#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 4.74 0.00 0.00 1.01 -1.26 -5.13 116.67 116.03 2h3k s ASP 2 Ca 0.00 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.81 2h3k s ASP 2 Cb 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.85 2h3k s ASP 2 CO 0.00 -1.57 0.00 1.21 0.21 0.00 0.00 175.17 175.02 2h3k n GLU 3 N -2.56 3.18 -4.24 8.23 2.13 -1.26 -5.16 120.64 120.96 2h3k n GLU 3 Ca 0.14 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.70 2h3k n GLU 3 Cb 0.61 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.24 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 4.64 0.14 4.31 0.01 -1.26 -4.81 113.70 117.73 2h3k s SER 4 Ca 0.00 -0.49 -0.14 0.00 1.31 0.00 0.00 55.95 56.63 2h3k s SER 4 Cb 0.00 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.32 2h3k s SER 4 CO 0.00 0.06 1.65 -0.07 0.41 0.00 0.00 173.24 175.30 2h3k h LEU 5 N 2.49 0.69 -0.20 2.44 -0.00 -0.84 0.08 115.31 119.98 2h3k h LEU 5 Ca -0.46 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.19 2h3k h LEU 5 Cb 1.22 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 2h3k h LEU 5 CO 0.58 0.74 0.00 0.07 -0.00 0.00 0.00 178.44 179.82 2h3k h LYS 6 N 0.61 0.00 0.00 1.13 2.10 -1.71 -2.70 116.57 116.00 2h3k h LYS 6 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2h3k h LYS 6 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2h3k h LYS 6 CO -0.00 0.00 -0.88 -0.25 -2.00 0.00 0.00 179.45 176.32 2h3k n ASP 7 N -2.84 0.64 -0.09 7.07 8.00 -1.01 -4.17 116.55 124.15 2h3k n ASP 7 Ca 0.04 -0.09 -0.08 0.00 0.71 0.00 0.00 54.79 55.36 2h3k n ASP 7 Cb 0.47 0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 41.97 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 -1.82 1.60 0.29 2.24 0.00 -0.02 -4.22 120.51 118.59 2h3k n ALA 8 Ca 0.02 -1.23 0.18 0.00 0.00 0.00 0.00 53.44 52.42 2h3k n ALA 8 Cb 0.44 -0.28 0.85 0.00 0.00 0.00 0.00 19.45 20.46 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 0.08 -1.04 0.00 3.07 -1.64 -3.35 117.51 114.62 2h3k h ILE 9 Ca -0.49 -0.38 -0.70 0.00 1.55 0.00 0.00 64.86 64.84 2h3k h ILE 9 Cb 2.13 1.35 -0.10 0.00 -0.27 0.00 0.00 36.82 39.93 2h3k h ILE 9 CO 0.03 0.02 2.15 0.29 -1.05 0.00 0.00 178.15 179.59 2h3k n LYS 10 N -3.15 3.21 -3.57 0.16 4.76 -1.26 -4.77 118.16 113.54 2h3k n LYS 10 Ca -0.01 -3.32 -0.16 0.00 -2.87 0.00 0.00 58.31 51.95 2h3k n LYS 10 Cb 0.23 -3.35 -0.07 0.00 -1.84 0.00 0.00 35.03 30.01 2h3k n LYS 10 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2h3k s ASP 11 N 3.62 -0.67 0.19 4.39 2.15 -1.26 -5.04 116.67 120.05 2h3k s ASP 11 Ca 0.50 0.97 0.00 0.00 0.43 0.00 0.00 52.55 54.45 2h3k s ASP 11 Cb 0.04 0.88 0.09 0.00 -0.30 0.00 0.00 42.92 43.64 2h3k s ASP 11 CO 0.04 -0.46 1.45 1.55 -0.17 0.00 0.00 175.17 177.58 2h3k h PRO 12 N 3.82 0.35 0.34 4.34 0.13 -1.92 -1.13 132.00 137.93 2h3k h PRO 12 Ca -0.28 -0.28 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2h3k h PRO 12 Cb 1.15 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2h3k h PRO 12 CO 0.26 0.93 -0.34 0.00 -0.23 0.00 0.00 178.00 178.62 2h3k h ALA 13 N 0.99 -0.73 0.00 -0.56 0.00 -1.96 -2.61 119.26 114.40 2h3k h ALA 13 Ca -0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2h3k h ALA 13 Cb 1.28 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2h3k h ALA 13 CO 0.12 -0.95 -0.53 -0.07 0.00 0.00 0.00 179.25 177.82 2h3k h LEU 14 N -0.71 0.00 -8.31 0.00 4.07 -1.86 -3.43 115.31 105.07 2h3k h LEU 14 Ca -0.02 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.47 2h3k h LEU 14 Cb 0.64 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 2h3k h LEU 14 CO -0.06 0.53 1.68 1.21 -1.08 0.00 0.00 178.44 180.72 2h3k n GLU 15 N -3.45 0.53 -2.49 1.13 2.13 -0.43 -2.01 120.64 116.05 2h3k n GLU 15 Ca 0.00 -0.02 -0.02 0.00 0.66 0.00 0.00 57.16 57.79 2h3k n GLU 15 Cb 0.65 -2.50 -0.02 0.00 0.27 0.00 0.00 31.44 29.84 2h3k n GLU 15 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2h3k n ASN 16 N 13.30 -4.67 -0.03 4.31 2.85 -1.13 -4.92 115.26 124.98 2h3k n ASN 16 Ca 0.51 1.19 0.00 0.00 -0.11 0.00 0.00 54.58 56.17 2h3k n ASN 16 Cb 0.30 -4.65 0.00 0.00 1.24 0.00 0.00 39.78 36.67 2h3k n ASN 16 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2h3k n LYS 17 N 0.91 2.40 -3.65 1.20 4.81 -1.22 -4.99 118.16 117.61 2h3k n LYS 17 Ca -0.13 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.01 2h3k n LYS 17 Cb 0.21 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.12 2h3k n LYS 17 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2h3k s GLU 18 N 0.95 0.77 -0.13 1.64 2.56 -1.26 -4.96 118.70 118.27 2h3k s GLU 18 Ca 0.00 -1.31 0.09 0.00 0.00 0.00 0.00 54.97 53.75 2h3k s GLU 18 Cb 0.00 -1.85 0.48 0.00 2.00 0.00 0.00 34.13 34.76 2h3k s GLU 18 CO 0.00 -1.08 1.25 -2.39 -0.56 0.00 0.00 175.26 172.48 2h3k n HIS 19 N 4.39 1.18 -1.67 5.30 1.44 -1.26 -4.32 115.22 120.28 2h3k n HIS 19 Ca 0.03 -0.42 -0.35 0.00 -2.01 0.00 0.00 57.72 54.97 2h3k n HIS 19 Cb 0.39 -0.32 0.06 0.00 0.12 0.00 0.00 29.99 30.24 2h3k n HIS 19 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2h3k n ASP 20 N 0.41 7.21 -4.20 4.39 8.00 -1.26 -4.91 116.55 126.18 2h3k n ASP 20 Ca 0.16 -3.80 -0.37 0.00 0.71 0.00 0.00 54.79 51.49 2h3k n ASP 20 Cb 0.77 -0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2h3k s ILE 21 N -4.94 3.53 0.00 0.53 1.01 -1.26 -5.00 121.20 115.07 2h3k s ILE 21 Ca 0.58 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2h3k s ILE 21 Cb 0.47 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2h3k s ILE 21 CO -0.15 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.02 2h3k n GLY 22 N 4.72 1.39 3.80 6.18 0.00 -1.26 -5.04 105.19 114.99 2h3k n GLY 22 Ca -0.09 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.49 2.67 0.00 1.61 0.04 -1.26 -5.04 135.00 131.53 2h3k s PRO 23 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2h3k s PRO 23 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2h3k s PRO 23 CO 0.00 -1.29 0.00 2.89 0.04 0.00 0.00 177.00 178.64 2h3k n ARG 24 N -3.26 0.00 -2.92 4.56 1.85 -1.26 -3.44 116.66 112.19 2h3k n ARG 24 Ca 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.88 2h3k n ARG 24 Cb 0.54 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.97 2h3k n ARG 24 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2h3k n GLU 25 N 0.00 0.69 -4.81 2.89 1.02 0.26 -4.87 120.64 115.82 2h3k n GLU 25 Ca 0.00 -1.38 -0.25 0.00 -0.02 0.00 0.00 57.16 55.51 2h3k n GLU 25 Cb 0.00 1.75 -0.16 0.00 -0.02 0.00 0.00 31.44 33.01 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 1.60 0.03 3.49 1.11 -1.26 -1.42 119.66 121.15 2h3k s GLN 26 Ca 0.12 -0.59 -0.04 0.00 0.01 0.00 0.00 55.36 54.85 2h3k s GLN 26 Cb -0.03 -1.44 -0.01 0.00 -1.01 0.00 0.00 33.01 30.51 2h3k s GLN 26 CO 0.07 0.28 0.06 0.08 0.01 0.00 0.00 175.29 175.79 2h3k s VAL 27 N -0.11 0.13 0.31 1.09 1.01 0.29 -4.89 120.40 118.23 2h3k s VAL 27 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2h3k s VAL 27 Cb -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 2h3k s VAL 27 CO 0.01 -0.59 0.45 0.21 0.00 0.00 0.00 175.10 175.18 2h3k s ASN 28 N -1.94 6.18 -0.02 3.32 3.84 -1.26 0.16 114.94 125.21 2h3k s ASN 28 Ca -0.08 0.09 0.02 0.00 0.21 0.00 0.00 52.86 53.11 2h3k s ASN 28 Cb -0.03 -1.69 0.00 0.00 -0.55 0.00 0.00 41.25 38.98 2h3k s ASN 28 CO -0.03 -0.27 -0.09 0.72 -2.79 0.00 0.00 177.10 174.64 2h3k s PHE 29 N -2.15 0.88 -0.37 0.43 -0.12 -1.26 0.56 117.98 115.95 2h3k s PHE 29 Ca 0.39 -0.21 -0.17 0.00 -0.05 0.00 0.00 56.93 56.90 2h3k s PHE 29 Cb -0.09 -0.62 -0.00 0.00 -0.63 0.00 0.00 43.02 41.67 2h3k s PHE 29 CO 0.32 -0.08 0.44 -0.65 -0.05 0.00 0.00 175.22 175.20 2h3k s GLN 30 N 0.14 3.47 -0.32 1.99 1.11 0.15 -4.91 119.66 121.29 2h3k s GLN 30 Ca -0.02 -0.40 -0.23 0.00 0.01 0.00 0.00 55.36 54.73 2h3k s GLN 30 Cb -0.08 -3.85 0.00 0.00 -1.01 0.00 0.00 33.01 28.08 2h3k s GLN 30 CO 0.00 -0.66 0.76 -0.51 0.01 0.00 0.00 175.29 174.89 2h3k s LEU 31 N 2.21 4.11 -0.10 2.90 1.43 -1.26 -1.35 118.68 126.61 2h3k s LEU 31 Ca 0.15 0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2h3k s LEU 31 Cb -0.16 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.08 2h3k s LEU 31 CO 0.13 -0.61 0.01 -0.76 0.23 0.00 0.00 176.35 175.35 2h3k s LEU 32 N 2.91 0.75 0.00 1.79 1.43 -1.07 -4.24 118.68 120.25 2h3k s LEU 32 Ca 0.31 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2h3k s LEU 32 Cb -0.14 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.59 2h3k s LEU 32 CO 0.13 -0.22 0.00 0.47 0.23 0.00 0.00 176.35 176.96 2h3k n ASP 33 N 5.12 0.00 -1.39 2.29 8.00 -1.25 -2.48 116.55 126.83 2h3k n ASP 33 Ca -0.08 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.42 2h3k n ASP 33 Cb 0.49 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.79 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2h3k n LYS 34 N 0.00 2.87 -0.68 -1.24 4.81 -1.26 -3.87 118.16 118.78 2h3k n LYS 34 Ca 0.00 -1.78 0.01 0.00 -0.87 0.00 0.00 58.31 55.68 2h3k n LYS 34 Cb 0.00 -1.88 0.01 0.00 0.02 0.00 0.00 35.03 33.19 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 0.17 0.32 -2.70 3.14 3.02 -1.26 -4.98 115.26 112.96 2h3k n ASN 35 Ca 0.20 -2.07 -0.14 0.00 -0.03 0.00 0.00 54.58 52.54 2h3k n ASN 35 Cb 0.88 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.82 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 0.02 -3.53 -4.20 6.41 4.05 -1.25 -4.92 115.26 111.84 2h3k n ASN 36 Ca 0.02 0.07 -0.34 0.00 0.45 0.00 0.00 54.58 54.78 2h3k n ASN 36 Cb 0.79 -2.99 -0.15 0.00 1.23 0.00 0.00 39.78 38.65 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2h3k s GLU 37 N -5.30 3.15 -0.24 1.20 2.56 -1.26 -4.96 118.70 113.85 2h3k s GLU 37 Ca 0.11 -0.75 -0.29 0.00 0.00 0.00 0.00 54.97 54.04 2h3k s GLU 37 Cb -0.06 -2.73 -0.01 0.00 2.00 0.00 0.00 34.13 33.33 2h3k s GLU 37 CO 0.14 -0.18 1.36 0.99 -0.56 0.00 0.00 175.26 177.01 2h3k s THR 38 N 1.30 4.08 -0.76 -1.70 2.01 -1.26 -3.80 115.64 115.51 2h3k s THR 38 Ca 0.04 1.25 -0.16 0.00 0.31 0.00 0.00 61.69 63.13 2h3k s THR 38 Cb -0.14 -4.01 0.16 0.00 0.01 0.00 0.00 72.50 68.53 2h3k s THR 38 CO -0.08 -0.33 0.80 -1.58 -0.69 0.00 0.00 174.62 172.74 2h3k s GLN 39 N 4.07 3.40 -0.83 4.92 0.74 -1.26 -4.92 119.66 125.77 2h3k s GLN 39 Ca 0.59 -1.94 -0.03 0.00 0.05 0.00 0.00 55.36 54.03 2h3k s GLN 39 Cb -0.20 -4.48 0.23 0.00 1.10 0.00 0.00 33.01 29.66 2h3k s GLN 39 CO 0.22 -1.46 2.26 0.98 -0.55 0.00 0.00 175.29 176.73 2h3k n TYR 40 N 5.27 2.49 -0.78 1.67 9.36 -1.26 -4.99 117.16 128.91 2h3k n TYR 40 Ca 0.07 -2.32 -0.20 0.00 3.32 0.00 0.00 57.90 58.77 2h3k n TYR 40 Cb 0.46 -1.33 0.17 0.00 -0.63 0.00 0.00 39.34 38.01 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 0.26 -3.56 0.06 2.98 9.36 -1.26 -4.96 117.16 120.05 2h3k n TYR 41 Ca 0.52 -0.66 -0.14 0.00 3.32 0.00 0.00 57.90 60.95 2h3k n TYR 41 Cb 0.33 -0.78 -0.14 0.00 -0.63 0.00 0.00 39.34 38.12 2h3k n TYR 41 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2h3k h HIS 42 N -2.44 0.32 -0.82 2.98 -0.00 -2.06 -3.40 115.15 109.72 2h3k h HIS 42 Ca -0.28 -0.24 -0.50 0.00 -0.00 0.00 0.00 60.37 59.36 2h3k h HIS 42 Cb 0.86 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 28.19 2h3k h HIS 42 CO 0.00 1.24 1.44 0.12 -0.00 0.00 0.00 177.93 180.74 2h3k s PHE 43 N -2.64 2.33 0.39 5.26 5.36 -1.26 -4.90 117.98 122.51 2h3k s PHE 43 Ca -0.05 -0.47 0.06 0.00 -0.96 0.00 0.00 56.93 55.50 2h3k s PHE 43 Cb 0.08 -4.43 -0.02 0.00 -0.34 0.00 0.00 43.02 38.30 2h3k s PHE 43 CO 0.85 -1.71 0.21 0.12 -1.46 0.00 0.00 175.22 173.23 2h3k s PHE 44 N 7.11 1.78 0.02 10.12 5.36 -1.26 -5.11 117.98 136.00 2h3k s PHE 44 Ca 0.58 -1.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.06 2h3k s PHE 44 Cb -0.00 -0.96 0.00 0.00 -0.34 0.00 0.00 43.02 41.72 2h3k s PHE 44 CO 0.02 -0.59 0.00 0.43 -1.46 0.00 0.00 175.22 173.62 2h3k n SER 45 N -1.52 0.11 -4.46 6.13 7.64 -1.26 -4.72 113.62 115.54 2h3k n SER 45 Ca -0.00 0.03 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 2h3k n SER 45 Cb 0.63 -0.02 0.09 0.00 -1.01 0.00 0.00 64.21 63.90 2h3k n SER 45 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2h3k n ILE 46 N -2.64 1.31 0.00 0.44 -0.00 -1.26 -2.86 119.36 114.35 2h3k n ILE 46 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 2h3k n ILE 46 Cb 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 39.64 38.90 2h3k n ILE 46 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2h3k n LYS 47 N -1.15 0.00 -2.68 0.38 5.02 -1.24 -4.90 118.16 113.60 2h3k n LYS 47 Ca 0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 2h3k n LYS 47 Cb 0.51 -0.29 0.02 0.00 -0.02 0.00 0.00 35.03 35.26 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h3k s ASP 48 N -2.60 5.72 0.57 4.39 1.01 -1.26 -5.06 116.67 119.44 2h3k s ASP 48 Ca 0.00 0.51 -0.17 0.00 0.71 0.00 0.00 52.55 53.60 2h3k s ASP 48 Cb 0.00 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.25 2h3k s ASP 48 CO 0.00 -0.88 1.09 -2.16 0.21 0.00 0.00 175.17 173.43 2h3k s PRO 49 N -4.78 3.30 0.69 8.23 0.04 -1.26 -4.71 135.00 136.50 2h3k s PRO 49 Ca 0.51 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.77 2h3k s PRO 49 Cb -0.10 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2h3k s PRO 49 CO 0.42 -0.85 0.94 0.00 0.04 0.00 0.00 177.00 177.54 2h3k n ALA 50 N -1.72 -0.18 -3.67 8.56 0.00 0.42 -4.65 120.51 119.26 2h3k n ALA 50 Ca 0.10 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 2h3k n ALA 50 Cb 0.52 -2.10 -0.17 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.51 2.47 -0.06 0.00 1.11 -0.46 0.11 116.67 118.33 2h3k s ASP 51 Ca 0.74 -0.44 -0.14 0.00 0.18 0.00 0.00 52.55 52.89 2h3k s ASP 51 Cb -0.37 -1.10 -0.05 0.00 1.07 0.00 0.00 42.92 42.47 2h3k s ASP 51 CO 0.49 0.01 0.37 -0.69 1.18 0.00 0.00 175.17 176.54 2h3k s VAL 52 N 1.01 5.15 -0.64 -1.27 1.01 -0.51 0.02 120.40 125.16 2h3k s VAL 52 Ca -0.06 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.70 2h3k s VAL 52 Cb -0.15 -3.69 0.16 0.00 0.00 0.00 0.00 36.38 32.70 2h3k s VAL 52 CO -0.02 0.51 0.42 -0.31 0.00 0.00 0.00 175.10 175.70 2h3k s TYR 53 N -0.52 3.44 -0.59 5.22 2.02 0.53 0.91 117.35 128.36 2h3k s TYR 53 Ca 0.22 -3.21 -0.26 0.00 -0.37 0.00 0.00 57.07 53.44 2h3k s TYR 53 Cb -0.15 -2.83 -0.04 0.00 -0.40 0.00 0.00 41.96 38.54 2h3k s TYR 53 CO 0.10 -0.65 2.07 0.71 -1.57 0.00 0.00 175.55 176.21 2h3k s TYR 54 N -0.92 1.45 0.23 2.71 2.02 -1.22 -2.22 117.35 119.40 2h3k s TYR 54 Ca 0.22 1.09 0.03 0.00 -0.37 0.00 0.00 57.07 58.03 2h3k s TYR 54 Cb -0.14 -3.89 0.03 0.00 -0.40 0.00 0.00 41.96 37.56 2h3k s TYR 54 CO -0.09 -2.34 0.29 0.25 -1.57 0.00 0.00 175.55 172.09 2h3k n THR 55 N 7.56 0.00 0.26 -0.71 -2.24 -1.20 -4.48 114.28 113.47 2h3k n THR 55 Ca 0.28 -0.81 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2h3k n THR 55 Cb 0.53 -0.68 0.67 0.00 -2.10 0.00 0.00 70.33 68.75 2h3k n THR 55 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 2.10 -1.96 -3.31 116.57 112.62 2h3k h LYS 56 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2h3k h LYS 56 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2h3k h LYS 56 CO 0.17 0.12 -0.09 0.87 -2.00 0.00 0.00 179.45 178.52 2h3k h LYS 57 N 0.00 0.00 -2.40 0.07 1.79 -1.96 -3.51 116.57 110.56 2h3k h LYS 57 Ca -0.00 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 2h3k h LYS 57 Cb 0.48 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.03 2h3k h LYS 57 CO 0.02 0.00 0.46 0.15 -1.08 0.00 0.00 179.45 178.99 2h3k s LYS 58 N -1.34 1.17 0.41 3.15 -0.14 -1.25 -5.11 119.74 116.63 2h3k s LYS 58 Ca -0.03 -0.61 -0.27 0.00 -1.36 0.00 0.00 55.97 53.71 2h3k s LYS 58 Cb 0.00 0.42 -0.10 0.00 -1.68 0.00 0.00 37.83 36.48 2h3k s LYS 58 CO 0.04 -0.53 1.46 0.00 -0.76 0.00 0.00 175.35 175.56 2h3k s ALA 59 N -3.32 3.41 -0.31 5.17 0.00 -1.26 -3.27 121.76 122.18 2h3k s ALA 59 Ca 0.10 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.60 2h3k s ALA 59 Cb -0.02 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 19.60 2h3k s ALA 59 CO -0.00 -1.13 0.07 -1.21 0.00 0.00 0.00 175.76 173.49 2h3k s GLU 60 N -2.27 1.02 0.24 0.00 0.41 -0.94 -2.74 118.70 114.42 2h3k s GLU 60 Ca 0.57 -1.31 -0.30 0.00 -0.41 0.00 0.00 54.97 53.52 2h3k s GLU 60 Cb -0.45 -2.42 -0.09 0.00 -1.78 0.00 0.00 34.13 29.39 2h3k s GLU 60 CO 0.60 -0.93 0.98 0.08 -0.49 0.00 0.00 175.26 175.50 2h3k s VAL 61 N 1.38 3.95 0.12 2.63 1.01 -0.14 -0.35 120.40 129.01 2h3k s VAL 61 Ca 0.09 1.93 0.02 0.00 0.00 0.00 0.00 61.98 64.02 2h3k s VAL 61 Cb -0.18 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2h3k s VAL 61 CO -0.18 0.45 -0.06 -1.83 0.00 0.00 0.00 175.10 173.48 2h3k s GLU 62 N -1.15 0.94 0.09 2.72 4.04 0.10 -0.44 118.70 124.99 2h3k s GLU 62 Ca 0.42 -1.40 0.01 0.00 0.04 0.00 0.00 54.97 54.05 2h3k s GLU 62 Cb -0.27 -0.31 -0.04 0.00 0.02 0.00 0.00 34.13 33.52 2h3k s GLU 62 CO 0.34 -0.02 -0.06 -0.51 -1.84 0.00 0.00 175.26 173.17 2h3k s LEU 63 N -3.10 2.50 -0.52 1.83 1.43 -0.66 -1.35 118.68 118.80 2h3k s LEU 63 Ca 0.15 -0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 2h3k s LEU 63 Cb 0.05 -0.03 0.14 0.00 0.03 0.00 0.00 46.19 46.37 2h3k s LEU 63 CO -0.02 -0.47 0.37 -1.81 0.23 0.00 0.00 176.35 174.65 2h3k s ASP 64 N -2.95 5.58 0.42 2.29 1.01 -1.26 -3.02 116.67 118.74 2h3k s ASP 64 Ca 0.10 -2.23 -0.22 0.00 0.71 0.00 0.00 52.55 50.90 2h3k s ASP 64 Cb 0.05 -1.95 -0.09 0.00 1.01 0.00 0.00 42.92 41.94 2h3k s ASP 64 CO -0.05 -0.57 1.01 -0.63 0.21 0.00 0.00 175.17 175.13 2h3k s ILE 65 N 0.87 3.95 -0.07 0.77 1.09 -1.09 -3.60 121.20 123.12 2h3k s ILE 65 Ca 0.10 1.36 0.10 0.00 -1.10 0.00 0.00 60.65 61.11 2h3k s ILE 65 Cb -0.23 -3.63 -0.15 0.00 -1.06 0.00 0.00 42.46 37.39 2h3k s ILE 65 CO -0.03 -0.12 0.12 -3.20 -0.10 0.00 0.00 174.94 171.61 2h3k n ASN 66 N -0.39 2.43 -3.21 3.58 2.85 -1.13 -2.53 115.26 116.87 2h3k n ASN 66 Ca 0.06 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.20 2h3k n ASN 66 Cb 0.51 1.06 -0.01 0.00 1.24 0.00 0.00 39.78 42.59 2h3k n ASN 66 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2h3k n THR 67 N -2.18 4.36 0.33 -0.44 -2.24 -1.26 -4.22 114.28 108.63 2h3k n THR 67 Ca -0.11 -5.64 0.22 0.00 -2.27 0.00 0.00 64.05 56.25 2h3k n THR 67 Cb 0.62 -1.45 1.19 0.00 -2.10 0.00 0.00 70.33 68.59 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 3.48 1.00 0.00 6.98 0.00 -1.83 -0.51 119.26 128.38 2h3k h ALA 68 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2h3k h ALA 68 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2h3k h ALA 68 CO 1.01 0.00 0.00 0.45 0.00 0.00 0.00 179.25 180.71 2h3k n SER 69 N -3.05 0.00 -0.04 0.00 2.88 -1.26 -3.17 113.62 108.97 2h3k n SER 69 Ca -0.03 0.24 -0.03 0.00 -1.33 0.00 0.00 58.87 57.73 2h3k n SER 69 Cb 0.08 -0.39 -0.09 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.39 0.58 -2.13 2.46 -2.24 -0.20 -4.93 114.28 106.43 2h3k n THR 70 Ca 0.07 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 2h3k n THR 70 Cb 0.19 -0.46 0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.43 2.58 0.00 4.78 0.52 -1.19 -2.51 118.94 120.68 2h3k s TRP 71 Ca -0.05 1.52 0.00 0.00 0.02 0.00 0.00 56.10 57.58 2h3k s TRP 71 Cb 0.05 -3.43 0.00 0.00 -1.15 0.00 0.00 33.47 28.94 2h3k s TRP 71 CO 0.48 -1.91 0.00 1.17 0.02 0.00 0.00 176.95 176.71 2h3k n LYS 72 N -1.20 0.00 -4.46 4.98 4.81 -1.15 -2.77 118.16 118.37 2h3k n LYS 72 Ca 0.11 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.33 2h3k n LYS 72 Cb 0.49 -0.24 -0.10 0.00 0.02 0.00 0.00 35.03 35.20 2h3k n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2h3k s LYS 73 N -1.70 1.63 -0.30 1.64 2.20 -1.25 -0.24 119.74 121.72 2h3k s LYS 73 Ca 0.00 -1.84 -0.19 0.00 -0.36 0.00 0.00 55.97 53.58 2h3k s LYS 73 Cb 0.00 -1.25 0.19 0.00 -1.51 0.00 0.00 37.83 35.27 2h3k s LYS 73 CO 0.00 0.03 1.27 0.12 -0.36 0.00 0.00 175.35 176.41 2h3k s PHE 74 N -2.95 -0.14 -0.43 4.03 5.36 -1.21 -3.77 117.98 118.86 2h3k s PHE 74 Ca 0.31 0.29 0.05 0.00 -0.96 0.00 0.00 56.93 56.62 2h3k s PHE 74 Cb 0.04 0.21 0.19 0.00 -0.34 0.00 0.00 43.02 43.12 2h3k s PHE 74 CO 0.13 -0.07 0.75 -1.21 -1.46 0.00 0.00 175.22 173.36 2h3k s GLU 75 N 0.77 0.79 0.11 10.12 2.02 -0.55 -4.75 118.70 127.22 2h3k s GLU 75 Ca -0.04 -0.53 -0.35 0.00 0.02 0.00 0.00 54.97 54.08 2h3k s GLU 75 Cb -0.03 0.03 -0.15 0.00 0.10 0.00 0.00 34.13 34.08 2h3k s GLU 75 CO -0.12 -1.06 1.53 0.28 0.02 0.00 0.00 175.26 175.91 2h3k n VAL 76 N 3.66 0.05 -4.09 2.63 0.31 -1.25 -3.73 118.33 115.91 2h3k n VAL 76 Ca 0.13 -0.01 -0.24 0.00 -0.01 0.00 0.00 64.34 64.21 2h3k n VAL 76 Cb 0.58 -1.34 -0.17 0.00 -0.91 0.00 0.00 33.84 32.00 2h3k n VAL 76 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2h3k s TYR 77 N 1.09 1.11 -0.04 3.52 5.04 -0.89 0.38 117.35 127.55 2h3k s TYR 77 Ca 0.82 -0.43 -0.04 0.00 -2.44 0.00 0.00 57.07 54.98 2h3k s TYR 77 Cb -0.77 -0.95 0.01 0.00 0.35 0.00 0.00 41.96 40.60 2h3k s TYR 77 CO 0.42 -0.34 0.11 -2.00 -1.34 0.00 0.00 175.55 172.40 2h3k s GLU 78 N 1.33 0.13 -1.42 4.97 2.56 -1.25 -1.23 118.70 123.79 2h3k s GLU 78 Ca -0.03 0.15 -0.09 0.00 0.00 0.00 0.00 54.97 54.99 2h3k s GLU 78 Cb -0.14 0.06 0.04 0.00 2.00 0.00 0.00 34.13 36.10 2h3k s GLU 78 CO -0.03 -0.02 1.01 -1.71 -0.56 0.00 0.00 175.26 173.96 2h3k n ASN 79 N 3.02 -4.56 -3.23 -1.70 2.85 -1.26 -3.06 115.26 107.32 2h3k n ASN 79 Ca -0.12 -0.70 -0.06 0.00 -0.11 0.00 0.00 54.58 53.59 2h3k n ASN 79 Cb 0.59 -4.38 0.00 0.00 1.24 0.00 0.00 39.78 37.24 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 -2.95 -7.12 -2.68 1.20 4.13 -1.26 -4.99 115.26 101.59 2h3k n ASN 80 Ca -0.05 -0.29 -0.04 0.00 1.68 0.00 0.00 54.58 55.89 2h3k n ASN 80 Cb 0.57 -4.49 0.05 0.00 -1.54 0.00 0.00 39.78 34.36 2h3k n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h3k n GLN 81 N -2.00 0.16 -1.54 3.52 6.02 -1.17 -5.09 117.38 117.28 2h3k n GLN 81 Ca -0.07 -0.88 -0.36 0.00 -0.01 0.00 0.00 57.00 55.68 2h3k n GLN 81 Cb 0.55 -0.15 -0.05 0.00 1.02 0.00 0.00 30.24 31.61 2h3k n GLN 81 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2h3k n LYS 82 N 2.25 0.88 -2.23 -1.09 3.00 -1.26 -3.78 118.16 115.93 2h3k n LYS 82 Ca 0.09 -0.05 -0.41 0.00 -0.00 0.00 0.00 58.31 57.94 2h3k n LYS 82 Cb 0.66 -3.21 -0.03 0.00 0.00 0.00 0.00 35.03 32.45 2h3k n LYS 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2h3k s LEU 83 N 11.93 4.45 -0.39 3.14 1.43 0.16 -4.93 118.68 134.46 2h3k s LEU 83 Ca 1.03 2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 56.32 2h3k s LEU 83 Cb -0.31 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.30 2h3k s LEU 83 CO 0.28 -0.45 1.27 -2.16 0.23 0.00 0.00 176.35 175.51 2h3k s PRO 84 N -1.01 3.76 0.29 1.29 0.04 -1.26 -3.84 135.00 134.27 2h3k s PRO 84 Ca 0.51 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 2h3k s PRO 84 Cb -0.37 -3.92 -0.09 0.00 0.04 0.00 0.00 34.50 30.16 2h3k s PRO 84 CO 0.44 -1.33 0.74 0.08 0.04 0.00 0.00 177.00 176.98 2h3k s VAL 85 N 4.68 4.61 0.19 -0.36 1.01 -1.26 -4.81 120.40 124.46 2h3k s VAL 85 Ca 0.54 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.69 2h3k s VAL 85 Cb -0.12 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2h3k s VAL 85 CO 0.28 -0.03 -0.09 0.00 0.00 0.00 0.00 175.10 175.25 2h3k s ARG 86 N -2.59 1.21 -0.21 2.72 3.03 -1.04 -4.96 118.95 117.12 2h3k s ARG 86 Ca 0.50 -1.55 -0.09 0.00 2.03 0.00 0.00 55.73 56.62 2h3k s ARG 86 Cb -0.13 -0.78 -0.05 0.00 -1.03 0.00 0.00 34.95 32.96 2h3k s ARG 86 CO 0.19 0.07 0.11 -0.51 -1.13 0.00 0.00 175.30 174.03 2h3k s LEU 87 N -3.25 3.98 -0.14 -1.89 1.43 -1.26 -2.29 118.68 115.26 2h3k s LEU 87 Ca 0.21 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 2h3k s LEU 87 Cb 0.02 -2.04 -0.23 0.00 0.03 0.00 0.00 46.19 43.97 2h3k s LEU 87 CO 0.04 0.12 0.29 1.33 0.23 0.00 0.00 176.35 178.36 2h3k n VAL 88 N 3.90 1.57 -3.50 -1.59 0.24 -0.57 -4.97 118.33 113.40 2h3k n VAL 88 Ca -0.16 -0.75 -0.16 0.00 -2.04 0.00 0.00 64.34 61.24 2h3k n VAL 88 Cb 0.52 -1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 31.76 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 -6.19 -0.59 -0.14 -1.34 0.15 -1.23 -4.70 113.70 99.65 2h3k s SER 89 Ca -0.15 0.41 -0.07 0.00 0.70 0.00 0.00 55.95 56.85 2h3k s SER 89 Cb 0.07 0.55 0.06 0.00 -1.71 0.00 0.00 66.02 64.99 2h3k s SER 89 CO 0.78 -0.73 0.32 -0.47 1.20 0.00 0.00 173.24 174.34 2h3k s TYR 90 N -2.14 -0.49 0.56 3.44 6.14 -0.85 0.68 117.35 124.69 2h3k s TYR 90 Ca -0.07 1.07 -0.17 0.00 0.64 0.00 0.00 57.07 58.54 2h3k s TYR 90 Cb -0.00 0.13 -0.05 0.00 0.42 0.00 0.00 41.96 42.45 2h3k s TYR 90 CO 0.01 -0.32 1.04 0.45 0.64 0.00 0.00 175.55 177.38 2h3k s SER 91 N 1.65 6.05 0.91 4.32 0.15 0.33 -2.82 113.70 124.28 2h3k s SER 91 Ca -0.07 1.80 -0.11 0.00 0.70 0.00 0.00 55.95 58.27 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 -0.10 -0.98 1.09 -2.16 1.20 0.00 0.00 173.24 172.28 2h3k s PRO 92 N -3.88 1.16 0.13 5.44 0.04 -1.26 -3.69 135.00 132.94 2h3k s PRO 92 Ca 0.64 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 2h3k s PRO 92 Cb -0.15 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.71 2h3k s PRO 92 CO 0.32 -2.33 0.91 0.28 0.04 0.00 0.00 177.00 176.22 2h3k n VAL 93 N -3.95 -0.32 -0.25 -0.36 0.31 -1.26 0.87 118.33 113.37 2h3k n VAL 93 Ca 0.07 1.38 0.04 0.00 -0.01 0.00 0.00 64.34 65.82 2h3k n VAL 93 Cb 0.55 -1.80 0.28 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 0.90 0.05 5.55 0.13 -2.03 -2.25 132.00 134.35 2h3k h PRO 94 Ca 0.19 -0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 64.97 2h3k h PRO 94 Cb 0.33 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 2h3k h PRO 94 CO -0.58 0.60 -1.57 0.93 -0.23 0.00 0.00 178.00 177.16 2h3k h GLU 95 N 0.93 0.10 -6.10 0.86 4.39 0.05 -3.49 114.58 111.32 2h3k h GLU 95 Ca 0.35 -0.17 -0.21 0.00 0.34 0.00 0.00 59.36 59.66 2h3k h GLU 95 Cb 0.18 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2h3k h GLU 95 CO -0.12 0.84 -0.99 -3.47 -1.16 0.00 0.00 179.01 174.12 2h3k n ASP 96 N -3.26 -6.46 -3.55 1.42 -0.08 0.25 -4.93 116.55 99.94 2h3k n ASP 96 Ca -0.15 0.20 -0.03 0.00 -1.51 0.00 0.00 54.79 53.30 2h3k n ASP 96 Cb 1.03 -2.88 -0.05 0.00 2.34 0.00 0.00 41.12 41.55 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 -1.72 -1.19 -0.26 -0.67 3.76 -1.24 -4.27 115.29 109.70 2h3k s HIS 97 Ca 0.28 1.88 -0.04 0.00 -0.15 0.00 0.00 55.06 57.03 2h3k s HIS 97 Cb -0.04 0.56 0.01 0.00 1.11 0.00 0.00 32.58 34.22 2h3k s HIS 97 CO 0.73 -0.65 -0.00 0.00 -0.85 0.00 0.00 174.74 173.97 2h3k s ALA 98 N 2.78 2.87 -0.26 -1.40 0.00 -1.05 0.12 121.76 124.83 2h3k s ALA 98 Ca 0.01 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 2h3k s ALA 98 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 2h3k s ALA 98 CO -0.17 -0.74 0.66 0.71 0.00 0.00 0.00 175.76 176.22 2h3k s TYR 99 N 1.44 3.28 0.42 0.00 2.02 0.22 -2.69 117.35 122.04 2h3k s TYR 99 Ca 0.03 0.85 0.04 0.00 -0.37 0.00 0.00 57.07 57.61 2h3k s TYR 99 Cb -0.16 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2h3k s TYR 99 CO -0.01 -0.34 0.05 0.96 -1.57 0.00 0.00 175.55 174.63 2h3k s ILE 100 N 2.56 1.19 -0.13 2.71 -5.25 -1.17 -1.50 121.20 119.61 2h3k s ILE 100 Ca 0.27 -2.00 -0.33 0.00 -0.99 0.00 0.00 60.65 57.60 2h3k s ILE 100 Cb -0.15 -2.52 0.13 0.00 2.95 0.00 0.00 42.46 42.87 2h3k s ILE 100 CO 0.08 0.00 1.18 0.00 -1.79 0.00 0.00 174.94 174.42 2h3k s ARG 101 N -3.80 0.40 0.10 0.37 1.04 -0.97 -1.66 118.95 114.43 2h3k s ARG 101 Ca 0.23 -0.16 -0.12 0.00 -1.04 0.00 0.00 55.73 54.64 2h3k s ARG 101 Cb 0.05 0.17 0.01 0.00 -2.04 0.00 0.00 34.95 33.15 2h3k s ARG 101 CO 0.12 -0.18 0.28 -0.59 -0.04 0.00 0.00 175.30 174.89 2h3k s PHE 102 N -2.52 -0.01 0.72 5.89 -0.71 0.41 -2.49 117.98 119.27 2h3k s PHE 102 Ca 0.10 -0.35 -0.11 0.00 -1.04 0.00 0.00 56.93 55.53 2h3k s PHE 102 Cb -0.00 0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.92 2h3k s PHE 102 CO -0.05 -0.60 1.07 -1.25 -1.34 0.00 0.00 175.22 173.05 2h3k s PRO 103 N -3.74 2.71 -0.35 1.99 0.04 -1.26 -0.96 135.00 133.43 2h3k s PRO 103 Ca 0.03 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.12 2h3k s PRO 103 Cb 0.03 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.76 2h3k s PRO 103 CO -0.11 -1.28 0.34 0.14 0.04 0.00 0.00 177.00 176.13 2h3k s VAL 104 N -3.00 -0.29 0.46 -0.36 -7.23 -1.11 -4.84 120.40 104.03 2h3k s VAL 104 Ca 0.59 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 2h3k s VAL 104 Cb -0.15 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.99 2h3k s VAL 104 CO 0.55 -0.60 0.67 -0.55 -0.31 0.00 0.00 175.10 174.86 2h3k s SER 105 N 1.62 5.74 -1.38 4.85 0.15 -1.26 -4.33 113.70 119.09 2h3k s SER 105 Ca 0.15 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2h3k s SER 105 Cb -0.16 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2h3k s SER 105 CO -0.11 -0.76 0.00 -0.67 1.20 0.00 0.00 173.24 172.90 2h3k n ASP 106 N -2.09 -4.56 -1.92 5.45 2.03 -1.26 -2.29 116.55 111.90 2h3k n ASP 106 Ca 0.03 0.18 -0.17 0.00 0.52 0.00 0.00 54.79 55.34 2h3k n ASP 106 Cb 0.58 -3.51 -0.01 0.00 -0.72 0.00 0.00 41.12 37.46 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 -1.13 -0.14 3.14 0.27 0.00 -1.18 -4.80 105.19 101.36 2h3k n GLY 107 Ca -0.16 -0.16 -0.58 0.00 0.00 0.00 0.00 46.02 45.13 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 0.37 2.61 -1.04 -0.97 -3.04 114.28 108.34 2h3k n THR 108 Ca -0.20 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.84 2h3k n THR 108 Cb 0.65 -0.47 -0.03 0.00 -1.82 0.00 0.00 70.33 68.67 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 6.30 3.48 -3.74 -2.82 7.27 -1.26 -3.22 117.38 123.40 2h3k n GLN 109 Ca 0.47 -0.23 -0.13 0.00 0.07 0.00 0.00 57.00 57.17 2h3k n GLN 109 Cb -0.04 -0.93 -0.14 0.00 2.41 0.00 0.00 30.24 31.53 2h3k n GLN 109 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2h3k s GLU 110 N -1.51 0.12 0.06 3.69 2.02 -1.26 0.16 118.70 121.98 2h3k s GLU 110 Ca 0.05 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.47 2h3k s GLU 110 Cb 0.06 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.09 2h3k s GLU 110 CO 0.27 -0.17 -0.04 -0.48 0.02 0.00 0.00 175.26 174.85 2h3k s LEU 111 N 1.27 2.43 -0.56 1.80 2.34 -0.94 -4.85 118.68 120.17 2h3k s LEU 111 Ca -0.09 -0.87 -0.10 0.00 0.06 0.00 0.00 54.13 53.13 2h3k s LEU 111 Cb -0.11 0.08 0.14 0.00 -0.56 0.00 0.00 46.19 45.74 2h3k s LEU 111 CO -0.07 -0.48 0.45 -0.54 -1.06 0.00 0.00 176.35 174.66 2h3k s LYS 112 N -3.25 2.76 0.25 1.48 3.01 -0.36 -0.72 119.74 122.91 2h3k s LYS 112 Ca 0.02 -1.97 -0.30 0.00 -1.01 0.00 0.00 55.97 52.72 2h3k s LYS 112 Cb 0.02 -4.05 -0.09 0.00 -1.01 0.00 0.00 37.83 32.70 2h3k s LYS 112 CO -0.06 -1.23 1.32 0.42 0.51 0.00 0.00 175.35 176.31 2h3k s ILE 113 N 1.03 2.99 -0.20 2.17 1.01 0.23 -2.10 121.20 126.32 2h3k s ILE 113 Ca 0.09 0.87 0.01 0.00 0.00 0.00 0.00 60.65 61.62 2h3k s ILE 113 Cb -0.23 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.72 2h3k s ILE 113 CO -0.02 0.16 -0.11 -0.69 0.00 0.00 0.00 174.94 174.28 2h3k s VAL 114 N -0.32 1.69 0.34 2.92 1.01 -1.24 -2.47 120.40 122.32 2h3k s VAL 114 Ca 0.54 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 2h3k s VAL 114 Cb -0.38 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.27 2h3k s VAL 114 CO 0.43 0.17 0.72 -0.55 0.00 0.00 0.00 175.10 175.88 2h3k s SER 115 N 1.37 -0.03 -0.18 3.32 0.15 -1.22 -1.48 113.70 115.64 2h3k s SER 115 Ca -0.02 -0.97 -0.08 0.00 0.70 0.00 0.00 55.95 55.58 2h3k s SER 115 Cb -0.16 0.78 0.07 0.00 -1.71 0.00 0.00 66.02 65.00 2h3k s SER 115 CO -0.08 -1.51 0.40 -0.94 1.20 0.00 0.00 173.24 172.31 2h3k s SER 116 N -3.03 -0.35 0.20 5.45 1.04 -1.25 0.16 113.70 115.93 2h3k s SER 116 Ca 0.15 0.90 0.11 0.00 0.48 0.00 0.00 55.95 57.60 2h3k s SER 116 Cb -0.05 0.98 -0.04 0.00 0.10 0.00 0.00 66.02 67.01 2h3k s SER 116 CO 0.10 -0.21 -0.21 0.42 0.98 0.00 0.00 173.24 174.33 2h3k s THR 117 N 1.94 2.53 -0.07 2.02 -4.23 0.95 -2.94 115.64 115.84 2h3k s THR 117 Ca -0.06 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 2h3k s THR 117 Cb -0.10 -2.23 0.04 0.00 1.34 0.00 0.00 72.50 71.54 2h3k s THR 117 CO -0.12 -0.15 0.10 0.00 -0.54 0.00 0.00 174.62 173.91 2h3k s GLN 118 N -2.79 -0.03 -0.21 3.99 -2.07 -1.05 -0.46 119.66 117.04 2h3k s GLN 118 Ca 0.22 0.40 0.15 0.00 -1.82 0.00 0.00 55.36 54.31 2h3k s GLN 118 Cb -0.08 -0.56 0.61 0.00 -1.09 0.00 0.00 33.01 31.89 2h3k s GLN 118 CO 0.11 -0.36 1.53 -0.89 -1.32 0.00 0.00 175.29 174.36 2h3k n ILE 119 N 5.31 2.47 -3.89 3.63 -0.00 -1.26 -4.78 119.36 120.83 2h3k n ILE 119 Ca -0.04 -1.84 -0.25 0.00 -0.00 0.00 0.00 62.75 60.62 2h3k n ILE 119 Cb 0.50 -0.28 -0.00 0.00 -0.00 0.00 0.00 39.64 39.86 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 -0.31 -0.98 0.00 4.38 2.03 -1.26 -4.90 116.55 115.51 2h3k n ASP 120 Ca 0.25 -0.94 -0.00 0.00 0.52 0.00 0.00 54.79 54.62 2h3k n ASP 120 Cb 1.01 -3.39 -0.00 0.00 -0.72 0.00 0.00 41.12 38.02 2h3k n ASP 120 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2h3k n ASP 121 N -2.98 0.15 0.01 1.67 9.92 -1.26 -5.07 116.55 118.99 2h3k n ASP 121 Ca -0.27 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 2h3k n ASP 121 Cb 0.66 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 2h3k n ASP 121 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2h3k n GLY 122 N 2.79 -0.18 3.36 0.44 0.00 -1.26 -5.12 105.19 105.22 2h3k n GLY 122 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2h3k n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3k s GLU 123 N -1.09 1.32 -0.02 1.61 2.02 -1.26 -5.10 118.70 116.18 2h3k s GLU 123 Ca 0.00 -1.33 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 2h3k s GLU 123 Cb 0.00 -1.67 -0.05 0.00 0.10 0.00 0.00 34.13 32.51 2h3k s GLU 123 CO 0.00 0.38 1.31 -2.00 0.02 0.00 0.00 175.26 174.97 2h3k s GLU 124 N -2.20 4.32 -0.79 1.61 2.12 -1.26 -4.83 118.70 117.67 2h3k s GLU 124 Ca 0.13 1.83 -0.25 0.00 0.36 0.00 0.00 54.97 57.04 2h3k s GLU 124 Cb -0.09 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 2h3k s GLU 124 CO 0.06 -0.51 1.71 0.99 -0.54 0.00 0.00 175.26 176.98 2h3k s THR 125 N 2.25 3.54 -0.24 -1.70 2.01 0.39 -4.91 115.64 116.97 2h3k s THR 125 Ca 0.60 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.43 2h3k s THR 125 Cb -0.28 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2h3k s THR 125 CO 0.25 -1.26 0.11 0.21 -0.69 0.00 0.00 174.62 173.24 2h3k s ASN 126 N 6.79 5.57 -1.01 3.53 2.47 -1.26 -0.04 114.94 130.99 2h3k s ASN 126 Ca 0.59 -0.06 -0.13 0.00 0.42 0.00 0.00 52.86 53.67 2h3k s ASN 126 Cb -0.08 -2.00 0.22 0.00 -1.45 0.00 0.00 41.25 37.93 2h3k s ASN 126 CO 0.08 0.01 1.06 -0.31 -3.72 0.00 0.00 177.10 174.23 2h3k s TYR 127 N 1.35 3.79 0.32 0.43 2.02 0.12 -4.83 117.35 120.55 2h3k s TYR 127 Ca 0.06 -2.16 0.35 0.00 -0.37 0.00 0.00 57.07 54.95 2h3k s TYR 127 Cb -0.15 -3.99 1.67 0.00 -0.40 0.00 0.00 41.96 39.09 2h3k s TYR 127 CO 0.05 -1.13 2.11 0.22 -1.57 0.00 0.00 175.55 175.23 2h3k h ASP 128 N 7.47 0.00 -0.70 2.29 3.58 -1.89 -3.23 116.42 123.93 2h3k h ASP 128 Ca 0.18 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.76 2h3k h ASP 128 Cb 0.95 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.80 2h3k h ASP 128 CO 0.98 0.03 -0.15 -0.47 -2.88 0.00 0.00 179.24 176.76 2h3k s TYR 129 N -3.90 -1.21 -0.34 0.28 5.04 -1.26 -4.97 117.35 111.00 2h3k s TYR 129 Ca -0.01 1.02 -0.01 0.00 -2.44 0.00 0.00 57.07 55.62 2h3k s TYR 129 Cb 0.11 0.32 0.08 0.00 0.35 0.00 0.00 41.96 42.82 2h3k s TYR 129 CO 0.52 -0.68 0.06 0.99 -1.34 0.00 0.00 175.55 175.10 2h3k s THR 130 N 2.89 2.94 -0.84 4.34 2.01 -1.03 -4.44 115.64 121.50 2h3k s THR 130 Ca 0.14 -1.73 -0.25 0.00 0.31 0.00 0.00 61.69 60.16 2h3k s THR 130 Cb -0.10 -2.85 0.05 0.00 0.01 0.00 0.00 72.50 69.60 2h3k s THR 130 CO -0.20 -0.35 1.30 -0.75 -0.69 0.00 0.00 174.62 173.93 2h3k s LYS 131 N 1.16 3.35 -0.58 4.92 2.20 -1.04 -0.60 119.74 129.16 2h3k s LYS 131 Ca 0.01 -0.71 -0.18 0.00 -0.36 0.00 0.00 55.97 54.72 2h3k s LYS 131 Cb -0.21 -4.65 0.10 0.00 -1.51 0.00 0.00 37.83 31.56 2h3k s LYS 131 CO -0.03 -2.11 0.67 -1.17 -0.36 0.00 0.00 175.35 172.34 2h3k s LEU 132 N 5.11 5.46 -0.42 5.43 0.20 0.10 -2.61 118.68 131.95 2h3k s LEU 132 Ca 0.37 -1.43 -0.23 0.00 0.69 0.00 0.00 54.13 53.53 2h3k s LEU 132 Cb -0.06 -2.30 0.02 0.00 -0.43 0.00 0.00 46.19 43.42 2h3k s LEU 132 CO 0.04 -1.06 0.81 -0.69 -0.29 0.00 0.00 176.35 175.16 2h3k s VAL 133 N 2.53 4.66 1.05 1.68 1.01 -0.46 -2.21 120.40 128.66 2h3k s VAL 133 Ca 0.11 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.61 2h3k s VAL 133 Cb -0.25 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 31.96 2h3k s VAL 133 CO 0.06 -0.62 0.46 0.49 0.00 0.00 0.00 175.10 175.49 2h3k n PHE 134 N 6.66 -1.13 0.16 5.22 3.72 0.43 0.31 117.46 132.84 2h3k n PHE 134 Ca 0.03 0.15 0.04 0.00 -0.05 0.00 0.00 57.45 57.62 2h3k n PHE 134 Cb 0.48 -1.72 0.23 0.00 -0.94 0.00 0.00 39.48 37.53 2h3k n PHE 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3k h ALA 135 N -1.98 0.88 -2.88 4.37 0.00 -0.18 -3.42 119.26 116.04 2h3k h ALA 135 Ca -0.50 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 2h3k h ALA 135 Cb 1.32 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 2h3k h ALA 135 CO 0.39 0.58 -0.02 -1.59 0.00 0.00 0.00 179.25 178.61 2h3k s LYS 136 N -3.41 1.65 0.23 0.00 -2.85 -1.26 -5.00 119.74 109.09 2h3k s LYS 136 Ca 0.01 -1.21 -0.30 0.00 -1.00 0.00 0.00 55.97 53.47 2h3k s LYS 136 Cb 0.10 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.29 2h3k s LYS 136 CO 0.71 -0.71 1.23 -1.25 0.10 0.00 0.00 175.35 175.44 2h3k s PRO 137 N -3.90 4.47 -0.47 1.78 0.04 -1.26 -4.63 135.00 131.03 2h3k s PRO 137 Ca 0.20 1.97 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 2h3k s PRO 137 Cb -0.02 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.38 2h3k s PRO 137 CO 0.09 -0.10 0.47 0.42 0.04 0.00 0.00 177.00 177.92 2h3k s ILE 138 N -0.36 5.09 -0.14 0.56 -1.09 -1.17 -4.92 121.20 119.17 2h3k s ILE 138 Ca 0.52 -0.69 -0.00 0.00 -2.23 0.00 0.00 60.65 58.24 2h3k s ILE 138 Cb -0.35 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.38 2h3k s ILE 138 CO 0.40 -0.59 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.08 2h3k s TYR 139 N 2.06 2.81 0.83 3.97 2.02 -1.26 -3.08 117.35 124.70 2h3k s TYR 139 Ca 0.09 -0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 55.91 2h3k s TYR 139 Cb -0.21 -1.87 0.10 0.00 -0.40 0.00 0.00 41.96 39.58 2h3k s TYR 139 CO 0.10 -0.29 1.20 -1.71 -1.57 0.00 0.00 175.55 173.28 2h3k n ASN 140 N 3.72 0.93 -3.83 2.29 2.85 -1.26 -4.93 115.26 115.02 2h3k n ASN 140 Ca -0.18 0.56 -0.30 0.00 -0.11 0.00 0.00 54.58 54.55 2h3k n ASN 140 Cb 0.52 -1.51 -0.13 0.00 1.24 0.00 0.00 39.78 39.90 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 -2.21 4.00 0.30 1.20 1.01 -1.26 -4.92 116.67 114.79 2h3k s ASP 141 Ca 0.72 -2.88 0.26 0.00 0.71 0.00 0.00 52.55 51.36 2h3k s ASP 141 Cb -0.28 -1.35 0.99 0.00 1.01 0.00 0.00 42.92 43.28 2h3k s ASP 141 CO 0.52 -0.24 1.76 1.55 0.21 0.00 0.00 175.17 178.97 2h3k h PRO 142 N 6.54 0.00 -0.15 8.23 0.13 -1.94 -3.16 132.00 141.65 2h3k h PRO 142 Ca -0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 2h3k h PRO 142 Cb 0.90 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.76 2h3k h PRO 142 CO 0.59 0.00 -0.85 0.45 -0.23 0.00 0.00 178.00 177.97 2h3k n SER 143 N -2.41 1.79 0.00 1.44 2.88 -1.26 -5.14 113.62 110.91 2h3k n SER 143 Ca 0.03 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 2h3k n SER 143 Cb 0.29 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70