#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 1.33 0.00 0.00 -1.08 -1.26 -5.01 116.67 110.65 2h3k s ASP 2 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 2h3k s ASP 2 Cb 0.00 -0.06 0.00 0.00 -1.46 0.00 0.00 42.92 41.40 2h3k s ASP 2 CO 0.00 -0.04 0.00 1.21 0.52 0.00 0.00 175.17 176.86 2h3k n GLU 3 N 1.83 3.95 -3.40 4.34 2.13 -1.26 -5.10 120.64 123.13 2h3k n GLU 3 Ca -0.19 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.25 2h3k n GLU 3 Cb 0.55 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.19 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 0.56 6.50 0.53 4.31 0.01 -1.26 -4.73 113.70 119.61 2h3k s SER 4 Ca 0.00 0.60 0.29 0.00 1.31 0.00 0.00 55.95 58.15 2h3k s SER 4 Cb 0.00 -2.24 1.43 0.00 0.21 0.00 0.00 66.02 65.42 2h3k s SER 4 CO 0.00 -0.02 1.91 -0.07 0.41 0.00 0.00 173.24 175.47 2h3k h LEU 5 N 7.20 0.04 0.00 2.44 4.07 -1.66 0.84 115.31 128.24 2h3k h LEU 5 Ca -0.38 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.36 2h3k h LEU 5 Cb 1.17 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.87 2h3k h LEU 5 CO 0.74 0.01 -1.12 0.50 -1.08 0.00 0.00 178.44 177.49 2h3k h LYS 6 N 0.04 0.00 0.00 1.13 3.64 -1.66 -3.06 116.57 116.67 2h3k h LYS 6 Ca 0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2h3k h LYS 6 Cb 1.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2h3k h LYS 6 CO -0.02 0.92 -0.98 -0.25 -2.27 0.00 0.00 179.45 176.85 2h3k n ASP 7 N -3.30 0.62 0.04 4.20 8.00 0.50 -4.25 116.55 122.36 2h3k n ASP 7 Ca -0.03 -0.21 -0.22 0.00 0.71 0.00 0.00 54.79 55.05 2h3k n ASP 7 Cb 0.96 0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 42.65 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h3k h ALA 8 N 2.57 0.30 -0.66 2.24 0.00 0.45 -3.32 119.26 120.84 2h3k h ALA 8 Ca 0.00 -1.26 0.19 0.00 0.00 0.00 0.00 54.91 53.84 2h3k h ALA 8 Cb 0.72 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2h3k h ALA 8 CO 0.00 1.18 0.59 -0.84 0.00 0.00 0.00 179.25 180.17 2h3k h ILE 9 N 0.09 0.41 -0.03 0.00 3.07 -1.71 -3.27 117.51 116.08 2h3k h ILE 9 Ca -0.37 0.00 -0.62 0.00 1.55 0.00 0.00 64.86 65.42 2h3k h ILE 9 Cb 2.07 0.56 0.06 0.00 -0.27 0.00 0.00 36.82 39.24 2h3k h ILE 9 CO 0.14 0.00 2.05 0.29 -1.05 0.00 0.00 178.15 179.58 2h3k n LYS 10 N -3.90 1.23 -3.91 0.16 4.76 -1.25 -4.74 118.16 110.51 2h3k n LYS 10 Ca 0.13 -1.73 -0.10 0.00 -2.87 0.00 0.00 58.31 53.74 2h3k n LYS 10 Cb 0.83 -2.89 -0.10 0.00 -1.84 0.00 0.00 35.03 31.03 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 5.46 0.10 0.18 4.39 1.01 -1.23 -5.04 116.67 121.54 2h3k s ASP 11 Ca 0.60 -0.31 -0.01 0.00 0.71 0.00 0.00 52.55 53.55 2h3k s ASP 11 Cb 0.14 0.17 0.08 0.00 1.01 0.00 0.00 42.92 44.32 2h3k s ASP 11 CO 0.16 -0.35 1.45 1.55 0.21 0.00 0.00 175.17 178.19 2h3k h PRO 12 N 4.38 0.40 -0.02 8.23 0.13 -1.95 -2.92 132.00 140.26 2h3k h PRO 12 Ca -0.31 -0.31 -0.17 0.00 -0.87 0.00 0.00 66.00 64.33 2h3k h PRO 12 Cb 1.20 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2h3k h PRO 12 CO 0.41 0.95 -0.77 0.00 -0.23 0.00 0.00 178.00 178.36 2h3k h ALA 13 N 0.97 0.68 -0.99 -0.56 0.00 -1.96 -3.15 119.26 114.24 2h3k h ALA 13 Ca -0.02 -0.66 -0.57 0.00 0.00 0.00 0.00 54.91 53.66 2h3k h ALA 13 Cb 1.26 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.66 2h3k h ALA 13 CO 0.12 0.86 0.72 1.28 0.00 0.00 0.00 179.25 182.23 2h3k n LEU 14 N -3.72 7.03 -0.05 0.00 4.77 -1.20 -3.92 117.00 119.91 2h3k n LEU 14 Ca -0.03 -3.83 -0.11 0.00 -0.03 0.00 0.00 56.01 52.01 2h3k n LEU 14 Cb 0.73 -0.88 -0.14 0.00 -2.33 0.00 0.00 43.42 40.79 2h3k n LEU 14 CO 0.46 1.19 -0.80 1.21 -1.33 0.00 0.00 177.39 178.11 2h3k n GLU 15 N -1.08 0.66 -1.19 3.23 0.00 -1.11 -0.24 120.64 120.92 2h3k n GLU 15 Ca 0.61 0.19 -0.03 0.00 0.00 0.00 0.00 57.16 57.92 2h3k n GLU 15 Cb 1.35 -1.68 -0.01 0.00 0.00 0.00 0.00 31.44 31.10 2h3k n GLU 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2h3k n ASN 16 N -3.02 -0.69 -4.51 4.31 3.02 -1.25 -3.88 115.26 109.24 2h3k n ASN 16 Ca -0.25 -1.37 -0.30 0.00 -0.03 0.00 0.00 54.58 52.63 2h3k n ASN 16 Cb 1.08 0.25 0.21 0.00 -0.61 0.00 0.00 39.78 40.72 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 -0.26 -1.66 -3.09 3.52 0.00 -1.25 -4.89 118.16 110.52 2h3k n LYS 17 Ca -0.16 -0.44 -0.45 0.00 0.00 0.00 0.00 58.31 57.26 2h3k n LYS 17 Cb 0.58 -2.16 -0.01 0.00 0.00 0.00 0.00 35.03 33.44 2h3k n LYS 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2h3k s GLU 18 N -4.32 3.91 -1.18 1.64 2.56 -1.26 -4.91 118.70 115.14 2h3k s GLU 18 Ca 0.66 -2.49 -0.07 0.00 0.00 0.00 0.00 54.97 53.06 2h3k s GLU 18 Cb -0.23 -4.81 -0.07 0.00 2.00 0.00 0.00 34.13 31.02 2h3k s GLU 18 CO 0.63 -1.57 2.43 -2.39 -0.56 0.00 0.00 175.26 173.80 2h3k n HIS 19 N 4.95 1.77 -2.70 5.30 1.44 -1.26 -4.05 115.22 120.68 2h3k n HIS 19 Ca 0.27 -2.39 -0.07 0.00 -2.01 0.00 0.00 57.72 53.52 2h3k n HIS 19 Cb 0.44 -1.98 0.11 0.00 0.12 0.00 0.00 29.99 28.68 2h3k n HIS 19 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2h3k n ASP 20 N 4.02 -1.59 -4.37 4.39 -0.08 -1.26 -5.10 116.55 112.55 2h3k n ASP 20 Ca 0.57 -2.45 -0.32 0.00 -1.51 0.00 0.00 54.79 51.08 2h3k n ASP 20 Cb 0.17 0.86 -0.15 0.00 2.34 0.00 0.00 41.12 44.35 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2h3k s ILE 21 N -0.08 2.78 0.00 5.18 1.01 -1.26 -5.03 121.20 123.80 2h3k s ILE 21 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2h3k s ILE 21 Cb 0.41 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2h3k s ILE 21 CO -0.08 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2h3k n GLY 22 N 3.02 -4.05 3.74 6.18 0.00 -1.26 -4.99 105.19 107.84 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 -0.98 1.03 0.03 1.61 0.04 -1.26 -5.07 135.00 130.40 2h3k s PRO 23 Ca 0.00 0.46 -0.28 0.00 0.04 0.00 0.00 61.00 61.22 2h3k s PRO 23 Cb 0.00 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.83 2h3k s PRO 23 CO 0.00 -2.31 1.23 -0.98 0.04 0.00 0.00 177.00 174.97 2h3k s ARG 24 N -5.12 0.60 0.25 4.56 1.70 -1.26 -4.23 118.95 115.44 2h3k s ARG 24 Ca 0.64 -0.37 -0.09 0.00 -0.47 0.00 0.00 55.73 55.44 2h3k s ARG 24 Cb -0.16 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.38 2h3k s ARG 24 CO 0.55 -0.28 0.41 -1.21 -1.08 0.00 0.00 175.30 173.69 2h3k s GLU 25 N -2.23 1.52 -0.15 3.89 2.02 -0.70 -4.95 118.70 118.11 2h3k s GLU 25 Ca 0.22 -1.39 -0.02 0.00 0.02 0.00 0.00 54.97 53.80 2h3k s GLU 25 Cb 0.01 0.43 -0.02 0.00 0.10 0.00 0.00 34.13 34.65 2h3k s GLU 25 CO -0.00 -0.61 -0.09 -0.65 0.02 0.00 0.00 175.26 173.93 2h3k s GLN 26 N -3.92 3.50 -0.01 1.61 -1.52 -1.26 -2.24 119.66 115.82 2h3k s GLN 26 Ca 0.27 -0.62 0.01 0.00 -1.95 0.00 0.00 55.36 53.08 2h3k s GLN 26 Cb 0.01 -2.77 -0.00 0.00 -0.22 0.00 0.00 33.01 30.03 2h3k s GLN 26 CO 0.11 0.20 -0.04 0.08 -0.25 0.00 0.00 175.29 175.38 2h3k s VAL 27 N 0.43 0.37 0.24 1.09 1.01 0.53 -4.96 120.40 119.11 2h3k s VAL 27 Ca -0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2h3k s VAL 27 Cb -0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.84 2h3k s VAL 27 CO 0.04 0.11 0.55 0.21 0.00 0.00 0.00 175.10 176.01 2h3k s ASN 28 N -0.02 6.58 -0.04 3.32 2.47 -1.26 0.16 114.94 126.15 2h3k s ASN 28 Ca 0.01 0.88 0.05 0.00 0.42 0.00 0.00 52.86 54.22 2h3k s ASN 28 Cb -0.03 -2.21 -0.01 0.00 -1.45 0.00 0.00 41.25 37.55 2h3k s ASN 28 CO -0.00 -0.10 -0.20 0.72 -3.72 0.00 0.00 177.10 173.80 2h3k s PHE 29 N -1.88 1.87 -0.37 0.43 -0.12 -1.26 0.15 117.98 116.80 2h3k s PHE 29 Ca 0.47 -0.48 -0.16 0.00 -0.05 0.00 0.00 56.93 56.71 2h3k s PHE 29 Cb -0.11 -1.24 -0.00 0.00 -0.63 0.00 0.00 43.02 41.04 2h3k s PHE 29 CO 0.23 -0.13 0.39 -0.65 -0.05 0.00 0.00 175.22 175.02 2h3k s GLN 30 N -0.17 3.42 -0.25 1.99 1.11 0.27 -4.92 119.66 121.10 2h3k s GLN 30 Ca 0.00 -0.51 -0.25 0.00 0.01 0.00 0.00 55.36 54.62 2h3k s GLN 30 Cb -0.11 -3.86 -0.00 0.00 -1.01 0.00 0.00 33.01 28.03 2h3k s GLN 30 CO 0.01 -0.63 0.83 -0.51 0.01 0.00 0.00 175.29 175.00 2h3k s LEU 31 N 2.07 4.08 -0.03 2.90 1.43 -1.26 -1.33 118.68 126.55 2h3k s LEU 31 Ca 0.12 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2h3k s LEU 31 Cb -0.17 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.89 2h3k s LEU 31 CO 0.12 -0.53 -0.01 -0.76 0.23 0.00 0.00 176.35 175.40 2h3k s LEU 32 N 2.87 1.30 0.00 1.79 1.43 -0.94 -4.08 118.68 121.06 2h3k s LEU 32 Ca 0.35 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2h3k s LEU 32 Cb -0.15 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.83 2h3k s LEU 32 CO 0.08 -0.07 0.00 -0.67 0.23 0.00 0.00 176.35 175.91 2h3k n ASP 33 N 3.97 0.00 -2.00 2.29 -0.08 -1.09 -1.44 116.55 118.19 2h3k n ASP 33 Ca -0.25 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 52.84 2h3k n ASP 33 Cb 0.51 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.00 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2h3k n LYS 34 N 0.00 1.94 -0.75 -0.67 4.81 -1.26 -3.91 118.16 118.31 2h3k n LYS 34 Ca 0.00 -1.77 -0.04 0.00 -0.87 0.00 0.00 58.31 55.63 2h3k n LYS 34 Cb 0.00 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.29 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 0.35 -0.54 -3.71 3.14 2.85 -1.26 -4.98 115.26 111.11 2h3k n ASN 35 Ca 0.35 -1.16 -0.28 0.00 -0.11 0.00 0.00 54.58 53.37 2h3k n ASN 35 Cb 0.58 0.16 -0.00 0.00 1.24 0.00 0.00 39.78 41.76 2h3k n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2h3k n ASN 36 N 0.00 -3.90 -4.19 1.20 5.15 -1.25 -4.94 115.26 107.32 2h3k n ASN 36 Ca -0.15 -0.64 -0.31 0.00 -0.60 0.00 0.00 54.58 52.88 2h3k n ASN 36 Cb 0.50 -3.19 -0.17 0.00 -0.53 0.00 0.00 39.78 36.39 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2h3k s GLU 37 N -6.39 2.87 -0.44 1.20 2.12 -1.26 -4.93 118.70 111.87 2h3k s GLU 37 Ca 0.55 -0.82 -0.28 0.00 0.36 0.00 0.00 54.97 54.79 2h3k s GLU 37 Cb -0.29 -2.18 0.03 0.00 0.26 0.00 0.00 34.13 31.94 2h3k s GLU 37 CO 0.68 0.16 1.06 0.99 -0.54 0.00 0.00 175.26 177.61 2h3k s THR 38 N 0.38 4.34 -0.89 -1.70 2.01 -1.26 -2.69 115.64 115.83 2h3k s THR 38 Ca -0.18 1.18 0.01 0.00 0.31 0.00 0.00 61.69 63.01 2h3k s THR 38 Cb -0.18 -4.52 0.32 0.00 0.01 0.00 0.00 72.50 68.13 2h3k s THR 38 CO 0.08 -0.86 1.46 1.67 -0.69 0.00 0.00 174.62 176.28 2h3k n GLN 39 N 7.47 4.49 -0.13 4.92 0.00 -1.26 -4.65 117.38 128.22 2h3k n GLN 39 Ca 0.10 -4.70 0.09 0.00 -0.00 0.00 0.00 57.00 52.49 2h3k n GLN 39 Cb 0.49 -2.40 0.13 0.00 0.00 0.00 0.00 30.24 28.45 2h3k n GLN 39 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 2h3k n TYR 40 N 0.21 0.00 0.09 3.69 4.11 -1.26 -4.68 117.16 119.32 2h3k n TYR 40 Ca 0.38 -0.93 -0.09 0.00 -0.00 0.00 0.00 57.90 57.26 2h3k n TYR 40 Cb 0.32 -0.14 -0.06 0.00 -0.00 0.00 0.00 39.34 39.46 2h3k n TYR 40 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 2h3k h TYR 41 N 0.03 -0.30 -0.09 -3.48 5.03 -2.03 -3.35 116.97 112.78 2h3k h TYR 41 Ca -0.00 -0.01 -0.20 0.00 2.58 0.00 0.00 58.73 61.10 2h3k h TYR 41 Cb 1.04 0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.42 2h3k h TYR 41 CO 0.03 0.01 -0.76 1.25 -1.32 0.00 0.00 178.16 177.37 2h3k h HIS 42 N -0.99 0.72 -3.51 -3.82 2.76 -1.99 -3.41 115.15 104.92 2h3k h HIS 42 Ca -0.03 -0.32 -0.71 0.00 -2.20 0.00 0.00 60.37 57.10 2h3k h HIS 42 Cb 0.45 -0.11 -0.20 0.00 1.55 0.00 0.00 27.41 29.10 2h3k h HIS 42 CO 0.05 1.11 -0.34 0.12 -1.30 0.00 0.00 177.93 177.56 2h3k s PHE 43 N -3.63 3.21 -0.47 5.26 5.36 -1.25 -4.94 117.98 121.52 2h3k s PHE 43 Ca -0.07 -0.52 0.03 0.00 -0.96 0.00 0.00 56.93 55.42 2h3k s PHE 43 Cb 0.10 -2.72 0.44 0.00 -0.34 0.00 0.00 43.02 40.50 2h3k s PHE 43 CO 0.86 -0.64 1.50 0.34 -1.46 0.00 0.00 175.22 175.83 2h3k n PHE 44 N 5.33 3.00 0.00 10.12 -0.00 -1.26 -4.61 117.46 130.04 2h3k n PHE 44 Ca -0.10 -2.59 0.00 0.00 -0.00 0.00 0.00 57.45 54.77 2h3k n PHE 44 Cb 0.47 -0.71 0.00 0.00 -0.00 0.00 0.00 39.48 39.24 2h3k n PHE 44 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2h3k n SER 45 N -0.73 0.00 -4.57 -2.13 3.41 -1.26 -4.58 113.62 103.75 2h3k n SER 45 Ca 0.50 0.32 -0.36 0.00 -0.26 0.00 0.00 58.87 59.08 2h3k n SER 45 Cb 0.78 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.81 2h3k n SER 45 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2h3k n ILE 46 N -0.49 2.45 0.00 -1.33 -0.00 -1.25 -1.54 119.36 117.21 2h3k n ILE 46 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 2h3k n ILE 46 Cb 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 39.64 38.65 2h3k n ILE 46 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2h3k n LYS 47 N -1.56 0.00 -2.98 0.38 5.02 -1.26 -4.84 118.16 112.92 2h3k n LYS 47 Ca 0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 2h3k n LYS 47 Cb 0.50 -0.67 0.01 0.00 -0.02 0.00 0.00 35.03 34.85 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h3k s ASP 48 N -3.41 5.62 0.84 4.39 1.11 -1.26 -5.09 116.67 118.87 2h3k s ASP 48 Ca 0.00 -0.26 -0.11 0.00 0.18 0.00 0.00 52.55 52.35 2h3k s ASP 48 Cb 0.00 -0.82 0.10 0.00 1.07 0.00 0.00 42.92 43.26 2h3k s ASP 48 CO 0.00 -0.80 1.10 -2.16 1.18 0.00 0.00 175.17 174.48 2h3k s PRO 49 N -4.43 1.71 0.49 8.23 0.04 -1.26 -4.75 135.00 135.02 2h3k s PRO 49 Ca 0.54 0.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 2h3k s PRO 49 Cb -0.10 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2h3k s PRO 49 CO 0.34 -1.90 1.38 0.00 0.04 0.00 0.00 177.00 176.85 2h3k s ALA 50 N -3.06 3.04 -0.23 8.56 0.00 0.41 -4.76 121.76 125.72 2h3k s ALA 50 Ca 0.62 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.95 2h3k s ALA 50 Cb -0.16 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.43 2h3k s ALA 50 CO 0.55 -1.22 -0.11 0.34 0.00 0.00 0.00 175.76 175.32 2h3k s ASP 51 N -0.76 4.06 0.13 0.00 2.15 -0.06 -0.34 116.67 121.84 2h3k s ASP 51 Ca 0.66 -0.94 -0.23 0.00 0.43 0.00 0.00 52.55 52.47 2h3k s ASP 51 Cb -0.41 -1.59 -0.07 0.00 -0.30 0.00 0.00 42.92 40.54 2h3k s ASP 51 CO 0.51 -0.11 0.69 -0.69 -0.17 0.00 0.00 175.17 175.40 2h3k s VAL 52 N 1.26 4.52 -0.66 1.11 1.01 -0.95 0.10 120.40 126.80 2h3k s VAL 52 Ca -0.01 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.50 2h3k s VAL 52 Cb -0.17 -4.04 0.16 0.00 0.00 0.00 0.00 36.38 32.34 2h3k s VAL 52 CO -0.07 0.53 0.44 -0.31 0.00 0.00 0.00 175.10 175.70 2h3k s TYR 53 N -1.14 3.46 0.16 5.22 1.51 -0.27 -1.71 117.35 124.59 2h3k s TYR 53 Ca 0.33 -3.19 -0.31 0.00 -1.01 0.00 0.00 57.07 52.90 2h3k s TYR 53 Cb -0.22 -2.86 -0.09 0.00 -0.11 0.00 0.00 41.96 38.68 2h3k s TYR 53 CO 0.23 -0.66 1.39 0.71 -1.11 0.00 0.00 175.55 176.11 2h3k s TYR 54 N -0.91 3.20 0.00 2.71 2.02 -1.26 -1.50 117.35 121.61 2h3k s TYR 54 Ca 0.22 1.00 0.00 0.00 -0.37 0.00 0.00 57.07 57.92 2h3k s TYR 54 Cb -0.14 -3.70 0.00 0.00 -0.40 0.00 0.00 41.96 37.72 2h3k s TYR 54 CO -0.09 -2.39 0.00 0.25 -1.57 0.00 0.00 175.55 171.75 2h3k n THR 55 N 3.36 0.00 0.41 -0.71 -2.24 -1.25 -4.57 114.28 109.28 2h3k n THR 55 Ca 0.10 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 2h3k n THR 55 Cb 0.42 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.94 2h3k n THR 55 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 3.64 -1.94 -3.42 116.57 114.07 2h3k h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h3k h LYS 56 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2h3k h LYS 56 CO 0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 2h3k n LYS 57 N -2.71 0.00 -4.22 1.90 5.02 -1.26 -4.98 118.16 111.90 2h3k n LYS 57 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 2h3k n LYS 57 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.00 0.98 1.08 1.97 -0.14 -1.26 -4.85 119.74 117.52 2h3k s LYS 58 Ca 0.00 -1.33 -0.13 0.00 -1.36 0.00 0.00 55.97 53.16 2h3k s LYS 58 Cb 0.00 -0.60 0.24 0.00 -1.68 0.00 0.00 37.83 35.78 2h3k s LYS 58 CO 0.00 0.08 1.06 0.00 -0.76 0.00 0.00 175.35 175.73 2h3k s ALA 59 N -2.92 0.23 -0.33 5.17 0.00 -1.26 -3.86 121.76 118.78 2h3k s ALA 59 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2h3k s ALA 59 Cb 0.00 -3.17 0.14 0.00 0.00 0.00 0.00 23.12 20.08 2h3k s ALA 59 CO 0.00 -3.35 0.26 -1.21 0.00 0.00 0.00 175.76 171.46 2h3k s GLU 60 N -4.73 0.47 0.46 0.00 8.01 -0.56 -3.70 118.70 118.66 2h3k s GLU 60 Ca 0.67 -0.85 -0.24 0.00 0.01 0.00 0.00 54.97 54.56 2h3k s GLU 60 Cb -0.22 -1.00 -0.07 0.00 -4.31 0.00 0.00 34.13 28.53 2h3k s GLU 60 CO 0.61 -1.14 1.32 0.08 0.01 0.00 0.00 175.26 176.14 2h3k s VAL 61 N 1.58 2.43 0.06 2.63 1.01 -0.56 -1.11 120.40 126.44 2h3k s VAL 61 Ca 0.15 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2h3k s VAL 61 Cb -0.18 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2h3k s VAL 61 CO -0.13 0.03 -0.09 -0.70 0.00 0.00 0.00 175.10 174.21 2h3k s GLU 62 N -2.55 0.67 0.03 2.72 2.12 0.28 -1.15 118.70 120.81 2h3k s GLU 62 Ca 0.63 -0.93 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 2h3k s GLU 62 Cb -0.38 -0.40 -0.02 0.00 0.26 0.00 0.00 34.13 33.58 2h3k s GLU 62 CO 0.48 0.07 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.74 2h3k s LEU 63 N -1.95 2.23 0.24 2.70 1.02 -0.25 -0.88 118.68 121.79 2h3k s LEU 63 Ca -0.03 -0.64 0.05 0.00 0.02 0.00 0.00 54.13 53.53 2h3k s LEU 63 Cb -0.07 0.21 -0.03 0.00 0.02 0.00 0.00 46.19 46.32 2h3k s LEU 63 CO -0.00 -0.42 0.32 -0.62 0.02 0.00 0.00 176.35 175.65 2h3k s ASP 64 N -1.96 6.12 -0.28 2.29 2.15 -1.26 -2.42 116.67 121.30 2h3k s ASP 64 Ca -0.08 -0.01 -0.03 0.00 0.43 0.00 0.00 52.55 52.86 2h3k s ASP 64 Cb -0.04 -1.75 0.10 0.00 -0.30 0.00 0.00 42.92 40.94 2h3k s ASP 64 CO -0.04 -0.06 0.16 -0.63 -0.17 0.00 0.00 175.17 174.43 2h3k s ILE 65 N -2.02 -0.13 0.11 4.11 1.09 -0.71 -3.77 121.20 119.88 2h3k s ILE 65 Ca 0.34 -0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 58.92 2h3k s ILE 65 Cb -0.09 -0.96 -0.10 0.00 -1.06 0.00 0.00 42.46 40.26 2h3k s ILE 65 CO 0.28 -0.65 1.62 -1.13 -0.10 0.00 0.00 174.94 174.95 2h3k h ASN 66 N 8.38 -0.93 -1.27 3.58 -0.73 -1.48 -2.30 115.58 120.82 2h3k h ASN 66 Ca -0.19 0.10 -0.73 0.00 1.87 0.00 0.00 56.30 57.36 2h3k h ASN 66 Cb 1.03 0.35 -0.15 0.00 0.27 0.00 0.00 38.32 39.82 2h3k h ASN 66 CO 0.41 -0.43 2.07 0.35 -0.37 0.00 0.00 177.43 179.46 2h3k n THR 67 N -5.43 5.15 0.32 -3.57 -2.24 -1.26 -3.65 114.28 103.60 2h3k n THR 67 Ca -0.07 -4.39 0.20 0.00 -2.27 0.00 0.00 64.05 57.52 2h3k n THR 67 Cb 0.34 -1.96 1.06 0.00 -2.10 0.00 0.00 70.33 67.67 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 4.39 1.15 0.00 6.98 0.00 -1.75 -0.73 119.26 129.29 2h3k h ALA 68 Ca 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2h3k h ALA 68 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2h3k h ALA 68 CO 1.39 0.01 0.00 0.66 0.00 0.00 0.00 179.25 181.31 2h3k h SER 69 N 0.00 0.00 0.44 0.00 4.64 -1.89 -2.94 113.55 113.80 2h3k h SER 69 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2h3k h SER 69 Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 2h3k h SER 69 CO 0.00 0.00 -1.67 0.71 -0.87 0.00 0.00 176.83 175.00 2h3k h THR 70 N 0.00 0.95 -3.85 2.95 1.35 -1.40 -3.47 112.91 109.43 2h3k h THR 70 Ca 0.00 -2.71 -0.55 0.00 -0.55 0.00 0.00 66.41 62.61 2h3k h THR 70 Cb 0.42 2.56 0.11 0.00 -1.73 0.00 0.00 68.15 69.51 2h3k h THR 70 CO 0.00 0.70 0.73 0.79 -0.25 0.00 0.00 175.52 177.48 2h3k n TRP 71 N -3.27 2.84 0.00 4.73 7.02 -1.11 -2.71 117.44 124.94 2h3k n TRP 71 Ca -0.19 0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.75 2h3k n TRP 71 Cb 1.04 -2.50 0.00 0.00 -2.42 0.00 0.00 31.31 27.43 2h3k n TRP 71 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2h3k n LYS 72 N 0.32 0.00 -4.27 -0.99 0.00 -1.16 -2.43 118.16 109.62 2h3k n LYS 72 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.18 2h3k n LYS 72 Cb 0.39 -0.81 -0.10 0.00 0.00 0.00 0.00 35.03 34.52 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 -1.86 1.37 -0.29 1.64 1.02 -1.26 -2.13 119.74 118.22 2h3k s LYS 73 Ca 0.00 -1.74 -0.16 0.00 0.02 0.00 0.00 55.97 54.08 2h3k s LYS 73 Cb 0.00 0.02 0.18 0.00 -0.52 0.00 0.00 37.83 37.51 2h3k s LYS 73 CO 0.00 -0.38 1.15 0.12 -0.92 0.00 0.00 175.35 175.33 2h3k s PHE 74 N -3.89 -0.27 -0.41 3.18 5.36 -1.21 -4.07 117.98 116.67 2h3k s PHE 74 Ca 0.38 0.53 0.07 0.00 -0.96 0.00 0.00 56.93 56.95 2h3k s PHE 74 Cb 0.07 0.17 0.17 0.00 -0.34 0.00 0.00 43.02 43.10 2h3k s PHE 74 CO 0.14 -0.13 0.57 -1.21 -1.46 0.00 0.00 175.22 173.14 2h3k s GLU 75 N 1.11 0.79 0.39 10.12 2.02 -0.39 -4.75 118.70 127.99 2h3k s GLU 75 Ca -0.08 -0.44 -0.28 0.00 0.02 0.00 0.00 54.97 54.19 2h3k s GLU 75 Cb -0.03 -0.10 -0.11 0.00 0.10 0.00 0.00 34.13 33.99 2h3k s GLU 75 CO -0.12 -1.20 1.46 0.28 0.02 0.00 0.00 175.26 175.70 2h3k n VAL 76 N 4.31 2.13 -3.78 2.63 0.31 -1.25 -3.18 118.33 119.49 2h3k n VAL 76 Ca 0.12 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.71 2h3k n VAL 76 Cb 0.54 -1.92 -0.17 0.00 -0.91 0.00 0.00 33.84 31.38 2h3k n VAL 76 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2h3k s TYR 77 N -1.13 0.78 -0.02 3.52 5.04 0.41 0.20 117.35 126.13 2h3k s TYR 77 Ca 0.55 -0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.87 2h3k s TYR 77 Cb -0.48 -0.86 0.01 0.00 0.35 0.00 0.00 41.96 40.97 2h3k s TYR 77 CO 0.63 -0.36 0.10 -1.83 -1.34 0.00 0.00 175.55 172.74 2h3k s GLU 78 N 1.94 0.23 -1.36 4.97 4.04 -1.18 -1.14 118.70 126.19 2h3k s GLU 78 Ca 0.05 -0.06 -0.05 0.00 0.04 0.00 0.00 54.97 54.94 2h3k s GLU 78 Cb -0.13 0.10 0.03 0.00 0.02 0.00 0.00 34.13 34.15 2h3k s GLU 78 CO -0.06 -0.04 0.90 -1.71 -1.84 0.00 0.00 175.26 172.51 2h3k n ASN 79 N 2.50 -3.08 -3.46 0.83 5.15 -1.26 -2.99 115.26 112.95 2h3k n ASN 79 Ca -0.16 -0.74 -0.15 0.00 -0.60 0.00 0.00 54.58 52.94 2h3k n ASN 79 Cb 0.58 -4.32 0.01 0.00 -0.53 0.00 0.00 39.78 35.51 2h3k n ASN 79 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2h3k n ASN 80 N -3.00 -6.19 0.00 1.20 4.13 -1.26 -4.98 115.26 105.15 2h3k n ASN 80 Ca -0.16 -0.59 0.00 0.00 1.68 0.00 0.00 54.58 55.52 2h3k n ASN 80 Cb 0.62 -3.46 0.00 0.00 -1.54 0.00 0.00 39.78 35.40 2h3k n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h3k n GLN 81 N -2.44 0.00 -2.12 3.52 6.02 -1.16 -5.13 117.38 116.07 2h3k n GLN 81 Ca -0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.41 2h3k n GLN 81 Cb 0.60 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.83 2h3k n GLN 81 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2h3k s LYS 82 N 0.00 4.26 -0.08 -1.09 2.47 -1.26 -3.11 119.74 120.93 2h3k s LYS 82 Ca 0.00 2.10 -0.21 0.00 -1.56 0.00 0.00 55.97 56.29 2h3k s LYS 82 Cb 0.00 -3.53 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 2h3k s LYS 82 CO 0.00 -0.60 0.61 -0.51 0.16 0.00 0.00 175.35 175.01 2h3k s LEU 83 N 2.28 4.31 -0.95 5.43 1.43 0.13 -4.97 118.68 126.33 2h3k s LEU 83 Ca 0.67 1.06 -0.24 0.00 -1.03 0.00 0.00 54.13 54.59 2h3k s LEU 83 Cb -0.35 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 2h3k s LEU 83 CO 0.29 -0.05 1.74 -2.16 0.23 0.00 0.00 176.35 176.39 2h3k s PRO 84 N 0.64 2.99 0.37 1.29 0.04 -1.26 -3.94 135.00 135.13 2h3k s PRO 84 Ca 0.33 -0.64 -0.26 0.00 0.04 0.00 0.00 61.00 60.47 2h3k s PRO 84 Cb -0.17 -5.19 -0.09 0.00 0.04 0.00 0.00 34.50 29.09 2h3k s PRO 84 CO 0.15 -2.88 1.12 0.54 0.04 0.00 0.00 177.00 175.98 2h3k s VAL 85 N 7.91 3.38 0.41 -0.36 0.11 -1.26 -4.91 120.40 125.68 2h3k s VAL 85 Ca 0.60 1.18 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 2h3k s VAL 85 Cb -0.04 -3.68 -0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2h3k s VAL 85 CO -0.05 0.13 0.00 -2.11 -3.33 0.00 0.00 175.10 169.75 2h3k n ARG 86 N 0.32 0.99 -4.01 1.54 0.00 -1.15 -4.90 116.66 109.45 2h3k n ARG 86 Ca 0.03 -3.00 -0.32 0.00 -0.00 0.00 0.00 57.85 54.56 2h3k n ARG 86 Cb 0.47 0.82 -0.15 0.00 -0.00 0.00 0.00 32.46 33.61 2h3k n ARG 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2h3k s LEU 87 N 0.00 4.51 0.00 2.89 2.96 -1.26 -2.91 118.68 124.86 2h3k s LEU 87 Ca 0.01 -1.96 0.00 0.00 -0.22 0.00 0.00 54.13 51.95 2h3k s LEU 87 Cb 0.00 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.06 2h3k s LEU 87 CO 0.00 -0.35 0.98 0.52 -1.32 0.00 0.00 176.35 176.19 2h3k n VAL 88 N 4.33 0.00 -4.16 1.68 0.31 0.22 -4.88 118.33 115.82 2h3k n VAL 88 Ca -0.01 1.48 -0.10 0.00 -0.01 0.00 0.00 64.34 65.70 2h3k n VAL 88 Cb 0.42 -2.41 -0.10 0.00 -0.91 0.00 0.00 33.84 30.84 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2h3k s SER 89 N -2.14 0.74 -0.14 4.52 1.04 -1.20 -4.66 113.70 111.85 2h3k s SER 89 Ca 0.00 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.27 2h3k s SER 89 Cb 0.00 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.37 2h3k s SER 89 CO 0.00 -0.60 0.32 -0.47 0.98 0.00 0.00 173.24 173.47 2h3k s TYR 90 N -3.84 -0.50 0.51 5.02 5.04 0.66 0.59 117.35 124.83 2h3k s TYR 90 Ca 0.17 1.09 -0.20 0.00 -2.44 0.00 0.00 57.07 55.69 2h3k s TYR 90 Cb 0.07 0.13 -0.07 0.00 0.35 0.00 0.00 41.96 42.43 2h3k s TYR 90 CO -0.02 -0.33 1.06 -1.12 -1.34 0.00 0.00 175.55 173.79 2h3k s SER 91 N 1.77 6.16 0.92 4.32 0.01 0.38 -3.60 113.70 123.65 2h3k s SER 91 Ca -0.06 1.96 -0.11 0.00 1.31 0.00 0.00 55.95 59.05 2h3k s SER 91 Cb -0.10 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.71 2h3k s SER 91 CO -0.10 -0.91 1.09 -2.16 0.41 0.00 0.00 173.24 171.57 2h3k s PRO 92 N -3.34 1.07 0.12 12.44 0.04 -1.25 -3.63 135.00 140.45 2h3k s PRO 92 Ca 0.68 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2h3k s PRO 92 Cb -0.18 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.67 2h3k s PRO 92 CO 0.23 -2.40 0.86 0.28 0.04 0.00 0.00 177.00 176.02 2h3k n VAL 93 N -4.00 -0.32 -0.06 -0.36 0.31 -1.26 0.14 118.33 112.79 2h3k n VAL 93 Ca 0.07 1.32 0.06 0.00 -0.01 0.00 0.00 64.34 65.78 2h3k n VAL 93 Cb 0.55 -1.71 0.42 0.00 -0.91 0.00 0.00 33.84 32.19 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 0.57 0.07 5.55 0.13 -2.03 -2.33 132.00 133.95 2h3k h PRO 94 Ca 0.17 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.95 2h3k h PRO 94 Cb 0.31 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 2h3k h PRO 94 CO -0.55 0.37 -1.69 0.93 -0.23 0.00 0.00 178.00 176.83 2h3k h GLU 95 N 0.58 0.14 -6.04 0.86 5.08 0.98 -3.49 114.58 112.68 2h3k h GLU 95 Ca 0.21 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2h3k h GLU 95 Cb 0.10 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2h3k h GLU 95 CO -0.05 0.89 -1.00 -3.47 -1.00 0.00 0.00 179.01 174.38 2h3k n ASP 96 N -3.29 -6.75 -3.42 1.42 2.03 0.29 -4.92 116.55 101.91 2h3k n ASP 96 Ca -0.20 0.48 0.01 0.00 0.52 0.00 0.00 54.79 55.61 2h3k n ASP 96 Cb 1.04 -2.81 -0.03 0.00 -0.72 0.00 0.00 41.12 38.60 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 -1.44 -1.06 -0.08 -0.67 3.76 -1.24 -4.39 115.29 110.17 2h3k s HIS 97 Ca 0.13 1.61 0.01 0.00 -0.15 0.00 0.00 55.06 56.66 2h3k s HIS 97 Cb -0.02 0.55 -0.03 0.00 1.11 0.00 0.00 32.58 34.20 2h3k s HIS 97 CO 0.48 -0.54 -0.09 0.00 -0.85 0.00 0.00 174.74 173.74 2h3k s ALA 98 N 2.73 2.88 -0.37 -1.40 0.00 -0.89 0.14 121.76 124.87 2h3k s ALA 98 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2h3k s ALA 98 Cb -0.10 -1.22 0.08 0.00 0.00 0.00 0.00 23.12 21.87 2h3k s ALA 98 CO -0.18 0.49 0.13 0.71 0.00 0.00 0.00 175.76 176.91 2h3k s TYR 99 N -0.51 3.40 0.38 0.00 2.02 0.20 -1.74 117.35 121.11 2h3k s TYR 99 Ca 0.07 -1.98 0.08 0.00 -0.37 0.00 0.00 57.07 54.87 2h3k s TYR 99 Cb -0.12 -2.70 -0.03 0.00 -0.40 0.00 0.00 41.96 38.71 2h3k s TYR 99 CO 0.02 -0.87 0.27 0.96 -1.57 0.00 0.00 175.55 174.37 2h3k s ILE 100 N 1.25 2.86 0.03 2.71 -5.25 -1.02 0.69 121.20 122.48 2h3k s ILE 100 Ca 0.02 -1.49 -0.27 0.00 -0.99 0.00 0.00 60.65 57.92 2h3k s ILE 100 Cb -0.21 -3.03 0.09 0.00 2.95 0.00 0.00 42.46 42.25 2h3k s ILE 100 CO -0.01 -0.08 0.79 0.00 -1.79 0.00 0.00 174.94 173.85 2h3k s ARG 101 N -4.00 0.97 0.10 0.37 1.70 -1.15 -1.09 118.95 115.86 2h3k s ARG 101 Ca 0.43 -0.28 -0.07 0.00 -0.47 0.00 0.00 55.73 55.35 2h3k s ARG 101 Cb -0.02 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 2h3k s ARG 101 CO 0.26 -0.41 0.17 -0.59 -1.08 0.00 0.00 175.30 173.65 2h3k s PHE 102 N -3.01 0.32 0.71 5.89 -0.71 -0.30 -2.94 117.98 117.93 2h3k s PHE 102 Ca 0.02 -0.75 -0.11 0.00 -1.04 0.00 0.00 56.93 55.05 2h3k s PHE 102 Cb -0.01 -0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.68 2h3k s PHE 102 CO -0.08 -0.56 1.07 -1.25 -1.34 0.00 0.00 175.22 173.06 2h3k s PRO 103 N -3.91 2.81 -0.35 1.99 0.04 -1.26 -1.49 135.00 132.82 2h3k s PRO 103 Ca 0.10 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2h3k s PRO 103 Cb 0.05 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.77 2h3k s PRO 103 CO -0.07 -1.20 0.37 0.14 0.04 0.00 0.00 177.00 176.28 2h3k s VAL 104 N -2.99 -0.38 0.36 -0.36 -7.23 -1.24 -4.84 120.40 103.72 2h3k s VAL 104 Ca 0.59 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 2h3k s VAL 104 Cb -0.15 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 2h3k s VAL 104 CO 0.54 -0.53 0.57 -0.94 -0.31 0.00 0.00 175.10 174.44 2h3k s SER 105 N 1.66 6.25 -1.58 4.85 1.04 -1.26 -4.24 113.70 120.42 2h3k s SER 105 Ca 0.15 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2h3k s SER 105 Cb -0.15 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2h3k s SER 105 CO -0.10 -0.35 0.00 -0.67 0.98 0.00 0.00 173.24 173.10 2h3k n ASP 106 N -1.84 -4.80 -1.40 7.02 -0.08 -1.26 -2.13 116.55 112.05 2h3k n ASP 106 Ca -0.04 0.34 -0.13 0.00 -1.51 0.00 0.00 54.79 53.46 2h3k n ASP 106 Cb 0.56 -3.66 -0.01 0.00 2.34 0.00 0.00 41.12 40.35 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 -1.11 -0.02 3.42 0.27 0.00 -1.22 -4.84 105.19 101.69 2h3k n GLY 107 Ca -0.15 -0.36 -0.62 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.89 0.00 0.01 2.61 -1.04 -0.91 -2.64 114.28 108.42 2h3k n THR 108 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2h3k n THR 108 Cb 0.60 -0.46 -0.00 0.00 -1.82 0.00 0.00 70.33 68.65 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 3.81 4.46 -3.99 -2.82 7.27 -1.26 -2.79 117.38 122.06 2h3k n GLN 109 Ca 0.29 -0.00 -0.24 0.00 0.07 0.00 0.00 57.00 57.12 2h3k n GLN 109 Cb -0.05 -0.69 -0.17 0.00 2.41 0.00 0.00 30.24 31.74 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 -1.38 1.13 -0.02 3.69 2.02 -1.26 0.12 118.70 123.00 2h3k s GLU 110 Ca 0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 2h3k s GLU 110 Cb 0.00 -1.24 0.01 0.00 0.10 0.00 0.00 34.13 33.01 2h3k s GLU 110 CO 0.02 -0.21 0.05 -0.48 0.02 0.00 0.00 175.26 174.66 2h3k s LEU 111 N 1.53 1.64 0.15 1.80 2.34 -1.00 -4.82 118.68 120.31 2h3k s LEU 111 Ca -0.00 0.10 -0.25 0.00 0.06 0.00 0.00 54.13 54.05 2h3k s LEU 111 Cb -0.13 0.15 -0.08 0.00 -0.56 0.00 0.00 46.19 45.57 2h3k s LEU 111 CO -0.04 -0.04 0.75 -0.54 -1.06 0.00 0.00 176.35 175.42 2h3k s LYS 112 N 0.25 4.53 -0.08 1.48 3.01 -0.29 -2.43 119.74 126.20 2h3k s LYS 112 Ca -0.02 1.11 -0.00 0.00 -1.01 0.00 0.00 55.97 56.05 2h3k s LYS 112 Cb -0.03 -3.27 -0.03 0.00 -1.01 0.00 0.00 37.83 33.49 2h3k s LYS 112 CO -0.01 0.56 -0.05 0.42 0.51 0.00 0.00 175.35 176.78 2h3k s ILE 113 N -1.06 3.88 -0.21 2.17 1.01 0.29 0.15 121.20 127.42 2h3k s ILE 113 Ca 0.35 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.61 2h3k s ILE 113 Cb -0.23 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.68 2h3k s ILE 113 CO 0.25 0.60 -0.13 -0.69 0.00 0.00 0.00 174.94 174.97 2h3k s VAL 114 N -0.78 1.92 0.23 2.92 1.01 -1.19 -2.41 120.40 122.10 2h3k s VAL 114 Ca 0.12 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 2h3k s VAL 114 Cb -0.11 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.39 2h3k s VAL 114 CO 0.02 0.19 0.95 -0.94 0.00 0.00 0.00 175.10 175.32 2h3k s SER 115 N 1.27 -0.05 -0.24 3.32 1.04 -1.11 -1.26 113.70 116.67 2h3k s SER 115 Ca -0.02 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.59 2h3k s SER 115 Cb -0.17 0.58 0.09 0.00 0.10 0.00 0.00 66.02 66.63 2h3k s SER 115 CO -0.08 -1.14 0.54 -0.94 0.98 0.00 0.00 173.24 172.60 2h3k s SER 116 N -3.20 -0.71 0.22 7.02 1.04 -1.26 0.11 113.70 116.92 2h3k s SER 116 Ca 0.18 1.25 0.09 0.00 0.48 0.00 0.00 55.95 57.94 2h3k s SER 116 Cb -0.03 1.49 -0.04 0.00 0.10 0.00 0.00 66.02 67.54 2h3k s SER 116 CO 0.06 -0.22 -0.01 0.42 0.98 0.00 0.00 173.24 174.47 2h3k s THR 117 N 2.20 3.52 -0.03 2.02 -4.23 -0.35 -3.01 115.64 115.76 2h3k s THR 117 Ca -0.06 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 2h3k s THR 117 Cb -0.10 -2.83 0.03 0.00 1.34 0.00 0.00 72.50 70.95 2h3k s THR 117 CO -0.16 -0.25 0.07 -1.10 -0.54 0.00 0.00 174.62 172.64 2h3k s GLN 118 N -3.30 -0.00 -0.18 3.99 -1.52 -1.10 -2.35 119.66 115.19 2h3k s GLN 118 Ca 0.29 0.26 0.16 0.00 -1.95 0.00 0.00 55.36 54.12 2h3k s GLN 118 Cb -0.08 -0.24 0.47 0.00 -0.22 0.00 0.00 33.01 32.94 2h3k s GLN 118 CO 0.19 -0.18 1.36 -0.89 -0.25 0.00 0.00 175.29 175.52 2h3k n ILE 119 N 4.27 2.23 -3.77 1.08 -0.00 -1.26 -4.70 119.36 117.21 2h3k n ILE 119 Ca -0.26 -2.12 -0.28 0.00 -0.00 0.00 0.00 62.75 60.10 2h3k n ILE 119 Cb 0.50 -0.26 0.02 0.00 -0.00 0.00 0.00 39.64 39.90 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 -0.83 -3.05 0.01 4.38 9.92 -1.26 -4.90 116.55 120.82 2h3k n ASP 120 Ca 0.22 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 2h3k n ASP 120 Cb 0.85 -3.40 0.00 0.00 -0.64 0.00 0.00 41.12 37.93 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 -2.84 0.06 0.00 -2.24 9.92 -1.26 -5.13 116.55 115.06 2h3k n ASP 121 Ca -0.20 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 2h3k n ASP 121 Cb 0.64 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 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 2.95 2.71 3.73 0.44 0.00 -1.26 -5.09 105.19 108.67 2h3k n GLY 122 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 1.89 4.40 0.56 1.61 2.12 -1.26 -5.03 118.70 123.00 2h3k s GLU 123 Ca 0.00 0.78 -0.21 0.00 0.36 0.00 0.00 54.97 55.90 2h3k s GLU 123 Cb 0.00 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 2h3k s GLU 123 CO 0.00 0.15 1.34 -2.00 -0.54 0.00 0.00 175.26 174.21 2h3k s GLU 124 N 0.54 3.04 -0.47 4.30 2.12 -1.26 -4.96 118.70 122.01 2h3k s GLU 124 Ca 0.34 2.18 -0.13 0.00 0.36 0.00 0.00 54.97 57.73 2h3k s GLU 124 Cb -0.17 -2.17 0.09 0.00 0.26 0.00 0.00 34.13 32.13 2h3k s GLU 124 CO 0.17 -1.25 0.36 0.99 -0.54 0.00 0.00 175.26 174.99 2h3k s THR 125 N -1.33 4.74 -0.44 -1.70 2.01 -0.99 -5.02 115.64 112.91 2h3k s THR 125 Ca 0.74 -1.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 2h3k s THR 125 Cb -0.39 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.25 2h3k s THR 125 CO 0.46 -0.64 0.32 0.21 -0.69 0.00 0.00 174.62 174.28 2h3k s ASN 126 N 2.65 5.93 -1.04 3.53 3.84 -1.26 -1.21 114.94 127.36 2h3k s ASN 126 Ca 0.04 -1.34 -0.21 0.00 0.21 0.00 0.00 52.86 51.56 2h3k s ASN 126 Cb -0.25 -2.10 -0.09 0.00 -0.55 0.00 0.00 41.25 38.26 2h3k s ASN 126 CO 0.03 -0.57 1.95 -1.22 -2.79 0.00 0.00 177.10 174.50 2h3k n TYR 127 N 5.08 2.66 -0.24 0.43 4.01 0.30 -4.72 117.16 124.68 2h3k n TYR 127 Ca -0.11 -2.00 0.03 0.00 -0.16 0.00 0.00 57.90 55.65 2h3k n TYR 127 Cb 0.44 -2.19 0.15 0.00 -0.31 0.00 0.00 39.34 37.43 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 8.08 0.34 -3.15 7.72 1.82 -1.87 -2.95 116.42 126.41 2h3k h ASP 128 Ca 0.39 0.08 -0.45 0.00 -0.39 0.00 0.00 57.03 56.66 2h3k h ASP 128 Cb 0.76 0.04 -0.40 0.00 0.68 0.00 0.00 39.33 40.41 2h3k h ASP 128 CO 1.69 0.17 -0.75 -0.47 -1.61 0.00 0.00 179.24 178.27 2h3k s TYR 129 N -6.05 0.34 -0.26 0.28 5.04 -1.26 -4.70 117.35 110.74 2h3k s TYR 129 Ca -0.13 -0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 2h3k s TYR 129 Cb 0.19 -0.72 0.06 0.00 0.35 0.00 0.00 41.96 41.85 2h3k s TYR 129 CO 0.76 -0.46 -0.07 0.99 -1.34 0.00 0.00 175.55 175.43 2h3k s THR 130 N 2.09 1.97 -0.78 4.34 2.01 -1.01 -4.52 115.64 119.73 2h3k s THR 130 Ca 0.02 -1.58 -0.24 0.00 0.31 0.00 0.00 61.69 60.20 2h3k s THR 130 Cb -0.15 -2.17 0.06 0.00 0.01 0.00 0.00 72.50 70.25 2h3k s THR 130 CO -0.07 -0.12 1.19 -0.75 -0.69 0.00 0.00 174.62 174.17 2h3k s LYS 131 N 1.18 3.27 -0.41 4.92 2.20 -0.52 -0.55 119.74 129.83 2h3k s LYS 131 Ca -0.06 -0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 54.64 2h3k s LYS 131 Cb -0.20 -4.47 0.02 0.00 -1.51 0.00 0.00 37.83 31.67 2h3k s LYS 131 CO -0.06 -2.01 0.35 -1.17 -0.36 0.00 0.00 175.35 172.10 2h3k s LEU 132 N 4.73 5.00 -0.26 5.43 0.20 -1.02 -2.20 118.68 130.56 2h3k s LEU 132 Ca 0.32 -0.80 -0.12 0.00 0.69 0.00 0.00 54.13 54.23 2h3k s LEU 132 Cb -0.09 -2.25 -0.05 0.00 -0.43 0.00 0.00 46.19 43.37 2h3k s LEU 132 CO 0.07 -0.50 0.21 -0.69 -0.29 0.00 0.00 176.35 175.15 2h3k s VAL 133 N 1.86 5.31 1.08 1.68 1.01 -0.44 -2.38 120.40 128.52 2h3k s VAL 133 Ca 0.08 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 2h3k s VAL 133 Cb -0.18 -3.55 0.24 0.00 0.00 0.00 0.00 36.38 32.89 2h3k s VAL 133 CO 0.11 0.28 1.06 -0.36 0.00 0.00 0.00 175.10 176.19 2h3k s PHE 134 N 1.51 1.65 -0.12 5.22 0.08 0.33 0.95 117.98 127.59 2h3k s PHE 134 Ca 0.09 1.18 0.14 0.00 0.12 0.00 0.00 56.93 58.45 2h3k s PHE 134 Cb -0.15 -3.16 0.02 0.00 -0.57 0.00 0.00 43.02 39.15 2h3k s PHE 134 CO 0.08 -3.43 1.40 0.00 -0.10 0.00 0.00 175.22 173.17 2h3k h ALA 135 N -2.30 0.62 -2.66 5.36 0.00 0.10 -3.42 119.26 116.97 2h3k h ALA 135 Ca -0.58 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 53.72 2h3k h ALA 135 Cb 1.32 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 2h3k h ALA 135 CO 0.52 0.73 -0.25 -1.59 0.00 0.00 0.00 179.25 178.66 2h3k s LYS 136 N -2.92 1.11 0.17 0.00 0.00 -1.26 -5.00 119.74 111.84 2h3k s LYS 136 Ca 0.03 -1.03 -0.30 0.00 0.00 0.00 0.00 55.97 54.67 2h3k s LYS 136 Cb 0.08 0.40 -0.08 0.00 0.00 0.00 0.00 37.83 38.23 2h3k s LYS 136 CO 0.76 -0.41 1.32 -1.25 0.00 0.00 0.00 175.35 175.76 2h3k s PRO 137 N -3.91 4.38 -0.84 1.78 0.04 -1.26 -4.70 135.00 130.48 2h3k s PRO 137 Ca 0.12 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 2h3k s PRO 137 Cb 0.03 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.46 2h3k s PRO 137 CO -0.04 -0.29 1.07 0.42 0.04 0.00 0.00 177.00 178.20 2h3k s ILE 138 N 0.39 4.60 -0.14 0.56 -1.09 -1.08 -4.91 121.20 119.53 2h3k s ILE 138 Ca 0.58 -1.20 -0.08 0.00 -2.23 0.00 0.00 60.65 57.73 2h3k s ILE 138 Cb -0.36 -4.75 -0.04 0.00 -1.58 0.00 0.00 42.46 35.73 2h3k s ILE 138 CO 0.36 -1.48 0.14 -0.31 -1.23 0.00 0.00 174.94 172.41 2h3k s TYR 139 N 3.11 3.54 1.03 3.97 2.02 -1.26 -3.38 117.35 126.38 2h3k s TYR 139 Ca 0.29 0.47 -0.16 0.00 -0.37 0.00 0.00 57.07 57.30 2h3k s TYR 139 Cb -0.09 -2.00 0.22 0.00 -0.40 0.00 0.00 41.96 39.69 2h3k s TYR 139 CO -0.03 0.61 1.21 0.54 -1.57 0.00 0.00 175.55 176.31 2h3k s ASN 140 N -0.65 2.45 -0.66 2.29 4.22 -1.26 -4.88 114.94 116.44 2h3k s ASN 140 Ca 0.13 0.53 -0.04 0.00 -2.14 0.00 0.00 52.86 51.34 2h3k s ASN 140 Cb -0.12 -0.74 0.17 0.00 1.28 0.00 0.00 41.25 41.84 2h3k s ASN 140 CO 0.02 -3.17 0.50 -1.81 -2.04 0.00 0.00 177.10 170.60 2h3k s ASP 141 N -4.38 5.46 0.40 3.54 1.11 -1.26 -4.88 116.67 116.65 2h3k s ASP 141 Ca 0.71 -2.87 0.28 0.00 0.18 0.00 0.00 52.55 50.85 2h3k s ASP 141 Cb -0.08 -1.91 1.01 0.00 1.07 0.00 0.00 42.92 43.01 2h3k s ASP 141 CO 0.54 -0.39 1.81 1.55 1.18 0.00 0.00 175.17 179.86 2h3k h PRO 142 N 7.09 0.00 0.00 8.23 0.13 -1.91 -3.31 132.00 142.23 2h3k h PRO 142 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2h3k h PRO 142 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2h3k h PRO 142 CO 0.72 0.00 -0.96 -1.13 -0.23 0.00 0.00 178.00 176.40 2h3k n SER 143 N -2.73 4.79 0.00 1.44 3.41 -1.26 -5.16 113.62 114.11 2h3k n SER 143 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2h3k n SER 143 Cb 0.34 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 2h3k n SER 143 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06