#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 0.11 0.49 2.12 -1.05 -1.26 -5.07 118.70 114.05 2k1h s GLU 2 Ca 0.00 0.16 -0.21 0.00 -0.15 0.00 0.00 54.97 54.76 2k1h s GLU 2 Cb 0.00 0.04 -0.09 0.00 -0.44 0.00 0.00 34.13 33.64 2k1h s GLU 2 CO 0.00 -0.03 0.84 0.44 0.95 0.00 0.00 175.26 177.46 2k1h n ILE 3 N 3.12 2.61 0.00 1.83 -5.35 -1.26 -4.32 119.36 115.98 2k1h n ILE 3 Ca -0.13 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2k1h n ILE 3 Cb 0.59 -0.98 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 2k1h n ILE 3 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2k1h n ILE 4 N -1.07 0.00 -3.63 7.28 2.08 -1.23 -4.99 119.36 117.80 2k1h n ILE 4 Ca 0.11 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.30 2k1h n ILE 4 Cb 0.43 -0.71 -0.07 0.00 -0.75 0.00 0.00 39.64 38.54 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 -1.89 -1.85 -0.22 -1.39 0.00 -1.08 -5.07 121.76 110.27 2k1h s ALA 5 Ca 0.00 1.93 -0.07 0.00 0.00 0.00 0.00 51.96 53.82 2k1h s ALA 5 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2k1h s ALA 5 CO 0.00 -0.30 0.05 0.42 0.00 0.00 0.00 175.76 175.93 2k1h s ILE 6 N 0.21 4.33 -0.44 0.00 1.09 -1.26 -2.06 121.20 123.07 2k1h s ILE 6 Ca 0.01 -0.18 -0.10 0.00 -1.10 0.00 0.00 60.65 59.28 2k1h s ILE 6 Cb -0.05 -2.99 0.09 0.00 -1.06 0.00 0.00 42.46 38.46 2k1h s ILE 6 CO -0.01 0.39 0.30 -0.44 -0.10 0.00 0.00 174.94 175.08 2k1h s SER 7 N 1.17 5.71 0.67 3.58 0.01 -0.75 -5.01 113.70 119.08 2k1h s SER 7 Ca 0.04 -1.63 -0.14 0.00 1.31 0.00 0.00 55.95 55.53 2k1h s SER 7 Cb -0.14 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2k1h s SER 7 CO 0.03 -0.60 1.10 -1.61 0.41 0.00 0.00 173.24 172.57 2k1h s GLU 8 N 1.42 2.78 0.13 12.44 0.41 -1.26 -3.05 118.70 131.57 2k1h s GLU 8 Ca 0.04 1.34 0.04 0.00 -0.41 0.00 0.00 54.97 55.98 2k1h s GLU 8 Cb -0.24 -1.95 -0.04 0.00 -1.78 0.00 0.00 34.13 30.11 2k1h s GLU 8 CO 0.02 -1.26 -0.10 -0.08 -0.49 0.00 0.00 175.26 173.35 2k1h s THR 9 N -2.42 1.06 0.00 3.63 -1.32 -1.26 -4.93 115.64 110.39 2k1h s THR 9 Ca 0.66 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 2k1h s THR 9 Cb -0.20 -1.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.12 2k1h s THR 9 CO 0.43 -0.69 0.43 -0.81 -2.21 0.00 0.00 174.62 171.77 2k1h n PRO 10 N 0.08 0.34 -0.51 7.08 -0.04 -1.26 -4.75 135.00 135.94 2k1h n PRO 10 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2k1h n PRO 10 Cb 0.60 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.09 0.00 -0.06 3.54 5.03 -1.26 -5.07 115.26 118.53 2k1h n ASN 11 Ca 0.00 -0.96 -0.09 0.00 0.87 0.00 0.00 54.58 54.40 2k1h n ASN 11 Cb 0.17 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.87 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 -1.41 0.00 -1.65 3.10 8.25 -1.26 -4.83 115.22 117.42 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 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.61 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 -2.86 0.00 -4.27 0.41 0.23 -1.26 -4.96 115.26 102.55 2k1h n ASN 13 Ca -0.23 -1.39 -0.33 0.00 -0.53 0.00 0.00 54.58 52.10 2k1h n ASN 13 Cb 0.75 -0.08 -0.15 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.00 2.67 0.03 5.53 2.01 -1.26 -3.30 115.64 121.32 2k1h s THR 14 Ca 0.00 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2k1h s THR 14 Cb 0.00 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 2k1h s THR 14 CO 0.00 0.51 -0.06 0.00 -0.69 0.00 0.00 174.62 174.39 2k1h s MET 15 N 0.81 0.43 -0.13 4.92 0.23 -1.25 -4.51 119.30 119.80 2k1h s MET 15 Ca -0.05 -0.62 -0.07 0.00 -1.03 0.00 0.00 55.69 53.92 2k1h s MET 15 Cb -0.15 -0.19 -0.04 0.00 -1.53 0.00 0.00 34.83 32.92 2k1h s MET 15 CO -0.00 0.03 0.13 0.21 -2.03 0.00 0.00 175.02 173.35 2k1h s LYS 16 N -1.31 3.55 -0.28 3.16 2.47 -1.17 -3.54 119.74 122.63 2k1h s LYS 16 Ca -0.10 -0.17 0.03 0.00 -1.56 0.00 0.00 55.97 54.17 2k1h s LYS 16 Cb -0.09 -3.20 0.07 0.00 -1.46 0.00 0.00 37.83 33.15 2k1h s LYS 16 CO -0.00 0.68 -0.08 0.08 0.16 0.00 0.00 175.35 176.19 2k1h s VAL 17 N -0.74 2.24 -0.10 4.02 1.01 -1.20 -1.80 120.40 123.83 2k1h s VAL 17 Ca 0.13 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 2k1h s VAL 17 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2k1h s VAL 17 CO 0.03 -0.13 0.45 -0.44 0.00 0.00 0.00 175.10 175.01 2k1h s SER 18 N 1.08 6.68 0.03 3.32 0.01 -0.87 -2.93 113.70 121.02 2k1h s SER 18 Ca -0.06 0.81 -0.28 0.00 1.31 0.00 0.00 55.95 57.73 2k1h s SER 18 Cb -0.20 -2.27 0.09 0.00 0.21 0.00 0.00 66.02 63.85 2k1h s SER 18 CO -0.05 0.06 1.01 -1.48 0.41 0.00 0.00 173.24 173.18 2k1h s LEU 19 N 0.36 -0.22 -0.25 2.44 2.34 -0.84 -2.62 118.68 119.88 2k1h s LEU 19 Ca 0.25 -0.17 -0.25 0.00 0.06 0.00 0.00 54.13 54.02 2k1h s LEU 19 Cb -0.15 1.91 -0.00 0.00 -0.56 0.00 0.00 46.19 47.38 2k1h s LEU 19 CO 0.10 -0.63 0.86 -0.55 -1.06 0.00 0.00 176.35 175.07 2k1h s SER 20 N -2.69 6.85 -0.52 1.48 0.15 -1.26 -4.27 113.70 113.43 2k1h s SER 20 Ca 0.09 1.03 0.06 0.00 0.70 0.00 0.00 55.95 57.83 2k1h s SER 20 Cb -0.00 -2.45 0.21 0.00 -1.71 0.00 0.00 66.02 62.07 2k1h s SER 20 CO -0.04 -0.56 0.51 -0.62 1.20 0.00 0.00 173.24 173.73 2k1h n GLU 21 N 6.11 1.21 -1.79 5.44 1.02 -1.26 0.14 120.64 131.51 2k1h n GLU 21 Ca 0.06 -3.81 -0.40 0.00 -0.02 0.00 0.00 57.16 53.00 2k1h n GLU 21 Cb 0.47 -1.81 0.02 0.00 -0.02 0.00 0.00 31.44 30.10 2k1h n GLU 21 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2k1h s PRO 22 N -1.18 3.58 -0.06 3.49 0.02 -1.26 -4.76 135.00 134.84 2k1h s PRO 22 Ca 0.33 2.39 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 2k1h s PRO 22 Cb 0.08 -2.58 0.11 0.00 0.02 0.00 0.00 34.50 32.12 2k1h s PRO 22 CO -0.13 -0.89 0.90 0.50 -0.33 0.00 0.00 177.00 177.05 2k1h s ARG 23 N -2.53 0.77 0.15 5.54 3.52 -1.26 -4.95 118.95 120.19 2k1h s ARG 23 Ca 0.63 -0.10 -0.31 0.00 -0.13 0.00 0.00 55.73 55.81 2k1h s ARG 23 Cb -0.43 0.36 -0.08 0.00 -1.56 0.00 0.00 34.95 33.24 2k1h s ARG 23 CO 0.55 -0.30 1.55 1.96 -0.81 0.00 0.00 175.30 178.25 2k1h h GLN 24 N 2.28 -0.19 -1.67 5.12 4.20 -2.06 -3.32 115.11 119.47 2k1h h GLN 24 Ca -0.21 0.01 -0.44 0.00 0.06 0.00 0.00 58.65 58.07 2k1h h GLN 24 Cb 1.21 0.04 -0.36 0.00 0.30 0.00 0.00 27.48 28.67 2k1h h GLN 24 CO 0.32 -0.13 -1.07 -0.40 -0.67 0.00 0.00 178.83 176.88 2k1h n ASP 25 N -5.32 0.28 -0.64 1.46 5.75 -1.26 -5.07 116.55 111.75 2k1h n ASP 25 Ca -0.00 -3.11 -0.01 0.00 -0.01 0.00 0.00 54.79 51.66 2k1h n ASP 25 Cb 0.31 -0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.19 2k1h n ASP 25 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2k1h n ASN 26 N 0.35 -0.28 -1.00 -1.12 3.02 -1.25 -4.81 115.26 110.16 2k1h n ASN 26 Ca 0.22 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2k1h n ASN 26 Cb 0.66 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 2k1h n ASN 26 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2k1h n SER 27 N 0.74 0.00 -4.29 6.41 7.64 -1.26 -3.51 113.62 119.36 2k1h n SER 27 Ca 0.03 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.64 2k1h n SER 27 Cb 0.06 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 2k1h n SER 27 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k1h s PHE 28 N 1.86 1.98 -0.30 1.43 -0.12 -1.26 -3.66 117.98 117.93 2k1h s PHE 28 Ca 0.00 -0.39 -0.06 0.00 -0.05 0.00 0.00 56.93 56.43 2k1h s PHE 28 Cb 0.00 -1.18 0.19 0.00 -0.63 0.00 0.00 43.02 41.40 2k1h s PHE 28 CO 0.00 0.12 0.83 0.99 -0.05 0.00 0.00 175.22 177.10 2k1h s THR 29 N -0.83 -0.65 -0.34 -4.49 2.01 -1.25 -5.02 115.64 105.08 2k1h s THR 29 Ca 0.09 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 2k1h s THR 29 Cb -0.09 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.53 2k1h s THR 29 CO 0.02 0.00 0.90 -0.89 -0.69 0.00 0.00 174.62 173.96 2k1h s THR 30 N 2.90 4.65 0.16 -0.82 2.01 -1.26 -4.02 115.64 119.26 2k1h s THR 30 Ca 0.12 1.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.37 2k1h s THR 30 Cb -0.11 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2k1h s THR 30 CO -0.18 -0.43 0.13 -0.72 -0.69 0.00 0.00 174.62 172.73 2k1h s TYR 31 N 3.32 0.89 -0.30 4.92 -0.85 -1.03 -4.96 117.35 119.34 2k1h s TYR 31 Ca 0.37 -1.21 -0.11 0.00 -0.52 0.00 0.00 57.07 55.60 2k1h s TYR 31 Cb -0.13 -0.43 0.18 0.00 0.38 0.00 0.00 41.96 41.96 2k1h s TYR 31 CO 0.16 -0.61 0.96 0.99 -1.52 0.00 0.00 175.55 175.53 2k1h s THR 32 N -4.08 -0.49 0.00 -3.49 2.01 -1.26 -2.66 115.64 105.67 2k1h s THR 32 Ca 0.28 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2k1h s THR 32 Cb 0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.57 2k1h s THR 32 CO 0.05 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.98 2k1h n ALA 33 N 5.33 0.00 -2.25 7.40 0.00 -1.26 -5.08 120.51 124.65 2k1h n ALA 33 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 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 -0.72 3.15 -0.05 0.00 0.00 -1.26 -4.60 121.76 118.29 2k1h s ALA 34 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 2k1h s ALA 34 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 23.12 19.26 2k1h s ALA 34 CO 0.00 -2.18 0.36 1.14 0.00 0.00 0.00 175.76 175.08 2k1h s GLN 35 N 4.81 0.65 0.41 0.00 -2.07 -1.26 -5.04 119.66 117.15 2k1h s GLN 35 Ca 0.65 0.03 -0.25 0.00 -1.82 0.00 0.00 55.36 53.97 2k1h s GLN 35 Cb -0.18 0.30 -0.08 0.00 -1.09 0.00 0.00 33.01 31.95 2k1h s GLN 35 CO 0.30 -0.16 1.19 -1.21 -1.32 0.00 0.00 175.29 174.09 2k1h s GLU 36 N -0.94 4.01 0.00 9.60 2.02 -1.26 -3.42 118.70 128.72 2k1h s GLU 36 Ca -0.10 1.90 0.00 0.00 0.02 0.00 0.00 54.97 56.79 2k1h s GLU 36 Cb -0.04 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.52 2k1h s GLU 36 CO 0.04 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.36 2k1h n GLY 37 N 0.63 2.44 3.84 -1.39 0.00 -1.26 -5.07 105.19 104.38 2k1h n GLY 37 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.28 3.20 -0.26 1.61 -1.52 -1.22 -5.04 119.66 116.16 2k1h s GLN 38 Ca 0.00 -0.46 -0.43 0.00 -1.95 0.00 0.00 55.36 52.53 2k1h s GLN 38 Cb 0.00 -2.94 -0.19 0.00 -0.22 0.00 0.00 33.01 29.66 2k1h s GLN 38 CO 0.00 0.64 1.44 -2.30 -0.25 0.00 0.00 175.29 174.82 2k1h n PRO 39 N 0.91 0.28 0.04 2.91 -0.02 -1.26 -4.73 135.00 133.14 2k1h n PRO 39 Ca -0.11 0.10 0.19 0.00 -2.02 0.00 0.00 63.50 61.67 2k1h n PRO 39 Cb 0.52 -1.64 0.49 0.00 -0.02 0.00 0.00 33.50 32.85 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 4.70 0.00 -0.76 -0.52 4.39 -1.94 0.40 114.58 120.85 2k1h h GLU 40 Ca -0.47 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.30 2k1h h GLU 40 Cb 1.38 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.97 2k1h h GLU 40 CO 0.86 0.00 0.44 0.74 -1.16 0.00 0.00 179.01 179.89 2k1h h PHE 41 N 0.00 0.80 -0.25 4.33 -1.00 -1.95 -0.93 116.94 117.94 2k1h h PHE 41 Ca 0.26 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 2k1h h PHE 41 Cb 1.96 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 41.26 2k1h h PHE 41 CO 0.00 0.37 0.12 0.82 -1.61 0.00 0.00 178.31 178.02 2k1h h ILE 42 N 0.78 1.14 -0.85 -0.55 1.08 -0.51 -2.82 117.51 115.78 2k1h h ILE 42 Ca 0.34 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 2k1h h ILE 42 Cb 0.23 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 2k1h h ILE 42 CO -0.20 0.14 0.43 0.78 -0.69 0.00 0.00 178.15 178.62 2k1h h ASN 43 N 0.28 1.09 -0.21 1.72 2.35 -1.47 -2.64 115.58 116.70 2k1h h ASN 43 Ca 0.09 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2k1h h ASN 43 Cb 0.11 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 2k1h h ASN 43 CO -0.01 0.90 0.03 0.03 -1.65 0.00 0.00 177.43 176.73 2k1h h ARG 44 N 1.20 0.11 -0.96 0.81 2.47 -1.04 -1.54 114.38 115.43 2k1h h ARG 44 Ca 0.30 -0.01 0.10 0.00 -1.26 0.00 0.00 59.98 59.11 2k1h h ARG 44 Cb 0.08 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.30 2k1h h ARG 44 CO -0.04 0.07 0.61 -0.07 0.56 0.00 0.00 179.97 181.10 2k1h h LEU 45 N 0.11 0.89 -0.62 3.04 3.38 -1.24 0.39 115.31 121.26 2k1h h LEU 45 Ca 0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k1h h LEU 45 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k1h h LEU 45 CO -0.13 0.51 0.00 0.33 0.09 0.00 0.00 178.44 179.24 2k1h n PHE 46 N -4.56 0.00 -0.07 1.13 7.35 -0.60 -3.11 117.46 117.61 2k1h n PHE 46 Ca 0.17 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.70 2k1h n PHE 46 Cb 0.31 -0.05 -0.14 0.00 0.35 0.00 0.00 39.48 39.95 2k1h n PHE 46 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2k1h n GLU 47 N -0.15 0.69 -4.96 -4.13 4.07 0.14 -4.82 120.64 111.47 2k1h n GLU 47 Ca 0.00 0.17 -0.32 0.00 -0.06 0.00 0.00 57.16 56.94 2k1h n GLU 47 Cb 0.13 -1.62 -0.14 0.00 -0.06 0.00 0.00 31.44 29.76 2k1h n GLU 47 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2k1h s ILE 48 N -2.54 2.88 0.30 6.31 -5.25 -1.18 -5.10 121.20 116.63 2k1h s ILE 48 Ca -0.21 -0.79 -0.30 0.00 -0.99 0.00 0.00 60.65 58.37 2k1h s ILE 48 Cb 0.07 -2.11 -0.11 0.00 2.95 0.00 0.00 42.46 43.26 2k1h s ILE 48 CO 0.74 0.59 1.52 -1.83 -1.79 0.00 0.00 174.94 174.17 2k1h s GLU 49 N -0.68 4.17 0.00 0.37 -1.05 -1.26 -4.05 118.70 116.19 2k1h s GLU 49 Ca 0.11 2.49 0.00 0.00 -0.15 0.00 0.00 54.97 57.42 2k1h s GLU 49 Cb -0.11 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 2k1h s GLU 49 CO 0.00 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.08 2k1h n GLY 50 N 1.84 3.87 3.62 -3.83 0.00 -1.26 -4.56 105.19 104.87 2k1h n GLY 50 Ca 0.06 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 3.41 -0.16 1.61 0.11 -1.26 0.37 120.40 124.48 2k1h s VAL 51 Ca 0.00 0.45 -0.25 0.00 -2.93 0.00 0.00 61.98 59.24 2k1h s VAL 51 Cb 0.00 -3.46 -0.24 0.00 -1.53 0.00 0.00 36.38 31.15 2k1h s VAL 51 CO 0.00 -0.23 0.58 0.50 -3.33 0.00 0.00 175.10 172.62 2k1h h LYS 52 N 12.21 0.03 -2.48 1.54 3.64 -1.77 -3.48 116.57 126.26 2k1h h LYS 52 Ca -0.37 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 2k1h h LYS 52 Cb 1.19 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 32.86 2k1h h LYS 52 CO 0.99 1.02 0.14 -1.12 -2.27 0.00 0.00 179.45 178.22 2k1h s SER 53 N -6.52 -0.57 -0.05 4.20 0.01 -1.22 -4.98 113.70 104.58 2k1h s SER 53 Ca -0.22 0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.48 2k1h s SER 53 Cb 0.01 0.54 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 2k1h s SER 53 CO 0.67 -0.72 -0.24 -0.63 0.41 0.00 0.00 173.24 172.72 2k1h s ILE 54 N -2.16 1.94 -0.01 1.44 -1.09 -1.09 -3.37 121.20 116.86 2k1h s ILE 54 Ca -0.07 -1.01 0.04 0.00 -2.23 0.00 0.00 60.65 57.38 2k1h s ILE 54 Cb -0.01 -1.63 -0.03 0.00 -1.58 0.00 0.00 42.46 39.21 2k1h s ILE 54 CO 0.01 0.54 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.80 2k1h s PHE 55 N -0.23 2.79 -0.11 3.97 0.08 -1.13 -2.47 117.98 120.89 2k1h s PHE 55 Ca -0.01 -0.10 -0.02 0.00 0.12 0.00 0.00 56.93 56.93 2k1h s PHE 55 Cb -0.12 -1.60 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2k1h s PHE 55 CO 0.02 0.31 0.01 -0.47 -0.10 0.00 0.00 175.22 174.99 2k1h s TYR 56 N -0.90 0.75 -0.20 0.36 5.04 -1.26 -3.59 117.35 117.55 2k1h s TYR 56 Ca 0.15 -0.36 -0.28 0.00 -2.44 0.00 0.00 57.07 54.14 2k1h s TYR 56 Cb -0.11 -0.86 0.11 0.00 0.35 0.00 0.00 41.96 41.45 2k1h s TYR 56 CO 0.05 -0.41 0.92 0.54 -1.34 0.00 0.00 175.55 175.30 2k1h s VAL 57 N 1.95 0.00 0.00 3.14 0.11 -1.24 -3.76 120.40 120.59 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 -0.06 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 171.89 2k1h n LEU 58 N 1.54 0.00 -0.97 2.54 7.99 -1.23 -3.10 117.00 123.77 2k1h n LEU 58 Ca -0.13 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 55.93 2k1h n LEU 58 Cb 0.57 0.00 0.21 0.00 -0.11 0.00 0.00 43.42 44.08 2k1h n LEU 58 CO 0.11 -0.28 0.64 0.47 -1.51 0.00 0.00 177.39 176.82 2k1h n ASP 59 N -3.08 2.80 -3.95 -1.43 8.00 -1.26 -4.63 116.55 112.99 2k1h n ASP 59 Ca 0.00 -2.18 -0.10 0.00 0.71 0.00 0.00 54.79 53.22 2k1h n ASP 59 Cb 0.00 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.63 0.20 0.18 1.24 -0.12 -1.18 -1.99 117.98 114.68 2k1h s PHE 60 Ca 0.30 -0.42 0.07 0.00 -0.05 0.00 0.00 56.93 56.82 2k1h s PHE 60 Cb 0.18 -0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 2k1h s PHE 60 CO 0.16 -0.19 -0.13 0.96 -0.05 0.00 0.00 175.22 175.97 2k1h s ILE 61 N -1.32 1.55 -0.09 -4.49 -4.36 -1.15 -3.80 121.20 107.54 2k1h s ILE 61 Ca -0.14 -2.14 0.04 0.00 -0.26 0.00 0.00 60.65 58.14 2k1h s ILE 61 Cb -0.09 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.67 2k1h s ILE 61 CO -0.01 -0.63 -0.20 -0.94 0.24 0.00 0.00 174.94 173.40 2k1h s SER 62 N -3.22 2.66 -0.29 4.36 1.04 -1.24 -3.23 113.70 113.78 2k1h s SER 62 Ca 0.20 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 2k1h s SER 62 Cb -0.00 -1.20 0.05 0.00 0.10 0.00 0.00 66.02 64.97 2k1h s SER 62 CO 0.05 0.12 -0.02 -0.63 0.98 0.00 0.00 173.24 173.74 2k1h s ILE 63 N 0.42 2.88 -0.40 -1.02 1.01 -1.23 -2.84 121.20 120.02 2k1h s ILE 63 Ca -0.17 -1.38 -0.14 0.00 0.00 0.00 0.00 60.65 58.97 2k1h s ILE 63 Cb -0.17 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.68 2k1h s ILE 63 CO 0.07 -0.07 0.27 -1.81 0.00 0.00 0.00 174.94 173.41 2k1h s ASP 64 N 1.24 5.98 0.17 3.58 1.01 -1.22 -3.78 116.67 123.66 2k1h s ASP 64 Ca -0.05 -0.96 0.10 0.00 0.71 0.00 0.00 52.55 52.35 2k1h s ASP 64 Cb -0.19 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2k1h s ASP 64 CO -0.02 -0.44 -0.22 -0.54 0.21 0.00 0.00 175.17 174.16 2k1h s LYS 65 N 1.63 1.39 0.93 8.23 1.02 -1.21 -2.04 119.74 129.70 2k1h s LYS 65 Ca 0.04 -1.43 -0.11 0.00 0.02 0.00 0.00 55.97 54.48 2k1h s LYS 65 Cb -0.19 -1.64 0.15 0.00 -0.52 0.00 0.00 37.83 35.63 2k1h s LYS 65 CO 0.09 0.35 1.09 -1.21 -0.92 0.00 0.00 175.35 174.75 2k1h s GLU 66 N -2.57 0.93 0.54 1.68 2.02 0.16 -4.66 118.70 116.80 2k1h s GLU 66 Ca 0.17 0.92 0.22 0.00 0.02 0.00 0.00 54.97 56.30 2k1h s GLU 66 Cb -0.08 -1.76 1.43 0.00 0.10 0.00 0.00 34.13 33.82 2k1h s GLU 66 CO 0.08 -2.50 2.13 0.38 0.02 0.00 0.00 175.26 175.37 2k1h h ASP 67 N -1.74 0.00 0.00 -0.19 2.03 -1.93 0.13 116.42 114.73 2k1h h ASP 67 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2k1h h ASP 67 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2k1h h ASP 67 CO 0.52 0.00 0.00 0.59 -1.03 0.00 0.00 179.24 179.32 2k1h n ASN 68 N -4.31 0.00 -4.87 4.15 5.03 -1.26 -4.71 115.26 109.29 2k1h n ASN 68 Ca 0.00 -0.69 -0.34 0.00 0.87 0.00 0.00 54.58 54.42 2k1h n ASN 68 Cb 0.23 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.93 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k1h s ALA 69 N -2.00 3.74 -0.04 5.41 0.00 0.46 -4.88 121.76 124.44 2k1h s ALA 69 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 2k1h s ALA 69 Cb 0.08 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.99 2k1h s ALA 69 CO 0.13 0.58 0.08 0.54 0.00 0.00 0.00 175.76 177.08 2k1h s ASN 70 N -1.80 0.69 0.48 0.00 6.03 -1.26 -4.91 114.94 114.16 2k1h s ASN 70 Ca 0.33 0.13 0.21 0.00 -1.03 0.00 0.00 52.86 52.50 2k1h s ASN 70 Cb -0.14 -0.02 1.20 0.00 -3.03 0.00 0.00 41.25 39.26 2k1h s ASN 70 CO 0.18 -0.21 2.01 -0.50 -2.03 0.00 0.00 177.10 176.56 2k1h h TRP 71 N 8.04 0.00 0.00 1.54 6.55 -1.98 -2.14 115.95 127.96 2k1h h TRP 71 Ca -0.23 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.61 2k1h h TRP 71 Cb 1.12 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.42 2k1h h TRP 71 CO 0.47 0.17 0.10 -0.91 -1.05 0.00 0.00 178.44 177.23 2k1h h ASN 72 N 0.00 0.00 0.15 -3.49 2.35 -2.01 0.51 115.58 113.09 2k1h h ASN 72 Ca -0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 2k1h h ASN 72 Cb 0.37 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 2k1h h ASN 72 CO 0.02 0.00 -2.17 -0.62 -1.65 0.00 0.00 177.43 173.01 2k1h n GLU 73 N -2.42 0.68 0.10 0.81 1.02 -0.81 -4.32 120.64 115.70 2k1h n GLU 73 Ca -0.02 0.14 -0.05 0.00 -0.02 0.00 0.00 57.16 57.22 2k1h n GLU 73 Cb 0.14 -1.62 0.05 0.00 -0.02 0.00 0.00 31.44 29.99 2k1h n GLU 73 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k1h h LEU 74 N 0.01 0.12 -0.71 -4.62 -0.00 -1.03 -3.33 115.31 105.75 2k1h h LEU 74 Ca -0.47 -0.09 0.07 0.00 -0.00 0.00 0.00 57.88 57.39 2k1h h LEU 74 Cb 2.08 -0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 42.62 2k1h h LEU 74 CO 0.03 0.84 -0.47 -0.07 -0.00 0.00 0.00 178.44 178.77 2k1h h LEU 75 N 0.06 -1.70 -2.02 1.67 4.07 -1.23 0.74 115.31 116.90 2k1h h LEU 75 Ca -0.02 0.25 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 2k1h h LEU 75 Cb 1.35 0.74 -0.00 0.00 1.08 0.00 0.00 40.66 43.83 2k1h h LEU 75 CO 0.11 -0.21 -0.10 1.55 -1.08 0.00 0.00 178.44 178.71 2k1h h PRO 76 N -0.06 0.00 0.03 1.13 0.13 -1.82 -0.99 132.00 130.41 2k1h h PRO 76 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2k1h h PRO 76 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2k1h h PRO 76 CO -0.70 0.10 -0.01 1.96 -0.23 0.00 0.00 178.00 179.11 2k1h h GLN 77 N 0.00 -0.04 -0.61 0.86 1.08 -0.48 -3.35 115.11 112.58 2k1h h GLN 77 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2k1h h GLN 77 Cb 0.27 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2k1h h GLN 77 CO 0.01 0.38 0.07 -0.84 -0.95 0.00 0.00 178.83 177.50 2k1h h ILE 78 N -0.99 1.26 -1.03 2.54 -0.00 0.27 -2.60 117.51 116.96 2k1h h ILE 78 Ca -0.00 -1.04 0.30 0.00 -0.00 0.00 0.00 64.86 64.12 2k1h h ILE 78 Cb 0.43 0.71 -0.04 0.00 -0.00 0.00 0.00 36.82 37.93 2k1h h ILE 78 CO 0.01 0.38 0.77 -0.08 -0.00 0.00 0.00 178.15 179.23 2k1h h GLU 79 N 0.95 0.00 0.00 0.16 4.81 -1.33 1.02 114.58 120.18 2k1h h GLU 79 Ca 0.18 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2k1h h GLU 79 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2k1h h GLU 79 CO 0.02 0.00 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.07 2k1h h ASN 80 N 0.00 0.00 -0.12 1.04 2.35 -1.59 -2.64 115.58 114.63 2k1h h ASN 80 Ca 0.49 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.24 2k1h h ASN 80 Cb 2.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.39 2k1h h ASN 80 CO -0.01 0.32 0.07 0.71 -1.65 0.00 0.00 177.43 176.88 2k1h h THR 81 N 0.00 1.05 0.02 2.81 1.35 0.97 -2.26 112.91 116.86 2k1h h THR 81 Ca -0.00 -0.13 -0.23 0.00 -0.55 0.00 0.00 66.41 65.49 2k1h h THR 81 Cb 0.78 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2k1h h THR 81 CO 0.04 0.05 -0.99 2.19 -0.25 0.00 0.00 175.52 176.57 2k1h h PHE 82 N 0.13 0.59 -0.88 4.73 -5.15 -1.62 -3.25 116.94 111.50 2k1h h PHE 82 Ca 0.04 -0.34 0.10 0.00 -0.20 0.00 0.00 57.97 57.58 2k1h h PHE 82 Cb 0.02 -0.06 -0.06 0.00 0.22 0.00 0.00 35.95 36.06 2k1h h PHE 82 CO -0.06 1.17 0.57 0.00 -2.00 0.00 0.00 178.31 177.99 2k1h h ALA 83 N 0.72 1.66 0.00 12.09 0.00 -1.34 0.43 119.26 132.83 2k1h h ALA 83 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k1h h ALA 83 Cb 1.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2k1h h ALA 83 CO 0.17 0.15 0.00 1.17 0.00 0.00 0.00 179.25 180.74 2k1h n LYS 84 N -4.53 0.32 0.06 0.00 4.81 -0.86 -2.75 118.16 115.21 2k1h n LYS 84 Ca 0.15 0.05 0.04 0.00 -0.87 0.00 0.00 58.31 57.68 2k1h n LYS 84 Cb 0.32 -1.50 0.45 0.00 0.02 0.00 0.00 35.03 34.32 2k1h n LYS 84 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1h h SER 85 N 0.00 0.36 0.00 3.14 4.64 -0.28 -3.52 113.55 117.88 2k1h h SER 85 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2k1h h SER 85 Cb 0.03 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2k1h h SER 85 CO 0.00 0.30 0.00 -0.46 -0.87 0.00 0.00 176.83 175.80