#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 4.80 0.00 0.00 -1.08 -1.26 -5.11 116.67 114.02 2h3k s ASP 2 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 2h3k s ASP 2 Cb 0.00 -0.87 0.00 0.00 -1.46 0.00 0.00 42.92 40.59 2h3k s ASP 2 CO 0.00 -1.56 0.00 1.21 0.52 0.00 0.00 175.17 175.34 2h3k n GLU 3 N -2.80 3.54 -4.48 4.34 4.07 -1.26 -5.08 120.64 118.98 2h3k n GLU 3 Ca 0.09 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.85 2h3k n GLU 3 Cb 0.60 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.87 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2h3k s SER 4 N -1.00 4.88 0.46 4.31 0.01 -1.26 -4.78 113.70 116.31 2h3k s SER 4 Ca 0.00 -0.00 0.14 0.00 1.31 0.00 0.00 55.95 57.39 2h3k s SER 4 Cb 0.00 -1.46 1.04 0.00 0.21 0.00 0.00 66.02 65.82 2h3k s SER 4 CO 0.00 0.31 2.04 0.25 0.41 0.00 0.00 173.24 176.24 2h3k h LEU 5 N 5.68 0.07 -0.24 2.44 6.46 -1.40 0.66 115.31 128.98 2h3k h LEU 5 Ca -0.44 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2h3k h LEU 5 Cb 1.18 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2h3k h LEU 5 CO 0.56 0.17 0.00 0.07 -0.62 0.00 0.00 178.44 178.62 2h3k h LYS 6 N 0.08 0.00 0.00 1.25 5.09 -1.74 -2.96 116.57 118.29 2h3k h LYS 6 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.76 2h3k h LYS 6 Cb 0.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.53 2h3k h LYS 6 CO 0.01 0.00 -1.32 -3.47 -2.09 0.00 0.00 179.45 172.58 2h3k n ASP 7 N -2.89 1.62 0.03 7.07 2.03 -0.50 -4.50 116.55 119.41 2h3k n ASP 7 Ca 0.04 -0.22 -0.03 0.00 0.52 0.00 0.00 54.79 55.10 2h3k n ASP 7 Cb 0.47 1.43 -0.09 0.00 -0.72 0.00 0.00 41.12 42.21 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2h3k h ALA 8 N 1.36 0.66 0.00 -1.67 0.00 0.22 -3.31 119.26 116.52 2h3k h ALA 8 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 2h3k h ALA 8 Cb 0.52 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2h3k h ALA 8 CO 0.00 1.08 -0.00 -0.84 0.00 0.00 0.00 179.25 179.49 2h3k h ILE 9 N 0.00 0.01 0.00 0.00 -0.00 -1.73 -3.35 117.51 112.44 2h3k h ILE 9 Ca -0.16 -0.50 -0.63 0.00 -0.00 0.00 0.00 64.86 63.57 2h3k h ILE 9 Cb 1.69 1.50 0.02 0.00 -0.00 0.00 0.00 36.82 40.02 2h3k h ILE 9 CO 0.06 0.00 2.68 0.29 -0.00 0.00 0.00 178.15 181.19 2h3k n LYS 10 N -3.10 2.10 -4.15 0.16 4.76 -1.25 -4.72 118.16 111.97 2h3k n LYS 10 Ca 0.00 -2.02 -0.16 0.00 -2.87 0.00 0.00 58.31 53.26 2h3k n LYS 10 Cb 0.30 -2.95 -0.12 0.00 -1.84 0.00 0.00 35.03 30.42 2h3k n LYS 10 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2h3k s ASP 11 N 4.09 1.25 0.47 4.39 1.11 -1.26 -5.02 116.67 121.70 2h3k s ASP 11 Ca 0.53 -0.53 0.27 0.00 0.18 0.00 0.00 52.55 52.99 2h3k s ASP 11 Cb 0.14 -0.02 0.89 0.00 1.07 0.00 0.00 42.92 44.99 2h3k s ASP 11 CO 0.03 -0.11 1.80 1.55 1.18 0.00 0.00 175.17 179.62 2h3k h PRO 12 N 4.58 0.00 0.00 8.23 0.13 -1.96 -2.90 132.00 140.07 2h3k h PRO 12 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 2h3k h PRO 12 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2h3k h PRO 12 CO 0.41 0.10 -0.75 0.00 -0.23 0.00 0.00 178.00 177.53 2h3k h ALA 13 N 1.90 0.15 -0.03 -0.56 0.00 -1.96 -3.34 119.26 115.43 2h3k h ALA 13 Ca -0.00 -0.90 0.01 0.00 0.00 0.00 0.00 54.91 54.02 2h3k h ALA 13 Cb 0.77 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2h3k h ALA 13 CO 0.01 0.43 0.03 -0.07 0.00 0.00 0.00 179.25 179.65 2h3k h LEU 14 N -1.00 0.00 -8.36 0.00 -0.00 -1.87 -3.39 115.31 100.70 2h3k h LEU 14 Ca -0.20 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.21 2h3k h LEU 14 Cb 1.12 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.75 2h3k h LEU 14 CO -0.12 0.00 1.68 1.21 -0.00 0.00 0.00 178.44 181.20 2h3k n GLU 15 N -4.19 0.61 -3.12 1.13 2.13 -1.09 0.46 120.64 116.56 2h3k n GLU 15 Ca -0.02 -0.01 -0.16 0.00 0.66 0.00 0.00 57.16 57.63 2h3k n GLU 15 Cb 0.12 -2.66 0.02 0.00 0.27 0.00 0.00 31.44 29.18 2h3k n GLU 15 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2h3k n ASN 16 N 13.76 -6.88 0.00 4.31 3.02 -0.43 -4.86 115.26 124.19 2h3k n ASN 16 Ca 0.49 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 2h3k n ASN 16 Cb 0.34 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 2h3k n ASN 16 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2h3k n LYS 17 N 0.23 3.76 -3.58 3.52 4.81 -1.20 -4.97 118.16 120.73 2h3k n LYS 17 Ca 0.01 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.16 2h3k n LYS 17 Cb 0.46 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.39 2h3k n LYS 17 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2h3k s GLU 18 N 3.00 1.06 -0.35 1.64 2.12 -1.26 -4.96 118.70 119.94 2h3k s GLU 18 Ca 0.00 -1.91 0.01 0.00 0.36 0.00 0.00 54.97 53.43 2h3k s GLU 18 Cb 0.00 -1.89 0.37 0.00 0.26 0.00 0.00 34.13 32.88 2h3k s GLU 18 CO 0.00 -1.23 1.77 -2.39 -0.54 0.00 0.00 175.26 172.87 2h3k n HIS 19 N 3.44 2.03 -3.21 5.30 1.44 -1.26 -4.53 115.22 118.42 2h3k n HIS 19 Ca 0.15 -1.76 -0.25 0.00 -2.01 0.00 0.00 57.72 53.85 2h3k n HIS 19 Cb 0.38 -0.87 -0.06 0.00 0.12 0.00 0.00 29.99 29.56 2h3k n HIS 19 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2h3k n ASP 20 N -0.36 2.58 -3.86 4.39 5.68 -1.26 -4.99 116.55 118.73 2h3k n ASP 20 Ca 0.39 -3.25 -0.29 0.00 -0.50 0.00 0.00 54.79 51.14 2h3k n ASP 20 Cb 0.99 -0.63 -0.13 0.00 -1.14 0.00 0.00 41.12 40.21 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2h3k s ILE 21 N -2.65 2.40 -3.09 2.12 1.01 -1.26 -5.03 121.20 114.69 2h3k s ILE 21 Ca 0.41 -3.55 0.00 0.00 0.00 0.00 0.00 60.65 57.51 2h3k s ILE 21 Cb 0.22 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 40.07 2h3k s ILE 21 CO -0.08 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 174.55 2h3k n GLY 22 N 2.71 0.56 3.39 6.18 0.00 -1.26 -5.09 105.19 111.68 2h3k n GLY 22 Ca 0.13 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 2h3k n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2h3k n PRO 23 N 0.00 -2.43 -3.61 1.61 -0.04 -1.26 -5.09 135.00 124.17 2h3k n PRO 23 Ca 0.00 -1.73 -0.04 0.00 -0.04 0.00 0.00 63.50 61.69 2h3k n PRO 23 Cb 0.00 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 2h3k n PRO 23 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2h3k s ARG 24 N -5.46 0.21 0.34 0.54 1.70 -1.26 -4.70 118.95 110.32 2h3k s ARG 24 Ca 0.68 -0.07 -0.10 0.00 -0.47 0.00 0.00 55.73 55.77 2h3k s ARG 24 Cb -0.05 0.10 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 2h3k s ARG 24 CO 0.51 -0.09 0.60 -1.21 -1.08 0.00 0.00 175.30 174.02 2h3k s GLU 25 N -2.21 1.96 -0.04 3.89 0.41 0.98 -4.91 118.70 118.79 2h3k s GLU 25 Ca 0.10 -1.53 0.01 0.00 -0.41 0.00 0.00 54.97 53.14 2h3k s GLU 25 Cb -0.01 0.52 0.02 0.00 -1.78 0.00 0.00 34.13 32.88 2h3k s GLU 25 CO -0.04 -0.86 -0.06 1.14 -0.49 0.00 0.00 175.26 174.95 2h3k s GLN 26 N -2.99 0.92 -0.02 1.61 -2.07 -1.26 -1.81 119.66 114.03 2h3k s GLN 26 Ca 0.23 -0.17 0.01 0.00 -1.82 0.00 0.00 55.36 53.61 2h3k s GLN 26 Cb -0.02 -0.88 0.01 0.00 -1.09 0.00 0.00 33.01 31.03 2h3k s GLN 26 CO 0.15 -0.03 -0.02 0.08 -1.32 0.00 0.00 175.29 174.15 2h3k s VAL 27 N 0.72 0.22 0.68 3.63 1.01 0.42 -4.87 120.40 122.21 2h3k s VAL 27 Ca -0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 2h3k s VAL 27 Cb -0.13 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2h3k s VAL 27 CO 0.01 0.11 1.05 0.21 0.00 0.00 0.00 175.10 176.48 2h3k s ASN 28 N 0.52 5.44 -0.00 3.32 3.84 -1.26 0.49 114.94 127.29 2h3k s ASN 28 Ca -0.05 1.00 0.03 0.00 0.21 0.00 0.00 52.86 54.05 2h3k s ASN 28 Cb -0.08 -1.83 -0.01 0.00 -0.55 0.00 0.00 41.25 38.77 2h3k s ASN 28 CO -0.01 -1.29 -0.11 0.72 -2.79 0.00 0.00 177.10 173.62 2h3k s PHE 29 N -3.27 1.00 -0.36 0.43 -0.12 -1.26 0.61 117.98 115.00 2h3k s PHE 29 Ca 0.57 -0.21 -0.14 0.00 -0.05 0.00 0.00 56.93 57.11 2h3k s PHE 29 Cb -0.11 -0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 41.64 2h3k s PHE 29 CO 0.50 -0.01 0.26 -0.65 -0.05 0.00 0.00 175.22 175.27 2h3k s GLN 30 N -0.37 3.35 -0.27 1.99 1.11 0.35 -4.90 119.66 120.92 2h3k s GLN 30 Ca 0.04 -0.75 -0.29 0.00 0.01 0.00 0.00 55.36 54.37 2h3k s GLN 30 Cb -0.05 -3.86 0.01 0.00 -1.01 0.00 0.00 33.01 28.10 2h3k s GLN 30 CO -0.00 -0.53 1.13 -0.51 0.01 0.00 0.00 175.29 175.39 2h3k s LEU 31 N 1.72 4.00 -0.17 2.90 1.43 -1.26 -2.11 118.68 125.19 2h3k s LEU 31 Ca 0.06 1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.39 2h3k s LEU 31 Cb -0.18 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.55 2h3k s LEU 31 CO 0.10 -0.84 0.02 -0.76 0.23 0.00 0.00 176.35 175.10 2h3k s LEU 32 N 3.63 1.16 0.00 1.79 1.43 -0.65 -4.18 118.68 121.86 2h3k s LEU 32 Ca 0.48 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2h3k s LEU 32 Cb -0.15 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2h3k s LEU 32 CO 0.14 -0.28 0.00 0.47 0.23 0.00 0.00 176.35 176.91 2h3k n ASP 33 N 5.04 0.00 -1.89 2.29 8.00 -1.26 -1.57 116.55 127.16 2h3k n ASP 33 Ca -0.09 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 2h3k n ASP 33 Cb 0.48 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.65 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2h3k n LYS 34 N 0.00 1.90 -0.44 -1.24 4.81 -1.26 -3.90 118.16 118.03 2h3k n LYS 34 Ca 0.00 -1.90 0.00 0.00 -0.87 0.00 0.00 58.31 55.54 2h3k n LYS 34 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.31 2h3k n LYS 34 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2h3k n ASN 35 N -0.16 0.00 -2.12 3.14 2.85 -1.26 -4.98 115.26 112.72 2h3k n ASN 35 Ca 0.37 -1.46 -0.09 0.00 -0.11 0.00 0.00 54.58 53.29 2h3k n ASN 35 Cb 0.84 -0.09 -0.01 0.00 1.24 0.00 0.00 39.78 41.76 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2h3k n ASN 36 N 0.00 -2.92 -4.14 1.20 3.02 -1.25 -4.89 115.26 106.28 2h3k n ASN 36 Ca 0.00 0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.46 2h3k n ASN 36 Cb 0.59 -2.62 -0.13 0.00 -0.61 0.00 0.00 39.78 37.02 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2h3k s GLU 37 N -4.39 2.15 0.18 3.52 2.56 -1.26 -4.99 118.70 116.47 2h3k s GLU 37 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 54.97 53.10 2h3k s GLU 37 Cb 0.00 -3.36 -0.08 0.00 2.00 0.00 0.00 34.13 32.69 2h3k s GLU 37 CO 0.00 -0.85 1.19 -0.08 -0.56 0.00 0.00 175.26 174.96 2h3k s THR 38 N 1.17 3.62 0.30 -1.70 -1.32 -1.26 -4.32 115.64 112.14 2h3k s THR 38 Ca 0.02 1.36 0.02 0.00 -1.21 0.00 0.00 61.69 61.88 2h3k s THR 38 Cb -0.21 -3.87 -0.01 0.00 -1.51 0.00 0.00 72.50 66.91 2h3k s THR 38 CO -0.03 0.21 0.35 0.00 -2.21 0.00 0.00 174.62 172.94 2h3k n GLN 39 N 2.57 0.51 -3.37 7.08 6.02 -1.26 -5.10 117.38 123.82 2h3k n GLN 39 Ca 0.04 -2.66 -0.29 0.00 -0.01 0.00 0.00 57.00 54.09 2h3k n GLN 39 Cb 0.45 2.39 -0.03 0.00 1.02 0.00 0.00 30.24 34.06 2h3k n GLN 39 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2h3k s TYR 40 N -3.17 3.47 0.44 1.08 1.51 -1.26 -5.02 117.35 114.40 2h3k s TYR 40 Ca 0.30 0.65 0.08 0.00 -1.01 0.00 0.00 57.07 57.09 2h3k s TYR 40 Cb 0.00 -2.11 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2h3k s TYR 40 CO 0.21 0.20 0.56 0.71 -1.11 0.00 0.00 175.55 176.12 2h3k s TYR 41 N -2.03 2.64 -0.13 2.71 1.51 -1.26 -5.03 117.35 115.76 2h3k s TYR 41 Ca 0.44 -0.45 0.20 0.00 -1.01 0.00 0.00 57.07 56.25 2h3k s TYR 41 Cb -0.11 -2.32 -0.20 0.00 -0.11 0.00 0.00 41.96 39.22 2h3k s TYR 41 CO 0.29 -0.45 0.63 0.72 -1.11 0.00 0.00 175.55 175.63 2h3k n HIS 42 N -1.84 0.48 -4.41 2.71 8.25 -1.26 -4.87 115.22 114.28 2h3k n HIS 42 Ca 0.08 0.15 -0.34 0.00 -0.26 0.00 0.00 57.72 57.35 2h3k n HIS 42 Cb 0.60 -0.84 -0.12 0.00 1.12 0.00 0.00 29.99 30.74 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 -3.16 3.02 -1.21 4.41 0.08 -1.26 -5.03 117.98 114.83 2h3k s PHE 43 Ca -0.05 -0.29 -0.18 0.00 0.12 0.00 0.00 56.93 56.53 2h3k s PHE 43 Cb 0.10 -1.95 0.09 0.00 -0.57 0.00 0.00 43.02 40.70 2h3k s PHE 43 CO 0.84 -0.02 1.59 -0.06 -0.10 0.00 0.00 175.22 177.47 2h3k s PHE 44 N 0.32 2.93 0.00 0.36 0.40 -1.26 -4.81 117.98 115.92 2h3k s PHE 44 Ca -0.04 -1.62 0.00 0.00 -0.60 0.00 0.00 56.93 54.67 2h3k s PHE 44 Cb -0.14 -4.62 0.00 0.00 0.51 0.00 0.00 43.02 38.77 2h3k s PHE 44 CO 0.03 -1.71 0.00 -1.13 0.70 0.00 0.00 175.22 173.11 2h3k n SER 45 N 7.71 0.00 -4.77 1.36 3.41 -1.26 -4.03 113.62 116.04 2h3k n SER 45 Ca 0.42 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.73 2h3k n SER 45 Cb 0.46 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.52 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2h3k s ILE 46 N 0.00 2.81 0.15 -1.33 1.09 -1.26 0.48 121.20 123.14 2h3k s ILE 46 Ca 0.00 0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.81 2h3k s ILE 46 Cb 0.00 -2.91 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 2h3k s ILE 46 CO 0.00 -0.34 0.00 1.17 -0.10 0.00 0.00 174.94 175.67 2h3k n LYS 47 N -3.64 0.00 -2.29 2.79 4.81 -1.26 -4.84 118.16 113.74 2h3k n LYS 47 Ca 0.07 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.24 2h3k n LYS 47 Cb 0.56 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.65 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 -3.42 5.43 0.34 3.14 1.01 -1.26 -5.03 116.67 116.87 2h3k s ASP 48 Ca 0.00 0.73 -0.27 0.00 0.71 0.00 0.00 52.55 53.72 2h3k s ASP 48 Cb 0.00 -1.63 -0.09 0.00 1.01 0.00 0.00 42.92 42.21 2h3k s ASP 48 CO 0.00 -1.20 1.11 -2.16 0.21 0.00 0.00 175.17 173.13 2h3k s PRO 49 N -5.09 4.35 0.81 8.23 0.04 -1.26 -4.68 135.00 137.39 2h3k s PRO 49 Ca 0.56 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2h3k s PRO 49 Cb -0.11 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 2h3k s PRO 49 CO 0.46 -0.03 0.34 0.00 0.04 0.00 0.00 177.00 177.80 2h3k n ALA 50 N 0.55 -2.29 -3.19 8.56 0.00 0.18 -4.48 120.51 119.84 2h3k n ALA 50 Ca 0.02 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 2h3k n ALA 50 Cb 0.46 -1.75 -0.17 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.57 2.80 -0.23 0.00 1.11 -0.45 0.16 116.67 118.49 2h3k s ASP 51 Ca 0.60 -0.50 -0.11 0.00 0.18 0.00 0.00 52.55 52.73 2h3k s ASP 51 Cb -0.30 -1.19 -0.05 0.00 1.07 0.00 0.00 42.92 42.45 2h3k s ASP 51 CO 0.64 0.15 0.17 -0.69 1.18 0.00 0.00 175.17 176.61 2h3k s VAL 52 N 0.32 5.36 -0.44 -1.27 1.01 -0.75 0.16 120.40 124.78 2h3k s VAL 52 Ca -0.16 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 2h3k s VAL 52 Cb -0.17 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.82 2h3k s VAL 52 CO 0.07 0.36 0.25 -0.31 0.00 0.00 0.00 175.10 175.47 2h3k s TYR 53 N 0.92 3.55 -0.28 5.22 1.51 0.89 -0.01 117.35 129.15 2h3k s TYR 53 Ca 0.08 -2.44 -0.29 0.00 -1.01 0.00 0.00 57.07 53.41 2h3k s TYR 53 Cb -0.13 -3.23 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 2h3k s TYR 53 CO 0.03 -0.95 1.27 0.71 -1.11 0.00 0.00 175.55 175.50 2h3k s TYR 54 N 0.96 2.76 0.06 2.71 2.02 -1.26 -1.12 117.35 123.49 2h3k s TYR 54 Ca 0.09 0.93 0.01 0.00 -0.37 0.00 0.00 57.07 57.73 2h3k s TYR 54 Cb -0.23 -3.82 0.01 0.00 -0.40 0.00 0.00 41.96 37.52 2h3k s TYR 54 CO -0.04 -1.60 0.04 0.25 -1.57 0.00 0.00 175.55 172.63 2h3k n THR 55 N 6.04 0.00 0.27 -0.71 -2.24 -1.21 -4.60 114.28 111.83 2h3k n THR 55 Ca 0.14 -0.25 0.16 0.00 -2.27 0.00 0.00 64.05 61.83 2h3k n THR 55 Cb 0.46 -0.42 0.66 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.95 -3.38 116.57 114.11 2h3k h LYS 56 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2h3k h LYS 56 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2h3k h LYS 56 CO 0.06 0.06 0.00 1.63 -2.27 0.00 0.00 179.45 178.93 2h3k n LYS 57 N -3.19 0.00 -4.14 1.90 4.01 -1.26 -5.07 118.16 110.41 2h3k n LYS 57 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 2h3k n LYS 57 Cb 0.32 -0.16 -0.10 0.00 -0.51 0.00 0.00 35.03 34.58 2h3k n LYS 57 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2h3k s LYS 58 N 0.00 1.00 0.94 1.97 -0.14 -1.26 -4.99 119.74 117.26 2h3k s LYS 58 Ca 0.00 -1.45 -0.11 0.00 -1.36 0.00 0.00 55.97 53.06 2h3k s LYS 58 Cb 0.00 0.26 0.16 0.00 -1.68 0.00 0.00 37.83 36.57 2h3k s LYS 58 CO 0.00 -0.30 1.12 0.00 -0.76 0.00 0.00 175.35 175.41 2h3k s ALA 59 N -4.06 1.22 -0.31 5.17 0.00 -1.26 -3.34 121.76 119.17 2h3k s ALA 59 Ca 0.26 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 2h3k s ALA 59 Cb 0.07 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.93 2h3k s ALA 59 CO 0.03 -2.83 0.20 -1.21 0.00 0.00 0.00 175.76 171.96 2h3k s GLU 60 N -4.66 0.31 0.35 0.00 2.02 -0.27 -3.81 118.70 112.64 2h3k s GLU 60 Ca 0.66 -0.60 -0.26 0.00 0.02 0.00 0.00 54.97 54.79 2h3k s GLU 60 Cb -0.22 -1.03 -0.09 0.00 0.10 0.00 0.00 34.13 32.88 2h3k s GLU 60 CO 0.59 -1.07 1.06 0.08 0.02 0.00 0.00 175.26 175.94 2h3k s VAL 61 N 1.94 3.68 0.30 2.63 1.01 -0.71 -0.08 120.40 129.16 2h3k s VAL 61 Ca 0.11 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.56 2h3k s VAL 61 Cb -0.17 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2h3k s VAL 61 CO -0.27 0.15 0.03 -1.61 0.00 0.00 0.00 175.10 173.40 2h3k s GLU 62 N -2.08 1.56 -0.03 2.72 2.02 0.42 -1.01 118.70 122.30 2h3k s GLU 62 Ca 0.52 -1.84 -0.18 0.00 0.02 0.00 0.00 54.97 53.50 2h3k s GLU 62 Cb -0.25 -0.80 0.03 0.00 0.10 0.00 0.00 34.13 33.20 2h3k s GLU 62 CO 0.32 -0.15 0.38 -0.51 0.02 0.00 0.00 175.26 175.32 2h3k s LEU 63 N -3.43 0.57 0.11 1.80 1.02 0.18 -1.34 118.68 117.58 2h3k s LEU 63 Ca 0.34 0.23 -0.00 0.00 0.02 0.00 0.00 54.13 54.72 2h3k s LEU 63 Cb 0.07 1.50 -0.04 0.00 0.02 0.00 0.00 46.19 47.74 2h3k s LEU 63 CO 0.14 -0.46 0.27 -0.62 0.02 0.00 0.00 176.35 175.69 2h3k s ASP 64 N -1.24 6.38 -0.17 2.29 2.15 -1.26 -2.46 116.67 122.36 2h3k s ASP 64 Ca -0.13 0.32 -0.03 0.00 0.43 0.00 0.00 52.55 53.14 2h3k s ASP 64 Cb -0.04 -1.98 0.06 0.00 -0.30 0.00 0.00 42.92 40.65 2h3k s ASP 64 CO 0.05 0.11 0.05 -0.63 -0.17 0.00 0.00 175.17 174.58 2h3k s ILE 65 N -1.62 0.29 -0.51 4.11 1.09 -0.24 -3.98 121.20 120.35 2h3k s ILE 65 Ca 0.36 -0.32 0.24 0.00 -1.10 0.00 0.00 60.65 59.83 2h3k s ILE 65 Cb -0.12 -0.80 0.32 0.00 -1.06 0.00 0.00 42.46 40.80 2h3k s ILE 65 CO 0.28 -0.17 1.64 -1.13 -0.10 0.00 0.00 174.94 175.46 2h3k h ASN 66 N 8.32 0.00 -2.29 3.58 -0.73 -0.16 -0.24 115.58 124.05 2h3k h ASN 66 Ca -0.16 -0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.38 2h3k h ASN 66 Cb 1.13 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 39.33 2h3k h ASN 66 CO 0.31 0.00 -0.33 0.35 -0.37 0.00 0.00 177.43 177.39 2h3k n THR 67 N -2.89 3.44 0.23 -3.57 -2.24 -1.25 -4.51 114.28 103.49 2h3k n THR 67 Ca 0.04 -5.57 0.10 0.00 -2.27 0.00 0.00 64.05 56.35 2h3k n THR 67 Cb 0.51 -1.63 0.57 0.00 -2.10 0.00 0.00 70.33 67.68 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 3.57 1.22 0.00 6.98 0.00 -1.70 -2.20 119.26 127.12 2h3k h ALA 68 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2h3k h ALA 68 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2h3k h ALA 68 CO 0.90 0.26 0.00 1.03 0.00 0.00 0.00 179.25 181.44 2h3k h SER 69 N 0.00 0.00 0.11 0.00 0.87 -1.88 -3.07 113.55 109.59 2h3k h SER 69 Ca -0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 2h3k h SER 69 Cb 0.52 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 2h3k h SER 69 CO 0.03 0.00 -2.14 0.35 -0.53 0.00 0.00 176.83 174.53 2h3k n THR 70 N -2.53 1.66 -2.02 2.23 -2.24 -0.83 -4.90 114.28 105.64 2h3k n THR 70 Ca 0.01 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 2h3k n THR 70 Cb 0.22 -1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 66.91 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 3.06 0.00 4.78 0.52 -1.16 -3.25 118.94 120.34 2h3k s TRP 71 Ca -0.24 0.97 0.00 0.00 0.02 0.00 0.00 56.10 56.85 2h3k s TRP 71 Cb 0.07 -3.81 0.00 0.00 -1.15 0.00 0.00 33.47 28.58 2h3k s TRP 71 CO 0.72 -2.72 0.00 1.17 0.02 0.00 0.00 176.95 176.14 2h3k n LYS 72 N 2.73 0.43 -4.32 4.98 4.81 -1.12 -3.18 118.16 122.49 2h3k n LYS 72 Ca 0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.35 2h3k n LYS 72 Cb 0.40 -0.97 -0.10 0.00 0.02 0.00 0.00 35.03 34.38 2h3k n LYS 72 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2h3k s LYS 73 N -1.93 1.29 -0.30 1.64 -0.14 -1.26 -1.28 119.74 117.76 2h3k s LYS 73 Ca 0.00 -1.62 -0.17 0.00 -1.36 0.00 0.00 55.97 52.82 2h3k s LYS 73 Cb 0.00 -0.69 0.20 0.00 -1.68 0.00 0.00 37.83 35.66 2h3k s LYS 73 CO 0.00 -0.03 1.22 0.12 -0.76 0.00 0.00 175.35 175.90 2h3k s PHE 74 N -3.34 -0.17 -0.36 3.18 5.36 -1.20 -3.94 117.98 117.51 2h3k s PHE 74 Ca 0.25 0.33 -0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2h3k s PHE 74 Cb 0.04 0.10 0.18 0.00 -0.34 0.00 0.00 43.02 43.01 2h3k s PHE 74 CO 0.07 -0.08 0.82 -1.21 -1.46 0.00 0.00 175.22 173.35 2h3k s GLU 75 N 1.40 0.51 0.73 10.12 0.41 -0.98 -4.48 118.70 126.41 2h3k s GLU 75 Ca -0.06 -0.11 -0.16 0.00 -0.41 0.00 0.00 54.97 54.23 2h3k s GLU 75 Cb -0.02 0.07 0.01 0.00 -1.78 0.00 0.00 34.13 32.41 2h3k s GLU 75 CO -0.12 -0.75 0.95 1.33 -0.49 0.00 0.00 175.26 176.18 2h3k n VAL 76 N 4.21 2.62 -3.66 2.63 0.24 -1.25 -4.01 118.33 119.11 2h3k n VAL 76 Ca 0.08 -0.35 -0.16 0.00 -2.04 0.00 0.00 64.34 61.87 2h3k n VAL 76 Cb 0.59 -1.08 -0.15 0.00 -1.47 0.00 0.00 33.84 31.74 2h3k n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2h3k s TYR 77 N -1.86 -0.25 -0.02 6.34 5.04 -0.86 -0.72 117.35 125.01 2h3k s TYR 77 Ca 0.72 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 56.01 2h3k s TYR 77 Cb -0.34 -0.21 0.01 0.00 0.35 0.00 0.00 41.96 41.77 2h3k s TYR 77 CO 0.51 -0.31 0.07 -2.00 -1.34 0.00 0.00 175.55 172.48 2h3k s GLU 78 N 2.33 0.12 -1.37 4.97 -6.30 -1.24 -2.52 118.70 114.69 2h3k s GLU 78 Ca 0.03 0.03 -0.08 0.00 -2.50 0.00 0.00 54.97 52.44 2h3k s GLU 78 Cb -0.12 0.06 0.01 0.00 0.00 0.00 0.00 34.13 34.07 2h3k s GLU 78 CO -0.07 -0.02 1.11 -1.71 0.02 0.00 0.00 175.26 174.60 2h3k n ASN 79 N 2.86 -6.34 -3.22 -1.70 4.05 -1.26 -3.27 115.26 106.38 2h3k n ASN 79 Ca -0.14 -0.51 -0.08 0.00 0.45 0.00 0.00 54.58 54.31 2h3k n ASN 79 Cb 0.59 -4.98 0.02 0.00 1.23 0.00 0.00 39.78 36.63 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2h3k n ASN 80 N -2.92 -7.10 -2.70 1.20 5.15 -1.26 -5.00 115.26 102.64 2h3k n ASN 80 Ca -0.00 -0.36 -0.01 0.00 -0.60 0.00 0.00 54.58 53.61 2h3k n ASN 80 Cb 0.57 -4.79 0.02 0.00 -0.53 0.00 0.00 39.78 35.04 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2h3k s GLN 81 N -3.70 0.14 -0.21 1.20 -0.21 -1.20 -5.11 119.66 110.57 2h3k s GLN 81 Ca 0.13 -0.10 -0.29 0.00 0.02 0.00 0.00 55.36 55.12 2h3k s GLN 81 Cb -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 33.01 33.95 2h3k s GLN 81 CO 0.77 -0.19 1.93 0.21 -2.12 0.00 0.00 175.29 175.89 2h3k s LYS 82 N 1.46 3.48 0.06 2.91 2.20 -1.26 -3.68 119.74 124.92 2h3k s LYS 82 Ca 0.19 1.87 -0.30 0.00 -0.36 0.00 0.00 55.97 57.37 2h3k s LYS 82 Cb 0.09 -4.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.14 2h3k s LYS 82 CO -0.13 -1.69 1.02 -0.51 -0.36 0.00 0.00 175.35 173.68 2h3k s LEU 83 N 6.66 4.42 -1.03 5.43 1.43 0.10 -4.95 118.68 130.75 2h3k s LEU 83 Ca 0.87 1.80 -0.23 0.00 -1.03 0.00 0.00 54.13 55.54 2h3k s LEU 83 Cb -0.30 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.35 2h3k s LEU 83 CO 0.34 -0.22 1.69 -2.16 0.23 0.00 0.00 176.35 176.23 2h3k s PRO 84 N 0.54 3.19 0.07 1.29 0.04 -1.26 -3.88 135.00 135.00 2h3k s PRO 84 Ca 0.51 -0.95 -0.34 0.00 0.04 0.00 0.00 61.00 60.26 2h3k s PRO 84 Cb -0.24 -5.27 -0.14 0.00 0.04 0.00 0.00 34.50 28.90 2h3k s PRO 84 CO 0.29 -2.77 1.65 1.55 0.04 0.00 0.00 177.00 177.77 2h3k n VAL 85 N 7.25 0.17 -3.67 -0.36 3.14 -1.26 -4.97 118.33 118.63 2h3k n VAL 85 Ca 0.38 -0.03 -0.22 0.00 -2.96 0.00 0.00 64.34 61.51 2h3k n VAL 85 Cb 0.49 -1.57 -0.03 0.00 -1.06 0.00 0.00 33.84 31.67 2h3k n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h3k s ARG 86 N 1.83 2.43 0.07 1.45 3.03 -1.13 -4.93 118.95 121.71 2h3k s ARG 86 Ca 0.84 -1.68 0.05 0.00 2.03 0.00 0.00 55.73 56.97 2h3k s ARG 86 Cb -0.71 -2.29 -0.04 0.00 -1.03 0.00 0.00 34.95 30.88 2h3k s ARG 86 CO 0.43 -0.30 -0.06 -0.51 -1.13 0.00 0.00 175.30 173.73 2h3k s LEU 87 N -4.16 3.20 -0.04 -1.89 1.02 -1.26 -2.42 118.68 113.14 2h3k s LEU 87 Ca 0.45 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.37 2h3k s LEU 87 Cb -0.02 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 2h3k s LEU 87 CO 0.26 0.21 -0.01 1.33 0.02 0.00 0.00 176.35 178.17 2h3k n VAL 88 N 0.93 0.22 -3.55 -1.59 0.24 -1.14 -4.99 118.33 108.45 2h3k n VAL 88 Ca -0.13 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.34 61.90 2h3k n VAL 88 Cb 0.52 -0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2h3k s SER 89 N -3.81 -0.53 -0.15 -1.34 1.04 -1.26 -4.65 113.70 103.00 2h3k s SER 89 Ca -0.03 0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 2h3k s SER 89 Cb 0.01 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.70 2h3k s SER 89 CO 0.12 -0.66 0.36 -0.47 0.98 0.00 0.00 173.24 173.56 2h3k s TYR 90 N -1.88 -0.55 0.51 5.02 5.04 0.17 -0.55 117.35 125.12 2h3k s TYR 90 Ca -0.08 1.18 -0.17 0.00 -2.44 0.00 0.00 57.07 55.56 2h3k s TYR 90 Cb -0.01 0.19 -0.08 0.00 0.35 0.00 0.00 41.96 42.42 2h3k s TYR 90 CO 0.03 -0.34 0.99 0.45 -1.34 0.00 0.00 175.55 175.34 2h3k s SER 91 N 1.61 6.59 0.91 4.32 0.15 0.42 -1.31 113.70 126.40 2h3k s SER 91 Ca -0.08 1.60 -0.12 0.00 0.70 0.00 0.00 55.95 58.06 2h3k s SER 91 Cb -0.10 -2.51 0.14 0.00 -1.71 0.00 0.00 66.02 61.84 2h3k s SER 91 CO -0.11 -0.61 1.09 -2.16 1.20 0.00 0.00 173.24 172.65 2h3k s PRO 92 N -4.00 1.11 0.14 5.44 0.04 -1.26 -3.77 135.00 132.69 2h3k s PRO 92 Ca 0.59 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2h3k s PRO 92 Cb -0.10 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.78 2h3k s PRO 92 CO 0.30 -2.35 0.93 0.28 0.04 0.00 0.00 177.00 176.20 2h3k n VAL 93 N -3.96 -0.32 -0.20 -0.36 0.31 -1.26 0.13 118.33 112.67 2h3k n VAL 93 Ca 0.07 1.40 0.06 0.00 -0.01 0.00 0.00 64.34 65.87 2h3k n VAL 93 Cb 0.55 -1.85 0.34 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.77 0.06 5.55 0.13 -2.04 -2.02 132.00 134.44 2h3k h PRO 94 Ca 0.20 -0.05 -0.30 0.00 -0.87 0.00 0.00 66.00 64.98 2h3k h PRO 94 Cb 0.35 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 2h3k h PRO 94 CO -0.59 0.51 -1.65 0.93 -0.23 0.00 0.00 178.00 176.97 2h3k h GLU 95 N 0.79 0.12 -6.72 0.86 4.39 0.59 -3.48 114.58 111.14 2h3k h GLU 95 Ca 0.32 -0.21 -0.55 0.00 0.34 0.00 0.00 59.36 59.27 2h3k h GLU 95 Cb 0.25 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.88 2h3k h GLU 95 CO -0.11 0.86 -0.93 -3.47 -1.16 0.00 0.00 179.01 174.20 2h3k n ASP 96 N -3.28 -0.23 -4.01 1.42 -0.08 0.35 -4.93 116.55 105.79 2h3k n ASP 96 Ca -0.18 -1.12 -0.31 0.00 -1.51 0.00 0.00 54.79 51.67 2h3k n ASP 96 Cb 1.04 -2.47 -0.16 0.00 2.34 0.00 0.00 41.12 41.87 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 -4.08 2.35 0.05 -0.67 3.76 -1.25 -3.91 115.29 111.55 2h3k s HIS 97 Ca 0.04 -1.45 0.05 0.00 -0.15 0.00 0.00 55.06 53.55 2h3k s HIS 97 Cb -0.02 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 2h3k s HIS 97 CO 0.93 -0.72 -0.06 0.00 -0.85 0.00 0.00 174.74 174.04 2h3k s ALA 98 N 1.42 3.06 -0.01 -1.40 0.00 -0.10 0.16 121.76 124.89 2h3k s ALA 98 Ca 0.02 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.95 2h3k s ALA 98 Cb -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2h3k s ALA 98 CO -0.10 0.64 -0.24 0.71 0.00 0.00 0.00 175.76 176.77 2h3k s TYR 99 N -1.13 2.38 0.14 0.00 2.02 0.29 -1.07 117.35 119.99 2h3k s TYR 99 Ca 0.20 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.48 2h3k s TYR 99 Cb -0.11 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 2h3k s TYR 99 CO 0.12 0.03 0.10 0.96 -1.57 0.00 0.00 175.55 175.19 2h3k s ILE 100 N -0.67 0.08 0.06 2.71 -5.25 -1.03 -2.89 121.20 114.21 2h3k s ILE 100 Ca 0.11 -1.83 -0.27 0.00 -0.99 0.00 0.00 60.65 57.67 2h3k s ILE 100 Cb -0.10 -2.06 0.09 0.00 2.95 0.00 0.00 42.46 43.34 2h3k s ILE 100 CO -0.00 -0.38 0.78 0.00 -1.79 0.00 0.00 174.94 173.54 2h3k s ARG 101 N -4.05 1.00 0.11 0.37 1.70 -1.01 -0.65 118.95 116.42 2h3k s ARG 101 Ca 0.25 -0.36 -0.10 0.00 -0.47 0.00 0.00 55.73 55.04 2h3k s ARG 101 Cb 0.07 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2h3k s ARG 101 CO 0.03 -0.43 0.25 -0.59 -1.08 0.00 0.00 175.30 173.47 2h3k s PHE 102 N -3.33 0.12 0.65 5.89 -0.71 -0.18 -2.82 117.98 117.59 2h3k s PHE 102 Ca 0.03 -0.51 -0.13 0.00 -1.04 0.00 0.00 56.93 55.28 2h3k s PHE 102 Cb -0.01 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.80 2h3k s PHE 102 CO -0.10 -0.61 1.05 -1.25 -1.34 0.00 0.00 175.22 172.97 2h3k s PRO 103 N -3.87 3.13 -0.30 1.99 0.04 -1.26 -1.74 135.00 132.99 2h3k s PRO 103 Ca 0.06 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 2h3k s PRO 103 Cb 0.04 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.67 2h3k s PRO 103 CO -0.09 -0.95 0.15 0.14 0.04 0.00 0.00 177.00 176.29 2h3k s VAL 104 N -2.82 -0.07 0.15 -0.36 -7.23 -1.25 -4.89 120.40 103.94 2h3k s VAL 104 Ca 0.60 -0.85 -0.08 0.00 -1.81 0.00 0.00 61.98 59.84 2h3k s VAL 104 Cb -0.14 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.74 2h3k s VAL 104 CO 0.47 -0.74 0.44 -0.55 -0.31 0.00 0.00 175.10 174.41 2h3k s SER 105 N 2.00 6.58 -1.19 4.85 0.15 -1.26 -4.23 113.70 120.60 2h3k s SER 105 Ca 0.10 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2h3k s SER 105 Cb -0.17 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2h3k s SER 105 CO -0.32 0.05 0.00 -0.67 1.20 0.00 0.00 173.24 173.49 2h3k n ASP 106 N 0.24 -4.21 -1.48 5.45 -0.08 -1.26 -2.48 116.55 112.73 2h3k n ASP 106 Ca -0.03 0.06 -0.13 0.00 -1.51 0.00 0.00 54.79 53.18 2h3k n ASP 106 Cb 0.52 -3.28 -0.01 0.00 2.34 0.00 0.00 41.12 40.69 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 -1.09 -0.02 3.46 0.27 0.00 -1.22 -4.86 105.19 101.72 2h3k n GLY 107 Ca -0.15 -0.33 -0.60 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.27 2.61 -1.04 -1.04 -2.78 114.28 107.89 2h3k n THR 108 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2h3k n THR 108 Cb 0.60 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 2.33 0.72 -3.75 -2.82 7.27 -1.26 -2.93 117.38 116.93 2h3k n GLN 109 Ca 0.23 -0.23 -0.20 0.00 0.07 0.00 0.00 57.00 56.88 2h3k n GLN 109 Cb 0.03 -0.68 -0.17 0.00 2.41 0.00 0.00 30.24 31.83 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 -0.17 0.15 -0.01 3.69 -1.05 -1.26 0.58 118.70 120.63 2h3k s GLU 110 Ca 0.00 0.24 0.02 0.00 -0.15 0.00 0.00 54.97 55.08 2h3k s GLU 110 Cb 0.00 -0.58 0.00 0.00 -0.44 0.00 0.00 34.13 33.11 2h3k s GLU 110 CO 0.00 -0.27 -0.06 -0.48 0.95 0.00 0.00 175.26 175.40 2h3k s LEU 111 N 1.79 1.84 -0.69 1.83 2.34 -1.17 -4.77 118.68 119.84 2h3k s LEU 111 Ca 0.01 -0.12 -0.27 0.00 0.06 0.00 0.00 54.13 53.81 2h3k s LEU 111 Cb -0.12 -0.36 0.04 0.00 -0.56 0.00 0.00 46.19 45.18 2h3k s LEU 111 CO -0.03 0.05 1.21 -0.54 -1.06 0.00 0.00 176.35 175.97 2h3k s LYS 112 N 0.11 3.25 0.03 1.48 3.01 -1.05 -2.73 119.74 123.83 2h3k s LYS 112 Ca -0.01 -0.21 -0.30 0.00 -1.01 0.00 0.00 55.97 54.44 2h3k s LYS 112 Cb -0.05 -4.15 -0.06 0.00 -1.01 0.00 0.00 37.83 32.56 2h3k s LYS 112 CO -0.00 -1.98 1.32 0.42 0.51 0.00 0.00 175.35 175.61 2h3k s ILE 113 N 5.30 3.80 -0.21 2.17 1.01 -0.29 -2.04 121.20 130.94 2h3k s ILE 113 Ca 0.35 1.23 0.01 0.00 0.00 0.00 0.00 60.65 62.25 2h3k s ILE 113 Cb -0.09 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.63 2h3k s ILE 113 CO 0.17 0.04 -0.12 -0.69 0.00 0.00 0.00 174.94 174.33 2h3k s VAL 114 N 1.82 1.86 0.23 2.92 1.01 -1.26 -2.40 120.40 124.58 2h3k s VAL 114 Ca 0.61 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 2h3k s VAL 114 Cb -0.31 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.22 2h3k s VAL 114 CO 0.27 0.18 0.77 -0.94 0.00 0.00 0.00 175.10 175.38 2h3k s SER 115 N 1.30 -0.28 -0.05 3.32 1.04 -1.24 -2.32 113.70 115.46 2h3k s SER 115 Ca -0.02 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.92 2h3k s SER 115 Cb -0.17 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.63 2h3k s SER 115 CO -0.08 -1.18 0.01 -0.55 0.98 0.00 0.00 173.24 172.42 2h3k s SER 116 N -2.89 1.23 0.04 7.02 0.15 -1.25 -1.12 113.70 116.87 2h3k s SER 116 Ca 0.10 -0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.79 2h3k s SER 116 Cb -0.04 -0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 63.90 2h3k s SER 116 CO 0.03 -0.18 -0.23 0.42 1.20 0.00 0.00 173.24 174.48 2h3k s THR 117 N 1.76 2.40 -0.08 6.45 -4.23 -0.90 -2.77 115.64 118.27 2h3k s THR 117 Ca 0.01 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2h3k s THR 117 Cb -0.13 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2h3k s THR 117 CO -0.04 0.37 -0.03 0.00 -0.54 0.00 0.00 174.62 174.38 2h3k s GLN 118 N -1.28 0.91 -0.14 3.99 -2.07 -1.20 -2.17 119.66 117.71 2h3k s GLN 118 Ca 0.13 -0.03 0.16 0.00 -1.82 0.00 0.00 55.36 53.79 2h3k s GLN 118 Cb -0.10 -1.12 0.45 0.00 -1.09 0.00 0.00 33.01 31.14 2h3k s GLN 118 CO 0.03 -0.25 1.34 -0.89 -1.32 0.00 0.00 175.29 174.20 2h3k n ILE 119 N 4.88 2.02 -2.48 3.63 -0.00 -1.26 -4.77 119.36 121.39 2h3k n ILE 119 Ca -0.12 -1.80 -0.14 0.00 -0.00 0.00 0.00 62.75 60.69 2h3k n ILE 119 Cb 0.50 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.64 40.00 2h3k n ILE 119 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2h3k n ASP 120 N -0.53 -4.11 -0.04 4.38 9.92 -1.26 -4.82 116.55 120.10 2h3k n ASP 120 Ca 0.19 0.15 -0.14 0.00 -0.53 0.00 0.00 54.79 54.46 2h3k n ASP 120 Cb 0.77 -3.48 -0.14 0.00 -0.64 0.00 0.00 41.12 37.64 2h3k n ASP 120 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2h3k n ASP 121 N -1.85 1.23 0.00 -2.24 9.92 -1.26 -5.01 116.55 117.35 2h3k n ASP 121 Ca -0.15 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 2h3k n ASP 121 Cb 0.62 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 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 1.80 -1.70 3.32 0.44 0.00 -1.26 -5.15 105.19 102.64 2h3k n GLY 122 Ca -0.27 0.59 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 2h3k n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h3k s GLU 123 N 0.00 1.25 0.21 1.61 2.12 -1.26 -5.09 118.70 117.54 2h3k s GLU 123 Ca 0.00 -1.21 -0.32 0.00 0.36 0.00 0.00 54.97 53.80 2h3k s GLU 123 Cb 0.00 -1.59 -0.12 0.00 0.26 0.00 0.00 34.13 32.68 2h3k s GLU 123 CO 0.00 0.38 1.72 -2.00 -0.54 0.00 0.00 175.26 174.82 2h3k s GLU 124 N -1.90 4.12 -0.31 4.30 2.12 -1.26 -4.89 118.70 120.88 2h3k s GLU 124 Ca 0.09 2.61 -0.21 0.00 0.36 0.00 0.00 54.97 57.82 2h3k s GLU 124 Cb -0.10 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 2h3k s GLU 124 CO 0.05 -0.75 0.65 0.99 -0.54 0.00 0.00 175.26 175.65 2h3k s THR 125 N 1.17 4.91 -0.18 -1.70 2.01 -0.92 -5.00 115.64 115.92 2h3k s THR 125 Ca 0.75 0.85 -0.04 0.00 0.31 0.00 0.00 61.69 63.55 2h3k s THR 125 Cb -0.50 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 2h3k s THR 125 CO 0.32 -0.18 -0.03 0.21 -0.69 0.00 0.00 174.62 174.24 2h3k s ASN 126 N 1.67 4.63 -1.12 3.53 3.84 -1.26 -2.11 114.94 124.11 2h3k s ASN 126 Ca 0.26 -0.23 -0.05 0.00 0.21 0.00 0.00 52.86 53.05 2h3k s ASN 126 Cb -0.15 -1.77 0.28 0.00 -0.55 0.00 0.00 41.25 39.06 2h3k s ASN 126 CO 0.12 0.09 1.55 -1.22 -2.79 0.00 0.00 177.10 174.86 2h3k n TYR 127 N 4.07 2.43 0.06 0.43 4.01 -0.28 -4.81 117.16 123.08 2h3k n TYR 127 Ca -0.17 -2.64 0.21 0.00 -0.16 0.00 0.00 57.90 55.14 2h3k n TYR 127 Cb 0.52 -1.40 0.74 0.00 -0.31 0.00 0.00 39.34 38.89 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 5.52 0.00 -0.94 7.72 1.82 -1.87 -3.30 116.42 125.37 2h3k h ASP 128 Ca 0.24 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.96 2h3k h ASP 128 Cb 0.62 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.42 2h3k h ASP 128 CO 1.39 0.00 -0.26 -0.47 -1.61 0.00 0.00 179.24 178.28 2h3k s TYR 129 N -4.69 -1.57 -0.36 0.28 5.04 -1.26 -4.89 117.35 109.90 2h3k s TYR 129 Ca -0.04 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 2h3k s TYR 129 Cb 0.16 0.47 0.09 0.00 0.35 0.00 0.00 41.96 43.04 2h3k s TYR 129 CO 0.58 -0.88 0.10 0.99 -1.34 0.00 0.00 175.55 175.00 2h3k s THR 130 N 2.86 2.77 -0.75 4.34 2.01 -1.01 -4.50 115.64 121.36 2h3k s THR 130 Ca 0.17 -2.06 -0.26 0.00 0.31 0.00 0.00 61.69 59.85 2h3k s THR 130 Cb -0.13 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2h3k s THR 130 CO -0.22 -0.53 1.62 -0.75 -0.69 0.00 0.00 174.62 174.05 2h3k s LYS 131 N 1.06 2.93 -0.55 4.92 2.20 -0.61 -1.14 119.74 128.55 2h3k s LYS 131 Ca 0.06 -0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 55.50 2h3k s LYS 131 Cb -0.21 -4.54 0.14 0.00 -1.51 0.00 0.00 37.83 31.71 2h3k s LYS 131 CO -0.05 -2.56 0.49 -1.17 -0.36 0.00 0.00 175.35 171.69 2h3k s LEU 132 N 7.55 6.10 -0.33 5.43 0.20 -1.11 -1.64 118.68 134.88 2h3k s LEU 132 Ca 0.54 -1.94 -0.21 0.00 0.69 0.00 0.00 54.13 53.21 2h3k s LEU 132 Cb -0.09 -2.15 -0.00 0.00 -0.43 0.00 0.00 46.19 43.52 2h3k s LEU 132 CO 0.12 -0.77 0.65 -0.69 -0.29 0.00 0.00 176.35 175.37 2h3k s VAL 133 N 1.35 4.89 1.10 1.68 1.01 -0.90 -3.06 120.40 126.48 2h3k s VAL 133 Ca 0.06 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 2h3k s VAL 133 Cb -0.27 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.15 2h3k s VAL 133 CO 0.01 -0.23 -0.01 0.49 0.00 0.00 0.00 175.10 175.35 2h3k n PHE 134 N 6.00 -1.43 0.15 5.22 3.72 0.20 -0.49 117.46 130.82 2h3k n PHE 134 Ca -0.00 0.16 0.02 0.00 -0.05 0.00 0.00 57.45 57.57 2h3k n PHE 134 Cb 0.49 -1.57 0.16 0.00 -0.94 0.00 0.00 39.48 37.61 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 -2.00 0.81 -2.73 4.37 0.00 -0.16 -3.42 119.26 116.13 2h3k h ALA 135 Ca -0.52 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 53.79 2h3k h ALA 135 Cb 1.36 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 2h3k h ALA 135 CO 0.37 0.68 -0.27 0.15 0.00 0.00 0.00 179.25 180.19 2h3k s LYS 136 N -3.30 1.35 0.20 0.00 1.02 -1.26 -5.01 119.74 112.74 2h3k s LYS 136 Ca 0.01 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 2h3k s LYS 136 Cb 0.10 0.41 -0.09 0.00 -0.52 0.00 0.00 37.83 37.73 2h3k s LYS 136 CO 0.73 -0.52 1.27 -1.25 -0.92 0.00 0.00 175.35 174.66 2h3k s PRO 137 N -4.02 4.42 -1.03 -1.68 0.04 -1.26 -4.76 135.00 126.71 2h3k s PRO 137 Ca 0.23 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 2h3k s PRO 137 Cb 0.02 -3.21 0.18 0.00 0.04 0.00 0.00 34.50 31.53 2h3k s PRO 137 CO 0.06 -0.20 1.16 0.42 0.04 0.00 0.00 177.00 178.48 2h3k s ILE 138 N 0.05 5.14 -0.23 0.56 -1.09 -1.12 -4.95 121.20 119.56 2h3k s ILE 138 Ca 0.55 -2.30 -0.14 0.00 -2.23 0.00 0.00 60.65 56.53 2h3k s ILE 138 Cb -0.35 -4.75 -0.04 0.00 -1.58 0.00 0.00 42.46 35.74 2h3k s ILE 138 CO 0.38 -1.42 0.33 -0.31 -1.23 0.00 0.00 174.94 172.68 2h3k s TYR 139 N 1.41 3.33 1.18 3.97 2.02 -1.26 -3.45 117.35 124.54 2h3k s TYR 139 Ca 0.33 0.46 -0.14 0.00 -0.37 0.00 0.00 57.07 57.35 2h3k s TYR 139 Cb -0.06 -2.47 0.28 0.00 -0.40 0.00 0.00 41.96 39.32 2h3k s TYR 139 CO -0.06 -0.04 1.03 1.21 -1.57 0.00 0.00 175.55 176.11 2h3k s ASN 140 N 1.20 0.92 -0.65 2.29 2.47 -1.26 -4.95 114.94 114.95 2h3k s ASN 140 Ca 0.15 1.28 -0.03 0.00 0.42 0.00 0.00 52.86 54.68 2h3k s ASN 140 Cb -0.15 -1.97 0.17 0.00 -1.45 0.00 0.00 41.25 37.85 2h3k s ASN 140 CO 0.08 -4.20 0.47 -1.81 -3.72 0.00 0.00 177.10 167.91 2h3k s ASP 141 N -2.87 5.31 0.20 -4.21 1.01 -1.26 -4.88 116.67 109.97 2h3k s ASP 141 Ca 0.68 -2.90 0.24 0.00 0.71 0.00 0.00 52.55 51.27 2h3k s ASP 141 Cb -0.21 -1.87 0.91 0.00 1.01 0.00 0.00 42.92 42.75 2h3k s ASP 141 CO 0.62 -0.36 1.72 -0.81 0.21 0.00 0.00 175.17 176.54 2h3k n PRO 142 N 3.43 0.18 -2.02 8.23 -0.04 -1.26 -3.28 135.00 140.24 2h3k n PRO 142 Ca 0.09 0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.79 2h3k n PRO 142 Cb 0.38 -1.78 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 2h3k n PRO 142 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2h3k n SER 143 N -2.11 2.62 0.00 3.54 3.41 -1.26 -5.21 113.62 114.61 2h3k n SER 143 Ca 0.04 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 2h3k n SER 143 Cb 0.29 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77