#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 2.42 0.00 0.00 -4.77 -1.26 -5.04 116.67 108.02 2h3k s ASP 2 Ca 0.00 -0.40 0.00 0.00 -3.30 0.00 0.00 52.55 48.85 2h3k s ASP 2 Cb 0.00 -0.99 0.00 0.00 -1.09 0.00 0.00 42.92 40.84 2h3k s ASP 2 CO 0.00 -0.10 0.00 1.21 0.70 0.00 0.00 175.17 176.98 2h3k n GLU 3 N 4.87 3.89 -4.33 2.11 2.13 -1.26 -5.09 120.64 122.95 2h3k n GLU 3 Ca -0.14 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.38 2h3k n GLU 3 Cb 0.50 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.10 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2h3k s SER 4 N -0.99 4.07 0.45 4.31 1.04 -1.26 -4.65 113.70 116.68 2h3k s SER 4 Ca 0.00 -0.47 0.23 0.00 0.48 0.00 0.00 55.95 56.19 2h3k s SER 4 Cb 0.00 -0.67 1.04 0.00 0.10 0.00 0.00 66.02 66.48 2h3k s SER 4 CO 0.00 0.19 1.89 0.25 0.98 0.00 0.00 173.24 176.55 2h3k h LEU 5 N 3.83 0.00 0.00 2.42 6.46 -0.63 -0.33 115.31 127.06 2h3k h LEU 5 Ca -0.49 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.19 2h3k h LEU 5 Cb 1.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 2h3k h LEU 5 CO 0.48 0.23 -0.45 0.50 -0.62 0.00 0.00 178.44 178.59 2h3k h LYS 6 N 0.00 0.00 -0.02 1.25 3.64 -1.69 -2.98 116.57 116.78 2h3k h LYS 6 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h3k h LYS 6 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2h3k h LYS 6 CO 0.03 0.32 -0.27 -3.47 -2.27 0.00 0.00 179.45 173.79 2h3k n ASP 7 N -3.14 1.97 -0.09 4.20 2.03 -1.00 -4.47 116.55 116.04 2h3k n ASP 7 Ca 0.02 -1.48 -0.11 0.00 0.52 0.00 0.00 54.79 53.73 2h3k n ASP 7 Cb 0.68 0.34 -0.12 0.00 -0.72 0.00 0.00 41.12 41.29 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2h3k n ALA 8 N 0.23 1.56 0.01 -1.67 0.00 -0.17 -4.36 120.51 116.11 2h3k n ALA 8 Ca 0.08 -1.07 0.22 0.00 0.00 0.00 0.00 53.44 52.68 2h3k n ALA 8 Cb 0.40 -0.08 0.72 0.00 0.00 0.00 0.00 19.45 20.50 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 0.44 0.00 0.00 3.07 -1.74 -3.20 117.51 116.08 2h3k h ILE 9 Ca -0.48 0.00 -0.67 0.00 1.55 0.00 0.00 64.86 65.26 2h3k h ILE 9 Cb 1.96 0.61 -0.00 0.00 -0.27 0.00 0.00 36.82 39.12 2h3k h ILE 9 CO -0.01 0.00 2.85 0.29 -1.05 0.00 0.00 178.15 180.23 2h3k n LYS 10 N -3.89 2.36 -4.02 0.16 4.76 -1.26 -4.55 118.16 111.73 2h3k n LYS 10 Ca 0.11 -2.25 -0.11 0.00 -2.87 0.00 0.00 58.31 53.19 2h3k n LYS 10 Cb 0.73 -3.09 -0.11 0.00 -1.84 0.00 0.00 35.03 30.71 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 3.82 0.51 0.29 4.39 1.11 -1.21 -5.03 116.67 120.55 2h3k s ASP 11 Ca 0.52 -0.51 0.14 0.00 0.18 0.00 0.00 52.55 52.87 2h3k s ASP 11 Cb 0.14 0.07 0.36 0.00 1.07 0.00 0.00 42.92 44.56 2h3k s ASP 11 CO -0.01 -0.25 1.59 1.55 1.18 0.00 0.00 175.17 179.23 2h3k h PRO 12 N 4.61 0.00 -0.01 8.23 0.13 -1.93 -1.30 132.00 141.73 2h3k h PRO 12 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2h3k h PRO 12 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2h3k h PRO 12 CO 0.41 0.56 -0.15 0.00 -0.23 0.00 0.00 178.00 178.59 2h3k n ALA 13 N -2.33 2.87 -0.01 -0.56 0.00 -1.26 -3.99 120.51 115.23 2h3k n ALA 13 Ca -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.10 2h3k n ALA 13 Cb 0.64 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2h3k n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h3k n LEU 14 N -0.66 0.00 -4.56 0.00 4.77 -1.15 -4.80 117.00 110.61 2h3k n LEU 14 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 2h3k n LEU 14 Cb 0.31 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2h3k n LEU 14 CO 0.23 0.02 1.47 -0.70 -1.33 0.00 0.00 177.39 177.09 2h3k s GLU 15 N -2.22 2.87 -0.31 3.23 -6.30 -0.50 0.11 118.70 115.58 2h3k s GLU 15 Ca -0.01 0.48 -0.05 0.00 -2.50 0.00 0.00 54.97 52.88 2h3k s GLU 15 Cb 0.02 -4.30 0.01 0.00 0.00 0.00 0.00 34.13 29.86 2h3k s GLU 15 CO 0.16 -2.46 0.19 -1.71 0.02 0.00 0.00 175.26 171.45 2h3k n ASN 16 N 11.54 -7.21 -3.93 -1.70 2.85 -1.19 -4.93 115.26 110.70 2h3k n ASN 16 Ca 0.16 0.96 -0.15 0.00 -0.11 0.00 0.00 54.58 55.44 2h3k n ASN 16 Cb 0.51 -4.78 -0.15 0.00 1.24 0.00 0.00 39.78 36.60 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2h3k s LYS 17 N -1.77 0.35 -0.82 1.20 2.20 -1.26 -5.03 119.74 114.61 2h3k s LYS 17 Ca 0.08 -0.13 -0.20 0.00 -0.36 0.00 0.00 55.97 55.36 2h3k s LYS 17 Cb -0.02 -0.36 -0.14 0.00 -1.51 0.00 0.00 37.83 35.80 2h3k s LYS 17 CO 0.68 0.06 1.95 -1.91 -0.36 0.00 0.00 175.35 175.77 2h3k n GLU 18 N 3.12 1.61 0.32 4.03 2.13 -1.26 -4.62 120.64 125.97 2h3k n GLU 18 Ca -0.14 -1.86 0.21 0.00 0.66 0.00 0.00 57.16 56.03 2h3k n GLU 18 Cb 0.57 -2.90 1.05 0.00 0.27 0.00 0.00 31.44 30.43 2h3k n GLU 18 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 2h3k h HIS 19 N 7.69 0.00 -0.90 4.31 2.07 -1.97 -3.36 115.15 122.99 2h3k h HIS 19 Ca 0.44 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 57.42 2h3k h HIS 19 Cb 0.63 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.53 2h3k h HIS 19 CO 1.30 0.01 1.52 0.34 -3.07 0.00 0.00 177.93 178.03 2h3k s ASP 20 N -5.37 6.19 -0.37 3.10 2.15 -1.26 -4.88 116.67 116.24 2h3k s ASP 20 Ca -0.03 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.33 2h3k s ASP 20 Cb 0.12 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.28 2h3k s ASP 20 CO 0.46 -1.81 0.15 -0.63 -0.17 0.00 0.00 175.17 173.17 2h3k s ILE 21 N 6.35 1.28 -1.23 4.11 1.01 -1.26 -5.06 121.20 126.40 2h3k s ILE 21 Ca 0.55 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 59.21 2h3k s ILE 21 Cb -0.00 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2h3k s ILE 21 CO -0.01 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.79 2h3k n GLY 22 N 4.24 0.62 3.69 6.18 0.00 -1.26 -5.07 105.19 113.60 2h3k n GLY 22 Ca 0.03 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.49 -0.92 -0.02 1.61 0.04 -1.26 -5.09 135.00 128.87 2h3k s PRO 23 Ca 0.00 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.45 2h3k s PRO 23 Cb 0.00 -1.65 0.11 0.00 0.04 0.00 0.00 34.50 33.00 2h3k s PRO 23 CO 0.00 -3.47 1.30 -0.98 0.04 0.00 0.00 177.00 173.89 2h3k s ARG 24 N -5.65 0.35 0.11 4.56 1.70 -1.26 -4.58 118.95 114.18 2h3k s ARG 24 Ca 0.73 -0.21 -0.04 0.00 -0.47 0.00 0.00 55.73 55.74 2h3k s ARG 24 Cb -0.06 0.11 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 2h3k s ARG 24 CO 0.55 -0.16 0.21 0.39 -1.08 0.00 0.00 175.30 175.21 2h3k n GLU 25 N -0.72 0.30 -4.48 3.89 1.02 -0.49 -4.89 120.64 115.26 2h3k n GLU 25 Ca -0.02 -0.64 -0.20 0.00 -0.02 0.00 0.00 57.16 56.28 2h3k n GLU 25 Cb 0.61 0.77 -0.15 0.00 -0.02 0.00 0.00 31.44 32.64 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 -2.05 0.92 -0.14 3.49 1.11 -1.26 -2.35 119.66 119.37 2h3k s GLN 26 Ca 0.05 -0.39 -0.06 0.00 0.01 0.00 0.00 55.36 54.97 2h3k s GLN 26 Cb -0.01 -0.88 0.06 0.00 -1.01 0.00 0.00 33.01 31.17 2h3k s GLN 26 CO 0.04 0.23 0.32 0.08 0.01 0.00 0.00 175.29 175.96 2h3k s VAL 27 N -0.21 -0.28 0.67 1.09 1.01 0.43 -4.83 120.40 118.28 2h3k s VAL 27 Ca 0.03 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2h3k s VAL 27 Cb -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2h3k s VAL 27 CO -0.00 0.08 1.07 0.21 0.00 0.00 0.00 175.10 176.45 2h3k s ASN 28 N 1.94 5.75 -0.02 3.32 2.47 -1.26 0.12 114.94 127.26 2h3k s ASN 28 Ca -0.04 1.24 0.03 0.00 0.42 0.00 0.00 52.86 54.51 2h3k s ASN 28 Cb -0.11 -2.14 -0.00 0.00 -1.45 0.00 0.00 41.25 37.55 2h3k s ASN 28 CO -0.10 -1.16 -0.12 0.72 -3.72 0.00 0.00 177.10 172.72 2h3k s PHE 29 N -3.29 1.14 -0.36 0.43 -0.12 -1.26 0.11 117.98 114.62 2h3k s PHE 29 Ca 0.57 -0.26 -0.15 0.00 -0.05 0.00 0.00 56.93 57.04 2h3k s PHE 29 Cb -0.11 -0.77 -0.00 0.00 -0.63 0.00 0.00 43.02 41.51 2h3k s PHE 29 CO 0.53 -0.07 0.34 -0.65 -0.05 0.00 0.00 175.22 175.32 2h3k s GLN 30 N -0.06 3.39 -0.26 1.99 1.11 -0.21 -4.93 119.66 120.70 2h3k s GLN 30 Ca 0.01 -0.60 -0.29 0.00 0.01 0.00 0.00 55.36 54.49 2h3k s GLN 30 Cb -0.07 -3.86 0.01 0.00 -1.01 0.00 0.00 33.01 28.08 2h3k s GLN 30 CO 0.00 -0.60 1.14 -0.51 0.01 0.00 0.00 175.29 175.33 2h3k s LEU 31 N 1.94 4.02 -0.29 2.90 1.43 -1.26 -1.94 118.68 125.49 2h3k s LEU 31 Ca 0.10 1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 2h3k s LEU 31 Cb -0.17 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.60 2h3k s LEU 31 CO 0.12 -0.83 0.08 -0.76 0.23 0.00 0.00 176.35 175.19 2h3k s LEU 32 N 3.60 2.15 0.00 1.79 1.43 -1.02 -3.74 118.68 122.89 2h3k s LEU 32 Ca 0.48 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2h3k s LEU 32 Cb -0.16 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2h3k s LEU 32 CO 0.14 -0.38 0.00 -0.90 0.23 0.00 0.00 176.35 175.43 2h3k n ASP 33 N 4.85 0.00 -1.94 2.29 5.75 -1.26 -2.39 116.55 123.86 2h3k n ASP 33 Ca -0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.56 2h3k n ASP 33 Cb 0.43 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.56 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2h3k n LYS 34 N 0.00 1.88 -0.48 0.11 4.81 -1.26 -3.89 118.16 119.34 2h3k n LYS 34 Ca 0.00 -1.71 0.00 0.00 -0.87 0.00 0.00 58.31 55.73 2h3k n LYS 34 Cb 0.00 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.37 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 0.26 0.00 -4.07 3.14 2.85 -1.26 -5.00 115.26 111.17 2h3k n ASN 35 Ca 0.33 -1.31 -0.32 0.00 -0.11 0.00 0.00 54.58 53.17 2h3k n ASN 35 Cb 0.58 -0.06 -0.01 0.00 1.24 0.00 0.00 39.78 41.53 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2h3k n ASN 36 N 0.00 -2.79 -4.20 1.20 4.13 -1.25 -4.92 115.26 107.42 2h3k n ASN 36 Ca 0.00 -0.96 -0.36 0.00 1.68 0.00 0.00 54.58 54.94 2h3k n ASN 36 Cb 0.56 -3.11 -0.13 0.00 -1.54 0.00 0.00 39.78 35.56 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2h3k s GLU 37 N -6.74 2.45 -0.06 3.52 2.56 -1.26 -5.01 118.70 114.16 2h3k s GLU 37 Ca 0.51 -1.31 -0.29 0.00 0.00 0.00 0.00 54.97 53.88 2h3k s GLU 37 Cb -0.27 -3.34 -0.02 0.00 2.00 0.00 0.00 34.13 32.49 2h3k s GLU 37 CO 0.89 -0.70 0.95 0.99 -0.56 0.00 0.00 175.26 176.83 2h3k s THR 38 N 1.29 4.86 0.21 -1.70 2.01 -1.26 -4.26 115.64 116.80 2h3k s THR 38 Ca -0.02 1.95 -0.23 0.00 0.31 0.00 0.00 61.69 63.70 2h3k s THR 38 Cb -0.20 -4.27 -0.08 0.00 0.01 0.00 0.00 72.50 67.95 2h3k s THR 38 CO -0.00 0.11 0.78 -1.10 -0.69 0.00 0.00 174.62 173.72 2h3k s GLN 39 N 1.42 4.45 0.00 4.92 -1.52 -1.25 -5.05 119.66 122.64 2h3k s GLN 39 Ca 0.48 1.07 0.00 0.00 -1.95 0.00 0.00 55.36 54.96 2h3k s GLN 39 Cb -0.19 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 29.55 2h3k s GLN 39 CO 0.22 0.46 0.00 0.66 -0.25 0.00 0.00 175.29 176.38 2h3k n TYR 40 N 1.10 -1.65 -1.98 0.91 4.01 -1.26 -4.73 117.16 113.56 2h3k n TYR 40 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.38 2h3k n TYR 40 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 2h3k n TYR 40 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2h3k n TYR 41 N -1.64 2.84 -2.28 -0.72 9.36 -1.26 -4.93 117.16 118.52 2h3k n TYR 41 Ca 0.00 -1.70 -0.28 0.00 3.32 0.00 0.00 57.90 59.24 2h3k n TYR 41 Cb 0.00 -2.49 0.02 0.00 -0.63 0.00 0.00 39.34 36.24 2h3k n TYR 41 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2h3k s HIS 42 N 9.23 3.47 -0.57 2.98 -3.43 -1.26 -5.04 115.29 120.67 2h3k s HIS 42 Ca 0.65 0.92 0.06 0.00 -0.80 0.00 0.00 55.06 55.89 2h3k s HIS 42 Cb 0.02 -2.63 0.24 0.00 -1.43 0.00 0.00 32.58 28.79 2h3k s HIS 42 CO 0.12 -0.65 0.64 1.19 -2.00 0.00 0.00 174.74 174.05 2h3k n PHE 43 N -2.57 2.27 -0.03 0.38 3.01 -1.26 -4.88 117.46 114.38 2h3k n PHE 43 Ca 0.04 -3.97 -0.08 0.00 1.01 0.00 0.00 57.45 54.45 2h3k n PHE 43 Cb 0.56 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 2h3k n PHE 43 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2h3k n PHE 44 N 1.21 0.00 0.00 1.38 7.35 -1.26 -5.04 117.46 121.11 2h3k n PHE 44 Ca 0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 2h3k n PHE 44 Cb 0.44 -0.29 0.00 0.00 0.35 0.00 0.00 39.48 39.98 2h3k n PHE 44 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2h3k n SER 45 N -3.58 0.00 -4.73 -2.13 7.64 -1.26 -4.15 113.62 105.42 2h3k n SER 45 Ca -0.15 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.42 2h3k n SER 45 Cb 0.48 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 2.72 0.12 0.44 1.09 -1.26 0.07 121.20 124.38 2h3k s ILE 46 Ca 0.00 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 2h3k s ILE 46 Cb 0.00 -2.56 0.00 0.00 -1.06 0.00 0.00 42.46 38.84 2h3k s ILE 46 CO 0.00 -0.29 0.00 1.17 -0.10 0.00 0.00 174.94 175.72 2h3k n LYS 47 N -3.66 0.00 -2.51 2.79 3.00 -1.07 -4.81 118.16 111.89 2h3k n LYS 47 Ca 0.11 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.19 2h3k n LYS 47 Cb 0.52 -0.07 0.04 0.00 0.00 0.00 0.00 35.03 35.53 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2h3k s ASP 48 N -5.06 5.20 0.65 3.14 1.11 -1.26 -5.07 116.67 115.38 2h3k s ASP 48 Ca 0.00 0.21 -0.14 0.00 0.18 0.00 0.00 52.55 52.81 2h3k s ASP 48 Cb 0.00 -1.06 -0.01 0.00 1.07 0.00 0.00 42.92 42.92 2h3k s ASP 48 CO 0.00 -1.24 1.07 -2.16 1.18 0.00 0.00 175.17 174.02 2h3k s PRO 49 N -4.91 3.04 -0.01 8.23 0.04 -1.26 -4.57 135.00 135.56 2h3k s PRO 49 Ca 0.57 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 2h3k s PRO 49 Cb -0.10 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2h3k s PRO 49 CO 0.41 -1.03 1.47 0.00 0.04 0.00 0.00 177.00 177.89 2h3k s ALA 50 N -2.64 3.61 0.37 8.56 0.00 0.33 -4.67 121.76 127.32 2h3k s ALA 50 Ca 0.62 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 2h3k s ALA 50 Cb -0.16 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 2h3k s ALA 50 CO 0.44 -1.03 0.67 -0.51 0.00 0.00 0.00 175.76 175.33 2h3k s ASP 51 N 2.17 6.41 -0.20 0.00 1.01 0.00 0.16 116.67 126.22 2h3k s ASP 51 Ca 0.66 0.85 -0.03 0.00 0.71 0.00 0.00 52.55 54.74 2h3k s ASP 51 Cb -0.32 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2h3k s ASP 51 CO 0.27 -0.35 -0.05 -0.69 0.21 0.00 0.00 175.17 174.56 2h3k s VAL 52 N -2.35 3.41 -0.63 -1.27 1.01 -0.99 0.18 120.40 119.76 2h3k s VAL 52 Ca 0.46 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2h3k s VAL 52 Cb -0.10 -2.53 0.16 0.00 0.00 0.00 0.00 36.38 33.91 2h3k s VAL 52 CO 0.34 0.44 0.53 -0.31 0.00 0.00 0.00 175.10 176.10 2h3k s TYR 53 N 1.23 3.50 -0.55 5.22 1.51 0.42 -1.40 117.35 127.28 2h3k s TYR 53 Ca 0.03 -1.98 -0.28 0.00 -1.01 0.00 0.00 57.07 53.83 2h3k s TYR 53 Cb -0.14 -3.60 0.03 0.00 -0.11 0.00 0.00 41.96 38.14 2h3k s TYR 53 CO -0.01 -0.97 1.17 0.71 -1.11 0.00 0.00 175.55 175.34 2h3k s TYR 54 N 0.74 2.66 0.00 2.71 2.02 -1.26 -1.95 117.35 122.27 2h3k s TYR 54 Ca 0.11 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 2h3k s TYR 54 Cb -0.21 -4.48 0.00 0.00 -0.40 0.00 0.00 41.96 36.87 2h3k s TYR 54 CO -0.03 -1.50 0.00 0.25 -1.57 0.00 0.00 175.55 172.70 2h3k n THR 55 N 6.70 0.00 0.12 -0.71 -2.24 -1.25 -4.71 114.28 112.19 2h3k n THR 55 Ca 0.09 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 2h3k n THR 55 Cb 0.49 -0.89 0.02 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.97 -3.42 116.57 114.05 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 0.02 0.00 1.63 -2.27 0.00 0.00 179.45 178.83 2h3k n LYS 57 N -2.74 0.00 -4.08 1.90 5.02 -1.26 -5.05 118.16 111.94 2h3k n LYS 57 Ca 0.00 0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 2h3k n LYS 57 Cb 0.56 -0.47 -0.10 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.27 0.71 0.75 1.97 -0.14 -1.26 -5.09 119.74 116.42 2h3k s LYS 58 Ca 0.00 -1.24 -0.14 0.00 -1.36 0.00 0.00 55.97 53.22 2h3k s LYS 58 Cb 0.00 0.23 0.05 0.00 -1.68 0.00 0.00 37.83 36.43 2h3k s LYS 58 CO 0.00 -0.16 1.21 0.00 -0.76 0.00 0.00 175.35 175.64 2h3k s ALA 59 N -3.94 2.04 0.01 5.17 0.00 -1.26 -3.85 121.76 119.93 2h3k s ALA 59 Ca 0.11 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 2h3k s ALA 59 Cb 0.08 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2h3k s ALA 59 CO -0.07 -2.00 -0.00 -1.21 0.00 0.00 0.00 175.76 172.47 2h3k s GLU 60 N -3.98 0.21 -0.08 0.00 2.02 -0.82 -2.31 118.70 113.75 2h3k s GLU 60 Ca 0.74 -0.37 0.04 0.00 0.02 0.00 0.00 54.97 55.40 2h3k s GLU 60 Cb -0.29 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.00 2h3k s GLU 60 CO 0.47 -0.04 -0.21 0.08 0.02 0.00 0.00 175.26 175.59 2h3k s VAL 61 N -0.92 2.42 -0.07 2.63 1.01 -0.87 0.16 120.40 124.76 2h3k s VAL 61 Ca -0.10 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2h3k s VAL 61 Cb -0.06 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2h3k s VAL 61 CO -0.00 0.56 -0.24 -0.70 0.00 0.00 0.00 175.10 174.72 2h3k s GLU 62 N -0.08 2.72 0.04 2.72 2.12 0.13 -2.41 118.70 123.94 2h3k s GLU 62 Ca -0.05 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 54.46 2h3k s GLU 62 Cb -0.14 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 2h3k s GLU 62 CO 0.04 0.33 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.48 2h3k s LEU 63 N -0.04 2.95 -0.35 2.70 1.02 -0.54 -0.82 118.68 123.61 2h3k s LEU 63 Ca -0.07 -0.29 -0.12 0.00 0.02 0.00 0.00 54.13 53.67 2h3k s LEU 63 Cb -0.15 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.34 2h3k s LEU 63 CO 0.05 0.25 0.21 -1.81 0.02 0.00 0.00 176.35 175.07 2h3k s ASP 64 N -1.61 5.83 0.22 2.29 1.01 -1.26 -3.05 116.67 120.10 2h3k s ASP 64 Ca 0.17 -0.65 -0.05 0.00 0.71 0.00 0.00 52.55 52.74 2h3k s ASP 64 Cb -0.11 -2.07 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 2h3k s ASP 64 CO 0.08 -0.29 0.47 -0.63 0.21 0.00 0.00 175.17 175.02 2h3k s ILE 65 N 1.65 5.09 -0.08 0.77 1.09 -0.24 -2.61 121.20 126.86 2h3k s ILE 65 Ca 0.05 0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.62 2h3k s ILE 65 Cb -0.18 -3.69 -0.05 0.00 -1.06 0.00 0.00 42.46 37.48 2h3k s ILE 65 CO 0.08 -0.16 -0.07 -3.20 -0.10 0.00 0.00 174.94 171.49 2h3k n ASN 66 N -0.51 3.31 -2.59 3.58 5.15 0.11 -2.40 115.26 121.91 2h3k n ASN 66 Ca -0.02 -0.04 -0.30 0.00 -0.60 0.00 0.00 54.58 53.61 2h3k n ASN 66 Cb 0.53 -0.13 -0.03 0.00 -0.53 0.00 0.00 39.78 39.62 2h3k n ASN 66 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2h3k n THR 67 N -2.75 3.39 0.03 -0.44 -2.24 -1.26 -3.88 114.28 107.13 2h3k n THR 67 Ca -0.15 -3.32 0.22 0.00 -2.27 0.00 0.00 64.05 58.53 2h3k n THR 67 Cb 0.65 -1.49 0.68 0.00 -2.10 0.00 0.00 70.33 68.07 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 2.96 2.27 0.00 6.98 0.00 -1.83 0.75 119.26 130.39 2h3k h ALA 68 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2h3k h ALA 68 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2h3k h ALA 68 CO 1.03 -0.90 0.00 0.45 0.00 0.00 0.00 179.25 179.84 2h3k n SER 69 N -3.55 0.54 -0.10 0.00 2.88 -1.26 -3.15 113.62 108.98 2h3k n SER 69 Ca 0.11 0.62 -0.13 0.00 -1.33 0.00 0.00 58.87 58.13 2h3k n SER 69 Cb 0.82 -0.74 -0.14 0.00 -0.75 0.00 0.00 64.21 63.40 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 -2.08 1.45 -1.63 2.46 -2.24 0.26 -4.95 114.28 107.56 2h3k n THR 70 Ca 0.03 -0.75 -0.36 0.00 -2.27 0.00 0.00 64.05 60.70 2h3k n THR 70 Cb 0.24 -0.87 0.08 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.51 2.03 0.07 4.78 0.52 -1.14 -3.25 118.94 119.45 2h3k s TRP 71 Ca -0.19 1.52 0.00 0.00 0.02 0.00 0.00 56.10 57.45 2h3k s TRP 71 Cb 0.07 -3.64 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 2h3k s TRP 71 CO 0.74 -2.88 0.00 1.17 0.02 0.00 0.00 176.95 176.00 2h3k n LYS 72 N -2.18 0.00 -4.40 4.98 4.81 -1.11 -3.64 118.16 116.62 2h3k n LYS 72 Ca 0.15 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.31 2h3k n LYS 72 Cb 0.49 -0.12 -0.06 0.00 0.02 0.00 0.00 35.03 35.36 2h3k n LYS 72 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2h3k n LYS 73 N -2.87 0.77 -3.33 1.64 5.02 -1.26 0.07 118.16 118.21 2h3k n LYS 73 Ca 0.00 -3.36 0.03 0.00 -2.02 0.00 0.00 58.31 52.96 2h3k n LYS 73 Cb 0.08 1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 36.25 2h3k n LYS 73 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2h3k s PHE 74 N -2.80 -0.27 -0.32 2.13 2.19 -1.20 -4.17 117.98 113.53 2h3k s PHE 74 Ca 0.07 0.48 0.03 0.00 0.33 0.00 0.00 56.93 57.83 2h3k s PHE 74 Cb 0.00 0.16 0.16 0.00 -1.31 0.00 0.00 43.02 42.03 2h3k s PHE 74 CO 0.05 -0.13 0.41 -1.21 1.83 0.00 0.00 175.22 176.16 2h3k s GLU 75 N 1.98 0.51 0.44 10.12 2.02 0.19 -4.52 118.70 129.44 2h3k s GLU 75 Ca -0.02 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.53 2h3k s GLU 75 Cb -0.03 -0.42 -0.10 0.00 0.10 0.00 0.00 34.13 33.69 2h3k s GLU 75 CO -0.16 -1.10 0.99 0.08 0.02 0.00 0.00 175.26 175.10 2h3k s VAL 76 N 2.14 4.07 -0.06 2.63 1.01 -1.23 -2.60 120.40 126.36 2h3k s VAL 76 Ca 0.12 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 2h3k s VAL 76 Cb -0.12 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.70 2h3k s VAL 76 CO -0.21 -0.21 0.11 -0.47 0.00 0.00 0.00 175.10 174.32 2h3k s TYR 77 N -1.99 -0.08 0.04 5.22 5.04 -0.80 0.15 117.35 124.94 2h3k s TYR 77 Ca 0.62 0.40 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 2h3k s TYR 77 Cb -0.14 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 41.89 2h3k s TYR 77 CO 0.18 -0.19 -0.10 -1.83 -1.34 0.00 0.00 175.55 172.27 2h3k s GLU 78 N 1.72 0.68 0.00 4.97 -1.05 -1.19 -1.61 118.70 122.23 2h3k s GLU 78 Ca -0.02 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 2h3k s GLU 78 Cb -0.12 -0.60 0.00 0.00 -0.44 0.00 0.00 34.13 32.97 2h3k s GLU 78 CO -0.05 0.14 0.00 -1.71 0.95 0.00 0.00 175.26 174.59 2h3k n ASN 79 N 1.87 0.00 -2.67 0.83 5.15 -1.26 -2.99 115.26 116.19 2h3k n ASN 79 Ca -0.19 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.75 2h3k n ASN 79 Cb 0.55 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.85 2h3k n ASN 79 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2h3k n ASN 80 N 1.51 -1.32 -3.41 1.20 6.94 -1.26 -5.14 115.26 113.79 2h3k n ASN 80 Ca 0.00 -1.92 0.02 0.00 -0.02 0.00 0.00 54.58 52.66 2h3k n ASN 80 Cb 0.00 1.10 -0.05 0.00 -2.36 0.00 0.00 39.78 38.47 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2h3k s GLN 81 N 0.07 0.18 -0.37 -3.83 2.00 -1.16 -5.12 119.66 111.43 2h3k s GLN 81 Ca 0.11 0.41 -0.29 0.00 -2.00 0.00 0.00 55.36 53.59 2h3k s GLN 81 Cb 0.18 0.19 0.01 0.00 0.80 0.00 0.00 33.01 34.19 2h3k s GLN 81 CO -0.08 -0.05 1.22 0.21 -0.50 0.00 0.00 175.29 176.09 2h3k s LYS 82 N 1.91 3.85 0.03 1.67 2.47 -1.26 -3.16 119.74 125.24 2h3k s LYS 82 Ca -0.04 0.98 -0.30 0.00 -1.56 0.00 0.00 55.97 55.06 2h3k s LYS 82 Cb -0.03 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.42 2h3k s LYS 82 CO -0.15 -1.20 0.98 -0.51 0.16 0.00 0.00 175.35 174.62 2h3k s LEU 83 N 4.38 4.40 -0.49 5.43 1.43 0.12 -4.93 118.68 129.04 2h3k s LEU 83 Ca 0.52 1.70 -0.28 0.00 -1.03 0.00 0.00 54.13 55.05 2h3k s LEU 83 Cb -0.13 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2h3k s LEU 83 CO 0.25 -0.21 1.54 -2.16 0.23 0.00 0.00 176.35 176.00 2h3k s PRO 84 N 0.74 3.28 0.52 1.29 0.04 -1.26 -3.52 135.00 136.09 2h3k s PRO 84 Ca 0.51 0.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 2h3k s PRO 84 Cb -0.22 -4.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.12 2h3k s PRO 84 CO 0.29 -1.94 1.25 0.54 0.04 0.00 0.00 177.00 177.18 2h3k s VAL 85 N 6.47 2.58 0.08 -0.36 0.11 -1.26 -4.92 120.40 123.09 2h3k s VAL 85 Ca 0.61 0.42 0.08 0.00 -2.93 0.00 0.00 61.98 60.15 2h3k s VAL 85 Cb -0.14 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 2h3k s VAL 85 CO 0.28 -0.02 -0.20 0.00 -3.33 0.00 0.00 175.10 171.83 2h3k s ARG 86 N -2.92 1.17 -0.13 1.54 1.70 -0.85 -4.94 118.95 114.52 2h3k s ARG 86 Ca 0.70 -1.06 -0.12 0.00 -0.47 0.00 0.00 55.73 54.78 2h3k s ARG 86 Cb -0.34 -1.36 -0.05 0.00 -0.57 0.00 0.00 34.95 32.64 2h3k s ARG 86 CO 0.40 0.33 0.26 -1.17 -1.08 0.00 0.00 175.30 174.03 2h3k s LEU 87 N -1.64 4.31 -0.17 -1.89 2.96 -1.26 -1.23 118.68 119.77 2h3k s LEU 87 Ca 0.06 0.55 0.11 0.00 -0.22 0.00 0.00 54.13 54.63 2h3k s LEU 87 Cb -0.10 -2.31 -0.23 0.00 0.50 0.00 0.00 46.19 44.05 2h3k s LEU 87 CO 0.03 0.22 0.18 1.33 -1.32 0.00 0.00 176.35 176.79 2h3k n VAL 88 N 2.90 1.50 -3.50 1.68 0.24 0.12 -4.97 118.33 116.29 2h3k n VAL 88 Ca -0.14 -0.77 -0.09 0.00 -2.04 0.00 0.00 64.34 61.30 2h3k n VAL 88 Cb 0.53 -0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 31.97 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 -5.98 -0.38 -0.16 -1.34 0.15 -1.24 -4.74 113.70 100.02 2h3k s SER 89 Ca -0.15 0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 2h3k s SER 89 Cb 0.07 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.84 2h3k s SER 89 CO 0.78 -0.62 0.36 -0.47 1.20 0.00 0.00 173.24 174.48 2h3k s TYR 90 N -3.01 -0.57 0.52 3.44 5.04 0.31 -0.36 117.35 122.73 2h3k s TYR 90 Ca 0.04 1.20 -0.19 0.00 -2.44 0.00 0.00 57.07 55.68 2h3k s TYR 90 Cb -0.01 0.19 -0.07 0.00 0.35 0.00 0.00 41.96 42.42 2h3k s TYR 90 CO -0.08 -0.36 1.06 0.45 -1.34 0.00 0.00 175.55 175.28 2h3k s SER 91 N 1.82 6.11 0.91 4.32 0.15 0.15 -3.16 113.70 124.01 2h3k s SER 91 Ca -0.06 1.96 -0.11 0.00 0.70 0.00 0.00 55.95 58.43 2h3k s SER 91 Cb -0.10 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.79 2h3k s SER 91 CO -0.11 -0.94 1.09 -2.16 1.20 0.00 0.00 173.24 172.31 2h3k s PRO 92 N -3.40 1.12 0.14 5.44 0.04 -1.26 -3.75 135.00 133.32 2h3k s PRO 92 Ca 0.68 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 2h3k s PRO 92 Cb -0.18 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.70 2h3k s PRO 92 CO 0.25 -2.35 0.94 0.28 0.04 0.00 0.00 177.00 176.16 2h3k n VAL 93 N -3.97 -0.33 -0.08 -0.36 0.31 -1.26 0.14 118.33 112.78 2h3k n VAL 93 Ca 0.07 1.43 0.07 0.00 -0.01 0.00 0.00 64.34 65.90 2h3k n VAL 93 Cb 0.55 -1.88 0.42 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.56 0.13 5.55 0.13 -2.04 -2.47 132.00 133.86 2h3k h PRO 94 Ca 0.20 -0.03 -0.34 0.00 -0.87 0.00 0.00 66.00 64.95 2h3k h PRO 94 Cb 0.35 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 2h3k h PRO 94 CO -0.60 0.37 -1.82 0.93 -0.23 0.00 0.00 178.00 176.65 2h3k h GLU 95 N 0.57 0.27 -5.84 0.86 3.07 0.86 -3.49 114.58 110.89 2h3k h GLU 95 Ca 0.24 -0.46 -0.09 0.00 -0.50 0.00 0.00 59.36 58.55 2h3k h GLU 95 Cb 0.21 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2h3k h GLU 95 CO -0.07 1.15 -0.94 -3.47 -1.40 0.00 0.00 179.01 174.28 2h3k n ASP 96 N -3.46 -7.05 -3.57 1.42 2.03 0.28 -4.93 116.55 101.27 2h3k n ASP 96 Ca -0.26 0.60 -0.00 0.00 0.52 0.00 0.00 54.79 55.66 2h3k n ASP 96 Cb 1.06 -3.46 -0.04 0.00 -0.72 0.00 0.00 41.12 37.95 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 -1.62 -1.14 -0.10 -0.67 3.76 -1.25 -4.40 115.29 109.88 2h3k s HIS 97 Ca 0.14 1.97 -0.00 0.00 -0.15 0.00 0.00 55.06 57.01 2h3k s HIS 97 Cb -0.02 0.68 -0.02 0.00 1.11 0.00 0.00 32.58 34.32 2h3k s HIS 97 CO 0.58 -0.56 -0.08 0.00 -0.85 0.00 0.00 174.74 173.82 2h3k s ALA 98 N 2.76 2.86 -0.22 -1.40 0.00 -1.01 0.34 121.76 125.09 2h3k s ALA 98 Ca -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2h3k s ALA 98 Cb -0.10 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 2h3k s ALA 98 CO -0.19 0.40 -0.03 0.71 0.00 0.00 0.00 175.76 176.65 2h3k s TYR 99 N -0.21 2.97 0.34 0.00 2.02 0.52 -1.08 117.35 121.90 2h3k s TYR 99 Ca 0.02 -0.84 0.03 0.00 -0.37 0.00 0.00 57.07 55.92 2h3k s TYR 99 Cb -0.13 -2.10 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 2h3k s TYR 99 CO 0.03 -0.49 0.08 0.96 -1.57 0.00 0.00 175.55 174.55 2h3k s ILE 100 N 1.40 1.01 0.02 2.71 -5.25 -1.17 -0.71 121.20 119.20 2h3k s ILE 100 Ca 0.05 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.42 2h3k s ILE 100 Cb -0.14 -2.68 0.10 0.00 2.95 0.00 0.00 42.46 42.69 2h3k s ILE 100 CO -0.02 0.00 1.08 0.00 -1.79 0.00 0.00 174.94 174.22 2h3k s ARG 101 N -3.87 0.74 0.18 0.37 1.70 -0.36 -1.46 118.95 116.24 2h3k s ARG 101 Ca 0.34 -0.37 -0.13 0.00 -0.47 0.00 0.00 55.73 55.10 2h3k s ARG 101 Cb 0.07 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2h3k s ARG 101 CO 0.15 -0.33 0.40 -0.59 -1.08 0.00 0.00 175.30 173.85 2h3k s PHE 102 N -2.85 0.14 0.61 5.89 -0.12 -1.01 -2.01 117.98 118.63 2h3k s PHE 102 Ca 0.11 -0.50 -0.16 0.00 -0.05 0.00 0.00 56.93 56.34 2h3k s PHE 102 Cb 0.01 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 2h3k s PHE 102 CO -0.03 -0.82 1.07 -1.25 -0.05 0.00 0.00 175.22 174.14 2h3k s PRO 103 N -3.92 3.17 -0.30 1.99 0.04 -1.26 -2.05 135.00 132.67 2h3k s PRO 103 Ca 0.13 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 2h3k s PRO 103 Cb 0.01 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.65 2h3k s PRO 103 CO -0.01 -0.93 0.16 0.14 0.04 0.00 0.00 177.00 176.40 2h3k s VAL 104 N -2.41 -0.08 0.23 -0.36 -7.23 -0.98 -4.89 120.40 104.68 2h3k s VAL 104 Ca 0.65 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 2h3k s VAL 104 Cb -0.17 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 2h3k s VAL 104 CO 0.38 -0.74 0.48 -0.55 -0.31 0.00 0.00 175.10 174.36 2h3k s SER 105 N 1.97 6.47 -1.28 4.85 0.15 -1.26 -4.25 113.70 120.35 2h3k s SER 105 Ca 0.10 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2h3k s SER 105 Cb -0.17 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2h3k s SER 105 CO -0.30 -0.09 0.00 -0.67 1.20 0.00 0.00 173.24 173.37 2h3k n ASP 106 N -0.54 -4.43 -1.95 5.45 2.03 -1.26 -2.33 116.55 113.53 2h3k n ASP 106 Ca -0.02 0.07 -0.18 0.00 0.52 0.00 0.00 54.79 55.18 2h3k n ASP 106 Cb 0.53 -3.50 -0.02 0.00 -0.72 0.00 0.00 41.12 37.42 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 -0.14 3.13 0.27 0.00 -1.23 -4.82 105.19 101.33 2h3k n GLY 107 Ca -0.16 -0.15 -0.56 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 2.61 -1.04 -0.98 -2.69 114.28 108.32 2h3k n THR 108 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2h3k n THR 108 Cb 0.65 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 2.81 5.79 -4.11 -2.82 7.27 -1.26 -3.10 117.38 121.95 2h3k n GLN 109 Ca 0.24 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.05 2h3k n GLN 109 Cb -0.02 -0.43 -0.17 0.00 2.41 0.00 0.00 30.24 32.04 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 -0.85 1.61 0.10 3.69 2.02 -1.26 0.80 118.70 124.81 2h3k s GLU 110 Ca 0.00 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.68 2h3k s GLU 110 Cb 0.00 -1.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.63 2h3k s GLU 110 CO 0.00 -0.18 -0.03 -0.48 0.02 0.00 0.00 175.26 174.60 2h3k s LEU 111 N 1.38 2.33 -0.47 1.80 2.34 -1.07 -4.78 118.68 120.22 2h3k s LEU 111 Ca -0.01 -1.06 -0.09 0.00 0.06 0.00 0.00 54.13 53.03 2h3k s LEU 111 Cb -0.14 0.06 0.12 0.00 -0.56 0.00 0.00 46.19 45.67 2h3k s LEU 111 CO -0.05 -0.56 0.35 -0.54 -1.06 0.00 0.00 176.35 174.49 2h3k s LYS 112 N -3.90 2.50 0.09 1.48 3.01 -0.63 -1.35 119.74 120.94 2h3k s LYS 112 Ca 0.14 -1.74 -0.31 0.00 -1.01 0.00 0.00 55.97 53.05 2h3k s LYS 112 Cb 0.06 -3.93 -0.07 0.00 -1.01 0.00 0.00 37.83 32.89 2h3k s LYS 112 CO -0.04 -1.18 1.31 0.42 0.51 0.00 0.00 175.35 176.37 2h3k s ILE 113 N 1.37 3.61 -0.20 2.17 1.09 0.71 -1.90 121.20 128.05 2h3k s ILE 113 Ca 0.05 1.15 0.01 0.00 -1.10 0.00 0.00 60.65 60.76 2h3k s ILE 113 Cb -0.26 -3.74 0.04 0.00 -1.06 0.00 0.00 42.46 37.45 2h3k s ILE 113 CO -0.00 0.09 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.13 2h3k s VAL 114 N 1.12 1.64 0.37 2.92 1.01 -1.07 -2.38 120.40 124.01 2h3k s VAL 114 Ca 0.62 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 2h3k s VAL 114 Cb -0.34 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.36 2h3k s VAL 114 CO 0.30 0.16 0.72 -0.55 0.00 0.00 0.00 175.10 175.73 2h3k s SER 115 N 1.39 0.17 -0.14 3.32 0.15 -1.24 0.56 113.70 117.91 2h3k s SER 115 Ca -0.02 -1.19 -0.05 0.00 0.70 0.00 0.00 55.95 55.40 2h3k s SER 115 Cb -0.16 0.81 0.07 0.00 -1.71 0.00 0.00 66.02 65.02 2h3k s SER 115 CO -0.08 -1.60 0.29 -0.94 1.20 0.00 0.00 173.24 172.12 2h3k s SER 116 N -3.10 0.23 0.19 5.45 1.04 -1.26 -0.96 113.70 115.29 2h3k s SER 116 Ca 0.18 0.67 0.09 0.00 0.48 0.00 0.00 55.95 57.36 2h3k s SER 116 Cb -0.04 0.81 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 2h3k s SER 116 CO 0.13 -0.24 -0.17 0.42 0.98 0.00 0.00 173.24 174.36 2h3k s THR 117 N 2.43 1.85 -0.08 2.02 -4.23 -0.47 -2.74 115.64 114.42 2h3k s THR 117 Ca 0.00 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.42 2h3k s THR 117 Cb -0.12 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.80 2h3k s THR 117 CO -0.09 -0.42 0.05 -1.58 -0.54 0.00 0.00 174.62 172.04 2h3k s GLN 118 N -3.16 0.14 -0.31 3.99 0.74 -1.20 -1.31 119.66 118.55 2h3k s GLN 118 Ca 0.19 0.18 0.10 0.00 0.05 0.00 0.00 55.36 55.89 2h3k s GLN 118 Cb -0.04 -0.96 0.69 0.00 1.10 0.00 0.00 33.01 33.79 2h3k s GLN 118 CO 0.07 -0.41 1.73 -0.89 -0.55 0.00 0.00 175.29 175.24 2h3k n ILE 119 N 5.25 2.83 -1.93 -2.34 -0.00 -1.26 -4.83 119.36 117.08 2h3k n ILE 119 Ca -0.05 -1.84 -0.15 0.00 -0.00 0.00 0.00 62.75 60.71 2h3k n ILE 119 Cb 0.50 -0.35 -0.04 0.00 -0.00 0.00 0.00 39.64 39.75 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 -0.40 -4.29 0.12 4.38 -0.08 -1.26 -4.81 116.55 110.22 2h3k n ASP 120 Ca 0.39 0.25 -0.01 0.00 -1.51 0.00 0.00 54.79 53.91 2h3k n ASP 120 Cb 1.30 -3.76 0.08 0.00 2.34 0.00 0.00 41.12 41.08 2h3k n ASP 120 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 2h3k h ASP 121 N 0.00 0.00 0.00 1.67 3.04 -2.00 -3.47 116.42 115.65 2h3k h ASP 121 Ca -0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2h3k h ASP 121 Cb 1.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2h3k h ASP 121 CO 0.44 0.65 0.00 0.61 -2.04 0.00 0.00 179.24 178.90 2h3k n GLY 122 N 0.84 1.33 3.35 7.15 0.00 -1.26 -5.12 105.19 111.47 2h3k n GLY 122 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2h3k n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3k s GLU 123 N 0.00 1.88 0.04 1.61 0.41 -1.26 -5.09 118.70 116.29 2h3k s GLU 123 Ca 0.00 -1.07 -0.30 0.00 -0.41 0.00 0.00 54.97 53.19 2h3k s GLU 123 Cb 0.00 -2.00 -0.07 0.00 -1.78 0.00 0.00 34.13 30.27 2h3k s GLU 123 CO 0.00 0.52 1.55 -2.00 -0.49 0.00 0.00 175.26 174.85 2h3k s GLU 124 N -1.13 4.23 -0.38 1.61 2.12 -1.26 -4.82 118.70 119.07 2h3k s GLU 124 Ca 0.12 2.18 -0.29 0.00 0.36 0.00 0.00 54.97 57.34 2h3k s GLU 124 Cb -0.10 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2h3k s GLU 124 CO 0.02 -0.67 1.24 0.99 -0.54 0.00 0.00 175.26 176.29 2h3k s THR 125 N 2.55 4.17 -0.32 -1.70 2.01 -0.43 -4.98 115.64 116.94 2h3k s THR 125 Ca 0.70 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.95 2h3k s THR 125 Cb -0.36 -4.34 0.06 0.00 0.01 0.00 0.00 72.50 67.87 2h3k s THR 125 CO 0.30 -0.69 0.03 0.20 -0.69 0.00 0.00 174.62 173.77 2h3k s ASN 126 N 2.75 4.93 -1.48 3.53 -0.87 -1.26 -1.37 114.94 121.16 2h3k s ASN 126 Ca 0.53 -1.47 -0.13 0.00 -1.57 0.00 0.00 52.86 50.22 2h3k s ASN 126 Cb -0.12 -1.72 0.02 0.00 -0.02 0.00 0.00 41.25 39.41 2h3k s ASN 126 CO 0.26 -0.31 2.33 -1.22 -2.57 0.00 0.00 177.10 175.59 2h3k n TYR 127 N 4.58 3.37 -0.30 2.20 4.01 -0.14 -4.73 117.16 126.16 2h3k n TYR 127 Ca -0.10 -3.00 0.23 0.00 -0.16 0.00 0.00 57.90 54.88 2h3k n TYR 127 Cb 0.43 -2.54 0.54 0.00 -0.31 0.00 0.00 39.34 37.46 2h3k n TYR 127 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2h3k h ASP 128 N 5.85 0.38 -1.64 7.72 1.82 -1.89 -3.28 116.42 125.38 2h3k h ASP 128 Ca 0.61 0.06 0.04 0.00 -0.39 0.00 0.00 57.03 57.36 2h3k h ASP 128 Cb 0.59 0.00 -0.22 0.00 0.68 0.00 0.00 39.33 40.37 2h3k h ASP 128 CO 1.87 0.09 -0.25 -0.47 -1.61 0.00 0.00 179.24 178.88 2h3k s TYR 129 N -5.40 -1.34 -0.27 0.28 5.04 -1.26 -4.89 117.35 109.50 2h3k s TYR 129 Ca -0.08 1.84 0.02 0.00 -2.44 0.00 0.00 57.07 56.41 2h3k s TYR 129 Cb 0.24 0.58 0.07 0.00 0.35 0.00 0.00 41.96 43.20 2h3k s TYR 129 CO 0.79 -0.74 -0.03 0.99 -1.34 0.00 0.00 175.55 175.22 2h3k s THR 130 N 2.82 1.82 -0.75 4.34 2.01 -1.00 -4.54 115.64 120.33 2h3k s THR 130 Ca 0.07 -1.61 -0.25 0.00 0.31 0.00 0.00 61.69 60.21 2h3k s THR 130 Cb -0.14 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.30 2h3k s THR 130 CO -0.19 -0.24 1.20 -0.75 -0.69 0.00 0.00 174.62 173.95 2h3k s LYS 131 N 1.22 3.22 -0.38 4.92 2.20 -1.00 -0.21 119.74 129.70 2h3k s LYS 131 Ca -0.02 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 54.88 2h3k s LYS 131 Cb -0.19 -4.33 0.01 0.00 -1.51 0.00 0.00 37.83 31.80 2h3k s LYS 131 CO -0.08 -2.04 0.38 -1.17 -0.36 0.00 0.00 175.35 172.08 2h3k s LEU 132 N 5.06 4.69 -0.42 5.43 0.20 -0.46 -2.43 118.68 130.76 2h3k s LEU 132 Ca 0.32 -0.50 -0.18 0.00 0.69 0.00 0.00 54.13 54.46 2h3k s LEU 132 Cb -0.10 -2.33 0.02 0.00 -0.43 0.00 0.00 46.19 43.35 2h3k s LEU 132 CO 0.10 -0.45 0.47 -0.69 -0.29 0.00 0.00 176.35 175.50 2h3k s VAL 133 N 2.01 5.04 1.03 1.68 1.01 -0.82 -2.58 120.40 127.78 2h3k s VAL 133 Ca 0.11 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 2h3k s VAL 133 Cb -0.17 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2h3k s VAL 133 CO 0.12 -0.44 0.02 0.49 0.00 0.00 0.00 175.10 175.29 2h3k n PHE 134 N 5.72 -1.72 0.14 5.22 3.72 0.24 -1.04 117.46 129.72 2h3k n PHE 134 Ca -0.06 0.20 0.01 0.00 -0.05 0.00 0.00 57.45 57.54 2h3k n PHE 134 Cb 0.48 -1.64 0.12 0.00 -0.94 0.00 0.00 39.48 37.49 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 -1.70 0.75 -2.64 4.37 0.00 0.44 -3.43 119.26 117.05 2h3k h ALA 135 Ca -0.48 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 53.77 2h3k h ALA 135 Cb 1.32 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2h3k h ALA 135 CO 0.34 0.75 -0.36 0.15 0.00 0.00 0.00 179.25 180.13 2h3k s LYS 136 N -3.22 1.20 0.09 0.00 1.02 -1.26 -4.99 119.74 112.58 2h3k s LYS 136 Ca 0.01 -1.26 -0.31 0.00 0.02 0.00 0.00 55.97 54.43 2h3k s LYS 136 Cb 0.10 0.37 -0.07 0.00 -0.52 0.00 0.00 37.83 37.71 2h3k s LYS 136 CO 0.75 -0.44 1.28 -1.25 -0.92 0.00 0.00 175.35 174.77 2h3k s PRO 137 N -4.01 4.38 -1.10 -1.68 0.04 -1.26 -4.75 135.00 126.63 2h3k s PRO 137 Ca 0.21 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2h3k s PRO 137 Cb 0.04 -3.30 0.11 0.00 0.04 0.00 0.00 34.50 31.39 2h3k s PRO 137 CO 0.03 -0.33 1.41 0.42 0.04 0.00 0.00 177.00 178.57 2h3k s ILE 138 N 1.02 4.53 -0.12 0.56 -1.09 -1.09 -4.92 121.20 120.08 2h3k s ILE 138 Ca 0.61 -1.80 -0.12 0.00 -2.23 0.00 0.00 60.65 57.11 2h3k s ILE 138 Cb -0.33 -4.96 -0.05 0.00 -1.58 0.00 0.00 42.46 35.54 2h3k s ILE 138 CO 0.30 -1.73 0.28 -0.31 -1.23 0.00 0.00 174.94 172.25 2h3k s TYR 139 N 3.13 3.54 0.77 3.97 2.02 -1.26 -3.51 117.35 126.02 2h3k s TYR 139 Ca 0.43 0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 57.67 2h3k s TYR 139 Cb -0.01 -2.24 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 2h3k s TYR 139 CO -0.03 0.43 1.08 1.21 -1.57 0.00 0.00 175.55 176.67 2h3k s ASN 140 N -0.16 4.61 -0.66 2.29 2.47 -1.26 -4.93 114.94 117.29 2h3k s ASN 140 Ca 0.17 1.58 -0.08 0.00 0.42 0.00 0.00 52.86 54.95 2h3k s ASN 140 Cb -0.13 -2.34 0.17 0.00 -1.45 0.00 0.00 41.25 37.50 2h3k s ASN 140 CO 0.06 -1.93 0.53 -1.81 -3.72 0.00 0.00 177.10 170.22 2h3k s ASP 141 N -3.65 5.84 0.46 -4.21 1.01 -1.26 -4.88 116.67 109.98 2h3k s ASP 141 Ca 0.60 -2.61 0.31 0.00 0.71 0.00 0.00 52.55 51.56 2h3k s ASP 141 Cb -0.16 -2.00 1.23 0.00 1.01 0.00 0.00 42.92 43.00 2h3k s ASP 141 CO 0.55 -0.50 1.90 1.55 0.21 0.00 0.00 175.17 178.88 2h3k h PRO 142 N 7.57 0.00 0.00 8.23 0.13 -1.95 -3.32 132.00 142.66 2h3k h PRO 142 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2h3k h PRO 142 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2h3k h PRO 142 CO 0.76 0.00 -0.82 0.45 -0.23 0.00 0.00 178.00 178.15 2h3k n SER 143 N -2.84 3.71 0.00 1.44 2.88 -1.26 -5.22 113.62 112.32 2h3k n SER 143 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2h3k n SER 143 Cb 0.29 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70