#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3k n ASP 2 N 0.00 -6.91 -0.57 0.00 8.00 -1.26 -5.02 116.55 110.79 2h3k n ASP 2 Ca 0.00 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2h3k n ASP 2 Cb 0.00 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 2h3k n ASP 2 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2h3k n GLU 3 N -0.14 3.66 -4.10 -1.24 2.13 -1.26 -5.07 120.64 114.62 2h3k n GLU 3 Ca 0.03 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.50 2h3k n GLU 3 Cb 0.53 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.14 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 -1.00 5.52 0.62 4.31 0.01 -1.26 -4.78 113.70 117.11 2h3k s SER 4 Ca 0.00 0.09 0.29 0.00 1.31 0.00 0.00 55.95 57.63 2h3k s SER 4 Cb 0.00 -1.89 1.51 0.00 0.21 0.00 0.00 66.02 65.86 2h3k s SER 4 CO 0.00 0.21 1.90 0.25 0.41 0.00 0.00 173.24 176.01 2h3k h LEU 5 N 6.39 0.00 0.00 2.44 6.46 -1.77 0.48 115.31 129.32 2h3k h LEU 5 Ca -0.39 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.25 2h3k h LEU 5 Cb 1.18 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.09 2h3k h LEU 5 CO 0.67 0.00 -0.75 0.50 -0.62 0.00 0.00 178.44 178.23 2h3k h LYS 6 N 0.00 0.00 -0.02 1.25 1.63 -1.75 -3.04 116.57 114.65 2h3k h LYS 6 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2h3k h LYS 6 Cb 0.99 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2h3k h LYS 6 CO -0.00 0.42 -0.38 -0.25 -3.45 0.00 0.00 179.45 175.79 2h3k n ASP 7 N -3.11 2.14 -0.09 4.20 8.00 0.15 -4.39 116.55 123.43 2h3k n ASP 7 Ca -0.01 -1.57 -0.10 0.00 0.71 0.00 0.00 54.79 53.82 2h3k n ASP 7 Cb 0.75 0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 42.12 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 0.20 1.55 0.32 2.24 0.00 0.17 -4.31 120.51 120.67 2h3k n ALA 8 Ca 0.10 -1.12 0.21 0.00 0.00 0.00 0.00 53.44 52.63 2h3k n ALA 8 Cb 0.47 -0.10 1.07 0.00 0.00 0.00 0.00 19.45 20.89 2h3k n ALA 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2h3k h ILE 9 N 0.00 0.00 -0.82 0.00 3.07 -1.73 -3.34 117.51 114.68 2h3k h ILE 9 Ca -0.49 -0.10 -0.69 0.00 1.55 0.00 0.00 64.86 65.13 2h3k h ILE 9 Cb 2.01 1.06 -0.08 0.00 -0.27 0.00 0.00 36.82 39.54 2h3k h ILE 9 CO -0.00 0.00 2.30 1.17 -1.05 0.00 0.00 178.15 180.57 2h3k n LYS 10 N -3.01 3.16 -3.68 0.16 3.00 -1.26 -4.77 118.16 111.76 2h3k n LYS 10 Ca -0.02 -3.21 -0.15 0.00 -0.00 0.00 0.00 58.31 54.93 2h3k n LYS 10 Cb 0.11 -3.42 -0.08 0.00 0.00 0.00 0.00 35.03 31.65 2h3k n LYS 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2h3k s ASP 11 N 3.87 -0.38 0.28 3.14 2.15 -1.25 -5.03 116.67 119.44 2h3k s ASP 11 Ca 0.52 0.38 0.11 0.00 0.43 0.00 0.00 52.55 53.99 2h3k s ASP 11 Cb 0.05 0.45 0.36 0.00 -0.30 0.00 0.00 42.92 43.49 2h3k s ASP 11 CO 0.04 -0.47 1.61 1.55 -0.17 0.00 0.00 175.17 177.73 2h3k h PRO 12 N 3.73 0.00 0.08 4.34 0.13 -1.95 -3.03 132.00 135.30 2h3k h PRO 12 Ca -0.29 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.60 2h3k h PRO 12 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2h3k h PRO 12 CO 0.38 0.61 -1.14 0.00 -0.23 0.00 0.00 178.00 177.62 2h3k h ALA 13 N 1.39 0.20 -0.97 -0.56 0.00 -1.97 -3.29 119.26 114.06 2h3k h ALA 13 Ca -0.01 -0.88 -0.65 0.00 0.00 0.00 0.00 54.91 53.38 2h3k h ALA 13 Cb 1.11 -0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.55 2h3k h ALA 13 CO 0.08 1.04 0.73 1.28 0.00 0.00 0.00 179.25 182.38 2h3k n LEU 14 N -3.50 7.39 -0.08 0.00 4.77 -1.20 -4.13 117.00 120.26 2h3k n LEU 14 Ca -0.06 -4.24 -0.05 0.00 -0.03 0.00 0.00 56.01 51.64 2h3k n LEU 14 Cb 0.98 -0.92 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2h3k n LEU 14 CO 0.51 1.46 -1.05 1.21 -1.33 0.00 0.00 177.39 178.20 2h3k n GLU 15 N -0.93 0.72 -2.39 3.23 2.13 -1.15 -0.68 120.64 121.56 2h3k n GLU 15 Ca 0.61 -0.06 -0.03 0.00 0.66 0.00 0.00 57.16 58.34 2h3k n GLU 15 Cb 0.79 -1.51 0.04 0.00 0.27 0.00 0.00 31.44 31.03 2h3k n GLU 15 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2h3k n ASN 16 N -2.61 -1.08 -2.98 4.31 0.23 -1.25 -3.82 115.26 108.04 2h3k n ASN 16 Ca -0.25 -1.76 -0.07 0.00 -0.53 0.00 0.00 54.58 51.97 2h3k n ASN 16 Cb 1.00 0.71 0.07 0.00 -2.08 0.00 0.00 39.78 39.48 2h3k n ASN 16 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2h3k n LYS 17 N -0.60 -2.43 -0.45 -3.83 0.00 -1.26 -4.91 118.16 104.68 2h3k n LYS 17 Ca -0.14 -0.37 0.10 0.00 0.00 0.00 0.00 58.31 57.90 2h3k n LYS 17 Cb 0.69 -0.45 0.32 0.00 0.00 0.00 0.00 35.03 35.60 2h3k n LYS 17 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2h3k n GLU 18 N -2.79 3.02 -3.36 1.64 0.28 -1.26 -4.93 120.64 113.24 2h3k n GLU 18 Ca 0.03 -2.62 -0.24 0.00 -0.16 0.00 0.00 57.16 54.17 2h3k n GLU 18 Cb 0.15 -1.67 0.01 0.00 1.43 0.00 0.00 31.44 31.36 2h3k n GLU 18 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2h3k n HIS 19 N 1.38 -1.95 -1.46 -1.84 8.25 -1.26 -4.50 115.22 113.84 2h3k n HIS 19 Ca 0.24 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 2h3k n HIS 19 Cb 0.70 -3.61 0.00 0.00 1.12 0.00 0.00 29.99 28.20 2h3k n HIS 19 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2h3k n ASP 20 N -2.46 -7.87 -4.23 0.41 -0.08 -1.26 -5.00 116.55 96.07 2h3k n ASP 20 Ca -0.03 1.62 -0.21 0.00 -1.51 0.00 0.00 54.79 54.66 2h3k n ASP 20 Cb 0.56 -4.58 -0.12 0.00 2.34 0.00 0.00 41.12 39.32 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 -4.93 1.41 -5.00 5.18 -1.09 -1.26 -5.09 121.20 110.41 2h3k s ILE 21 Ca 0.00 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.01 2h3k s ILE 21 Cb 0.00 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.57 2h3k s ILE 21 CO 0.00 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.18 2h3k n GLY 22 N 1.20 0.67 3.76 6.18 0.00 -1.26 -5.08 105.19 110.66 2h3k n GLY 22 Ca -0.20 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.00 4.59 0.03 1.61 0.04 -1.26 -5.03 135.00 132.97 2h3k s PRO 23 Ca 0.00 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 2h3k s PRO 23 Cb 0.00 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.45 2h3k s PRO 23 CO 0.00 0.13 0.76 -0.98 0.04 0.00 0.00 177.00 176.95 2h3k s ARG 24 N -1.39 1.01 0.00 4.56 1.70 -1.26 -3.34 118.95 120.23 2h3k s ARG 24 Ca 0.46 -0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.51 2h3k s ARG 24 Cb -0.33 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 2h3k s ARG 24 CO 0.42 -0.41 0.00 0.39 -1.08 0.00 0.00 175.30 174.63 2h3k n GLU 25 N 0.04 1.29 -4.31 3.89 1.02 0.10 -4.95 120.64 117.73 2h3k n GLU 25 Ca -0.14 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.79 2h3k n GLU 25 Cb 0.62 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.91 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 -1.35 0.99 -0.14 3.49 -2.07 -1.26 -1.99 119.66 117.32 2h3k s GLN 26 Ca 0.00 -0.93 -0.14 0.00 -1.82 0.00 0.00 55.36 52.47 2h3k s GLN 26 Cb 0.00 -1.07 0.04 0.00 -1.09 0.00 0.00 33.01 30.89 2h3k s GLN 26 CO 0.00 0.25 0.39 0.08 -1.32 0.00 0.00 175.29 174.70 2h3k s VAL 27 N -1.05 0.00 0.60 3.63 1.01 0.16 -4.82 120.40 119.93 2h3k s VAL 27 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2h3k s VAL 27 Cb -0.09 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.78 2h3k s VAL 27 CO 0.02 -0.01 0.85 0.21 0.00 0.00 0.00 175.10 176.17 2h3k s ASN 28 N 0.16 5.09 -0.02 3.32 2.47 -1.26 0.14 114.94 124.84 2h3k s ASN 28 Ca -0.00 0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.33 2h3k s ASN 28 Cb -0.03 -0.85 0.02 0.00 -1.45 0.00 0.00 41.25 38.94 2h3k s ASN 28 CO 0.01 -1.31 0.05 0.72 -3.72 0.00 0.00 177.10 172.85 2h3k s PHE 29 N -2.91 -0.03 -0.37 0.43 -0.12 -1.26 0.87 117.98 114.60 2h3k s PHE 29 Ca 0.59 0.16 -0.16 0.00 -0.05 0.00 0.00 56.93 57.47 2h3k s PHE 29 Cb -0.10 -0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.20 2h3k s PHE 29 CO 0.40 -0.06 0.38 -0.65 -0.05 0.00 0.00 175.22 175.24 2h3k s GLN 30 N 0.53 3.41 -0.31 1.99 1.11 0.82 -4.90 119.66 122.31 2h3k s GLN 30 Ca -0.04 -0.53 -0.21 0.00 0.01 0.00 0.00 55.36 54.59 2h3k s GLN 30 Cb -0.06 -3.86 -0.01 0.00 -1.01 0.00 0.00 33.01 28.08 2h3k s GLN 30 CO -0.02 -0.62 0.67 -0.51 0.01 0.00 0.00 175.29 174.82 2h3k s LEU 31 N 2.04 4.14 -0.06 2.90 1.43 -1.26 -1.59 118.68 126.28 2h3k s LEU 31 Ca 0.12 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 2h3k s LEU 31 Cb -0.17 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.21 2h3k s LEU 31 CO 0.12 -0.52 0.04 -0.76 0.23 0.00 0.00 176.35 175.46 2h3k s LEU 32 N 2.70 0.32 0.00 1.79 1.43 -1.06 -4.42 118.68 119.44 2h3k s LEU 32 Ca 0.27 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2h3k s LEU 32 Cb -0.15 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.82 2h3k s LEU 32 CO 0.12 -0.24 0.00 0.47 0.23 0.00 0.00 176.35 176.93 2h3k n ASP 33 N 5.25 0.00 -0.85 2.29 8.00 -1.26 -2.60 116.55 127.38 2h3k n ASP 33 Ca -0.05 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.49 2h3k n ASP 33 Cb 0.50 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.75 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 2.21 -0.34 -1.24 4.81 -1.26 -3.73 118.16 118.61 2h3k n LYS 34 Ca 0.00 -1.23 0.03 0.00 -0.87 0.00 0.00 58.31 56.23 2h3k n LYS 34 Cb 0.00 -1.55 0.04 0.00 0.02 0.00 0.00 35.03 33.54 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 0.34 0.68 -3.38 3.14 3.02 -1.26 -4.99 115.26 112.81 2h3k n ASN 35 Ca 0.11 -2.23 -0.24 0.00 -0.03 0.00 0.00 54.58 52.19 2h3k n ASN 35 Cb 0.47 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2h3k n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2h3k n ASN 36 N -0.40 -3.75 -4.19 6.41 5.15 -1.24 -4.90 115.26 112.33 2h3k n ASN 36 Ca 0.04 -0.41 -0.39 0.00 -0.60 0.00 0.00 54.58 53.23 2h3k n ASN 36 Cb 0.66 -3.10 -0.10 0.00 -0.53 0.00 0.00 39.78 36.71 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 -6.03 2.35 -0.15 1.20 2.12 -1.26 -4.96 118.70 111.97 2h3k s GLU 37 Ca 0.41 -1.68 -0.29 0.00 0.36 0.00 0.00 54.97 53.77 2h3k s GLU 37 Cb -0.21 -3.74 -0.06 0.00 0.26 0.00 0.00 34.13 30.38 2h3k s GLU 37 CO 0.50 -1.06 2.07 0.99 -0.54 0.00 0.00 175.26 177.22 2h3k s THR 38 N 1.30 3.09 -0.33 -1.70 2.01 -1.26 -4.38 115.64 114.37 2h3k s THR 38 Ca 0.05 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 2h3k s THR 38 Cb -0.24 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.17 2h3k s THR 38 CO -0.01 -0.05 1.37 -1.10 -0.69 0.00 0.00 174.62 174.14 2h3k s GLN 39 N 5.61 3.78 -0.00 4.92 -0.21 -1.26 -4.91 119.66 127.59 2h3k s GLN 39 Ca 0.93 1.18 -0.00 0.00 0.02 0.00 0.00 55.36 57.49 2h3k s GLN 39 Cb -0.35 -3.95 -0.00 0.00 1.00 0.00 0.00 33.01 29.72 2h3k s GLN 39 CO 0.36 -1.30 -0.01 0.98 -2.12 0.00 0.00 175.29 173.21 2h3k n TYR 40 N 8.13 0.03 -1.32 0.91 9.36 -1.26 -4.52 117.16 128.49 2h3k n TYR 40 Ca 0.16 0.01 -0.34 0.00 3.32 0.00 0.00 57.90 61.05 2h3k n TYR 40 Cb 0.47 -0.26 0.09 0.00 -0.63 0.00 0.00 39.34 39.01 2h3k n TYR 40 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2h3k n TYR 41 N -2.34 3.22 -0.08 2.98 9.36 -1.26 -4.42 117.16 124.62 2h3k n TYR 41 Ca -0.00 -2.90 -0.15 0.00 3.32 0.00 0.00 57.90 58.17 2h3k n TYR 41 Cb 0.01 -1.40 -0.07 0.00 -0.63 0.00 0.00 39.34 37.26 2h3k n TYR 41 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2h3k n HIS 42 N -0.95 0.00 -4.24 2.98 -0.00 -1.26 -5.00 115.22 106.74 2h3k n HIS 42 Ca 0.63 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.48 2h3k n HIS 42 Cb 0.78 -0.60 -0.08 0.00 -0.12 0.00 0.00 29.99 29.96 2h3k n HIS 42 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 2h3k s PHE 43 N -2.31 3.09 -0.33 1.57 -0.71 -1.26 -5.09 117.98 112.94 2h3k s PHE 43 Ca -0.22 0.08 -0.01 0.00 -1.04 0.00 0.00 56.93 55.74 2h3k s PHE 43 Cb 0.07 -1.66 0.11 0.00 -1.21 0.00 0.00 43.02 40.33 2h3k s PHE 43 CO 0.32 0.47 0.13 0.12 -1.34 0.00 0.00 175.22 174.93 2h3k s PHE 44 N -1.13 1.46 0.00 3.49 2.19 -1.26 -4.97 117.98 117.77 2h3k s PHE 44 Ca 0.21 -1.69 0.00 0.00 0.33 0.00 0.00 56.93 55.78 2h3k s PHE 44 Cb -0.12 -1.56 0.00 0.00 -1.31 0.00 0.00 43.02 40.04 2h3k s PHE 44 CO 0.12 -0.86 0.00 -1.13 1.83 0.00 0.00 175.22 175.18 2h3k n SER 45 N 4.68 0.00 -4.74 6.13 3.41 -1.26 -4.46 113.62 117.38 2h3k n SER 45 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2h3k n SER 45 Cb 0.41 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2h3k s ILE 46 N 0.00 2.17 0.00 -1.33 1.09 -1.26 -1.90 121.20 119.96 2h3k s ILE 46 Ca 0.00 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.66 2h3k s ILE 46 Cb 0.00 -3.05 0.00 0.00 -1.06 0.00 0.00 42.46 38.35 2h3k s ILE 46 CO 0.00 -0.02 0.00 1.17 -0.10 0.00 0.00 174.94 175.99 2h3k n LYS 47 N -1.56 0.00 -2.74 2.79 4.81 -1.17 -4.92 118.16 115.37 2h3k n LYS 47 Ca 0.14 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.32 2h3k n LYS 47 Cb 0.47 -0.40 0.01 0.00 0.02 0.00 0.00 35.03 35.13 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 -2.64 6.07 0.52 3.14 1.11 -1.26 -5.06 116.67 118.56 2h3k s ASP 48 Ca 0.00 0.73 -0.20 0.00 0.18 0.00 0.00 52.55 53.27 2h3k s ASP 48 Cb 0.00 -2.01 -0.07 0.00 1.07 0.00 0.00 42.92 41.91 2h3k s ASP 48 CO 0.00 -0.65 1.08 -2.16 1.18 0.00 0.00 175.17 174.61 2h3k s PRO 49 N -4.71 3.58 0.58 8.23 0.04 -1.26 -4.59 135.00 136.87 2h3k s PRO 49 Ca 0.48 1.45 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 2h3k s PRO 49 Cb -0.10 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 2h3k s PRO 49 CO 0.43 -0.63 0.94 0.00 0.04 0.00 0.00 177.00 177.77 2h3k n ALA 50 N -1.18 0.10 -4.03 8.56 0.00 0.37 -4.67 120.51 119.65 2h3k n ALA 50 Ca 0.10 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 2h3k n ALA 50 Cb 0.52 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.73 2h3k n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3k s ASP 51 N -1.17 3.80 -0.22 0.00 1.01 -0.38 0.38 116.67 120.09 2h3k s ASP 51 Ca 0.74 -0.94 -0.27 0.00 0.71 0.00 0.00 52.55 52.78 2h3k s ASP 51 Cb -0.43 -1.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.96 2h3k s ASP 51 CO 0.49 -0.09 0.93 -0.69 0.21 0.00 0.00 175.17 176.02 2h3k s VAL 52 N 1.23 4.77 -0.78 -1.27 1.01 -0.84 0.69 120.40 125.21 2h3k s VAL 52 Ca -0.01 1.80 -0.10 0.00 0.00 0.00 0.00 61.98 63.67 2h3k s VAL 52 Cb -0.16 -4.21 0.21 0.00 0.00 0.00 0.00 36.38 32.21 2h3k s VAL 52 CO -0.09 -0.10 0.69 -0.31 0.00 0.00 0.00 175.10 175.29 2h3k s TYR 53 N 2.85 3.68 -0.36 5.22 1.51 0.18 0.01 117.35 130.44 2h3k s TYR 53 Ca 0.40 -2.26 -0.28 0.00 -1.01 0.00 0.00 57.07 53.92 2h3k s TYR 53 Cb -0.16 -3.63 -0.01 0.00 -0.11 0.00 0.00 41.96 38.06 2h3k s TYR 53 CO 0.08 -0.94 1.71 0.71 -1.11 0.00 0.00 175.55 176.00 2h3k s TYR 54 N -0.01 1.94 0.52 2.71 2.02 -1.21 -1.37 117.35 121.96 2h3k s TYR 54 Ca 0.18 0.64 0.07 0.00 -0.37 0.00 0.00 57.07 57.60 2h3k s TYR 54 Cb -0.13 -4.17 0.04 0.00 -0.40 0.00 0.00 41.96 37.30 2h3k s TYR 54 CO -0.07 -2.69 0.52 0.95 -1.57 0.00 0.00 175.55 172.69 2h3k s THR 55 N 6.63 2.10 0.64 -0.71 -4.23 -1.16 -4.58 115.64 114.33 2h3k s THR 55 Ca 0.75 -1.29 0.41 0.00 -1.18 0.00 0.00 61.69 60.38 2h3k s THR 55 Cb -0.20 -2.39 0.41 0.00 1.34 0.00 0.00 72.50 71.67 2h3k s THR 55 CO 0.33 0.00 2.27 0.50 -0.54 0.00 0.00 174.62 177.18 2h3k h LYS 56 N 0.64 0.00 0.00 3.99 3.64 -1.98 -3.34 116.57 119.53 2h3k h LYS 56 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2h3k h LYS 56 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2h3k h LYS 56 CO 0.52 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 179.33 2h3k n LYS 57 N -3.01 0.00 -4.26 1.90 5.02 -1.26 -5.09 118.16 111.46 2h3k n LYS 57 Ca -0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 2h3k n LYS 57 Cb 0.12 -0.05 -0.10 0.00 -0.02 0.00 0.00 35.03 34.98 2h3k n LYS 57 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h3k s LYS 58 N 0.00 1.17 0.76 1.97 -0.14 -1.25 -5.00 119.74 117.24 2h3k s LYS 58 Ca 0.00 -1.58 -0.11 0.00 -1.36 0.00 0.00 55.97 52.92 2h3k s LYS 58 Cb 0.00 -0.28 0.05 0.00 -1.68 0.00 0.00 37.83 35.93 2h3k s LYS 58 CO 0.00 -0.16 1.10 0.00 -0.76 0.00 0.00 175.35 175.53 2h3k s ALA 59 N -3.67 2.26 -0.27 5.17 0.00 -1.26 -2.99 121.76 121.00 2h3k s ALA 59 Ca 0.26 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 2h3k s ALA 59 Cb 0.06 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 19.99 2h3k s ALA 59 CO 0.06 -1.73 0.15 -1.21 0.00 0.00 0.00 175.76 173.03 2h3k s GLU 60 N -4.75 0.19 0.30 0.00 2.02 -0.47 -3.18 118.70 112.81 2h3k s GLU 60 Ca 0.62 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.96 2h3k s GLU 60 Cb -0.18 -1.18 -0.10 0.00 0.10 0.00 0.00 34.13 32.78 2h3k s GLU 60 CO 0.54 -0.95 1.13 0.08 0.02 0.00 0.00 175.26 176.07 2h3k s VAL 61 N 2.16 3.38 0.30 2.63 1.01 -0.78 0.50 120.40 129.60 2h3k s VAL 61 Ca 0.08 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.49 2h3k s VAL 61 Cb -0.16 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 2h3k s VAL 61 CO -0.31 0.29 -0.08 -0.70 0.00 0.00 0.00 175.10 174.30 2h3k s GLU 62 N -1.63 1.66 0.06 2.72 2.12 0.22 -1.35 118.70 122.50 2h3k s GLU 62 Ca 0.47 -1.84 0.01 0.00 0.36 0.00 0.00 54.97 53.96 2h3k s GLU 62 Cb -0.32 -1.39 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 2h3k s GLU 62 CO 0.41 0.09 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.65 2h3k s LEU 63 N -3.51 2.38 -0.46 2.70 1.02 0.13 -1.25 118.68 119.69 2h3k s LEU 63 Ca 0.31 -0.77 -0.03 0.00 0.02 0.00 0.00 54.13 53.66 2h3k s LEU 63 Cb 0.03 -0.02 0.12 0.00 0.02 0.00 0.00 46.19 46.34 2h3k s LEU 63 CO 0.14 -0.38 0.27 -0.62 0.02 0.00 0.00 176.35 175.78 2h3k s ASP 64 N -2.27 5.26 0.47 2.29 2.15 -1.26 -2.97 116.67 120.34 2h3k s ASP 64 Ca -0.01 -2.24 -0.15 0.00 0.43 0.00 0.00 52.55 50.59 2h3k s ASP 64 Cb -0.02 -1.84 -0.08 0.00 -0.30 0.00 0.00 42.92 40.69 2h3k s ASP 64 CO -0.03 -0.50 0.90 -0.63 -0.17 0.00 0.00 175.17 174.73 2h3k s ILE 65 N 0.85 4.62 -0.08 4.11 1.09 -0.29 -3.03 121.20 128.47 2h3k s ILE 65 Ca 0.10 1.01 0.01 0.00 -1.10 0.00 0.00 60.65 60.68 2h3k s ILE 65 Cb -0.22 -3.72 -0.06 0.00 -1.06 0.00 0.00 42.46 37.41 2h3k s ILE 65 CO -0.04 -0.60 -0.06 0.59 -0.10 0.00 0.00 174.94 174.74 2h3k n ASN 66 N -1.40 3.40 -3.55 3.58 4.13 -0.80 -2.19 115.26 118.43 2h3k n ASN 66 Ca 0.05 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.87 2h3k n ASN 66 Cb 0.54 -0.01 0.02 0.00 -1.54 0.00 0.00 39.78 38.80 2h3k n ASN 66 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2h3k n THR 67 N -2.65 5.81 0.30 3.41 -2.24 -1.26 -3.64 114.28 114.01 2h3k n THR 67 Ca -0.13 -5.81 0.18 0.00 -2.27 0.00 0.00 64.05 56.01 2h3k n THR 67 Cb 0.66 -1.52 1.01 0.00 -2.10 0.00 0.00 70.33 68.38 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 4.06 1.38 0.00 6.98 0.00 -1.85 0.24 119.26 130.08 2h3k h ALA 68 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2h3k h ALA 68 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2h3k h ALA 68 CO 1.20 -0.03 0.00 0.45 0.00 0.00 0.00 179.25 180.87 2h3k n SER 69 N -3.58 0.46 -0.08 0.00 2.88 -1.26 -2.92 113.62 109.10 2h3k n SER 69 Ca -0.03 0.60 -0.06 0.00 -1.33 0.00 0.00 58.87 58.05 2h3k n SER 69 Cb 0.10 -0.70 -0.16 0.00 -0.75 0.00 0.00 64.21 62.70 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 -1.99 1.12 -1.95 2.46 -2.24 0.06 -4.94 114.28 106.79 2h3k n THR 70 Ca 0.03 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 2h3k n THR 70 Cb 0.23 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 2h3k n THR 70 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2h3k s TRP 71 N -2.63 2.93 -0.02 4.78 0.52 -1.15 -3.14 118.94 120.23 2h3k s TRP 71 Ca -0.09 1.02 -0.01 0.00 0.02 0.00 0.00 56.10 57.04 2h3k s TRP 71 Cb 0.07 -3.88 -0.01 0.00 -1.15 0.00 0.00 33.47 28.50 2h3k s TRP 71 CO 0.81 -2.82 -0.03 1.17 0.02 0.00 0.00 176.95 176.10 2h3k n LYS 72 N 2.02 0.05 -4.36 4.98 0.00 -1.26 -3.32 118.16 116.28 2h3k n LYS 72 Ca 0.06 0.02 -0.18 0.00 0.00 0.00 0.00 58.31 58.21 2h3k n LYS 72 Cb 0.40 -0.73 -0.10 0.00 0.00 0.00 0.00 35.03 34.59 2h3k n LYS 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2h3k s LYS 73 N -2.04 1.47 -0.29 1.64 2.20 -1.26 -2.96 119.74 118.49 2h3k s LYS 73 Ca -0.03 -1.80 -0.17 0.00 -0.36 0.00 0.00 55.97 53.61 2h3k s LYS 73 Cb 0.01 -0.52 0.18 0.00 -1.51 0.00 0.00 37.83 36.00 2h3k s LYS 73 CO 0.05 -0.23 1.18 0.12 -0.36 0.00 0.00 175.35 176.11 2h3k s PHE 74 N -3.55 -0.25 -0.43 4.03 5.36 -1.22 -4.23 117.98 117.70 2h3k s PHE 74 Ca 0.36 0.51 0.06 0.00 -0.96 0.00 0.00 56.93 56.89 2h3k s PHE 74 Cb 0.08 0.20 0.18 0.00 -0.34 0.00 0.00 43.02 43.14 2h3k s PHE 74 CO 0.13 -0.12 0.71 -1.21 -1.46 0.00 0.00 175.22 173.27 2h3k s GLU 75 N 0.98 0.80 0.43 10.12 2.02 -0.72 -4.73 118.70 127.61 2h3k s GLU 75 Ca -0.06 -0.45 -0.26 0.00 0.02 0.00 0.00 54.97 54.22 2h3k s GLU 75 Cb -0.03 0.05 -0.09 0.00 0.10 0.00 0.00 34.13 34.16 2h3k s GLU 75 CO -0.12 -1.11 1.45 0.08 0.02 0.00 0.00 175.26 175.59 2h3k s VAL 76 N 1.58 2.04 -0.02 2.63 1.01 -1.25 -3.71 120.40 122.68 2h3k s VAL 76 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 2h3k s VAL 76 Cb -0.02 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.37 2h3k s VAL 76 CO -0.07 0.01 0.03 -0.72 0.00 0.00 0.00 175.10 174.34 2h3k s TYR 77 N -1.18 0.02 -0.03 5.22 -0.85 0.17 0.12 117.35 120.81 2h3k s TYR 77 Ca 0.59 0.13 -0.02 0.00 -0.52 0.00 0.00 57.07 57.25 2h3k s TYR 77 Cb -0.45 -0.21 0.02 0.00 0.38 0.00 0.00 41.96 41.70 2h3k s TYR 77 CO 0.59 -0.08 0.08 -2.00 -1.52 0.00 0.00 175.55 172.61 2h3k s GLU 78 N 0.98 0.05 -0.91 -3.49 -6.30 -0.89 -1.18 118.70 106.97 2h3k s GLU 78 Ca -0.08 0.19 -0.00 0.00 -2.50 0.00 0.00 54.97 52.58 2h3k s GLU 78 Cb -0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 34.13 33.92 2h3k s GLU 78 CO -0.03 -0.09 0.76 -1.71 0.02 0.00 0.00 175.26 174.21 2h3k n ASN 79 N 3.65 -2.17 -3.87 -1.70 2.85 -1.26 -3.06 115.26 109.70 2h3k n ASN 79 Ca -0.20 -0.47 -0.25 0.00 -0.11 0.00 0.00 54.58 53.55 2h3k n ASN 79 Cb 0.55 -4.02 0.00 0.00 1.24 0.00 0.00 39.78 37.55 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 -2.63 -1.20 -3.19 1.20 4.13 -1.26 -4.95 115.26 107.37 2h3k n ASN 80 Ca -0.21 -0.91 0.01 0.00 1.68 0.00 0.00 54.58 55.14 2h3k n ASN 80 Cb 0.63 -3.50 -0.02 0.00 -1.54 0.00 0.00 39.78 35.35 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 -6.36 0.52 -0.18 3.52 0.74 -1.17 -5.12 119.66 111.61 2h3k s GLN 81 Ca 0.10 0.61 -0.29 0.00 0.05 0.00 0.00 55.36 55.83 2h3k s GLN 81 Cb -0.05 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.23 2h3k s GLN 81 CO 0.86 -0.90 1.40 0.21 -0.55 0.00 0.00 175.29 176.31 2h3k s LYS 82 N 2.77 4.08 0.03 1.67 2.47 -1.26 -2.09 119.74 127.41 2h3k s LYS 82 Ca 0.13 1.67 -0.28 0.00 -1.56 0.00 0.00 55.97 55.93 2h3k s LYS 82 Cb -0.12 -3.88 -0.04 0.00 -1.46 0.00 0.00 37.83 32.33 2h3k s LYS 82 CO -0.24 -0.92 0.88 -0.51 0.16 0.00 0.00 175.35 174.71 2h3k s LEU 83 N 4.08 4.41 -0.62 5.43 1.43 0.32 -4.94 118.68 128.80 2h3k s LEU 83 Ca 0.61 1.57 -0.27 0.00 -1.03 0.00 0.00 54.13 55.01 2h3k s LEU 83 Cb -0.23 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2h3k s LEU 83 CO 0.22 -0.13 1.57 -2.16 0.23 0.00 0.00 176.35 176.08 2h3k s PRO 84 N 0.48 3.01 0.22 1.29 0.04 -1.26 -3.83 135.00 134.94 2h3k s PRO 84 Ca 0.45 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.57 2h3k s PRO 84 Cb -0.21 -4.25 -0.09 0.00 0.04 0.00 0.00 34.50 29.99 2h3k s PRO 84 CO 0.26 -2.31 1.30 0.54 0.04 0.00 0.00 177.00 176.84 2h3k s VAL 85 N 7.20 3.14 0.17 -0.36 0.11 -1.26 -4.91 120.40 124.48 2h3k s VAL 85 Ca 0.55 0.97 0.10 0.00 -2.93 0.00 0.00 61.98 60.66 2h3k s VAL 85 Cb -0.11 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 2h3k s VAL 85 CO 0.21 0.16 -0.16 0.00 -3.33 0.00 0.00 175.10 171.98 2h3k s ARG 86 N -0.39 1.82 -0.17 1.54 3.03 -1.18 -4.87 118.95 118.73 2h3k s ARG 86 Ca 0.55 -1.32 -0.10 0.00 2.03 0.00 0.00 55.73 56.89 2h3k s ARG 86 Cb -0.37 -2.05 -0.05 0.00 -1.03 0.00 0.00 34.95 31.45 2h3k s ARG 86 CO 0.40 0.44 0.17 -1.17 -1.13 0.00 0.00 175.30 174.01 2h3k s LEU 87 N -2.59 4.26 -0.21 -1.89 0.20 -1.26 -2.24 118.68 114.95 2h3k s LEU 87 Ca 0.22 0.35 0.16 0.00 0.69 0.00 0.00 54.13 55.55 2h3k s LEU 87 Cb -0.09 -2.15 -0.24 0.00 -0.43 0.00 0.00 46.19 43.28 2h3k s LEU 87 CO 0.12 0.22 0.03 1.33 -0.29 0.00 0.00 176.35 177.76 2h3k n VAL 88 N 3.14 1.40 -3.55 1.68 0.24 -0.89 -5.00 118.33 115.35 2h3k n VAL 88 Ca -0.16 -0.82 -0.11 0.00 -2.04 0.00 0.00 64.34 61.22 2h3k n VAL 88 Cb 0.53 -0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 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 -5.64 -0.39 -0.15 -1.34 0.15 -1.24 -4.59 113.70 100.50 2h3k s SER 89 Ca -0.14 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.75 2h3k s SER 89 Cb 0.06 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.79 2h3k s SER 89 CO 0.80 -0.45 0.35 -0.47 1.20 0.00 0.00 173.24 174.66 2h3k s TYR 90 N -1.74 -0.55 0.51 3.44 5.04 0.14 0.01 117.35 124.20 2h3k s TYR 90 Ca -0.01 1.17 -0.20 0.00 -2.44 0.00 0.00 57.07 55.60 2h3k s TYR 90 Cb -0.01 0.17 -0.07 0.00 0.35 0.00 0.00 41.96 42.40 2h3k s TYR 90 CO -0.01 -0.35 1.06 -1.12 -1.34 0.00 0.00 175.55 173.80 2h3k s SER 91 N 1.80 6.14 0.91 4.32 0.01 0.39 -3.61 113.70 123.65 2h3k s SER 91 Ca -0.06 1.99 -0.11 0.00 1.31 0.00 0.00 55.95 59.07 2h3k s SER 91 Cb -0.10 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.70 2h3k s SER 91 CO -0.11 -0.92 1.09 -2.16 0.41 0.00 0.00 173.24 171.55 2h3k s PRO 92 N -3.30 1.14 0.15 12.44 0.04 -1.26 -3.62 135.00 140.59 2h3k s PRO 92 Ca 0.68 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2h3k s PRO 92 Cb -0.18 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.72 2h3k s PRO 92 CO 0.23 -2.35 1.02 0.28 0.04 0.00 0.00 177.00 176.22 2h3k n VAL 93 N -3.97 -0.35 -0.18 -0.36 0.31 -1.26 0.12 118.33 112.64 2h3k n VAL 93 Ca 0.07 1.54 0.06 0.00 -0.01 0.00 0.00 64.34 66.01 2h3k n VAL 93 Cb 0.55 -2.03 0.35 0.00 -0.91 0.00 0.00 33.84 31.79 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 0.74 0.04 5.55 0.13 -2.03 -2.02 132.00 134.41 2h3k h PRO 94 Ca 0.23 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 65.02 2h3k h PRO 94 Cb 0.39 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.32 2h3k h PRO 94 CO -0.65 0.49 -1.62 0.93 -0.23 0.00 0.00 178.00 176.92 2h3k h GLU 95 N 0.76 0.08 -6.02 0.86 3.07 0.35 -3.49 114.58 110.20 2h3k h GLU 95 Ca 0.31 -0.14 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 2h3k h GLU 95 Cb 0.24 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2h3k h GLU 95 CO -0.10 0.78 -0.99 -3.47 -1.40 0.00 0.00 179.01 173.82 2h3k n ASP 96 N -3.22 -6.81 -3.38 1.42 -0.08 0.33 -4.92 116.55 99.89 2h3k n ASP 96 Ca -0.16 0.52 0.02 0.00 -1.51 0.00 0.00 54.79 53.65 2h3k n ASP 96 Cb 1.03 -2.88 -0.03 0.00 2.34 0.00 0.00 41.12 41.59 2h3k n ASP 96 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2h3k s HIS 97 N -1.44 -1.08 -0.14 -0.67 3.76 -1.24 -4.44 115.29 110.05 2h3k s HIS 97 Ca 0.12 1.56 -0.02 0.00 -0.15 0.00 0.00 55.06 56.58 2h3k s HIS 97 Cb -0.02 0.53 -0.02 0.00 1.11 0.00 0.00 32.58 34.18 2h3k s HIS 97 CO 0.47 -0.56 -0.08 0.00 -0.85 0.00 0.00 174.74 173.72 2h3k s ALA 98 N 2.75 2.81 -0.16 -1.40 0.00 -0.93 0.15 121.76 124.98 2h3k s ALA 98 Ca 0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 2h3k s ALA 98 Cb -0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2h3k s ALA 98 CO -0.18 0.25 -0.01 0.71 0.00 0.00 0.00 175.76 176.53 2h3k s TYR 99 N 0.30 3.09 0.19 0.00 1.51 0.10 -1.13 117.35 121.42 2h3k s TYR 99 Ca -0.07 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2h3k s TYR 99 Cb -0.15 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.66 2h3k s TYR 99 CO 0.04 0.01 0.03 0.96 -1.11 0.00 0.00 175.55 175.48 2h3k s ILE 100 N 0.39 0.64 -0.09 2.71 -5.25 -1.16 -2.10 121.20 116.34 2h3k s ILE 100 Ca -0.02 -1.99 -0.30 0.00 -0.99 0.00 0.00 60.65 57.35 2h3k s ILE 100 Cb -0.14 -2.26 0.07 0.00 2.95 0.00 0.00 42.46 43.09 2h3k s ILE 100 CO 0.02 -0.35 0.71 0.00 -1.79 0.00 0.00 174.94 173.54 2h3k s ARG 101 N -3.95 0.99 0.11 0.37 1.04 -0.95 -0.69 118.95 115.87 2h3k s ARG 101 Ca 0.28 0.35 0.03 0.00 -1.04 0.00 0.00 55.73 55.35 2h3k s ARG 101 Cb 0.06 0.47 -0.04 0.00 -2.04 0.00 0.00 34.95 33.40 2h3k s ARG 101 CO 0.07 -0.29 -0.09 -0.59 -0.04 0.00 0.00 175.30 174.36 2h3k s PHE 102 N -0.96 1.03 0.73 5.89 -0.71 -0.46 -3.11 117.98 120.40 2h3k s PHE 102 Ca -0.09 -0.79 -0.11 0.00 -1.04 0.00 0.00 56.93 54.91 2h3k s PHE 102 Cb -0.01 -0.56 0.03 0.00 -1.21 0.00 0.00 43.02 41.27 2h3k s PHE 102 CO 0.08 -0.04 1.07 -1.25 -1.34 0.00 0.00 175.22 173.74 2h3k s PRO 103 N -3.46 2.64 -0.28 1.99 0.04 -1.26 -1.87 135.00 132.81 2h3k s PRO 103 Ca 0.11 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 2h3k s PRO 103 Cb 0.02 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2h3k s PRO 103 CO -0.02 -1.31 0.14 0.14 0.04 0.00 0.00 177.00 175.99 2h3k s VAL 104 N -3.02 -0.11 0.18 -0.36 -7.23 -1.19 -4.86 120.40 103.80 2h3k s VAL 104 Ca 0.59 -0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 60.03 2h3k s VAL 104 Cb -0.15 -0.94 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 2h3k s VAL 104 CO 0.55 -0.65 0.45 -0.55 -0.31 0.00 0.00 175.10 174.59 2h3k s SER 105 N 2.13 6.55 -1.31 4.85 0.15 -1.26 -4.22 113.70 120.60 2h3k s SER 105 Ca 0.08 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2h3k s SER 105 Cb -0.16 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2h3k s SER 105 CO -0.33 0.00 0.00 -0.67 1.20 0.00 0.00 173.24 173.44 2h3k n ASP 106 N 0.02 -4.52 -2.05 5.45 -0.08 -1.26 -2.28 116.55 111.83 2h3k n ASP 106 Ca -0.01 0.06 -0.18 0.00 -1.51 0.00 0.00 54.79 53.14 2h3k n ASP 106 Cb 0.52 -3.60 -0.01 0.00 2.34 0.00 0.00 41.12 40.37 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 -1.05 -0.22 3.22 0.27 0.00 -1.24 -4.81 105.19 101.37 2h3k n GLY 107 Ca -0.17 -0.11 -0.58 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 -3.90 0.00 0.11 2.61 -1.04 -0.97 -2.51 114.28 108.59 2h3k n THR 108 Ca -0.22 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.81 2h3k n THR 108 Cb 0.66 -0.41 0.01 0.00 -1.82 0.00 0.00 70.33 68.76 2h3k n THR 108 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2h3k n GLN 109 N 3.35 0.97 -3.70 -2.82 0.00 -1.26 -2.95 117.38 110.97 2h3k n GLN 109 Ca 0.26 -0.51 -0.15 0.00 -0.00 0.00 0.00 57.00 56.61 2h3k n GLN 109 Cb -0.05 -0.95 -0.15 0.00 0.00 0.00 0.00 30.24 29.10 2h3k n GLN 109 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2h3k s GLU 110 N -0.46 0.08 0.11 3.69 2.02 -1.26 0.73 118.70 123.61 2h3k s GLU 110 Ca 0.03 0.53 -0.00 0.00 0.02 0.00 0.00 54.97 55.54 2h3k s GLU 110 Cb 0.02 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.01 2h3k s GLU 110 CO 0.05 -0.25 -0.00 -0.48 0.02 0.00 0.00 175.26 174.60 2h3k s LEU 111 N 1.86 2.19 -0.16 1.80 2.34 -0.55 -4.87 118.68 121.29 2h3k s LEU 111 Ca -0.02 -1.10 -0.04 0.00 0.06 0.00 0.00 54.13 53.02 2h3k s LEU 111 Cb -0.12 0.15 -0.03 0.00 -0.56 0.00 0.00 46.19 45.63 2h3k s LEU 111 CO -0.06 -0.62 -0.02 -0.54 -1.06 0.00 0.00 176.35 174.05 2h3k s LYS 112 N -3.95 3.72 0.09 1.48 3.01 -0.32 -0.31 119.74 123.46 2h3k s LYS 112 Ca 0.16 -0.49 -0.06 0.00 -1.01 0.00 0.00 55.97 54.57 2h3k s LYS 112 Cb 0.07 -2.97 -0.05 0.00 -1.01 0.00 0.00 37.83 33.87 2h3k s LYS 112 CO -0.03 0.26 0.35 0.42 0.51 0.00 0.00 175.35 176.86 2h3k s ILE 113 N 0.34 5.18 -0.15 2.17 1.01 0.30 0.41 121.20 130.47 2h3k s ILE 113 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 2h3k s ILE 113 Cb -0.14 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.76 2h3k s ILE 113 CO 0.02 0.19 0.01 -0.69 0.00 0.00 0.00 174.94 174.47 2h3k s VAL 114 N -1.50 0.57 -0.00 2.92 1.01 -1.24 -1.98 120.40 120.18 2h3k s VAL 114 Ca 0.35 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 2h3k s VAL 114 Cb -0.13 -0.90 0.10 0.00 0.00 0.00 0.00 36.38 35.45 2h3k s VAL 114 CO 0.21 0.01 0.93 -0.55 0.00 0.00 0.00 175.10 175.70 2h3k s SER 115 N 1.86 -0.32 -0.28 3.32 0.15 -1.26 -1.76 113.70 115.41 2h3k s SER 115 Ca 0.01 -0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 2h3k s SER 115 Cb -0.15 0.37 0.10 0.00 -1.71 0.00 0.00 66.02 64.63 2h3k s SER 115 CO -0.07 -0.62 0.14 -0.44 1.20 0.00 0.00 173.24 173.46 2h3k s SER 116 N -2.52 3.27 0.57 5.45 0.01 -1.26 -2.53 113.70 116.69 2h3k s SER 116 Ca 0.06 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.17 2h3k s SER 116 Cb -0.01 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.01 2h3k s SER 116 CO -0.07 -0.43 0.80 0.42 0.41 0.00 0.00 173.24 174.37 2h3k s THR 117 N 2.13 2.55 -0.16 1.44 -4.23 -0.62 -4.15 115.64 112.59 2h3k s THR 117 Ca 0.08 -0.72 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 2h3k s THR 117 Cb -0.16 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.92 2h3k s THR 117 CO -0.34 0.00 0.38 -1.58 -0.54 0.00 0.00 174.62 172.54 2h3k s GLN 118 N -4.78 0.35 -0.23 3.99 0.74 -1.19 -1.05 119.66 117.48 2h3k s GLN 118 Ca 0.59 0.79 0.13 0.00 0.05 0.00 0.00 55.36 56.92 2h3k s GLN 118 Cb -0.09 0.01 0.50 0.00 1.10 0.00 0.00 33.01 34.53 2h3k s GLN 118 CO 0.39 -0.18 1.43 -0.89 -0.55 0.00 0.00 175.29 175.49 2h3k n ILE 119 N 4.44 2.40 -2.86 -2.34 -0.00 -1.26 -4.75 119.36 114.98 2h3k n ILE 119 Ca -0.21 -2.35 -0.16 0.00 -0.00 0.00 0.00 62.75 60.03 2h3k n ILE 119 Cb 0.54 -0.29 -0.00 0.00 -0.00 0.00 0.00 39.64 39.89 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 -0.90 -3.51 0.09 4.38 8.00 -1.26 -4.79 116.55 118.55 2h3k n ASP 120 Ca 0.27 -0.04 0.12 0.00 0.71 0.00 0.00 54.79 55.85 2h3k n ASP 120 Cb 0.95 -2.97 0.08 0.00 -0.02 0.00 0.00 41.12 39.16 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2h3k h ASP 121 N -0.43 0.00 0.00 -2.24 1.82 -2.02 -3.48 116.42 110.07 2h3k h ASP 121 Ca -0.32 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2h3k h ASP 121 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2h3k h ASP 121 CO 0.39 0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.68 2h3k n GLY 122 N 1.24 -0.43 3.70 -0.78 0.00 -1.26 -5.13 105.19 102.53 2h3k n GLY 122 Ca 0.02 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 2h3k n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h3k s GLU 123 N 0.00 2.29 0.41 1.61 2.12 -1.26 -5.11 118.70 118.76 2h3k s GLU 123 Ca 0.00 -1.59 -0.23 0.00 0.36 0.00 0.00 54.97 53.51 2h3k s GLU 123 Cb 0.00 -2.11 -0.10 0.00 0.26 0.00 0.00 34.13 32.19 2h3k s GLU 123 CO 0.00 0.13 1.00 -2.00 -0.54 0.00 0.00 175.26 173.85 2h3k s GLU 124 N -3.80 4.19 -0.89 4.30 2.12 -1.26 -4.76 118.70 118.59 2h3k s GLU 124 Ca 0.36 1.34 -0.15 0.00 0.36 0.00 0.00 54.97 56.89 2h3k s GLU 124 Cb -0.02 -2.40 0.20 0.00 0.26 0.00 0.00 34.13 32.17 2h3k s GLU 124 CO 0.22 -0.09 0.90 0.99 -0.54 0.00 0.00 175.26 176.74 2h3k s THR 125 N -1.85 5.43 -0.49 -1.70 2.01 -0.22 -4.99 115.64 113.82 2h3k s THR 125 Ca 0.59 -2.36 -0.15 0.00 0.31 0.00 0.00 61.69 60.08 2h3k s THR 125 Cb -0.17 -4.57 0.10 0.00 0.01 0.00 0.00 72.50 67.87 2h3k s THR 125 CO 0.21 -1.17 0.42 0.20 -0.69 0.00 0.00 174.62 173.59 2h3k s ASN 126 N 2.44 6.10 0.22 3.53 -0.87 -1.26 -1.58 114.94 123.52 2h3k s ASN 126 Ca 0.23 -1.54 -0.02 0.00 -1.57 0.00 0.00 52.86 49.97 2h3k s ASN 126 Cb -0.09 -2.17 0.22 0.00 -0.02 0.00 0.00 41.25 39.19 2h3k s ASN 126 CO -0.09 -0.72 1.60 1.88 -2.57 0.00 0.00 177.10 177.20 2h3k h TYR 127 N 8.76 0.68 0.00 2.20 0.05 -1.88 -3.46 116.97 123.33 2h3k h TYR 127 Ca -0.28 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2h3k h TYR 127 Cb 1.10 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.69 2h3k h TYR 127 CO 0.67 0.88 0.00 -3.47 -1.05 0.00 0.00 178.16 175.19 2h3k n ASP 128 N -4.04 0.00 -3.93 3.88 -0.08 -1.25 -4.51 116.55 106.61 2h3k n ASP 128 Ca -0.02 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.97 2h3k n ASP 128 Cb 0.51 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.81 2h3k n ASP 128 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2h3k s TYR 129 N 0.00 2.10 -0.22 -0.67 5.04 -1.26 -4.65 117.35 117.69 2h3k s TYR 129 Ca 0.00 -1.43 0.02 0.00 -2.44 0.00 0.00 57.07 53.22 2h3k s TYR 129 Cb 0.00 -1.49 0.04 0.00 0.35 0.00 0.00 41.96 40.87 2h3k s TYR 129 CO 0.00 -0.70 -0.13 0.99 -1.34 0.00 0.00 175.55 174.37 2h3k s THR 130 N 1.50 1.99 -0.67 4.34 2.01 -0.84 -4.51 115.64 119.46 2h3k s THR 130 Ca -0.02 -1.28 -0.23 0.00 0.31 0.00 0.00 61.69 60.48 2h3k s THR 130 Cb -0.17 -2.01 0.07 0.00 0.01 0.00 0.00 72.50 70.40 2h3k s THR 130 CO -0.07 0.18 1.00 -0.75 -0.69 0.00 0.00 174.62 174.28 2h3k s LYS 131 N 1.23 3.12 -0.45 4.92 2.20 -1.07 0.11 119.74 129.80 2h3k s LYS 131 Ca -0.03 -0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 54.62 2h3k s LYS 131 Cb -0.17 -4.23 0.04 0.00 -1.51 0.00 0.00 37.83 31.96 2h3k s LYS 131 CO -0.08 -1.85 0.47 -1.17 -0.36 0.00 0.00 175.35 172.35 2h3k s LEU 132 N 4.21 5.06 -0.37 5.43 0.20 0.57 -2.56 118.68 131.23 2h3k s LEU 132 Ca 0.23 -0.88 -0.16 0.00 0.69 0.00 0.00 54.13 54.02 2h3k s LEU 132 Cb -0.16 -2.35 0.00 0.00 -0.43 0.00 0.00 46.19 43.25 2h3k s LEU 132 CO 0.10 -0.66 0.38 -0.69 -0.29 0.00 0.00 176.35 175.19 2h3k s VAL 133 N 2.12 5.15 0.98 1.68 1.01 -0.62 -1.48 120.40 129.24 2h3k s VAL 133 Ca 0.11 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 2h3k s VAL 133 Cb -0.19 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.35 2h3k s VAL 133 CO 0.12 -0.21 0.37 0.49 0.00 0.00 0.00 175.10 175.87 2h3k n PHE 134 N 5.43 -1.37 0.17 5.22 3.72 0.22 -0.13 117.46 130.73 2h3k n PHE 134 Ca -0.09 0.22 0.05 0.00 -0.05 0.00 0.00 57.45 57.58 2h3k n PHE 134 Cb 0.49 -1.75 0.24 0.00 -0.94 0.00 0.00 39.48 37.51 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 -1.68 0.88 -2.85 4.37 0.00 0.19 -3.43 119.26 116.74 2h3k h ALA 135 Ca -0.45 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 2h3k h ALA 135 Cb 1.29 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2h3k h ALA 135 CO 0.35 0.51 -0.13 0.15 0.00 0.00 0.00 179.25 180.13 2h3k s LYS 136 N -3.38 1.67 0.10 0.00 1.02 -1.26 -4.97 119.74 112.92 2h3k s LYS 136 Ca 0.01 -1.40 -0.31 0.00 0.02 0.00 0.00 55.97 54.30 2h3k s LYS 136 Cb 0.10 0.47 -0.07 0.00 -0.52 0.00 0.00 37.83 37.80 2h3k s LYS 136 CO 0.70 -0.69 1.26 -1.25 -0.92 0.00 0.00 175.35 174.45 2h3k s PRO 137 N -3.68 4.40 -1.19 -1.68 0.04 -1.26 -4.64 135.00 126.99 2h3k s PRO 137 Ca 0.25 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 2h3k s PRO 137 Cb -0.01 -3.30 0.17 0.00 0.04 0.00 0.00 34.50 31.40 2h3k s PRO 137 CO 0.12 -0.30 1.42 0.42 0.04 0.00 0.00 177.00 178.70 2h3k s ILE 138 N 0.91 5.00 -0.11 0.56 -1.09 -1.04 -4.94 121.20 120.49 2h3k s ILE 138 Ca 0.60 -2.57 -0.16 0.00 -2.23 0.00 0.00 60.65 56.29 2h3k s ILE 138 Cb -0.32 -4.91 -0.05 0.00 -1.58 0.00 0.00 42.46 35.60 2h3k s ILE 138 CO 0.31 -1.62 0.41 -0.31 -1.23 0.00 0.00 174.94 172.50 2h3k s TYR 139 N 1.68 3.54 1.17 3.97 2.02 -1.26 -3.68 117.35 124.78 2h3k s TYR 139 Ca 0.42 0.82 -0.17 0.00 -0.37 0.00 0.00 57.07 57.77 2h3k s TYR 139 Cb -0.03 -2.44 0.19 0.00 -0.40 0.00 0.00 41.96 39.28 2h3k s TYR 139 CO -0.00 0.27 0.38 -1.71 -1.57 0.00 0.00 175.55 172.92 2h3k n ASN 140 N 3.31 -2.43 -3.84 2.29 5.15 -1.26 -4.92 115.26 113.56 2h3k n ASN 140 Ca -0.10 -0.24 -0.32 0.00 -0.60 0.00 0.00 54.58 53.33 2h3k n ASN 140 Cb 0.52 -1.02 -0.08 0.00 -0.53 0.00 0.00 39.78 38.66 2h3k n ASN 140 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2h3k n ASP 141 N -2.96 3.94 0.25 1.20 9.92 -1.26 -4.84 116.55 122.80 2h3k n ASP 141 Ca 0.02 -3.28 0.15 0.00 -0.53 0.00 0.00 54.79 51.15 2h3k n ASP 141 Cb 0.58 -0.87 0.52 0.00 -0.64 0.00 0.00 41.12 40.70 2h3k n ASP 141 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2h3k h PRO 142 N 5.22 0.00 -0.76 -0.24 0.13 -1.95 -3.28 132.00 131.12 2h3k h PRO 142 Ca 0.17 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.97 2h3k h PRO 142 Cb 0.73 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.46 2h3k h PRO 142 CO 0.86 0.05 -1.11 0.45 -0.23 0.00 0.00 178.00 178.02 2h3k n SER 143 N -3.15 1.96 0.00 1.44 2.88 -1.26 -5.24 113.62 110.25 2h3k n SER 143 Ca 0.01 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 2h3k n SER 143 Cb 0.39 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70