#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h62 s SER 13 N 0.00 5.76 -0.24 4.04 1.04 -1.26 -1.22 113.70 121.82 2h62 s SER 13 Ca 0.00 0.82 -0.40 0.00 0.48 0.00 0.00 55.95 56.86 2h62 s SER 13 Cb 0.00 -1.88 -0.16 0.00 0.10 0.00 0.00 66.02 64.09 2h62 s SER 13 CO 0.00 -0.97 1.72 0.00 0.98 0.00 0.00 173.24 174.97 2h62 s LYS 15 N 3.33 1.74 0.09 0.00 -2.85 -0.55 -4.93 119.74 116.57 2h62 s LYS 15 Ca 0.97 -1.02 -0.27 0.00 -1.00 0.00 0.00 55.97 54.66 2h62 s LYS 15 Cb -1.04 0.59 -0.06 0.00 -2.06 0.00 0.00 37.83 35.25 2h62 s LYS 15 CO 0.64 -0.79 0.83 0.50 0.10 0.00 0.00 175.35 176.63 2h62 s ARG 16 N -3.93 4.58 0.29 1.78 3.52 -1.26 -1.69 118.95 122.24 2h62 s ARG 16 Ca 0.12 1.20 0.11 0.00 -0.13 0.00 0.00 55.73 57.04 2h62 s ARG 16 Cb -0.05 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 2h62 s ARG 16 CO 0.07 0.32 -0.17 -1.01 -0.81 0.00 0.00 175.30 173.70 2h62 s HIS 17 N -0.25 2.34 0.51 5.12 3.76 0.12 -4.96 115.29 121.92 2h62 s HIS 17 Ca 0.40 -0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 54.76 2h62 s HIS 17 Cb -0.22 -1.08 -0.07 0.00 1.11 0.00 0.00 32.58 32.33 2h62 s HIS 17 CO 0.26 0.69 1.11 -1.25 -0.85 0.00 0.00 174.74 174.69 2h62 s PRO 18 N -3.54 3.57 -0.29 8.40 0.04 -1.26 -1.93 135.00 139.99 2h62 s PRO 18 Ca 0.31 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 2h62 s PRO 18 Cb -0.04 -2.12 0.19 0.00 0.04 0.00 0.00 34.50 32.57 2h62 s PRO 18 CO 0.16 -0.66 0.79 -1.17 0.04 0.00 0.00 177.00 176.15 2h62 s LEU 19 N -3.53 -1.08 -0.21 -3.56 2.96 -1.26 -4.64 118.68 107.36 2h62 s LEU 19 Ca 0.69 0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 54.71 2h62 s LEU 19 Cb -0.23 1.74 -0.04 0.00 0.50 0.00 0.00 46.19 48.16 2h62 s LEU 19 CO 0.26 -0.20 0.32 -0.47 -1.32 0.00 0.00 176.35 174.94 2h62 s TYR 20 N 2.89 3.37 -0.46 5.38 5.04 -1.26 -0.70 117.35 131.60 2h62 s TYR 20 Ca 0.16 0.50 -0.16 0.00 -2.44 0.00 0.00 57.07 55.13 2h62 s TYR 20 Cb -0.08 -2.43 0.05 0.00 0.35 0.00 0.00 41.96 39.85 2h62 s TYR 20 CO -0.23 0.04 0.41 0.08 -1.34 0.00 0.00 175.55 174.52 2h62 s VAL 21 N 1.14 5.17 -0.23 3.14 1.01 0.59 -4.95 120.40 126.27 2h62 s VAL 21 Ca 0.16 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2h62 s VAL 21 Cb -0.14 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2h62 s VAL 21 CO 0.06 -0.53 0.81 -0.62 0.00 0.00 0.00 175.10 174.82 2h62 s ASP 22 N 2.30 6.82 0.49 3.32 -1.08 -1.26 -1.50 116.67 125.76 2h62 s ASP 22 Ca 0.07 1.02 0.18 0.00 -0.52 0.00 0.00 52.55 53.30 2h62 s ASP 22 Cb -0.21 -2.43 1.22 0.00 -1.46 0.00 0.00 42.92 40.04 2h62 s ASP 22 CO 0.09 -0.48 2.07 -0.26 0.52 0.00 0.00 175.17 177.11 2h62 h PHE 23 N 7.64 0.00 0.00 -5.34 0.04 -1.17 -0.32 116.94 117.78 2h62 h PHE 23 Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 2h62 h PHE 23 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 2h62 h PHE 23 CO 0.75 0.11 0.00 0.66 -0.60 0.00 0.00 178.31 179.23 2h62 h SER 24 N 0.00 0.00 1.43 2.17 4.64 -1.93 -0.23 113.55 119.64 2h62 h SER 24 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h62 h SER 24 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2h62 h SER 24 CO 0.01 0.00 -0.45 0.44 -0.87 0.00 0.00 176.83 175.96 2h62 h ASP 25 N 0.00 0.00 -0.07 4.97 3.32 -1.43 -3.34 116.42 119.88 2h62 h ASP 25 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2h62 h ASP 25 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2h62 h ASP 25 CO 0.00 0.01 0.00 1.33 -1.72 0.00 0.00 179.24 178.86 2h62 n VAL 26 N -2.74 1.61 -3.34 -1.35 0.24 -1.09 -5.00 118.33 106.66 2h62 n VAL 26 Ca 0.03 -1.73 -0.18 0.00 -2.04 0.00 0.00 64.34 60.41 2h62 n VAL 26 Cb 0.52 0.04 0.06 0.00 -1.47 0.00 0.00 33.84 32.99 2h62 n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2h62 n GLY 27 N -0.86 -0.22 0.00 7.63 0.00 -0.95 -4.92 105.19 105.87 2h62 n GLY 27 Ca 0.12 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.22 2h62 n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2h62 n TRP 28 N -4.38 0.00 0.30 1.61 7.02 -0.14 -4.61 117.44 117.24 2h62 n TRP 28 Ca -0.02 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.64 2h62 n TRP 28 Cb 0.56 -0.04 0.82 0.00 -2.42 0.00 0.00 31.31 30.23 2h62 n TRP 28 CO 0.00 0.00 0.00 -2.95 -2.02 0.00 0.00 177.69 172.72 2h62 h ASN 29 N 0.00 0.00 1.86 -0.99 -1.07 -1.76 0.27 115.58 113.89 2h62 h ASN 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2h62 h ASN 29 Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 2h62 h ASN 29 CO 0.00 0.00 -0.11 0.44 0.07 0.00 0.00 177.43 177.83 2h62 h ASP 30 N 0.00 0.00 0.00 6.14 3.32 -1.90 -3.34 116.42 120.64 2h62 h ASP 30 Ca 0.00 -0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 2h62 h ASP 30 Cb 0.32 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 2h62 h ASP 30 CO 0.00 0.00 -2.48 0.79 -1.72 0.00 0.00 179.24 175.84 2h62 n TRP 31 N -3.00 0.03 -3.27 4.55 8.01 -0.49 -4.92 117.44 118.35 2h62 n TRP 31 Ca 0.04 0.01 -0.41 0.00 -1.31 0.00 0.00 57.50 55.82 2h62 n TRP 31 Cb 0.53 -1.00 -0.08 0.00 -2.01 0.00 0.00 31.31 28.74 2h62 n TRP 31 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2h62 s ILE 32 N -2.52 5.04 0.17 -0.99 1.01 0.84 -3.75 121.20 121.00 2h62 s ILE 32 Ca -0.35 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 2h62 s ILE 32 Cb 0.10 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 2h62 s ILE 32 CO 0.59 -0.19 1.42 0.58 0.00 0.00 0.00 174.94 177.35 2h62 h VAL 33 N 5.59 1.35 -1.98 2.92 2.07 -0.39 -3.42 116.25 122.40 2h62 h VAL 33 Ca -0.28 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.13 2h62 h VAL 33 Cb 1.13 2.04 -0.20 0.00 -1.52 0.00 0.00 31.29 32.74 2h62 h VAL 33 CO 0.76 0.63 0.18 0.00 0.02 0.00 0.00 177.57 179.16 2h62 s ALA 34 N -3.69 -1.78 0.95 1.67 0.00 -1.18 -4.77 121.76 112.96 2h62 s ALA 34 Ca -0.07 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 2h62 s ALA 34 Cb 0.10 -0.49 0.20 0.00 0.00 0.00 0.00 23.12 22.94 2h62 s ALA 34 CO 0.85 -0.35 1.30 -1.25 0.00 0.00 0.00 175.76 176.30 2h62 s PRO 35 N -0.57 0.64 0.50 0.00 0.04 -1.26 -0.13 135.00 134.22 2h62 s PRO 35 Ca -0.06 -0.55 0.31 0.00 0.04 0.00 0.00 61.00 60.74 2h62 s PRO 35 Cb -0.02 -1.89 1.22 0.00 0.04 0.00 0.00 34.50 33.85 2h62 s PRO 35 CO 0.06 -2.38 1.92 -1.35 0.04 0.00 0.00 177.00 175.29 2h62 h PRO 36 N -1.56 0.00 0.00 0.56 0.11 -1.92 -3.47 132.00 125.71 2h62 h PRO 36 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2h62 h PRO 36 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2h62 h PRO 36 CO 0.36 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.56 2h62 n GLY 37 N 0.14 -1.51 3.58 -0.55 0.00 -1.26 -0.54 105.19 105.05 2h62 n GLY 37 Ca 0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 2h62 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h62 s TYR 38 N -2.72 -0.34 -0.52 1.61 1.13 -0.56 -4.95 117.35 111.00 2h62 s TYR 38 Ca 0.00 0.10 -0.25 0.00 -1.41 0.00 0.00 57.07 55.51 2h62 s TYR 38 Cb 0.00 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.49 2h62 s TYR 38 CO 0.00 -0.81 0.96 -1.01 -2.51 0.00 0.00 175.55 172.19 2h62 s HIS 39 N -3.48 2.82 -0.13 -3.49 3.76 -1.26 -0.30 115.29 113.21 2h62 s HIS 39 Ca 0.06 0.20 0.13 0.00 -0.15 0.00 0.00 55.06 55.30 2h62 s HIS 39 Cb -0.02 -4.09 -0.24 0.00 1.11 0.00 0.00 32.58 29.35 2h62 s HIS 39 CO -0.06 -1.28 0.32 0.00 -0.85 0.00 0.00 174.74 172.88 2h62 n ALA 40 N 7.46 1.45 -1.45 -1.40 0.00 0.12 -4.77 120.51 121.92 2h62 n ALA 40 Ca 0.04 -1.03 0.19 0.00 0.00 0.00 0.00 53.44 52.64 2h62 n ALA 40 Cb 0.48 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 2h62 n ALA 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2h62 n PHE 41 N -2.96 -3.71 -3.57 0.00 3.01 -0.68 -1.72 117.46 107.84 2h62 n PHE 41 Ca -0.27 1.89 -0.11 0.00 1.01 0.00 0.00 57.45 59.98 2h62 n PHE 41 Cb 1.10 -3.37 -0.03 0.00 -0.01 0.00 0.00 39.48 37.17 2h62 n PHE 41 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2h62 s TYR 42 N -2.72 -0.35 -0.07 1.38 -0.85 -0.81 -4.72 117.35 109.21 2h62 s TYR 42 Ca 0.00 0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 2h62 s TYR 42 Cb 0.00 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 2h62 s TYR 42 CO 0.00 -0.87 -0.06 0.00 -1.52 0.00 0.00 175.55 173.10 2h62 s HIS 44 N -0.82 -0.54 0.00 0.00 5.04 -0.68 -4.76 115.29 113.53 2h62 s HIS 44 Ca 0.12 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.48 2h62 s HIS 44 Cb -0.11 0.45 0.00 0.00 0.04 0.00 0.00 32.58 32.96 2h62 s HIS 44 CO 0.02 -0.56 0.00 0.41 -2.34 0.00 0.00 174.74 172.27 2h62 n GLY 45 N 0.62 3.63 3.77 1.59 0.00 -1.26 -1.48 105.19 112.06 2h62 n GLY 45 Ca -0.16 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2h62 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h62 s GLU 46 N -2.70 4.27 -0.73 1.61 2.12 -0.36 -3.68 118.70 119.25 2h62 s GLU 46 Ca 0.00 1.92 -0.10 0.00 0.36 0.00 0.00 54.97 57.15 2h62 s GLU 46 Cb 0.00 -2.90 0.19 0.00 0.26 0.00 0.00 34.13 31.68 2h62 s GLU 46 CO 0.00 -0.15 0.62 0.00 -0.54 0.00 0.00 175.26 175.19 2h62 s PRO 48 N 0.21 1.68 -0.20 0.00 0.04 -1.26 -4.60 135.00 130.87 2h62 s PRO 48 Ca 0.16 -1.31 -0.12 0.00 0.04 0.00 0.00 61.00 59.78 2h62 s PRO 48 Cb -0.15 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 2h62 s PRO 48 CO -0.06 -1.43 0.21 0.12 0.04 0.00 0.00 177.00 175.88 2h62 s PHE 49 N -3.09 3.40 0.61 0.56 5.36 -1.26 -3.11 117.98 120.45 2h62 s PHE 49 Ca 0.67 0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 57.03 2h62 s PHE 49 Cb -0.04 -2.28 0.05 0.00 -0.34 0.00 0.00 43.02 40.41 2h62 s PHE 49 CO 0.44 0.19 0.87 -1.25 -1.46 0.00 0.00 175.22 174.00 2h62 s PRO 50 N 0.67 2.35 -0.41 10.12 0.04 -1.26 -5.10 135.00 141.40 2h62 s PRO 50 Ca 0.11 -0.66 -0.22 0.00 0.04 0.00 0.00 61.00 60.28 2h62 s PRO 50 Cb -0.13 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.05 2h62 s PRO 50 CO 0.02 -0.94 0.70 -0.51 0.04 0.00 0.00 177.00 176.31 2h62 s LEU 51 N -4.94 4.33 0.85 -3.56 1.43 -1.18 -5.05 118.68 110.55 2h62 s LEU 51 Ca 0.59 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.49 2h62 s LEU 51 Cb -0.10 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.38 2h62 s LEU 51 CO 0.41 -0.77 1.10 0.00 0.23 0.00 0.00 176.35 177.32 2h62 s ALA 52 N 2.97 1.92 0.22 4.21 0.00 -1.26 -4.92 121.76 124.90 2h62 s ALA 52 Ca 0.26 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 2h62 s ALA 52 Cb -0.13 -3.13 0.28 0.00 0.00 0.00 0.00 23.12 20.14 2h62 s ALA 52 CO 0.19 -2.04 1.61 0.22 0.00 0.00 0.00 175.76 175.74 2h62 h ASP 53 N -1.31 -0.72 0.19 0.00 1.82 -2.02 -1.21 116.42 113.16 2h62 h ASP 53 Ca -0.48 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 2h62 h ASP 53 Cb 1.28 0.46 0.00 0.00 0.68 0.00 0.00 39.33 41.76 2h62 h ASP 53 CO 0.58 -0.25 0.00 0.00 -1.61 0.00 0.00 179.24 177.96 2h62 n HIS 54 N -5.48 0.00 1.45 0.28 1.44 -1.26 -1.54 115.22 110.11 2h62 n HIS 54 Ca 0.09 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 2h62 n HIS 54 Cb 0.37 -0.35 0.50 0.00 0.12 0.00 0.00 29.99 30.64 2h62 n HIS 54 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2h62 n LEU 55 N -1.35 1.47 -3.74 2.39 4.77 -0.46 -4.70 117.00 115.38 2h62 n LEU 55 Ca 0.03 -0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 55.30 2h62 n LEU 55 Cb 0.07 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2h62 n LEU 55 CO 0.07 0.26 -0.10 0.59 -1.33 0.00 0.00 177.39 176.88 2h62 n ASN 56 N 0.16 -1.23 -4.83 -1.43 3.02 -0.59 -1.95 115.26 108.40 2h62 n ASN 56 Ca 0.18 -0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 53.84 2h62 n ASN 56 Cb 0.34 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 2h62 n ASN 56 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2h62 s SER 57 N -4.21 6.91 0.79 6.41 1.04 -1.26 -4.72 113.70 118.65 2h62 s SER 57 Ca 0.16 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.75 2h62 s SER 57 Cb -0.09 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.73 2h62 s SER 57 CO 0.41 -0.02 1.09 0.42 0.98 0.00 0.00 173.24 176.12 2h62 s THR 58 N -1.65 3.20 0.36 2.02 -4.23 -1.26 -4.88 115.64 109.21 2h62 s THR 58 Ca 0.45 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.39 2h62 s THR 58 Cb -0.14 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.85 2h62 s THR 58 CO 0.20 -0.51 2.01 0.78 -0.54 0.00 0.00 174.62 176.55 2h62 h ASN 59 N -1.05 0.67 -0.39 3.99 2.35 -1.97 -1.81 115.58 117.37 2h62 h ASN 59 Ca -0.47 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2h62 h ASN 59 Cb 1.26 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 2h62 h ASN 59 CO 0.59 0.48 0.25 -0.74 -1.65 0.00 0.00 177.43 176.35 2h62 h HIS 60 N 0.79 0.50 -0.84 1.19 2.76 -1.99 0.20 115.15 117.75 2h62 h HIS 60 Ca 0.24 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2h62 h HIS 60 Cb -0.01 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 2h62 h HIS 60 CO -0.00 0.33 0.43 0.00 -1.30 0.00 0.00 177.93 177.39 2h62 h ALA 61 N 1.13 1.17 -0.05 5.26 0.00 -1.74 0.18 119.26 125.20 2h62 h ALA 61 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h62 h ALA 61 Cb -0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2h62 h ALA 61 CO -0.03 0.65 0.03 0.82 0.00 0.00 0.00 179.25 180.71 2h62 h ILE 62 N 1.19 1.11 -0.55 0.00 2.04 -0.73 -1.21 117.51 119.37 2h62 h ILE 62 Ca 0.29 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2h62 h ILE 62 Cb 0.08 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2h62 h ILE 62 CO -0.04 0.09 0.32 0.58 0.00 0.00 0.00 178.15 179.11 2h62 h VAL 63 N -0.04 1.17 -0.75 1.67 2.07 -0.31 -2.30 116.25 117.75 2h62 h VAL 63 Ca 0.02 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2h62 h VAL 63 Cb 0.13 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2h62 h VAL 63 CO -0.00 0.18 0.49 -0.61 0.02 0.00 0.00 177.57 177.65 2h62 h GLN 64 N 0.73 1.00 -0.45 1.57 4.15 -0.49 -0.31 115.11 121.30 2h62 h GLN 64 Ca 0.20 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 2h62 h GLN 64 Cb 0.00 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 2h62 h GLN 64 CO -0.04 0.67 0.18 1.15 -1.93 0.00 0.00 178.83 178.86 2h62 h THR 65 N 1.02 1.20 -0.59 2.39 2.02 -0.94 0.91 112.91 118.93 2h62 h THR 65 Ca 0.28 -0.63 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 2h62 h THR 65 Cb -0.11 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2h62 h THR 65 CO -0.06 0.23 -0.04 -0.07 0.37 0.00 0.00 175.52 175.95 2h62 h LEU 66 N 0.59 1.06 -0.55 2.58 3.38 -0.83 -1.32 115.31 120.22 2h62 h LEU 66 Ca 0.15 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2h62 h LEU 66 Cb 0.19 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2h62 h LEU 66 CO -0.01 1.13 0.04 0.58 0.09 0.00 0.00 178.44 180.27 2h62 h VAL 67 N 0.96 1.26 -0.60 1.22 2.07 -0.82 -1.97 116.25 118.39 2h62 h VAL 67 Ca 0.16 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2h62 h VAL 67 Cb 0.61 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2h62 h VAL 67 CO 0.04 0.38 0.40 -1.13 0.02 0.00 0.00 177.57 177.27 2h62 h ASN 68 N 0.83 0.65 0.74 0.57 -0.73 -0.57 0.56 115.58 117.62 2h62 h ASN 68 Ca 0.16 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.27 2h62 h ASN 68 Cb 0.48 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 2h62 h ASN 68 CO 0.02 0.46 -0.22 0.77 -0.37 0.00 0.00 177.43 178.09 2h62 h SER 69 N 0.76 0.00 0.12 1.15 4.64 -0.49 -2.99 113.55 116.73 2h62 h SER 69 Ca 0.23 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.21 2h62 h SER 69 Cb -0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2h62 h SER 69 CO -0.06 0.22 -1.81 0.58 -0.87 0.00 0.00 176.83 174.89 2h62 h VAL 70 N 0.00 0.74 -3.18 0.95 2.07 -0.72 -3.45 116.25 112.66 2h62 h VAL 70 Ca -0.00 -2.35 -0.53 0.00 0.82 0.00 0.00 66.70 64.63 2h62 h VAL 70 Cb 0.65 2.53 -0.40 0.00 -1.52 0.00 0.00 31.29 32.55 2h62 h VAL 70 CO 0.03 0.80 -0.76 0.21 0.02 0.00 0.00 177.57 177.87 2h62 s ASN 71 N -7.06 3.27 0.14 0.57 2.47 0.18 -5.01 114.94 109.50 2h62 s ASN 71 Ca -0.22 -1.08 0.12 0.00 0.42 0.00 0.00 52.86 52.10 2h62 s ASN 71 Cb 0.06 -0.63 0.60 0.00 -1.45 0.00 0.00 41.25 39.82 2h62 s ASN 71 CO 0.76 -0.35 1.37 -1.20 -3.72 0.00 0.00 177.10 173.96 2h62 n SER 72 N 5.02 0.27 0.27 -4.21 7.64 -1.16 -1.82 113.62 119.63 2h62 n SER 72 Ca -0.07 0.61 0.16 0.00 1.01 0.00 0.00 58.87 60.58 2h62 n SER 72 Cb 0.45 -0.65 0.74 0.00 -1.01 0.00 0.00 64.21 63.74 2h62 n SER 72 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2h62 h LYS 73 N 0.00 0.00 -5.26 1.43 1.79 -1.93 -3.40 116.57 109.21 2h62 h LYS 73 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 2h62 h LYS 73 Cb 0.08 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.59 2h62 h LYS 73 CO 0.00 0.07 -0.19 0.42 -1.08 0.00 0.00 179.45 178.67 2h62 s ILE 74 N -3.87 5.17 0.92 1.86 -1.09 -0.75 -5.05 121.20 118.38 2h62 s ILE 74 Ca -0.01 0.65 -0.10 0.00 -2.23 0.00 0.00 60.65 58.96 2h62 s ILE 74 Cb 0.11 -3.72 0.15 0.00 -1.58 0.00 0.00 42.46 37.41 2h62 s ILE 74 CO 0.55 0.17 1.14 -2.84 -1.23 0.00 0.00 174.94 172.73 2h62 s PRO 75 N 1.89 0.95 0.76 2.79 0.02 -1.26 -4.38 135.00 135.78 2h62 s PRO 75 Ca 0.17 1.48 -0.11 0.00 0.02 0.00 0.00 61.00 62.56 2h62 s PRO 75 Cb -0.15 -1.73 0.06 0.00 0.02 0.00 0.00 34.50 32.70 2h62 s PRO 75 CO 0.09 -2.66 1.13 0.15 -0.33 0.00 0.00 177.00 175.39 2h62 s LYS 76 N -4.65 2.28 1.03 5.54 1.02 -1.26 -4.72 119.74 118.97 2h62 s LYS 76 Ca 0.67 0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.71 2h62 s LYS 76 Cb -0.23 -2.00 0.21 0.00 -0.52 0.00 0.00 37.83 35.29 2h62 s LYS 76 CO 0.58 -1.37 1.07 0.00 -0.92 0.00 0.00 175.35 174.72 2h62 s ALA 77 N -3.46 0.61 0.01 5.17 0.00 -1.26 -5.01 121.76 117.82 2h62 s ALA 77 Ca 0.60 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2h62 s ALA 77 Cb -0.11 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2h62 s ALA 77 CO 0.49 -3.08 -0.19 0.00 0.00 0.00 0.00 175.76 172.97 2h62 s VAL 80 N 3.46 0.00 0.11 0.00 -7.23 -0.04 -4.47 120.40 112.22 2h62 s VAL 80 Ca 0.43 -1.77 -0.31 0.00 -1.81 0.00 0.00 61.98 58.51 2h62 s VAL 80 Cb -0.13 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 2h62 s VAL 80 CO 0.14 0.00 1.42 -2.84 -0.31 0.00 0.00 175.10 173.51 2h62 s PRO 81 N -3.99 4.30 0.00 4.82 0.02 -1.26 -1.36 135.00 137.53 2h62 s PRO 81 Ca 0.33 2.11 0.15 0.00 0.02 0.00 0.00 61.00 63.61 2h62 s PRO 81 Cb 0.04 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.18 2h62 s PRO 81 CO 0.13 -0.49 0.72 0.25 -0.33 0.00 0.00 177.00 177.27 2h62 n THR 82 N 4.07 0.00 -3.69 0.99 -2.24 0.25 -4.85 114.28 108.81 2h62 n THR 82 Ca 0.12 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 2h62 n THR 82 Cb 0.42 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 2h62 n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2h62 s GLU 83 N -2.12 0.36 0.19 -0.78 2.12 -1.16 -4.95 118.70 112.36 2h62 s GLU 83 Ca 0.09 0.84 0.08 0.00 0.36 0.00 0.00 54.97 56.34 2h62 s GLU 83 Cb 0.12 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 2h62 s GLU 83 CO 0.50 -0.18 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.36 2h62 s LEU 84 N 1.71 2.50 0.29 2.70 1.43 -1.26 -0.38 118.68 125.67 2h62 s LEU 84 Ca -0.07 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2h62 s LEU 84 Cb -0.09 -0.75 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 2h62 s LEU 84 CO -0.13 -0.10 0.01 -0.94 0.23 0.00 0.00 176.35 175.43 2h62 s SER 85 N -3.00 2.32 0.41 2.29 1.04 0.47 -4.76 113.70 112.47 2h62 s SER 85 Ca 0.19 -1.29 0.02 0.00 0.48 0.00 0.00 55.95 55.35 2h62 s SER 85 Cb -0.03 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2h62 s SER 85 CO 0.07 -0.52 0.61 0.00 0.98 0.00 0.00 173.24 174.38 2h62 s ALA 86 N -3.26 3.89 -0.05 5.32 0.00 -1.26 -0.87 121.76 125.52 2h62 s ALA 86 Ca 0.33 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 2h62 s ALA 86 Cb 0.07 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.20 2h62 s ALA 86 CO 0.13 -0.27 0.19 0.96 0.00 0.00 0.00 175.76 176.77 2h62 s ILE 87 N -2.44 0.02 0.38 0.00 -4.36 -0.65 -4.90 121.20 109.26 2h62 s ILE 87 Ca 0.47 -0.19 -0.08 0.00 -0.26 0.00 0.00 60.65 60.59 2h62 s ILE 87 Cb -0.10 -0.34 -0.06 0.00 1.25 0.00 0.00 42.46 43.22 2h62 s ILE 87 CO 0.36 -0.10 0.70 -0.94 0.24 0.00 0.00 174.94 175.20 2h62 s SER 88 N -0.32 6.46 0.01 4.36 1.04 -1.26 -0.93 113.70 123.06 2h62 s SER 88 Ca -0.04 0.97 -0.06 0.00 0.48 0.00 0.00 55.95 57.29 2h62 s SER 88 Cb -0.03 -2.25 -0.00 0.00 0.10 0.00 0.00 66.02 63.83 2h62 s SER 88 CO 0.01 -0.36 0.11 -0.04 0.98 0.00 0.00 173.24 173.94 2h62 s MET 89 N -3.87 0.50 -0.22 4.02 1.00 0.23 -4.72 119.30 116.24 2h62 s MET 89 Ca 0.48 -0.51 -0.08 0.00 0.00 0.00 0.00 55.69 55.59 2h62 s MET 89 Cb -0.10 0.20 -0.04 0.00 0.00 0.00 0.00 34.83 34.89 2h62 s MET 89 CO 0.33 -0.12 0.08 -1.17 0.00 0.00 0.00 175.02 174.13 2h62 s LEU 90 N -1.58 3.67 0.26 -0.03 2.96 0.81 -1.13 118.68 123.65 2h62 s LEU 90 Ca -0.13 -0.05 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 2h62 s LEU 90 Cb -0.06 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 2h62 s LEU 90 CO -0.00 0.06 -0.13 -0.72 -1.32 0.00 0.00 176.35 174.24 2h62 s TYR 91 N 1.03 2.00 -0.19 5.38 -0.00 0.13 0.33 117.35 126.02 2h62 s TYR 91 Ca 0.04 -0.53 -0.17 0.00 -0.00 0.00 0.00 57.07 56.41 2h62 s TYR 91 Cb -0.14 -0.99 -0.04 0.00 -0.00 0.00 0.00 41.96 40.80 2h62 s TYR 91 CO 0.03 0.46 0.47 -0.51 -0.00 0.00 0.00 175.55 176.00 2h62 s LEU 92 N -3.43 4.16 0.57 -3.49 2.01 -1.25 0.21 118.68 117.46 2h62 s LEU 92 Ca 0.27 0.62 -0.12 0.00 0.01 0.00 0.00 54.13 54.91 2h62 s LEU 92 Cb -0.00 -2.63 -0.05 0.00 0.01 0.00 0.00 46.19 43.52 2h62 s LEU 92 CO 0.11 -0.12 0.99 -1.81 1.01 0.00 0.00 176.35 176.53 2h62 s ASP 93 N 1.07 6.36 -0.96 2.29 -0.00 0.14 -4.88 116.67 120.69 2h62 s ASP 93 Ca 0.22 1.41 -0.20 0.00 -0.00 0.00 0.00 52.55 53.98 2h62 s ASP 93 Cb -0.15 -2.46 -0.11 0.00 -0.00 0.00 0.00 42.92 40.21 2h62 s ASP 93 CO 0.09 -0.75 1.99 -0.62 -0.00 0.00 0.00 175.17 175.88 2h62 n GLU 94 N -2.32 1.84 0.00 8.23 1.02 -1.26 -0.80 120.64 127.34 2h62 n GLU 94 Ca 0.06 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 55.12 2h62 n GLU 94 Cb 0.54 -3.06 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 2h62 n GLU 94 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2h62 n ASN 95 N 7.65 0.00 -1.59 1.62 5.15 -1.26 -4.94 115.26 121.89 2h62 n ASN 95 Ca 0.50 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.36 2h62 n ASN 95 Cb 0.41 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.67 2h62 n ASN 95 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2h62 n GLU 96 N 0.00 -2.08 -3.49 1.20 2.13 0.02 -4.99 120.64 113.43 2h62 n GLU 96 Ca 0.00 0.51 -0.42 0.00 0.66 0.00 0.00 57.16 57.91 2h62 n GLU 96 Cb 0.00 -4.55 -0.10 0.00 0.27 0.00 0.00 31.44 27.06 2h62 n GLU 96 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2h62 s LYS 97 N -4.96 3.19 -0.29 5.31 2.47 -1.21 -4.84 119.74 119.41 2h62 s LYS 97 Ca 0.11 -0.86 -0.29 0.00 -1.56 0.00 0.00 55.97 53.37 2h62 s LYS 97 Cb -0.05 -3.91 -0.02 0.00 -1.46 0.00 0.00 37.83 32.39 2h62 s LYS 97 CO 0.14 -0.62 1.72 0.54 0.16 0.00 0.00 175.35 177.28 2h62 s VAL 98 N 1.70 3.57 -0.13 4.02 0.11 -1.26 0.23 120.40 128.64 2h62 s VAL 98 Ca 0.05 0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 59.67 2h62 s VAL 98 Cb -0.18 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2h62 s VAL 98 CO 0.10 -0.38 0.00 -0.69 -3.33 0.00 0.00 175.10 170.81 2h62 s VAL 99 N 6.14 4.27 -0.19 2.04 1.01 0.13 -4.92 120.40 128.88 2h62 s VAL 99 Ca 0.76 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 2h62 s VAL 99 Cb -0.23 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2h62 s VAL 99 CO 0.32 0.53 0.36 -0.22 0.00 0.00 0.00 175.10 176.10 2h62 s LEU 100 N -0.17 4.18 0.01 3.92 2.96 -1.26 -0.70 118.68 127.62 2h62 s LEU 100 Ca 0.05 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 2h62 s LEU 100 Cb -0.13 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 2h62 s LEU 100 CO 0.02 -0.02 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.18 2h62 s LYS 101 N 1.07 0.74 0.02 1.98 2.36 -0.28 -4.98 119.74 120.65 2h62 s LYS 101 Ca 0.18 -0.45 -0.17 0.00 -2.55 0.00 0.00 55.97 52.99 2h62 s LYS 101 Cb -0.14 -0.70 -0.06 0.00 -1.05 0.00 0.00 37.83 35.88 2h62 s LYS 101 CO 0.07 0.18 0.47 1.21 1.55 0.00 0.00 175.35 178.83 2h62 s ASN 102 N -0.53 6.90 -0.17 1.43 2.47 -1.26 -0.60 114.94 123.18 2h62 s ASN 102 Ca 0.02 1.07 0.01 0.00 0.42 0.00 0.00 52.86 54.38 2h62 s ASN 102 Cb -0.05 -2.29 0.02 0.00 -1.45 0.00 0.00 41.25 37.48 2h62 s ASN 102 CO 0.00 0.30 -0.18 -0.31 -3.72 0.00 0.00 177.10 173.19 2h62 s TYR 103 N -1.04 2.58 0.76 0.43 1.51 -0.11 -4.97 117.35 116.51 2h62 s TYR 103 Ca 0.26 -1.51 -0.11 0.00 -1.01 0.00 0.00 57.07 54.70 2h62 s TYR 103 Cb -0.18 -1.81 0.05 0.00 -0.11 0.00 0.00 41.96 39.91 2h62 s TYR 103 CO 0.15 -0.76 1.13 -0.65 -1.11 0.00 0.00 175.55 174.31 2h62 s GLN 104 N 1.34 2.31 -1.55 -0.62 -1.52 -1.26 -1.64 119.66 116.72 2h62 s GLN 104 Ca 0.05 0.19 -0.08 0.00 -1.95 0.00 0.00 55.36 53.56 2h62 s GLN 104 Cb -0.13 -2.00 0.07 0.00 -0.22 0.00 0.00 33.01 30.72 2h62 s GLN 104 CO -0.12 -1.35 0.53 -0.25 -0.25 0.00 0.00 175.29 173.84 2h62 n ASP 105 N -3.16 -1.41 -0.09 5.90 8.00 -1.22 -4.87 116.55 119.70 2h62 n ASP 105 Ca 0.08 -1.04 -0.09 0.00 0.71 0.00 0.00 54.79 54.45 2h62 n ASP 105 Cb 0.60 -2.78 -0.16 0.00 -0.02 0.00 0.00 41.12 38.76 2h62 n ASP 105 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2h62 n MET 106 N -4.41 0.68 -4.96 -1.24 2.81 -0.05 -4.87 117.12 105.08 2h62 n MET 106 Ca -0.15 0.01 -0.33 0.00 -1.81 0.00 0.00 57.70 55.42 2h62 n MET 106 Cb 0.61 -1.55 -0.15 0.00 -0.71 0.00 0.00 33.22 31.42 2h62 n MET 106 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2h62 s VAL 107 N -2.54 2.67 -0.18 2.03 1.01 -0.83 -4.72 120.40 117.85 2h62 s VAL 107 Ca -0.09 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2h62 s VAL 107 Cb 0.06 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 2h62 s VAL 107 CO 0.83 0.54 1.08 -0.69 0.00 0.00 0.00 175.10 176.87 2h62 s VAL 108 N 0.27 4.60 -0.20 2.92 1.01 -0.70 -0.39 120.40 127.90 2h62 s VAL 108 Ca -0.12 1.92 0.15 0.00 0.00 0.00 0.00 61.98 63.92 2h62 s VAL 108 Cb -0.16 -4.24 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 2h62 s VAL 108 CO 0.06 -0.12 0.02 -0.62 0.00 0.00 0.00 175.10 174.44 2h62 n GLU 109 N 6.03 0.77 -3.69 2.72 -0.58 0.49 -4.87 120.64 121.52 2h62 n GLU 109 Ca 0.12 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.73 2h62 n GLU 109 Cb 0.46 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.76 2h62 n GLU 109 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2h62 s GLY 110 N -5.59 -0.27 0.09 0.62 0.00 -0.94 -4.96 107.32 96.27 2h62 s GLY 110 Ca -0.14 0.54 0.10 0.00 0.00 0.00 0.00 44.72 45.22 2h62 s GLY 110 CO 0.76 0.29 -0.25 0.00 0.00 0.00 0.00 173.10 173.90 2h62 n GLY 112 N 1.28 1.22 3.51 0.00 0.00 -0.47 -4.56 105.19 106.17 2h62 n GLY 112 Ca -0.17 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 2h62 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32