#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 2.72 0.11 0.03 2.02 -1.26 -4.93 118.70 117.39 2k1h s GLU 2 Ca 0.00 -1.03 -0.34 0.00 0.02 0.00 0.00 54.97 53.63 2k1h s GLU 2 Cb 0.00 -2.75 -0.13 0.00 0.10 0.00 0.00 34.13 31.35 2k1h s GLU 2 CO 0.00 -0.36 1.65 -0.89 0.02 0.00 0.00 175.26 175.68 2k1h n ILE 3 N 4.57 0.13 -0.04 -1.63 5.41 -1.26 -4.55 119.36 121.99 2k1h n ILE 3 Ca -0.18 -0.02 -0.22 0.00 1.00 0.00 0.00 62.75 63.33 2k1h n ILE 3 Cb 0.47 -1.64 -0.13 0.00 -0.71 0.00 0.00 39.64 37.63 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 3.83 1.69 -3.67 1.39 -0.00 -1.06 -5.05 119.36 116.49 2k1h n ILE 4 Ca 0.18 -0.44 -0.02 0.00 -0.00 0.00 0.00 62.75 62.47 2k1h n ILE 4 Cb 0.29 -1.83 -0.01 0.00 -0.00 0.00 0.00 39.64 38.09 2k1h n ILE 4 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k1h s ALA 5 N -2.49 -1.93 -0.13 -1.39 0.00 -1.08 -5.06 121.76 109.68 2k1h s ALA 5 Ca -0.25 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2k1h s ALA 5 Cb 0.07 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 2k1h s ALA 5 CO 0.70 -1.00 -0.17 0.42 0.00 0.00 0.00 175.76 175.70 2k1h s ILE 6 N -2.87 2.63 -0.39 0.00 -1.09 -1.26 -2.15 121.20 116.07 2k1h s ILE 6 Ca 0.12 -0.81 -0.10 0.00 -2.23 0.00 0.00 60.65 57.64 2k1h s ILE 6 Cb 0.01 -2.08 0.05 0.00 -1.58 0.00 0.00 42.46 38.87 2k1h s ILE 6 CO -0.01 0.53 0.23 -0.44 -1.23 0.00 0.00 174.94 174.02 2k1h s SER 7 N 0.48 5.67 -0.32 3.58 0.01 -0.22 -4.98 113.70 117.92 2k1h s SER 7 Ca -0.12 -1.25 -0.29 0.00 1.31 0.00 0.00 55.95 55.60 2k1h s SER 7 Cb -0.16 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.08 2k1h s SER 7 CO 0.05 -0.46 1.08 -1.61 0.41 0.00 0.00 173.24 172.71 2k1h s GLU 8 N 1.49 4.06 0.71 12.44 2.02 -1.26 -2.68 118.70 135.47 2k1h s GLU 8 Ca 0.02 1.06 -0.02 0.00 0.02 0.00 0.00 54.97 56.06 2k1h s GLU 8 Cb -0.21 -3.74 0.11 0.00 0.10 0.00 0.00 34.13 30.39 2k1h s GLU 8 CO 0.04 -0.92 0.98 0.95 0.02 0.00 0.00 175.26 176.34 2k1h s THR 9 N 3.69 2.21 -1.57 3.63 -4.23 -1.26 -4.93 115.64 113.18 2k1h s THR 9 Ca 0.46 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2k1h s THR 9 Cb -0.12 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2k1h s THR 9 CO 0.16 0.00 0.29 -2.65 -0.54 0.00 0.00 174.62 171.88 2k1h n PRO 10 N -2.82 0.37 -2.77 3.99 -0.02 -1.26 -4.75 135.00 127.74 2k1h n PRO 10 Ca 0.13 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.40 2k1h n PRO 10 Cb 0.60 -1.08 0.10 0.00 -0.02 0.00 0.00 33.50 33.10 2k1h n PRO 10 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2k1h n ASN 11 N -0.15 1.71 -0.02 2.55 5.03 -1.26 -5.09 115.26 118.03 2k1h n ASN 11 Ca 0.00 -2.33 -0.06 0.00 0.87 0.00 0.00 54.58 53.06 2k1h n ASN 11 Cb 0.04 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.23 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 -2.61 0.00 -0.04 3.10 -0.00 -1.26 -4.76 115.22 109.64 2k1h n HIS 12 Ca 0.17 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 58.00 2k1h n HIS 12 Cb 0.60 -0.27 0.26 0.00 -0.00 0.00 0.00 29.99 30.58 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 -3.93 3.66 -4.31 0.26 0.23 -1.26 -4.90 115.26 105.00 2k1h n ASN 13 Ca -0.09 -1.99 -0.33 0.00 -0.53 0.00 0.00 54.58 51.65 2k1h n ASN 13 Cb 0.30 -0.36 -0.15 0.00 -2.08 0.00 0.00 39.78 37.49 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 -1.22 2.67 0.02 5.53 2.01 -1.26 -3.52 115.64 119.87 2k1h s THR 14 Ca 0.42 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 2k1h s THR 14 Cb 0.23 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 2k1h s THR 14 CO 0.31 0.54 -0.01 0.00 -0.69 0.00 0.00 174.62 174.77 2k1h s MET 15 N 0.34 0.38 -0.12 4.92 0.23 -1.25 -4.50 119.30 119.29 2k1h s MET 15 Ca -0.14 -0.69 -0.02 0.00 -1.03 0.00 0.00 55.69 53.81 2k1h s MET 15 Cb -0.17 0.14 -0.03 0.00 -1.53 0.00 0.00 34.83 33.24 2k1h s MET 15 CO 0.07 -0.07 -0.05 0.21 -2.03 0.00 0.00 175.02 173.15 2k1h s LYS 16 N -1.87 3.30 -0.27 3.16 2.20 -1.09 -3.57 119.74 121.60 2k1h s LYS 16 Ca -0.12 -0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 54.90 2k1h s LYS 16 Cb -0.07 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2k1h s LYS 16 CO -0.02 0.42 0.07 0.08 -0.36 0.00 0.00 175.35 175.53 2k1h s VAL 17 N -0.13 4.07 -0.15 4.02 1.01 -1.09 -1.05 120.40 127.07 2k1h s VAL 17 Ca 0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 2k1h s VAL 17 Cb -0.13 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2k1h s VAL 17 CO 0.03 0.21 0.48 -0.55 0.00 0.00 0.00 175.10 175.26 2k1h s SER 18 N 1.55 6.62 -0.08 3.32 0.15 -0.91 -3.34 113.70 120.99 2k1h s SER 18 Ca 0.04 0.74 -0.31 0.00 0.70 0.00 0.00 55.95 57.12 2k1h s SER 18 Cb -0.16 -2.28 0.12 0.00 -1.71 0.00 0.00 66.02 61.99 2k1h s SER 18 CO 0.02 -0.06 1.00 -1.48 1.20 0.00 0.00 173.24 173.93 2k1h s LEU 19 N 1.00 -0.29 -0.72 3.45 2.34 -1.22 -2.55 118.68 120.68 2k1h s LEU 19 Ca 0.24 0.05 -0.17 0.00 0.06 0.00 0.00 54.13 54.31 2k1h s LEU 19 Cb -0.15 1.81 0.15 0.00 -0.56 0.00 0.00 46.19 47.43 2k1h s LEU 19 CO 0.10 -0.47 0.77 -0.55 -1.06 0.00 0.00 176.35 175.15 2k1h s SER 20 N -2.21 6.44 -0.35 1.48 0.15 -1.26 -4.41 113.70 113.54 2k1h s SER 20 Ca 0.05 -1.97 0.10 0.00 0.70 0.00 0.00 55.95 54.84 2k1h s SER 20 Cb -0.01 -2.28 0.45 0.00 -1.71 0.00 0.00 66.02 62.47 2k1h s SER 20 CO -0.06 -0.91 1.10 -1.84 1.20 0.00 0.00 173.24 172.72 2k1h n GLU 21 N 5.53 2.80 -1.62 5.44 0.28 -1.26 -4.08 120.64 127.73 2k1h n GLU 21 Ca 0.03 -4.04 -0.33 0.00 -0.16 0.00 0.00 57.16 52.66 2k1h n GLU 21 Cb 0.45 -1.97 0.06 0.00 1.43 0.00 0.00 31.44 31.41 2k1h n GLU 21 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2k1h s PRO 22 N -3.50 2.58 0.00 3.44 0.04 -1.26 -4.78 135.00 131.52 2k1h s PRO 22 Ca 0.42 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2k1h s PRO 22 Cb 0.40 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 33.03 2k1h s PRO 22 CO -0.06 -1.43 0.00 2.89 0.04 0.00 0.00 177.00 178.44 2k1h n ARG 23 N -2.63 0.00 0.00 4.56 1.85 -1.26 -5.05 116.66 114.12 2k1h n ARG 23 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2k1h n ARG 23 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 2k1h n ARG 23 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2k1h n GLN 24 N 0.00 0.00 -3.02 2.89 3.00 -1.26 -4.36 117.38 114.63 2k1h n GLN 24 Ca 0.00 0.69 -0.15 0.00 -0.01 0.00 0.00 57.00 57.53 2k1h n GLN 24 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 28.88 2k1h n GLN 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2k1h n ASP 25 N -2.16 0.53 0.00 1.08 8.00 -1.26 -5.04 116.55 117.70 2k1h n ASP 25 Ca 0.00 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.50 2k1h n ASP 25 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 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 0.19 0.00 -1.89 -2.24 3.02 -1.26 -4.74 115.26 108.33 2k1h n ASN 26 Ca 0.19 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2k1h n ASN 26 Cb 0.70 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.87 2k1h n ASN 26 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k1h n SER 27 N 0.16 -6.91 -4.70 6.41 2.88 -1.26 -4.60 113.62 105.59 2k1h n SER 27 Ca 0.00 1.23 -0.36 0.00 -1.33 0.00 0.00 58.87 58.41 2k1h n SER 27 Cb 0.00 -3.78 -0.08 0.00 -0.75 0.00 0.00 64.21 59.59 2k1h n SER 27 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k1h s PHE 28 N -0.40 3.38 -0.30 0.66 -0.71 -1.26 -4.42 117.98 114.94 2k1h s PHE 28 Ca -0.00 0.34 -0.05 0.00 -1.04 0.00 0.00 56.93 56.18 2k1h s PHE 28 Cb 0.00 -2.24 0.19 0.00 -1.21 0.00 0.00 43.02 39.75 2k1h s PHE 28 CO 0.01 0.18 0.78 0.99 -1.34 0.00 0.00 175.22 175.84 2k1h s THR 29 N 0.68 -0.73 -0.11 -4.49 2.01 -1.21 -5.04 115.64 106.74 2k1h s THR 29 Ca 0.09 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2k1h s THR 29 Cb -0.12 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2k1h s THR 29 CO 0.02 0.00 1.03 0.28 -0.69 0.00 0.00 174.62 175.25 2k1h s THR 30 N 2.89 4.73 0.11 -0.82 -1.32 -1.26 -4.17 115.64 115.80 2k1h s THR 30 Ca 0.13 2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 62.60 2k1h s THR 30 Cb -0.12 -4.29 -0.04 0.00 -1.51 0.00 0.00 72.50 66.54 2k1h s THR 30 CO -0.18 -0.01 0.03 -0.72 -2.21 0.00 0.00 174.62 171.53 2k1h s TYR 31 N 2.13 0.78 -0.30 9.09 -0.85 -1.16 -4.92 117.35 122.12 2k1h s TYR 31 Ca 0.49 -1.18 -0.12 0.00 -0.52 0.00 0.00 57.07 55.73 2k1h s TYR 31 Cb -0.19 -0.46 0.17 0.00 0.38 0.00 0.00 41.96 41.86 2k1h s TYR 31 CO 0.17 -0.47 0.91 -0.08 -1.52 0.00 0.00 175.55 174.56 2k1h s THR 32 N -4.00 -0.59 0.00 -3.49 -1.32 -1.26 -3.71 115.64 101.27 2k1h s THR 32 Ca 0.19 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2k1h s THR 32 Cb 0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 2k1h s THR 32 CO -0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.40 2k1h n ALA 33 N 5.21 0.00 -2.65 11.08 0.00 -1.26 -5.08 120.51 127.81 2k1h n ALA 33 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2k1h n ALA 33 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.37 3.64 0.10 0.00 0.00 -1.26 -4.46 121.76 119.41 2k1h s ALA 34 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 2k1h s ALA 34 Cb 0.00 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.91 2k1h s ALA 34 CO 0.00 -0.90 1.00 1.14 0.00 0.00 0.00 175.76 177.00 2k1h s GLN 35 N 2.78 1.02 0.30 0.00 -2.07 -1.26 -5.07 119.66 115.36 2k1h s GLN 35 Ca 0.36 -0.54 -0.28 0.00 -1.82 0.00 0.00 55.36 53.07 2k1h s GLN 35 Cb -0.15 0.36 -0.09 0.00 -1.09 0.00 0.00 33.01 32.03 2k1h s GLN 35 CO 0.08 -0.46 0.99 -2.00 -1.32 0.00 0.00 175.29 172.58 2k1h s GLU 36 N -3.12 4.63 0.00 9.60 2.56 -1.26 -3.51 118.70 127.60 2k1h s GLU 36 Ca 0.12 1.52 0.00 0.00 0.00 0.00 0.00 54.97 56.61 2k1h s GLU 36 Cb -0.00 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 33.11 2k1h s GLU 36 CO -0.00 0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.40 2k1h n GLY 37 N 0.99 3.06 3.86 -1.50 0.00 -1.26 -5.04 105.19 105.30 2k1h n GLY 37 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.25 3.86 -0.00 1.61 -0.21 -1.23 -5.01 119.66 118.44 2k1h s GLN 38 Ca 0.00 0.34 -0.39 0.00 0.02 0.00 0.00 55.36 55.33 2k1h s GLN 38 Cb 0.00 -2.77 -0.18 0.00 1.00 0.00 0.00 33.01 31.06 2k1h s GLN 38 CO 0.00 0.39 1.28 -2.30 -2.12 0.00 0.00 175.29 172.54 2k1h n PRO 39 N 0.26 0.64 0.30 2.91 -0.02 -1.26 -4.82 135.00 133.02 2k1h n PRO 39 Ca -0.02 0.23 0.17 0.00 -2.02 0.00 0.00 63.50 61.86 2k1h n PRO 39 Cb 0.52 -1.82 0.95 0.00 -0.02 0.00 0.00 33.50 33.14 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 4.16 0.00 -0.13 -0.52 4.39 -1.94 -2.51 114.58 118.03 2k1h h GLU 40 Ca -0.49 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 2k1h h GLU 40 Cb 1.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2k1h h GLU 40 CO 0.75 0.03 0.07 0.74 -1.16 0.00 0.00 179.01 179.44 2k1h h PHE 41 N 0.00 0.18 -0.42 4.33 0.04 -1.96 -1.69 116.94 117.42 2k1h h PHE 41 Ca -0.00 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 2k1h h PHE 41 Cb 0.11 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2k1h h PHE 41 CO 0.00 0.20 -0.29 0.82 -0.60 0.00 0.00 178.31 178.44 2k1h h ILE 42 N 0.11 1.27 -0.75 -0.55 5.03 -1.83 -3.06 117.51 117.73 2k1h h ILE 42 Ca 0.05 -1.46 0.04 0.00 -0.12 0.00 0.00 64.86 63.37 2k1h h ILE 42 Cb 0.08 1.28 -0.04 0.00 -3.03 0.00 0.00 36.82 35.10 2k1h h ILE 42 CO -0.01 0.49 0.50 0.78 -0.68 0.00 0.00 178.15 179.23 2k1h h ASN 43 N 0.77 0.77 -0.78 1.72 2.35 -1.27 -1.50 115.58 117.64 2k1h h ASN 43 Ca 0.08 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2k1h h ASN 43 Cb 0.87 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2k1h h ASN 43 CO 0.08 0.52 0.30 0.03 -1.65 0.00 0.00 177.43 176.71 2k1h h ARG 44 N 0.89 1.18 -0.78 0.81 2.47 -1.21 -2.80 114.38 114.94 2k1h h ARG 44 Ca 0.31 -0.22 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2k1h h ARG 44 Cb 0.10 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 2k1h h ARG 44 CO -0.09 0.97 0.41 -0.07 0.56 0.00 0.00 179.97 181.74 2k1h h LEU 45 N 1.14 0.98 -0.31 3.04 3.38 -1.26 -1.36 115.31 120.92 2k1h h LEU 45 Ca 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k1h h LEU 45 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k1h h LEU 45 CO -0.02 0.81 0.00 0.33 0.09 0.00 0.00 178.44 179.65 2k1h n PHE 46 N -4.42 0.00 0.08 1.13 7.35 -0.99 -2.42 117.46 118.18 2k1h n PHE 46 Ca 0.07 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.83 2k1h n PHE 46 Cb 0.11 -0.02 -0.03 0.00 0.35 0.00 0.00 39.48 39.89 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 0.12 0.00 -6.39 -4.13 4.81 -1.26 -3.46 114.58 104.27 2k1h h GLU 47 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 2k1h h GLU 47 Cb 0.09 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.19 2k1h h GLU 47 CO 0.00 0.12 -0.87 0.96 -0.73 0.00 0.00 179.01 178.49 2k1h s ILE 48 N -3.18 1.89 0.47 2.32 -5.25 -1.02 -5.12 121.20 111.31 2k1h s ILE 48 Ca -0.01 -1.10 -0.23 0.00 -0.99 0.00 0.00 60.65 58.32 2k1h s ILE 48 Cb 0.09 -1.59 -0.07 0.00 2.95 0.00 0.00 42.46 43.84 2k1h s ILE 48 CO 0.80 0.47 1.26 -1.83 -1.79 0.00 0.00 174.94 173.84 2k1h s GLU 49 N -0.74 3.63 0.00 0.37 -1.05 -1.26 -3.93 118.70 115.72 2k1h s GLU 49 Ca 0.09 2.00 0.00 0.00 -0.15 0.00 0.00 54.97 56.92 2k1h s GLU 49 Cb -0.09 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.14 2k1h s GLU 49 CO -0.00 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 175.90 2k1h n GLY 50 N 0.59 1.44 3.62 -3.83 0.00 -1.26 -4.66 105.19 101.09 2k1h n GLY 50 Ca 0.07 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.55 3.26 -0.16 1.61 1.01 -1.25 0.39 120.40 124.70 2k1h s VAL 51 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2k1h s VAL 51 Cb 0.00 -3.28 -0.23 0.00 0.00 0.00 0.00 36.38 32.87 2k1h s VAL 51 CO 0.00 -0.14 0.40 0.50 0.00 0.00 0.00 175.10 175.86 2k1h h LYS 52 N 12.62 0.09 -2.56 2.72 3.64 -1.74 -3.48 116.57 127.87 2k1h h LYS 52 Ca -0.40 -0.15 0.12 0.00 -1.27 0.00 0.00 60.65 58.95 2k1h h LYS 52 Cb 1.21 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 2k1h h LYS 52 CO 0.98 1.07 0.40 -1.54 -2.27 0.00 0.00 179.45 178.09 2k1h s SER 53 N -6.83 -0.27 0.06 4.20 1.04 -1.19 -5.03 113.70 105.68 2k1h s SER 53 Ca -0.24 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 55.89 2k1h s SER 53 Cb 0.04 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2k1h s SER 53 CO 0.67 -0.96 -0.11 -0.63 0.98 0.00 0.00 173.24 173.19 2k1h s ILE 54 N -3.46 0.84 -0.08 -1.02 1.01 -1.24 -2.88 121.20 114.36 2k1h s ILE 54 Ca 0.09 -1.28 0.03 0.00 0.00 0.00 0.00 60.65 59.50 2k1h s ILE 54 Cb -0.02 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.51 2k1h s ILE 54 CO -0.00 -0.36 -0.19 -0.36 0.00 0.00 0.00 174.94 174.03 2k1h s PHE 55 N -1.56 2.09 -0.22 3.97 0.08 -1.06 -2.98 117.98 118.30 2k1h s PHE 55 Ca -0.04 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 56.21 2k1h s PHE 55 Cb -0.08 -1.43 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 2k1h s PHE 55 CO 0.01 -0.35 -0.10 -0.47 -0.10 0.00 0.00 175.22 174.21 2k1h s TYR 56 N 0.43 2.65 -0.12 0.36 5.04 -1.26 -3.17 117.35 121.28 2k1h s TYR 56 Ca -0.16 -1.82 -0.30 0.00 -2.44 0.00 0.00 57.07 52.35 2k1h s TYR 56 Cb -0.17 -1.72 0.11 0.00 0.35 0.00 0.00 41.96 40.53 2k1h s TYR 56 CO 0.07 -0.79 0.88 0.54 -1.34 0.00 0.00 175.55 174.91 2k1h s VAL 57 N 1.31 0.00 0.00 3.14 0.11 -1.24 -3.35 120.40 120.37 2k1h s VAL 57 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2k1h s VAL 57 Cb -0.18 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2k1h s VAL 57 CO -0.07 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.59 2k1h n LEU 58 N 0.82 0.00 -1.67 2.54 0.00 -1.26 -2.99 117.00 114.44 2k1h n LEU 58 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 56.01 55.97 2k1h n LEU 58 Cb 0.58 0.00 0.37 0.00 0.00 0.00 0.00 43.42 44.37 2k1h n LEU 58 CO 0.19 0.00 0.83 -0.90 0.00 0.00 0.00 177.39 177.51 2k1h n ASP 59 N -2.59 4.98 -4.01 1.96 5.68 -1.26 -4.64 116.55 116.67 2k1h n ASP 59 Ca 0.00 -2.52 -0.08 0.00 -0.50 0.00 0.00 54.79 51.68 2k1h n ASP 59 Cb 0.00 -0.60 -0.10 0.00 -1.14 0.00 0.00 41.12 39.28 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 -1.99 0.36 0.09 2.11 -0.12 -1.16 -3.43 117.98 113.84 2k1h s PHE 60 Ca 0.53 -0.78 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 2k1h s PHE 60 Cb 0.35 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 2k1h s PHE 60 CO 0.24 -0.34 -0.11 0.96 -0.05 0.00 0.00 175.22 175.92 2k1h s ILE 61 N -3.04 0.97 -0.11 -4.49 -4.36 -1.21 -3.70 121.20 105.26 2k1h s ILE 61 Ca -0.01 -1.56 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 2k1h s ILE 61 Cb 0.02 -1.27 0.02 0.00 1.25 0.00 0.00 42.46 42.47 2k1h s ILE 61 CO -0.07 -0.48 -0.13 -0.44 0.24 0.00 0.00 174.94 174.06 2k1h s SER 62 N -2.28 2.26 -0.27 4.36 0.01 -1.19 -2.68 113.70 113.92 2k1h s SER 62 Ca 0.03 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 2k1h s SER 62 Cb -0.05 -0.98 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 2k1h s SER 62 CO 0.01 -0.02 0.08 -0.63 0.41 0.00 0.00 173.24 173.08 2k1h s ILE 63 N 1.16 4.21 -0.35 1.44 1.09 -1.23 -2.56 121.20 124.96 2k1h s ILE 63 Ca -0.04 -0.34 -0.10 0.00 -1.10 0.00 0.00 60.65 59.07 2k1h s ILE 63 Cb -0.14 -3.04 0.01 0.00 -1.06 0.00 0.00 42.46 38.24 2k1h s ILE 63 CO -0.03 0.25 0.18 -0.62 -0.10 0.00 0.00 174.94 174.61 2k1h s ASP 64 N 1.58 5.62 0.19 3.58 -1.08 -1.14 -3.96 116.67 121.47 2k1h s ASP 64 Ca 0.05 -0.82 0.09 0.00 -0.52 0.00 0.00 52.55 51.35 2k1h s ASP 64 Cb -0.16 -2.00 -0.04 0.00 -1.46 0.00 0.00 42.92 39.26 2k1h s ASP 64 CO 0.03 -0.31 -0.17 -1.59 0.52 0.00 0.00 175.17 173.66 2k1h s LYS 65 N 1.57 1.34 1.19 4.34 0.00 -1.23 -1.93 119.74 125.01 2k1h s LYS 65 Ca 0.03 -1.52 -0.14 0.00 0.00 0.00 0.00 55.97 54.33 2k1h s LYS 65 Cb -0.18 -1.28 0.26 0.00 0.00 0.00 0.00 37.83 36.63 2k1h s LYS 65 CO 0.06 0.24 0.79 -1.91 0.00 0.00 0.00 175.35 174.53 2k1h n GLU 66 N -0.09 -2.47 0.20 1.78 4.07 0.16 -4.77 120.64 119.51 2k1h n GLU 66 Ca -0.10 -0.70 0.14 0.00 -0.06 0.00 0.00 57.16 56.45 2k1h n GLU 66 Cb 0.59 -2.05 0.58 0.00 -0.06 0.00 0.00 31.44 30.49 2k1h n GLU 66 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2k1h h ASP 67 N -2.64 0.00 -0.10 4.31 3.32 -1.95 -2.39 116.42 116.98 2k1h h ASP 67 Ca -0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2k1h h ASP 67 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2k1h h ASP 67 CO 0.47 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.53 2k1h n ASN 68 N -2.61 0.78 -4.91 6.45 0.23 -1.26 -4.84 115.26 109.11 2k1h n ASN 68 Ca 0.01 -1.67 -0.30 0.00 -0.53 0.00 0.00 54.58 52.09 2k1h n ASN 68 Cb 0.26 -0.06 -0.04 0.00 -2.08 0.00 0.00 39.78 37.86 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k1h s ALA 69 N -1.87 3.82 -0.06 -2.53 0.00 -0.90 -4.98 121.76 115.24 2k1h s ALA 69 Ca 0.25 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2k1h s ALA 69 Cb 0.12 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 21.20 2k1h s ALA 69 CO 0.19 0.62 0.00 1.21 0.00 0.00 0.00 175.76 177.79 2k1h s ASN 70 N -2.63 1.24 0.59 0.00 3.04 -1.26 -4.93 114.94 110.98 2k1h s ASN 70 Ca 0.40 -0.06 0.32 0.00 0.04 0.00 0.00 52.86 53.56 2k1h s ASN 70 Cb -0.12 -0.37 1.86 0.00 -1.54 0.00 0.00 41.25 41.08 2k1h s ASN 70 CO 0.26 -0.16 2.24 -0.50 -3.04 0.00 0.00 177.10 175.89 2k1h h TRP 71 N 7.98 0.00 -0.58 0.43 6.55 -1.98 -1.91 115.95 126.45 2k1h h TRP 71 Ca -0.25 0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.68 2k1h h TRP 71 Cb 1.13 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.40 2k1h h TRP 71 CO 0.49 0.03 0.39 -0.91 -1.05 0.00 0.00 178.44 177.38 2k1h h ASN 72 N 0.00 0.33 0.26 -3.49 -0.26 -2.01 0.15 115.58 110.56 2k1h h ASN 72 Ca -0.00 0.01 -0.29 0.00 -0.56 0.00 0.00 56.30 55.46 2k1h h ASN 72 Cb 0.08 -0.06 0.02 0.00 -1.06 0.00 0.00 38.32 37.30 2k1h h ASN 72 CO 0.00 0.20 -1.21 -0.33 -1.06 0.00 0.00 177.43 175.04 2k1h h GLU 73 N 0.37 0.52 -0.44 0.81 5.08 -1.78 -3.31 114.58 115.84 2k1h h GLU 73 Ca 0.27 -0.71 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 2k1h h GLU 73 Cb 0.56 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2k1h h GLU 73 CO -0.07 1.31 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.98 2k1h h LEU 74 N 0.23 0.88 -0.44 1.33 4.07 -1.24 -3.27 115.31 116.86 2k1h h LEU 74 Ca -0.16 -0.31 0.04 0.00 0.08 0.00 0.00 57.88 57.52 2k1h h LEU 74 Cb 1.88 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 43.32 2k1h h LEU 74 CO 0.22 1.05 -0.31 -0.07 -1.08 0.00 0.00 178.44 178.25 2k1h h LEU 75 N 0.75 -1.12 -2.28 1.67 4.07 -0.86 0.48 115.31 118.03 2k1h h LEU 75 Ca 0.11 0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 2k1h h LEU 75 Cb 0.73 0.49 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 2k1h h LEU 75 CO 0.06 -0.15 -0.04 1.55 -1.08 0.00 0.00 178.44 178.78 2k1h h PRO 76 N -0.07 0.00 0.07 1.13 0.13 -1.74 0.45 132.00 131.98 2k1h h PRO 76 Ca 0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2k1h h PRO 76 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 2k1h h PRO 76 CO -0.45 0.04 -0.03 1.96 -0.23 0.00 0.00 178.00 179.29 2k1h h GLN 77 N 0.00 -0.09 -0.31 0.86 4.20 -0.72 -3.15 115.11 115.90 2k1h h GLN 77 Ca -0.00 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2k1h h GLN 77 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2k1h h GLN 77 CO 0.01 0.43 -0.19 -0.84 -0.67 0.00 0.00 178.83 177.56 2k1h h ILE 78 N -0.94 1.29 -0.62 2.54 3.07 -0.10 -2.89 117.51 119.87 2k1h h ILE 78 Ca -0.01 -1.32 0.14 0.00 1.55 0.00 0.00 64.86 65.22 2k1h h ILE 78 Cb 0.55 1.47 -0.03 0.00 -0.27 0.00 0.00 36.82 38.54 2k1h h ILE 78 CO 0.01 0.43 0.42 -0.33 -1.05 0.00 0.00 178.15 177.64 2k1h h GLU 79 N 0.45 0.22 -0.67 0.16 5.08 -1.06 0.38 114.58 119.14 2k1h h GLU 79 Ca 0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2k1h h GLU 79 Cb 0.74 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2k1h h GLU 79 CO 0.05 0.15 0.22 -0.97 -1.00 0.00 0.00 179.01 177.46 2k1h h ASN 80 N 0.23 0.97 -0.00 1.42 -0.73 -1.46 0.67 115.58 116.68 2k1h h ASN 80 Ca 0.30 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 2k1h h ASN 80 Cb 0.84 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.18 2k1h h ASN 80 CO -0.06 0.92 0.00 0.74 -0.37 0.00 0.00 177.43 178.66 2k1h h THR 81 N 0.98 1.17 -0.20 -3.57 2.02 -0.95 -1.07 112.91 111.28 2k1h h THR 81 Ca 0.22 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2k1h h THR 81 Cb 0.29 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2k1h h THR 81 CO -0.01 0.13 0.08 0.15 0.37 0.00 0.00 175.52 176.24 2k1h h PHE 82 N -0.21 0.31 -0.87 3.16 3.57 -1.25 -2.40 116.94 119.26 2k1h h PHE 82 Ca 0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2k1h h PHE 82 Cb 0.21 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 2k1h h PHE 82 CO -0.00 0.36 0.56 0.00 -2.23 0.00 0.00 178.31 176.99 2k1h h ALA 83 N 0.92 1.70 0.41 2.41 0.00 0.42 0.22 119.26 125.34 2k1h h ALA 83 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2k1h h ALA 83 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k1h h ALA 83 CO -0.01 0.11 -0.20 -0.22 0.00 0.00 0.00 179.25 178.94 2k1h h LYS 84 N 0.81 -0.53 -0.66 0.00 3.64 -0.92 -3.17 116.57 115.75 2k1h h LYS 84 Ca 0.41 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.86 2k1h h LYS 84 Cb 0.47 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2k1h h LYS 84 CO -0.17 -0.23 0.40 0.77 -2.27 0.00 0.00 179.45 177.95 2k1h h SER 85 N -0.81 0.64 0.00 4.20 0.02 -0.93 -3.52 113.55 113.15 2k1h h SER 85 Ca -0.06 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k1h h SER 85 Cb 0.54 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2k1h h SER 85 CO 0.09 0.44 0.00 -3.20 -1.14 0.00 0.00 176.83 173.02