#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nx5 s GLN 2 N 0.00 0.54 0.01 6.28 0.74 -1.26 -4.48 119.66 121.49 2nx5 s GLN 2 Ca 0.00 0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.52 2nx5 s GLN 2 Cb 0.00 -0.84 -0.01 0.00 1.10 0.00 0.00 33.01 33.26 2nx5 s GLN 2 CO 0.00 -0.24 -0.07 1.03 -0.55 0.00 0.00 175.29 175.46 2nx5 s ARG 3 N 1.67 0.51 -0.11 1.67 0.52 -0.86 -4.95 118.95 117.39 2nx5 s ARG 3 Ca 0.00 -0.38 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 2nx5 s ARG 3 Cb -0.13 -0.44 -0.04 0.00 0.52 0.00 0.00 34.95 34.87 2nx5 s ARG 3 CO -0.04 0.11 0.56 -0.08 0.02 0.00 0.00 175.30 175.87 2nx5 s THR 4 N -0.51 5.13 0.06 0.02 -1.32 -1.26 -2.53 115.64 115.24 2nx5 s THR 4 Ca -0.01 1.12 -0.30 0.00 -1.21 0.00 0.00 61.69 61.29 2nx5 s THR 4 Cb -0.05 -3.90 -0.08 0.00 -1.51 0.00 0.00 72.50 66.96 2nx5 s THR 4 CO 0.00 0.28 1.74 -2.16 -2.21 0.00 0.00 174.62 172.27 2nx5 s PRO 5 N 0.79 4.17 0.38 7.08 0.04 -1.26 -4.39 135.00 141.81 2nx5 s PRO 5 Ca 0.30 2.41 -0.24 0.00 0.04 0.00 0.00 61.00 63.51 2nx5 s PRO 5 Cb -0.16 -3.75 -0.10 0.00 0.04 0.00 0.00 34.50 30.54 2nx5 s PRO 5 CO 0.13 -0.81 1.00 0.15 0.04 0.00 0.00 177.00 177.51 2nx5 s LYS 6 N 3.17 4.30 -0.03 4.56 1.02 0.24 -4.87 119.74 128.13 2nx5 s LYS 6 Ca 0.78 1.38 0.03 0.00 0.02 0.00 0.00 55.97 58.17 2nx5 s LYS 6 Cb -0.40 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2nx5 s LYS 6 CO 0.34 0.01 -0.10 0.42 -0.92 0.00 0.00 175.35 175.10 2nx5 s ILE 7 N -1.74 0.90 -0.03 2.17 1.01 -1.26 -1.53 121.20 120.71 2nx5 s ILE 7 Ca 0.56 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.81 2nx5 s ILE 7 Cb -0.19 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.50 2nx5 s ILE 7 CO 0.24 0.28 -0.02 -1.10 0.00 0.00 0.00 174.94 174.34 2nx5 s GLN 8 N 0.29 0.49 -0.09 2.79 -0.21 -0.82 -4.98 119.66 117.13 2nx5 s GLN 8 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.33 2nx5 s GLN 8 Cb -0.10 -0.60 -0.03 0.00 1.00 0.00 0.00 33.01 33.28 2nx5 s GLN 8 CO 0.01 -0.10 -0.09 0.08 -2.12 0.00 0.00 175.29 173.06 2nx5 s VAL 9 N 0.93 3.46 0.04 1.09 1.01 -1.26 0.03 120.40 125.71 2nx5 s VAL 9 Ca -0.10 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 2nx5 s VAL 9 Cb -0.14 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 33.91 2nx5 s VAL 9 CO -0.01 0.56 1.02 -0.72 0.00 0.00 0.00 175.10 175.95 2nx5 s TYR 10 N -0.34 -0.18 0.18 5.22 1.13 -0.61 -4.71 117.35 118.04 2nx5 s TYR 10 Ca 0.04 -0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.69 2nx5 s TYR 10 Cb -0.12 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2nx5 s TYR 10 CO 0.02 -0.59 0.36 -1.54 -2.51 0.00 0.00 175.55 171.29 2nx5 s SER 11 N -2.73 6.37 0.04 -0.18 1.04 -1.26 -0.37 113.70 116.62 2nx5 s SER 11 Ca 0.10 0.33 -0.25 0.00 0.48 0.00 0.00 55.95 56.61 2nx5 s SER 11 Cb -0.00 -1.98 -0.17 0.00 0.10 0.00 0.00 66.02 63.97 2nx5 s SER 11 CO -0.03 -0.01 1.51 -0.09 0.98 0.00 0.00 173.24 175.60 2nx5 h ARG 12 N 2.06 -0.15 -6.24 4.02 2.43 -1.67 -3.44 114.38 111.39 2nx5 h ARG 12 Ca -0.48 0.01 -0.56 0.00 -0.81 0.00 0.00 59.98 58.14 2nx5 h ARG 12 Cb 1.19 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.68 2nx5 h ARG 12 CO 0.68 0.07 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.56 2nx5 s HIS 13 N -5.39 2.74 0.25 2.20 3.76 -1.26 -5.06 115.29 112.54 2nx5 s HIS 13 Ca -0.14 -0.20 -0.28 0.00 -0.15 0.00 0.00 55.06 54.28 2nx5 s HIS 13 Cb 0.04 -1.24 -0.15 0.00 1.11 0.00 0.00 32.58 32.34 2nx5 s HIS 13 CO 0.64 0.59 0.84 -2.30 -0.85 0.00 0.00 174.74 173.67 2nx5 n PRO 14 N -0.76 0.85 -2.33 8.40 -0.02 -1.26 -4.84 135.00 135.04 2nx5 n PRO 14 Ca -0.07 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 2nx5 n PRO 14 Cb 0.58 -1.54 -0.02 0.00 -0.02 0.00 0.00 33.50 32.50 2nx5 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nx5 s ALA 15 N -0.98 3.36 -0.25 3.55 0.00 -1.26 -4.98 121.76 121.19 2nx5 s ALA 15 Ca 0.62 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2nx5 s ALA 15 Cb -0.80 -3.79 0.07 0.00 0.00 0.00 0.00 23.12 18.61 2nx5 s ALA 15 CO 0.58 -1.78 -0.00 -1.21 0.00 0.00 0.00 175.76 173.36 2nx5 s GLU 16 N 4.26 1.26 0.02 0.00 2.02 -1.26 -5.11 118.70 119.90 2nx5 s GLU 16 Ca 0.61 -0.98 -0.37 0.00 0.02 0.00 0.00 54.97 54.24 2nx5 s GLU 16 Cb -0.19 -2.45 -0.17 0.00 0.10 0.00 0.00 34.13 31.42 2nx5 s GLU 16 CO 0.24 -0.71 1.40 0.09 0.02 0.00 0.00 175.26 176.30 2nx5 n ASN 17 N 4.74 1.71 0.00 -0.19 3.02 -1.26 -2.10 115.26 121.18 2nx5 n ASN 17 Ca -0.08 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 2nx5 n ASN 17 Cb 0.44 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 2nx5 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nx5 n GLY 18 N 2.77 2.99 3.75 7.41 0.00 -1.16 -5.05 105.19 115.89 2nx5 n GLY 18 Ca 0.20 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2nx5 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nx5 s LYS 19 N 0.00 4.68 0.21 1.61 2.20 -0.89 -4.98 119.74 122.58 2nx5 s LYS 19 Ca 0.00 1.34 -0.30 0.00 -0.36 0.00 0.00 55.97 56.65 2nx5 s LYS 19 Cb 0.00 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 2nx5 s LYS 19 CO 0.00 0.38 1.21 -1.54 -0.36 0.00 0.00 175.35 175.03 2nx5 s SER 20 N -0.54 7.06 0.00 1.43 1.04 -1.26 -4.40 113.70 117.03 2nx5 s SER 20 Ca 0.42 2.30 0.00 0.00 0.48 0.00 0.00 55.95 59.15 2nx5 s SER 20 Cb -0.23 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2nx5 s SER 20 CO 0.28 -0.37 0.00 -3.20 0.98 0.00 0.00 173.24 170.93 2nx5 n ASN 21 N 2.17 0.10 -3.96 7.02 2.85 0.13 -4.98 115.26 118.59 2nx5 n ASN 21 Ca 0.03 -0.39 -0.23 0.00 -0.11 0.00 0.00 54.58 53.88 2nx5 n ASN 21 Cb 0.44 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.30 2nx5 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2nx5 s PHE 22 N -1.31 1.16 -0.11 1.20 0.40 -1.26 -1.51 117.98 116.54 2nx5 s PHE 22 Ca 0.00 -0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 2nx5 s PHE 22 Cb 0.00 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 2nx5 s PHE 22 CO 0.00 -0.26 0.57 -1.17 0.70 0.00 0.00 175.22 175.05 2nx5 s LEU 23 N 0.88 4.27 -0.05 -0.37 2.96 0.43 -1.56 118.68 125.24 2nx5 s LEU 23 Ca -0.11 0.93 0.06 0.00 -0.22 0.00 0.00 54.13 54.79 2nx5 s LEU 23 Cb -0.15 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 2nx5 s LEU 23 CO 0.01 -0.08 -0.23 0.20 -1.32 0.00 0.00 176.35 174.93 2nx5 s ASN 24 N 0.77 2.83 -0.28 3.68 0.01 0.50 -1.75 114.94 120.70 2nx5 s ASN 24 Ca 0.30 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 52.01 2nx5 s ASN 24 Cb -0.16 -0.72 0.07 0.00 0.41 0.00 0.00 41.25 40.85 2nx5 s ASN 24 CO 0.13 0.23 -0.07 0.00 -1.51 0.00 0.00 177.10 175.87 2nx5 s TYR 26 N 1.07 3.10 -0.25 0.00 5.04 0.10 -2.45 117.35 123.96 2nx5 s TYR 26 Ca -0.05 -0.70 -0.10 0.00 -2.44 0.00 0.00 57.07 53.79 2nx5 s TYR 26 Cb -0.20 -3.49 -0.04 0.00 0.35 0.00 0.00 41.96 38.58 2nx5 s TYR 26 CO -0.05 -0.99 0.14 0.14 -1.34 0.00 0.00 175.55 173.45 2nx5 s VAL 27 N 2.35 5.04 0.18 3.14 -7.23 -0.78 -1.95 120.40 121.15 2nx5 s VAL 27 Ca 0.12 0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 2nx5 s VAL 27 Cb -0.21 -3.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 2nx5 s VAL 27 CO 0.10 0.32 0.16 -0.94 -0.31 0.00 0.00 175.10 174.42 2nx5 s SER 28 N 1.40 0.16 0.00 4.85 1.04 -0.58 -0.49 113.70 120.08 2nx5 s SER 28 Ca 0.07 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2nx5 s SER 28 Cb -0.15 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2nx5 s SER 28 CO 0.07 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2nx5 n GLY 29 N -0.22 0.77 3.90 7.32 0.00 -0.83 0.83 105.19 116.96 2nx5 n GLY 29 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2nx5 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nx5 s PHE 30 N -3.09 3.53 -0.11 1.61 -0.12 -1.23 -4.15 117.98 114.42 2nx5 s PHE 30 Ca 0.00 0.42 -0.07 0.00 -0.05 0.00 0.00 56.93 57.23 2nx5 s PHE 30 Cb 0.00 -1.89 0.04 0.00 -0.63 0.00 0.00 43.02 40.54 2nx5 s PHE 30 CO 0.00 0.58 0.27 -1.58 -0.05 0.00 0.00 175.22 174.43 2nx5 s HIS 31 N -1.44 -0.34 0.00 3.49 2.46 -1.05 -1.69 115.29 116.73 2nx5 s HIS 31 Ca 0.32 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.65 2nx5 s HIS 31 Cb -0.13 0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.41 2nx5 s HIS 31 CO 0.22 -0.21 0.00 -0.35 -2.47 0.00 0.00 174.74 171.93 2nx5 n PRO 32 N 3.75 0.59 0.07 2.88 -0.05 -1.26 -2.03 135.00 138.95 2nx5 n PRO 32 Ca -0.20 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.12 2nx5 n PRO 32 Cb 0.55 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.92 2nx5 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2nx5 h SER 33 N 0.00 -0.19 -1.30 3.54 4.64 -2.00 -3.45 113.55 114.80 2nx5 h SER 33 Ca 0.00 -0.33 -0.73 0.00 -0.47 0.00 0.00 61.79 60.26 2nx5 h SER 33 Cb 0.00 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2nx5 h SER 33 CO 0.00 0.27 1.05 0.47 -0.87 0.00 0.00 176.83 177.75 2nx5 n ASP 34 N -4.98 2.17 -4.01 4.97 8.00 -1.26 -4.96 116.55 116.49 2nx5 n ASP 34 Ca -0.09 0.90 -0.12 0.00 0.71 0.00 0.00 54.79 56.20 2nx5 n ASP 34 Cb 0.26 -1.14 -0.12 0.00 -0.02 0.00 0.00 41.12 40.10 2nx5 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2nx5 s ILE 35 N 4.58 0.33 -0.34 0.53 2.07 -1.26 -4.64 121.20 122.48 2nx5 s ILE 35 Ca 1.03 -0.86 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 2nx5 s ILE 35 Cb -1.07 -0.41 0.09 0.00 0.13 0.00 0.00 42.46 41.20 2nx5 s ILE 35 CO 0.63 -0.35 0.05 -0.70 -1.91 0.00 0.00 174.94 172.66 2nx5 s GLU 36 N -1.28 1.70 -0.18 3.50 2.12 -0.37 -5.01 118.70 119.17 2nx5 s GLU 36 Ca -0.10 -1.77 -0.03 0.00 0.36 0.00 0.00 54.97 53.43 2nx5 s GLU 36 Cb -0.09 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 2nx5 s GLU 36 CO -0.00 -0.89 -0.06 0.08 -0.54 0.00 0.00 175.26 173.84 2nx5 s VAL 37 N 0.98 3.40 -0.01 3.70 1.01 -1.26 -1.04 120.40 127.18 2nx5 s VAL 37 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2nx5 s VAL 37 Cb -0.20 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 2nx5 s VAL 37 CO -0.07 0.46 -0.06 -1.81 0.00 0.00 0.00 175.10 173.63 2nx5 s ASP 38 N 0.95 0.75 -0.13 3.32 1.01 0.07 -5.00 116.67 117.64 2nx5 s ASP 38 Ca -0.01 -0.11 -0.06 0.00 0.71 0.00 0.00 52.55 53.08 2nx5 s ASP 38 Cb -0.15 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.61 2nx5 s ASP 38 CO 0.00 0.06 0.09 -0.76 0.21 0.00 0.00 175.17 174.77 2nx5 s LEU 39 N 0.01 4.08 -0.05 1.23 1.43 -1.26 0.80 118.68 124.92 2nx5 s LEU 39 Ca 0.00 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2nx5 s LEU 39 Cb -0.04 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2nx5 s LEU 39 CO -0.00 0.34 -0.23 -0.76 0.23 0.00 0.00 176.35 175.93 2nx5 s LEU 40 N -0.62 2.21 -0.22 1.79 1.43 0.11 -1.70 118.68 121.68 2nx5 s LEU 40 Ca 0.12 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2nx5 s LEU 40 Cb -0.12 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.73 2nx5 s LEU 40 CO 0.02 0.28 -0.14 -0.75 0.23 0.00 0.00 176.35 176.00 2nx5 s LYS 41 N -0.39 2.76 0.00 1.70 2.20 -0.68 -0.42 119.74 124.91 2nx5 s LYS 41 Ca 0.03 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 2nx5 s LYS 41 Cb -0.12 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 2nx5 s LYS 41 CO 0.02 -0.35 0.00 0.09 -0.36 0.00 0.00 175.35 174.75 2nx5 n ASN 42 N 4.58 -2.85 0.00 1.43 3.02 0.69 -1.69 115.26 120.44 2nx5 n ASN 42 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2nx5 n ASN 42 Cb 0.47 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 2nx5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nx5 n GLY 43 N -0.84 1.11 3.41 7.41 0.00 -1.26 -5.03 105.19 109.98 2nx5 n GLY 43 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2nx5 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nx5 s GLU 44 N -0.55 2.22 -0.06 1.61 2.02 -0.68 -5.04 118.70 118.21 2nx5 s GLU 44 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 2nx5 s GLU 44 Cb 0.00 -2.19 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 2nx5 s GLU 44 CO 0.00 0.57 1.63 0.50 0.02 0.00 0.00 175.26 177.99 2nx5 s ARG 45 N -0.89 4.17 -0.11 1.61 3.52 -1.26 -1.69 118.95 124.30 2nx5 s ARG 45 Ca 0.12 2.15 -0.28 0.00 -0.13 0.00 0.00 55.73 57.58 2nx5 s ARG 45 Cb -0.10 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.30 2nx5 s ARG 45 CO 0.01 -0.85 0.93 0.42 -0.81 0.00 0.00 175.30 175.00 2nx5 s ILE 46 N 4.04 4.84 0.50 4.11 1.01 -0.69 -4.97 121.20 130.05 2nx5 s ILE 46 Ca 0.72 1.88 -0.11 0.00 0.00 0.00 0.00 60.65 63.15 2nx5 s ILE 46 Cb -0.32 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 2nx5 s ILE 46 CO 0.29 0.05 0.89 -0.70 0.00 0.00 0.00 174.94 175.46 2nx5 s GLU 47 N 1.83 3.72 -0.73 2.79 2.12 -1.26 -4.40 118.70 122.76 2nx5 s GLU 47 Ca 0.45 0.59 -0.02 0.00 0.36 0.00 0.00 54.97 56.35 2nx5 s GLU 47 Cb -0.18 -2.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.94 2nx5 s GLU 47 CO 0.18 -0.26 0.62 1.63 -0.54 0.00 0.00 175.26 176.88 2nx5 n LYS 48 N -1.95 -2.97 -3.26 4.30 5.02 -1.26 -5.02 118.16 113.03 2nx5 n LYS 48 Ca 0.04 0.55 -0.43 0.00 -2.02 0.00 0.00 58.31 56.45 2nx5 n LYS 48 Cb 0.54 -4.50 -0.08 0.00 -0.02 0.00 0.00 35.03 30.97 2nx5 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2nx5 s VAL 49 N -3.24 5.01 0.43 -0.18 1.01 -1.26 -4.82 120.40 117.35 2nx5 s VAL 49 Ca 0.14 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 2nx5 s VAL 49 Cb -0.02 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2nx5 s VAL 49 CO 0.47 -0.45 0.82 -1.61 0.00 0.00 0.00 175.10 174.33 2nx5 s GLU 50 N 2.34 3.82 0.07 2.72 2.02 -1.09 -4.90 118.70 123.69 2nx5 s GLU 50 Ca 0.15 0.59 0.02 0.00 0.02 0.00 0.00 54.97 55.75 2nx5 s GLU 50 Cb -0.16 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 2nx5 s GLU 50 CO 0.15 -0.09 -0.07 -3.38 0.02 0.00 0.00 175.26 171.89 2nx5 s HIS 51 N -2.43 0.77 0.94 1.61 -3.43 -1.26 -1.54 115.29 109.96 2nx5 s HIS 51 Ca 0.53 -0.75 -0.13 0.00 -0.80 0.00 0.00 55.06 53.91 2nx5 s HIS 51 Cb -0.10 -0.46 0.16 0.00 -1.43 0.00 0.00 32.58 30.75 2nx5 s HIS 51 CO 0.31 -0.13 1.16 -1.54 -2.00 0.00 0.00 174.74 172.53 2nx5 s SER 52 N -2.42 3.25 0.15 7.38 1.04 0.62 -4.98 113.70 118.74 2nx5 s SER 52 Ca 0.02 0.85 -0.28 0.00 0.48 0.00 0.00 55.95 57.02 2nx5 s SER 52 Cb -0.01 -1.32 -0.07 0.00 0.10 0.00 0.00 66.02 64.71 2nx5 s SER 52 CO -0.03 -2.70 0.88 -1.81 0.98 0.00 0.00 173.24 170.56 2nx5 s ASP 53 N -4.13 7.47 -0.07 7.02 1.01 -1.26 -4.76 116.67 121.95 2nx5 s ASP 53 Ca 0.66 1.75 -0.37 0.00 0.71 0.00 0.00 52.55 55.29 2nx5 s ASP 53 Cb -0.13 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.10 2nx5 s ASP 53 CO 0.53 0.08 1.60 -0.11 0.21 0.00 0.00 175.17 177.48 2nx5 n LEU 54 N 2.15 2.36 -3.86 1.23 7.94 -1.26 -4.92 117.00 120.64 2nx5 n LEU 54 Ca -0.02 1.08 -0.09 0.00 -1.11 0.00 0.00 56.01 55.87 2nx5 n LEU 54 Cb 0.49 -1.22 -0.07 0.00 0.53 0.00 0.00 43.42 43.14 2nx5 n LEU 54 CO 0.49 -0.58 -0.03 -0.55 -1.11 0.00 0.00 177.39 175.61 2nx5 s SER 55 N 2.23 0.04 0.18 1.96 0.15 -1.25 -5.06 113.70 111.96 2nx5 s SER 55 Ca 0.90 -0.67 -0.00 0.00 0.70 0.00 0.00 55.95 56.88 2nx5 s SER 55 Cb -0.93 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 2nx5 s SER 55 CO 0.54 -0.80 0.08 0.72 1.20 0.00 0.00 173.24 174.98 2nx5 s PHE 56 N -3.89 1.11 0.52 3.44 -0.71 -1.26 -1.19 117.98 116.01 2nx5 s PHE 56 Ca 0.08 -1.26 0.05 0.00 -1.04 0.00 0.00 56.93 54.77 2nx5 s PHE 56 Cb 0.04 -0.60 0.09 0.00 -1.21 0.00 0.00 43.02 41.35 2nx5 s PHE 56 CO -0.08 -0.50 0.72 0.43 -1.34 0.00 0.00 175.22 174.45 2nx5 n SER 57 N -0.23 1.53 -0.26 1.98 7.64 0.14 -4.93 113.62 119.49 2nx5 n SER 57 Ca -0.02 -2.16 0.06 0.00 1.01 0.00 0.00 58.87 57.76 2nx5 n SER 57 Cb 0.65 -0.42 0.29 0.00 -1.01 0.00 0.00 64.21 63.73 2nx5 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2nx5 h LYS 58 N 0.00 0.87 -0.78 1.43 1.57 -2.03 -0.77 116.57 116.86 2nx5 h LYS 58 Ca -0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2nx5 h LYS 58 Cb 1.03 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2nx5 h LYS 58 CO 0.31 0.58 0.00 -0.40 -0.57 0.00 0.00 179.45 179.37 2nx5 n ASP 59 N -4.50 3.22 0.00 0.86 5.75 -1.26 -4.88 116.55 115.74 2nx5 n ASP 59 Ca 0.13 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 2nx5 n ASP 59 Cb 0.24 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 2nx5 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2nx5 n TRP 60 N 0.31 0.00 -2.91 2.11 7.02 -0.30 -5.00 117.44 118.68 2nx5 n TRP 60 Ca 0.13 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.21 2nx5 n TRP 60 Cb 0.69 -0.65 -0.04 0.00 -2.42 0.00 0.00 31.31 28.88 2nx5 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2nx5 s SER 61 N -2.05 7.17 0.59 -0.99 1.04 -1.26 -4.72 113.70 113.47 2nx5 s SER 61 Ca 0.00 1.41 -0.16 0.00 0.48 0.00 0.00 55.95 57.68 2nx5 s SER 61 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2nx5 s SER 61 CO 0.00 -0.15 1.06 -0.36 0.98 0.00 0.00 173.24 174.76 2nx5 s PHE 62 N 0.75 2.99 0.02 5.02 0.08 -0.68 -0.68 117.98 125.48 2nx5 s PHE 62 Ca 0.43 1.51 -0.01 0.00 0.12 0.00 0.00 56.93 58.99 2nx5 s PHE 62 Cb -0.19 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 2nx5 s PHE 62 CO 0.23 -1.09 -0.02 1.52 -0.10 0.00 0.00 175.22 175.76 2nx5 s TYR 63 N -2.42 0.29 -0.06 0.36 -0.85 -0.34 -1.97 117.35 112.37 2nx5 s TYR 63 Ca 0.64 -0.60 -0.10 0.00 -0.52 0.00 0.00 57.07 56.50 2nx5 s TYR 63 Cb -0.16 -0.21 0.02 0.00 0.38 0.00 0.00 41.96 41.99 2nx5 s TYR 63 CO 0.36 -0.23 0.24 -0.51 -1.52 0.00 0.00 175.55 173.88 2nx5 s LEU 64 N -1.71 1.12 -0.20 -3.49 1.43 0.36 -3.77 118.68 112.42 2nx5 s LEU 64 Ca -0.12 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2nx5 s LEU 64 Cb -0.07 0.90 -0.01 0.00 0.03 0.00 0.00 46.19 47.04 2nx5 s LEU 64 CO -0.02 -0.23 -0.05 -0.22 0.23 0.00 0.00 176.35 176.06 2nx5 s LEU 65 N -0.51 2.93 -0.11 1.79 2.96 -1.26 -1.86 118.68 122.61 2nx5 s LEU 65 Ca -0.06 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2nx5 s LEU 65 Cb -0.04 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2nx5 s LEU 65 CO 0.01 0.03 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.72 2nx5 s TYR 66 N 1.20 3.03 0.05 5.38 1.51 -1.03 -0.27 117.35 127.22 2nx5 s TYR 66 Ca 0.02 -0.06 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 2nx5 s TYR 66 Cb -0.14 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 2nx5 s TYR 66 CO -0.01 0.23 0.20 1.52 -1.11 0.00 0.00 175.55 176.37 2nx5 s TYR 67 N -0.38 0.06 -0.15 2.71 1.13 -0.59 -0.93 117.35 119.20 2nx5 s TYR 67 Ca 0.06 -0.31 -0.17 0.00 -1.41 0.00 0.00 57.07 55.25 2nx5 s TYR 67 Cb -0.12 -0.03 0.04 0.00 -1.10 0.00 0.00 41.96 40.75 2nx5 s TYR 67 CO 0.02 -0.45 0.46 -0.08 -2.51 0.00 0.00 175.55 172.99 2nx5 s THR 68 N -2.76 0.01 0.36 -3.49 -1.32 -0.72 -2.66 115.64 105.07 2nx5 s THR 68 Ca -0.04 -0.06 -0.27 0.00 -1.21 0.00 0.00 61.69 60.11 2nx5 s THR 68 Cb -0.00 -0.66 -0.10 0.00 -1.51 0.00 0.00 72.50 70.23 2nx5 s THR 68 CO -0.05 -0.03 1.29 -0.70 -2.21 0.00 0.00 174.62 172.92 2nx5 s GLU 69 N -0.02 4.18 0.35 7.08 2.12 -1.26 -0.43 118.70 130.73 2nx5 s GLU 69 Ca -0.02 2.16 -0.15 0.00 0.36 0.00 0.00 54.97 57.32 2nx5 s GLU 69 Cb -0.03 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.48 2nx5 s GLU 69 CO 0.02 -0.31 0.73 -0.59 -0.54 0.00 0.00 175.26 174.56 2nx5 s PHE 70 N -1.21 0.17 -0.29 5.30 -0.71 -0.57 -4.85 117.98 115.83 2nx5 s PHE 70 Ca 0.53 -0.74 -0.03 0.00 -1.04 0.00 0.00 56.93 55.64 2nx5 s PHE 70 Cb -0.38 0.69 0.11 0.00 -1.21 0.00 0.00 43.02 42.23 2nx5 s PHE 70 CO 0.50 -1.44 0.18 0.99 -1.34 0.00 0.00 175.22 174.11 2nx5 s THR 71 N -2.77 -0.18 0.40 -4.49 2.01 -1.26 0.18 115.64 109.53 2nx5 s THR 71 Ca 0.16 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 2nx5 s THR 71 Cb -0.05 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.39 2nx5 s THR 71 CO 0.11 -0.63 1.49 -2.84 -0.69 0.00 0.00 174.62 172.06 2nx5 s PRO 72 N 2.18 3.99 0.18 4.92 0.02 -1.26 -4.82 135.00 140.21 2nx5 s PRO 72 Ca 0.09 2.56 0.03 0.00 0.02 0.00 0.00 61.00 63.70 2nx5 s PRO 72 Cb -0.15 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 2nx5 s PRO 72 CO -0.35 -0.63 -0.03 0.95 -0.33 0.00 0.00 177.00 176.62 2nx5 s THR 73 N -1.14 0.92 -0.41 0.99 -4.23 -1.26 -3.01 115.64 107.50 2nx5 s THR 73 Ca 0.55 -2.01 0.21 0.00 -1.18 0.00 0.00 61.69 59.25 2nx5 s THR 73 Cb -0.46 -2.08 0.21 0.00 1.34 0.00 0.00 72.50 71.50 2nx5 s THR 73 CO 0.62 -0.53 1.63 -0.62 -0.54 0.00 0.00 174.62 175.18 2nx5 n GLU 74 N -0.27 0.15 -0.13 3.99 1.02 -1.26 -3.38 120.64 120.76 2nx5 n GLU 74 Ca -0.07 0.52 -0.20 0.00 -0.02 0.00 0.00 57.16 57.38 2nx5 n GLU 74 Cb 0.63 -1.87 -0.12 0.00 -0.02 0.00 0.00 31.44 30.06 2nx5 n GLU 74 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nx5 n LYS 75 N -2.16 0.64 -2.46 3.49 5.02 -1.26 -4.92 118.16 116.51 2nx5 n LYS 75 Ca 0.00 0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 56.05 2nx5 n LYS 75 Cb 0.12 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2nx5 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nx5 s ASP 76 N -6.74 7.02 -0.09 4.39 1.01 -1.22 -5.03 116.67 116.01 2nx5 s ASP 76 Ca -0.35 1.75 -0.09 0.00 0.71 0.00 0.00 52.55 54.57 2nx5 s ASP 76 Cb 0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2nx5 s ASP 76 CO 0.59 -0.65 0.21 -1.61 0.21 0.00 0.00 175.17 173.92 2nx5 s GLU 77 N 2.70 3.60 0.10 8.23 2.02 -1.26 -4.54 118.70 129.55 2nx5 s GLU 77 Ca 0.55 0.00 0.09 0.00 0.02 0.00 0.00 54.97 55.63 2nx5 s GLU 77 Cb -0.23 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 2nx5 s GLU 77 CO 0.19 0.73 -0.24 0.71 0.02 0.00 0.00 175.26 176.67 2nx5 s TYR 78 N -0.96 2.06 0.16 1.61 2.02 -1.26 -0.23 117.35 120.75 2nx5 s TYR 78 Ca 0.17 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 2nx5 s TYR 78 Cb -0.13 -1.15 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 2nx5 s TYR 78 CO 0.06 0.23 0.37 0.00 -1.57 0.00 0.00 175.55 174.64 2nx5 s ALA 79 N -1.02 -0.51 -0.05 3.71 0.00 0.45 -0.88 121.76 123.45 2nx5 s ALA 79 Ca 0.10 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.63 2nx5 s ALA 79 Cb -0.10 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2nx5 s ALA 79 CO 0.04 -0.68 -0.19 0.00 0.00 0.00 0.00 175.76 174.94 2nx5 s ARG 81 N 0.09 3.11 -0.09 0.00 3.52 0.24 -1.23 118.95 124.58 2nx5 s ARG 81 Ca -0.06 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2nx5 s ARG 81 Cb -0.13 -2.88 -0.00 0.00 -1.56 0.00 0.00 34.95 30.38 2nx5 s ARG 81 CO 0.03 -0.26 -0.24 0.08 -0.81 0.00 0.00 175.30 174.10 2nx5 s VAL 82 N 1.38 2.04 -0.06 7.11 1.01 -0.44 -0.75 120.40 130.69 2nx5 s VAL 82 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2nx5 s VAL 82 Cb -0.15 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2nx5 s VAL 82 CO -0.06 0.56 -0.11 0.21 0.00 0.00 0.00 175.10 175.69 2nx5 s ASN 83 N 0.28 1.65 0.21 3.32 3.04 -0.20 -1.50 114.94 121.72 2nx5 s ASN 83 Ca -0.17 -0.27 0.00 0.00 0.04 0.00 0.00 52.86 52.46 2nx5 s ASN 83 Cb -0.17 -0.77 -0.05 0.00 -1.54 0.00 0.00 41.25 38.73 2nx5 s ASN 83 CO 0.08 0.02 0.08 -2.28 -3.04 0.00 0.00 177.10 171.96 2nx5 s HIS 84 N 0.73 1.26 0.49 0.43 5.65 -1.26 -1.24 115.29 121.34 2nx5 s HIS 84 Ca -0.14 -1.22 0.23 0.00 0.25 0.00 0.00 55.06 54.18 2nx5 s HIS 84 Cb -0.16 -0.69 1.43 0.00 -1.18 0.00 0.00 32.58 31.98 2nx5 s HIS 84 CO 0.03 -0.44 2.12 -0.24 -0.65 0.00 0.00 174.74 175.56 2nx5 h VAL 85 N 2.59 0.75 0.00 0.89 3.04 -1.96 -2.57 116.25 118.99 2nx5 h VAL 85 Ca -0.37 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 64.95 2nx5 h VAL 85 Cb 1.23 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 2nx5 h VAL 85 CO 0.58 0.08 -0.19 0.71 -1.01 0.00 0.00 177.57 177.75 2nx5 h THR 86 N 0.00 0.38 -3.22 3.17 1.35 -1.92 -3.44 112.91 109.23 2nx5 h THR 86 Ca -0.00 -1.21 -0.59 0.00 -0.55 0.00 0.00 66.41 64.05 2nx5 h THR 86 Cb 0.19 1.92 -0.08 0.00 -1.73 0.00 0.00 68.15 68.45 2nx5 h THR 86 CO 0.01 0.18 -0.23 -0.76 -0.25 0.00 0.00 175.52 174.47 2nx5 s LEU 87 N -6.46 4.31 0.24 3.87 1.43 -0.97 -4.98 118.68 116.12 2nx5 s LEU 87 Ca 0.03 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 2nx5 s LEU 87 Cb 0.08 -2.53 0.27 0.00 0.03 0.00 0.00 46.19 44.04 2nx5 s LEU 87 CO 0.65 0.12 1.58 0.77 0.23 0.00 0.00 176.35 179.70 2nx5 h SER 88 N 6.19 0.32 -4.73 2.29 4.64 -1.85 -3.44 113.55 116.96 2nx5 h SER 88 Ca -0.44 -0.17 -0.16 0.00 -0.47 0.00 0.00 61.79 60.56 2nx5 h SER 88 Cb 1.18 -0.09 -0.22 0.00 -0.31 0.00 0.00 62.40 62.97 2nx5 h SER 88 CO 0.72 0.81 -0.51 0.00 -0.87 0.00 0.00 176.83 176.97 2nx5 s GLN 89 N -3.87 0.41 -0.02 4.77 -2.07 -1.26 -5.12 119.66 112.50 2nx5 s GLN 89 Ca -0.05 -0.29 -0.36 0.00 -1.82 0.00 0.00 55.36 52.85 2nx5 s GLN 89 Cb 0.12 0.17 -0.14 0.00 -1.09 0.00 0.00 33.01 32.07 2nx5 s GLN 89 CO 0.80 -0.09 1.65 -2.30 -1.32 0.00 0.00 175.29 174.03 2nx5 n PRO 90 N 1.78 1.75 -3.19 9.60 -0.02 -1.26 -4.94 135.00 138.71 2nx5 n PRO 90 Ca -0.21 0.64 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 2nx5 n PRO 90 Cb 0.56 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 2nx5 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nx5 s LYS 91 N 2.27 4.37 -0.15 -0.52 2.20 -0.56 -4.92 119.74 122.42 2nx5 s LYS 91 Ca 0.88 0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 57.15 2nx5 s LYS 91 Cb -0.82 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 2nx5 s LYS 91 CO 0.49 0.18 -0.08 0.42 -0.36 0.00 0.00 175.35 176.00 2nx5 s ILE 92 N 0.46 3.39 -0.09 5.43 1.01 -1.26 -1.32 121.20 128.81 2nx5 s ILE 92 Ca 0.32 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.47 2nx5 s ILE 92 Cb -0.17 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2nx5 s ILE 92 CO 0.15 0.50 -0.23 -0.69 0.00 0.00 0.00 174.94 174.67 2nx5 s VAL 93 N 0.54 1.95 0.35 2.92 1.01 -0.37 -5.00 120.40 121.79 2nx5 s VAL 93 Ca -0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 2nx5 s VAL 93 Cb -0.15 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2nx5 s VAL 93 CO 0.03 0.53 0.74 -0.54 0.00 0.00 0.00 175.10 175.86 2nx5 s LYS 94 N 0.36 3.90 -0.52 2.72 1.02 -1.26 -1.21 119.74 124.75 2nx5 s LYS 94 Ca -0.18 0.56 -0.24 0.00 0.02 0.00 0.00 55.97 56.13 2nx5 s LYS 94 Cb -0.18 -2.43 0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2nx5 s LYS 94 CO 0.08 0.09 0.88 -0.46 -0.92 0.00 0.00 175.35 175.02 2nx5 s TRP 95 N -2.13 2.87 -0.27 3.18 -0.00 -0.06 -4.82 118.94 117.70 2nx5 s TRP 95 Ca 0.52 0.01 -0.10 0.00 -0.00 0.00 0.00 56.10 56.53 2nx5 s TRP 95 Cb -0.10 -3.93 -0.05 0.00 -0.00 0.00 0.00 33.47 29.39 2nx5 s TRP 95 CO 0.23 -1.22 0.17 0.34 -0.00 0.00 0.00 176.95 176.47 2nx5 s ASP 96 N 2.63 5.89 0.34 5.86 2.15 -1.26 -4.75 116.67 127.53 2nx5 s ASP 96 Ca 0.30 -0.04 0.26 0.00 0.43 0.00 0.00 52.55 53.50 2nx5 s ASP 96 Cb -0.13 -2.09 1.15 0.00 -0.30 0.00 0.00 42.92 41.55 2nx5 s ASP 96 CO 0.20 -0.05 1.78 0.08 -0.17 0.00 0.00 175.17 177.02 2nx5 h ARG 97 N 8.33 0.00 -0.47 4.34 0.11 -1.95 -1.63 114.38 123.11 2nx5 h ARG 97 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 2nx5 h ARG 97 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2nx5 h ARG 97 CO 0.56 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.38 2nx5 n ASP 98 N -2.43 4.74 0.00 0.08 8.00 -1.26 -4.79 116.55 120.88 2nx5 n ASP 98 Ca 0.01 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2nx5 n ASP 98 Cb 0.21 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2nx5 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04