#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 1.09 0.00 0.00 1.11 -1.26 -5.07 116.67 112.54 2h3k s ASP 2 Ca 0.00 0.92 0.00 0.00 0.18 0.00 0.00 52.55 53.65 2h3k s ASP 2 Cb 0.00 -1.37 0.00 0.00 1.07 0.00 0.00 42.92 42.62 2h3k s ASP 2 CO 0.00 -4.05 0.00 -1.84 1.18 0.00 0.00 175.17 170.46 2h3k n GLU 3 N -4.75 0.95 -3.77 8.23 0.28 -1.26 -5.13 120.64 115.19 2h3k n GLU 3 Ca 0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.74 2h3k n GLU 3 Cb 0.58 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.38 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 1.00 6.24 0.56 -1.84 0.01 -1.26 -4.78 113.70 113.63 2h3k s SER 4 Ca 0.00 0.28 0.26 0.00 1.31 0.00 0.00 55.95 57.80 2h3k s SER 4 Cb 0.00 -2.08 1.50 0.00 0.21 0.00 0.00 66.02 65.64 2h3k s SER 4 CO 0.00 0.23 2.06 0.25 0.41 0.00 0.00 173.24 176.19 2h3k h LEU 5 N 6.30 0.00 -0.24 2.44 6.46 -1.64 0.07 115.31 128.70 2h3k h LEU 5 Ca -0.44 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.11 2h3k h LEU 5 Cb 1.17 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2h3k h LEU 5 CO 0.72 0.00 -0.89 0.50 -0.62 0.00 0.00 178.44 178.15 2h3k h LYS 6 N 0.00 0.35 -0.62 1.25 3.11 -1.73 -2.69 116.57 116.24 2h3k h LYS 6 Ca 0.14 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 2h3k h LYS 6 Cb 0.63 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2h3k h LYS 6 CO -0.00 1.04 0.00 -0.25 -2.81 0.00 0.00 179.45 177.43 2h3k n ASP 7 N -3.74 3.61 -0.02 4.20 8.00 -0.15 -4.21 116.55 124.25 2h3k n ASP 7 Ca -0.05 -2.15 -0.02 0.00 0.71 0.00 0.00 54.79 53.28 2h3k n ASP 7 Cb 0.80 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h3k n ALA 8 N 1.15 1.92 0.30 2.24 0.00 -0.26 -4.57 120.51 121.30 2h3k n ALA 8 Ca 0.21 -0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2h3k n ALA 8 Cb 0.62 0.19 0.40 0.00 0.00 0.00 0.00 19.45 20.66 2h3k n ALA 8 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2h3k n ILE 9 N -2.14 1.10 -1.86 0.00 -5.35 -1.02 -3.92 119.36 106.18 2h3k n ILE 9 Ca -0.05 0.40 -0.42 0.00 -0.27 0.00 0.00 62.75 62.42 2h3k n ILE 9 Cb 0.60 -1.32 -0.00 0.00 -1.74 0.00 0.00 39.64 37.17 2h3k n ILE 9 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2h3k n LYS 10 N -1.97 3.33 -4.13 6.28 4.76 -1.26 -4.81 118.16 120.36 2h3k n LYS 10 Ca 0.01 -2.87 -0.15 0.00 -2.87 0.00 0.00 58.31 52.43 2h3k n LYS 10 Cb 0.13 -3.06 -0.13 0.00 -1.84 0.00 0.00 35.03 30.13 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 2.15 0.91 0.18 4.39 1.11 -1.25 -5.03 116.67 119.13 2h3k s ASP 11 Ca 0.49 -0.40 0.05 0.00 0.18 0.00 0.00 52.55 52.87 2h3k s ASP 11 Cb 0.14 -0.02 0.05 0.00 1.07 0.00 0.00 42.92 44.16 2h3k s ASP 11 CO -0.06 -0.09 1.42 1.55 1.18 0.00 0.00 175.17 179.18 2h3k h PRO 12 N 5.02 0.11 0.00 8.23 0.13 -1.96 -2.75 132.00 140.78 2h3k h PRO 12 Ca -0.34 -0.12 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2h3k h PRO 12 Cb 1.20 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2h3k h PRO 12 CO 0.44 0.88 -0.75 0.00 -0.23 0.00 0.00 178.00 178.34 2h3k h ALA 13 N 1.08 0.60 -0.59 -0.56 0.00 -1.98 -3.24 119.26 114.56 2h3k h ALA 13 Ca -0.03 -0.68 -0.24 0.00 0.00 0.00 0.00 54.91 53.96 2h3k h ALA 13 Cb 1.44 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2h3k h ALA 13 CO 0.12 0.94 0.20 1.28 0.00 0.00 0.00 179.25 181.78 2h3k n LEU 14 N -3.41 5.22 -0.01 0.00 4.32 -1.21 -4.32 117.00 117.59 2h3k n LEU 14 Ca 0.00 -3.47 -0.06 0.00 -0.02 0.00 0.00 56.01 52.46 2h3k n LEU 14 Cb 0.79 -0.70 -0.13 0.00 -1.62 0.00 0.00 43.42 41.77 2h3k n LEU 14 CO 0.44 1.00 -0.50 1.21 -1.22 0.00 0.00 177.39 178.31 2h3k n GLU 15 N -0.78 0.63 -2.72 3.23 2.13 -1.04 0.51 120.64 122.61 2h3k n GLU 15 Ca 0.40 0.25 -0.08 0.00 0.66 0.00 0.00 57.16 58.38 2h3k n GLU 15 Cb 1.26 -1.78 0.10 0.00 0.27 0.00 0.00 31.44 31.29 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 -2.97 -2.21 -4.87 4.31 3.02 -1.26 -3.97 115.26 107.32 2h3k n ASN 16 Ca -0.16 -3.33 -0.33 0.00 -0.03 0.00 0.00 54.58 50.73 2h3k n ASN 16 Cb 0.99 1.67 -0.05 0.00 -0.61 0.00 0.00 39.78 41.78 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2h3k s LYS 17 N 0.25 3.79 -1.10 3.52 2.36 -1.26 -4.98 119.74 122.31 2h3k s LYS 17 Ca 0.22 0.22 -0.22 0.00 -2.55 0.00 0.00 55.97 53.63 2h3k s LYS 17 Cb 0.32 -2.84 -0.03 0.00 -1.05 0.00 0.00 37.83 34.23 2h3k s LYS 17 CO -0.06 0.45 1.83 -2.00 1.55 0.00 0.00 175.35 177.12 2h3k s GLU 18 N -2.35 2.94 -1.25 4.03 2.12 -1.26 -4.83 118.70 118.10 2h3k s GLU 18 Ca 0.40 -1.06 -0.08 0.00 0.36 0.00 0.00 54.97 54.60 2h3k s GLU 18 Cb -0.13 -5.26 -0.07 0.00 0.26 0.00 0.00 34.13 28.93 2h3k s GLU 18 CO 0.20 -3.24 2.54 -2.39 -0.54 0.00 0.00 175.26 171.84 2h3k n HIS 19 N 12.37 1.86 -2.74 5.30 1.44 -1.26 -4.35 115.22 127.84 2h3k n HIS 19 Ca 0.42 -2.50 -0.07 0.00 -2.01 0.00 0.00 57.72 53.56 2h3k n HIS 19 Cb 0.47 -2.07 0.05 0.00 0.12 0.00 0.00 29.99 28.57 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 3.88 -2.72 -4.15 4.39 -0.08 -1.26 -5.10 116.55 111.50 2h3k n ASP 20 Ca 0.61 -3.09 -0.25 0.00 -1.51 0.00 0.00 54.79 50.54 2h3k n ASP 20 Cb 0.19 1.69 -0.16 0.00 2.34 0.00 0.00 41.12 45.18 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 0.63 1.40 0.00 5.18 1.01 -1.26 -5.06 121.20 123.11 2h3k s ILE 21 Ca 0.31 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2h3k s ILE 21 Cb 0.22 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2h3k s ILE 21 CO -0.22 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2h3k n GLY 22 N 2.88 -1.67 3.72 6.18 0.00 -1.26 -4.94 105.19 110.10 2h3k n GLY 22 Ca -0.16 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 2h3k n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2h3k s PRO 23 N 0.00 0.30 -0.28 1.61 0.04 -1.26 -5.08 135.00 130.33 2h3k s PRO 23 Ca 0.00 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 60.97 2h3k s PRO 23 Cb 0.00 -1.75 0.19 0.00 0.04 0.00 0.00 34.50 32.98 2h3k s PRO 23 CO 0.00 -2.75 1.35 -0.98 0.04 0.00 0.00 177.00 174.66 2h3k s ARG 24 N -5.25 0.07 0.04 4.56 1.70 -1.26 -4.47 118.95 114.34 2h3k s ARG 24 Ca 0.67 0.02 0.01 0.00 -0.47 0.00 0.00 55.73 55.95 2h3k s ARG 24 Cb -0.14 0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 34.27 2h3k s ARG 24 CO 0.55 -0.02 0.03 0.39 -1.08 0.00 0.00 175.30 175.17 2h3k n GLU 25 N 0.55 0.21 -4.13 3.89 1.02 -0.91 -4.89 120.64 116.37 2h3k n GLU 25 Ca -0.01 -0.37 -0.28 0.00 -0.02 0.00 0.00 57.16 56.48 2h3k n GLU 25 Cb 0.59 0.28 -0.17 0.00 -0.02 0.00 0.00 31.44 32.13 2h3k n GLU 25 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2h3k s GLN 26 N -2.15 1.93 -0.12 3.49 -1.52 -1.26 -2.66 119.66 117.36 2h3k s GLN 26 Ca 0.04 -0.43 -0.00 0.00 -1.95 0.00 0.00 55.36 53.02 2h3k s GLN 26 Cb 0.00 -1.79 0.03 0.00 -0.22 0.00 0.00 33.01 31.03 2h3k s GLN 26 CO 0.03 -0.18 -0.08 0.08 -0.25 0.00 0.00 175.29 174.89 2h3k s VAL 27 N 1.37 1.07 0.77 1.09 1.01 0.41 -4.97 120.40 121.15 2h3k s VAL 27 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 2h3k s VAL 27 Cb -0.13 -1.10 0.19 0.00 0.00 0.00 0.00 36.38 35.33 2h3k s VAL 27 CO -0.06 0.35 0.82 -3.20 0.00 0.00 0.00 175.10 173.00 2h3k n ASN 28 N 4.93 -0.97 -3.75 3.32 5.15 -1.26 0.72 115.26 123.40 2h3k n ASN 28 Ca -0.13 -1.12 -0.13 0.00 -0.60 0.00 0.00 54.58 52.61 2h3k n ASN 28 Cb 0.50 -0.69 -0.10 0.00 -0.53 0.00 0.00 39.78 38.95 2h3k n ASN 28 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2h3k s PHE 29 N -2.63 -0.39 -0.37 1.20 -0.12 -1.26 -1.18 117.98 113.23 2h3k s PHE 29 Ca 0.50 0.94 -0.17 0.00 -0.05 0.00 0.00 56.93 58.15 2h3k s PHE 29 Cb -0.03 0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.49 2h3k s PHE 29 CO 0.37 -0.21 0.44 -0.65 -0.05 0.00 0.00 175.22 175.12 2h3k s GLN 30 N 0.08 3.47 -0.21 1.99 1.11 0.89 -4.89 119.66 122.10 2h3k s GLN 30 Ca -0.01 -0.41 -0.23 0.00 0.01 0.00 0.00 55.36 54.72 2h3k s GLN 30 Cb -0.03 -3.85 -0.01 0.00 -1.01 0.00 0.00 33.01 28.11 2h3k s GLN 30 CO 0.01 -0.65 0.76 -0.51 0.01 0.00 0.00 175.29 174.90 2h3k s LEU 31 N 2.20 4.12 0.02 2.90 1.43 -1.26 -1.72 118.68 126.37 2h3k s LEU 31 Ca 0.14 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 2h3k s LEU 31 Cb -0.16 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2h3k s LEU 31 CO 0.13 -0.40 -0.06 -0.76 0.23 0.00 0.00 176.35 175.48 2h3k s LEU 32 N 2.37 2.17 -0.78 1.79 1.43 -0.90 -3.94 118.68 120.81 2h3k s LEU 32 Ca 0.33 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2h3k s LEU 32 Cb -0.16 -0.16 0.27 0.00 0.03 0.00 0.00 46.19 46.17 2h3k s LEU 32 CO 0.10 -0.12 0.97 -0.90 0.23 0.00 0.00 176.35 176.62 2h3k n ASP 33 N 2.02 4.57 -1.87 2.29 5.68 -1.25 -2.16 116.55 125.82 2h3k n ASP 33 Ca -0.19 -3.43 -0.10 0.00 -0.50 0.00 0.00 54.79 50.57 2h3k n ASP 33 Cb 0.56 -0.86 -0.02 0.00 -1.14 0.00 0.00 41.12 39.66 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2h3k n LYS 34 N 1.03 -1.79 -0.61 0.11 4.81 -1.26 -4.62 118.16 115.83 2h3k n LYS 34 Ca 0.28 0.55 -0.01 0.00 -0.87 0.00 0.00 58.31 58.27 2h3k n LYS 34 Cb 0.38 -4.94 -0.01 0.00 0.02 0.00 0.00 35.03 30.49 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 -0.95 -0.06 -2.01 3.14 3.02 -1.26 -4.98 115.26 112.15 2h3k n ASN 35 Ca -0.11 -1.43 -0.10 0.00 -0.03 0.00 0.00 54.58 52.90 2h3k n ASN 35 Cb 0.46 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h3k n ASN 36 N 0.03 -3.10 -4.51 6.41 3.02 -1.26 -4.88 115.26 110.97 2h3k n ASN 36 Ca -0.03 0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 54.34 2h3k n ASN 36 Cb 0.61 -2.78 -0.07 0.00 -0.61 0.00 0.00 39.78 36.93 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 -4.20 3.26 -0.48 3.52 2.56 -1.26 -4.95 118.70 117.14 2h3k s GLU 37 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 54.97 54.32 2h3k s GLU 37 Cb 0.00 -3.95 0.04 0.00 2.00 0.00 0.00 34.13 32.22 2h3k s GLU 37 CO 0.00 -0.97 0.71 0.99 -0.56 0.00 0.00 175.26 175.43 2h3k s THR 38 N 2.68 4.74 -0.80 -1.70 2.01 -1.25 -3.96 115.64 117.34 2h3k s THR 38 Ca 0.20 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 2h3k s THR 38 Cb -0.15 -4.31 0.07 0.00 0.01 0.00 0.00 72.50 68.12 2h3k s THR 38 CO 0.18 -0.78 1.17 -1.10 -0.69 0.00 0.00 174.62 173.40 2h3k s GLN 39 N 3.03 3.32 -0.00 4.92 -1.52 -1.26 -4.83 119.66 123.32 2h3k s GLN 39 Ca 0.23 -0.92 0.06 0.00 -1.95 0.00 0.00 55.36 52.77 2h3k s GLN 39 Cb -0.15 -4.57 0.17 0.00 -0.22 0.00 0.00 33.01 28.25 2h3k s GLN 39 CO 0.17 -1.97 1.13 0.98 -0.25 0.00 0.00 175.29 175.35 2h3k n TYR 40 N 8.12 0.27 -1.52 0.91 9.36 -1.26 -3.62 117.16 129.42 2h3k n TYR 40 Ca 0.10 -0.13 0.07 0.00 3.32 0.00 0.00 57.90 61.26 2h3k n TYR 40 Cb 0.48 -0.01 0.17 0.00 -0.63 0.00 0.00 39.34 39.35 2h3k n TYR 40 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2h3k n TYR 41 N 0.07 0.00 -1.93 2.98 4.02 -1.26 -4.70 117.16 116.35 2h3k n TYR 41 Ca 0.06 -1.21 -0.03 0.00 -0.01 0.00 0.00 57.90 56.72 2h3k n TYR 41 Cb 0.18 -0.20 0.12 0.00 -0.02 0.00 0.00 39.34 39.41 2h3k n TYR 41 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2h3k n HIS 42 N -1.05 0.84 -1.42 -0.72 8.25 -1.24 -4.94 115.22 114.94 2h3k n HIS 42 Ca 0.16 -1.61 -0.42 0.00 -0.26 0.00 0.00 57.72 55.60 2h3k n HIS 42 Cb 0.71 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.52 2h3k n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2h3k n PHE 43 N -0.75 2.45 -0.08 4.41 3.72 -1.26 -4.37 117.46 121.58 2h3k n PHE 43 Ca 0.23 -2.09 -0.08 0.00 -0.05 0.00 0.00 57.45 55.46 2h3k n PHE 43 Cb 0.84 -2.02 -0.11 0.00 -0.94 0.00 0.00 39.48 37.24 2h3k n PHE 43 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2h3k n PHE 44 N 7.81 0.00 0.00 1.38 3.72 -1.26 -4.88 117.46 124.23 2h3k n PHE 44 Ca 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 2h3k n PHE 44 Cb 0.41 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2h3k n PHE 44 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2h3k n SER 45 N -2.62 0.00 -4.71 4.37 7.64 -1.26 -4.05 113.62 112.98 2h3k n SER 45 Ca -0.25 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.32 2h3k n SER 45 Cb 0.96 -0.05 0.13 0.00 -1.01 0.00 0.00 64.21 64.24 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2h3k s ILE 46 N -0.11 2.75 0.16 0.44 -1.09 -1.26 -0.39 121.20 121.69 2h3k s ILE 46 Ca 0.00 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2h3k s ILE 46 Cb 0.00 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.27 2h3k s ILE 46 CO 0.00 -0.32 0.00 1.17 -1.23 0.00 0.00 174.94 174.56 2h3k n LYS 47 N -3.89 0.00 -2.55 2.79 4.81 -1.26 -4.83 118.16 113.23 2h3k n LYS 47 Ca 0.08 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.29 2h3k n LYS 47 Cb 0.54 -0.06 0.09 0.00 0.02 0.00 0.00 35.03 35.62 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 -4.80 4.61 0.35 3.14 1.11 -1.26 -5.05 116.67 114.77 2h3k s ASP 48 Ca 0.00 -0.17 -0.27 0.00 0.18 0.00 0.00 52.55 52.29 2h3k s ASP 48 Cb 0.00 -0.36 -0.09 0.00 1.07 0.00 0.00 42.92 43.54 2h3k s ASP 48 CO 0.00 -1.66 1.12 -2.16 1.18 0.00 0.00 175.17 173.65 2h3k s PRO 49 N -5.07 4.32 0.36 8.23 0.04 -1.26 -4.84 135.00 136.78 2h3k s PRO 49 Ca 0.63 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 63.19 2h3k s PRO 49 Cb -0.07 -2.87 -0.13 0.00 0.04 0.00 0.00 34.50 31.47 2h3k s PRO 49 CO 0.43 -0.07 0.91 0.00 0.04 0.00 0.00 177.00 178.31 2h3k n ALA 50 N 0.52 -0.41 -1.98 8.56 0.00 0.22 -4.44 120.51 122.98 2h3k n ALA 50 Ca 0.02 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.55 2h3k n ALA 50 Cb 0.46 -1.98 0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.71 5.37 -0.31 0.00 1.01 0.17 0.16 116.67 122.36 2h3k s ASP 51 Ca 0.61 -0.14 -0.02 0.00 0.71 0.00 0.00 52.55 53.71 2h3k s ASP 51 Cb -0.64 -0.79 0.11 0.00 1.01 0.00 0.00 42.92 42.60 2h3k s ASP 51 CO 0.58 -1.04 0.14 -0.69 0.21 0.00 0.00 175.17 174.36 2h3k s VAL 52 N -2.65 0.26 -1.11 -1.27 1.01 -1.09 -0.16 120.40 115.39 2h3k s VAL 52 Ca 0.57 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2h3k s VAL 52 Cb -0.10 -1.21 0.13 0.00 0.00 0.00 0.00 36.38 35.19 2h3k s VAL 52 CO 0.37 -0.75 1.38 -0.31 0.00 0.00 0.00 175.10 175.78 2h3k s TYR 53 N 1.78 3.15 -0.14 5.22 1.51 0.39 -2.15 117.35 127.11 2h3k s TYR 53 Ca 0.11 -1.66 -0.29 0.00 -1.01 0.00 0.00 57.07 54.22 2h3k s TYR 53 Cb -0.17 -4.41 -0.04 0.00 -0.11 0.00 0.00 41.96 37.22 2h3k s TYR 53 CO -0.28 -1.55 1.67 0.71 -1.11 0.00 0.00 175.55 174.99 2h3k s TYR 54 N 2.74 2.00 0.00 2.71 2.02 -1.26 -1.95 117.35 123.60 2h3k s TYR 54 Ca 0.41 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 2h3k s TYR 54 Cb -0.02 -3.95 0.00 0.00 -0.40 0.00 0.00 41.96 37.59 2h3k s TYR 54 CO -0.03 -3.41 0.00 0.25 -1.57 0.00 0.00 175.55 170.78 2h3k n THR 55 N 6.06 0.00 0.09 -0.71 -2.24 -1.18 -4.66 114.28 111.64 2h3k n THR 55 Ca 0.19 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 2h3k n THR 55 Cb 0.44 -0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 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 -3.41 116.57 114.08 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 0.39 0.00 1.63 -2.27 0.00 0.00 179.45 179.20 2h3k n LYS 57 N -3.06 0.00 -4.19 1.90 5.02 -1.26 -4.88 118.16 111.70 2h3k n LYS 57 Ca -0.03 0.27 -0.11 0.00 -2.02 0.00 0.00 58.31 56.41 2h3k n LYS 57 Cb 0.77 -0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 34.93 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 0.98 0.67 1.97 2.47 -1.26 -5.01 119.74 118.63 2h3k s LYS 58 Ca 0.00 -1.46 -0.15 0.00 -1.56 0.00 0.00 55.97 52.80 2h3k s LYS 58 Cb 0.00 -0.02 0.01 0.00 -1.46 0.00 0.00 37.83 36.36 2h3k s LYS 58 CO 0.00 -0.18 1.12 0.00 0.16 0.00 0.00 175.35 176.45 2h3k s ALA 59 N -3.84 2.41 -0.32 3.13 0.00 -1.26 -3.09 121.76 118.79 2h3k s ALA 59 Ca 0.22 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 2h3k s ALA 59 Cb 0.07 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.96 2h3k s ALA 59 CO 0.01 -1.37 0.12 -2.00 0.00 0.00 0.00 175.76 172.52 2h3k s GLU 60 N -4.10 0.69 0.76 0.00 2.12 -0.82 -3.39 118.70 113.96 2h3k s GLU 60 Ca 0.68 -1.09 -0.11 0.00 0.36 0.00 0.00 54.97 54.81 2h3k s GLU 60 Cb -0.21 -1.90 0.05 0.00 0.26 0.00 0.00 34.13 32.32 2h3k s GLU 60 CO 0.42 -1.01 1.08 0.08 -0.54 0.00 0.00 175.26 175.29 2h3k s VAL 61 N 1.56 3.48 -0.04 3.70 1.01 -0.78 0.15 120.40 129.48 2h3k s VAL 61 Ca 0.11 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 2h3k s VAL 61 Cb -0.18 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.06 2h3k s VAL 61 CO -0.24 -0.63 0.19 -0.70 0.00 0.00 0.00 175.10 173.72 2h3k s GLU 62 N -5.05 0.37 -0.04 2.72 -6.30 0.77 -2.64 118.70 108.54 2h3k s GLU 62 Ca 0.60 -0.02 -0.01 0.00 -2.50 0.00 0.00 54.97 53.04 2h3k s GLU 62 Cb -0.15 0.17 0.03 0.00 0.00 0.00 0.00 34.13 34.18 2h3k s GLU 62 CO 0.55 -0.08 0.07 -0.51 0.02 0.00 0.00 175.26 175.31 2h3k s LEU 63 N -0.59 0.61 0.09 2.70 1.02 -0.91 0.44 118.68 122.04 2h3k s LEU 63 Ca -0.07 0.12 -0.24 0.00 0.02 0.00 0.00 54.13 53.96 2h3k s LEU 63 Cb -0.04 0.00 -0.07 0.00 0.02 0.00 0.00 46.19 46.11 2h3k s LEU 63 CO 0.01 -0.18 0.74 -0.62 0.02 0.00 0.00 176.35 176.32 2h3k s ASP 64 N 1.57 7.26 -0.35 2.29 2.15 -1.26 -3.04 116.67 125.29 2h3k s ASP 64 Ca -0.03 1.49 -0.02 0.00 0.43 0.00 0.00 52.55 54.42 2h3k s ASP 64 Cb -0.12 -2.47 0.08 0.00 -0.30 0.00 0.00 42.92 40.11 2h3k s ASP 64 CO -0.04 0.12 0.09 -0.63 -0.17 0.00 0.00 175.17 174.54 2h3k s ILE 65 N -0.58 3.12 0.09 4.11 1.09 0.41 -4.10 121.20 125.34 2h3k s ILE 65 Ca 0.36 -1.69 -0.26 0.00 -1.10 0.00 0.00 60.65 57.96 2h3k s ILE 65 Cb -0.21 -2.96 -0.15 0.00 -1.06 0.00 0.00 42.46 38.07 2h3k s ILE 65 CO 0.24 -0.38 1.70 -1.13 -0.10 0.00 0.00 174.94 175.27 2h3k h ASN 66 N 8.01 -0.30 -0.74 3.58 -0.73 -0.93 -0.71 115.58 123.76 2h3k h ASN 66 Ca -0.17 0.02 -0.51 0.00 1.87 0.00 0.00 56.30 57.51 2h3k h ASN 66 Cb 1.05 0.09 -0.12 0.00 0.27 0.00 0.00 38.32 39.61 2h3k h ASN 66 CO 0.60 -0.20 1.07 0.35 -0.37 0.00 0.00 177.43 178.88 2h3k n THR 67 N -5.24 3.82 0.11 -3.57 -2.24 -1.26 -3.61 114.28 102.29 2h3k n THR 67 Ca -0.09 -2.94 0.18 0.00 -2.27 0.00 0.00 64.05 58.94 2h3k n THR 67 Cb 0.16 -1.91 0.75 0.00 -2.10 0.00 0.00 70.33 67.23 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 3.59 2.13 0.00 6.98 0.00 -1.76 0.23 119.26 130.44 2h3k h ALA 68 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2h3k h ALA 68 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2h3k h ALA 68 CO 0.97 -0.49 0.00 0.45 0.00 0.00 0.00 179.25 180.19 2h3k n SER 69 N -4.03 0.00 -0.01 0.00 2.88 -1.26 -2.50 113.62 108.71 2h3k n SER 69 Ca 0.05 0.49 0.10 0.00 -1.33 0.00 0.00 58.87 58.19 2h3k n SER 69 Cb 0.48 -0.50 -0.15 0.00 -0.75 0.00 0.00 64.21 63.30 2h3k n SER 69 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2h3k n THR 70 N -1.50 0.00 -2.59 2.46 -2.24 0.82 -4.94 114.28 106.29 2h3k n THR 70 Ca 0.04 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 2h3k n THR 70 Cb 0.18 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 2h3k n THR 70 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2h3k s TRP 71 N -3.26 3.75 -0.00 4.78 0.52 -1.04 -2.45 118.94 121.24 2h3k s TRP 71 Ca -0.00 1.79 -0.00 0.00 0.02 0.00 0.00 56.10 57.90 2h3k s TRP 71 Cb 0.15 -3.16 -0.00 0.00 -1.15 0.00 0.00 33.47 29.31 2h3k s TRP 71 CO 0.89 -0.13 -0.00 1.17 0.02 0.00 0.00 176.95 178.90 2h3k n LYS 72 N 1.39 0.01 -4.23 4.98 0.00 -1.22 -2.98 118.16 116.11 2h3k n LYS 72 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.07 2h3k n LYS 72 Cb 0.46 -0.59 -0.07 0.00 0.00 0.00 0.00 35.03 34.83 2h3k n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2h3k n LYS 73 N -2.93 0.56 -3.24 1.64 4.81 -1.26 -2.13 118.16 115.61 2h3k n LYS 73 Ca -0.00 -3.22 0.03 0.00 -0.87 0.00 0.00 58.31 54.25 2h3k n LYS 73 Cb 0.50 1.90 -0.04 0.00 0.02 0.00 0.00 35.03 37.42 2h3k n LYS 73 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2h3k s PHE 74 N -3.04 -0.28 -0.40 5.64 2.19 -1.22 -4.30 117.98 116.57 2h3k s PHE 74 Ca 0.23 0.46 0.04 0.00 0.33 0.00 0.00 56.93 57.98 2h3k s PHE 74 Cb 0.01 0.16 0.17 0.00 -1.31 0.00 0.00 43.02 42.05 2h3k s PHE 74 CO 0.16 -0.14 0.33 -1.21 1.83 0.00 0.00 175.22 176.19 2h3k s GLU 75 N 2.26 0.85 0.38 10.12 2.02 0.20 -4.68 118.70 129.85 2h3k s GLU 75 Ca -0.01 -1.96 -0.27 0.00 0.02 0.00 0.00 54.97 52.75 2h3k s GLU 75 Cb -0.03 -1.35 -0.09 0.00 0.10 0.00 0.00 34.13 32.76 2h3k s GLU 75 CO -0.16 -1.36 1.24 0.08 0.02 0.00 0.00 175.26 175.08 2h3k s VAL 76 N 0.24 2.91 -0.12 2.63 1.01 -1.25 -3.02 120.40 122.80 2h3k s VAL 76 Ca 0.31 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 2h3k s VAL 76 Cb -0.00 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.93 2h3k s VAL 76 CO -0.16 0.13 0.29 -0.72 0.00 0.00 0.00 175.10 174.63 2h3k s TYR 77 N -1.28 -0.38 -0.03 5.22 -0.85 -0.89 0.56 117.35 119.71 2h3k s TYR 77 Ca 0.54 0.88 0.06 0.00 -0.52 0.00 0.00 57.07 58.02 2h3k s TYR 77 Cb -0.35 0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.08 2h3k s TYR 77 CO 0.45 -0.23 -0.20 -2.00 -1.52 0.00 0.00 175.55 172.05 2h3k s GLU 78 N 1.03 1.72 0.00 -3.49 -6.30 -1.13 -0.17 118.70 110.36 2h3k s GLU 78 Ca -0.07 -0.70 0.00 0.00 -2.50 0.00 0.00 54.97 51.70 2h3k s GLU 78 Cb -0.08 -1.60 0.00 0.00 0.00 0.00 0.00 34.13 32.45 2h3k s GLU 78 CO -0.07 0.38 0.00 -1.71 0.02 0.00 0.00 175.26 173.88 2h3k n ASN 79 N 2.76 0.00 -1.62 -1.70 2.85 -1.26 -2.49 115.26 113.79 2h3k n ASN 79 Ca -0.16 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.30 2h3k n ASN 79 Cb 0.53 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.58 2h3k n ASN 79 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2h3k n ASN 80 N 1.45 -0.50 -3.45 1.20 4.13 -1.26 -5.11 115.26 111.71 2h3k n ASN 80 Ca 0.00 -1.27 -0.13 0.00 1.68 0.00 0.00 54.58 54.86 2h3k n ASN 80 Cb 0.00 0.22 -0.10 0.00 -1.54 0.00 0.00 39.78 38.36 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2h3k s GLN 81 N 0.04 0.27 -0.45 3.52 0.74 -1.04 -5.11 119.66 117.63 2h3k s GLN 81 Ca 0.02 0.47 -0.29 0.00 0.05 0.00 0.00 55.36 55.62 2h3k s GLN 81 Cb 0.12 -0.64 0.02 0.00 1.10 0.00 0.00 33.01 33.61 2h3k s GLN 81 CO -0.04 -0.58 1.35 0.21 -0.55 0.00 0.00 175.29 175.68 2h3k s LYS 82 N 2.46 3.57 0.10 1.67 2.47 -1.26 -2.84 119.74 125.90 2h3k s LYS 82 Ca 0.09 0.77 -0.30 0.00 -1.56 0.00 0.00 55.97 54.96 2h3k s LYS 82 Cb -0.15 -4.01 -0.06 0.00 -1.46 0.00 0.00 37.83 32.15 2h3k s LYS 82 CO -0.13 -1.58 1.16 -0.51 0.16 0.00 0.00 175.35 174.44 2h3k s LEU 83 N 5.29 4.41 -1.03 5.43 1.43 0.19 -4.92 118.68 129.48 2h3k s LEU 83 Ca 0.57 2.03 -0.23 0.00 -1.03 0.00 0.00 54.13 55.47 2h3k s LEU 83 Cb -0.12 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 2h3k s LEU 83 CO 0.31 -0.38 1.76 -2.16 0.23 0.00 0.00 176.35 176.11 2h3k s PRO 84 N 0.57 3.05 0.15 1.29 0.04 -1.26 -3.85 135.00 134.99 2h3k s PRO 84 Ca 0.55 -0.90 -0.31 0.00 0.04 0.00 0.00 61.00 60.38 2h3k s PRO 84 Cb -0.29 -5.24 -0.10 0.00 0.04 0.00 0.00 34.50 28.90 2h3k s PRO 84 CO 0.31 -2.97 1.65 0.08 0.04 0.00 0.00 177.00 176.12 2h3k s VAL 85 N 7.90 2.59 0.34 -0.36 1.01 -1.26 -4.95 120.40 125.66 2h3k s VAL 85 Ca 0.60 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.93 2h3k s VAL 85 Cb -0.02 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.19 2h3k s VAL 85 CO -0.00 0.02 0.26 -2.11 0.00 0.00 0.00 175.10 173.26 2h3k n ARG 86 N 4.58 0.98 -4.91 2.72 0.00 -1.16 -4.93 116.66 113.94 2h3k n ARG 86 Ca 0.15 -2.16 -0.32 0.00 -0.00 0.00 0.00 57.85 55.52 2h3k n ARG 86 Cb 0.38 0.23 -0.13 0.00 -0.00 0.00 0.00 32.46 32.94 2h3k n ARG 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2h3k s LEU 87 N 0.00 2.62 -0.07 2.89 1.02 -1.26 -2.38 118.68 121.50 2h3k s LEU 87 Ca 0.20 -0.27 0.07 0.00 0.02 0.00 0.00 54.13 54.15 2h3k s LEU 87 Cb -0.02 -1.52 -0.10 0.00 0.02 0.00 0.00 46.19 44.57 2h3k s LEU 87 CO 0.12 0.33 0.04 1.33 0.02 0.00 0.00 176.35 178.19 2h3k n VAL 88 N 2.20 0.48 -3.55 -1.59 0.24 0.29 -4.94 118.33 111.46 2h3k n VAL 88 Ca -0.17 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 2h3k n VAL 88 Cb 0.52 -0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 32.14 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2h3k s SER 89 N -3.85 -0.47 -0.15 -1.34 0.15 -1.23 -4.86 113.70 101.95 2h3k s SER 89 Ca -0.04 0.48 -0.07 0.00 0.70 0.00 0.00 55.95 57.02 2h3k s SER 89 Cb 0.03 0.40 0.06 0.00 -1.71 0.00 0.00 66.02 64.79 2h3k s SER 89 CO 0.32 -0.46 0.34 -0.47 1.20 0.00 0.00 173.24 174.17 2h3k s TYR 90 N -1.32 -0.54 0.53 3.44 5.04 0.18 0.78 117.35 125.46 2h3k s TYR 90 Ca -0.04 1.15 -0.18 0.00 -2.44 0.00 0.00 57.07 55.56 2h3k s TYR 90 Cb -0.00 0.16 -0.07 0.00 0.35 0.00 0.00 41.96 42.40 2h3k s TYR 90 CO 0.03 -0.35 1.03 0.45 -1.34 0.00 0.00 175.55 175.38 2h3k s SER 91 N 1.79 6.21 0.92 4.32 0.15 0.28 -3.68 113.70 123.69 2h3k s SER 91 Ca -0.06 1.80 -0.11 0.00 0.70 0.00 0.00 55.95 58.28 2h3k s SER 91 Cb -0.10 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 2h3k s SER 91 CO -0.11 -0.87 1.09 -2.16 1.20 0.00 0.00 173.24 172.39 2h3k s PRO 92 N -3.71 1.03 0.14 5.44 0.04 -1.25 -3.67 135.00 133.01 2h3k s PRO 92 Ca 0.64 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 2h3k s PRO 92 Cb -0.15 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.75 2h3k s PRO 92 CO 0.28 -2.42 0.97 0.28 0.04 0.00 0.00 177.00 176.15 2h3k n VAL 93 N -4.02 -0.34 -0.07 -0.36 0.31 -1.26 0.13 118.33 112.71 2h3k n VAL 93 Ca 0.07 1.48 0.06 0.00 -0.01 0.00 0.00 64.34 65.94 2h3k n VAL 93 Cb 0.55 -1.94 0.42 0.00 -0.91 0.00 0.00 33.84 31.96 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 -2.17 132.00 134.12 2h3k h PRO 94 Ca 0.21 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.99 2h3k h PRO 94 Cb 0.36 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 2h3k h PRO 94 CO -0.62 0.38 -1.69 0.93 -0.23 0.00 0.00 178.00 176.77 2h3k h GLU 95 N 0.59 0.14 -6.06 0.86 4.39 0.73 -3.49 114.58 111.75 2h3k h GLU 95 Ca 0.23 -0.25 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 2h3k h GLU 95 Cb 0.15 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2h3k h GLU 95 CO -0.06 0.89 -0.99 -3.47 -1.16 0.00 0.00 179.01 174.22 2h3k n ASP 96 N -3.30 -6.66 -3.49 1.42 2.03 0.32 -4.92 116.55 101.94 2h3k n ASP 96 Ca -0.20 0.40 0.01 0.00 0.52 0.00 0.00 54.79 55.52 2h3k n ASP 96 Cb 1.04 -2.84 -0.03 0.00 -0.72 0.00 0.00 41.12 38.57 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 -1.53 -1.22 -0.08 -0.67 3.76 -1.24 -4.39 115.29 109.92 2h3k s HIS 97 Ca 0.18 1.92 0.01 0.00 -0.15 0.00 0.00 55.06 57.01 2h3k s HIS 97 Cb -0.03 0.66 -0.03 0.00 1.11 0.00 0.00 32.58 34.30 2h3k s HIS 97 CO 0.56 -0.62 -0.09 0.00 -0.85 0.00 0.00 174.74 173.74 2h3k s ALA 98 N 2.80 2.88 -0.22 -1.40 0.00 -0.29 0.99 121.76 126.52 2h3k s ALA 98 Ca -0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 2h3k s ALA 98 Cb -0.11 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 2h3k s ALA 98 CO -0.19 0.51 -0.04 0.71 0.00 0.00 0.00 175.76 176.76 2h3k s TYR 99 N -0.59 2.97 0.13 0.00 2.02 0.23 -0.44 117.35 121.67 2h3k s TYR 99 Ca 0.09 -0.94 0.11 0.00 -0.37 0.00 0.00 57.07 55.95 2h3k s TYR 99 Cb -0.12 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2h3k s TYR 99 CO 0.02 -0.55 -0.26 0.96 -1.57 0.00 0.00 175.55 174.15 2h3k s ILE 100 N 1.48 2.34 0.02 2.71 -5.25 -1.17 -0.54 121.20 120.79 2h3k s ILE 100 Ca 0.06 -1.75 0.00 0.00 -0.99 0.00 0.00 60.65 57.97 2h3k s ILE 100 Cb -0.14 -2.05 -0.01 0.00 2.95 0.00 0.00 42.46 43.20 2h3k s ILE 100 CO -0.03 0.07 -0.02 -0.13 -1.79 0.00 0.00 174.94 173.04 2h3k s ARG 101 N -2.13 0.24 -0.02 0.37 0.52 -1.00 -2.13 118.95 114.80 2h3k s ARG 101 Ca 0.15 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.79 2h3k s ARG 101 Cb -0.10 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.45 2h3k s ARG 101 CO 0.07 -0.03 0.25 -0.59 0.02 0.00 0.00 175.30 175.02 2h3k s PHE 102 N -1.08 -0.13 0.65 -0.53 -0.71 -1.08 -2.98 117.98 112.13 2h3k s PHE 102 Ca -0.12 0.20 -0.14 0.00 -1.04 0.00 0.00 56.93 55.83 2h3k s PHE 102 Cb -0.07 0.05 -0.00 0.00 -1.21 0.00 0.00 43.02 41.78 2h3k s PHE 102 CO -0.01 -0.32 1.08 -1.25 -1.34 0.00 0.00 175.22 173.38 2h3k s PRO 103 N -1.14 2.93 -0.32 1.99 0.04 -1.26 -1.86 135.00 135.38 2h3k s PRO 103 Ca -0.12 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.19 2h3k s PRO 103 Cb -0.06 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.66 2h3k s PRO 103 CO 0.03 -1.13 0.37 0.14 0.04 0.00 0.00 177.00 176.45 2h3k s VAL 104 N -2.53 -0.46 0.52 -0.36 -7.23 -1.22 -4.90 120.40 104.23 2h3k s VAL 104 Ca 0.64 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 2h3k s VAL 104 Cb -0.18 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 35.94 2h3k s VAL 104 CO 0.43 -0.44 0.74 -0.94 -0.31 0.00 0.00 175.10 174.58 2h3k s SER 105 N 2.07 5.41 -1.49 4.85 1.04 -1.26 -4.35 113.70 119.96 2h3k s SER 105 Ca 0.12 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2h3k s SER 105 Cb -0.14 -0.97 0.00 0.00 0.10 0.00 0.00 66.02 65.01 2h3k s SER 105 CO -0.21 -1.03 0.00 -0.67 0.98 0.00 0.00 173.24 172.31 2h3k n ASP 106 N -2.25 -4.75 -2.11 7.02 2.03 -1.26 -2.07 116.55 113.15 2h3k n ASP 106 Ca 0.07 0.21 -0.19 0.00 0.52 0.00 0.00 54.79 55.40 2h3k n ASP 106 Cb 0.59 -3.73 -0.02 0.00 -0.72 0.00 0.00 41.12 37.25 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h3k n GLY 107 N -1.06 -0.20 3.05 0.27 0.00 -1.19 -4.80 105.19 101.26 2h3k n GLY 107 Ca -0.17 -0.08 -0.54 0.00 0.00 0.00 0.00 46.02 45.23 2h3k n GLY 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2h3k n THR 108 N -3.86 0.00 -0.13 2.61 -1.04 -0.88 -2.93 114.28 108.05 2h3k n THR 108 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 2h3k n THR 108 Cb 0.67 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 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 2.79 1.74 -3.71 -2.82 7.27 -1.26 -3.05 117.38 118.34 2h3k n GLN 109 Ca 0.23 -0.24 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 2h3k n GLN 109 Cb -0.02 -0.69 -0.16 0.00 2.41 0.00 0.00 30.24 31.77 2h3k n GLN 109 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2h3k s GLU 110 N -0.32 -0.01 0.00 3.69 2.12 -1.26 0.17 118.70 123.09 2h3k s GLU 110 Ca 0.00 0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.71 2h3k s GLU 110 Cb 0.00 -0.32 -0.00 0.00 0.26 0.00 0.00 34.13 34.06 2h3k s GLU 110 CO 0.00 -0.25 -0.03 -0.48 -0.54 0.00 0.00 175.26 173.96 2h3k s LEU 111 N 1.73 2.03 -0.65 2.70 2.34 -1.02 -4.67 118.68 121.14 2h3k s LEU 111 Ca -0.02 -0.10 -0.21 0.00 0.06 0.00 0.00 54.13 53.86 2h3k s LEU 111 Cb -0.12 -0.11 0.09 0.00 -0.56 0.00 0.00 46.19 45.48 2h3k s LEU 111 CO -0.04 -0.00 0.89 -0.54 -1.06 0.00 0.00 176.35 175.59 2h3k s LYS 112 N -0.23 3.12 0.21 1.48 3.01 0.76 -2.10 119.74 125.99 2h3k s LYS 112 Ca -0.01 -1.05 -0.30 0.00 -1.01 0.00 0.00 55.97 53.60 2h3k s LYS 112 Cb -0.02 -4.28 -0.09 0.00 -1.01 0.00 0.00 37.83 32.43 2h3k s LYS 112 CO -0.00 -1.73 1.29 0.42 0.51 0.00 0.00 175.35 175.84 2h3k s ILE 113 N 3.53 3.20 -0.21 2.17 1.01 -0.56 -2.09 121.20 128.26 2h3k s ILE 113 Ca 0.19 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.87 2h3k s ILE 113 Cb -0.18 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2h3k s ILE 113 CO 0.08 0.16 -0.12 -0.69 0.00 0.00 0.00 174.94 174.37 2h3k s VAL 114 N -0.07 1.82 0.14 2.92 1.01 -1.17 -2.70 120.40 122.35 2h3k s VAL 114 Ca 0.55 -1.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 2h3k s VAL 114 Cb -0.36 -1.86 0.07 0.00 0.00 0.00 0.00 36.38 34.23 2h3k s VAL 114 CO 0.39 0.18 1.00 -0.94 0.00 0.00 0.00 175.10 175.74 2h3k s SER 115 N 1.32 -0.16 -0.12 3.32 1.04 -1.22 0.58 113.70 118.46 2h3k s SER 115 Ca -0.02 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 2h3k s SER 115 Cb -0.17 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.47 2h3k s SER 115 CO -0.08 -0.84 0.18 -0.55 0.98 0.00 0.00 173.24 172.92 2h3k s SER 116 N -2.95 0.94 0.16 7.02 0.15 -1.26 -0.38 113.70 117.37 2h3k s SER 116 Ca 0.13 0.19 0.06 0.00 0.70 0.00 0.00 55.95 57.03 2h3k s SER 116 Cb -0.01 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 2h3k s SER 116 CO 0.02 -0.27 0.05 0.42 1.20 0.00 0.00 173.24 174.66 2h3k s THR 117 N 2.30 4.02 -0.05 6.45 -4.23 0.34 -3.38 115.64 121.09 2h3k s THR 117 Ca 0.04 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2h3k s THR 117 Cb -0.13 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.72 2h3k s THR 117 CO -0.07 -0.08 0.12 -1.58 -0.54 0.00 0.00 174.62 172.46 2h3k s GLN 118 N -2.93 0.07 -0.15 3.99 0.74 -1.02 -1.48 119.66 118.88 2h3k s GLN 118 Ca 0.28 0.30 0.18 0.00 0.05 0.00 0.00 55.36 56.17 2h3k s GLN 118 Cb -0.10 -0.16 0.36 0.00 1.10 0.00 0.00 33.01 34.22 2h3k s GLN 118 CO 0.20 -0.14 1.23 -0.89 -0.55 0.00 0.00 175.29 175.14 2h3k n ILE 119 N 4.03 2.03 -2.51 -2.34 -0.00 -1.26 -4.70 119.36 114.61 2h3k n ILE 119 Ca -0.25 -2.27 -0.19 0.00 -0.00 0.00 0.00 62.75 60.04 2h3k n ILE 119 Cb 0.52 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.64 39.91 2h3k n ILE 119 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2h3k n ASP 120 N -1.19 -5.42 -0.08 4.38 2.03 -1.26 -4.88 116.55 110.12 2h3k n ASP 120 Ca 0.18 -0.01 -0.14 0.00 0.52 0.00 0.00 54.79 55.34 2h3k n ASP 120 Cb 0.72 -4.51 -0.09 0.00 -0.72 0.00 0.00 41.12 36.52 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2h3k h ASP 121 N -0.20 0.00 0.00 1.67 1.82 -2.01 -3.49 116.42 114.21 2h3k h ASP 121 Ca -0.45 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 2h3k h ASP 121 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 2h3k h ASP 121 CO 0.53 1.11 0.00 0.61 -1.61 0.00 0.00 179.24 179.87 2h3k n GLY 122 N 1.55 -1.84 0.00 -0.78 0.00 -1.26 -5.15 105.19 97.71 2h3k n GLY 122 Ca -0.18 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2h3k n GLY 122 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2h3k n GLU 123 N -1.82 3.57 -4.63 1.61 0.28 -1.26 -5.11 120.64 113.29 2h3k n GLU 123 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 2h3k n GLU 123 Cb 0.00 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.70 2h3k n GLU 123 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2h3k s GLU 124 N 3.39 2.51 -0.85 3.44 2.12 -1.26 -4.79 118.70 123.26 2h3k s GLU 124 Ca 0.00 -0.67 -0.25 0.00 0.36 0.00 0.00 54.97 54.41 2h3k s GLU 124 Cb 0.00 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.35 2h3k s GLU 124 CO 0.00 -0.01 1.55 0.99 -0.54 0.00 0.00 175.26 177.25 2h3k s THR 125 N 0.83 3.69 -0.43 -1.70 2.01 -0.55 -4.95 115.64 114.54 2h3k s THR 125 Ca -0.09 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 2h3k s THR 125 Cb -0.16 -4.66 0.08 0.00 0.01 0.00 0.00 72.50 67.77 2h3k s THR 125 CO 0.00 -1.58 0.29 0.21 -0.69 0.00 0.00 174.62 172.85 2h3k s ASN 126 N 5.61 5.78 -1.33 3.53 2.47 -1.26 -0.50 114.94 129.22 2h3k s ASN 126 Ca 0.50 -1.44 -0.16 0.00 0.42 0.00 0.00 52.86 52.18 2h3k s ASN 126 Cb -0.06 -2.04 0.08 0.00 -1.45 0.00 0.00 41.25 37.79 2h3k s ASN 126 CO 0.04 -0.56 1.85 -1.22 -3.72 0.00 0.00 177.10 173.49 2h3k n TYR 127 N 5.00 4.25 -0.18 0.43 4.01 0.48 -4.76 117.16 126.39 2h3k n TYR 127 Ca -0.11 -2.95 0.10 0.00 -0.16 0.00 0.00 57.90 54.78 2h3k n TYR 127 Cb 0.43 -2.50 0.40 0.00 -0.31 0.00 0.00 39.34 37.36 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 6.91 0.58 -1.94 7.72 1.82 -1.89 -3.25 116.42 126.38 2h3k h ASP 128 Ca 0.46 0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.91 2h3k h ASP 128 Cb 0.78 -0.11 -0.31 0.00 0.68 0.00 0.00 39.33 40.38 2h3k h ASP 128 CO 1.57 0.35 -0.53 -0.47 -1.61 0.00 0.00 179.24 178.54 2h3k s TYR 129 N -5.60 -0.76 -0.36 0.28 5.04 -1.26 -4.87 117.35 109.82 2h3k s TYR 129 Ca -0.09 0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 54.97 2h3k s TYR 129 Cb 0.20 -0.14 0.07 0.00 0.35 0.00 0.00 41.96 42.44 2h3k s TYR 129 CO 0.77 -0.81 0.12 0.99 -1.34 0.00 0.00 175.55 175.28 2h3k s THR 130 N 2.49 3.45 -0.79 4.34 2.01 -1.10 -4.47 115.64 121.58 2h3k s THR 130 Ca 0.11 -1.52 -0.26 0.00 0.31 0.00 0.00 61.69 60.33 2h3k s THR 130 Cb -0.14 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.29 2h3k s THR 130 CO -0.22 -0.35 1.38 -0.75 -0.69 0.00 0.00 174.62 173.99 2h3k s LYS 131 N 1.28 3.20 -0.55 4.92 2.20 -0.92 -1.49 119.74 128.38 2h3k s LYS 131 Ca 0.01 -0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.14 2h3k s LYS 131 Cb -0.21 -4.45 0.13 0.00 -1.51 0.00 0.00 37.83 31.80 2h3k s LYS 131 CO -0.01 -2.24 0.49 -1.17 -0.36 0.00 0.00 175.35 172.06 2h3k s LEU 132 N 6.00 6.12 -0.47 5.43 0.20 -0.89 -2.12 118.68 132.94 2h3k s LEU 132 Ca 0.41 -1.89 -0.22 0.00 0.69 0.00 0.00 54.13 53.12 2h3k s LEU 132 Cb -0.07 -2.17 0.03 0.00 -0.43 0.00 0.00 46.19 43.56 2h3k s LEU 132 CO 0.10 -0.80 0.74 -0.69 -0.29 0.00 0.00 176.35 175.41 2h3k s VAL 133 N 1.44 4.70 0.99 1.68 1.01 -0.70 -2.43 120.40 127.08 2h3k s VAL 133 Ca 0.05 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 2h3k s VAL 133 Cb -0.28 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 2h3k s VAL 133 CO 0.01 -0.77 -0.13 0.49 0.00 0.00 0.00 175.10 174.70 2h3k n PHE 134 N 6.61 -2.52 0.18 5.22 3.72 0.44 -0.08 117.46 131.03 2h3k n PHE 134 Ca -0.01 0.17 0.05 0.00 -0.05 0.00 0.00 57.45 57.62 2h3k n PHE 134 Cb 0.47 -1.62 0.30 0.00 -0.94 0.00 0.00 39.48 37.69 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 -1.43 0.96 -2.78 4.37 0.00 -1.46 -3.42 119.26 115.50 2h3k h ALA 135 Ca -0.45 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 2h3k h ALA 135 Cb 1.31 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 2h3k h ALA 135 CO 0.31 0.50 -0.12 0.15 0.00 0.00 0.00 179.25 180.09 2h3k s LYS 136 N -3.55 1.34 0.14 0.00 1.02 -1.26 -4.99 119.74 112.45 2h3k s LYS 136 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 2h3k s LYS 136 Cb 0.11 0.46 -0.07 0.00 -0.52 0.00 0.00 37.83 37.80 2h3k s LYS 136 CO 0.70 -0.54 1.24 -1.25 -0.92 0.00 0.00 175.35 174.57 2h3k s PRO 137 N -3.94 4.44 -0.72 -1.68 0.04 -1.26 -4.69 135.00 127.19 2h3k s PRO 137 Ca 0.15 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.87 2h3k s PRO 137 Cb 0.00 -3.27 0.09 0.00 0.04 0.00 0.00 34.50 31.37 2h3k s PRO 137 CO 0.01 -0.20 0.96 0.42 0.04 0.00 0.00 177.00 178.23 2h3k s ILE 138 N 0.42 4.52 -0.26 0.56 -1.09 -1.15 -4.90 121.20 119.31 2h3k s ILE 138 Ca 0.56 -0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 58.11 2h3k s ILE 138 Cb -0.33 -4.67 -0.03 0.00 -1.58 0.00 0.00 42.46 35.85 2h3k s ILE 138 CO 0.34 -1.41 0.10 -0.31 -1.23 0.00 0.00 174.94 172.43 2h3k s TYR 139 N 3.45 3.12 0.94 3.97 2.02 -1.26 -3.15 117.35 126.44 2h3k s TYR 139 Ca 0.23 -0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 56.50 2h3k s TYR 139 Cb -0.15 -2.28 0.15 0.00 -0.40 0.00 0.00 41.96 39.28 2h3k s TYR 139 CO 0.04 -0.33 1.04 -1.71 -1.57 0.00 0.00 175.55 173.03 2h3k n ASN 140 N 4.96 -0.12 -4.06 2.29 2.85 -1.26 -4.96 115.26 114.95 2h3k n ASN 140 Ca -0.16 0.36 -0.35 0.00 -0.11 0.00 0.00 54.58 54.33 2h3k n ASN 140 Cb 0.51 -1.43 -0.10 0.00 1.24 0.00 0.00 39.78 40.00 2h3k n ASN 140 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2h3k s ASP 141 N -2.54 5.08 0.33 1.20 1.11 -1.26 -4.89 116.67 115.70 2h3k s ASP 141 Ca 0.66 -2.99 0.26 0.00 0.18 0.00 0.00 52.55 50.66 2h3k s ASP 141 Cb -0.23 -1.81 1.00 0.00 1.07 0.00 0.00 42.92 42.95 2h3k s ASP 141 CO 0.60 -0.32 1.78 1.55 1.18 0.00 0.00 175.17 179.96 2h3k h PRO 142 N 6.78 0.00 0.00 8.23 0.13 -1.89 -3.33 132.00 141.92 2h3k h PRO 142 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2h3k h PRO 142 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2h3k h PRO 142 CO 0.72 0.00 -0.89 0.43 -0.23 0.00 0.00 178.00 178.03 2h3k n SER 143 N -2.50 4.00 0.00 1.44 7.64 -1.26 -5.12 113.62 117.82 2h3k n SER 143 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2h3k n SER 143 Cb 0.30 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92