#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 -0.66 0.00 0.00 2.15 -1.26 -4.74 116.67 112.16 2h3k s ASP 2 Ca 0.00 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.19 2h3k s ASP 2 Cb 0.00 1.45 0.00 0.00 -0.30 0.00 0.00 42.92 44.07 2h3k s ASP 2 CO 0.00 -0.22 0.00 -1.84 -0.17 0.00 0.00 175.17 172.94 2h3k n GLU 3 N 4.94 0.00 -3.18 4.34 0.28 -1.26 -5.16 120.64 120.60 2h3k n GLU 3 Ca -0.15 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.55 2h3k n GLU 3 Cb 0.52 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.36 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 1.97 6.50 0.49 -1.84 0.01 -1.26 -4.59 113.70 114.97 2h3k s SER 4 Ca 0.00 0.90 0.27 0.00 1.31 0.00 0.00 55.95 58.43 2h3k s SER 4 Cb 0.00 -2.22 0.77 0.00 0.21 0.00 0.00 66.02 64.78 2h3k s SER 4 CO 0.00 -0.25 1.77 -0.07 0.41 0.00 0.00 173.24 175.10 2h3k h LEU 5 N 1.67 0.00 0.15 2.44 3.38 -0.53 -2.67 115.31 119.75 2h3k h LEU 5 Ca -0.47 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.19 2h3k h LEU 5 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2h3k h LEU 5 CO 0.66 0.00 -1.47 0.50 0.09 0.00 0.00 178.44 178.22 2h3k h LYS 6 N 0.00 0.32 0.00 1.13 3.64 -1.64 -2.87 116.57 117.16 2h3k h LYS 6 Ca -0.00 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2h3k h LYS 6 Cb 0.80 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2h3k h LYS 6 CO 0.00 1.22 -0.14 0.22 -2.27 0.00 0.00 179.45 178.48 2h3k h ASP 7 N 0.09 0.00 0.23 4.20 3.58 -1.88 -3.32 116.42 119.32 2h3k h ASP 7 Ca -0.23 -0.03 -0.34 0.00 0.42 0.00 0.00 57.03 56.85 2h3k h ASP 7 Cb 2.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.07 2h3k h ASP 7 CO 0.20 0.01 -1.89 0.00 -2.88 0.00 0.00 179.24 174.68 2h3k h ALA 8 N 2.33 0.48 -0.26 -0.78 0.00 -1.56 -3.34 119.26 116.14 2h3k h ALA 8 Ca 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 54.91 53.61 2h3k h ALA 8 Cb 0.84 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2h3k h ALA 8 CO 0.00 1.35 0.35 -0.84 0.00 0.00 0.00 179.25 180.10 2h3k h ILE 9 N 0.06 0.31 -0.99 0.00 3.07 -1.60 -3.01 117.51 115.35 2h3k h ILE 9 Ca -0.38 0.00 -0.73 0.00 1.55 0.00 0.00 64.86 65.30 2h3k h ILE 9 Cb 2.03 0.71 -0.11 0.00 -0.27 0.00 0.00 36.82 39.19 2h3k h ILE 9 CO 0.10 0.00 2.56 0.29 -1.05 0.00 0.00 178.15 180.04 2h3k n LYS 10 N -3.55 4.13 -5.03 0.16 4.76 -1.25 -4.82 118.16 112.55 2h3k n LYS 10 Ca 0.04 -3.26 -0.32 0.00 -2.87 0.00 0.00 58.31 51.89 2h3k n LYS 10 Cb 0.48 -2.77 -0.15 0.00 -1.84 0.00 0.00 35.03 30.76 2h3k n LYS 10 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2h3k s ASP 11 N 0.89 3.63 0.45 4.39 -1.08 -1.14 -5.00 116.67 118.81 2h3k s ASP 11 Ca 0.52 -0.34 0.25 0.00 -0.52 0.00 0.00 52.55 52.46 2h3k s ASP 11 Cb 0.16 -0.93 0.83 0.00 -1.46 0.00 0.00 42.92 41.52 2h3k s ASP 11 CO -0.06 0.28 1.78 1.55 0.52 0.00 0.00 175.17 179.24 2h3k h PRO 12 N 5.83 0.00 0.00 4.34 0.13 -1.93 -1.05 132.00 139.32 2h3k h PRO 12 Ca -0.38 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.63 2h3k h PRO 12 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2h3k h PRO 12 CO 0.50 0.16 -1.14 0.00 -0.23 0.00 0.00 178.00 177.29 2h3k h ALA 13 N 1.84 0.64 0.00 -0.56 0.00 -1.99 -3.34 119.26 115.85 2h3k h ALA 13 Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2h3k h ALA 13 Cb 0.81 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2h3k h ALA 13 CO 0.02 0.65 -1.49 1.28 0.00 0.00 0.00 179.25 179.71 2h3k n LEU 14 N -2.91 0.51 -4.53 0.00 4.77 -1.15 -4.69 117.00 109.00 2h3k n LEU 14 Ca -0.05 0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 2h3k n LEU 14 Cb 0.75 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.77 2h3k n LEU 14 CO 0.42 -0.03 1.93 1.21 -1.33 0.00 0.00 177.39 179.58 2h3k n GLU 15 N -2.57 0.59 -2.89 3.23 4.07 -0.41 -0.81 120.64 121.85 2h3k n GLU 15 Ca -0.05 -0.17 -0.00 0.00 -0.06 0.00 0.00 57.16 56.88 2h3k n GLU 15 Cb 0.64 -2.78 -0.00 0.00 -0.06 0.00 0.00 31.44 29.24 2h3k n GLU 15 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2h3k n ASN 16 N 14.12 -7.37 0.00 4.31 3.02 -0.94 -4.90 115.26 123.51 2h3k n ASN 16 Ca 0.49 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 56.11 2h3k n ASN 16 Cb 0.36 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.54 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 0.96 3.86 -3.87 3.52 4.81 -1.23 -5.01 118.16 121.19 2h3k n LYS 17 Ca -0.01 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.11 2h3k n LYS 17 Cb 0.19 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.11 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 1.05 2.16 -0.35 1.64 2.56 -1.26 -4.93 118.70 119.57 2h3k s GLU 18 Ca 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 54.97 52.41 2h3k s GLU 18 Cb 0.00 -3.45 0.42 0.00 2.00 0.00 0.00 34.13 33.09 2h3k s GLU 18 CO 0.00 -1.13 1.74 -2.39 -0.56 0.00 0.00 175.26 172.93 2h3k n HIS 19 N 3.27 2.15 -2.25 5.30 1.44 -1.26 -4.45 115.22 119.41 2h3k n HIS 19 Ca 0.06 -1.70 -0.30 0.00 -2.01 0.00 0.00 57.72 53.77 2h3k n HIS 19 Cb 0.34 -0.85 0.02 0.00 0.12 0.00 0.00 29.99 29.62 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 -0.50 5.57 -4.10 4.39 9.92 -1.26 -4.92 116.55 125.64 2h3k n ASP 20 Ca 0.42 -3.76 -0.36 0.00 -0.53 0.00 0.00 54.79 50.56 2h3k n ASP 20 Cb 1.12 -0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 40.90 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2h3k s ILE 21 N -5.30 4.08 -3.14 0.53 1.01 -1.26 -5.00 121.20 112.12 2h3k s ILE 21 Ca 0.50 -3.45 0.00 0.00 0.00 0.00 0.00 60.65 57.70 2h3k s ILE 21 Cb 0.42 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2h3k s ILE 21 CO -0.22 -0.99 0.00 0.61 0.00 0.00 0.00 174.94 174.34 2h3k n GLY 22 N 2.87 0.78 1.79 6.18 0.00 -1.26 -5.10 105.19 110.45 2h3k n GLY 22 Ca 0.15 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.46 -1.56 -3.60 1.61 -0.04 -1.26 -5.08 135.00 124.60 2h3k n PRO 23 Ca 0.00 -0.92 -0.04 0.00 -0.04 0.00 0.00 63.50 62.50 2h3k n PRO 23 Cb 0.00 -0.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 -4.30 0.29 0.12 0.54 1.70 -1.26 -4.53 118.95 111.52 2h3k s ARG 24 Ca 0.36 -0.09 0.01 0.00 -0.47 0.00 0.00 55.73 55.53 2h3k s ARG 24 Cb -0.03 0.13 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 2h3k s ARG 24 CO 0.27 -0.12 0.15 0.39 -1.08 0.00 0.00 175.30 174.90 2h3k n GLU 25 N -0.03 0.21 -3.76 3.89 1.02 0.02 -4.88 120.64 117.10 2h3k n GLU 25 Ca 0.00 -1.09 -0.21 0.00 -0.02 0.00 0.00 57.16 55.84 2h3k n GLU 25 Cb 0.58 0.98 -0.18 0.00 -0.02 0.00 0.00 31.44 32.81 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 -2.37 0.36 0.10 3.49 -2.07 -1.26 -2.53 119.66 115.37 2h3k s GLN 26 Ca 0.12 0.19 0.06 0.00 -1.82 0.00 0.00 55.36 53.91 2h3k s GLN 26 Cb 0.00 -0.77 -0.03 0.00 -1.09 0.00 0.00 33.01 31.12 2h3k s GLN 26 CO 0.09 -0.29 -0.16 0.08 -1.32 0.00 0.00 175.29 173.69 2h3k s VAL 27 N 1.92 1.33 0.29 3.63 1.01 -1.05 -4.92 120.40 122.61 2h3k s VAL 27 Ca 0.03 -1.50 0.06 0.00 0.00 0.00 0.00 61.98 60.57 2h3k s VAL 27 Cb -0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2h3k s VAL 27 CO -0.04 -0.25 0.40 0.21 0.00 0.00 0.00 175.10 175.42 2h3k s ASN 28 N -2.03 6.05 -0.01 3.32 2.47 -1.26 0.16 114.94 123.65 2h3k s ASN 28 Ca 0.04 -0.11 0.03 0.00 0.42 0.00 0.00 52.86 53.24 2h3k s ASN 28 Cb -0.08 -1.48 -0.01 0.00 -1.45 0.00 0.00 41.25 38.23 2h3k s ASN 28 CO 0.03 -0.26 -0.08 0.72 -3.72 0.00 0.00 177.10 173.79 2h3k s PHE 29 N -2.10 0.75 -0.36 0.43 -0.12 -1.26 0.14 117.98 115.45 2h3k s PHE 29 Ca 0.40 -0.14 -0.15 0.00 -0.05 0.00 0.00 56.93 56.99 2h3k s PHE 29 Cb -0.09 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.81 2h3k s PHE 29 CO 0.30 -0.01 0.33 -0.65 -0.05 0.00 0.00 175.22 175.13 2h3k s GLN 30 N -0.19 3.41 -0.26 1.99 1.11 0.18 -4.91 119.66 120.99 2h3k s GLN 30 Ca 0.03 -0.60 -0.27 0.00 0.01 0.00 0.00 55.36 54.52 2h3k s GLN 30 Cb -0.03 -3.85 0.01 0.00 -1.01 0.00 0.00 33.01 28.13 2h3k s GLN 30 CO -0.00 -0.57 0.97 -0.51 0.01 0.00 0.00 175.29 175.19 2h3k s LEU 31 N 1.90 4.06 -0.12 2.90 1.43 -1.26 -1.68 118.68 125.91 2h3k s LEU 31 Ca 0.09 1.15 -0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2h3k s LEU 31 Cb -0.17 -3.40 0.04 0.00 0.03 0.00 0.00 46.19 42.69 2h3k s LEU 31 CO 0.11 -0.67 0.01 -0.76 0.23 0.00 0.00 176.35 175.28 2h3k s LEU 32 N 3.18 0.82 0.00 1.79 1.43 -0.86 -3.95 118.68 121.09 2h3k s LEU 32 Ca 0.41 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2h3k s LEU 32 Cb -0.14 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.57 2h3k s LEU 32 CO 0.09 -0.23 0.00 0.47 0.23 0.00 0.00 176.35 176.90 2h3k n ASP 33 N 5.11 0.00 -1.15 2.29 8.00 -1.26 -1.51 116.55 128.02 2h3k n ASP 33 Ca -0.08 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.46 2h3k n ASP 33 Cb 0.49 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.80 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 2.87 -0.37 -1.24 4.81 -1.26 -3.82 118.16 119.15 2h3k n LYS 34 Ca 0.00 -1.62 0.03 0.00 -0.87 0.00 0.00 58.31 55.84 2h3k n LYS 34 Cb 0.00 -1.81 0.04 0.00 0.02 0.00 0.00 35.03 33.28 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 0.38 0.66 -3.93 3.14 4.13 -1.26 -5.00 115.26 113.38 2h3k n ASN 35 Ca 0.14 -2.30 -0.26 0.00 1.68 0.00 0.00 54.58 53.85 2h3k n ASN 35 Cb 0.68 -0.26 -0.01 0.00 -1.54 0.00 0.00 39.78 38.65 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2h3k n ASN 36 N -0.40 -0.82 -4.09 6.41 3.02 -1.25 -4.92 115.26 113.20 2h3k n ASN 36 Ca 0.04 -0.97 -0.36 0.00 -0.03 0.00 0.00 54.58 53.27 2h3k n ASN 36 Cb 0.68 -3.22 -0.11 0.00 -0.61 0.00 0.00 39.78 36.52 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 -6.49 2.22 0.02 3.52 2.12 -1.26 -4.98 118.70 113.84 2h3k s GLU 37 Ca 0.08 -2.18 -0.30 0.00 0.36 0.00 0.00 54.97 52.93 2h3k s GLU 37 Cb -0.04 -3.61 -0.07 0.00 0.26 0.00 0.00 34.13 30.66 2h3k s GLU 37 CO 0.88 -1.11 1.69 -0.08 -0.54 0.00 0.00 175.26 176.09 2h3k s THR 38 N 0.52 3.25 0.16 -1.70 -1.32 -1.26 -4.41 115.64 110.88 2h3k s THR 38 Ca 0.13 0.52 -0.19 0.00 -1.21 0.00 0.00 61.69 60.94 2h3k s THR 38 Cb -0.22 -3.34 -0.08 0.00 -1.51 0.00 0.00 72.50 67.36 2h3k s THR 38 CO -0.04 -0.02 0.66 -1.10 -2.21 0.00 0.00 174.62 171.91 2h3k s GLN 39 N 3.38 4.23 -0.39 7.08 -0.21 -1.25 -4.97 119.66 127.53 2h3k s GLN 39 Ca 0.75 0.81 0.06 0.00 0.02 0.00 0.00 55.36 57.00 2h3k s GLN 39 Cb -0.38 -3.04 0.59 0.00 1.00 0.00 0.00 33.01 31.19 2h3k s GLN 39 CO 0.32 0.50 1.73 0.98 -2.12 0.00 0.00 175.29 176.70 2h3k n TYR 40 N 1.13 2.26 -4.74 0.91 9.36 -1.26 -4.95 117.16 119.87 2h3k n TYR 40 Ca -0.05 -1.79 -0.33 0.00 3.32 0.00 0.00 57.90 59.04 2h3k n TYR 40 Cb 0.51 -0.77 -0.13 0.00 -0.63 0.00 0.00 39.34 38.31 2h3k n TYR 40 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 2h3k s TYR 41 N -3.30 2.83 -0.95 2.98 2.02 -1.26 -5.03 117.35 114.64 2h3k s TYR 41 Ca 0.52 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2h3k s TYR 41 Cb 0.45 -1.80 0.33 0.00 -0.40 0.00 0.00 41.96 40.54 2h3k s TYR 41 CO 0.06 -0.04 1.72 0.72 -1.57 0.00 0.00 175.55 176.44 2h3k n HIS 42 N 3.11 2.97 -1.79 2.71 8.25 -1.26 -4.54 115.22 124.67 2h3k n HIS 42 Ca -0.18 -2.74 0.04 0.00 -0.26 0.00 0.00 57.72 54.59 2h3k n HIS 42 Cb 0.53 -1.09 0.07 0.00 1.12 0.00 0.00 29.99 30.62 2h3k n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2h3k n PHE 43 N -0.13 0.00 -1.97 4.41 7.35 -1.26 -4.86 117.46 120.99 2h3k n PHE 43 Ca 0.45 -0.60 -0.37 0.00 -0.76 0.00 0.00 57.45 56.17 2h3k n PHE 43 Cb 0.28 -0.13 0.01 0.00 0.35 0.00 0.00 39.48 39.99 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 -0.46 2.59 0.00 -5.13 3.01 -1.26 -4.91 117.46 111.30 2h3k n PHE 44 Ca 0.08 -2.32 0.00 0.00 1.01 0.00 0.00 57.45 56.22 2h3k n PHE 44 Cb 0.77 -1.29 0.00 0.00 -0.01 0.00 0.00 39.48 38.95 2h3k n PHE 44 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2h3k n SER 45 N 0.07 0.00 -4.55 4.37 2.88 -1.26 -4.84 113.62 110.29 2h3k n SER 45 Ca 0.52 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.74 2h3k n SER 45 Cb 0.31 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.91 2h3k n SER 45 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2h3k n ILE 46 N 0.00 0.15 0.00 2.46 -0.00 -1.26 -2.09 119.36 118.62 2h3k n ILE 46 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 2h3k n ILE 46 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 38.80 2h3k n ILE 46 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2h3k n LYS 47 N -3.00 0.00 -2.30 0.38 4.81 -1.17 -4.72 118.16 112.16 2h3k n LYS 47 Ca 0.10 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.27 2h3k n LYS 47 Cb 0.53 -0.09 0.04 0.00 0.02 0.00 0.00 35.03 35.52 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 -1.37 5.42 0.42 3.14 1.01 -1.26 -5.04 116.67 118.99 2h3k s ASP 48 Ca 0.00 0.70 -0.24 0.00 0.71 0.00 0.00 52.55 53.72 2h3k s ASP 48 Cb 0.00 -1.60 -0.08 0.00 1.01 0.00 0.00 42.92 42.24 2h3k s ASP 48 CO 0.00 -1.20 1.10 -2.16 0.21 0.00 0.00 175.17 173.12 2h3k s PRO 49 N -5.08 4.03 -0.96 8.23 0.04 -1.26 -4.62 135.00 135.38 2h3k s PRO 49 Ca 0.56 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 2h3k s PRO 49 Cb -0.11 -2.52 -0.17 0.00 0.04 0.00 0.00 34.50 31.74 2h3k s PRO 49 CO 0.46 -0.28 2.21 0.00 0.04 0.00 0.00 177.00 179.43 2h3k s ALA 50 N -1.59 0.73 1.16 8.56 0.00 0.43 -4.50 121.76 126.56 2h3k s ALA 50 Ca 0.59 -1.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 2h3k s ALA 50 Cb -0.25 -4.64 0.21 0.00 0.00 0.00 0.00 23.12 18.44 2h3k s ALA 50 CO 0.31 -6.25 0.57 -0.25 0.00 0.00 0.00 175.76 170.14 2h3k n ASP 51 N 18.52 -2.06 -3.72 0.00 9.92 -0.35 -2.52 116.55 136.34 2h3k n ASP 51 Ca 0.44 -0.15 -0.17 0.00 -0.53 0.00 0.00 54.79 54.38 2h3k n ASP 51 Cb 0.45 -1.12 -0.16 0.00 -0.64 0.00 0.00 41.12 39.64 2h3k n ASP 51 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2h3k s VAL 52 N -2.33 -0.10 -0.89 2.53 1.01 -1.05 0.28 120.40 119.86 2h3k s VAL 52 Ca 0.63 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 2h3k s VAL 52 Cb -0.20 -0.15 0.23 0.00 0.00 0.00 0.00 36.38 36.27 2h3k s VAL 52 CO 0.66 0.13 0.82 -0.31 0.00 0.00 0.00 175.10 176.39 2h3k s TYR 53 N 1.61 3.87 0.27 5.22 1.51 0.41 -0.80 117.35 129.43 2h3k s TYR 53 Ca -0.03 -2.41 -0.30 0.00 -1.01 0.00 0.00 57.07 53.32 2h3k s TYR 53 Cb -0.12 -3.67 -0.10 0.00 -0.11 0.00 0.00 41.96 37.96 2h3k s TYR 53 CO -0.04 -0.93 1.43 0.71 -1.11 0.00 0.00 175.55 175.62 2h3k s TYR 54 N -0.44 2.98 0.00 2.71 2.02 -1.26 -2.34 117.35 121.02 2h3k s TYR 54 Ca 0.22 1.08 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 2h3k s TYR 54 Cb -0.11 -3.82 0.00 0.00 -0.40 0.00 0.00 41.96 37.62 2h3k s TYR 54 CO -0.08 -2.61 0.00 0.25 -1.57 0.00 0.00 175.55 171.54 2h3k n THR 55 N 1.96 0.00 0.14 -0.71 -2.24 -1.24 -4.46 114.28 107.73 2h3k n THR 55 Ca 0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 2h3k n THR 55 Cb 0.40 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.94 -3.37 116.57 112.57 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 0.57 0.00 1.63 -2.00 0.00 0.00 179.45 179.65 2h3k n LYS 57 N -3.45 0.00 -3.58 0.07 5.02 -1.26 -5.05 118.16 109.91 2h3k n LYS 57 Ca 0.00 0.45 -0.11 0.00 -2.02 0.00 0.00 58.31 56.64 2h3k n LYS 57 Cb 0.68 -0.95 -0.03 0.00 -0.02 0.00 0.00 35.03 34.71 2h3k n LYS 57 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2h3k s LYS 58 N -0.93 1.36 0.45 1.97 2.47 -1.26 -5.08 119.74 118.72 2h3k s LYS 58 Ca 0.00 -0.66 -0.25 0.00 -1.56 0.00 0.00 55.97 53.50 2h3k s LYS 58 Cb 0.00 0.57 -0.08 0.00 -1.46 0.00 0.00 37.83 36.85 2h3k s LYS 58 CO 0.00 -0.59 1.41 0.00 0.16 0.00 0.00 175.35 176.33 2h3k s ALA 59 N -3.81 3.24 -0.30 3.13 0.00 -1.26 -3.72 121.76 119.03 2h3k s ALA 59 Ca 0.04 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.45 2h3k s ALA 59 Cb -0.02 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.62 2h3k s ALA 59 CO -0.08 -1.14 0.03 -1.21 0.00 0.00 0.00 175.76 173.36 2h3k s GLU 60 N -2.43 1.35 0.79 0.00 2.02 -0.99 -2.12 118.70 117.32 2h3k s GLU 60 Ca 0.61 -1.44 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 2h3k s GLU 60 Cb -0.43 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.14 2h3k s GLU 60 CO 0.55 -0.86 1.09 0.08 0.02 0.00 0.00 175.26 176.14 2h3k s VAL 61 N 1.21 3.28 -0.12 2.63 1.01 -0.55 0.15 120.40 128.02 2h3k s VAL 61 Ca 0.06 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 2h3k s VAL 61 Cb -0.19 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.23 2h3k s VAL 61 CO -0.12 -0.54 0.28 -0.70 0.00 0.00 0.00 175.10 174.02 2h3k s GLU 62 N -4.99 0.24 -0.06 2.72 -6.30 0.14 -2.68 118.70 107.77 2h3k s GLU 62 Ca 0.61 0.61 0.04 0.00 -2.50 0.00 0.00 54.97 53.73 2h3k s GLU 62 Cb -0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 34.13 33.86 2h3k s GLU 62 CO 0.56 -0.17 -0.19 -0.51 0.02 0.00 0.00 175.26 174.96 2h3k s LEU 63 N 1.41 2.43 -0.31 2.70 1.43 -1.13 -1.21 118.68 124.01 2h3k s LEU 63 Ca -0.08 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 2h3k s LEU 63 Cb -0.10 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2h3k s LEU 63 CO -0.09 0.29 0.41 -1.81 0.23 0.00 0.00 176.35 175.37 2h3k s ASP 64 N -0.40 6.26 0.21 2.29 1.11 -1.26 -3.09 116.67 121.79 2h3k s ASP 64 Ca 0.04 0.09 -0.03 0.00 0.18 0.00 0.00 52.55 52.84 2h3k s ASP 64 Cb -0.12 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.60 2h3k s ASP 64 CO 0.02 -0.30 0.42 -0.63 1.18 0.00 0.00 175.17 175.86 2h3k s ILE 65 N 2.15 5.15 -0.04 0.77 1.09 0.82 -3.06 121.20 128.07 2h3k s ILE 65 Ca 0.15 -0.17 0.05 0.00 -1.10 0.00 0.00 60.65 59.58 2h3k s ILE 65 Cb -0.16 -3.71 -0.08 0.00 -1.06 0.00 0.00 42.46 37.46 2h3k s ILE 65 CO 0.11 -0.16 0.06 -3.20 -0.10 0.00 0.00 174.94 171.65 2h3k n ASN 66 N -0.54 3.67 -2.91 3.58 5.15 -0.89 -1.36 115.26 121.96 2h3k n ASN 66 Ca -0.03 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.64 2h3k n ASN 66 Cb 0.53 0.86 -0.01 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 3.41 0.19 -0.44 -2.24 -1.24 -4.15 114.28 107.79 2h3k n THR 67 Ca -0.06 -5.31 0.18 0.00 -2.27 0.00 0.00 64.05 56.59 2h3k n THR 67 Cb 0.48 -1.37 0.82 0.00 -2.10 0.00 0.00 70.33 68.17 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 3.06 1.82 0.00 6.98 0.00 -1.79 0.18 119.26 129.51 2h3k h ALA 68 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2h3k h ALA 68 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2h3k h ALA 68 CO 0.95 -0.38 0.00 0.43 0.00 0.00 0.00 179.25 180.26 2h3k n SER 69 N -3.70 0.00 -0.43 0.00 7.64 -1.26 -2.48 113.62 113.40 2h3k n SER 69 Ca 0.03 0.39 0.04 0.00 1.01 0.00 0.00 58.87 60.34 2h3k n SER 69 Cb 0.39 -0.45 0.09 0.00 -1.01 0.00 0.00 64.21 63.23 2h3k n SER 69 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2h3k n THR 70 N -1.45 0.64 -3.30 0.44 -2.24 0.62 -4.97 114.28 104.03 2h3k n THR 70 Ca 0.05 -0.82 -0.39 0.00 -2.27 0.00 0.00 64.05 60.62 2h3k n THR 70 Cb 0.17 0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.89 3.32 -0.01 4.78 0.52 -1.03 -3.08 118.94 122.54 2h3k s TRP 71 Ca 0.15 0.63 -0.01 0.00 0.02 0.00 0.00 56.10 56.89 2h3k s TRP 71 Cb 0.08 -2.64 -0.00 0.00 -1.15 0.00 0.00 33.47 29.76 2h3k s TRP 71 CO 0.11 -0.16 -0.02 1.17 0.02 0.00 0.00 176.95 178.07 2h3k n LYS 72 N 5.05 0.05 -4.59 4.98 3.00 -1.25 -2.42 118.16 122.98 2h3k n LYS 72 Ca -0.06 0.22 -0.27 0.00 -0.00 0.00 0.00 58.31 58.20 2h3k n LYS 72 Cb 0.50 -0.78 -0.09 0.00 0.00 0.00 0.00 35.03 34.66 2h3k n LYS 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2h3k s LYS 73 N -1.13 1.96 -0.29 1.64 -2.85 -1.26 0.01 119.74 117.81 2h3k s LYS 73 Ca -0.02 -2.19 -0.16 0.00 -1.00 0.00 0.00 55.97 52.60 2h3k s LYS 73 Cb 0.00 -1.05 0.18 0.00 -2.06 0.00 0.00 37.83 34.91 2h3k s LYS 73 CO 0.03 -0.34 1.14 0.12 0.10 0.00 0.00 175.35 176.40 2h3k s PHE 74 N -3.07 -0.29 -0.39 1.78 5.36 -1.24 -4.25 117.98 115.88 2h3k s PHE 74 Ca 0.22 0.57 0.05 0.00 -0.96 0.00 0.00 56.93 56.82 2h3k s PHE 74 Cb 0.04 0.18 0.18 0.00 -0.34 0.00 0.00 43.02 43.09 2h3k s PHE 74 CO 0.12 -0.14 0.69 -2.00 -1.46 0.00 0.00 175.22 172.43 2h3k s GLU 75 N 1.14 0.70 0.73 10.12 2.12 -1.02 -4.56 118.70 127.93 2h3k s GLU 75 Ca -0.08 -0.16 -0.15 0.00 0.36 0.00 0.00 54.97 54.93 2h3k s GLU 75 Cb -0.03 0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.50 2h3k s GLU 75 CO -0.12 -1.04 1.22 0.08 -0.54 0.00 0.00 175.26 174.86 2h3k s VAL 76 N 1.96 2.25 -0.10 3.70 1.01 -1.25 -3.88 120.40 124.10 2h3k s VAL 76 Ca 0.15 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2h3k s VAL 76 Cb -0.03 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2h3k s VAL 76 CO -0.10 -0.06 0.27 -0.72 0.00 0.00 0.00 175.10 174.49 2h3k s TYR 77 N -1.94 -0.29 0.02 5.22 -0.85 0.19 -0.05 117.35 119.65 2h3k s TYR 77 Ca 0.75 0.69 0.02 0.00 -0.52 0.00 0.00 57.07 58.01 2h3k s TYR 77 Cb -0.30 0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.13 2h3k s TYR 77 CO 0.45 -0.16 -0.06 -1.83 -1.52 0.00 0.00 175.55 172.44 2h3k s GLU 78 N 0.04 0.41 0.00 -3.49 -1.05 -0.99 0.65 118.70 114.28 2h3k s GLU 78 Ca -0.01 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 2h3k s GLU 78 Cb -0.02 -0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.41 2h3k s GLU 78 CO 0.01 0.05 0.00 -1.71 0.95 0.00 0.00 175.26 174.56 2h3k n ASN 79 N 2.15 0.00 -1.75 0.83 5.15 -1.26 -2.55 115.26 117.83 2h3k n ASN 79 Ca -0.18 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.79 2h3k n ASN 79 Cb 0.56 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.85 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2h3k n ASN 80 N 1.42 -0.51 -3.67 1.20 5.15 -1.26 -5.14 115.26 112.46 2h3k n ASN 80 Ca 0.00 -1.34 -0.09 0.00 -0.60 0.00 0.00 54.58 52.55 2h3k n ASN 80 Cb 0.00 0.23 -0.09 0.00 -0.53 0.00 0.00 39.78 39.39 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 0.04 0.55 -0.21 1.20 0.74 -1.06 -5.13 119.66 115.80 2h3k s GLN 81 Ca 0.03 1.01 -0.22 0.00 0.05 0.00 0.00 55.36 56.23 2h3k s GLN 81 Cb 0.14 0.06 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 2h3k s GLN 81 CO -0.04 -0.15 0.68 0.15 -0.55 0.00 0.00 175.29 175.38 2h3k s LYS 82 N 1.51 4.20 0.14 1.67 1.02 -1.26 -2.34 119.74 124.68 2h3k s LYS 82 Ca -0.10 0.70 -0.24 0.00 0.02 0.00 0.00 55.97 56.36 2h3k s LYS 82 Cb -0.07 -3.60 -0.08 0.00 -0.52 0.00 0.00 37.83 33.57 2h3k s LYS 82 CO -0.16 -0.32 0.71 -0.51 -0.92 0.00 0.00 175.35 174.15 2h3k s LEU 83 N 2.17 4.57 -0.24 3.17 1.43 0.93 -4.95 118.68 125.76 2h3k s LEU 83 Ca 0.30 1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 54.64 2h3k s LEU 83 Cb -0.16 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2h3k s LEU 83 CO 0.10 0.23 1.36 -2.16 0.23 0.00 0.00 176.35 176.11 2h3k s PRO 84 N -1.13 3.98 0.05 1.29 0.04 -1.26 -3.85 135.00 134.12 2h3k s PRO 84 Ca 0.34 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2h3k s PRO 84 Cb -0.22 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 2h3k s PRO 84 CO 0.24 -1.04 1.10 0.54 0.04 0.00 0.00 177.00 177.88 2h3k s VAL 85 N 4.29 4.36 0.37 -0.36 0.11 -1.26 -4.85 120.40 123.06 2h3k s VAL 85 Ca 0.59 1.73 0.08 0.00 -2.93 0.00 0.00 61.98 61.45 2h3k s VAL 85 Cb -0.20 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.50 2h3k s VAL 85 CO 0.22 0.15 0.21 0.00 -3.33 0.00 0.00 175.10 172.35 2h3k s ARG 86 N 0.88 2.39 -0.12 1.54 1.70 -0.95 -4.88 118.95 119.51 2h3k s ARG 86 Ca 0.55 -1.60 0.02 0.00 -0.47 0.00 0.00 55.73 54.23 2h3k s ARG 86 Cb -0.26 -2.18 -0.00 0.00 -0.57 0.00 0.00 34.95 31.93 2h3k s ARG 86 CO 0.29 -0.00 -0.20 -0.51 -1.08 0.00 0.00 175.30 173.80 2h3k s LEU 87 N -3.92 2.33 -0.08 -1.89 1.02 -1.26 -0.60 118.68 114.28 2h3k s LEU 87 Ca 0.41 -0.48 0.12 0.00 0.02 0.00 0.00 54.13 54.20 2h3k s LEU 87 Cb -0.01 -1.49 -0.23 0.00 0.02 0.00 0.00 46.19 44.47 2h3k s LEU 87 CO 0.24 0.15 0.54 1.33 0.02 0.00 0.00 176.35 178.63 2h3k n VAL 88 N 3.58 1.59 -3.70 -1.59 0.24 -1.05 -4.96 118.33 112.44 2h3k n VAL 88 Ca -0.19 -0.79 -0.06 0.00 -2.04 0.00 0.00 64.34 61.26 2h3k n VAL 88 Cb 0.53 -1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 31.86 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2h3k s SER 89 N -6.09 -0.28 -0.13 -1.34 0.01 -1.26 -4.78 113.70 99.84 2h3k s SER 89 Ca -0.07 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.80 2h3k s SER 89 Cb 0.08 0.54 0.06 0.00 0.21 0.00 0.00 66.02 66.91 2h3k s SER 89 CO 0.82 -0.97 0.28 -0.47 0.41 0.00 0.00 173.24 173.31 2h3k s TYR 90 N -3.46 -0.44 0.54 2.43 5.04 0.01 -2.17 117.35 119.30 2h3k s TYR 90 Ca 0.09 0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 55.52 2h3k s TYR 90 Cb -0.02 0.05 -0.06 0.00 0.35 0.00 0.00 41.96 42.27 2h3k s TYR 90 CO -0.00 -0.32 1.10 0.45 -1.34 0.00 0.00 175.55 175.43 2h3k s SER 91 N 1.96 5.83 0.89 4.32 0.15 0.15 -2.20 113.70 124.81 2h3k s SER 91 Ca -0.03 2.09 -0.12 0.00 0.70 0.00 0.00 55.95 58.59 2h3k s SER 91 Cb -0.11 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.75 2h3k s SER 91 CO -0.09 -1.14 1.09 -2.16 1.20 0.00 0.00 173.24 172.14 2h3k s PRO 92 N -3.37 1.30 0.11 5.44 0.04 -1.26 -4.09 135.00 133.18 2h3k s PRO 92 Ca 0.71 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2h3k s PRO 92 Cb -0.21 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2h3k s PRO 92 CO 0.27 -2.21 0.79 0.28 0.04 0.00 0.00 177.00 176.17 2h3k n VAL 93 N -3.86 -0.29 -0.16 -0.36 0.31 -1.26 0.10 118.33 112.82 2h3k n VAL 93 Ca 0.07 1.20 0.06 0.00 -0.01 0.00 0.00 64.34 65.66 2h3k n VAL 93 Cb 0.55 -1.56 0.36 0.00 -0.91 0.00 0.00 33.84 32.28 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 0.72 0.04 5.55 0.13 -2.04 -2.25 132.00 134.15 2h3k h PRO 94 Ca 0.15 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.95 2h3k h PRO 94 Cb 0.28 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.21 2h3k h PRO 94 CO -0.50 0.48 -1.62 0.93 -0.23 0.00 0.00 178.00 177.06 2h3k h GLU 95 N 0.74 0.08 -3.34 0.86 3.07 0.39 -3.47 114.58 112.91 2h3k h GLU 95 Ca 0.29 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.89 2h3k h GLU 95 Cb 0.20 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2h3k h GLU 95 CO -0.09 0.77 -0.14 -3.47 -1.40 0.00 0.00 179.01 174.67 2h3k n ASP 96 N -3.22 -2.14 -4.75 1.42 2.03 0.18 -4.89 116.55 105.18 2h3k n ASP 96 Ca -0.16 0.27 -0.36 0.00 0.52 0.00 0.00 54.79 55.05 2h3k n ASP 96 Cb 1.03 -2.03 -0.07 0.00 -0.72 0.00 0.00 41.12 39.34 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 -2.00 3.49 0.20 -0.67 3.76 -1.26 -2.61 115.29 116.19 2h3k s HIS 97 Ca 0.00 0.59 0.08 0.00 -0.15 0.00 0.00 55.06 55.58 2h3k s HIS 97 Cb 0.00 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 2h3k s HIS 97 CO 0.00 0.32 -0.00 0.00 -0.85 0.00 0.00 174.74 174.21 2h3k s ALA 98 N 0.21 3.19 -0.06 -1.40 0.00 -0.46 0.34 121.76 123.58 2h3k s ALA 98 Ca 0.16 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.69 2h3k s ALA 98 Cb -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2h3k s ALA 98 CO 0.04 0.42 -0.07 0.71 0.00 0.00 0.00 175.76 176.86 2h3k s TYR 99 N -1.88 0.98 0.33 0.00 2.02 -0.92 -0.13 117.35 117.75 2h3k s TYR 99 Ca 0.28 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.69 2h3k s TYR 99 Cb -0.09 -0.82 -0.06 0.00 -0.40 0.00 0.00 41.96 40.59 2h3k s TYR 99 CO 0.19 -0.24 0.06 0.96 -1.57 0.00 0.00 175.55 174.94 2h3k s ILE 100 N 0.96 1.23 -0.19 2.71 -5.25 -1.18 -2.54 121.20 116.94 2h3k s ILE 100 Ca -0.10 -2.00 -0.23 0.00 -0.99 0.00 0.00 60.65 57.33 2h3k s ILE 100 Cb -0.14 -2.80 0.06 0.00 2.95 0.00 0.00 42.46 42.52 2h3k s ILE 100 CO 0.00 -0.00 0.61 -0.13 -1.79 0.00 0.00 174.94 173.63 2h3k s ARG 101 N -3.88 0.78 0.01 0.37 0.52 0.24 -2.85 118.95 114.12 2h3k s ARG 101 Ca 0.36 0.70 -0.05 0.00 -0.52 0.00 0.00 55.73 56.23 2h3k s ARG 101 Cb 0.09 0.37 -0.00 0.00 0.52 0.00 0.00 34.95 35.93 2h3k s ARG 101 CO 0.16 -0.13 0.09 -0.59 0.02 0.00 0.00 175.30 174.84 2h3k s PHE 102 N -0.02 0.10 0.42 -0.53 -0.71 -1.09 -2.24 117.98 113.90 2h3k s PHE 102 Ca -0.03 -0.22 -0.24 0.00 -1.04 0.00 0.00 56.93 55.40 2h3k s PHE 102 Cb -0.04 -0.08 -0.08 0.00 -1.21 0.00 0.00 43.02 41.61 2h3k s PHE 102 CO 0.03 -0.25 1.12 -1.25 -1.34 0.00 0.00 175.22 173.53 2h3k s PRO 103 N -1.32 4.00 -0.34 1.99 0.04 -1.26 -1.49 135.00 136.62 2h3k s PRO 103 Ca -0.14 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 2h3k s PRO 103 Cb -0.08 -2.53 0.14 0.00 0.04 0.00 0.00 34.50 32.07 2h3k s PRO 103 CO 0.01 -0.32 0.23 0.14 0.04 0.00 0.00 177.00 177.09 2h3k s VAL 104 N -1.56 0.02 0.49 -0.36 -7.23 -0.90 -4.91 120.40 105.95 2h3k s VAL 104 Ca 0.60 -1.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2h3k s VAL 104 Cb -0.26 -1.03 0.10 0.00 0.56 0.00 0.00 36.38 35.75 2h3k s VAL 104 CO 0.33 -0.88 0.68 -1.54 -0.31 0.00 0.00 175.10 173.37 2h3k n SER 105 N 4.27 1.04 -1.68 4.85 3.41 -1.26 -4.30 113.62 119.95 2h3k n SER 105 Ca 0.09 -1.85 -0.16 0.00 -0.26 0.00 0.00 58.87 56.70 2h3k n SER 105 Cb 0.39 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 2h3k n SER 105 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2h3k n ASP 106 N -2.86 -4.23 -1.71 4.04 -0.08 -1.26 -0.58 116.55 109.87 2h3k n ASP 106 Ca 0.12 0.32 -0.16 0.00 -1.51 0.00 0.00 54.79 53.56 2h3k n ASP 106 Cb 0.42 -3.78 -0.01 0.00 2.34 0.00 0.00 41.12 40.08 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 -0.43 -0.06 3.19 0.27 0.00 -1.19 -4.78 105.19 102.20 2h3k n GLY 107 Ca -0.16 -0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.84 0.00 0.55 2.61 -1.04 0.25 -3.24 114.28 109.58 2h3k n THR 108 Ca -0.18 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.88 2h3k n THR 108 Cb 0.63 -0.47 -0.06 0.00 -1.82 0.00 0.00 70.33 68.60 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 7.60 3.07 -3.78 -2.82 7.27 -1.26 -3.62 117.38 123.83 2h3k n GLN 109 Ca 0.58 -0.04 -0.18 0.00 0.07 0.00 0.00 57.00 57.43 2h3k n GLN 109 Cb 0.00 -1.06 -0.17 0.00 2.41 0.00 0.00 30.24 31.42 2h3k n GLN 109 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2h3k s GLU 110 N -2.07 0.14 0.05 3.69 2.02 -1.26 0.17 118.70 121.43 2h3k s GLU 110 Ca 0.05 0.21 -0.02 0.00 0.02 0.00 0.00 54.97 55.23 2h3k s GLU 110 Cb 0.09 -0.51 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 2h3k s GLU 110 CO 0.47 -0.23 -0.00 -0.48 0.02 0.00 0.00 175.26 175.04 2h3k s LEU 111 N 1.56 2.32 -0.13 1.80 2.34 -0.89 -4.80 118.68 120.88 2h3k s LEU 111 Ca -0.02 -0.90 -0.07 0.00 0.06 0.00 0.00 54.13 53.19 2h3k s LEU 111 Cb -0.13 0.30 -0.04 0.00 -0.56 0.00 0.00 46.19 45.76 2h3k s LEU 111 CO -0.03 -0.59 0.12 -0.54 -1.06 0.00 0.00 176.35 174.25 2h3k s LYS 112 N -3.68 3.55 0.08 1.48 3.01 0.21 -1.28 119.74 123.11 2h3k s LYS 112 Ca 0.05 -0.19 0.02 0.00 -1.01 0.00 0.00 55.97 54.84 2h3k s LYS 112 Cb 0.06 -3.19 -0.04 0.00 -1.01 0.00 0.00 37.83 33.65 2h3k s LYS 112 CO -0.09 0.65 0.11 0.42 0.51 0.00 0.00 175.35 176.95 2h3k s ILE 113 N -0.68 4.71 -0.13 2.17 1.01 -0.41 0.54 121.20 128.43 2h3k s ILE 113 Ca 0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 2h3k s ILE 113 Cb -0.12 -3.28 0.04 0.00 0.01 0.00 0.00 42.46 39.12 2h3k s ILE 113 CO 0.02 0.12 0.04 -0.69 0.00 0.00 0.00 174.94 174.44 2h3k s VAL 114 N -1.42 0.27 0.07 2.92 1.01 -1.25 -2.72 120.40 119.27 2h3k s VAL 114 Ca 0.31 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2h3k s VAL 114 Cb -0.12 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.69 2h3k s VAL 114 CO 0.23 -0.01 1.18 -0.94 0.00 0.00 0.00 175.10 175.56 2h3k s SER 115 N 1.99 -0.01 -0.28 3.32 1.04 -1.19 -2.44 113.70 116.14 2h3k s SER 115 Ca 0.02 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2h3k s SER 115 Cb -0.15 0.30 0.17 0.00 0.10 0.00 0.00 66.02 66.45 2h3k s SER 115 CO -0.07 -0.59 0.50 -0.55 0.98 0.00 0.00 173.24 173.51 2h3k s SER 116 N -3.51 -0.60 0.02 7.02 0.15 -1.26 0.15 113.70 115.67 2h3k s SER 116 Ca 0.24 0.16 -0.00 0.00 0.70 0.00 0.00 55.95 57.05 2h3k s SER 116 Cb -0.01 1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 65.87 2h3k s SER 116 CO 0.01 -0.31 0.13 0.42 1.20 0.00 0.00 173.24 174.69 2h3k s THR 117 N 2.69 4.99 -0.06 6.45 -4.23 -0.67 -3.83 115.64 120.99 2h3k s THR 117 Ca 0.13 -0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2h3k s THR 117 Cb -0.13 -3.34 0.03 0.00 1.34 0.00 0.00 72.50 70.40 2h3k s THR 117 CO -0.24 0.28 0.02 -1.58 -0.54 0.00 0.00 174.62 172.55 2h3k s GLN 118 N -2.01 0.36 -0.21 3.99 0.74 -1.18 -2.05 119.66 119.31 2h3k s GLN 118 Ca 0.27 0.18 0.15 0.00 0.05 0.00 0.00 55.36 56.02 2h3k s GLN 118 Cb -0.12 -0.77 0.67 0.00 1.10 0.00 0.00 33.01 33.89 2h3k s GLN 118 CO 0.19 -0.29 1.59 -0.89 -0.55 0.00 0.00 175.29 175.33 2h3k n ILE 119 N 5.05 2.54 -3.79 -2.34 -0.00 -1.26 -4.83 119.36 114.73 2h3k n ILE 119 Ca -0.08 -1.68 -0.27 0.00 -0.00 0.00 0.00 62.75 60.71 2h3k n ILE 119 Cb 0.50 -0.27 0.02 0.00 -0.00 0.00 0.00 39.64 39.88 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 -0.02 -2.45 -0.02 4.38 9.92 -1.26 -4.88 116.55 122.23 2h3k n ASP 120 Ca 0.25 -0.97 -0.02 0.00 -0.53 0.00 0.00 54.79 53.52 2h3k n ASP 120 Cb 1.05 -3.39 -0.03 0.00 -0.64 0.00 0.00 41.12 38.12 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 -2.88 4.03 0.12 -2.24 9.92 -1.26 -5.02 116.55 119.21 2h3k n ASP 121 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 2h3k n ASP 121 Cb 0.65 0.61 0.00 0.00 -0.64 0.00 0.00 41.12 41.74 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 2.74 -1.64 3.08 0.44 0.00 -1.26 -5.15 105.19 103.40 2h3k n GLY 122 Ca -0.06 0.49 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.96 0.59 -0.06 1.61 2.02 -1.26 -5.13 118.70 114.51 2h3k s GLU 123 Ca 0.00 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 53.54 2h3k s GLU 123 Cb 0.00 0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 2h3k s GLU 123 CO 0.00 -0.11 0.97 -2.00 0.02 0.00 0.00 175.26 174.14 2h3k s GLU 124 N -3.71 4.48 -0.50 1.61 2.12 -1.26 -4.79 118.70 116.65 2h3k s GLU 124 Ca 0.05 1.35 -0.25 0.00 0.36 0.00 0.00 54.97 56.48 2h3k s GLU 124 Cb 0.06 -3.50 0.03 0.00 0.26 0.00 0.00 34.13 30.99 2h3k s GLU 124 CO -0.09 -0.17 0.94 0.99 -0.54 0.00 0.00 175.26 176.39 2h3k s THR 125 N 1.50 4.42 -0.47 -1.70 2.01 -0.87 -5.00 115.64 115.53 2h3k s THR 125 Ca 0.49 0.56 -0.13 0.00 0.31 0.00 0.00 61.69 62.92 2h3k s THR 125 Cb -0.19 -4.49 0.09 0.00 0.01 0.00 0.00 72.50 67.92 2h3k s THR 125 CO 0.22 -0.98 0.36 0.21 -0.69 0.00 0.00 174.62 173.75 2h3k s ASN 126 N 2.53 5.93 -1.11 3.53 3.84 -1.26 -1.67 114.94 126.73 2h3k s ASN 126 Ca 0.34 -1.56 -0.10 0.00 0.21 0.00 0.00 52.86 51.75 2h3k s ASN 126 Cb -0.11 -2.10 -0.07 0.00 -0.55 0.00 0.00 41.25 38.42 2h3k s ASN 126 CO 0.23 -0.66 2.28 -1.22 -2.79 0.00 0.00 177.10 174.95 2h3k n TYR 127 N 5.08 1.92 -0.33 0.43 4.01 0.39 -4.65 117.16 124.01 2h3k n TYR 127 Ca -0.11 -2.30 0.13 0.00 -0.16 0.00 0.00 57.90 55.46 2h3k n TYR 127 Cb 0.42 -1.96 0.31 0.00 -0.31 0.00 0.00 39.34 37.81 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 6.27 0.59 -1.79 7.72 3.58 -1.86 -3.14 116.42 127.78 2h3k h ASP 128 Ca 0.58 0.12 -0.19 0.00 0.42 0.00 0.00 57.03 57.95 2h3k h ASP 128 Cb 0.33 0.03 -0.29 0.00 1.72 0.00 0.00 39.33 41.12 2h3k h ASP 128 CO 1.66 0.16 -0.53 -0.47 -2.88 0.00 0.00 179.24 177.18 2h3k s TYR 129 N -5.87 -0.91 -0.39 0.28 5.04 -1.26 -4.81 117.35 109.42 2h3k s TYR 129 Ca -0.11 0.42 -0.03 0.00 -2.44 0.00 0.00 57.07 54.90 2h3k s TYR 129 Cb 0.25 -0.14 0.10 0.00 0.35 0.00 0.00 41.96 42.52 2h3k s TYR 129 CO 0.79 -0.91 0.17 0.99 -1.34 0.00 0.00 175.55 175.25 2h3k s THR 130 N 2.53 3.27 -0.71 4.34 2.01 -1.10 -4.37 115.64 121.60 2h3k s THR 130 Ca 0.10 -1.92 -0.26 0.00 0.31 0.00 0.00 61.69 59.92 2h3k s THR 130 Cb -0.13 -3.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 2h3k s THR 130 CO -0.27 -0.58 1.66 -0.75 -0.69 0.00 0.00 174.62 173.99 2h3k s LYS 131 N 1.17 2.86 -0.47 4.92 2.20 -0.57 -1.28 119.74 128.56 2h3k s LYS 131 Ca 0.06 0.12 -0.18 0.00 -0.36 0.00 0.00 55.97 55.61 2h3k s LYS 131 Cb -0.22 -4.47 0.05 0.00 -1.51 0.00 0.00 37.83 31.68 2h3k s LYS 131 CO -0.03 -2.59 0.51 -1.17 -0.36 0.00 0.00 175.35 171.71 2h3k s LEU 132 N 7.87 5.13 -0.45 5.43 0.20 -0.41 -2.04 118.68 134.42 2h3k s LEU 132 Ca 0.56 -0.97 -0.19 0.00 0.69 0.00 0.00 54.13 54.22 2h3k s LEU 132 Cb -0.10 -2.36 0.03 0.00 -0.43 0.00 0.00 46.19 43.34 2h3k s LEU 132 CO 0.14 -0.74 0.55 -0.69 -0.29 0.00 0.00 176.35 175.32 2h3k s VAL 133 N 2.22 4.95 1.01 1.68 1.01 -0.67 -2.10 120.40 128.49 2h3k s VAL 133 Ca 0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 2h3k s VAL 133 Cb -0.20 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2h3k s VAL 133 CO 0.11 -0.57 -0.06 0.49 0.00 0.00 0.00 175.10 175.07 2h3k n PHE 134 N 5.95 -2.00 0.16 5.22 3.72 0.44 -0.64 117.46 130.30 2h3k n PHE 134 Ca -0.05 0.20 0.04 0.00 -0.05 0.00 0.00 57.45 57.59 2h3k n PHE 134 Cb 0.47 -1.63 0.15 0.00 -0.94 0.00 0.00 39.48 37.53 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 -1.58 0.78 -2.76 4.37 0.00 0.92 -3.43 119.26 117.57 2h3k h ALA 135 Ca -0.46 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 2h3k h ALA 135 Cb 1.32 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 2h3k h ALA 135 CO 0.33 0.58 -0.15 0.15 0.00 0.00 0.00 179.25 180.15 2h3k s LYS 136 N -3.20 1.31 0.18 0.00 1.02 -1.26 -4.99 119.74 112.80 2h3k s LYS 136 Ca 0.02 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 54.64 2h3k s LYS 136 Cb 0.09 0.45 -0.08 0.00 -0.52 0.00 0.00 37.83 37.77 2h3k s LYS 136 CO 0.72 -0.52 1.24 -1.25 -0.92 0.00 0.00 175.35 174.62 2h3k s PRO 137 N -3.94 4.45 -0.52 -1.68 0.04 -1.26 -4.65 135.00 127.44 2h3k s PRO 137 Ca 0.15 1.92 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 2h3k s PRO 137 Cb 0.01 -3.24 0.06 0.00 0.04 0.00 0.00 34.50 31.38 2h3k s PRO 137 CO 0.01 -0.16 0.67 0.42 0.04 0.00 0.00 177.00 177.97 2h3k s ILE 138 N 0.14 4.82 -0.07 0.56 -1.09 -1.20 -4.92 121.20 119.42 2h3k s ILE 138 Ca 0.55 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 2h3k s ILE 138 Cb -0.34 -4.35 -0.02 0.00 -1.58 0.00 0.00 42.46 36.18 2h3k s ILE 138 CO 0.36 -0.88 -0.17 -0.31 -1.23 0.00 0.00 174.94 172.71 2h3k s TYR 139 N 2.78 2.66 0.82 3.97 2.02 -1.26 -3.15 117.35 125.19 2h3k s TYR 139 Ca 0.16 -0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 2h3k s TYR 139 Cb -0.19 -1.68 0.09 0.00 -0.40 0.00 0.00 41.96 39.77 2h3k s TYR 139 CO 0.12 -0.04 1.10 1.21 -1.57 0.00 0.00 175.55 176.37 2h3k s ASN 140 N -0.27 4.01 -0.64 2.29 2.47 -1.26 -4.92 114.94 116.62 2h3k s ASN 140 Ca 0.01 1.84 0.00 0.00 0.42 0.00 0.00 52.86 55.13 2h3k s ASN 140 Cb -0.13 -2.48 0.16 0.00 -1.45 0.00 0.00 41.25 37.35 2h3k s ASN 140 CO 0.03 -2.36 0.44 -0.62 -3.72 0.00 0.00 177.10 170.87 2h3k s ASP 141 N -3.25 5.01 0.19 -4.21 -1.08 -1.26 -4.89 116.67 107.18 2h3k s ASP 141 Ca 0.63 -3.13 0.24 0.00 -0.52 0.00 0.00 52.55 49.76 2h3k s ASP 141 Cb -0.18 -1.78 0.91 0.00 -1.46 0.00 0.00 42.92 40.41 2h3k s ASP 141 CO 0.57 -0.27 1.73 -0.81 0.52 0.00 0.00 175.17 176.91 2h3k n PRO 142 N 3.05 0.18 -2.59 4.34 -0.04 -1.26 -3.59 135.00 135.09 2h3k n PRO 142 Ca 0.10 0.29 -0.04 0.00 -0.04 0.00 0.00 63.50 63.81 2h3k n PRO 142 Cb 0.36 -1.78 0.05 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.11 2.12 0.00 3.54 2.88 -1.26 -5.14 113.62 113.65 2h3k n SER 143 Ca 0.04 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.23 2h3k n SER 143 Cb 0.31 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70