#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4d s ILE 1 N 0.00 0.01 -0.02 1.12 1.10 -1.26 -5.15 121.20 117.00 2d4d s ILE 1 Ca 0.00 -0.11 0.01 0.00 -0.51 0.00 0.00 60.65 60.04 2d4d s ILE 1 Cb 0.00 -0.42 0.01 0.00 0.15 0.00 0.00 42.46 42.20 2d4d s ILE 1 CO 0.00 -0.06 -0.03 0.00 -2.11 0.00 0.00 174.94 172.75 2d4d s GLN 2 N -0.14 0.43 -0.05 3.50 -2.07 -1.26 -4.37 119.66 115.70 2d4d s GLN 2 Ca -0.03 -0.05 0.02 0.00 -1.82 0.00 0.00 55.36 53.48 2d4d s GLN 2 Cb -0.03 -0.49 0.02 0.00 -1.09 0.00 0.00 33.01 31.42 2d4d s GLN 2 CO 0.01 -0.03 -0.07 1.03 -1.32 0.00 0.00 175.29 174.91 2d4d s ARG 3 N 0.55 1.05 0.24 9.60 0.52 0.08 -4.93 118.95 126.05 2d4d s ARG 3 Ca -0.06 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 2d4d s ARG 3 Cb -0.09 -0.97 -0.09 0.00 0.52 0.00 0.00 34.95 34.32 2d4d s ARG 3 CO -0.01 -0.02 1.03 0.99 0.02 0.00 0.00 175.30 177.31 2d4d s THR 4 N 0.73 3.83 0.35 0.02 2.01 -1.26 -1.99 115.64 119.33 2d4d s THR 4 Ca -0.11 1.78 -0.28 0.00 0.31 0.00 0.00 61.69 63.38 2d4d s THR 4 Cb -0.14 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 2d4d s THR 4 CO 0.01 0.40 1.26 -2.16 -0.69 0.00 0.00 174.62 173.44 2d4d s PRO 5 N -1.08 4.29 0.23 4.92 0.04 -1.26 -4.61 135.00 137.52 2d4d s PRO 5 Ca 0.44 2.10 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 2d4d s PRO 5 Cb -0.29 -2.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 2d4d s PRO 5 CO 0.36 -0.21 0.84 0.21 0.04 0.00 0.00 177.00 178.25 2d4d s LYS 6 N -1.89 4.59 -0.09 4.56 2.20 -0.71 -4.90 119.74 123.50 2d4d s LYS 6 Ca 0.51 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 57.35 2d4d s LYS 6 Cb -0.37 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2d4d s LYS 6 CO 0.49 0.47 -0.09 0.42 -0.36 0.00 0.00 175.35 176.28 2d4d s ILE 7 N -1.32 1.02 -0.08 5.43 1.01 -1.26 -0.77 121.20 125.23 2d4d s ILE 7 Ca 0.41 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2d4d s ILE 7 Cb -0.22 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.26 2d4d s ILE 7 CO 0.26 0.35 -0.15 -1.10 0.00 0.00 0.00 174.94 174.31 2d4d s GLN 8 N 1.30 2.05 -0.18 2.79 -0.21 -0.38 -4.96 119.66 120.07 2d4d s GLN 8 Ca -0.03 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.84 2d4d s GLN 8 Cb -0.14 -1.68 0.01 0.00 1.00 0.00 0.00 33.01 32.20 2d4d s GLN 8 CO -0.04 0.02 -0.18 0.08 -2.12 0.00 0.00 175.29 173.05 2d4d s VAL 9 N 0.74 2.29 0.18 1.09 1.01 -1.26 -0.02 120.40 124.43 2d4d s VAL 9 Ca -0.12 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 2d4d s VAL 9 Cb -0.16 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2d4d s VAL 9 CO 0.03 0.52 0.50 -0.72 0.00 0.00 0.00 175.10 175.43 2d4d s TYR 10 N 1.19 -0.12 0.05 5.22 1.13 -0.69 -4.77 117.35 119.35 2d4d s TYR 10 Ca 0.02 -0.22 0.07 0.00 -1.41 0.00 0.00 57.07 55.53 2d4d s TYR 10 Cb -0.14 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 2d4d s TYR 10 CO -0.09 -0.88 -0.16 -1.54 -2.51 0.00 0.00 175.55 170.38 2d4d s SER 11 N -2.86 3.98 0.00 -0.18 1.04 -1.26 -0.12 113.70 114.30 2d4d s SER 11 Ca 0.08 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.13 2d4d s SER 11 Cb -0.00 -0.70 -0.01 0.00 0.10 0.00 0.00 66.02 65.41 2d4d s SER 11 CO -0.04 0.25 -0.03 -0.13 0.98 0.00 0.00 173.24 174.26 2d4d s ARG 12 N -1.55 0.26 -0.22 4.02 1.81 -0.65 -4.98 118.95 117.64 2d4d s ARG 12 Ca 0.16 -0.21 -0.12 0.00 -1.72 0.00 0.00 55.73 53.84 2d4d s ARG 12 Cb -0.11 -0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 34.16 2d4d s ARG 12 CO 0.07 0.05 0.23 -1.01 -0.68 0.00 0.00 175.30 173.95 2d4d s HIS 13 N -0.32 3.35 0.12 -0.53 3.76 -1.26 -0.53 115.29 119.87 2d4d s HIS 13 Ca -0.02 0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.94 2d4d s HIS 13 Cb -0.03 -2.33 -0.09 0.00 1.11 0.00 0.00 32.58 31.24 2d4d s HIS 13 CO -0.00 0.07 1.64 -2.14 -0.85 0.00 0.00 174.74 173.46 2d4d s PRO 14 N 1.04 4.19 0.50 8.40 0.02 -1.26 -4.88 135.00 143.02 2d4d s PRO 14 Ca 0.11 2.39 0.17 0.00 0.02 0.00 0.00 61.00 63.69 2d4d s PRO 14 Cb -0.14 -3.41 1.24 0.00 0.02 0.00 0.00 34.50 32.22 2d4d s PRO 14 CO 0.05 -0.70 2.10 0.00 -0.33 0.00 0.00 177.00 178.12 2d4d h ALA 15 N 7.71 1.82 -0.00 -1.55 0.00 -1.96 -0.75 119.26 124.53 2d4d h ALA 15 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2d4d h ALA 15 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2d4d h ALA 15 CO 0.93 0.08 -0.06 0.39 0.00 0.00 0.00 179.25 180.59 2d4d n GLU 16 N -4.36 0.49 -3.04 0.00 1.02 -1.26 -3.97 120.64 109.52 2d4d n GLU 16 Ca -0.03 -0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 56.84 2d4d n GLU 16 Cb 0.15 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 2d4d n GLU 16 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2d4d n ASN 17 N -1.18 -0.99 -0.03 1.62 2.85 -0.36 -5.03 115.26 112.15 2d4d n ASN 17 Ca 0.14 -2.89 0.24 0.00 -0.11 0.00 0.00 54.58 51.95 2d4d n ASN 17 Cb 0.26 0.26 0.72 0.00 1.24 0.00 0.00 39.78 42.26 2d4d n ASN 17 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2d4d h GLY 18 N 4.09 0.00 2.00 8.20 0.00 -1.50 -0.43 103.07 115.44 2d4d h GLY 18 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2d4d h GLY 18 CO 0.40 0.00 -0.55 1.70 0.00 0.00 0.00 176.54 178.10 2d4d h LYS 19 N 0.00 0.00 -7.06 4.80 3.64 -1.95 -3.44 116.57 112.55 2d4d h LYS 19 Ca 0.30 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.16 2d4d h LYS 19 Cb 1.40 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.31 2d4d h LYS 19 CO -0.00 0.55 0.48 -1.12 -2.27 0.00 0.00 179.45 177.08 2d4d s SER 20 N -6.80 5.60 -0.04 4.20 0.01 -0.17 -5.06 113.70 111.44 2d4d s SER 20 Ca -0.01 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2d4d s SER 20 Cb 0.13 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.78 2d4d s SER 20 CO 0.75 -1.31 -0.02 0.21 0.41 0.00 0.00 173.24 173.27 2d4d s ASN 21 N -1.51 0.92 -0.12 2.44 2.47 -1.26 -4.14 114.94 113.75 2d4d s ASN 21 Ca 0.72 -0.09 0.01 0.00 0.42 0.00 0.00 52.86 53.92 2d4d s ASN 21 Cb -0.29 -0.38 -0.01 0.00 -1.45 0.00 0.00 41.25 39.11 2d4d s ASN 21 CO 0.33 -0.09 -0.15 -0.36 -3.72 0.00 0.00 177.10 173.11 2d4d s PHE 22 N 1.14 2.75 -0.08 0.43 0.40 0.31 -0.94 117.98 121.98 2d4d s PHE 22 Ca -0.08 -0.67 -0.24 0.00 -0.60 0.00 0.00 56.93 55.34 2d4d s PHE 22 Cb -0.14 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 2d4d s PHE 22 CO -0.01 -0.21 0.73 -1.17 0.70 0.00 0.00 175.22 175.26 2d4d s LEU 23 N 0.23 4.30 0.02 -0.37 2.96 0.54 -1.63 118.68 124.73 2d4d s LEU 23 Ca -0.10 1.20 0.08 0.00 -0.22 0.00 0.00 54.13 55.09 2d4d s LEU 23 Cb -0.16 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 2d4d s LEU 23 CO 0.06 -0.16 -0.25 0.20 -1.32 0.00 0.00 176.35 174.88 2d4d s ASN 24 N 0.87 2.95 -0.28 3.68 0.01 0.83 -1.51 114.94 121.49 2d4d s ASN 24 Ca 0.38 -0.52 -0.01 0.00 -0.71 0.00 0.00 52.86 52.00 2d4d s ASN 24 Cb -0.18 -0.29 0.09 0.00 0.41 0.00 0.00 41.25 41.28 2d4d s ASN 24 CO 0.18 0.26 0.06 0.00 -1.51 0.00 0.00 177.10 176.09 2d4d s TYR 26 N 1.60 3.20 -0.35 0.00 5.04 0.97 -1.34 117.35 126.47 2d4d s TYR 26 Ca 0.05 -0.35 -0.07 0.00 -2.44 0.00 0.00 57.07 54.26 2d4d s TYR 26 Cb -0.18 -2.75 0.04 0.00 0.35 0.00 0.00 41.96 39.43 2d4d s TYR 26 CO -0.18 -0.60 0.12 0.08 -1.34 0.00 0.00 175.55 173.63 2d4d s VAL 27 N 1.97 3.86 0.10 3.14 1.01 0.58 -1.25 120.40 129.81 2d4d s VAL 27 Ca 0.10 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 61.03 2d4d s VAL 27 Cb -0.17 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2d4d s VAL 27 CO 0.12 -0.21 -0.23 -0.94 0.00 0.00 0.00 175.10 173.84 2d4d s SER 28 N 1.46 2.82 -1.09 3.32 1.04 0.05 -0.08 113.70 121.22 2d4d s SER 28 Ca -0.01 -0.68 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 2d4d s SER 28 Cb -0.20 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.74 2d4d s SER 28 CO 0.03 0.12 0.06 0.61 0.98 0.00 0.00 173.24 175.04 2d4d n GLY 29 N 1.16 -0.15 3.86 7.32 0.00 -0.12 -1.74 105.19 115.52 2d4d n GLY 29 Ca -0.19 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 2d4d n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d4d s PHE 30 N -2.70 3.26 -0.25 1.61 -0.71 -0.86 -4.62 117.98 113.71 2d4d s PHE 30 Ca 0.03 -0.00 -0.17 0.00 -1.04 0.00 0.00 56.93 55.75 2d4d s PHE 30 Cb -0.01 -1.54 0.07 0.00 -1.21 0.00 0.00 43.02 40.33 2d4d s PHE 30 CO 0.04 0.51 0.63 -1.58 -1.34 0.00 0.00 175.22 173.48 2d4d s HIS 31 N -1.84 -0.87 1.16 3.49 2.46 -0.84 -0.49 115.29 118.36 2d4d s HIS 31 Ca 0.32 1.87 -0.18 0.00 0.47 0.00 0.00 55.06 57.54 2d4d s HIS 31 Cb -0.10 0.44 0.27 0.00 -0.13 0.00 0.00 32.58 33.07 2d4d s HIS 31 CO 0.25 -0.44 1.14 -1.25 -2.47 0.00 0.00 174.74 171.97 2d4d s PRO 32 N 1.15 -0.91 0.47 2.88 0.04 -1.26 -0.74 135.00 136.64 2d4d s PRO 32 Ca -0.06 -0.08 0.29 0.00 0.04 0.00 0.00 61.00 61.19 2d4d s PRO 32 Cb -0.05 -1.63 1.02 0.00 0.04 0.00 0.00 34.50 33.87 2d4d s PRO 32 CO -0.12 -3.50 1.84 0.66 0.04 0.00 0.00 177.00 175.93 2d4d h SER 33 N -2.43 0.00 -1.95 6.66 4.64 -1.93 -3.45 113.55 115.09 2d4d h SER 33 Ca -0.45 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.23 2d4d h SER 33 Cb 1.29 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.42 2d4d h SER 33 CO 0.36 0.00 0.78 0.47 -0.87 0.00 0.00 176.83 177.57 2d4d n ASP 34 N -2.96 2.66 -3.53 4.97 9.92 -1.26 -4.94 116.55 121.41 2d4d n ASP 34 Ca 0.02 1.07 -0.12 0.00 -0.53 0.00 0.00 54.79 55.23 2d4d n ASP 34 Cb 0.37 -1.31 -0.04 0.00 -0.64 0.00 0.00 41.12 39.49 2d4d n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2d4d s ILE 35 N 1.82 0.00 -0.06 0.53 2.07 -1.26 -4.60 121.20 119.70 2d4d s ILE 35 Ca 0.86 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.13 2d4d s ILE 35 Cb -0.81 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.79 2d4d s ILE 35 CO 0.47 0.00 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.66 2d4d s GLU 36 N -1.80 1.80 -0.02 3.50 2.12 -0.43 -5.01 118.70 118.87 2d4d s GLU 36 Ca -0.03 -0.47 -0.00 0.00 0.36 0.00 0.00 54.97 54.83 2d4d s GLU 36 Cb -0.00 -1.48 0.02 0.00 0.26 0.00 0.00 34.13 32.93 2d4d s GLU 36 CO 0.00 0.07 0.03 0.08 -0.54 0.00 0.00 175.26 174.90 2d4d s VAL 37 N 0.55 -0.05 0.21 3.70 1.01 -1.26 -0.53 120.40 124.04 2d4d s VAL 37 Ca -0.13 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2d4d s VAL 37 Cb -0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2d4d s VAL 37 CO 0.04 0.07 0.34 1.51 0.00 0.00 0.00 175.10 177.06 2d4d s ASP 38 N 0.84 0.00 -0.11 3.32 -4.77 -0.48 -5.00 116.67 110.47 2d4d s ASP 38 Ca -0.07 -1.00 -0.10 0.00 -3.30 0.00 0.00 52.55 48.08 2d4d s ASP 38 Cb -0.10 0.49 -0.05 0.00 -1.09 0.00 0.00 42.92 42.18 2d4d s ASP 38 CO -0.02 -0.99 0.21 0.26 0.70 0.00 0.00 175.17 175.32 2d4d s TRP 39 N -4.03 3.58 0.23 2.11 0.52 -1.26 -0.78 118.94 119.31 2d4d s TRP 39 Ca 0.24 0.60 0.10 0.00 0.02 0.00 0.00 56.10 57.06 2d4d s TRP 39 Cb 0.02 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 2d4d s TRP 39 CO 0.07 0.60 -0.11 -0.51 0.02 0.00 0.00 176.95 177.02 2d4d s LEU 40 N -0.68 2.88 -0.11 2.99 1.43 -0.44 -2.15 118.68 122.60 2d4d s LEU 40 Ca 0.16 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2d4d s LEU 40 Cb -0.13 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.66 2d4d s LEU 40 CO 0.05 0.06 0.19 -0.75 0.23 0.00 0.00 176.35 176.13 2d4d s LYS 41 N -3.20 0.08 -1.78 1.70 2.20 0.11 -2.28 119.74 116.57 2d4d s LYS 41 Ca 0.27 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 2d4d s LYS 41 Cb -0.07 -0.39 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 2d4d s LYS 41 CO 0.16 -0.36 0.00 0.09 -0.36 0.00 0.00 175.35 174.88 2d4d n ASN 42 N 5.33 -4.79 0.00 1.43 3.02 0.14 -1.75 115.26 118.64 2d4d n ASN 42 Ca -0.05 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2d4d n ASN 42 Cb 0.50 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 2d4d n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d4d n GLY 43 N -0.49 2.83 3.76 7.41 0.00 -1.26 -5.05 105.19 112.39 2d4d n GLY 43 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2d4d n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2d4d s GLU 44 N -0.24 4.69 0.52 1.61 -1.05 -0.72 -4.96 118.70 118.56 2d4d s GLU 44 Ca 0.00 1.32 -0.22 0.00 -0.15 0.00 0.00 54.97 55.92 2d4d s GLU 44 Cb 0.00 -3.30 -0.06 0.00 -0.44 0.00 0.00 34.13 30.33 2d4d s GLU 44 CO 0.00 0.47 1.35 2.89 0.95 0.00 0.00 175.26 180.91 2d4d n ARG 45 N 1.87 1.76 -4.70 -4.83 1.85 -1.26 0.05 116.66 111.40 2d4d n ARG 45 Ca -0.03 0.64 -0.27 0.00 -1.00 0.00 0.00 57.85 57.19 2d4d n ARG 45 Cb 0.48 -2.55 -0.14 0.00 -1.05 0.00 0.00 32.46 29.20 2d4d n ARG 45 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2d4d s ILE 46 N -1.27 1.90 -0.27 8.89 2.07 -0.91 -4.76 121.20 126.84 2d4d s ILE 46 Ca 0.69 -1.34 -0.25 0.00 -1.41 0.00 0.00 60.65 58.34 2d4d s ILE 46 Cb -0.43 -1.64 0.00 0.00 0.13 0.00 0.00 42.46 40.52 2d4d s ILE 46 CO 0.51 0.24 0.86 -0.70 -1.91 0.00 0.00 174.94 173.94 2d4d s GLU 47 N -1.32 4.11 0.14 3.50 -6.30 -1.26 -4.69 118.70 112.89 2d4d s GLU 47 Ca 0.10 0.88 0.03 0.00 -2.50 0.00 0.00 54.97 53.48 2d4d s GLU 47 Cb -0.09 -3.68 -0.04 0.00 0.00 0.00 0.00 34.13 30.31 2d4d s GLU 47 CO 0.02 -0.62 -0.08 0.15 0.02 0.00 0.00 175.26 174.76 2d4d s LYS 48 N 3.00 1.01 -0.21 4.30 -0.14 -1.26 -5.12 119.74 121.32 2d4d s LYS 48 Ca 0.36 -1.43 -0.28 0.00 -1.36 0.00 0.00 55.97 53.26 2d4d s LYS 48 Cb -0.15 -0.47 0.00 0.00 -1.68 0.00 0.00 37.83 35.54 2d4d s LYS 48 CO 0.10 0.02 0.98 0.08 -0.76 0.00 0.00 175.35 175.77 2d4d s VAL 49 N -3.45 4.74 0.03 3.17 1.01 -1.26 -5.01 120.40 119.63 2d4d s VAL 49 Ca 0.16 1.91 -0.21 0.00 0.00 0.00 0.00 61.98 63.84 2d4d s VAL 49 Cb 0.04 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 2d4d s VAL 49 CO -0.00 -0.11 0.63 -1.61 0.00 0.00 0.00 175.10 174.01 2d4d s GLU 50 N 2.84 4.34 0.00 2.72 2.02 -1.26 -4.61 118.70 124.74 2d4d s GLU 50 Ca 0.43 0.82 0.02 0.00 0.02 0.00 0.00 54.97 56.26 2d4d s GLU 50 Cb -0.16 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 2d4d s GLU 50 CO 0.09 0.41 -0.08 -1.01 0.02 0.00 0.00 175.26 174.69 2d4d s HIS 51 N -0.39 0.70 -0.04 1.61 3.76 -1.06 -5.04 115.29 114.83 2d4d s HIS 51 Ca 0.32 -0.17 -0.05 0.00 -0.15 0.00 0.00 55.06 55.01 2d4d s HIS 51 Cb -0.19 -0.44 0.01 0.00 1.11 0.00 0.00 32.58 33.07 2d4d s HIS 51 CO 0.19 -0.01 0.13 -1.12 -0.85 0.00 0.00 174.74 173.08 2d4d s SER 52 N -0.35 -0.12 -0.18 1.40 0.01 -1.26 -1.32 113.70 111.89 2d4d s SER 52 Ca 0.02 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.49 2d4d s SER 52 Cb -0.04 0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.48 2d4d s SER 52 CO -0.00 -0.09 -0.18 -1.81 0.41 0.00 0.00 173.24 171.56 2d4d s ASP 53 N -0.13 3.28 -0.13 2.44 1.01 0.11 -4.97 116.67 118.28 2d4d s ASP 53 Ca -0.02 -0.61 0.01 0.00 0.71 0.00 0.00 52.55 52.64 2d4d s ASP 53 Cb -0.02 -1.51 -0.01 0.00 1.01 0.00 0.00 42.92 42.39 2d4d s ASP 53 CO 0.00 0.01 -0.15 -0.22 0.21 0.00 0.00 175.17 175.03 2d4d s LEU 54 N 1.23 2.61 0.26 1.23 2.96 -1.26 -0.67 118.68 125.04 2d4d s LEU 54 Ca 0.03 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2d4d s LEU 54 Cb -0.14 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 2d4d s LEU 54 CO -0.10 0.16 0.28 -0.94 -1.32 0.00 0.00 176.35 174.43 2d4d s SER 55 N 0.37 0.63 0.05 3.68 1.04 -0.61 -5.01 113.70 113.85 2d4d s SER 55 Ca -0.12 -1.43 -0.04 0.00 0.48 0.00 0.00 55.95 54.84 2d4d s SER 55 Cb -0.16 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 2d4d s SER 55 CO 0.06 -1.02 0.07 0.72 0.98 0.00 0.00 173.24 174.05 2d4d s PHE 56 N -3.77 0.30 0.10 5.02 -0.12 -1.26 -1.03 117.98 117.22 2d4d s PHE 56 Ca 0.35 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2d4d s PHE 56 Cb 0.03 -0.21 0.01 0.00 -0.63 0.00 0.00 43.02 42.23 2d4d s PHE 56 CO 0.17 -0.39 0.10 -1.13 -0.05 0.00 0.00 175.22 173.92 2d4d n SER 57 N 0.46 0.93 0.11 1.98 3.41 -0.28 -4.97 113.62 115.26 2d4d n SER 57 Ca -0.17 -1.32 -0.03 0.00 -0.26 0.00 0.00 58.87 57.09 2d4d n SER 57 Cb 0.60 -0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.67 2d4d n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2d4d h LYS 58 N 0.00 0.12 -0.62 4.33 1.79 -2.03 -1.88 116.57 118.29 2d4d h LYS 58 Ca -0.06 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2d4d h LYS 58 Cb 0.23 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2d4d h LYS 58 CO 0.09 0.68 0.00 -0.25 -1.08 0.00 0.00 179.45 178.89 2d4d n ASP 59 N -3.85 2.50 -3.20 0.86 9.92 -1.26 -4.91 116.55 116.60 2d4d n ASP 59 Ca -0.02 -2.24 -0.23 0.00 -0.53 0.00 0.00 54.79 51.77 2d4d n ASP 59 Cb 0.60 -0.43 0.05 0.00 -0.64 0.00 0.00 41.12 40.70 2d4d n ASP 59 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2d4d n PHE 60 N 0.34 -2.25 -3.00 1.24 0.99 -0.70 -5.01 117.46 109.06 2d4d n PHE 60 Ca 0.11 0.67 -0.35 0.00 -0.00 0.00 0.00 57.45 57.88 2d4d n PHE 60 Cb 0.50 -4.67 -0.06 0.00 -1.00 0.00 0.00 39.48 34.25 2d4d n PHE 60 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2d4d s SER 61 N -2.89 7.07 0.14 4.37 0.01 -1.26 -4.75 113.70 116.38 2d4d s SER 61 Ca 0.39 1.52 0.05 0.00 1.31 0.00 0.00 55.95 59.23 2d4d s SER 61 Cb -0.17 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2d4d s SER 61 CO 0.49 -0.07 0.09 -0.36 0.41 0.00 0.00 173.24 173.79 2d4d s PHE 62 N -1.69 3.10 -0.04 2.43 0.08 0.36 -1.13 117.98 121.08 2d4d s PHE 62 Ca 0.49 -0.01 -0.00 0.00 0.12 0.00 0.00 56.93 57.52 2d4d s PHE 62 Cb -0.15 -1.52 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 2d4d s PHE 62 CO 0.20 0.51 0.01 0.71 -0.10 0.00 0.00 175.22 176.55 2d4d s TYR 63 N -1.61 0.38 -0.11 0.36 1.51 -0.20 -0.94 117.35 116.74 2d4d s TYR 63 Ca 0.29 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.35 2d4d s TYR 63 Cb -0.11 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 2d4d s TYR 63 CO 0.22 -0.19 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.19 2d4d s LEU 64 N 1.42 1.42 -0.35 -1.29 2.96 0.88 -1.57 118.68 122.14 2d4d s LEU 64 Ca -0.04 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 2d4d s LEU 64 Cb -0.13 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 2d4d s LEU 64 CO -0.03 -0.06 0.32 -0.22 -1.32 0.00 0.00 176.35 175.04 2d4d s LEU 65 N 1.39 4.53 -0.23 -0.68 2.96 0.15 -0.31 118.68 126.50 2d4d s LEU 65 Ca 0.00 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2d4d s LEU 65 Cb -0.13 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 2d4d s LEU 65 CO -0.06 -0.32 -0.02 -0.47 -1.32 0.00 0.00 176.35 174.17 2d4d s TYR 66 N 1.89 2.99 0.04 5.38 5.04 -0.45 -0.71 117.35 131.53 2d4d s TYR 66 Ca 0.09 -0.83 -0.09 0.00 -2.44 0.00 0.00 57.07 53.80 2d4d s TYR 66 Cb -0.17 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.01 2d4d s TYR 66 CO 0.11 -0.51 0.19 1.52 -1.34 0.00 0.00 175.55 175.52 2d4d s TYR 67 N 1.51 0.07 -0.09 4.97 1.13 -0.44 -0.18 117.35 124.33 2d4d s TYR 67 Ca 0.06 -0.32 -0.25 0.00 -1.41 0.00 0.00 57.07 55.15 2d4d s TYR 67 Cb -0.14 -0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.73 2d4d s TYR 67 CO -0.02 -0.43 0.59 -0.08 -2.51 0.00 0.00 175.55 173.10 2d4d s THR 68 N -2.66 0.01 0.44 -3.49 -1.32 -0.57 -2.55 115.64 105.50 2d4d s THR 68 Ca -0.04 -0.10 -0.25 0.00 -1.21 0.00 0.00 61.69 60.10 2d4d s THR 68 Cb -0.01 -0.89 -0.08 0.00 -1.51 0.00 0.00 72.50 70.02 2d4d s THR 68 CO -0.04 -0.05 1.26 -0.70 -2.21 0.00 0.00 174.62 172.87 2d4d s GLU 69 N -0.83 3.81 0.16 7.08 2.12 -1.26 -0.34 118.70 129.44 2d4d s GLU 69 Ca -0.09 2.03 -0.14 0.00 0.36 0.00 0.00 54.97 57.13 2d4d s GLU 69 Cb -0.02 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.80 2d4d s GLU 69 CO 0.06 -0.58 0.39 -0.59 -0.54 0.00 0.00 175.26 174.01 2d4d s PHE 70 N -1.36 0.05 -0.41 5.30 -0.71 -0.12 -4.80 117.98 115.94 2d4d s PHE 70 Ca 0.61 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 56.12 2d4d s PHE 70 Cb -0.35 0.18 0.12 0.00 -1.21 0.00 0.00 43.02 41.76 2d4d s PHE 70 CO 0.44 -0.78 0.15 0.99 -1.34 0.00 0.00 175.22 174.68 2d4d s THR 71 N -3.89 2.04 0.41 -4.49 2.01 -1.26 -4.29 115.64 106.17 2d4d s THR 71 Ca 0.10 -2.56 -0.24 0.00 0.31 0.00 0.00 61.69 59.31 2d4d s THR 71 Cb 0.01 -2.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.96 2d4d s THR 71 CO -0.05 -0.72 1.04 -2.16 -0.69 0.00 0.00 174.62 172.05 2d4d s PRO 72 N 0.53 4.14 0.33 4.92 0.04 -1.26 -5.09 135.00 138.62 2d4d s PRO 72 Ca 0.14 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.73 2d4d s PRO 72 Cb -0.22 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 2d4d s PRO 72 CO -0.07 -0.16 0.34 0.99 0.04 0.00 0.00 177.00 178.14 2d4d s THR 73 N -1.71 3.68 0.20 1.26 2.01 -1.26 -5.04 115.64 114.78 2d4d s THR 73 Ca 0.59 -1.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2d4d s THR 73 Cb -0.21 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2d4d s THR 73 CO 0.26 -0.17 1.58 -0.33 -0.69 0.00 0.00 174.62 175.27 2d4d h GLU 74 N 1.16 0.74 0.00 4.92 5.08 -2.07 -3.30 114.58 121.12 2d4d h GLU 74 Ca -0.45 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2d4d h GLU 74 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2d4d h GLU 74 CO 0.57 0.96 -0.48 1.57 -1.00 0.00 0.00 179.01 180.63 2d4d h LYS 75 N 0.63 0.00 -6.32 2.33 2.10 -2.04 -3.46 116.57 109.81 2d4d h LYS 75 Ca 0.07 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.18 2d4d h LYS 75 Cb 0.85 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.14 2d4d h LYS 75 CO 0.07 0.00 0.19 -0.51 -2.00 0.00 0.00 179.45 177.21 2d4d s ASP 76 N -5.46 7.24 -0.39 7.07 1.01 -1.24 -5.04 116.67 119.85 2d4d s ASP 76 Ca 0.04 1.48 -0.09 0.00 0.71 0.00 0.00 52.55 54.70 2d4d s ASP 76 Cb 0.09 -2.49 0.06 0.00 1.01 0.00 0.00 42.92 41.59 2d4d s ASP 76 CO 0.72 -0.02 0.21 -0.70 0.21 0.00 0.00 175.17 175.58 2d4d s GLU 77 N 0.09 2.64 0.05 8.23 2.12 -1.26 -4.70 118.70 125.87 2d4d s GLU 77 Ca 0.40 -1.32 -0.10 0.00 0.36 0.00 0.00 54.97 54.32 2d4d s GLU 77 Cb -0.21 -3.68 -0.06 0.00 0.26 0.00 0.00 34.13 30.45 2d4d s GLU 77 CO 0.24 -0.83 0.37 0.71 -0.54 0.00 0.00 175.26 175.21 2d4d s TYR 78 N 1.44 3.60 0.03 5.30 1.51 -1.26 0.27 117.35 128.23 2d4d s TYR 78 Ca 0.02 0.76 -0.11 0.00 -1.01 0.00 0.00 57.07 56.73 2d4d s TYR 78 Cb -0.21 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 2d4d s TYR 78 CO 0.03 0.56 0.23 0.00 -1.11 0.00 0.00 175.55 175.26 2d4d s ALA 79 N -1.33 -0.50 -0.17 3.71 0.00 -0.97 -0.43 121.76 122.07 2d4d s ALA 79 Ca 0.30 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 2d4d s ALA 79 Cb -0.14 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2d4d s ALA 79 CO 0.17 -0.33 0.06 0.00 0.00 0.00 0.00 175.76 175.66 2d4d s ARG 81 N 0.12 3.41 -0.10 0.00 3.52 0.04 -0.73 118.95 125.21 2d4d s ARG 81 Ca 0.05 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 2d4d s ARG 81 Cb -0.12 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 2d4d s ARG 81 CO 0.01 0.08 -0.21 0.08 -0.81 0.00 0.00 175.30 174.44 2d4d s VAL 82 N 0.72 1.88 -0.12 7.11 1.01 -0.15 -1.38 120.40 129.47 2d4d s VAL 82 Ca -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2d4d s VAL 82 Cb -0.15 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 2d4d s VAL 82 CO 0.02 0.52 -0.19 0.20 0.00 0.00 0.00 175.10 175.65 2d4d s ASN 83 N 0.48 3.49 0.03 3.32 0.01 0.31 -0.43 114.94 122.15 2d4d s ASN 83 Ca -0.16 -0.47 -0.18 0.00 -0.71 0.00 0.00 52.86 51.34 2d4d s ASN 83 Cb -0.17 -1.50 0.03 0.00 0.41 0.00 0.00 41.25 40.02 2d4d s ASN 83 CO 0.06 0.15 0.39 -2.28 -1.51 0.00 0.00 177.10 173.92 2d4d s HIS 84 N 0.42 -0.25 0.57 2.20 2.46 -1.26 -1.31 115.29 118.12 2d4d s HIS 84 Ca -0.14 0.24 0.27 0.00 0.47 0.00 0.00 55.06 55.90 2d4d s HIS 84 Cb -0.17 0.19 1.67 0.00 -0.13 0.00 0.00 32.58 34.14 2d4d s HIS 84 CO 0.06 -0.53 2.19 -0.24 -2.47 0.00 0.00 174.74 173.75 2d4d h VAL 85 N 3.18 0.61 0.00 0.89 3.04 -1.94 -0.60 116.25 121.42 2d4d h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2d4d h VAL 85 Cb 1.20 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2d4d h VAL 85 CO 0.43 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.34 2d4d n THR 86 N -3.99 0.40 -3.78 3.17 -2.24 -1.26 -4.70 114.28 101.88 2d4d n THR 86 Ca -0.01 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 2d4d n THR 86 Cb 0.16 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 67.62 2d4d n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2d4d s LEU 87 N -3.74 3.95 0.37 3.22 1.43 -0.24 -4.97 118.68 118.71 2d4d s LEU 87 Ca 0.11 -0.90 0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2d4d s LEU 87 Cb 0.15 -1.85 0.73 0.00 0.03 0.00 0.00 46.19 45.25 2d4d s LEU 87 CO 0.52 -0.24 1.85 0.77 0.23 0.00 0.00 176.35 179.48 2d4d h SER 88 N 8.20 0.08 -3.75 2.29 4.64 -1.84 -3.42 113.55 119.75 2d4d h SER 88 Ca -0.28 -0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.35 2d4d h SER 88 Cb 1.11 -0.02 -0.21 0.00 -0.31 0.00 0.00 62.40 62.97 2d4d h SER 88 CO 0.60 0.39 -0.85 -1.58 -0.87 0.00 0.00 176.83 174.51 2d4d s GLN 89 N -4.34 1.39 0.20 4.77 0.74 -1.26 -5.11 119.66 116.05 2d4d s GLN 89 Ca -0.04 -1.38 -0.32 0.00 0.05 0.00 0.00 55.36 53.67 2d4d s GLN 89 Cb 0.15 -1.81 -0.13 0.00 1.10 0.00 0.00 33.01 32.32 2d4d s GLN 89 CO 0.73 0.42 1.63 -2.30 -0.55 0.00 0.00 175.29 175.22 2d4d n PRO 90 N 0.75 2.48 -3.10 1.67 -0.02 -1.26 -4.90 135.00 130.62 2d4d n PRO 90 Ca -0.17 0.89 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 2d4d n PRO 90 Cb 0.54 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 2d4d n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2d4d s LYS 91 N 0.77 4.19 -0.23 -0.52 2.20 0.43 -4.89 119.74 121.69 2d4d s LYS 91 Ca 0.75 0.63 -0.07 0.00 -0.36 0.00 0.00 55.97 56.92 2d4d s LYS 91 Cb -0.58 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 2d4d s LYS 91 CO 0.37 -0.30 0.07 0.42 -0.36 0.00 0.00 175.35 175.55 2d4d s ILE 92 N 2.10 4.45 -0.22 5.43 1.01 -1.26 -0.98 121.20 131.72 2d4d s ILE 92 Ca 0.29 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2d4d s ILE 92 Cb -0.16 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.30 2d4d s ILE 92 CO 0.10 0.38 -0.15 -0.69 0.00 0.00 0.00 174.94 174.58 2d4d s VAL 93 N 1.21 2.09 0.45 2.92 1.01 0.09 -4.96 120.40 123.21 2d4d s VAL 93 Ca 0.05 -1.32 -0.23 0.00 0.00 0.00 0.00 61.98 60.48 2d4d s VAL 93 Cb -0.14 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.09 2d4d s VAL 93 CO 0.03 0.21 1.11 -0.54 0.00 0.00 0.00 175.10 175.92 2d4d s LYS 94 N 1.20 3.84 0.00 2.72 1.02 -1.26 -0.76 119.74 126.50 2d4d s LYS 94 Ca -0.03 1.64 0.18 0.00 0.02 0.00 0.00 55.97 57.78 2d4d s LYS 94 Cb -0.17 -2.37 1.09 0.00 -0.52 0.00 0.00 37.83 35.85 2d4d s LYS 94 CO -0.08 -0.45 1.48 0.34 -0.92 0.00 0.00 175.35 175.72