#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 0.01 -0.04 2.12 2.12 -1.26 -5.00 118.70 116.65 2k1h s GLU 2 Ca 0.00 0.23 -0.32 0.00 0.36 0.00 0.00 54.97 55.23 2k1h s GLU 2 Cb 0.00 -0.19 -0.10 0.00 0.26 0.00 0.00 34.13 34.09 2k1h s GLU 2 CO 0.00 -0.15 1.93 0.44 -0.54 0.00 0.00 175.26 176.95 2k1h n ILE 3 N 4.05 0.67 -0.04 -3.70 -5.35 -1.26 -4.60 119.36 109.13 2k1h n ILE 3 Ca -0.25 -0.12 -0.15 0.00 -0.27 0.00 0.00 62.75 61.95 2k1h n ILE 3 Cb 0.52 -2.09 -0.12 0.00 -1.74 0.00 0.00 39.64 36.21 2k1h n ILE 3 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k1h h ILE 4 N 5.57 1.63 -2.81 7.28 5.03 -1.93 -3.49 117.51 128.80 2k1h h ILE 4 Ca -0.49 -2.05 0.06 0.00 -0.12 0.00 0.00 64.86 62.26 2k1h h ILE 4 Cb 1.26 2.98 -0.01 0.00 -3.03 0.00 0.00 36.82 38.02 2k1h h ILE 4 CO 0.95 0.54 0.41 0.00 -0.68 0.00 0.00 178.15 179.37 2k1h s ALA 5 N -2.85 -1.10 -0.08 1.87 0.00 -1.16 -5.07 121.76 113.36 2k1h s ALA 5 Ca -0.17 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2k1h s ALA 5 Cb -0.01 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.85 2k1h s ALA 5 CO 0.72 -1.02 -0.07 0.96 0.00 0.00 0.00 175.76 176.34 2k1h s ILE 6 N -2.21 0.88 -0.44 0.00 -4.36 -1.26 -3.35 121.20 110.45 2k1h s ILE 6 Ca 0.18 -0.26 -0.23 0.00 -0.26 0.00 0.00 60.65 60.08 2k1h s ILE 6 Cb -0.04 -0.87 0.02 0.00 1.25 0.00 0.00 42.46 42.82 2k1h s ILE 6 CO 0.09 0.32 0.76 -0.55 0.24 0.00 0.00 174.94 175.80 2k1h s SER 7 N 1.22 6.40 -0.68 4.36 0.15 -0.04 -5.00 113.70 120.12 2k1h s SER 7 Ca -0.05 -0.12 -0.23 0.00 0.70 0.00 0.00 55.95 56.25 2k1h s SER 7 Cb -0.14 -2.37 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 2k1h s SER 7 CO -0.02 -0.88 1.02 -1.61 1.20 0.00 0.00 173.24 172.95 2k1h s GLU 8 N 3.19 3.14 0.53 5.44 2.02 -1.26 -3.07 118.70 128.68 2k1h s GLU 8 Ca 0.29 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 2k1h s GLU 8 Cb -0.13 -4.26 -0.04 0.00 0.10 0.00 0.00 34.13 29.81 2k1h s GLU 8 CO 0.22 -1.87 0.87 -0.08 0.02 0.00 0.00 175.26 174.42 2k1h s THR 9 N 4.28 4.83 0.00 3.63 -1.32 -1.26 -4.91 115.64 120.89 2k1h s THR 9 Ca 0.25 0.47 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 2k1h s THR 9 Cb -0.15 -3.86 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 2k1h s THR 9 CO 0.10 -0.93 0.30 -0.81 -2.21 0.00 0.00 174.62 171.07 2k1h n PRO 10 N -2.37 0.27 -0.40 7.08 -0.04 -1.26 -4.72 135.00 133.56 2k1h n PRO 10 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2k1h n PRO 10 Cb 0.55 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.98 0.00 -0.05 3.54 5.03 -1.26 -5.09 115.26 118.41 2k1h n ASN 11 Ca 0.00 -0.59 -0.10 0.00 0.87 0.00 0.00 54.58 54.76 2k1h n ASN 11 Cb 0.14 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 2k1h n ASN 11 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2k1h n HIS 12 N -0.79 0.00 -0.51 3.10 8.25 -1.26 -4.85 115.22 119.16 2k1h n HIS 12 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k1h n HIS 12 Cb 0.00 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.72 2k1h n HIS 12 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2k1h n ASN 13 N -3.92 1.09 -4.50 0.41 4.13 -1.26 -5.01 115.26 106.19 2k1h n ASN 13 Ca -0.17 -1.59 -0.34 0.00 1.68 0.00 0.00 54.58 54.17 2k1h n ASN 13 Cb 0.46 -0.01 -0.12 0.00 -1.54 0.00 0.00 39.78 38.56 2k1h n ASN 13 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2k1h s THR 14 N -0.59 3.86 0.03 3.41 2.01 -1.26 -4.34 115.64 118.76 2k1h s THR 14 Ca 0.01 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 2k1h s THR 14 Cb 0.01 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.86 2k1h s THR 14 CO 0.00 0.50 0.34 0.00 -0.69 0.00 0.00 174.62 174.77 2k1h s MET 15 N 0.26 0.81 -0.15 4.92 0.23 -1.26 -4.51 119.30 119.59 2k1h s MET 15 Ca -0.03 -0.38 -0.07 0.00 -1.03 0.00 0.00 55.69 54.18 2k1h s MET 15 Cb -0.14 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.47 2k1h s MET 15 CO 0.03 -0.26 0.08 0.21 -2.03 0.00 0.00 175.02 173.06 2k1h s LYS 16 N -2.21 3.70 -0.34 3.16 2.20 -1.18 -4.11 119.74 120.97 2k1h s LYS 16 Ca -0.07 -0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 55.20 2k1h s LYS 16 Cb -0.02 -3.17 0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2k1h s LYS 16 CO -0.01 0.49 0.10 0.08 -0.36 0.00 0.00 175.35 175.65 2k1h s VAL 17 N -0.22 3.80 -0.03 4.02 1.01 -1.14 -0.86 120.40 126.98 2k1h s VAL 17 Ca 0.09 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 2k1h s VAL 17 Cb -0.12 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2k1h s VAL 17 CO 0.01 -0.16 0.53 -0.44 0.00 0.00 0.00 175.10 175.05 2k1h s SER 18 N 1.41 6.87 -0.12 3.32 0.01 -1.21 -3.05 113.70 120.93 2k1h s SER 18 Ca -0.01 1.03 -0.30 0.00 1.31 0.00 0.00 55.95 57.98 2k1h s SER 18 Cb -0.19 -2.32 0.12 0.00 0.21 0.00 0.00 66.02 63.83 2k1h s SER 18 CO 0.03 0.11 0.94 -1.48 0.41 0.00 0.00 173.24 173.24 2k1h s LEU 19 N -0.11 -0.41 -1.15 2.44 2.34 -1.11 -3.01 118.68 117.67 2k1h s LEU 19 Ca 0.28 0.37 -0.18 0.00 0.06 0.00 0.00 54.13 54.66 2k1h s LEU 19 Cb -0.17 1.98 0.10 0.00 -0.56 0.00 0.00 46.19 47.54 2k1h s LEU 19 CO 0.15 -0.43 1.49 -0.44 -1.06 0.00 0.00 176.35 176.06 2k1h s SER 20 N -1.38 6.78 0.28 1.48 0.01 -1.26 -4.38 113.70 115.24 2k1h s SER 20 Ca -0.02 -2.29 -0.03 0.00 1.31 0.00 0.00 55.95 54.92 2k1h s SER 20 Cb -0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 2k1h s SER 20 CO 0.01 -1.12 0.52 -1.61 0.41 0.00 0.00 173.24 171.45 2k1h s GLU 21 N 3.46 3.58 0.39 12.44 2.02 -1.26 -3.83 118.70 135.50 2k1h s GLU 21 Ca 0.46 -0.13 -0.27 0.00 0.02 0.00 0.00 54.97 55.05 2k1h s GLU 21 Cb -0.00 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.45 2k1h s GLU 21 CO -0.01 0.23 1.39 -1.25 0.02 0.00 0.00 175.26 175.64 2k1h s PRO 22 N -3.67 4.04 0.00 0.39 0.04 -1.26 -4.74 135.00 129.80 2k1h s PRO 22 Ca 0.42 2.36 0.21 0.00 0.04 0.00 0.00 61.00 64.03 2k1h s PRO 22 Cb -0.11 -2.88 0.55 0.00 0.04 0.00 0.00 34.50 32.11 2k1h s PRO 22 CO 0.31 -0.50 1.47 2.89 0.04 0.00 0.00 177.00 181.21 2k1h n ARG 23 N 0.32 2.47 -0.11 4.56 -4.01 -1.26 -4.48 116.66 114.15 2k1h n ARG 23 Ca 0.02 -2.26 -0.05 0.00 -1.04 0.00 0.00 57.85 54.52 2k1h n ARG 23 Cb 0.41 -1.50 0.01 0.00 -3.04 0.00 0.00 32.46 28.34 2k1h n ARG 23 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 2k1h h GLN 24 N 3.91 0.03 -2.18 2.89 4.15 -1.99 -3.19 115.11 118.73 2k1h h GLN 24 Ca 0.00 -0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 2k1h h GLN 24 Cb 0.88 -0.01 -0.41 0.00 0.21 0.00 0.00 27.48 28.15 2k1h h GLN 24 CO 0.00 0.02 -0.84 -0.40 -1.93 0.00 0.00 178.83 175.68 2k1h n ASP 25 N -5.26 3.16 -2.29 -0.69 5.75 -1.26 -4.95 116.55 111.01 2k1h n ASP 25 Ca 0.02 -3.44 -0.08 0.00 -0.01 0.00 0.00 54.79 51.28 2k1h n ASP 25 Cb 0.21 -0.58 -0.09 0.00 -1.03 0.00 0.00 41.12 39.62 2k1h n ASP 25 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2k1h n ASN 26 N -0.04 3.13 -4.86 -1.12 6.94 -1.21 -4.86 115.26 113.25 2k1h n ASN 26 Ca 0.29 -2.08 -0.32 0.00 -0.02 0.00 0.00 54.58 52.45 2k1h n ASN 26 Cb 0.49 -0.83 -0.05 0.00 -2.36 0.00 0.00 39.78 37.03 2k1h n ASN 26 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2k1h s SER 27 N 2.51 6.67 -0.19 0.53 0.15 -1.26 -4.32 113.70 117.78 2k1h s SER 27 Ca 0.38 1.29 -0.09 0.00 0.70 0.00 0.00 55.95 58.24 2k1h s SER 27 Cb 0.18 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2k1h s SER 27 CO -0.00 -0.34 0.09 0.72 1.20 0.00 0.00 173.24 174.90 2k1h s PHE 28 N -2.24 3.32 -0.28 3.44 -0.12 -1.25 -4.19 117.98 116.67 2k1h s PHE 28 Ca 0.54 0.18 -0.22 0.00 -0.05 0.00 0.00 56.93 57.39 2k1h s PHE 28 Cb -0.10 -2.11 0.12 0.00 -0.63 0.00 0.00 43.02 40.29 2k1h s PHE 28 CO 0.24 0.21 0.93 0.99 -0.05 0.00 0.00 175.22 177.55 2k1h s THR 29 N 0.36 0.00 -0.32 -4.49 2.01 -1.25 -5.01 115.64 106.94 2k1h s THR 29 Ca 0.05 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 2k1h s THR 29 Cb -0.12 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2k1h s THR 29 CO -0.01 0.00 0.36 0.28 -0.69 0.00 0.00 174.62 174.56 2k1h s THR 30 N 0.70 5.17 0.07 -0.82 -1.32 -1.26 -3.59 115.64 114.59 2k1h s THR 30 Ca -0.02 0.17 -0.02 0.00 -1.21 0.00 0.00 61.69 60.60 2k1h s THR 30 Cb -0.05 -3.78 -0.03 0.00 -1.51 0.00 0.00 72.50 67.13 2k1h s THR 30 CO -0.09 -0.02 0.02 -0.72 -2.21 0.00 0.00 174.62 171.60 2k1h s TYR 31 N 2.02 0.49 -0.30 9.09 -0.85 -1.00 -4.85 117.35 121.95 2k1h s TYR 31 Ca 0.12 -1.00 -0.14 0.00 -0.52 0.00 0.00 57.07 55.53 2k1h s TYR 31 Cb -0.16 -0.34 0.17 0.00 0.38 0.00 0.00 41.96 42.01 2k1h s TYR 31 CO 0.11 -0.43 1.02 -0.08 -1.52 0.00 0.00 175.55 174.65 2k1h s THR 32 N -3.92 -0.43 0.00 -3.49 -1.32 -1.26 -2.69 115.64 102.52 2k1h s THR 32 Ca 0.09 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 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 -0.09 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.32 2k1h n ALA 33 N 5.10 0.00 -2.64 11.08 0.00 -1.26 -5.06 120.51 127.73 2k1h n ALA 33 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2k1h n ALA 33 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.09 3.55 0.00 0.00 0.00 -1.26 -4.61 121.76 119.35 2k1h s ALA 34 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 2k1h s ALA 34 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.50 2k1h s ALA 34 CO 0.00 -1.36 0.22 -0.65 0.00 0.00 0.00 175.76 173.98 2k1h s GLN 35 N 3.51 0.60 0.36 0.00 -0.21 -1.26 -5.07 119.66 117.59 2k1h s GLN 35 Ca 0.45 -0.35 -0.27 0.00 0.02 0.00 0.00 55.36 55.20 2k1h s GLN 35 Cb -0.13 0.26 -0.09 0.00 1.00 0.00 0.00 33.01 34.05 2k1h s GLN 35 CO 0.13 -0.16 1.23 -2.00 -2.12 0.00 0.00 175.29 172.37 2k1h s GLU 36 N -1.57 4.23 0.00 2.91 2.12 -1.26 -2.56 118.70 122.57 2k1h s GLU 36 Ca -0.13 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.23 2k1h s GLU 36 Cb -0.05 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2k1h s GLU 36 CO 0.02 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 2k1h n GLY 37 N 0.78 1.77 3.91 -1.50 0.00 -1.26 -5.03 105.19 103.86 2k1h n GLY 37 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.36 3.48 -0.11 1.61 -1.52 -1.06 -5.03 119.66 116.68 2k1h s GLN 38 Ca 0.00 -0.29 -0.41 0.00 -1.95 0.00 0.00 55.36 52.71 2k1h s GLN 38 Cb 0.00 -3.05 -0.19 0.00 -0.22 0.00 0.00 33.01 29.55 2k1h s GLN 38 CO 0.00 0.63 1.24 -2.30 -0.25 0.00 0.00 175.29 174.61 2k1h n PRO 39 N 0.67 0.18 0.23 2.91 -0.02 -1.26 -4.82 135.00 132.89 2k1h n PRO 39 Ca -0.08 0.06 0.10 0.00 -2.02 0.00 0.00 63.50 61.56 2k1h n PRO 39 Cb 0.52 -1.59 0.51 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 3.78 0.00 0.00 -0.52 5.08 -1.95 -2.34 114.58 118.62 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 0.75 0.23 0.00 1.19 -1.00 0.00 0.00 179.01 180.17 2k1h n PHE 41 N -3.52 0.49 -0.06 4.33 3.72 -1.26 -1.88 117.46 119.29 2k1h n PHE 41 Ca -0.01 0.22 -0.08 0.00 -0.05 0.00 0.00 57.45 57.54 2k1h n PHE 41 Cb 0.39 -0.86 -0.06 0.00 -0.94 0.00 0.00 39.48 38.01 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 -1.97 0.68 -0.24 4.37 2.08 -0.95 -4.52 119.36 118.81 2k1h n ILE 42 Ca 0.01 -0.29 -0.05 0.00 0.56 0.00 0.00 62.75 62.97 2k1h n ILE 42 Cb 0.12 -0.89 0.10 0.00 -0.75 0.00 0.00 39.64 38.22 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 1.01 -0.49 4.38 2.35 -1.27 -2.52 115.58 119.04 2k1h h ASN 43 Ca -0.27 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 2k1h h ASN 43 Cb 1.45 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 2k1h h ASN 43 CO -0.03 0.93 0.26 0.03 -1.65 0.00 0.00 177.43 176.98 2k1h h ARG 44 N 1.05 0.71 -0.42 0.81 2.47 -1.63 -2.10 114.38 115.26 2k1h h ARG 44 Ca 0.23 -0.08 -0.10 0.00 -1.26 0.00 0.00 59.98 58.78 2k1h h ARG 44 Cb 0.28 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 2k1h h ARG 44 CO -0.01 0.54 -0.14 -0.07 0.56 0.00 0.00 179.97 180.85 2k1h h LEU 45 N 0.72 0.78 -1.97 3.04 4.07 -1.69 -2.49 115.31 117.77 2k1h h LEU 45 Ca 0.18 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 2k1h h LEU 45 Cb 0.05 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 2k1h h LEU 45 CO -0.03 0.94 -0.04 0.15 -1.08 0.00 0.00 178.44 178.38 2k1h h PHE 46 N 0.70 0.00 0.00 1.13 3.57 -1.15 -1.94 116.94 119.25 2k1h h PHE 46 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2k1h h PHE 46 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2k1h h PHE 46 CO 0.03 0.04 0.00 -1.91 -2.23 0.00 0.00 178.31 174.24 2k1h n GLU 47 N -3.22 0.29 -5.11 1.11 4.07 -0.94 -4.62 120.64 112.22 2k1h n GLU 47 Ca -0.01 0.11 -0.32 0.00 -0.06 0.00 0.00 57.16 56.88 2k1h n GLU 47 Cb 0.23 -1.50 -0.16 0.00 -0.06 0.00 0.00 31.44 29.96 2k1h n GLU 47 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2k1h s ILE 48 N -2.45 2.40 0.15 6.31 -1.16 -0.73 -5.10 121.20 120.62 2k1h s ILE 48 Ca 0.17 -0.93 -0.30 0.00 -0.51 0.00 0.00 60.65 59.08 2k1h s ILE 48 Cb 0.11 -1.92 -0.07 0.00 0.61 0.00 0.00 42.46 41.18 2k1h s ILE 48 CO 0.23 0.56 1.22 -1.83 -2.81 0.00 0.00 174.94 172.31 2k1h s GLU 49 N -0.08 4.46 0.00 3.50 -1.05 -1.26 -3.95 118.70 120.31 2k1h s GLU 49 Ca -0.05 1.87 0.00 0.00 -0.15 0.00 0.00 54.97 56.65 2k1h s GLU 49 Cb -0.14 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.28 2k1h s GLU 49 CO 0.04 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.50 2k1h n GLY 50 N 2.55 4.19 3.74 -3.83 0.00 -1.26 -4.68 105.19 105.90 2k1h n GLY 50 Ca 0.06 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 2k1h n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1h s VAL 51 N 0.00 2.65 -0.01 1.61 0.11 -1.25 -1.36 120.40 122.14 2k1h s VAL 51 Ca 0.00 0.54 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2k1h s VAL 51 Cb 0.00 -3.35 -0.01 0.00 -1.53 0.00 0.00 36.38 31.49 2k1h s VAL 51 CO 0.00 0.08 0.00 0.29 -3.33 0.00 0.00 175.10 172.15 2k1h n LYS 52 N 2.40 3.48 -3.49 1.54 5.02 -1.00 -4.97 118.16 121.14 2k1h n LYS 52 Ca 0.07 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.21 2k1h n LYS 52 Cb 0.40 -1.03 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 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 -3.22 -0.59 -0.06 4.39 1.04 -1.25 -4.86 113.70 109.14 2k1h s SER 53 Ca -0.01 0.41 -0.00 0.00 0.48 0.00 0.00 55.95 56.83 2k1h s SER 53 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.68 2k1h s SER 53 CO 0.04 -0.72 -0.02 -0.63 0.98 0.00 0.00 173.24 172.89 2k1h s ILE 54 N -2.19 0.47 -0.19 -1.02 1.01 -1.10 -2.84 121.20 115.34 2k1h s ILE 54 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 2k1h s ILE 54 Cb -0.00 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 2k1h s ILE 54 CO 0.00 0.24 0.10 -0.36 0.00 0.00 0.00 174.94 174.92 2k1h s PHE 55 N 1.39 3.33 -0.20 3.97 0.40 -1.04 -2.38 117.98 123.46 2k1h s PHE 55 Ca -0.04 0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 2k1h s PHE 55 Cb -0.13 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.31 2k1h s PHE 55 CO -0.03 0.23 -0.18 -0.47 0.70 0.00 0.00 175.22 175.47 2k1h s TYR 56 N 0.35 2.88 -0.22 0.36 5.04 -1.24 -2.90 117.35 121.62 2k1h s TYR 56 Ca 0.06 -1.77 -0.27 0.00 -2.44 0.00 0.00 57.07 52.65 2k1h s TYR 56 Cb -0.12 -1.93 0.10 0.00 0.35 0.00 0.00 41.96 40.37 2k1h s TYR 56 CO -0.01 -0.82 0.89 0.54 -1.34 0.00 0.00 175.55 174.81 2k1h s VAL 57 N 1.26 0.00 0.00 3.14 0.11 -1.23 -3.76 120.40 119.91 2k1h s VAL 57 Ca 0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 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 -0.11 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.55 2k1h n LEU 58 N 1.83 0.00 -1.56 2.54 0.00 -1.26 -3.05 117.00 115.50 2k1h n LEU 58 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 56.01 55.95 2k1h n LEU 58 Cb 0.56 0.00 0.33 0.00 0.00 0.00 0.00 43.42 44.32 2k1h n LEU 58 CO 0.09 -0.00 0.78 0.47 0.00 0.00 0.00 177.39 178.72 2k1h n ASP 59 N -2.53 4.62 -4.00 1.96 8.00 -1.26 -4.77 116.55 118.57 2k1h n ASP 59 Ca 0.00 -2.56 -0.08 0.00 0.71 0.00 0.00 54.79 52.86 2k1h n ASP 59 Cb 0.00 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 2k1h n ASP 59 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2k1h s PHE 60 N -2.10 0.34 0.08 1.24 -0.12 -1.17 -2.74 117.98 113.51 2k1h s PHE 60 Ca 0.46 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.61 2k1h s PHE 60 Cb 0.32 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 2k1h s PHE 60 CO 0.19 -0.37 -0.09 0.96 -0.05 0.00 0.00 175.22 175.86 2k1h s ILE 61 N -3.19 0.79 -0.12 -4.49 -4.36 -1.17 -3.55 121.20 105.10 2k1h s ILE 61 Ca 0.00 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2k1h s ILE 61 Cb 0.02 -1.15 0.02 0.00 1.25 0.00 0.00 42.46 42.60 2k1h s ILE 61 CO -0.07 -0.53 -0.14 -0.94 0.24 0.00 0.00 174.94 173.50 2k1h s SER 62 N -2.22 2.45 -0.18 4.36 1.04 -1.14 -2.90 113.70 115.10 2k1h s SER 62 Ca 0.01 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2k1h s SER 62 Cb -0.04 -1.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.98 2k1h s SER 62 CO -0.01 -0.02 -0.01 -0.63 0.98 0.00 0.00 173.24 173.55 2k1h s ILE 63 N 1.23 3.98 -0.26 -1.02 1.09 -1.26 -2.49 121.20 122.47 2k1h s ILE 63 Ca -0.02 -0.31 -0.09 0.00 -1.10 0.00 0.00 60.65 59.13 2k1h s ILE 63 Cb -0.14 -2.78 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 2k1h s ILE 63 CO -0.05 0.46 0.12 -1.81 -0.10 0.00 0.00 174.94 173.56 2k1h s ASP 64 N 0.67 5.54 0.04 3.58 1.01 -1.13 -4.41 116.67 121.96 2k1h s ASP 64 Ca -0.01 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.16 2k1h s ASP 64 Cb -0.14 -2.01 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 2k1h s ASP 64 CO 0.02 -0.04 -0.08 -0.54 0.21 0.00 0.00 175.17 174.75 2k1h s LYS 65 N 1.65 0.52 1.26 8.23 1.02 -1.26 -2.38 119.74 128.79 2k1h s LYS 65 Ca 0.07 -0.67 -0.16 0.00 0.02 0.00 0.00 55.97 55.22 2k1h s LYS 65 Cb -0.15 -0.33 0.31 0.00 -0.52 0.00 0.00 37.83 37.13 2k1h s LYS 65 CO 0.07 0.07 0.87 0.39 -0.92 0.00 0.00 175.35 175.82 2k1h n GLU 66 N 1.70 -3.12 0.10 1.68 1.02 -0.47 -4.76 120.64 116.79 2k1h n GLU 66 Ca -0.21 -0.90 0.11 0.00 -0.02 0.00 0.00 57.16 56.15 2k1h n GLU 66 Cb 0.55 -2.04 0.45 0.00 -0.02 0.00 0.00 31.44 30.39 2k1h n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k1h n ASP 67 N -4.85 0.55 -0.86 1.62 8.00 -1.26 -2.64 116.55 117.11 2k1h n ASP 67 Ca 0.05 0.61 0.06 0.00 0.71 0.00 0.00 54.79 56.22 2k1h n ASP 67 Cb 0.56 -0.74 0.19 0.00 -0.02 0.00 0.00 41.12 41.11 2k1h n ASP 67 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k1h n ASN 68 N -2.08 2.49 -4.89 -2.24 3.02 -1.26 -4.89 115.26 105.41 2k1h n ASN 68 Ca 0.03 -2.11 -0.32 0.00 -0.03 0.00 0.00 54.58 52.15 2k1h n ASN 68 Cb 0.26 -0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k1h s ALA 69 N -1.57 3.90 -0.05 5.41 0.00 -1.08 -4.98 121.76 123.39 2k1h s ALA 69 Ca 0.28 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2k1h s ALA 69 Cb 0.16 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2k1h s ALA 69 CO 0.16 0.77 0.04 0.54 0.00 0.00 0.00 175.76 177.27 2k1h s ASN 70 N -2.16 1.22 0.43 0.00 4.22 -1.26 -4.83 114.94 112.56 2k1h s ASN 70 Ca 0.30 0.02 0.30 0.00 -2.14 0.00 0.00 52.86 51.34 2k1h s ASN 70 Cb -0.13 -0.24 1.46 0.00 1.28 0.00 0.00 41.25 43.62 2k1h s ASN 70 CO 0.22 -0.22 1.91 -0.50 -2.04 0.00 0.00 177.10 176.47 2k1h h TRP 71 N 8.32 0.00 -0.00 1.54 4.06 -1.95 -2.26 115.95 125.65 2k1h h TRP 71 Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 2k1h h TRP 71 Cb 1.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 2k1h h TRP 71 CO 0.48 0.00 0.02 -0.91 -3.56 0.00 0.00 178.44 174.47 2k1h h ASN 72 N 0.00 0.00 0.10 -3.49 -0.26 -2.02 -0.93 115.58 108.98 2k1h h ASN 72 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.38 2k1h h ASN 72 Cb 0.20 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.40 2k1h h ASN 72 CO 0.00 0.00 -2.26 -0.62 -1.06 0.00 0.00 177.43 173.49 2k1h n GLU 73 N -3.19 0.68 -0.05 0.81 -0.58 -0.85 -4.40 120.64 113.05 2k1h n GLU 73 Ca -0.03 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.64 2k1h n GLU 73 Cb 0.09 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.37 2k1h n GLU 73 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2k1h h LEU 74 N 0.00 0.87 -0.66 -4.62 4.07 -1.38 -3.26 115.31 110.33 2k1h h LEU 74 Ca -0.50 -0.47 0.06 0.00 0.08 0.00 0.00 57.88 57.05 2k1h h LEU 74 Cb 2.19 -0.25 -0.08 0.00 1.08 0.00 0.00 40.66 43.60 2k1h h LEU 74 CO 0.04 1.25 -0.39 0.18 -1.08 0.00 0.00 178.44 178.43 2k1h n LEU 75 N -3.99 -0.70 0.29 1.67 4.32 -0.45 0.12 117.00 118.26 2k1h n LEU 75 Ca -0.04 1.49 0.17 0.00 -0.02 0.00 0.00 56.01 57.61 2k1h n LEU 75 Cb 0.62 -0.31 0.89 0.00 -1.62 0.00 0.00 43.42 43.01 2k1h n LEU 75 CO 0.49 -1.12 1.06 1.55 -1.22 0.00 0.00 177.39 178.16 2k1h h PRO 76 N 0.00 0.00 0.11 3.23 0.13 -1.82 0.69 132.00 134.34 2k1h h PRO 76 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2k1h h PRO 76 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 2k1h h PRO 76 CO -0.62 0.05 -0.05 0.37 -0.23 0.00 0.00 178.00 177.51 2k1h h GLN 77 N 0.00 -0.14 -0.18 0.86 4.15 0.87 -3.24 115.11 117.42 2k1h h GLN 77 Ca -0.00 0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.23 2k1h h GLN 77 Cb 0.23 0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.96 2k1h h GLN 77 CO 0.01 0.31 -0.65 -0.84 -1.93 0.00 0.00 178.83 175.72 2k1h h ILE 78 N -0.92 1.29 -0.88 2.39 3.07 -0.28 -3.11 117.51 119.07 2k1h h ILE 78 Ca -0.02 -1.87 0.25 0.00 1.55 0.00 0.00 64.86 64.78 2k1h h ILE 78 Cb 0.52 1.92 -0.04 0.00 -0.27 0.00 0.00 36.82 38.96 2k1h h ILE 78 CO 0.02 0.59 0.64 -0.08 -1.05 0.00 0.00 178.15 178.27 2k1h h GLU 79 N 0.49 0.01 -0.69 0.16 4.81 -1.01 0.54 114.58 118.89 2k1h h GLU 79 Ca -0.03 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2k1h h GLU 79 Cb 1.28 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2k1h h GLU 79 CO 0.14 0.01 0.23 -0.97 -0.73 0.00 0.00 179.01 177.69 2k1h h ASN 80 N 0.01 0.98 0.07 1.04 -0.73 -1.56 0.57 115.58 115.97 2k1h h ASN 80 Ca 0.42 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.39 2k1h h ASN 80 Cb 1.67 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 40.01 2k1h h ASN 80 CO -0.01 0.92 -0.03 0.74 -0.37 0.00 0.00 177.43 178.67 2k1h h THR 81 N 1.00 1.00 -0.43 -3.57 2.02 -0.05 -1.60 112.91 111.29 2k1h h THR 81 Ca 0.22 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 2k1h h THR 81 Cb 0.27 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2k1h h THR 81 CO -0.01 0.06 -0.16 -0.26 0.37 0.00 0.00 175.52 175.52 2k1h h PHE 82 N -0.21 0.98 -0.95 3.16 0.04 -1.37 -2.97 116.94 115.62 2k1h h PHE 82 Ca -0.01 -0.23 0.11 0.00 2.80 0.00 0.00 57.97 60.64 2k1h h PHE 82 Cb 0.17 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.01 2k1h h PHE 82 CO -0.04 1.00 0.58 0.00 -0.60 0.00 0.00 178.31 179.25 2k1h h ALA 83 N 0.84 1.42 0.72 2.45 0.00 0.26 0.72 119.26 125.66 2k1h h ALA 83 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2k1h h ALA 83 Cb 0.71 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k1h h ALA 83 CO 0.05 0.18 -0.34 -0.22 0.00 0.00 0.00 179.25 178.92 2k1h h LYS 84 N 0.93 -0.93 -0.42 0.00 1.63 -1.15 -3.21 116.57 113.43 2k1h h LYS 84 Ca 0.47 0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.36 2k1h h LYS 84 Cb 0.46 0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 2k1h h LYS 84 CO -0.27 -0.62 0.24 0.66 -3.45 0.00 0.00 179.45 176.02 2k1h h SER 85 N -1.05 0.38 0.00 4.20 4.64 -1.35 -3.52 113.55 116.85 2k1h h SER 85 Ca -0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2k1h h SER 85 Cb 0.74 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2k1h h SER 85 CO 0.16 0.27 0.00 -3.20 -0.87 0.00 0.00 176.83 173.20