#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 2.13 0.79 0.03 -1.05 -1.26 -5.02 118.70 114.32 2k1h s GLU 2 Ca 0.00 -0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 54.14 2k1h s GLU 2 Cb 0.00 -1.84 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 2k1h s GLU 2 CO 0.00 -0.08 0.30 -0.89 0.95 0.00 0.00 175.26 175.54 2k1h n ILE 3 N 4.26 1.02 0.00 1.83 5.41 -1.26 -4.50 119.36 126.12 2k1h n ILE 3 Ca -0.19 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.19 2k1h n ILE 3 Cb 0.51 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 2k1h n ILE 3 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2k1h n ILE 4 N -2.62 0.00 -3.56 1.39 2.08 -1.21 -4.98 119.36 110.47 2k1h n ILE 4 Ca 0.08 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.32 2k1h n ILE 4 Cb 0.51 -0.38 -0.02 0.00 -0.75 0.00 0.00 39.64 38.99 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 -1.64 -1.96 -0.16 -1.39 0.00 -1.15 -5.06 121.76 110.40 2k1h s ALA 5 Ca 0.00 1.38 -0.06 0.00 0.00 0.00 0.00 51.96 53.28 2k1h s ALA 5 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2k1h s ALA 5 CO 0.00 -0.59 0.05 0.42 0.00 0.00 0.00 175.76 175.64 2k1h s ILE 6 N -2.51 4.72 -0.35 0.00 1.01 -1.26 -2.90 121.20 119.90 2k1h s ILE 6 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 2k1h s ILE 6 Cb -0.01 -3.10 0.08 0.00 0.01 0.00 0.00 42.46 39.44 2k1h s ILE 6 CO -0.06 0.49 0.09 -0.44 0.00 0.00 0.00 174.94 175.02 2k1h s SER 7 N 0.12 5.03 0.36 3.58 0.01 -0.31 -4.97 113.70 117.51 2k1h s SER 7 Ca 0.04 -1.67 -0.25 0.00 1.31 0.00 0.00 55.95 55.38 2k1h s SER 7 Cb -0.12 -1.75 -0.09 0.00 0.21 0.00 0.00 66.02 64.26 2k1h s SER 7 CO 0.01 -0.39 1.02 -1.83 0.41 0.00 0.00 173.24 172.46 2k1h s GLU 8 N 1.17 4.37 0.27 12.44 -1.05 -1.26 -1.88 118.70 132.76 2k1h s GLU 8 Ca 0.02 1.48 0.09 0.00 -0.15 0.00 0.00 54.97 56.41 2k1h s GLU 8 Cb -0.21 -2.70 -0.05 0.00 -0.44 0.00 0.00 34.13 30.73 2k1h s GLU 8 CO -0.03 0.05 -0.14 -0.08 0.95 0.00 0.00 175.26 176.01 2k1h s THR 9 N -1.59 2.09 -0.83 1.83 -1.32 -1.26 -4.93 115.64 109.63 2k1h s THR 9 Ca 0.54 -2.27 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 2k1h s THR 9 Cb -0.22 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 2k1h s THR 9 CO 0.28 -0.40 0.09 -0.81 -2.21 0.00 0.00 174.62 171.57 2k1h n PRO 10 N -0.58 0.15 -1.68 7.08 -0.04 -1.26 -4.69 135.00 133.98 2k1h n PRO 10 Ca -0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 2k1h n PRO 10 Cb 0.61 -1.13 0.04 0.00 -0.04 0.00 0.00 33.50 32.98 2k1h n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2k1h n ASN 11 N 0.51 0.77 -0.06 3.54 5.03 -1.26 -5.08 115.26 118.70 2k1h n ASN 11 Ca 0.00 -1.59 -0.13 0.00 0.87 0.00 0.00 54.58 53.73 2k1h n ASN 11 Cb 0.04 -0.23 -0.04 0.00 -1.02 0.00 0.00 39.78 38.53 2k1h n ASN 11 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2k1h n HIS 12 N -1.78 0.00 -0.01 3.10 -0.00 -1.26 -4.79 115.22 110.48 2k1h n HIS 12 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.81 2k1h n HIS 12 Cb 0.26 -0.43 0.05 0.00 -0.00 0.00 0.00 29.99 29.87 2k1h n HIS 12 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2k1h n ASN 13 N -3.63 2.14 -4.43 0.26 2.04 -1.26 -4.97 115.26 105.40 2k1h n ASN 13 Ca -0.23 -1.80 -0.33 0.00 -0.44 0.00 0.00 54.58 51.77 2k1h n ASN 13 Cb 0.63 -0.07 -0.13 0.00 -2.53 0.00 0.00 39.78 37.67 2k1h n ASN 13 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2k1h s THR 14 N -0.85 3.45 0.02 5.53 2.01 -1.26 -3.22 115.64 121.32 2k1h s THR 14 Ca 0.08 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2k1h s THR 14 Cb 0.05 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 2k1h s THR 14 CO 0.06 0.51 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.15 2k1h s MET 15 N 0.34 0.35 -0.15 4.92 1.75 -1.25 -4.45 119.30 120.82 2k1h s MET 15 Ca -0.08 -0.68 -0.04 0.00 -1.25 0.00 0.00 55.69 53.64 2k1h s MET 15 Cb -0.15 0.09 -0.03 0.00 2.84 0.00 0.00 34.83 37.58 2k1h s MET 15 CO 0.04 -0.05 -0.00 0.21 -0.65 0.00 0.00 175.02 174.57 2k1h s LYS 16 N -1.69 3.66 -0.35 4.11 2.20 -0.79 -3.35 119.74 123.53 2k1h s LYS 16 Ca -0.13 -0.46 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 2k1h s LYS 16 Cb -0.08 -2.98 0.04 0.00 -1.51 0.00 0.00 37.83 33.30 2k1h s LYS 16 CO -0.02 0.32 0.12 0.08 -0.36 0.00 0.00 175.35 175.50 2k1h s VAL 17 N 0.18 3.93 -0.06 4.02 1.01 -1.14 -1.17 120.40 127.17 2k1h s VAL 17 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 2k1h s VAL 17 Cb -0.13 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2k1h s VAL 17 CO 0.02 -0.19 0.53 -0.44 0.00 0.00 0.00 175.10 175.02 2k1h s SER 18 N 1.43 6.83 -0.04 3.32 0.01 -1.14 -3.14 113.70 120.97 2k1h s SER 18 Ca -0.01 0.99 -0.29 0.00 1.31 0.00 0.00 55.95 57.95 2k1h s SER 18 Cb -0.19 -2.32 0.10 0.00 0.21 0.00 0.00 66.02 63.82 2k1h s SER 18 CO 0.04 0.07 0.87 -1.48 0.41 0.00 0.00 173.24 173.14 2k1h s LEU 19 N 0.11 -0.43 -1.12 2.44 2.34 -1.16 -2.91 118.68 117.95 2k1h s LEU 19 Ca 0.28 0.22 -0.16 0.00 0.06 0.00 0.00 54.13 54.54 2k1h s LEU 19 Cb -0.17 2.10 0.14 0.00 -0.56 0.00 0.00 46.19 47.70 2k1h s LEU 19 CO 0.14 -0.56 1.36 -0.44 -1.06 0.00 0.00 176.35 175.79 2k1h s SER 20 N -1.90 6.88 0.04 1.48 0.01 -1.26 -4.39 113.70 114.55 2k1h s SER 20 Ca 0.00 -2.57 0.02 0.00 1.31 0.00 0.00 55.95 54.72 2k1h s SER 20 Cb -0.01 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2k1h s SER 20 CO -0.03 -0.92 0.03 -1.83 0.41 0.00 0.00 173.24 170.89 2k1h s GLU 21 N 2.34 2.78 -0.58 12.44 -1.05 -1.26 -3.46 118.70 129.91 2k1h s GLU 21 Ca 0.41 -0.67 -0.05 0.00 -0.15 0.00 0.00 54.97 54.50 2k1h s GLU 21 Cb -0.03 -2.67 -0.20 0.00 -0.44 0.00 0.00 34.13 30.80 2k1h s GLU 21 CO -0.03 0.59 1.60 -2.30 0.95 0.00 0.00 175.26 176.07 2k1h n PRO 22 N 0.94 0.00 0.20 -4.83 -0.02 -1.26 -4.60 135.00 125.43 2k1h n PRO 22 Ca -0.12 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.49 2k1h n PRO 22 Cb 0.52 -0.93 0.29 0.00 -0.02 0.00 0.00 33.50 33.36 2k1h n PRO 22 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2k1h h ARG 23 N 9.55 0.00 -1.22 -0.52 0.11 -1.94 -3.28 114.38 117.08 2k1h h ARG 23 Ca 0.02 0.00 0.36 0.00 0.10 0.00 0.00 59.98 60.46 2k1h h ARG 23 Cb 1.01 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.04 2k1h h ARG 23 CO 1.30 0.00 1.10 1.96 0.10 0.00 0.00 179.97 184.42 2k1h h GLN 24 N 0.00 0.00 -0.24 0.08 4.20 -1.87 1.49 115.11 118.77 2k1h h GLN 24 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2k1h h GLN 24 Cb 0.86 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 2k1h h GLN 24 CO 0.00 0.00 -0.37 0.22 -0.67 0.00 0.00 178.83 178.01 2k1h h ASP 25 N 0.00 0.74 -6.97 1.46 1.82 -1.93 -3.47 116.42 108.08 2k1h h ASP 25 Ca 0.58 -0.52 -0.58 0.00 -0.39 0.00 0.00 57.03 56.12 2k1h h ASP 25 Cb 2.77 -0.21 -0.21 0.00 0.68 0.00 0.00 39.33 42.36 2k1h h ASP 25 CO -0.01 1.12 -0.91 -0.46 -1.61 0.00 0.00 179.24 177.37 2k1h n ASN 26 N -4.23 0.79 -4.33 2.28 0.23 0.51 -4.92 115.26 105.58 2k1h n ASN 26 Ca -0.05 -1.20 -0.30 0.00 -0.53 0.00 0.00 54.58 52.49 2k1h n ASN 26 Cb 0.52 -1.50 -0.15 0.00 -2.08 0.00 0.00 39.78 36.57 2k1h n ASN 26 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2k1h s SER 27 N -4.25 3.12 -0.18 0.53 0.15 -1.26 -4.84 113.70 106.96 2k1h s SER 27 Ca 0.04 -0.54 -0.08 0.00 0.70 0.00 0.00 55.95 56.07 2k1h s SER 27 Cb -0.02 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.94 2k1h s SER 27 CO 0.94 0.28 0.08 0.72 1.20 0.00 0.00 173.24 176.46 2k1h s PHE 28 N -0.73 3.31 -0.30 3.44 -0.12 -1.26 -4.14 117.98 118.18 2k1h s PHE 28 Ca 0.11 0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 57.15 2k1h s PHE 28 Cb -0.10 -2.07 0.19 0.00 -0.63 0.00 0.00 43.02 40.41 2k1h s PHE 28 CO 0.01 0.24 0.63 0.99 -0.05 0.00 0.00 175.22 177.04 2k1h s THR 29 N 0.20 -0.96 -0.28 -4.49 2.01 -1.25 -5.05 115.64 105.81 2k1h s THR 29 Ca 0.05 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 2k1h s THR 29 Cb -0.12 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.41 2k1h s THR 29 CO -0.00 0.00 1.08 -0.89 -0.69 0.00 0.00 174.62 174.12 2k1h s THR 30 N 2.86 4.55 0.10 -0.82 2.01 -1.26 -4.33 115.64 118.75 2k1h s THR 30 Ca 0.18 1.82 -0.03 0.00 0.31 0.00 0.00 61.69 63.97 2k1h s THR 30 Cb -0.14 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2k1h s THR 30 CO -0.21 -0.36 0.08 -0.72 -0.69 0.00 0.00 174.62 172.72 2k1h s TYR 31 N 3.51 0.54 -0.30 4.92 -0.85 -1.19 -4.95 117.35 119.04 2k1h s TYR 31 Ca 0.46 -0.99 -0.12 0.00 -0.52 0.00 0.00 57.07 55.89 2k1h s TYR 31 Cb -0.14 -0.31 0.17 0.00 0.38 0.00 0.00 41.96 42.06 2k1h s TYR 31 CO 0.12 -0.50 0.97 -0.08 -1.52 0.00 0.00 175.55 174.54 2k1h s THR 32 N -3.96 -0.48 0.00 -3.49 -1.32 -1.26 -3.30 115.64 101.83 2k1h s THR 32 Ca 0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 2k1h s THR 32 Cb 0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2k1h s THR 32 CO -0.05 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.36 2k1h n ALA 33 N 5.26 0.00 -2.66 11.08 0.00 -1.26 -5.09 120.51 127.84 2k1h n ALA 33 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2k1h n ALA 33 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.91 3.63 -0.04 0.00 0.00 -1.26 -4.54 121.76 118.65 2k1h s ALA 34 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 2k1h s ALA 34 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2k1h s ALA 34 CO 0.00 -0.95 0.27 -0.65 0.00 0.00 0.00 175.76 174.43 2k1h s GLN 35 N 2.93 0.53 0.37 0.00 -0.21 -1.26 -5.06 119.66 116.95 2k1h s GLN 35 Ca 0.43 -0.05 -0.26 0.00 0.02 0.00 0.00 55.36 55.49 2k1h s GLN 35 Cb -0.16 0.24 -0.09 0.00 1.00 0.00 0.00 33.01 34.00 2k1h s GLN 35 CO 0.08 -0.13 1.18 -1.83 -2.12 0.00 0.00 175.29 172.48 2k1h s GLU 36 N -0.89 4.20 0.00 2.91 -1.05 -1.26 -2.80 118.70 119.81 2k1h s GLU 36 Ca -0.10 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 56.62 2k1h s GLU 36 Cb -0.05 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.82 2k1h s GLU 36 CO 0.03 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.43 2k1h n GLY 37 N 0.74 2.20 3.90 -3.83 0.00 -1.26 -5.03 105.19 101.91 2k1h n GLY 37 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.41 3.57 -0.07 1.61 -0.21 -1.12 -5.03 119.66 118.00 2k1h s GLN 38 Ca 0.00 -0.15 -0.40 0.00 0.02 0.00 0.00 55.36 54.83 2k1h s GLN 38 Cb 0.00 -3.00 -0.19 0.00 1.00 0.00 0.00 33.01 30.82 2k1h s GLN 38 CO 0.00 0.58 1.23 -2.30 -2.12 0.00 0.00 175.29 172.68 2k1h n PRO 39 N 0.61 0.27 0.23 2.91 -0.02 -1.26 -4.82 135.00 132.92 2k1h n PRO 39 Ca -0.07 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.60 2k1h n PRO 39 Cb 0.52 -1.63 0.56 0.00 -0.02 0.00 0.00 33.50 32.93 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 3.79 0.00 0.00 -0.52 5.08 -1.95 -2.23 114.58 118.75 2k1h h GLU 40 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2k1h h GLU 40 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2k1h h GLU 40 CO 0.74 0.22 0.00 1.19 -1.00 0.00 0.00 179.01 180.15 2k1h n PHE 41 N -3.74 0.30 -0.06 4.33 3.72 -1.26 -0.80 117.46 119.95 2k1h n PHE 41 Ca -0.01 0.16 -0.09 0.00 -0.05 0.00 0.00 57.45 57.46 2k1h n PHE 41 Cb 0.33 -0.75 -0.06 0.00 -0.94 0.00 0.00 39.48 38.05 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 -1.81 0.72 -0.14 4.37 2.08 -0.86 -4.50 119.36 119.22 2k1h n ILE 42 Ca -0.01 -0.28 -0.07 0.00 0.56 0.00 0.00 62.75 62.96 2k1h n ILE 42 Cb 0.02 -0.94 0.10 0.00 -0.75 0.00 0.00 39.64 38.07 2k1h n ILE 42 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2k1h h ASN 43 N 0.00 0.87 -0.40 4.38 2.35 -1.21 -2.73 115.58 118.84 2k1h h ASN 43 Ca -0.28 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2k1h h ASN 43 Cb 1.44 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 2k1h h ASN 43 CO -0.04 0.97 0.26 0.03 -1.65 0.00 0.00 177.43 176.99 2k1h h ARG 44 N 0.81 0.54 -0.43 0.81 2.47 -1.22 -1.80 114.38 115.55 2k1h h ARG 44 Ca 0.14 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.74 2k1h h ARG 44 Cb 0.57 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 2k1h h ARG 44 CO 0.03 0.37 -0.08 -0.07 0.56 0.00 0.00 179.97 180.78 2k1h h LEU 45 N 0.56 0.73 -0.34 3.04 4.07 -1.71 -2.36 115.31 119.30 2k1h h LEU 45 Ca 0.15 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2k1h h LEU 45 Cb -0.04 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.50 2k1h h LEU 45 CO -0.03 0.85 0.00 0.33 -1.08 0.00 0.00 178.44 178.51 2k1h n PHE 46 N -4.18 0.00 0.12 1.13 7.35 -0.68 -2.76 117.46 118.44 2k1h n PHE 46 Ca 0.02 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.80 2k1h n PHE 46 Cb 0.34 -0.02 0.03 0.00 0.35 0.00 0.00 39.48 40.17 2k1h n PHE 46 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2k1h h GLU 47 N 0.10 0.00 -6.36 -4.13 4.39 -1.47 -3.46 114.58 103.64 2k1h h GLU 47 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 2k1h h GLU 47 Cb 0.12 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.49 2k1h h GLU 47 CO 0.00 0.06 -0.87 0.96 -1.16 0.00 0.00 179.01 178.00 2k1h s ILE 48 N -3.26 1.87 0.53 3.13 -5.25 -1.11 -5.13 121.20 111.98 2k1h s ILE 48 Ca 0.01 -1.14 -0.20 0.00 -0.99 0.00 0.00 60.65 58.33 2k1h s ILE 48 Cb 0.08 -1.58 -0.06 0.00 2.95 0.00 0.00 42.46 43.85 2k1h s ILE 48 CO 0.77 0.41 1.16 -1.83 -1.79 0.00 0.00 174.94 173.65 2k1h s GLU 49 N -0.86 3.39 0.00 0.37 1.03 -1.26 -4.10 118.70 117.27 2k1h s GLU 49 Ca 0.09 1.71 0.00 0.00 0.03 0.00 0.00 54.97 56.80 2k1h s GLU 49 Cb -0.09 -2.10 0.00 0.00 -0.80 0.00 0.00 34.13 31.14 2k1h s GLU 49 CO 0.00 -0.84 0.00 0.41 -1.33 0.00 0.00 175.26 173.50 2k1h n GLY 50 N 0.31 2.34 3.61 -3.83 0.00 -1.26 -4.64 105.19 101.72 2k1h n GLY 50 Ca 0.11 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 2k1h n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k1h n VAL 51 N 0.00 0.49 -0.07 1.61 0.24 -1.26 -0.28 118.33 119.07 2k1h n VAL 51 Ca 0.00 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.34 61.81 2k1h n VAL 51 Cb 0.00 -2.24 -0.13 0.00 -1.47 0.00 0.00 33.84 30.00 2k1h n VAL 51 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k1h n LYS 52 N 7.92 0.68 -3.53 7.34 5.02 -0.32 -4.95 118.16 130.33 2k1h n LYS 52 Ca 0.27 0.29 -0.09 0.00 -2.02 0.00 0.00 58.31 56.76 2k1h n LYS 52 Cb 0.38 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 2k1h n LYS 52 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2k1h s SER 53 N -6.93 -0.39 -0.03 4.39 1.04 -1.23 -4.99 113.70 105.58 2k1h s SER 53 Ca -0.29 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.09 2k1h s SER 53 Cb 0.08 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2k1h s SER 53 CO 0.66 -0.78 -0.11 -0.63 0.98 0.00 0.00 173.24 173.37 2k1h s ILE 54 N -3.33 0.91 -0.15 -1.02 1.01 -1.21 -2.38 121.20 115.04 2k1h s ILE 54 Ca 0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2k1h s ILE 54 Cb -0.01 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 2k1h s ILE 54 CO -0.08 0.28 -0.08 0.12 0.00 0.00 0.00 174.94 175.18 2k1h s PHE 55 N 0.11 2.93 -0.16 3.97 2.19 -0.61 -3.16 117.98 123.25 2k1h s PHE 55 Ca -0.02 -0.47 0.01 0.00 0.33 0.00 0.00 56.93 56.77 2k1h s PHE 55 Cb -0.09 -1.91 0.03 0.00 -1.31 0.00 0.00 43.02 39.74 2k1h s PHE 55 CO 0.01 -0.13 -0.13 -0.47 1.83 0.00 0.00 175.22 176.32 2k1h s TYR 56 N 0.39 2.28 -0.16 10.12 6.14 -1.26 -1.68 117.35 133.18 2k1h s TYR 56 Ca -0.07 -1.35 -0.29 0.00 0.64 0.00 0.00 57.07 56.00 2k1h s TYR 56 Cb -0.15 -1.63 0.10 0.00 0.42 0.00 0.00 41.96 40.70 2k1h s TYR 56 CO 0.04 -0.70 0.87 0.54 0.64 0.00 0.00 175.55 176.94 2k1h s VAL 57 N 1.45 0.00 0.00 3.14 0.11 -1.20 -3.96 120.40 119.95 2k1h s VAL 57 Ca 0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2k1h s VAL 57 Cb -0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2k1h s VAL 57 CO -0.10 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.56 2k1h n LEU 58 N 1.30 0.00 -0.68 2.54 7.94 -1.26 -2.77 117.00 124.07 2k1h n LEU 58 Ca -0.14 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.82 2k1h n LEU 58 Cb 0.57 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.72 2k1h n LEU 58 CO 0.14 0.00 0.62 -0.90 -1.11 0.00 0.00 177.39 176.15 2k1h n ASP 59 N 4.76 2.82 -3.88 1.96 5.75 -1.26 -3.92 116.55 122.78 2k1h n ASP 59 Ca 0.00 -3.33 -0.09 0.00 -0.01 0.00 0.00 54.79 51.36 2k1h n ASP 59 Cb 0.00 -0.53 -0.08 0.00 -1.03 0.00 0.00 41.12 39.48 2k1h n ASP 59 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2k1h s PHE 60 N -3.00 0.18 0.06 2.11 -0.12 -1.12 -2.99 117.98 113.10 2k1h s PHE 60 Ca 0.39 -0.60 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 2k1h s PHE 60 Cb 0.34 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 2k1h s PHE 60 CO 0.03 -0.52 -0.12 0.96 -0.05 0.00 0.00 175.22 175.51 2k1h s ILE 61 N -3.77 0.95 -0.19 -4.49 -4.36 -1.19 -3.21 121.20 104.95 2k1h s ILE 61 Ca 0.04 -1.20 -0.01 0.00 -0.26 0.00 0.00 60.65 59.22 2k1h s ILE 61 Cb 0.05 -0.93 -0.00 0.00 1.25 0.00 0.00 42.46 42.82 2k1h s ILE 61 CO -0.10 -0.24 -0.11 -0.55 0.24 0.00 0.00 174.94 174.17 2k1h s SER 62 N -1.62 3.86 -0.30 4.36 0.15 -0.68 -2.91 113.70 116.57 2k1h s SER 62 Ca -0.04 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.07 2k1h s SER 62 Cb -0.10 -1.63 -0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2k1h s SER 62 CO 0.02 0.03 0.11 -0.63 1.20 0.00 0.00 173.24 173.97 2k1h s ILE 63 N 1.14 4.28 -0.34 6.45 1.01 -1.21 -1.58 121.20 130.95 2k1h s ILE 63 Ca 0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 2k1h s ILE 63 Cb -0.14 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 2k1h s ILE 63 CO -0.04 0.08 0.24 -0.62 0.00 0.00 0.00 174.94 174.60 2k1h s ASP 64 N 1.56 6.02 0.14 3.58 -1.08 -1.00 -3.74 116.67 122.15 2k1h s ASP 64 Ca 0.04 -0.47 0.08 0.00 -0.52 0.00 0.00 52.55 51.68 2k1h s ASP 64 Cb -0.17 -2.13 -0.04 0.00 -1.46 0.00 0.00 42.92 39.12 2k1h s ASP 64 CO 0.04 -0.25 -0.19 -0.54 0.52 0.00 0.00 175.17 174.76 2k1h s LYS 65 N 1.71 1.19 1.11 4.34 1.02 -1.20 -1.17 119.74 126.74 2k1h s LYS 65 Ca 0.06 -1.29 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 2k1h s LYS 65 Cb -0.17 -1.31 0.25 0.00 -0.52 0.00 0.00 37.83 36.07 2k1h s LYS 65 CO 0.10 0.28 1.05 -2.00 -0.92 0.00 0.00 175.35 173.87 2k1h s GLU 66 N -2.43 -0.47 0.52 1.68 2.12 0.62 -4.70 118.70 116.04 2k1h s GLU 66 Ca 0.11 0.94 0.34 0.00 0.36 0.00 0.00 54.97 56.73 2k1h s GLU 66 Cb -0.07 -1.60 1.61 0.00 0.26 0.00 0.00 34.13 34.33 2k1h s GLU 66 CO 0.05 -3.45 2.03 0.22 -0.54 0.00 0.00 175.26 173.57 2k1h h ASP 67 N -2.43 0.00 -0.11 -1.70 3.58 -1.94 -1.51 116.42 112.31 2k1h h ASP 67 Ca -0.58 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2k1h h ASP 67 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2k1h h ASP 67 CO 0.49 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.65 2k1h n ASN 68 N -2.87 1.03 -4.90 2.28 5.15 -1.26 -4.85 115.26 109.84 2k1h n ASN 68 Ca -0.00 -1.61 -0.32 0.00 -0.60 0.00 0.00 54.58 52.04 2k1h n ASN 68 Cb 0.20 -0.07 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1h s ALA 69 N -1.87 3.83 -0.03 5.20 0.00 -0.57 -5.00 121.76 123.32 2k1h s ALA 69 Ca 0.30 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2k1h s ALA 69 Cb 0.15 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 21.22 2k1h s ALA 69 CO 0.24 0.69 0.02 1.21 0.00 0.00 0.00 175.76 177.92 2k1h s ASN 70 N -2.39 0.63 0.56 0.00 3.04 -1.26 -4.87 114.94 110.66 2k1h s ASN 70 Ca 0.39 -0.00 0.25 0.00 0.04 0.00 0.00 52.86 53.54 2k1h s ASN 70 Cb -0.12 -0.21 1.54 0.00 -1.54 0.00 0.00 41.25 40.92 2k1h s ASN 70 CO 0.25 -0.14 2.12 -0.50 -3.04 0.00 0.00 177.10 175.78 2k1h h TRP 71 N 7.61 0.00 -0.43 0.43 6.55 -1.96 -0.68 115.95 127.47 2k1h h TRP 71 Ca -0.35 0.00 0.13 0.00 0.95 0.00 0.00 58.89 59.62 2k1h h TRP 71 Cb 1.13 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.41 2k1h h TRP 71 CO 0.50 0.00 0.32 -0.91 -1.05 0.00 0.00 178.44 177.30 2k1h h ASN 72 N 0.00 0.00 0.54 -3.49 -0.26 -2.01 0.11 115.58 110.48 2k1h h ASN 72 Ca 0.08 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.53 2k1h h ASN 72 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2k1h h ASN 72 CO -0.00 0.00 -1.36 -0.33 -1.06 0.00 0.00 177.43 174.68 2k1h h GLU 73 N 0.00 0.28 -0.30 0.81 5.08 -1.55 -3.34 114.58 115.56 2k1h h GLU 73 Ca 0.21 -0.49 -0.17 0.00 -1.00 0.00 0.00 59.36 57.91 2k1h h GLU 73 Cb 0.84 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k1h h GLU 73 CO -0.00 1.20 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.66 2k1h h LEU 74 N 0.08 0.88 -0.74 1.33 -0.00 -0.94 -3.29 115.31 112.63 2k1h h LEU 74 Ca -0.18 -0.44 0.07 0.00 -0.00 0.00 0.00 57.88 57.33 2k1h h LEU 74 Cb 2.00 -0.25 -0.09 0.00 -0.00 0.00 0.00 40.66 42.33 2k1h h LEU 74 CO 0.19 1.21 -0.43 0.18 -0.00 0.00 0.00 178.44 179.59 2k1h n LEU 75 N -4.02 -0.78 0.29 1.67 4.77 0.16 0.37 117.00 119.46 2k1h n LEU 75 Ca -0.03 1.57 0.15 0.00 -0.03 0.00 0.00 56.01 57.67 2k1h n LEU 75 Cb 0.58 -0.30 0.85 0.00 -2.33 0.00 0.00 43.42 42.23 2k1h n LEU 75 CO 0.49 -1.20 1.06 1.55 -1.33 0.00 0.00 177.39 177.95 2k1h h PRO 76 N 0.00 0.00 0.08 3.23 0.13 -1.75 -0.26 132.00 133.43 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 0.06 -0.04 1.96 -0.23 0.00 0.00 178.00 179.06 2k1h h GLN 77 N 0.00 -0.11 -0.47 0.86 1.08 -0.15 -3.25 115.11 113.07 2k1h h GLN 77 Ca -0.00 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 2k1h h GLN 77 Cb 0.18 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2k1h h GLN 77 CO 0.01 0.40 -0.12 -0.84 -0.95 0.00 0.00 178.83 177.33 2k1h h ILE 78 N -0.91 1.27 -0.81 2.54 3.07 -0.58 -2.71 117.51 119.38 2k1h h ILE 78 Ca -0.01 -1.25 0.23 0.00 1.55 0.00 0.00 64.86 65.38 2k1h h ILE 78 Cb 0.56 1.11 -0.03 0.00 -0.27 0.00 0.00 36.82 38.19 2k1h h ILE 78 CO 0.02 0.43 0.66 -0.08 -1.05 0.00 0.00 178.15 178.13 2k1h h GLU 79 N 0.75 0.00 -0.42 0.16 4.22 -1.17 0.62 114.58 118.74 2k1h h GLU 79 Ca 0.12 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.59 2k1h h GLU 79 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2k1h h GLU 79 CO 0.05 0.00 0.28 -0.97 -2.18 0.00 0.00 179.01 176.19 2k1h h ASN 80 N 0.00 0.37 -0.41 1.04 -1.24 -1.51 -1.45 115.58 112.38 2k1h h ASN 80 Ca 0.38 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.35 2k1h h ASN 80 Cb 1.70 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.65 2k1h h ASN 80 CO -0.00 0.26 0.11 0.71 -1.29 0.00 0.00 177.43 177.21 2k1h h THR 81 N 0.43 1.23 -0.46 -3.57 1.35 0.11 -2.75 112.91 109.25 2k1h h THR 81 Ca 0.18 -0.77 -0.05 0.00 -0.55 0.00 0.00 66.41 65.21 2k1h h THR 81 Cb 0.16 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 2k1h h THR 81 CO -0.04 0.27 0.06 0.15 -0.25 0.00 0.00 175.52 175.71 2k1h h PHE 82 N 0.52 0.74 -0.79 4.73 3.57 -1.36 -2.93 116.94 121.43 2k1h h PHE 82 Ca 0.13 -0.08 0.19 0.00 3.53 0.00 0.00 57.97 61.74 2k1h h PHE 82 Cb 0.30 -0.21 -0.13 0.00 2.79 0.00 0.00 35.95 38.69 2k1h h PHE 82 CO 0.02 0.67 0.06 0.00 -2.23 0.00 0.00 178.31 176.83 2k1h h ALA 83 N 1.38 0.91 -0.05 2.41 0.00 -0.99 0.60 119.26 123.52 2k1h h ALA 83 Ca 0.15 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2k1h h ALA 83 Cb 0.34 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k1h h ALA 83 CO 0.01 -0.43 0.02 0.87 0.00 0.00 0.00 179.25 179.72 2k1h h LYS 84 N 0.13 0.08 0.14 0.00 1.57 -1.56 -3.13 116.57 113.80 2k1h h LYS 84 Ca 0.45 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2k1h h LYS 84 Cb 0.82 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2k1h h LYS 84 CO -0.66 0.19 -0.07 0.66 -0.57 0.00 0.00 179.45 179.00 2k1h h SER 85 N -0.05 -0.16 0.00 0.86 4.64 -0.99 -3.53 113.55 114.32 2k1h h SER 85 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2k1h h SER 85 Cb 0.13 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2k1h h SER 85 CO -0.00 -0.11 0.00 -3.20 -0.87 0.00 0.00 176.83 172.65