#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1h s GLU 2 N 0.00 0.96 -0.23 3.17 -1.05 -1.26 -5.03 118.70 115.26 2k1h s GLU 2 Ca 0.00 0.17 -0.37 0.00 -0.15 0.00 0.00 54.97 54.61 2k1h s GLU 2 Cb 0.00 0.45 -0.14 0.00 -0.44 0.00 0.00 34.13 34.00 2k1h s GLU 2 CO 0.00 -0.29 1.86 1.51 0.95 0.00 0.00 175.26 179.29 2k1h n ILE 3 N 1.03 0.39 -0.10 1.83 3.06 -1.26 -4.67 119.36 119.63 2k1h n ILE 3 Ca -0.20 -0.10 -0.23 0.00 -2.50 0.00 0.00 62.75 59.72 2k1h n ILE 3 Cb 0.57 -1.51 -0.12 0.00 0.54 0.00 0.00 39.64 39.12 2k1h n ILE 3 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2k1h n ILE 4 N 5.21 1.57 -3.83 9.51 2.08 -1.15 -5.06 119.36 127.69 2k1h n ILE 4 Ca 0.28 -0.20 -0.09 0.00 0.56 0.00 0.00 62.75 63.29 2k1h n ILE 4 Cb 0.20 -1.95 0.02 0.00 -0.75 0.00 0.00 39.64 37.16 2k1h n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k1h s ALA 5 N -2.42 -0.61 -0.03 -1.39 0.00 -0.73 -5.05 121.76 111.54 2k1h s ALA 5 Ca -0.30 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2k1h s ALA 5 Cb 0.08 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2k1h s ALA 5 CO 0.60 -0.97 -0.09 -1.50 0.00 0.00 0.00 175.76 173.80 2k1h s ILE 6 N -2.38 0.76 -0.39 0.00 2.07 -1.26 -1.25 121.20 118.74 2k1h s ILE 6 Ca 0.17 -0.34 -0.14 0.00 -1.41 0.00 0.00 60.65 58.93 2k1h s ILE 6 Cb -0.05 -0.68 0.01 0.00 0.13 0.00 0.00 42.46 41.88 2k1h s ILE 6 CO 0.12 0.24 0.27 -0.55 -1.91 0.00 0.00 174.94 173.12 2k1h s SER 7 N 0.22 6.04 -0.46 4.50 0.15 0.49 -4.91 113.70 119.73 2k1h s SER 7 Ca -0.03 -0.80 -0.28 0.00 0.70 0.00 0.00 55.95 55.53 2k1h s SER 7 Cb -0.09 -2.14 0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2k1h s SER 7 CO 0.00 -0.39 1.08 -1.61 1.20 0.00 0.00 173.24 173.52 2k1h s GLU 8 N 1.67 3.70 0.81 5.44 2.02 -1.26 -2.87 118.70 128.21 2k1h s GLU 8 Ca 0.05 0.49 -0.07 0.00 0.02 0.00 0.00 54.97 55.47 2k1h s GLU 8 Cb -0.19 -3.90 0.15 0.00 0.10 0.00 0.00 34.13 30.29 2k1h s GLU 8 CO 0.10 -1.31 1.12 0.95 0.02 0.00 0.00 175.26 176.13 2k1h s THR 9 N 4.24 2.09 -2.00 3.63 -4.23 -1.26 -4.91 115.64 113.19 2k1h s THR 9 Ca 0.45 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2k1h s THR 9 Cb -0.08 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 71.08 2k1h s THR 9 CO 0.29 0.00 0.35 -2.65 -0.54 0.00 0.00 174.62 172.07 2k1h n PRO 10 N -3.18 0.21 -2.64 3.99 -0.02 -1.26 -4.71 135.00 127.39 2k1h n PRO 10 Ca 0.15 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.41 2k1h n PRO 10 Cb 0.60 -1.10 0.05 0.00 -0.02 0.00 0.00 33.50 33.03 2k1h n PRO 10 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2k1h s ASN 11 N -1.83 5.10 -0.10 2.55 0.02 -1.26 -5.05 114.94 114.36 2k1h s ASN 11 Ca 0.02 -0.11 0.02 0.00 -1.02 0.00 0.00 52.86 51.77 2k1h s ASN 11 Cb 0.01 -0.67 -0.08 0.00 0.02 0.00 0.00 41.25 40.53 2k1h s ASN 11 CO 0.02 -1.28 -0.08 1.41 0.02 0.00 0.00 177.10 177.19 2k1h n HIS 12 N -2.43 0.00 0.48 2.20 8.25 -1.26 -4.71 115.22 117.75 2k1h n HIS 12 Ca 0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.61 2k1h n HIS 12 Cb 0.60 -0.42 0.02 0.00 1.12 0.00 0.00 29.99 31.31 2k1h n HIS 12 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2k1h n ASN 13 N -2.73 1.61 -4.39 0.41 0.23 -1.26 -4.91 115.26 104.23 2k1h n ASN 13 Ca -0.18 -1.31 -0.33 0.00 -0.53 0.00 0.00 54.58 52.23 2k1h n ASN 13 Cb 0.72 0.23 -0.14 0.00 -2.08 0.00 0.00 39.78 38.51 2k1h n ASN 13 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2k1h s THR 14 N -1.19 3.10 0.02 5.53 2.01 -1.26 -2.58 115.64 121.27 2k1h s THR 14 Ca 0.11 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 2k1h s THR 14 Cb 0.09 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2k1h s THR 14 CO 0.21 0.53 0.07 0.00 -0.69 0.00 0.00 174.62 174.73 2k1h s MET 15 N 0.25 0.46 -0.06 4.92 0.23 -1.16 -4.49 119.30 119.45 2k1h s MET 15 Ca -0.09 -0.60 0.03 0.00 -1.03 0.00 0.00 55.69 54.00 2k1h s MET 15 Cb -0.15 0.18 -0.02 0.00 -1.53 0.00 0.00 34.83 33.30 2k1h s MET 15 CO 0.05 -0.10 -0.14 0.21 -2.03 0.00 0.00 175.02 173.01 2k1h s LYS 16 N -1.87 2.66 -0.22 3.16 2.20 -1.14 -2.53 119.74 122.01 2k1h s LYS 16 Ca -0.11 -0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 54.71 2k1h s LYS 16 Cb -0.06 -2.43 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 2k1h s LYS 16 CO -0.01 0.56 0.14 0.08 -0.36 0.00 0.00 175.35 175.75 2k1h s VAL 17 N -0.56 5.31 -0.16 4.02 1.01 -0.88 -0.38 120.40 128.77 2k1h s VAL 17 Ca 0.08 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 2k1h s VAL 17 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2k1h s VAL 17 CO 0.01 0.40 0.05 -0.55 0.00 0.00 0.00 175.10 175.01 2k1h s SER 18 N 0.69 5.58 -0.08 3.32 0.15 -0.38 -3.22 113.70 119.76 2k1h s SER 18 Ca 0.07 0.11 -0.31 0.00 0.70 0.00 0.00 55.95 56.53 2k1h s SER 18 Cb -0.12 -1.89 0.12 0.00 -1.71 0.00 0.00 66.02 62.41 2k1h s SER 18 CO 0.01 0.23 0.99 -1.48 1.20 0.00 0.00 173.24 174.19 2k1h s LEU 19 N 0.05 -0.30 -0.89 3.45 2.34 -1.23 -1.77 118.68 120.33 2k1h s LEU 19 Ca 0.05 0.07 -0.10 0.00 0.06 0.00 0.00 54.13 54.21 2k1h s LEU 19 Cb -0.12 1.82 0.23 0.00 -0.56 0.00 0.00 46.19 47.56 2k1h s LEU 19 CO 0.01 -0.47 0.83 -0.44 -1.06 0.00 0.00 176.35 175.22 2k1h s SER 20 N -2.14 6.65 0.02 1.48 0.01 -1.26 -4.53 113.70 113.93 2k1h s SER 20 Ca 0.05 -3.09 -0.05 0.00 1.31 0.00 0.00 55.95 54.17 2k1h s SER 20 Cb -0.01 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 2k1h s SER 20 CO -0.06 -0.42 0.25 -1.83 0.41 0.00 0.00 173.24 171.59 2k1h s GLU 21 N -0.45 3.53 -1.03 12.44 -1.05 -1.26 -3.31 118.70 127.57 2k1h s GLU 21 Ca 0.23 -0.18 -0.23 0.00 -0.15 0.00 0.00 54.97 54.63 2k1h s GLU 21 Cb -0.11 -3.05 -0.04 0.00 -0.44 0.00 0.00 34.13 30.48 2k1h s GLU 21 CO -0.08 0.63 1.88 -1.25 0.95 0.00 0.00 175.26 177.39 2k1h s PRO 22 N -1.98 2.72 -0.41 -4.83 0.04 -1.26 -4.84 135.00 124.45 2k1h s PRO 22 Ca 0.30 -0.77 0.01 0.00 0.04 0.00 0.00 61.00 60.58 2k1h s PRO 22 Cb -0.13 -5.18 0.14 0.00 0.04 0.00 0.00 34.50 29.37 2k1h s PRO 22 CO 0.19 -3.40 0.23 1.03 0.04 0.00 0.00 177.00 175.09 2k1h s ARG 23 N 6.46 1.00 -0.19 4.56 1.81 -1.26 -4.95 118.95 126.38 2k1h s ARG 23 Ca 0.66 -1.75 0.10 0.00 -1.72 0.00 0.00 55.73 53.02 2k1h s ARG 23 Cb -0.03 -1.92 0.61 0.00 -0.45 0.00 0.00 34.95 33.16 2k1h s ARG 23 CO 0.04 -1.18 1.45 0.00 -0.68 0.00 0.00 175.30 174.93 2k1h n GLN 24 N 3.72 3.82 0.00 3.54 10.64 -1.26 -3.82 117.38 134.02 2k1h n GLN 24 Ca 0.10 -2.36 0.00 0.00 -1.83 0.00 0.00 57.00 52.91 2k1h n GLN 24 Cb 0.36 -2.07 0.00 0.00 -0.86 0.00 0.00 30.24 27.67 2k1h n GLN 24 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2k1h n ASP 25 N 0.40 0.16 0.00 2.61 8.00 -1.26 -5.05 116.55 121.41 2k1h n ASP 25 Ca 0.22 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.23 2k1h n ASP 25 Cb 0.99 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 42.45 2k1h n ASP 25 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k1h n ASN 26 N -0.36 0.00 -2.40 -2.24 5.03 -1.25 -4.83 115.26 109.21 2k1h n ASN 26 Ca 0.00 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.44 2k1h n ASN 26 Cb 0.04 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 2k1h n ASN 26 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2k1h n SER 27 N 1.58 -6.49 -4.69 6.41 3.41 -1.26 -4.15 113.62 108.42 2k1h n SER 27 Ca 0.00 1.64 -0.36 0.00 -0.26 0.00 0.00 58.87 59.89 2k1h n SER 27 Cb 0.00 -4.68 -0.09 0.00 -0.26 0.00 0.00 64.21 59.18 2k1h n SER 27 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2k1h s PHE 28 N -0.52 3.36 -0.28 7.33 -0.71 -1.26 -4.36 117.98 121.54 2k1h s PHE 28 Ca -0.06 0.27 -0.18 0.00 -1.04 0.00 0.00 56.93 55.92 2k1h s PHE 28 Cb 0.00 -2.21 0.09 0.00 -1.21 0.00 0.00 43.02 39.69 2k1h s PHE 28 CO 0.17 0.18 0.74 0.99 -1.34 0.00 0.00 175.22 175.96 2k1h s THR 29 N 0.69 0.00 -0.27 -4.49 2.01 -1.16 -5.02 115.64 107.39 2k1h s THR 29 Ca 0.08 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 2k1h s THR 29 Cb -0.12 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2k1h s THR 29 CO 0.01 0.00 0.15 0.28 -0.69 0.00 0.00 174.62 174.37 2k1h s THR 30 N 1.28 5.02 -0.01 -0.82 -1.32 -1.26 -2.91 115.64 115.61 2k1h s THR 30 Ca -0.07 0.07 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2k1h s THR 30 Cb -0.05 -3.38 0.02 0.00 -1.51 0.00 0.00 72.50 67.58 2k1h s THR 30 CO -0.14 0.28 0.02 -0.72 -2.21 0.00 0.00 174.62 171.85 2k1h s TYR 31 N 1.70 0.01 -0.10 9.09 1.13 -1.22 -4.90 117.35 123.06 2k1h s TYR 31 Ca 0.07 0.10 -0.03 0.00 -1.41 0.00 0.00 57.07 55.80 2k1h s TYR 31 Cb -0.16 -0.15 0.04 0.00 -1.10 0.00 0.00 41.96 40.59 2k1h s TYR 31 CO 0.09 -0.06 0.05 -0.08 -2.51 0.00 0.00 175.55 173.04 2k1h s THR 32 N 0.71 0.09 0.00 -3.49 -1.32 -1.26 -4.46 115.64 105.91 2k1h s THR 32 Ca -0.06 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2k1h s THR 32 Cb -0.08 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 2k1h s THR 32 CO -0.02 0.04 0.00 0.00 -2.21 0.00 0.00 174.62 172.43 2k1h n ALA 33 N 5.23 0.00 -2.65 11.08 0.00 -1.26 -5.08 120.51 127.83 2k1h n ALA 33 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 2k1h n ALA 33 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2k1h n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1h s ALA 34 N -0.76 3.57 0.04 0.00 0.00 -1.26 -4.39 121.76 118.95 2k1h s ALA 34 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 2k1h s ALA 34 Cb 0.00 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.16 2k1h s ALA 34 CO 0.00 -0.64 0.45 -0.65 0.00 0.00 0.00 175.76 174.92 2k1h s GLN 35 N 2.11 0.95 0.07 0.00 -0.21 -1.26 -5.07 119.66 116.24 2k1h s GLN 35 Ca 0.28 -0.30 -0.31 0.00 0.02 0.00 0.00 55.36 55.06 2k1h s GLN 35 Cb -0.16 0.43 -0.07 0.00 1.00 0.00 0.00 33.01 34.21 2k1h s GLN 35 CO 0.10 -0.33 1.33 -1.21 -2.12 0.00 0.00 175.29 173.06 2k1h s GLU 36 N -2.37 4.35 0.00 2.91 8.01 -1.26 -2.56 118.70 127.78 2k1h s GLU 36 Ca -0.06 1.95 0.00 0.00 0.01 0.00 0.00 54.97 56.87 2k1h s GLU 36 Cb -0.01 -3.35 0.00 0.00 -4.31 0.00 0.00 34.13 26.46 2k1h s GLU 36 CO -0.01 -0.41 0.00 0.41 0.01 0.00 0.00 175.26 175.26 2k1h n GLY 37 N 3.44 3.34 3.84 -1.39 0.00 -1.26 -5.05 105.19 108.11 2k1h n GLY 37 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2k1h n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k1h s GLN 38 N -0.78 4.03 -0.48 1.61 -1.52 -1.06 -4.94 119.66 116.53 2k1h s GLN 38 Ca 0.00 0.88 -0.45 0.00 -1.95 0.00 0.00 55.36 53.84 2k1h s GLN 38 Cb 0.00 -2.25 -0.19 0.00 -0.22 0.00 0.00 33.01 30.35 2k1h s GLN 38 CO 0.00 -0.06 1.55 -2.30 -0.25 0.00 0.00 175.29 174.23 2k1h n PRO 39 N -0.95 0.00 0.25 2.91 -0.02 -1.26 -4.81 135.00 131.12 2k1h n PRO 39 Ca 0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 2k1h n PRO 39 Cb 0.54 -1.44 0.61 0.00 -0.02 0.00 0.00 33.50 33.19 2k1h n PRO 39 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k1h h GLU 40 N 4.89 0.00 0.00 -0.52 3.07 -1.93 -1.41 114.58 118.69 2k1h h GLU 40 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2k1h h GLU 40 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2k1h h GLU 40 CO 0.94 0.15 0.00 1.19 -1.40 0.00 0.00 179.01 179.89 2k1h n PHE 41 N -3.40 0.03 -0.01 4.33 3.72 -1.26 -2.44 117.46 118.43 2k1h n PHE 41 Ca -0.01 0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 2k1h n PHE 41 Cb 0.34 -0.52 -0.01 0.00 -0.94 0.00 0.00 39.48 38.34 2k1h n PHE 41 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2k1h n ILE 42 N -1.53 0.14 -0.29 4.37 -0.00 -0.90 -4.56 119.36 116.59 2k1h n ILE 42 Ca 0.03 -0.07 -0.06 0.00 -0.00 0.00 0.00 62.75 62.65 2k1h n ILE 42 Cb 0.16 -0.81 0.07 0.00 -0.00 0.00 0.00 39.64 39.06 2k1h n ILE 42 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2k1h h ASN 43 N 0.00 1.10 -0.22 4.38 2.35 -1.22 -2.29 115.58 119.68 2k1h h ASN 43 Ca -0.05 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 2k1h h ASN 43 Cb 1.11 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 2k1h h ASN 43 CO -0.00 0.97 -0.03 0.03 -1.65 0.00 0.00 177.43 176.74 2k1h h ARG 44 N 1.16 0.54 -0.72 0.81 2.47 -1.75 -2.76 114.38 114.12 2k1h h ARG 44 Ca 0.27 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.82 2k1h h ARG 44 Cb 0.21 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 2k1h h ARG 44 CO -0.02 0.59 0.29 -0.07 0.56 0.00 0.00 179.97 181.32 2k1h h LEU 45 N 0.51 1.00 0.00 3.04 4.07 -1.66 -1.60 115.31 120.67 2k1h h LEU 45 Ca 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2k1h h LEU 45 Cb 0.38 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2k1h h LEU 45 CO 0.02 0.90 0.00 0.33 -1.08 0.00 0.00 178.44 178.60 2k1h n PHE 46 N -4.35 0.00 0.24 1.13 7.35 -1.05 -2.66 117.46 118.12 2k1h n PHE 46 Ca 0.06 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.86 2k1h n PHE 46 Cb 0.18 -0.26 0.60 0.00 0.35 0.00 0.00 39.48 40.35 2k1h n PHE 46 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2k1h h GLU 47 N 0.00 0.00 -6.44 -4.13 4.81 -1.26 -3.43 114.58 104.12 2k1h h GLU 47 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 2k1h h GLU 47 Cb 0.13 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.23 2k1h h GLU 47 CO 0.00 0.17 -0.87 0.96 -0.73 0.00 0.00 179.01 178.55 2k1h s ILE 48 N -3.92 1.93 0.42 2.32 -5.25 -1.09 -5.12 121.20 110.50 2k1h s ILE 48 Ca -0.01 -1.21 -0.25 0.00 -0.99 0.00 0.00 60.65 58.18 2k1h s ILE 48 Cb 0.12 -1.64 -0.08 0.00 2.95 0.00 0.00 42.46 43.81 2k1h s ILE 48 CO 0.61 0.38 1.25 -1.83 -1.79 0.00 0.00 174.94 173.56 2k1h s GLU 49 N -0.99 3.89 0.00 0.37 -1.05 -1.26 -4.11 118.70 115.55 2k1h s GLU 49 Ca 0.10 2.02 0.00 0.00 -0.15 0.00 0.00 54.97 56.94 2k1h s GLU 49 Cb -0.09 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 30.95 2k1h s GLU 49 CO 0.01 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.12 2k1h n GLY 50 N 0.64 4.26 3.61 -3.83 0.00 -1.26 -4.69 105.19 103.92 2k1h n GLY 50 Ca 0.05 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 2k1h n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1h s VAL 51 N 0.00 3.07 -0.15 1.61 1.01 -1.26 0.21 120.40 124.89 2k1h s VAL 51 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 2k1h s VAL 51 Cb 0.00 -3.09 -0.23 0.00 0.00 0.00 0.00 36.38 33.07 2k1h s VAL 51 CO 0.00 -0.05 0.60 0.50 0.00 0.00 0.00 175.10 176.15 2k1h h LYS 52 N 13.80 0.00 -2.90 2.72 3.64 -1.34 -3.48 116.57 129.00 2k1h h LYS 52 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2k1h h LYS 52 Cb 1.23 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.93 2k1h h LYS 52 CO 0.96 0.91 0.25 -1.54 -2.27 0.00 0.00 179.45 177.77 2k1h s SER 53 N -6.28 -0.53 0.14 4.20 1.04 -1.23 -5.03 113.70 106.01 2k1h s SER 53 Ca -0.19 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.31 2k1h s SER 53 Cb -0.01 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 2k1h s SER 53 CO 0.62 -0.94 -0.24 -0.63 0.98 0.00 0.00 173.24 173.02 2k1h s ILE 54 N -3.67 2.11 -0.08 -1.02 -1.09 -1.26 -3.07 121.20 113.12 2k1h s ILE 54 Ca 0.02 -1.79 -0.01 0.00 -2.23 0.00 0.00 60.65 56.64 2k1h s ILE 54 Cb -0.01 -1.91 0.03 0.00 -1.58 0.00 0.00 42.46 38.98 2k1h s ILE 54 CO -0.11 -0.04 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.18 2k1h s PHE 55 N -1.34 0.82 -0.22 3.97 0.08 -1.09 -3.43 117.98 116.77 2k1h s PHE 55 Ca 0.14 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 2k1h s PHE 55 Cb -0.09 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 2k1h s PHE 55 CO 0.07 -0.35 -0.08 -0.47 -0.10 0.00 0.00 175.22 174.29 2k1h s TYR 56 N 1.83 2.95 -0.13 0.36 6.14 -1.15 -2.45 117.35 124.90 2k1h s TYR 56 Ca 0.03 -1.29 -0.30 0.00 0.64 0.00 0.00 57.07 56.16 2k1h s TYR 56 Cb -0.12 -2.05 0.10 0.00 0.42 0.00 0.00 41.96 40.30 2k1h s TYR 56 CO -0.05 -0.66 0.85 0.54 0.64 0.00 0.00 175.55 176.87 2k1h s VAL 57 N 1.39 0.00 0.00 3.14 0.11 -1.22 -3.01 120.40 120.81 2k1h s VAL 57 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2k1h s VAL 57 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 2k1h s VAL 57 CO -0.06 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.60 2k1h n LEU 58 N 1.07 0.00 -1.13 2.54 -0.00 -1.26 -2.96 117.00 115.27 2k1h n LEU 58 Ca -0.14 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 55.89 2k1h n LEU 58 Cb 0.57 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.23 2k1h n LEU 58 CO 0.17 0.00 0.76 -0.90 -0.00 0.00 0.00 177.39 177.42 2k1h n ASP 59 N 1.98 3.52 -3.83 1.96 5.68 -1.26 -4.80 116.55 119.80 2k1h n ASP 59 Ca 0.00 -3.30 -0.10 0.00 -0.50 0.00 0.00 54.79 50.89 2k1h n ASP 59 Cb 0.00 -0.60 -0.08 0.00 -1.14 0.00 0.00 41.12 39.30 2k1h n ASP 59 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2k1h s PHE 60 N -3.00 0.08 -0.06 2.11 -0.12 -1.15 -3.47 117.98 112.37 2k1h s PHE 60 Ca 0.45 -0.40 0.03 0.00 -0.05 0.00 0.00 56.93 56.97 2k1h s PHE 60 Cb 0.38 -0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 2k1h s PHE 60 CO 0.06 -0.50 -0.16 0.42 -0.05 0.00 0.00 175.22 174.99 2k1h s ILE 61 N -3.25 1.37 -0.24 -4.49 1.09 -1.20 -3.45 121.20 111.04 2k1h s ILE 61 Ca 0.00 -0.65 -0.09 0.00 -1.10 0.00 0.00 60.65 58.81 2k1h s ILE 61 Cb 0.02 -1.20 -0.04 0.00 -1.06 0.00 0.00 42.46 40.18 2k1h s ILE 61 CO -0.08 0.40 0.11 -0.55 -0.10 0.00 0.00 174.94 174.72 2k1h s SER 62 N 0.30 5.63 -0.16 3.58 0.15 -1.03 -2.07 113.70 120.10 2k1h s SER 62 Ca -0.09 -0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.50 2k1h s SER 62 Cb -0.14 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.15 2k1h s SER 62 CO 0.03 0.04 -0.08 -0.63 1.20 0.00 0.00 173.24 173.80 2k1h s ILE 63 N 1.21 3.38 -0.31 6.45 1.01 -1.05 -2.65 121.20 129.24 2k1h s ILE 63 Ca 0.06 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 2k1h s ILE 63 Cb -0.14 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.89 2k1h s ILE 63 CO 0.05 0.49 0.06 -0.62 0.00 0.00 0.00 174.94 174.91 2k1h s ASP 64 N 0.63 5.06 0.21 3.58 2.15 -1.17 -3.00 116.67 124.12 2k1h s ASP 64 Ca -0.05 -1.04 0.10 0.00 0.43 0.00 0.00 52.55 51.99 2k1h s ASP 64 Cb -0.15 -1.81 -0.04 0.00 -0.30 0.00 0.00 42.92 40.61 2k1h s ASP 64 CO 0.03 -0.26 -0.12 -0.54 -0.17 0.00 0.00 175.17 174.11 2k1h s LYS 65 N 1.38 1.96 1.20 4.34 1.02 -1.07 -0.86 119.74 127.72 2k1h s LYS 65 Ca -0.01 -1.39 -0.18 0.00 0.02 0.00 0.00 55.97 54.41 2k1h s LYS 65 Cb -0.19 -2.06 0.28 0.00 -0.52 0.00 0.00 37.83 35.34 2k1h s LYS 65 CO 0.01 0.41 1.06 -2.00 -0.92 0.00 0.00 175.35 173.91 2k1h s GLU 66 N -2.99 -1.21 0.55 1.68 2.56 0.13 -4.58 118.70 114.84 2k1h s GLU 66 Ca 0.26 0.20 0.33 0.00 0.00 0.00 0.00 54.97 55.76 2k1h s GLU 66 Cb -0.08 -1.57 1.36 0.00 2.00 0.00 0.00 34.13 35.83 2k1h s GLU 66 CO 0.15 -3.76 1.98 -0.44 -0.56 0.00 0.00 175.26 172.63 2k1h h ASP 67 N -2.62 0.00 -0.07 -1.70 3.32 -1.95 -2.45 116.42 110.95 2k1h h ASP 67 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2k1h h ASP 67 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2k1h h ASP 67 CO 0.40 0.02 0.00 -3.20 -1.72 0.00 0.00 179.24 174.74 2k1h n ASN 68 N -3.12 0.95 -4.92 6.45 2.85 -1.26 -4.86 115.26 111.35 2k1h n ASN 68 Ca 0.00 -1.50 -0.29 0.00 -0.11 0.00 0.00 54.58 52.69 2k1h n ASN 68 Cb 0.31 -0.04 -0.04 0.00 1.24 0.00 0.00 39.78 41.25 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k1h s ALA 69 N -1.91 3.81 -0.05 5.20 0.00 -0.92 -4.99 121.76 122.89 2k1h s ALA 69 Ca 0.34 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2k1h s ALA 69 Cb 0.17 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 21.28 2k1h s ALA 69 CO 0.27 0.48 0.09 0.54 0.00 0.00 0.00 175.76 177.15 2k1h s ASN 70 N -2.98 0.81 0.57 0.00 6.03 -1.26 -4.89 114.94 113.23 2k1h s ASN 70 Ca 0.39 0.17 0.27 0.00 -1.03 0.00 0.00 52.86 52.66 2k1h s ASN 70 Cb -0.11 0.02 1.64 0.00 -3.03 0.00 0.00 41.25 39.76 2k1h s ASN 70 CO 0.28 -0.23 2.15 -0.50 -2.03 0.00 0.00 177.10 176.77 2k1h h TRP 71 N 8.21 0.00 -0.79 1.54 6.55 -1.95 -1.64 115.95 127.87 2k1h h TRP 71 Ca -0.18 0.00 0.09 0.00 0.95 0.00 0.00 58.89 59.75 2k1h h TRP 71 Cb 1.12 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.37 2k1h h TRP 71 CO 0.46 0.00 0.51 -0.91 -1.05 0.00 0.00 178.44 177.46 2k1h h ASN 72 N 0.00 0.67 -0.08 -3.49 -0.26 -2.00 0.49 115.58 110.91 2k1h h ASN 72 Ca 0.06 0.01 -0.24 0.00 -0.56 0.00 0.00 56.30 55.57 2k1h h ASN 72 Cb 0.29 -0.13 0.02 0.00 -1.06 0.00 0.00 38.32 37.44 2k1h h ASN 72 CO -0.00 0.41 -0.88 -0.33 -1.06 0.00 0.00 177.43 175.57 2k1h h GLU 73 N 0.75 0.74 -0.28 0.81 4.39 -1.73 -3.30 114.58 115.95 2k1h h GLU 73 Ca 0.36 -0.69 -0.17 0.00 0.34 0.00 0.00 59.36 59.20 2k1h h GLU 73 Cb 0.40 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2k1h h GLU 73 CO -0.13 1.28 -0.49 -0.07 -1.16 0.00 0.00 179.01 178.43 2k1h h LEU 74 N 0.45 0.84 -0.73 1.33 -0.00 -1.27 -3.27 115.31 112.66 2k1h h LEU 74 Ca -0.09 -0.43 0.07 0.00 -0.00 0.00 0.00 57.88 57.43 2k1h h LEU 74 Cb 1.52 -0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 41.85 2k1h h LEU 74 CO 0.18 1.19 -0.43 0.18 -0.00 0.00 0.00 178.44 179.55 2k1h n LEU 75 N -4.01 -0.78 0.28 1.67 4.32 0.16 0.88 117.00 119.52 2k1h n LEU 75 Ca -0.03 1.55 0.16 0.00 -0.02 0.00 0.00 56.01 57.67 2k1h n LEU 75 Cb 0.59 -0.29 0.81 0.00 -1.62 0.00 0.00 43.42 42.91 2k1h n LEU 75 CO 0.48 -1.19 1.02 1.55 -1.22 0.00 0.00 177.39 178.04 2k1h h PRO 76 N 0.00 0.00 0.06 3.23 0.13 -1.73 -0.63 132.00 133.07 2k1h h PRO 76 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2k1h h PRO 76 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2k1h h PRO 76 CO -0.69 0.07 -0.03 0.37 -0.23 0.00 0.00 178.00 177.49 2k1h h GLN 77 N 0.00 -0.08 -0.28 0.86 4.15 0.44 -3.28 115.11 116.92 2k1h h GLN 77 Ca -0.00 0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 2k1h h GLN 77 Cb 0.32 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2k1h h GLN 77 CO 0.01 0.48 -0.54 -0.84 -1.93 0.00 0.00 178.83 176.02 2k1h h ILE 78 N -0.91 1.28 -0.92 2.39 3.07 -0.17 -3.04 117.51 119.21 2k1h h ILE 78 Ca -0.01 -1.72 0.26 0.00 1.55 0.00 0.00 64.86 64.94 2k1h h ILE 78 Cb 0.60 1.65 -0.04 0.00 -0.27 0.00 0.00 36.82 38.76 2k1h h ILE 78 CO 0.01 0.56 0.65 -0.08 -1.05 0.00 0.00 178.15 178.24 2k1h h GLU 79 N 0.64 0.08 -0.73 0.16 4.81 -1.26 0.43 114.58 118.70 2k1h h GLU 79 Ca 0.01 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2k1h h GLU 79 Cb 1.15 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2k1h h GLU 79 CO 0.12 0.05 0.23 -0.91 -0.73 0.00 0.00 179.01 177.77 2k1h h ASN 80 N 0.08 1.06 -0.13 1.04 -0.26 -1.58 0.32 115.58 116.11 2k1h h ASN 80 Ca 0.45 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 2k1h h ASN 80 Cb 1.65 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 38.63 2k1h h ASN 80 CO -0.05 0.99 0.09 0.74 -1.06 0.00 0.00 177.43 178.14 2k1h h THR 81 N 1.09 1.04 -0.30 2.81 2.02 -0.25 -0.60 112.91 118.72 2k1h h THR 81 Ca 0.24 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.20 2k1h h THR 81 Cb 0.30 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2k1h h THR 81 CO -0.01 0.04 -0.39 -0.26 0.37 0.00 0.00 175.52 175.27 2k1h h PHE 82 N 0.17 0.83 -0.71 3.16 0.04 -1.32 -2.91 116.94 116.20 2k1h h PHE 82 Ca 0.05 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.60 2k1h h PHE 82 Cb -0.02 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 2k1h h PHE 82 CO -0.07 0.98 0.46 0.00 -0.60 0.00 0.00 178.31 179.08 2k1h h ALA 83 N 0.99 0.92 0.77 2.45 0.00 -0.02 0.91 119.26 125.28 2k1h h ALA 83 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2k1h h ALA 83 Cb 0.92 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k1h h ALA 83 CO 0.08 0.27 -0.37 -0.22 0.00 0.00 0.00 179.25 179.02 2k1h h LYS 84 N 0.92 -0.99 -0.43 0.00 3.64 -1.03 -3.21 116.57 115.46 2k1h h LYS 84 Ca 0.27 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2k1h h LYS 84 Cb -0.04 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2k1h h LYS 84 CO -0.08 -0.66 0.28 1.03 -2.27 0.00 0.00 179.45 177.74 2k1h h SER 85 N -1.14 0.49 0.00 4.20 0.87 -1.45 -3.52 113.55 113.00 2k1h h SER 85 Ca -0.11 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2k1h h SER 85 Cb 0.79 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2k1h h SER 85 CO 0.17 0.36 0.00 -3.20 -0.53 0.00 0.00 176.83 173.64