#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g63 n TYR 2 N 0.00 -3.69 -0.66 1.12 4.02 0.77 -4.75 117.16 113.96 1g63 n TYR 2 Ca 0.00 -1.11 -0.30 0.00 -0.01 0.00 0.00 57.90 56.47 1g63 n TYR 2 Cb 0.00 -0.77 0.27 0.00 -0.02 0.00 0.00 39.34 38.82 1g63 n TYR 2 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1g63 s GLY 3 N -5.15 1.48 0.35 2.72 0.00 -1.26 -0.50 107.32 104.97 1g63 s GLY 3 Ca 0.60 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 44.15 1g63 s GLY 3 CO 0.41 0.09 1.51 0.54 0.00 0.00 0.00 173.10 175.65 1g63 s LYS 4 N -5.22 4.12 -0.02 2.90 1.02 -1.26 -3.64 119.74 117.64 1g63 s LYS 4 Ca 0.70 2.56 0.07 0.00 0.02 0.00 0.00 55.97 59.31 1g63 s LYS 4 Cb -0.12 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1g63 s LYS 4 CO 0.57 -0.55 -0.23 -1.17 -0.92 0.00 0.00 175.35 173.05 1g63 s LEU 5 N -1.56 2.04 -0.13 3.17 0.20 0.26 -1.42 118.68 121.24 1g63 s LEU 5 Ca 0.56 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.98 1g63 s LEU 5 Cb -0.47 -1.18 0.00 0.00 -0.43 0.00 0.00 46.19 44.11 1g63 s LEU 5 CO 0.58 0.27 -0.20 -0.22 -0.29 0.00 0.00 176.35 176.49 1g63 s LEU 6 N -0.45 2.29 -0.17 -0.68 2.96 0.02 -0.67 118.68 121.98 1g63 s LEU 6 Ca 0.06 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1g63 s LEU 6 Cb -0.10 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1g63 s LEU 6 CO -0.00 0.12 0.16 -0.63 -1.32 0.00 0.00 176.35 174.68 1g63 s ILE 7 N 0.59 5.40 -0.50 6.68 1.01 0.49 -0.76 121.20 134.12 1g63 s ILE 7 Ca -0.11 0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1g63 s ILE 7 Cb -0.16 -3.49 0.13 0.00 0.01 0.00 0.00 42.46 38.95 1g63 s ILE 7 CO 0.03 0.47 0.26 0.00 0.00 0.00 0.00 174.94 175.70 1g63 s ALA 9 N 0.28 3.49 0.46 0.00 0.00 -0.47 -1.81 121.76 123.72 1g63 s ALA 9 Ca 0.14 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.33 1g63 s ALA 9 Cb -0.22 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1g63 s ALA 9 CO -0.03 0.28 0.09 0.95 0.00 0.00 0.00 175.76 177.04 1g63 s THR 10 N -0.83 1.75 -0.37 0.00 -4.23 -1.03 -1.65 115.64 109.28 1g63 s THR 10 Ca 0.33 -1.88 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1g63 s THR 10 Cb -0.21 -2.62 -0.12 0.00 1.34 0.00 0.00 72.50 70.89 1g63 s THR 10 CO 0.22 0.00 2.31 0.00 -0.54 0.00 0.00 174.62 176.61 1g63 n ALA 11 N -1.22 4.51 -2.70 3.99 0.00 -1.26 -4.63 120.51 119.20 1g63 n ALA 11 Ca -0.09 -1.48 -0.33 0.00 0.00 0.00 0.00 53.44 51.54 1g63 n ALA 11 Cb 0.66 -2.57 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 1g63 n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g63 s SER 12 N 2.74 6.50 0.33 0.00 0.15 -1.26 -4.96 113.70 117.20 1g63 s SER 12 Ca 0.41 0.58 0.06 0.00 0.70 0.00 0.00 55.95 57.70 1g63 s SER 12 Cb 0.16 -2.09 0.73 0.00 -1.71 0.00 0.00 66.02 63.11 1g63 s SER 12 CO -0.01 0.12 1.86 -0.29 1.20 0.00 0.00 173.24 176.12 1g63 h ILE 13 N 2.37 0.87 0.00 6.45 6.09 -1.89 -0.37 117.51 131.03 1g63 h ILE 13 Ca -0.47 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 1g63 h ILE 13 Cb 1.17 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.47 1g63 h ILE 13 CO 0.71 0.15 0.00 0.59 -3.07 0.00 0.00 178.15 176.52 1g63 n ASN 14 N -4.57 0.00 0.12 2.19 4.13 -1.26 -2.49 115.26 113.37 1g63 n ASN 14 Ca 0.17 0.16 0.10 0.00 1.68 0.00 0.00 54.58 56.69 1g63 n ASN 14 Cb 0.42 -0.25 0.46 0.00 -1.54 0.00 0.00 39.78 38.86 1g63 n ASN 14 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1g63 n VAL 15 N -1.25 1.05 0.64 2.41 3.14 -0.15 -1.21 118.33 122.95 1g63 n VAL 15 Ca 0.03 0.45 0.11 0.00 -2.96 0.00 0.00 64.34 61.97 1g63 n VAL 15 Cb 0.04 -1.39 0.45 0.00 -1.06 0.00 0.00 33.84 31.88 1g63 n VAL 15 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1g63 n ILE 16 N -2.09 0.61 -0.12 1.55 -5.35 -1.04 -2.58 119.36 110.34 1g63 n ILE 16 Ca 0.01 0.09 0.05 0.00 -0.27 0.00 0.00 62.75 62.62 1g63 n ILE 16 Cb 0.13 -0.82 0.13 0.00 -1.74 0.00 0.00 39.64 37.33 1g63 n ILE 16 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1g63 n ASN 17 N -1.78 2.75 0.19 7.28 5.03 -0.35 -4.64 115.26 123.74 1g63 n ASN 17 Ca 0.05 -1.97 0.12 0.00 0.87 0.00 0.00 54.58 53.65 1g63 n ASN 17 Cb 0.27 -0.19 0.68 0.00 -1.02 0.00 0.00 39.78 39.53 1g63 n ASN 17 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1g63 h ILE 18 N 1.76 0.86 -0.14 2.41 6.09 -1.54 -1.96 117.51 124.99 1g63 h ILE 18 Ca 0.00 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.50 1g63 h ILE 18 Cb 0.68 0.92 -0.01 0.00 0.47 0.00 0.00 36.82 38.88 1g63 h ILE 18 CO 0.00 0.00 0.10 -0.55 -3.07 0.00 0.00 178.15 174.63 1g63 h ASN 19 N 0.00 0.13 -0.41 2.19 -1.07 -1.83 -2.36 115.58 112.23 1g63 h ASN 19 Ca 0.07 -0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.37 1g63 h ASN 19 Cb 0.31 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 36.51 1g63 h ASN 19 CO -0.00 0.10 -0.01 0.45 0.07 0.00 0.00 177.43 178.03 1g63 h HIS 20 N 0.16 0.81 -0.68 4.14 3.86 -1.72 -2.99 115.15 118.73 1g63 h HIS 20 Ca 0.06 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1g63 h HIS 20 Cb 0.04 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1g63 h HIS 20 CO -0.00 0.82 0.27 1.88 0.86 0.00 0.00 177.93 181.75 1g63 h TYR 21 N 0.57 1.05 0.09 2.45 -1.99 -1.55 -3.10 116.97 114.49 1g63 h TYR 21 Ca 0.12 -0.08 0.02 0.00 2.00 0.00 0.00 58.73 60.78 1g63 h TYR 21 Cb 0.50 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 1g63 h TYR 21 CO 0.04 0.82 -0.51 0.82 -0.00 0.00 0.00 178.16 179.33 1g63 h ILE 22 N 0.98 0.03 0.00 -2.88 2.04 -1.32 0.89 117.51 117.24 1g63 h ILE 22 Ca 0.23 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 1g63 h ILE 22 Cb 0.22 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1g63 h ILE 22 CO -0.02 0.00 -0.09 1.62 0.00 0.00 0.00 178.15 179.66 1g63 h VAL 23 N -0.72 0.56 0.05 1.67 3.04 -1.59 0.12 116.25 119.38 1g63 h VAL 23 Ca 0.01 -0.42 -0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1g63 h VAL 23 Cb 0.74 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1g63 h VAL 23 CO -0.30 0.09 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.25 1g63 h GLU 24 N 0.00 -0.07 0.00 4.17 4.57 -1.32 -3.22 114.58 118.72 1g63 h GLU 24 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1g63 h GLU 24 Cb 0.26 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1g63 h GLU 24 CO 0.01 0.54 0.00 -0.07 -1.18 0.00 0.00 179.01 178.31 1g63 h LEU 25 N -0.77 0.00 -1.50 1.64 3.38 -0.55 -3.02 115.31 114.48 1g63 h LEU 25 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1g63 h LEU 25 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1g63 h LEU 25 CO 0.01 0.00 0.28 0.11 0.09 0.00 0.00 178.44 178.93 1g63 h LYS 26 N 0.00 0.61 -0.06 1.13 1.79 -0.78 -2.05 116.57 117.21 1g63 h LYS 26 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1g63 h LYS 26 Cb 0.47 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1g63 h LYS 26 CO 0.00 0.43 0.00 1.04 -1.08 0.00 0.00 179.45 179.84 1g63 n GLN 27 N -4.44 0.99 0.00 3.15 6.02 -1.14 -3.82 117.38 118.14 1g63 n GLN 27 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1g63 n GLN 27 Cb 0.07 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1g63 n GLN 27 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1g63 n HIS 28 N -0.47 0.00 -4.84 1.08 8.25 -0.80 -4.95 115.22 113.49 1g63 n HIS 28 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1g63 n HIS 28 Cb 0.01 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.99 1g63 n HIS 28 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1g63 s PHE 29 N -1.51 2.75 0.32 4.41 0.40 -1.05 -0.16 117.98 123.15 1g63 s PHE 29 Ca 0.00 -0.34 0.11 0.00 -0.60 0.00 0.00 56.93 56.10 1g63 s PHE 29 Cb 0.00 -1.72 1.02 0.00 0.51 0.00 0.00 43.02 42.83 1g63 s PHE 29 CO 0.00 0.03 1.49 -0.25 0.70 0.00 0.00 175.22 177.20 1g63 n ASP 30 N 2.78 0.12 -3.85 1.36 10.43 0.35 -4.39 116.55 123.34 1g63 n ASP 30 Ca -0.18 1.59 -0.12 0.00 2.57 0.00 0.00 54.79 58.66 1g63 n ASP 30 Cb 0.52 -0.68 -0.10 0.00 1.84 0.00 0.00 41.12 42.70 1g63 n ASP 30 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1g63 s GLU 31 N -5.68 0.43 -0.24 -1.24 2.02 -1.26 -4.98 118.70 107.74 1g63 s GLU 31 Ca -0.10 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.62 1g63 s GLU 31 Cb 0.30 0.18 0.07 0.00 0.10 0.00 0.00 34.13 34.79 1g63 s GLU 31 CO 0.74 -0.10 0.04 0.54 0.02 0.00 0.00 175.26 176.50 1g63 s VAL 32 N -1.05 0.85 0.26 2.63 0.11 -1.26 -0.57 120.40 121.37 1g63 s VAL 32 Ca -0.11 -0.99 0.08 0.00 -2.93 0.00 0.00 61.98 58.02 1g63 s VAL 32 Cb -0.06 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1g63 s VAL 32 CO 0.01 -0.36 0.13 0.20 -3.33 0.00 0.00 175.10 171.76 1g63 s ASN 33 N 1.68 5.16 0.09 3.54 0.02 0.15 -2.18 114.94 123.41 1g63 s ASN 33 Ca 0.02 -0.41 0.03 0.00 -1.02 0.00 0.00 52.86 51.48 1g63 s ASN 33 Cb -0.17 -1.17 -0.04 0.00 0.02 0.00 0.00 41.25 39.89 1g63 s ASN 33 CO -0.14 -0.05 -0.09 -0.51 0.02 0.00 0.00 177.10 176.33 1g63 s ILE 34 N -2.22 0.86 -0.11 0.60 2.07 -0.40 -0.38 121.20 121.62 1g63 s ILE 34 Ca 0.33 -1.61 -0.08 0.00 -1.41 0.00 0.00 60.65 57.88 1g63 s ILE 34 Cb -0.07 -1.31 0.04 0.00 0.13 0.00 0.00 42.46 41.24 1g63 s ILE 34 CO 0.23 -0.58 0.27 -0.22 -1.91 0.00 0.00 174.94 172.74 1g63 s LEU 35 N -2.42 0.70 0.23 8.50 0.20 -0.24 -1.59 118.68 124.06 1g63 s LEU 35 Ca 0.04 0.56 0.10 0.00 0.69 0.00 0.00 54.13 55.53 1g63 s LEU 35 Cb -0.03 0.88 -0.05 0.00 -0.43 0.00 0.00 46.19 46.57 1g63 s LEU 35 CO -0.01 -0.13 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.43 1g63 s PHE 36 N 0.63 2.47 0.45 5.38 0.40 -1.26 -1.37 117.98 124.69 1g63 s PHE 36 Ca -0.04 -0.28 -0.17 0.00 -0.60 0.00 0.00 56.93 55.84 1g63 s PHE 36 Cb -0.05 -1.15 -0.09 0.00 0.51 0.00 0.00 43.02 42.24 1g63 s PHE 36 CO -0.04 0.59 0.91 -1.54 0.70 0.00 0.00 175.22 175.85 1g63 s SER 37 N -3.18 6.72 0.18 1.36 1.04 -0.66 -4.65 113.70 114.52 1g63 s SER 37 Ca 0.27 1.50 -0.14 0.00 0.48 0.00 0.00 55.95 58.06 1g63 s SER 37 Cb -0.07 -2.47 0.18 0.00 0.10 0.00 0.00 66.02 63.76 1g63 s SER 37 CO 0.15 -0.44 1.70 -0.65 0.98 0.00 0.00 173.24 174.98 1g63 h PRO 38 N 1.44 0.16 -0.05 4.02 0.11 -2.00 -1.04 132.00 134.64 1g63 h PRO 38 Ca -0.48 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1g63 h PRO 38 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1g63 h PRO 38 CO 0.62 0.10 0.11 0.77 -0.21 0.00 0.00 178.00 179.40 1g63 h SER 39 N 0.16 0.00 -0.41 -2.05 0.02 -1.98 -1.82 113.55 107.46 1g63 h SER 39 Ca 0.24 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1g63 h SER 39 Cb 0.35 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1g63 h SER 39 CO -0.36 0.00 0.28 0.28 -1.14 0.00 0.00 176.83 175.88 1g63 h SER 40 N 0.00 0.29 0.14 3.07 0.02 -1.51 -2.09 113.55 113.47 1g63 h SER 40 Ca 0.02 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1g63 h SER 40 Cb 0.24 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1g63 h SER 40 CO -0.00 0.19 0.00 0.29 -1.14 0.00 0.00 176.83 176.17 1g63 n LYS 41 N -4.48 0.02 0.00 3.45 4.01 -0.69 -1.35 118.16 119.12 1g63 n LYS 41 Ca 0.05 0.45 0.14 0.00 -0.51 0.00 0.00 58.31 58.44 1g63 n LYS 41 Cb 0.24 -1.55 0.52 0.00 -0.51 0.00 0.00 35.03 33.74 1g63 n LYS 41 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1g63 n ASN 42 N -1.58 0.97 -0.04 4.39 5.03 -0.79 -4.11 115.26 119.14 1g63 n ASN 42 Ca 0.01 -1.02 -0.04 0.00 0.87 0.00 0.00 54.58 54.40 1g63 n ASN 42 Cb 0.05 0.03 -0.05 0.00 -1.02 0.00 0.00 39.78 38.79 1g63 n ASN 42 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1g63 n PHE 43 N -0.48 0.00 -4.09 3.10 3.01 -0.46 -5.08 117.46 113.47 1g63 n PHE 43 Ca 0.16 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.51 1g63 n PHE 43 Cb 0.32 -0.33 -0.08 0.00 -0.01 0.00 0.00 39.48 39.38 1g63 n PHE 43 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1g63 s ILE 44 N -2.16 0.03 -0.51 4.37 -4.36 -1.18 -4.87 121.20 112.51 1g63 s ILE 44 Ca -0.05 -1.70 -0.20 0.00 -0.26 0.00 0.00 60.65 58.45 1g63 s ILE 44 Cb 0.02 -2.23 0.06 0.00 1.25 0.00 0.00 42.46 41.56 1g63 s ILE 44 CO 0.25 -0.12 0.65 0.21 0.24 0.00 0.00 174.94 176.18 1g63 s ASN 45 N -3.07 6.23 0.23 4.36 3.84 -1.26 -4.52 114.94 120.75 1g63 s ASN 45 Ca 0.28 -0.86 0.17 0.00 0.21 0.00 0.00 52.86 52.66 1g63 s ASN 45 Cb 0.04 -2.30 0.87 0.00 -0.55 0.00 0.00 41.25 39.31 1g63 s ASN 45 CO 0.07 -0.92 1.52 0.35 -2.79 0.00 0.00 177.10 175.34 1g63 n THR 46 N 5.67 1.20 0.10 -5.21 -2.24 -1.26 -2.74 114.28 109.80 1g63 n THR 46 Ca -0.06 0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 62.26 1g63 n THR 46 Cb 0.46 -1.56 0.07 0.00 -2.10 0.00 0.00 70.33 67.20 1g63 n THR 46 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g63 h ASP 47 N 0.00 0.14 -0.45 3.42 3.32 -2.03 -3.15 116.42 117.67 1g63 h ASP 47 Ca 0.00 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.04 1g63 h ASP 47 Cb 0.07 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1g63 h ASP 47 CO 0.00 0.82 0.31 0.58 -1.72 0.00 0.00 179.24 179.23 1g63 h VAL 48 N 0.07 0.88 0.00 -1.35 2.07 -1.95 -0.32 116.25 115.66 1g63 h VAL 48 Ca -0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1g63 h VAL 48 Cb 1.29 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1g63 h VAL 48 CO 0.10 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 1g63 h LEU 49 N 0.22 0.00 -2.03 2.57 -0.00 -1.74 -0.10 115.31 114.23 1g63 h LEU 49 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1g63 h LEU 49 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1g63 h LEU 49 CO -0.04 0.00 -0.05 0.11 -0.00 0.00 0.00 178.44 178.46 1g63 h LYS 50 N 0.00 0.00 0.00 1.13 1.57 -1.25 0.16 116.57 118.18 1g63 h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1g63 h LYS 50 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1g63 h LYS 50 CO 0.00 0.05 0.00 -0.07 -0.57 0.00 0.00 179.45 178.86 1g63 h LEU 51 N 0.00 0.00 0.00 2.94 3.38 -1.18 -3.32 115.31 117.13 1g63 h LEU 51 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1g63 h LEU 51 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1g63 h LEU 51 CO 0.01 0.00 -1.32 0.49 0.09 0.00 0.00 178.44 177.71 1g63 n PHE 52 N -2.51 0.00 -3.40 1.13 3.01 -0.51 -5.05 117.46 110.14 1g63 n PHE 52 Ca 0.03 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.21 1g63 n PHE 52 Cb 0.36 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 1g63 n PHE 52 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1g63 h ASP 54 N 1.66 0.27 -4.63 0.00 3.32 -1.74 -3.45 116.42 111.86 1g63 h ASP 54 Ca -0.48 -0.47 -0.17 0.00 0.02 0.00 0.00 57.03 55.92 1g63 h ASP 54 Cb 1.19 -0.08 -0.23 0.00 0.22 0.00 0.00 39.33 40.44 1g63 h ASP 54 CO 0.66 0.68 -0.62 0.20 -1.72 0.00 0.00 179.24 178.44 1g63 s ASN 55 N -5.98 0.09 -0.16 6.45 -0.87 -1.26 -5.05 114.94 108.15 1g63 s ASN 55 Ca -0.15 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 50.91 1g63 s ASN 55 Cb 0.04 0.14 0.03 0.00 -0.02 0.00 0.00 41.25 41.45 1g63 s ASN 55 CO 0.73 -0.24 -0.09 -0.22 -2.57 0.00 0.00 177.10 174.70 1g63 s LEU 56 N -1.01 1.78 -0.19 0.60 2.96 -1.26 -1.28 118.68 120.28 1g63 s LEU 56 Ca -0.11 -0.64 -0.18 0.00 -0.22 0.00 0.00 54.13 52.98 1g63 s LEU 56 Cb -0.07 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 1g63 s LEU 56 CO 0.00 -0.13 0.51 -0.31 -1.32 0.00 0.00 176.35 175.10 1g63 s TYR 57 N 1.53 3.38 -0.18 5.38 1.51 -0.62 -5.01 117.35 123.35 1g63 s TYR 57 Ca 0.02 0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 56.86 1g63 s TYR 57 Cb -0.15 -2.66 0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1g63 s TYR 57 CO -0.09 -0.08 -0.06 0.34 -1.11 0.00 0.00 175.55 174.55 1g63 s ASP 58 N 1.11 3.04 0.55 2.29 2.15 -1.26 -4.41 116.67 120.14 1g63 s ASP 58 Ca 0.24 -0.76 0.34 0.00 0.43 0.00 0.00 52.55 52.80 1g63 s ASP 58 Cb -0.15 -1.00 1.42 0.00 -0.30 0.00 0.00 42.92 42.89 1g63 s ASP 58 CO 0.10 -0.18 2.01 1.05 -0.17 0.00 0.00 175.17 177.97 1g63 h GLU 59 N 8.07 0.00 0.04 4.34 4.11 -1.94 -0.98 114.58 128.22 1g63 h GLU 59 Ca -0.25 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.05 1g63 h GLU 59 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1g63 h GLU 59 CO 0.42 0.02 -0.55 0.82 0.07 0.00 0.00 179.01 179.78 1g63 h ILE 60 N 0.00 1.51 -0.23 -1.06 2.04 -1.97 -0.76 117.51 117.04 1g63 h ILE 60 Ca -0.00 -2.21 -0.00 0.00 1.00 0.00 0.00 64.86 63.65 1g63 h ILE 60 Cb 0.48 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1g63 h ILE 60 CO 0.00 0.63 0.14 0.50 0.00 0.00 0.00 178.15 179.42 1g63 h LYS 61 N -0.33 0.32 -3.62 2.37 3.11 -1.96 -3.37 116.57 113.08 1g63 h LYS 61 Ca -0.08 -0.03 -0.59 0.00 -2.81 0.00 0.00 60.65 57.14 1g63 h LYS 61 Cb 1.33 -0.07 -0.40 0.00 -1.00 0.00 0.00 32.23 32.09 1g63 h LYS 61 CO 0.11 0.25 -0.75 0.34 -2.81 0.00 0.00 179.45 176.59 1g63 s ASP 62 N -5.46 4.08 0.00 4.20 3.68 -0.39 -4.98 116.67 117.79 1g63 s ASP 62 Ca -0.13 -1.68 0.20 0.00 2.13 0.00 0.00 52.55 53.07 1g63 s ASP 62 Cb 0.09 -0.91 1.02 0.00 -1.45 0.00 0.00 42.92 41.66 1g63 s ASP 62 CO 0.70 -0.41 1.61 -2.65 0.13 0.00 0.00 175.17 174.55 1g63 n PRO 63 N 4.80 0.33 -1.47 4.34 -0.02 -0.29 -3.49 135.00 139.19 1g63 n PRO 63 Ca -0.02 0.09 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 1g63 n PRO 63 Cb 0.42 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.49 1g63 n PRO 63 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g63 n LEU 64 N -1.25 4.45 -4.76 2.45 7.99 -1.26 -5.05 117.00 119.56 1g63 n LEU 64 Ca 0.10 -4.40 -0.40 0.00 -0.01 0.00 0.00 56.01 51.30 1g63 n LEU 64 Cb 0.14 -0.46 -0.03 0.00 -0.11 0.00 0.00 43.42 42.96 1g63 n LEU 64 CO 0.15 1.80 0.86 -0.76 -1.51 0.00 0.00 177.39 177.93 1g63 s LEU 65 N -3.48 4.49 -0.90 2.23 1.43 -1.23 -4.96 118.68 116.25 1g63 s LEU 65 Ca 0.48 2.43 -0.24 0.00 -1.03 0.00 0.00 54.13 55.78 1g63 s LEU 65 Cb 0.41 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 43.03 1g63 s LEU 65 CO 0.00 -0.32 1.32 0.21 0.23 0.00 0.00 176.35 177.80 1g63 s ASN 66 N -0.74 6.40 0.59 2.29 3.84 -1.26 -4.88 114.94 121.17 1g63 s ASN 66 Ca 0.47 -1.22 0.32 0.00 0.21 0.00 0.00 52.86 52.64 1g63 s ASN 66 Cb -0.35 -2.53 1.84 0.00 -0.55 0.00 0.00 41.25 39.66 1g63 s ASN 66 CO 0.45 -1.54 2.23 1.12 -2.79 0.00 0.00 177.10 176.58 1g63 h HIS 67 N 9.72 0.00 -0.03 0.43 2.07 -1.97 -1.95 115.15 123.42 1g63 h HIS 67 Ca 0.03 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1g63 h HIS 67 Cb 1.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.01 1g63 h HIS 67 CO 1.20 0.03 0.00 0.82 -3.07 0.00 0.00 177.93 176.91 1g63 h ILE 68 N 0.00 1.25 -0.85 6.12 5.03 -1.97 -1.97 117.51 125.13 1g63 h ILE 68 Ca -0.00 -0.75 -0.01 0.00 -0.12 0.00 0.00 64.86 63.99 1g63 h ILE 68 Cb 0.08 1.70 -0.04 0.00 -3.03 0.00 0.00 36.82 35.53 1g63 h ILE 68 CO 0.00 0.20 0.50 0.78 -0.68 0.00 0.00 178.15 178.95 1g63 h ASN 69 N -0.25 1.03 -0.57 1.72 -0.26 -1.85 -1.89 115.58 113.50 1g63 h ASN 69 Ca 0.01 -0.07 0.06 0.00 -0.56 0.00 0.00 56.30 55.74 1g63 h ASN 69 Cb 0.32 -0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 37.27 1g63 h ASN 69 CO 0.00 0.80 0.28 0.40 -1.06 0.00 0.00 177.43 177.85 1g63 h ILE 70 N 1.17 0.91 -0.01 2.81 2.04 -1.12 -0.95 117.51 122.36 1g63 h ILE 70 Ca 0.30 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 1g63 h ILE 70 Cb -0.03 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1g63 h ILE 70 CO -0.05 0.10 -0.43 0.58 0.00 0.00 0.00 178.15 178.34 1g63 h VAL 71 N 0.52 1.31 0.00 1.67 2.07 -0.96 -3.08 116.25 117.79 1g63 h VAL 71 Ca 0.26 -1.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 1g63 h VAL 71 Cb 0.21 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1g63 h VAL 71 CO -0.20 0.43 -0.56 -0.33 0.02 0.00 0.00 177.57 176.93 1g63 h GLU 72 N 0.02 0.00 0.00 1.57 5.08 -0.46 -3.15 114.58 117.63 1g63 h GLU 72 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g63 h GLU 72 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1g63 h GLU 72 CO 0.06 0.56 0.00 -1.71 -1.00 0.00 0.00 179.01 176.92 1g63 n ASN 73 N -3.35 0.00 -4.26 1.42 4.05 -0.47 -4.80 115.26 107.84 1g63 n ASN 73 Ca 0.01 -0.20 -0.26 0.00 0.45 0.00 0.00 54.58 54.58 1g63 n ASN 73 Cb 0.70 -0.26 -0.14 0.00 1.23 0.00 0.00 39.78 41.32 1g63 n ASN 73 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1g63 s HIS 74 N -2.52 1.86 -0.29 1.20 3.76 -1.19 -4.58 115.29 113.54 1g63 s HIS 74 Ca 0.29 -0.38 0.22 0.00 -0.15 0.00 0.00 55.06 55.04 1g63 s HIS 74 Cb 0.19 -1.10 -0.29 0.00 1.11 0.00 0.00 32.58 32.49 1g63 s HIS 74 CO 0.43 0.11 0.61 0.39 -0.85 0.00 0.00 174.74 175.43 1g63 n GLU 75 N 1.77 0.48 -3.91 1.40 1.02 -0.51 -4.91 120.64 115.99 1g63 n GLU 75 Ca -0.17 -0.14 -0.19 0.00 -0.02 0.00 0.00 57.16 56.64 1g63 n GLU 75 Cb 0.53 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.26 1g63 n GLU 75 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1g63 s TYR 76 N -3.38 0.41 -0.20 -0.32 1.51 -1.19 -4.86 117.35 109.32 1g63 s TYR 76 Ca -0.04 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1g63 s TYR 76 Cb 0.14 -0.52 0.04 0.00 -0.11 0.00 0.00 41.96 41.51 1g63 s TYR 76 CO 0.89 -0.18 -0.14 0.42 -1.11 0.00 0.00 175.55 175.44 1g63 s ILE 77 N 1.27 1.86 -0.10 2.71 1.01 0.77 -0.80 121.20 127.93 1g63 s ILE 77 Ca -0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1g63 s ILE 77 Cb -0.13 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1g63 s ILE 77 CO -0.02 0.26 -0.04 -0.76 0.00 0.00 0.00 174.94 174.38 1g63 s LEU 78 N 1.31 3.29 -0.42 2.97 1.02 0.06 0.03 118.68 126.94 1g63 s LEU 78 Ca -0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 54.13 54.05 1g63 s LEU 78 Cb -0.16 -1.75 0.09 0.00 0.02 0.00 0.00 46.19 44.40 1g63 s LEU 78 CO -0.09 0.31 0.26 0.54 0.02 0.00 0.00 176.35 177.39 1g63 s VAL 79 N -0.48 4.04 -0.14 -1.59 0.11 -0.31 0.14 120.40 122.16 1g63 s VAL 79 Ca 0.08 -1.57 -0.05 0.00 -2.93 0.00 0.00 61.98 57.51 1g63 s VAL 79 Cb -0.12 -3.54 0.07 0.00 -1.53 0.00 0.00 36.38 31.26 1g63 s VAL 79 CO 0.02 -0.57 0.28 -0.22 -3.33 0.00 0.00 175.10 171.29 1g63 s LEU 80 N 1.36 -0.35 0.61 2.54 2.96 -0.75 -1.47 118.68 123.59 1g63 s LEU 80 Ca 0.04 0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 54.41 1g63 s LEU 80 Cb -0.23 0.78 -0.03 0.00 0.50 0.00 0.00 46.19 47.21 1g63 s LEU 80 CO 0.00 -0.24 1.04 -2.84 -1.32 0.00 0.00 176.35 172.99 1g63 s PRO 81 N 2.45 3.34 -0.27 0.98 0.02 -1.26 -4.02 135.00 136.23 1g63 s PRO 81 Ca 0.01 1.05 -0.07 0.00 0.02 0.00 0.00 61.00 62.01 1g63 s PRO 81 Cb -0.12 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 1g63 s PRO 81 CO -0.09 -0.78 0.08 0.00 -0.33 0.00 0.00 177.00 175.88 1g63 s ALA 82 N -2.73 3.13 0.65 -1.55 0.00 -0.17 -2.48 121.76 118.62 1g63 s ALA 82 Ca 0.60 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1g63 s ALA 82 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 1g63 s ALA 82 CO 0.43 -0.71 1.04 -1.54 0.00 0.00 0.00 175.76 174.98 1g63 s SER 83 N 1.57 5.78 0.08 0.00 1.04 -1.26 -1.37 113.70 119.55 1g63 s SER 83 Ca 0.05 1.18 -0.29 0.00 0.48 0.00 0.00 55.95 57.38 1g63 s SER 83 Cb -0.16 -2.12 -0.15 0.00 0.10 0.00 0.00 66.02 63.69 1g63 s SER 83 CO 0.03 -1.11 1.67 0.00 0.98 0.00 0.00 173.24 174.81 1g63 h ALA 84 N -0.44 -0.52 -0.65 5.32 0.00 -1.98 -1.83 119.26 119.16 1g63 h ALA 84 Ca -0.45 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.50 1g63 h ALA 84 Cb 1.23 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 1g63 h ALA 84 CO 0.63 -0.80 -0.03 -0.97 0.00 0.00 0.00 179.25 178.08 1g63 h ASN 85 N -0.53 -0.34 -0.13 0.00 -0.73 -1.99 0.34 115.58 112.19 1g63 h ASN 85 Ca -0.04 0.17 -0.16 0.00 1.87 0.00 0.00 56.30 58.14 1g63 h ASN 85 Cb 0.44 0.31 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 1g63 h ASN 85 CO 0.04 -0.14 -0.47 0.74 -0.37 0.00 0.00 177.43 177.23 1g63 h THR 86 N 0.09 1.30 -0.51 -3.57 2.02 -1.94 -0.42 112.91 109.88 1g63 h THR 86 Ca 0.34 -1.66 0.06 0.00 0.77 0.00 0.00 66.41 65.91 1g63 h THR 86 Cb 0.55 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 1g63 h THR 86 CO -0.58 0.53 0.23 0.40 0.37 0.00 0.00 175.52 176.47 1g63 h ILE 87 N 0.55 0.89 -0.25 3.11 2.04 -0.29 -0.21 117.51 123.35 1g63 h ILE 87 Ca 0.03 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1g63 h ILE 87 Cb 1.02 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1g63 h ILE 87 CO 0.10 0.08 -0.44 0.78 0.00 0.00 0.00 178.15 178.66 1g63 h ASN 88 N 0.44 0.69 0.11 1.72 -0.26 -0.81 -2.31 115.58 115.16 1g63 h ASN 88 Ca 0.24 -0.33 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1g63 h ASN 88 Cb 0.20 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1g63 h ASN 88 CO -0.20 1.03 -0.05 0.11 -1.06 0.00 0.00 177.43 177.26 1g63 h LYS 89 N 0.51 -0.15 -0.42 0.81 1.57 -0.50 -1.94 116.57 116.47 1g63 h LYS 89 Ca 0.03 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1g63 h LYS 89 Cb 0.98 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.26 1g63 h LYS 89 CO 0.09 0.01 0.08 0.82 -0.57 0.00 0.00 179.45 179.89 1g63 h ILE 90 N -0.28 0.78 -0.35 1.86 2.04 -1.05 0.19 117.51 120.70 1g63 h ILE 90 Ca -0.02 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1g63 h ILE 90 Cb 0.23 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1g63 h ILE 90 CO 0.03 0.04 0.24 0.00 0.00 0.00 0.00 178.15 178.45 1g63 h ALA 91 N 1.32 1.96 -0.70 1.87 0.00 -1.22 -0.92 119.26 121.57 1g63 h ALA 91 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1g63 h ALA 91 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1g63 h ALA 91 CO -0.26 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.05 1g63 n ASN 92 N -4.48 3.72 -0.28 0.00 4.13 -0.72 -4.94 115.26 112.70 1g63 n ASN 92 Ca 0.04 -2.00 -0.04 0.00 1.68 0.00 0.00 54.58 54.26 1g63 n ASN 92 Cb 0.21 -0.47 -0.02 0.00 -1.54 0.00 0.00 39.78 37.97 1g63 n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g63 n GLY 93 N 1.60 0.59 3.67 7.41 0.00 -0.35 -4.98 105.19 113.13 1g63 n GLY 93 Ca 0.23 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1g63 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g63 s ILE 94 N -1.84 4.26 -0.46 -0.61 -1.09 0.54 -4.97 121.20 117.02 1g63 s ILE 94 Ca 0.00 1.55 0.04 0.00 -2.23 0.00 0.00 60.65 60.02 1g63 s ILE 94 Cb 0.00 -4.00 0.17 0.00 -1.58 0.00 0.00 42.46 37.05 1g63 s ILE 94 CO 0.00 -0.07 0.38 0.00 -1.23 0.00 0.00 174.94 174.02 1g63 n ASP 96 N 2.60 3.97 -4.04 0.00 5.68 -1.26 -4.60 116.55 118.90 1g63 n ASP 96 Ca 0.28 -2.20 -0.10 0.00 -0.50 0.00 0.00 54.79 52.27 1g63 n ASP 96 Cb 0.46 -0.46 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 1g63 n ASP 96 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1g63 s ASN 97 N -1.03 0.11 0.20 -1.12 2.20 -1.26 -5.06 114.94 108.98 1g63 s ASN 97 Ca 0.43 -1.02 -0.11 0.00 -0.94 0.00 0.00 52.86 51.22 1g63 s ASN 97 Cb 0.25 0.41 0.22 0.00 -2.00 0.00 0.00 41.25 40.14 1g63 s ASN 97 CO 0.25 -0.87 1.76 0.25 -2.94 0.00 0.00 177.10 175.55 1g63 h LEU 98 N 2.60 0.26 0.08 3.54 5.85 -1.93 -1.84 115.31 123.87 1g63 h LEU 98 Ca -0.32 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1g63 h LEU 98 Cb 1.23 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1g63 h LEU 98 CO 0.50 0.17 -0.14 0.25 -0.34 0.00 0.00 178.44 178.88 1g63 h LEU 99 N 0.43 -0.38 -1.46 2.25 6.46 -1.96 -0.41 115.31 120.25 1g63 h LEU 99 Ca 0.27 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1g63 h LEU 99 Cb 0.29 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1g63 h LEU 99 CO -0.25 -0.20 -0.04 0.71 -0.62 0.00 0.00 178.44 178.03 1g63 h THR 100 N -0.27 0.12 -0.12 1.05 1.35 -1.86 -0.68 112.91 112.50 1g63 h THR 100 Ca 0.02 -0.61 -0.19 0.00 -0.55 0.00 0.00 66.41 65.08 1g63 h THR 100 Cb 0.29 1.54 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1g63 h THR 100 CO -0.08 0.04 -0.68 0.74 -0.25 0.00 0.00 175.52 175.29 1g63 h THR 101 N 0.00 1.32 -0.87 6.82 2.02 -0.78 -1.60 112.91 119.82 1g63 h THR 101 Ca -0.00 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.21 1g63 h THR 101 Cb 0.53 2.12 -0.04 0.00 -1.74 0.00 0.00 68.15 69.03 1g63 h THR 101 CO 0.01 0.60 0.43 0.58 0.37 0.00 0.00 175.52 177.51 1g63 h VAL 102 N 0.33 1.26 -0.50 3.16 2.07 -0.52 -2.36 116.25 119.69 1g63 h VAL 102 Ca -0.05 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1g63 h VAL 102 Cb 1.32 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1g63 h VAL 102 CO 0.14 0.31 -0.16 0.00 0.02 0.00 0.00 177.57 177.88 1g63 h LEU 104 N 0.85 0.87 -0.07 0.00 5.85 -1.02 -2.67 115.31 119.11 1g63 h LEU 104 Ca 0.12 -0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.53 1g63 h LEU 104 Cb 0.72 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1g63 h LEU 104 CO 0.06 0.69 -1.00 0.74 -0.34 0.00 0.00 178.44 178.59 1g63 h THR 105 N 0.98 1.33 -1.02 1.05 2.02 -1.11 -3.33 112.91 112.83 1g63 h THR 105 Ca 0.25 -2.32 -0.65 0.00 0.77 0.00 0.00 66.41 64.46 1g63 h THR 105 Cb 0.02 2.39 -0.33 0.00 -1.74 0.00 0.00 68.15 68.48 1g63 h THR 105 CO -0.04 0.71 0.39 0.61 0.37 0.00 0.00 175.52 177.56 1g63 n GLY 106 N 1.02 6.00 0.27 2.16 0.00 -0.07 -4.70 105.19 109.86 1g63 n GLY 106 Ca -0.09 -2.43 0.11 0.00 0.00 0.00 0.00 46.02 43.61 1g63 n GLY 106 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1g63 h TYR 107 N 2.14 0.00 0.00 1.61 -0.00 -1.60 -2.48 116.97 116.64 1g63 h TYR 107 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.26 1g63 h TYR 107 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.68 1g63 h TYR 107 CO 1.24 0.06 0.00 1.04 -0.00 0.00 0.00 178.16 180.51 1g63 n GLN 108 N -4.04 0.17 -1.23 0.10 6.02 -1.26 -3.16 117.38 113.98 1g63 n GLN 108 Ca -0.03 0.28 0.03 0.00 -0.01 0.00 0.00 57.00 57.28 1g63 n GLN 108 Cb 0.15 -1.76 0.10 0.00 1.02 0.00 0.00 30.24 29.75 1g63 n GLN 108 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1g63 n LYS 109 N -2.08 0.96 -3.89 -1.09 2.85 -0.95 -5.06 118.16 108.89 1g63 n LYS 109 Ca 0.04 -2.75 -0.36 0.00 -1.05 0.00 0.00 58.31 54.19 1g63 n LYS 109 Cb 0.31 -0.89 -0.07 0.00 -0.65 0.00 0.00 35.03 33.72 1g63 n LYS 109 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1g63 s LEU 110 N -1.77 4.23 -0.11 -5.58 2.96 -1.09 -0.16 118.68 117.15 1g63 s LEU 110 Ca 0.36 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1g63 s LEU 110 Cb 0.38 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 45.05 1g63 s LEU 110 CO -0.11 0.33 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.85 1g63 s PHE 111 N -0.55 1.25 -0.23 5.38 0.40 0.10 -2.86 117.98 121.48 1g63 s PHE 111 Ca 0.12 -0.63 -0.10 0.00 -0.60 0.00 0.00 56.93 55.72 1g63 s PHE 111 Cb -0.12 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 1g63 s PHE 111 CO 0.02 -0.48 0.13 0.42 0.70 0.00 0.00 175.22 176.01 1g63 s ILE 112 N 1.78 5.18 -0.74 0.64 1.01 0.83 -1.16 121.20 128.75 1g63 s ILE 112 Ca 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 1g63 s ILE 112 Cb -0.13 -3.40 0.19 0.00 0.01 0.00 0.00 42.46 39.12 1g63 s ILE 112 CO -0.07 0.37 0.58 -0.36 0.00 0.00 0.00 174.94 175.46 1g63 s PHE 113 N 0.93 3.61 0.26 3.97 0.40 -0.54 -1.05 117.98 125.57 1g63 s PHE 113 Ca 0.07 -2.92 -0.30 0.00 -0.60 0.00 0.00 56.93 53.17 1g63 s PHE 113 Cb -0.13 -3.16 -0.13 0.00 0.51 0.00 0.00 43.02 40.11 1g63 s PHE 113 CO 0.03 -0.76 1.31 -2.30 0.70 0.00 0.00 175.22 174.20 1g63 n PRO 114 N 2.84 1.89 -3.40 0.24 -0.02 -1.26 -1.00 135.00 134.28 1g63 n PRO 114 Ca 0.15 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 62.16 1g63 n PRO 114 Cb 0.37 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1g63 n PRO 114 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1g63 s ASN 115 N 0.03 0.95 0.31 2.55 3.84 -0.47 -4.76 114.94 117.39 1g63 s ASN 115 Ca 0.65 -0.20 -0.18 0.00 0.21 0.00 0.00 52.86 53.34 1g63 s ASN 115 Cb -0.66 0.75 0.03 0.00 -0.55 0.00 0.00 41.25 40.82 1g63 s ASN 115 CO 0.54 -0.33 0.71 0.00 -2.79 0.00 0.00 177.10 175.22 1g63 s MET 116 N 2.43 1.92 0.52 0.43 0.23 -1.26 -4.59 119.30 118.99 1g63 s MET 116 Ca 0.10 -1.20 -0.21 0.00 -1.03 0.00 0.00 55.69 53.35 1g63 s MET 116 Cb -0.15 0.59 -0.06 0.00 -1.53 0.00 0.00 34.83 33.69 1g63 s MET 116 CO -0.20 -0.88 1.23 1.21 -2.03 0.00 0.00 175.02 174.35 1g63 s ASN 117 N -2.99 5.63 0.54 -1.18 3.84 -1.26 -4.83 114.94 114.68 1g63 s ASN 117 Ca 0.14 2.44 0.26 0.00 0.21 0.00 0.00 52.86 55.91 1g63 s ASN 117 Cb -0.05 -2.61 1.42 0.00 -0.55 0.00 0.00 41.25 39.46 1g63 s ASN 117 CO 0.09 -1.30 2.00 -0.29 -2.79 0.00 0.00 177.10 174.81 1g63 h ILE 118 N 1.44 0.69 -0.21 -5.21 6.09 -1.89 -2.14 117.51 116.29 1g63 h ILE 118 Ca -0.50 0.00 -0.17 0.00 -1.37 0.00 0.00 64.86 62.82 1g63 h ILE 118 Cb 1.28 0.74 -0.00 0.00 0.47 0.00 0.00 36.82 39.30 1g63 h ILE 118 CO 0.58 0.00 -0.56 -0.09 -3.07 0.00 0.00 178.15 175.00 1g63 h ARG 119 N 0.00 0.64 -0.25 2.19 2.43 -1.95 -3.06 114.38 114.38 1g63 h ARG 119 Ca 0.24 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1g63 h ARG 119 Cb 0.98 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1g63 h ARG 119 CO -0.00 1.03 -0.17 0.52 -1.51 0.00 0.00 179.97 179.83 1g63 h MET 120 N 0.48 0.44 0.00 0.20 2.86 -1.76 -2.91 114.93 114.25 1g63 h MET 120 Ca 0.01 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1g63 h MET 120 Cb 1.13 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1g63 h MET 120 CO 0.11 0.60 -0.02 2.35 1.06 0.00 0.00 176.91 181.01 1g63 h TRP 121 N 0.40 0.00 -0.09 -0.22 2.91 -1.41 -2.10 115.95 115.44 1g63 h TRP 121 Ca 0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1g63 h TRP 121 Cb 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.19 1g63 h TRP 121 CO 0.02 0.02 0.00 0.41 -1.03 0.00 0.00 178.44 177.86 1g63 n GLY 122 N -1.24 0.08 3.71 2.65 0.00 -1.10 -4.68 105.19 104.61 1g63 n GLY 122 Ca -0.03 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1g63 n GLY 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1g63 s ASN 123 N -1.77 6.44 0.19 1.61 3.84 -0.79 -4.91 114.94 119.56 1g63 s ASN 123 Ca 0.35 2.77 -0.13 0.00 0.21 0.00 0.00 52.86 56.06 1g63 s ASN 123 Cb 0.19 -2.59 0.21 0.00 -0.55 0.00 0.00 41.25 38.51 1g63 s ASN 123 CO 0.30 -0.94 1.67 -0.65 -2.79 0.00 0.00 177.10 174.69 1g63 h PRO 124 N 7.21 0.09 -0.35 0.43 0.11 -1.91 -2.00 132.00 135.59 1g63 h PRO 124 Ca -0.43 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 1g63 h PRO 124 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1g63 h PRO 124 CO 0.95 0.06 -0.17 0.74 -0.21 0.00 0.00 178.00 179.37 1g63 h PHE 125 N 0.10 0.85 -0.06 0.65 -1.00 -1.98 0.46 116.94 115.96 1g63 h PHE 125 Ca 0.27 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.87 1g63 h PHE 125 Cb 0.42 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1g63 h PHE 125 CO -0.35 0.93 -0.10 1.25 -1.61 0.00 0.00 178.31 178.43 1g63 h LEU 126 N 0.53 -0.31 -0.42 1.54 5.85 -1.85 0.87 115.31 121.51 1g63 h LEU 126 Ca 0.08 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1g63 h LEU 126 Cb 0.71 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1g63 h LEU 126 CO 0.05 -0.14 0.14 1.56 -0.34 0.00 0.00 178.44 179.71 1g63 h GLN 127 N -0.15 0.65 -0.52 1.25 1.08 -1.29 -1.22 115.11 114.91 1g63 h GLN 127 Ca 0.06 -0.13 0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1g63 h GLN 127 Cb 0.23 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.49 1g63 h GLN 127 CO -0.15 0.63 0.11 -0.22 -0.95 0.00 0.00 178.83 178.26 1g63 h LYS 128 N 0.54 0.24 -0.25 1.46 3.64 -0.58 -1.06 116.57 120.57 1g63 h LYS 128 Ca 0.14 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1g63 h LYS 128 Cb 0.24 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1g63 h LYS 128 CO -0.01 0.16 -0.11 -0.91 -2.27 0.00 0.00 179.45 176.32 1g63 h ASN 129 N 0.25 0.39 0.02 4.20 -0.26 -0.47 -2.18 115.58 117.53 1g63 h ASN 129 Ca 0.26 -0.09 -0.09 0.00 -0.56 0.00 0.00 56.30 55.82 1g63 h ASN 129 Cb 0.36 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1g63 h ASN 129 CO -0.34 0.53 -0.28 0.40 -1.06 0.00 0.00 177.43 176.69 1g63 h ILE 130 N 0.38 1.27 -0.10 2.81 2.04 -0.02 0.31 117.51 124.20 1g63 h ILE 130 Ca 0.07 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1g63 h ILE 130 Cb 0.43 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1g63 h ILE 130 CO 0.02 0.40 0.03 0.44 0.00 0.00 0.00 178.15 179.04 1g63 h ASP 131 N 0.36 0.14 -0.36 1.72 3.45 -0.70 -1.05 116.42 119.98 1g63 h ASP 131 Ca 0.05 -0.20 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 1g63 h ASP 131 Cb 0.68 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.39 1g63 h ASP 131 CO 0.05 0.31 0.22 0.25 -1.57 0.00 0.00 179.24 178.50 1g63 h LEU 132 N -0.03 0.45 -0.07 1.55 5.85 -0.98 0.27 115.31 122.36 1g63 h LEU 132 Ca 0.03 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1g63 h LEU 132 Cb 0.22 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1g63 h LEU 132 CO -0.00 0.36 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.36 1g63 h LEU 133 N 0.52 0.14 -1.15 2.25 3.38 -0.60 -3.05 115.31 116.80 1g63 h LEU 133 Ca 0.14 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1g63 h LEU 133 Cb -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1g63 h LEU 133 CO -0.02 0.51 0.15 0.11 0.09 0.00 0.00 178.44 179.28 1g63 h LYS 134 N -0.23 0.75 0.00 1.13 1.57 -0.71 -1.96 116.57 117.12 1g63 h LYS 134 Ca 0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1g63 h LYS 134 Cb 0.45 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1g63 h LYS 134 CO 0.01 0.66 0.00 0.09 -0.57 0.00 0.00 179.45 179.63 1g63 n ASN 135 N -4.31 0.00 -1.43 0.86 5.03 0.04 -3.36 115.26 112.09 1g63 n ASN 135 Ca 0.04 -1.56 0.04 0.00 0.87 0.00 0.00 54.58 53.96 1g63 n ASN 135 Cb 0.19 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.01 1g63 n ASN 135 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1g63 n ASN 136 N -0.62 1.24 0.00 6.41 3.02 -0.79 -5.01 115.26 119.50 1g63 n ASN 136 Ca 0.05 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1g63 n ASN 136 Cb 0.02 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1g63 n ASN 136 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g63 n ASP 137 N 0.11 -2.66 -4.63 6.41 8.00 -1.21 -5.00 116.55 117.56 1g63 n ASP 137 Ca 0.09 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.19 1g63 n ASP 137 Cb 1.04 -0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 41.20 1g63 n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g63 s VAL 138 N -2.23 5.06 -0.40 2.53 1.01 -0.87 -4.81 120.40 120.69 1g63 s VAL 138 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 1g63 s VAL 138 Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1g63 s VAL 138 CO 0.00 0.10 1.43 -0.54 0.00 0.00 0.00 175.10 176.09 1g63 s LYS 139 N 2.17 3.58 -0.23 2.72 3.01 -1.13 -3.94 119.74 125.92 1g63 s LYS 139 Ca 0.23 0.99 -0.05 0.00 -1.01 0.00 0.00 55.97 56.13 1g63 s LYS 139 Cb -0.16 -4.03 -0.02 0.00 -1.01 0.00 0.00 37.83 32.62 1g63 s LYS 139 CO 0.09 -1.56 0.00 0.08 0.51 0.00 0.00 175.35 174.47 1g63 s VAL 140 N 5.47 3.75 0.46 3.17 1.01 -1.26 -0.12 120.40 132.89 1g63 s VAL 140 Ca 0.62 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1g63 s VAL 140 Cb -0.14 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 1g63 s VAL 140 CO 0.32 0.39 1.00 -0.47 0.00 0.00 0.00 175.10 176.34 1g63 s TYR 141 N 1.48 3.15 -0.49 5.22 6.14 -0.21 -4.96 117.35 127.68 1g63 s TYR 141 Ca 0.06 1.59 -0.21 0.00 0.64 0.00 0.00 57.07 59.15 1g63 s TYR 141 Cb -0.15 -2.96 0.04 0.00 0.42 0.00 0.00 41.96 39.32 1g63 s TYR 141 CO -0.00 -0.49 0.69 -1.12 0.64 0.00 0.00 175.55 175.26 1g63 s SER 142 N -2.11 6.28 0.16 4.32 0.01 -1.26 -4.61 113.70 116.49 1g63 s SER 142 Ca 0.65 -0.60 -0.33 0.00 1.31 0.00 0.00 55.95 56.98 1g63 s SER 142 Cb -0.13 -2.33 -0.16 0.00 0.21 0.00 0.00 66.02 63.61 1g63 s SER 142 CO 0.17 -0.91 1.01 -2.65 0.41 0.00 0.00 173.24 171.27 1g63 n PRO 143 N 6.44 0.78 -2.62 12.44 -0.02 -1.26 -4.94 135.00 145.81 1g63 n PRO 143 Ca -0.03 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 1g63 n PRO 143 Cb 0.47 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1g63 n PRO 143 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1g63 s ASP 144 N -0.25 7.43 0.21 2.55 1.01 -1.26 -4.95 116.67 121.41 1g63 s ASP 144 Ca 0.73 2.02 0.05 0.00 0.71 0.00 0.00 52.55 56.07 1g63 s ASP 144 Cb -0.92 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 40.36 1g63 s ASP 144 CO 0.54 -0.06 -0.08 -0.04 0.21 0.00 0.00 175.17 175.74 1g63 s MET 145 N -0.74 1.30 -0.25 8.23 -1.94 -1.26 -0.69 119.30 123.95 1g63 s MET 145 Ca 0.45 -1.61 0.05 0.00 -1.71 0.00 0.00 55.69 52.87 1g63 s MET 145 Cb -0.28 -0.85 0.17 0.00 2.01 0.00 0.00 34.83 35.89 1g63 s MET 145 CO 0.34 0.05 1.06 0.27 -0.01 0.00 0.00 175.02 176.73 1g63 n ASN 146 N -0.38 -1.04 -4.44 3.03 6.94 -1.26 -4.94 115.26 113.17 1g63 n ASN 146 Ca -0.07 -1.74 -0.44 0.00 -0.02 0.00 0.00 54.58 52.31 1g63 n ASN 146 Cb 0.62 0.67 -0.09 0.00 -2.36 0.00 0.00 39.78 38.62 1g63 n ASN 146 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1g63 s ASN 158 N -0.51 6.12 0.00 0.53 2.47 -1.26 -4.86 114.94 117.44 1g63 s ASN 158 Ca 0.07 -1.05 0.00 0.00 0.42 0.00 0.00 52.86 52.30 1g63 s ASN 158 Cb 0.19 -2.17 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 1g63 s ASN 158 CO -0.05 -0.52 0.00 0.59 -3.72 0.00 0.00 177.10 173.40 1g63 n ASN 159 N 5.18 0.00 -3.45 -4.21 4.13 -1.26 -4.87 115.26 110.78 1g63 n ASN 159 Ca -0.11 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.15 1g63 n ASN 159 Cb 0.46 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.65 1g63 n ASN 159 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1g63 s ILE 160 N 2.69 -0.28 0.40 2.41 2.07 -1.26 -4.58 121.20 122.65 1g63 s ILE 160 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1g63 s ILE 160 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 1g63 s ILE 160 CO 0.00 0.00 0.08 0.35 -1.91 0.00 0.00 174.94 173.46 1g63 n THR 161 N 4.44 0.00 -2.45 4.00 -2.24 0.14 -4.88 114.28 113.28 1g63 n THR 161 Ca -0.12 -1.80 -0.31 0.00 -2.27 0.00 0.00 64.05 59.56 1g63 n THR 161 Cb 0.54 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1g63 n THR 161 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1g63 s MET 162 N -3.49 3.78 -0.01 -0.78 -1.94 -1.26 -4.16 119.30 111.43 1g63 s MET 162 Ca 0.06 0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 54.43 1g63 s MET 162 Cb -0.01 -2.23 -0.07 0.00 2.01 0.00 0.00 34.83 34.53 1g63 s MET 162 CO 0.04 -0.25 1.81 -2.14 -0.01 0.00 0.00 175.02 174.47 1g63 s PRO 163 N -4.31 4.15 0.66 2.03 0.02 -1.26 -4.91 135.00 131.39 1g63 s PRO 163 Ca 0.54 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.79 1g63 s PRO 163 Cb -0.10 -4.08 -0.00 0.00 0.02 0.00 0.00 34.50 30.34 1g63 s PRO 163 CO 0.38 -0.91 1.24 1.21 -0.33 0.00 0.00 177.00 178.58 1g63 s ASN 164 N 3.92 4.63 0.23 2.53 2.47 -1.26 -4.79 114.94 122.67 1g63 s ASN 164 Ca 0.81 2.46 -0.07 0.00 0.42 0.00 0.00 52.86 56.48 1g63 s ASN 164 Cb -0.38 -2.60 0.28 0.00 -1.45 0.00 0.00 41.25 37.10 1g63 s ASN 164 CO 0.35 -1.98 1.86 -0.29 -3.72 0.00 0.00 177.10 173.32 1g63 h ILE 165 N 0.34 1.08 -0.18 -5.21 -0.00 -2.00 -2.00 117.51 109.54 1g63 h ILE 165 Ca -0.50 -0.34 -0.01 0.00 -0.00 0.00 0.00 64.86 64.02 1g63 h ILE 165 Cb 1.31 0.02 -0.01 0.00 -0.00 0.00 0.00 36.82 38.14 1g63 h ILE 165 CO 0.52 0.18 0.07 -0.08 -0.00 0.00 0.00 178.15 178.84 1g63 h GLU 166 N 0.98 0.27 -0.49 2.19 4.81 -2.00 -2.66 114.58 117.67 1g63 h GLU 166 Ca 0.35 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 1g63 h GLU 166 Cb 0.09 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.33 1g63 h GLU 166 CO -0.14 0.34 -0.24 -0.91 -0.73 0.00 0.00 179.01 177.33 1g63 h ASN 167 N 0.13 -0.82 -0.67 1.04 -0.26 -1.78 -0.61 115.58 112.62 1g63 h ASN 167 Ca 0.06 0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.94 1g63 h ASN 167 Cb 0.18 0.44 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 1g63 h ASN 167 CO -0.00 -0.26 0.28 1.62 -1.06 0.00 0.00 177.43 178.01 1g63 h VAL 168 N -0.13 1.23 -0.53 2.81 3.04 -1.33 -1.86 116.25 119.49 1g63 h VAL 168 Ca 0.22 -0.73 -0.03 0.00 -1.01 0.00 0.00 66.70 65.15 1g63 h VAL 168 Cb 0.48 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 1g63 h VAL 168 CO -0.57 0.29 0.19 -0.07 -1.01 0.00 0.00 177.57 176.41 1g63 h LEU 169 N 0.99 0.74 0.10 3.16 4.07 -0.92 -1.28 115.31 122.18 1g63 h LEU 169 Ca 0.23 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 58.02 1g63 h LEU 169 Cb 0.18 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1g63 h LEU 169 CO -0.02 0.73 -0.16 0.78 -1.08 0.00 0.00 178.44 178.69 1g63 h ASN 170 N 0.72 -0.43 -0.31 -0.43 -0.26 -0.79 0.23 115.58 114.31 1g63 h ASN 170 Ca 0.17 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.95 1g63 h ASN 170 Cb 0.23 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1g63 h ASN 170 CO -0.01 -0.23 0.15 0.15 -1.06 0.00 0.00 177.43 176.43 1g63 h PHE 171 N -0.31 0.50 0.15 1.19 3.57 -1.24 -0.01 116.94 120.79 1g63 h PHE 171 Ca 0.02 -0.01 -0.36 0.00 3.53 0.00 0.00 57.97 61.15 1g63 h PHE 171 Cb 0.32 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1g63 h PHE 171 CO -0.16 0.40 -1.90 0.28 -2.23 0.00 0.00 178.31 174.70 1g63 h VAL 172 N 0.51 0.75 0.00 1.41 2.07 -0.95 -3.41 116.25 116.64 1g63 h VAL 172 Ca 0.13 -2.41 -0.14 0.00 0.82 0.00 0.00 66.70 65.09 1g63 h VAL 172 Cb 0.10 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1g63 h VAL 172 CO -0.01 0.88 -0.78 -0.07 0.02 0.00 0.00 177.57 177.61 1g63 h LEU 173 N 0.09 0.01 -0.28 2.57 -0.00 -0.57 -3.51 115.31 113.61 1g63 h LEU 173 Ca -0.39 -0.71 0.00 0.00 -0.00 0.00 0.00 57.88 56.78 1g63 h LEU 173 Cb 2.06 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.72 1g63 h LEU 173 CO 0.12 1.31 0.00 -3.20 -0.00 0.00 0.00 178.44 176.67