45 -1.73 0.93 -0.23 0.00 0.00 178.00 176.84 2h3k h GLU 95 N 0.69 0.29 -0.62 0.86 4.39 0.39 -3.47 114.58 117.11 2h3k h GLU 95 Ca 0.32 -0.49 -0.22 0.00 0.34 0.00 0.00 59.36 59.31 2h3k h GLU 95 Cb 0.35 0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 2h3k h GLU 95 CO -0.11 1.23 -0.20 -3.47 -1.16 0.00 0.00 179.01 175.30 2h3k n ASP 96 N -3.69 -5.19 -4.67 1.42 2.03 0.23 -4.93 116.55 101.75 2h3k n ASP 96 Ca -0.28 0.27 -0.40 0.00 0.52 0.00 0.00 54.79 54.90 2h3k n ASP 96 Cb 1.00 -3.93 -0.06 0.00 -0.72 0.00 0.00 41.12 37.42 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 -1.88 3.42 0.29 -0.67 3.76 -1.26 -3.13 115.29 115.82 2h3k s HIS 97 Ca 0.00 0.98 0.09 0.00 -0.15 0.00 0.00 55.06 55.98 2h3k s HIS 97 Cb 0.00 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 2h3k s HIS 97 CO 0.00 -0.11 0.08 0.00 -0.85 0.00 0.00 174.74 173.86 2h3k s ALA 98 N 1.64 3.35 -0.01 -1.40 0.00 0.16 0.13 121.76 125.64 2h3k s ALA 98 Ca 0.30 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2h3k s ALA 98 Cb -0.16 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.13 2h3k s ALA 98 CO 0.11 0.18 -0.04 0.71 0.00 0.00 0.00 175.76 176.73 2h3k s TYR 99 N -2.33 0.42 0.25 0.00 2.02 -0.60 -0.62 117.35 116.49 2h3k s TYR 99 Ca 0.34 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 2h3k s TYR 99 Cb -0.05 -0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2h3k s TYR 99 CO 0.22 -0.05 0.07 0.96 -1.57 0.00 0.00 175.55 175.17 2h3k s ILE 100 N 0.23 0.69 -0.25 2.71 -5.25 -1.18 -2.79 121.20 115.36 2h3k s ILE 100 Ca -0.02 -2.00 -0.23 0.00 -0.99 0.00 0.00 60.65 57.41 2h3k s ILE 100 Cb -0.06 -2.54 0.06 0.00 2.95 0.00 0.00 42.46 42.88 2h3k s ILE 100 CO -0.00 -0.11 0.66 -0.13 -1.79 0.00 0.00 174.94 173.57 2h3k s ARG 101 N -3.98 0.77 0.00 0.37 0.52 0.23 -2.91 118.95 113.95 2h3k s ARG 101 Ca 0.35 0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 56.42 2h3k s ARG 101 Cb 0.07 0.37 -0.00 0.00 0.52 0.00 0.00 34.95 35.92 2h3k s ARG 101 CO 0.12 -0.09 0.11 -0.59 0.02 0.00 0.00 175.30 174.87 2h3k s PHE 102 N 0.36 0.07 0.56 -0.53 -0.71 -1.06 -1.61 117.98 115.06 2h3k s PHE 102 Ca -0.00 -0.17 -0.18 0.00 -1.04 0.00 0.00 56.93 55.54 2h3k s PHE 102 Cb -0.05 -0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 2h3k s PHE 102 CO 0.01 -0.26 1.08 -1.25 -1.34 0.00 0.00 175.22 173.46 2h3k s PRO 103 N -1.31 3.39 -0.35 1.99 0.04 -1.26 -1.58 135.00 135.92 2h3k s PRO 103 Ca -0.14 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.31 2h3k s PRO 103 Cb -0.08 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.58 2h3k s PRO 103 CO 0.01 -0.78 0.28 0.14 0.04 0.00 0.00 177.00 176.70 2h3k s VAL 104 N -2.10 -0.13 0.59 -0.36 -7.23 -1.19 -4.89 120.40 105.09 2h3k s VAL 104 Ca 0.68 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 2h3k s VAL 104 Cb -0.19 -0.91 0.06 0.00 0.56 0.00 0.00 36.38 35.90 2h3k s VAL 104 CO 0.30 -0.75 0.82 -0.55 -0.31 0.00 0.00 175.10 174.61 2h3k s SER 105 N 1.45 5.04 -1.65 4.85 0.15 -1.26 -4.36 113.70 117.91 2h3k s SER 105 Ca 0.16 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2h3k s SER 105 Cb -0.18 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2h3k s SER 105 CO -0.08 -1.33 0.00 -0.67 1.20 0.00 0.00 173.24 172.36 2h3k n ASP 106 N -2.43 -5.00 -2.05 5.45 -0.08 -1.26 -1.94 116.55 109.24 2h3k n ASP 106 Ca 0.11 0.25 -0.19 0.00 -1.51 0.00 0.00 54.79 53.46 2h3k n ASP 106 Cb 0.60 -4.03 -0.02 0.00 2.34 0.00 0.00 41.12 40.02 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 -0.95 -0.17 3.07 0.27 0.00 -1.10 -4.79 105.19 101.52 2h3k n GLY 107 Ca -0.18 -0.11 -0.57 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.86 0.00 0.11 2.61 -1.04 -0.82 -3.08 114.28 108.21 2h3k n THR 108 Ca -0.22 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.82 2h3k n THR 108 Cb 0.66 -0.46 0.05 0.00 -1.82 0.00 0.00 70.33 68.76 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 6.59 1.13 -3.67 -2.82 7.27 -1.26 -3.36 117.38 121.27 2h3k n GLN 109 Ca 0.49 -1.25 -0.08 0.00 0.07 0.00 0.00 57.00 56.23 2h3k n GLN 109 Cb -0.04 -1.13 -0.09 0.00 2.41 0.00 0.00 30.24 31.40 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 -0.71 0.46 0.05 3.69 -1.05 -1.26 0.80 118.70 120.68 2h3k s GLU 110 Ca 0.09 1.06 0.00 0.00 -0.15 0.00 0.00 54.97 55.98 2h3k s GLU 110 Cb 0.06 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 2h3k s GLU 110 CO 0.08 -0.19 -0.04 -0.48 0.95 0.00 0.00 175.26 175.57 2h3k s LEU 111 N 2.08 2.40 -0.45 1.83 2.34 -1.02 -4.80 118.68 121.05 2h3k s LEU 111 Ca -0.06 -0.81 -0.13 0.00 0.06 0.00 0.00 54.13 53.19 2h3k s LEU 111 Cb -0.09 0.08 0.08 0.00 -0.56 0.00 0.00 46.19 45.69 2h3k s LEU 111 CO -0.15 -0.45 0.34 -0.54 -1.06 0.00 0.00 176.35 174.50 2h3k s LYS 112 N -2.95 2.82 0.18 1.48 3.01 -0.41 -1.48 119.74 122.40 2h3k s LYS 112 Ca -0.00 -1.42 -0.30 0.00 -1.01 0.00 0.00 55.97 53.24 2h3k s LYS 112 Cb 0.00 -3.99 -0.08 0.00 -1.01 0.00 0.00 37.83 32.76 2h3k s LYS 112 CO -0.05 -1.01 1.04 0.42 0.51 0.00 0.00 175.35 176.25 2h3k s ILE 113 N 1.55 4.02 -0.21 2.17 1.01 -0.46 -1.06 121.20 128.22 2h3k s ILE 113 Ca 0.04 1.81 0.01 0.00 0.00 0.00 0.00 60.65 62.50 2h3k s ILE 113 Cb -0.24 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.12 2h3k s ILE 113 CO 0.04 0.34 -0.12 -0.69 0.00 0.00 0.00 174.94 174.52 2h3k s VAL 114 N -0.45 1.77 0.38 2.92 1.01 -1.21 -2.61 120.40 122.20 2h3k s VAL 114 Ca 0.47 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2h3k s VAL 114 Cb -0.27 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.34 2h3k s VAL 114 CO 0.34 0.18 0.78 -0.55 0.00 0.00 0.00 175.10 175.85 2h3k s SER 115 N 1.34 -0.01 -0.10 3.32 0.15 -1.21 -1.03 113.70 116.15 2h3k s SER 115 Ca -0.02 -1.10 -0.04 0.00 0.70 0.00 0.00 55.95 55.49 2h3k s SER 115 Cb -0.16 0.84 0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2h3k s SER 115 CO -0.08 -1.66 0.20 -0.55 1.20 0.00 0.00 173.24 172.35 2h3k s SER 116 N -3.06 0.55 0.15 5.45 0.15 -1.26 -1.24 113.70 114.46 2h3k s SER 116 Ca 0.15 0.43 0.11 0.00 0.70 0.00 0.00 55.95 57.34 2h3k s SER 116 Cb -0.05 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 2h3k s SER 116 CO 0.11 -0.24 -0.22 0.42 1.20 0.00 0.00 173.24 174.51 2h3k s THR 117 N 2.28 2.50 -0.02 6.45 -4.23 0.06 -2.84 115.64 119.85 2h3k s THR 117 Ca 0.02 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2h3k s THR 117 Cb -0.12 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 71.58 2h3k s THR 117 CO -0.07 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.03 2h3k s GLN 118 N -2.36 -0.01 -0.18 3.99 -2.07 -1.18 -1.30 119.66 116.54 2h3k s GLN 118 Ca 0.18 0.13 0.16 0.00 -1.82 0.00 0.00 55.36 54.01 2h3k s GLN 118 Cb -0.09 -0.20 0.46 0.00 -1.09 0.00 0.00 33.01 32.09 2h3k s GLN 118 CO 0.09 -0.12 1.36 -0.89 -1.32 0.00 0.00 175.29 174.40 2h3k n ILE 119 N 3.89 2.23 -3.19 3.63 -0.00 -1.26 -4.65 119.36 120.01 2h3k n ILE 119 Ca -0.24 -2.13 -0.23 0.00 -0.00 0.00 0.00 62.75 60.15 2h3k n ILE 119 Cb 0.53 -0.26 0.02 0.00 -0.00 0.00 0.00 39.64 39.92 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 -0.85 -5.02 -0.06 4.38 2.03 -1.26 -4.87 116.55 110.90 2h3k n ASP 120 Ca 0.22 -0.34 -0.07 0.00 0.52 0.00 0.00 54.79 55.12 2h3k n ASP 120 Cb 0.85 -4.09 -0.02 0.00 -0.72 0.00 0.00 41.12 37.14 2h3k n ASP 120 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2h3k n ASP 121 N -2.43 1.66 0.00 1.67 9.92 -1.26 -5.11 116.55 121.00 2h3k n ASP 121 Ca -0.07 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2h3k n ASP 121 Cb 0.58 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 2h3k n ASP 121 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2h3k n GLY 122 N 1.82 3.17 3.75 0.44 0.00 -1.26 -5.11 105.19 108.00 2h3k n GLY 122 Ca -0.11 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2h3k n GLY 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h3k s GLU 123 N 2.83 4.43 0.33 1.61 -1.05 -1.26 -4.95 118.70 120.65 2h3k s GLU 123 Ca 0.00 2.03 -0.29 0.00 -0.15 0.00 0.00 54.97 56.56 2h3k s GLU 123 Cb 0.00 -3.17 -0.11 0.00 -0.44 0.00 0.00 34.13 30.41 2h3k s GLU 123 CO 0.00 -0.14 1.56 -1.91 0.95 0.00 0.00 175.26 175.72 2h3k n GLU 124 N 1.95 2.72 -2.67 -4.83 2.13 -1.26 -4.91 120.64 113.76 2h3k n GLU 124 Ca 0.03 0.96 -0.43 0.00 0.66 0.00 0.00 57.16 58.39 2h3k n GLU 124 Cb 0.43 -2.73 -0.03 0.00 0.27 0.00 0.00 31.44 29.38 2h3k n GLU 124 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2h3k s THR 125 N -0.45 4.17 -0.40 6.31 2.01 -0.42 -4.98 115.64 121.88 2h3k s THR 125 Ca 0.59 0.77 -0.05 0.00 0.31 0.00 0.00 61.69 63.31 2h3k s THR 125 Cb -0.48 -4.64 0.09 0.00 0.01 0.00 0.00 72.50 67.48 2h3k s THR 125 CO 0.55 -1.20 0.19 0.20 -0.69 0.00 0.00 174.62 173.67 2h3k s ASN 126 N 2.81 5.34 -1.28 3.53 -0.87 -1.26 -0.76 114.94 122.44 2h3k s ASN 126 Ca 0.40 -1.73 -0.19 0.00 -1.57 0.00 0.00 52.86 49.77 2h3k s ASN 126 Cb -0.09 -1.87 0.04 0.00 -0.02 0.00 0.00 41.25 39.31 2h3k s ASN 126 CO 0.25 -0.50 1.79 -1.22 -2.57 0.00 0.00 177.10 174.84 2h3k n TYR 127 N 4.72 4.29 0.29 2.20 4.01 -0.37 -4.74 117.16 127.55 2h3k n TYR 127 Ca -0.07 -2.61 0.15 0.00 -0.16 0.00 0.00 57.90 55.21 2h3k n TYR 127 Cb 0.42 -2.63 0.88 0.00 -0.31 0.00 0.00 39.34 37.70 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 7.88 0.00 -0.97 7.72 3.58 -1.88 -3.19 116.42 129.55 2h3k h ASP 128 Ca 0.42 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.96 2h3k h ASP 128 Cb 0.87 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.71 2h3k h ASP 128 CO 1.44 0.03 -0.26 -0.47 -2.88 0.00 0.00 179.24 177.10 2h3k s TYR 129 N -4.52 -1.57 -0.29 0.28 5.04 -1.26 -4.88 117.35 110.16 2h3k s TYR 129 Ca -0.04 1.66 0.02 0.00 -2.44 0.00 0.00 57.07 56.27 2h3k s TYR 129 Cb 0.15 0.55 0.06 0.00 0.35 0.00 0.00 41.96 43.07 2h3k s TYR 129 CO 0.55 -0.86 -0.05 0.99 -1.34 0.00 0.00 175.55 174.85 2h3k s THR 130 N 2.86 2.44 -0.77 4.34 2.01 -1.07 -4.46 115.64 121.00 2h3k s THR 130 Ca 0.20 -1.69 -0.25 0.00 0.31 0.00 0.00 61.69 60.26 2h3k s THR 130 Cb -0.15 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.92 2h3k s THR 130 CO -0.21 -0.15 1.23 -0.75 -0.69 0.00 0.00 174.62 174.05 2h3k s LYS 131 N 1.11 3.24 -0.52 4.92 2.20 -0.06 -1.36 119.74 129.29 2h3k s LYS 131 Ca -0.05 -0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 54.87 2h3k s LYS 131 Cb -0.20 -4.38 0.11 0.00 -1.51 0.00 0.00 37.83 31.86 2h3k s LYS 131 CO -0.04 -2.08 0.46 -1.17 -0.36 0.00 0.00 175.35 172.16 2h3k s LEU 132 N 5.18 5.99 -0.41 5.43 0.20 -0.55 -1.73 118.68 132.79 2h3k s LEU 132 Ca 0.34 -1.66 -0.22 0.00 0.69 0.00 0.00 54.13 53.28 2h3k s LEU 132 Cb -0.09 -2.19 0.02 0.00 -0.43 0.00 0.00 46.19 43.50 2h3k s LEU 132 CO 0.10 -0.79 0.72 -0.69 -0.29 0.00 0.00 176.35 175.40 2h3k s VAL 133 N 1.60 4.75 1.05 1.68 1.01 -0.53 -2.43 120.40 127.52 2h3k s VAL 133 Ca 0.03 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 2h3k s VAL 133 Cb -0.28 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 31.96 2h3k s VAL 133 CO 0.04 -0.56 0.29 0.49 0.00 0.00 0.00 175.10 175.36 2h3k n PHE 134 N 6.43 -1.34 0.15 5.22 3.72 0.24 0.12 117.46 132.00 2h3k n PHE 134 Ca 0.01 0.17 0.03 0.00 -0.05 0.00 0.00 57.45 57.60 2h3k n PHE 134 Cb 0.48 -1.68 0.16 0.00 -0.94 0.00 0.00 39.48 37.50 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 -1.89 0.80 -2.64 4.37 0.00 -1.04 -3.42 119.26 115.44 2h3k h ALA 135 Ca -0.50 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 2h3k h ALA 135 Cb 1.32 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2h3k h ALA 135 CO 0.37 0.63 -0.27 0.15 0.00 0.00 0.00 179.25 180.13 2h3k s LYS 136 N -3.26 1.08 0.11 0.00 1.02 -1.26 -5.02 119.74 112.40 2h3k s LYS 136 Ca 0.02 -1.02 -0.31 0.00 0.02 0.00 0.00 55.97 54.68 2h3k s LYS 136 Cb 0.10 0.39 -0.07 0.00 -0.52 0.00 0.00 37.83 37.73 2h3k s LYS 136 CO 0.73 -0.39 1.26 -1.25 -0.92 0.00 0.00 175.35 174.77 2h3k s PRO 137 N -3.91 4.41 -0.57 -1.68 0.04 -1.26 -4.67 135.00 127.36 2h3k s PRO 137 Ca 0.11 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 2h3k s PRO 137 Cb 0.03 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.35 2h3k s PRO 137 CO -0.05 -0.28 0.79 0.42 0.04 0.00 0.00 177.00 177.92 2h3k s ILE 138 N 0.82 4.63 -0.18 0.56 -1.09 -1.18 -4.89 121.20 119.86 2h3k s ILE 138 Ca 0.59 -0.40 -0.07 0.00 -2.23 0.00 0.00 60.65 58.54 2h3k s ILE 138 Cb -0.33 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.03 2h3k s ILE 138 CO 0.31 -1.09 0.06 -0.31 -1.23 0.00 0.00 174.94 172.68 2h3k s TYR 139 N 3.27 3.25 1.36 3.97 2.02 -1.26 -2.71 117.35 127.24 2h3k s TYR 139 Ca 0.19 0.07 -0.20 0.00 -0.37 0.00 0.00 57.07 56.76 2h3k s TYR 139 Cb -0.18 -2.08 0.34 0.00 -0.40 0.00 0.00 41.96 39.64 2h3k s TYR 139 CO 0.12 0.15 0.85 0.27 -1.57 0.00 0.00 175.55 175.37 2h3k n ASN 140 N 3.55 -3.37 -4.07 2.29 6.94 -1.26 -4.86 115.26 114.48 2h3k n ASN 140 Ca -0.17 -0.62 -0.35 0.00 -0.02 0.00 0.00 54.58 53.43 2h3k n ASN 140 Cb 0.52 -1.06 -0.09 0.00 -2.36 0.00 0.00 39.78 36.79 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 -2.75 5.37 0.05 0.53 1.01 -1.26 -4.88 116.67 114.74 2h3k s ASP 141 Ca 0.65 -3.26 0.20 0.00 0.71 0.00 0.00 52.55 50.85 2h3k s ASP 141 Cb -0.16 -1.84 0.84 0.00 1.01 0.00 0.00 42.92 42.77 2h3k s ASP 141 CO 0.58 -0.27 1.64 -0.81 0.21 0.00 0.00 175.17 176.52 2h3k n PRO 142 N 2.92 0.04 -1.76 8.23 -0.04 -1.26 -3.31 135.00 139.82 2h3k n PRO 142 Ca 0.13 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.81 2h3k n PRO 142 Cb 0.37 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 32.32 2h3k n PRO 142 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3k n SER 143 N -1.65 1.61 0.00 3.54 7.64 -1.26 -5.15 113.62 118.35 2h3k n SER 143 Ca 0.04 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.46 2h3k n SER 143 Cb 0.24 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92