#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 2.50 0.36 0.03 2.56 -1.26 -5.00 118.70 117.89 2k1h s GLU 2 Ca 0.00 -1.39 -0.25 0.00 0.00 0.00 0.00 54.97 53.33 2k1h s GLU 2 Cb 0.00 -3.57 -0.13 0.00 2.00 0.00 0.00 34.13 32.43 2k1h s GLU 2 CO 0.00 -0.83 0.85 -0.89 -0.56 0.00 0.00 175.26 173.83 2k1h n ILE 3 N 4.80 2.07 0.00 -3.70 5.41 -1.26 -4.49 119.36 122.19 2k1h n ILE 3 Ca -0.10 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.15 2k1h n ILE 3 Cb 0.43 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 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 -0.29 0.00 -3.90 1.39 2.08 -1.12 -5.02 119.36 112.50 2k1h n ILE 4 Ca 0.11 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.41 2k1h n ILE 4 Cb 0.36 -0.75 0.01 0.00 -0.75 0.00 0.00 39.64 38.50 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 -2.00 -1.98 -0.05 -1.39 0.00 -0.72 -5.03 121.76 110.59 2k1h s ALA 5 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 2k1h s ALA 5 Cb 0.00 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2k1h s ALA 5 CO 0.00 -1.10 0.12 0.96 0.00 0.00 0.00 175.76 175.75 2k1h s ILE 6 N -2.17 -0.02 -0.27 0.00 -4.36 -1.26 -1.93 121.20 111.18 2k1h s ILE 6 Ca 0.24 0.06 -0.01 0.00 -0.26 0.00 0.00 60.65 60.68 2k1h s ILE 6 Cb -0.01 -0.19 0.04 0.00 1.25 0.00 0.00 42.46 43.55 2k1h s ILE 6 CO 0.02 0.02 -0.05 -0.44 0.24 0.00 0.00 174.94 174.74 2k1h s SER 7 N 0.42 4.57 -0.38 4.36 0.01 0.30 -4.95 113.70 118.04 2k1h s SER 7 Ca -0.03 -1.16 -0.26 0.00 1.31 0.00 0.00 55.95 55.82 2k1h s SER 7 Cb -0.04 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.55 2k1h s SER 7 CO -0.02 -0.20 0.93 -1.61 0.41 0.00 0.00 173.24 172.75 2k1h s GLU 8 N 1.25 3.81 0.89 12.44 8.01 -1.26 -2.03 118.70 141.80 2k1h s GLU 8 Ca -0.04 0.53 -0.12 0.00 0.01 0.00 0.00 54.97 55.35 2k1h s GLU 8 Cb -0.19 -3.82 0.17 0.00 -4.31 0.00 0.00 34.13 25.99 2k1h s GLU 8 CO -0.03 -0.98 1.23 0.95 0.01 0.00 0.00 175.26 176.44 2k1h s THR 9 N 3.51 2.04 -0.86 3.63 -4.23 -1.26 -4.88 115.64 113.58 2k1h s THR 9 Ca 0.38 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2k1h s THR 9 Cb -0.12 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2k1h s THR 9 CO 0.20 0.00 0.14 -2.65 -0.54 0.00 0.00 174.62 171.76 2k1h n PRO 10 N -3.50 0.24 -2.97 3.99 -0.02 -1.26 -4.71 135.00 126.78 2k1h n PRO 10 Ca 0.14 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.44 2k1h n PRO 10 Cb 0.60 -1.16 0.04 0.00 -0.02 0.00 0.00 33.50 32.96 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 0.45 2.05 -0.03 2.55 3.02 -1.26 -5.09 115.26 116.94 2k1h n ASN 11 Ca 0.00 -2.42 -0.07 0.00 -0.03 0.00 0.00 54.58 52.06 2k1h n ASN 11 Cb 0.07 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 2k1h n ASN 11 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k1h n HIS 12 N -1.91 0.00 0.45 3.10 8.25 -1.26 -4.76 115.22 119.09 2k1h n HIS 12 Ca 0.08 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 2k1h n HIS 12 Cb 0.52 -0.27 0.18 0.00 1.12 0.00 0.00 29.99 31.53 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 -3.67 3.29 -4.33 0.41 6.94 -1.26 -4.91 115.26 111.73 2k1h n ASN 13 Ca -0.12 -1.97 -0.33 0.00 -0.02 0.00 0.00 54.58 52.14 2k1h n ASN 13 Cb 0.41 -0.18 -0.15 0.00 -2.36 0.00 0.00 39.78 37.49 2k1h n ASN 13 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2k1h s THR 14 N -1.56 2.69 0.03 5.53 2.01 -1.26 -3.65 115.64 119.44 2k1h s THR 14 Ca 0.35 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 2k1h s THR 14 Cb 0.21 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.64 2k1h s THR 14 CO 0.30 0.54 0.18 -0.04 -0.69 0.00 0.00 174.62 174.92 2k1h s MET 15 N 0.20 0.64 -0.12 4.92 -1.94 -1.25 -4.37 119.30 117.38 2k1h s MET 15 Ca -0.11 -0.57 -0.03 0.00 -1.71 0.00 0.00 55.69 53.27 2k1h s MET 15 Cb -0.16 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 36.91 2k1h s MET 15 CO 0.06 -0.18 0.00 0.21 -0.01 0.00 0.00 175.02 175.11 2k1h s LYS 16 N -2.26 3.31 -0.22 2.03 2.20 -0.86 -3.51 119.74 120.43 2k1h s LYS 16 Ca -0.08 -0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.07 2k1h s LYS 16 Cb -0.03 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 2k1h s LYS 16 CO -0.02 0.53 -0.02 0.08 -0.36 0.00 0.00 175.35 175.56 2k1h s VAL 17 N -0.39 3.61 -0.19 4.02 1.01 -1.14 -0.54 120.40 126.79 2k1h s VAL 17 Ca 0.07 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2k1h s VAL 17 Cb -0.12 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2k1h s VAL 17 CO 0.02 0.41 0.31 -0.55 0.00 0.00 0.00 175.10 175.29 2k1h s SER 18 N 1.44 6.39 -0.03 3.32 0.15 -0.81 -2.74 113.70 121.41 2k1h s SER 18 Ca 0.05 0.45 -0.29 0.00 0.70 0.00 0.00 55.95 56.87 2k1h s SER 18 Cb -0.14 -2.19 0.09 0.00 -1.71 0.00 0.00 66.02 62.07 2k1h s SER 18 CO -0.01 0.03 0.81 -1.48 1.20 0.00 0.00 173.24 173.79 2k1h s LEU 19 N 0.87 -0.49 -0.64 3.45 2.34 -1.04 -1.75 118.68 121.42 2k1h s LEU 19 Ca 0.16 0.31 -0.20 0.00 0.06 0.00 0.00 54.13 54.47 2k1h s LEU 19 Cb -0.14 2.23 0.10 0.00 -0.56 0.00 0.00 46.19 47.82 2k1h s LEU 19 CO 0.05 -0.60 0.81 -0.55 -1.06 0.00 0.00 176.35 175.00 2k1h s SER 20 N -1.78 6.22 0.40 1.48 0.15 -1.26 -4.22 113.70 114.69 2k1h s SER 20 Ca -0.02 -1.39 -0.17 0.00 0.70 0.00 0.00 55.95 55.07 2k1h s SER 20 Cb -0.01 -2.34 -0.09 0.00 -1.71 0.00 0.00 66.02 61.88 2k1h s SER 20 CO -0.01 -1.19 0.85 -1.83 1.20 0.00 0.00 173.24 172.26 2k1h s GLU 21 N 3.00 4.04 0.48 5.44 4.04 -1.26 -3.92 118.70 130.52 2k1h s GLU 21 Ca 0.16 0.84 0.31 0.00 0.04 0.00 0.00 54.97 56.32 2k1h s GLU 21 Cb -0.21 -2.29 1.24 0.00 0.02 0.00 0.00 34.13 32.89 2k1h s GLU 21 CO 0.06 -0.00 1.91 -1.00 -1.84 0.00 0.00 175.26 174.39 2k1h h PRO 22 N 1.78 0.00 -5.68 -4.83 0.13 -1.96 -3.42 132.00 118.02 2k1h h PRO 22 Ca -0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 2k1h h PRO 22 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2k1h h PRO 22 CO 0.63 0.00 0.73 0.50 -0.23 0.00 0.00 178.00 179.63 2k1h s ARG 23 N -3.57 2.36 -0.16 0.86 6.06 -1.26 -4.76 118.95 118.48 2k1h s ARG 23 Ca 0.02 0.07 0.03 0.00 -2.50 0.00 0.00 55.73 53.35 2k1h s ARG 23 Cb 0.09 -4.89 0.31 0.00 0.06 0.00 0.00 34.95 30.52 2k1h s ARG 23 CO 0.52 -3.49 1.27 1.04 -2.50 0.00 0.00 175.30 172.13 2k1h n GLN 24 N 8.90 1.92 0.00 5.12 6.02 -1.26 -3.44 117.38 134.65 2k1h n GLN 24 Ca 0.38 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 2k1h n GLN 24 Cb 0.47 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2k1h n GLN 24 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2k1h n ASP 25 N -0.04 1.07 -3.25 1.08 2.03 -1.26 -5.07 116.55 111.12 2k1h n ASP 25 Ca 0.21 -1.49 -0.33 0.00 0.52 0.00 0.00 54.79 53.70 2k1h n ASP 25 Cb 0.88 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.31 2k1h n ASP 25 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k1h n ASN 26 N -0.24 -5.01 -4.59 1.67 3.02 -1.22 -4.93 115.26 103.96 2k1h n ASN 26 Ca 0.00 -0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.08 2k1h n ASN 26 Cb 0.31 -1.43 -0.10 0.00 -0.61 0.00 0.00 39.78 37.94 2k1h n ASN 26 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2k1h s SER 27 N -1.28 5.59 -0.17 6.41 0.15 -1.26 -4.82 113.70 118.33 2k1h s SER 27 Ca 0.32 0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.88 2k1h s SER 27 Cb -0.03 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 2k1h s SER 27 CO 0.73 0.10 0.17 0.72 1.20 0.00 0.00 173.24 176.16 2k1h s PHE 28 N 0.84 3.48 -0.30 3.44 -0.12 -1.24 -4.15 117.98 119.94 2k1h s PHE 28 Ca 0.04 0.45 -0.06 0.00 -0.05 0.00 0.00 56.93 57.32 2k1h s PHE 28 Cb -0.13 -2.14 0.19 0.00 -0.63 0.00 0.00 43.02 40.30 2k1h s PHE 28 CO 0.02 0.41 0.82 0.99 -0.05 0.00 0.00 175.22 177.42 2k1h s THR 29 N -0.03 -0.65 -0.22 -4.49 2.01 -1.25 -5.03 115.64 105.98 2k1h s THR 29 Ca 0.12 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 2k1h s THR 29 Cb -0.12 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.50 2k1h s THR 29 CO 0.01 0.00 0.99 -0.89 -0.69 0.00 0.00 174.62 174.04 2k1h s THR 30 N 2.90 4.73 0.13 -0.82 2.01 -1.26 -4.30 115.64 119.03 2k1h s THR 30 Ca 0.12 1.93 -0.03 0.00 0.31 0.00 0.00 61.69 64.02 2k1h s THR 30 Cb -0.11 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 2k1h s THR 30 CO -0.18 -0.13 0.10 -0.72 -0.69 0.00 0.00 174.62 172.99 2k1h s TYR 31 N 2.95 0.72 -0.30 4.92 -0.85 -1.20 -4.98 117.35 118.62 2k1h s TYR 31 Ca 0.43 -1.11 -0.11 0.00 -0.52 0.00 0.00 57.07 55.75 2k1h s TYR 31 Cb -0.15 -0.38 0.17 0.00 0.38 0.00 0.00 41.96 41.98 2k1h s TYR 31 CO 0.08 -0.55 0.92 -0.08 -1.52 0.00 0.00 175.55 174.40 2k1h s THR 32 N -4.02 -0.55 0.00 -3.49 -1.32 -1.26 -3.27 115.64 101.73 2k1h s THR 32 Ca 0.21 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 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 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 2k1h n ALA 33 N 5.29 0.00 -2.67 11.08 0.00 -1.26 -5.07 120.51 127.88 2k1h n ALA 33 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2k1h n ALA 33 Cb 0.53 0.00 -0.03 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 -0.27 3.55 0.04 0.00 0.00 -1.26 -4.61 121.76 119.21 2k1h s ALA 34 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 2k1h s ALA 34 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2k1h s ALA 34 CO 0.00 -0.80 0.08 -0.65 0.00 0.00 0.00 175.76 174.39 2k1h s GLN 35 N 2.53 0.60 0.34 0.00 -1.52 -1.26 -5.07 119.66 115.28 2k1h s GLN 35 Ca 0.44 -0.82 -0.27 0.00 -1.95 0.00 0.00 55.36 52.75 2k1h s GLN 35 Cb -0.16 0.23 -0.09 0.00 -0.22 0.00 0.00 33.01 32.76 2k1h s GLN 35 CO 0.12 -0.15 1.10 -1.21 -0.25 0.00 0.00 175.29 174.90 2k1h s GLU 36 N -2.83 4.40 0.00 2.91 2.02 -1.26 -2.82 118.70 121.12 2k1h s GLU 36 Ca -0.03 1.74 0.00 0.00 0.02 0.00 0.00 54.97 56.70 2k1h s GLU 36 Cb 0.00 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.32 2k1h s GLU 36 CO -0.06 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2k1h n GLY 37 N 0.85 1.43 3.94 -1.39 0.00 -1.26 -5.00 105.19 103.76 2k1h n GLY 37 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.11 3.47 -0.44 1.61 1.11 -1.13 -4.98 119.66 119.19 2k1h s GLN 38 Ca 0.00 -0.52 -0.35 0.00 0.01 0.00 0.00 55.36 54.50 2k1h s GLN 38 Cb 0.00 -2.90 -0.16 0.00 -1.01 0.00 0.00 33.01 28.94 2k1h s GLN 38 CO 0.00 0.45 1.78 -2.30 0.01 0.00 0.00 175.29 175.24 2k1h n PRO 39 N -0.74 0.00 -0.18 2.91 -0.02 -1.26 -4.78 135.00 130.93 2k1h n PRO 39 Ca -0.06 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.46 2k1h n PRO 39 Cb 0.54 -1.23 0.32 0.00 -0.02 0.00 0.00 33.50 33.12 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 7.55 0.82 -0.07 -0.52 5.08 -1.93 -1.22 114.58 124.27 2k1h h GLU 40 Ca -0.08 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2k1h h GLU 40 Cb 1.15 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 2k1h h GLU 40 CO 0.91 0.54 -0.13 0.35 -1.00 0.00 0.00 179.01 179.68 2k1h h PHE 41 N 0.84 -0.33 -0.66 4.33 3.57 -1.95 0.65 116.94 123.39 2k1h h PHE 41 Ca 0.29 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 2k1h h PHE 41 Cb 0.09 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2k1h h PHE 41 CO -0.00 -0.19 0.20 0.82 -2.23 0.00 0.00 178.31 176.91 2k1h h ILE 42 N -0.18 1.25 -0.90 1.41 1.08 -1.80 -2.73 117.51 115.63 2k1h h ILE 42 Ca 0.07 -0.87 0.01 0.00 -0.39 0.00 0.00 64.86 63.68 2k1h h ILE 42 Cb 0.28 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2k1h h ILE 42 CO -0.18 0.34 0.60 0.78 -0.69 0.00 0.00 178.15 178.99 2k1h h ASN 43 N 0.96 1.03 -0.90 1.72 2.35 -0.65 -1.94 115.58 118.15 2k1h h ASN 43 Ca 0.21 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2k1h h ASN 43 Cb 0.30 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 2k1h h ASN 43 CO -0.01 0.74 0.53 0.03 -1.65 0.00 0.00 177.43 177.08 2k1h h ARG 44 N 1.21 1.23 -0.64 0.81 2.47 -0.58 -2.39 114.38 116.49 2k1h h ARG 44 Ca 0.33 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.89 2k1h h ARG 44 Cb -0.12 -0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 27.91 2k1h h ARG 44 CO -0.08 0.87 0.23 -0.07 0.56 0.00 0.00 179.97 181.48 2k1h h LEU 45 N 1.24 0.91 -1.56 3.04 4.07 -1.25 -2.50 115.31 119.27 2k1h h LEU 45 Ca 0.32 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 2k1h h LEU 45 Cb -0.03 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 2k1h h LEU 45 CO -0.06 0.85 -0.23 0.15 -1.08 0.00 0.00 178.44 178.07 2k1h h PHE 46 N 0.91 0.00 0.00 1.13 3.57 -1.03 -1.60 116.94 119.92 2k1h h PHE 46 Ca 0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2k1h h PHE 46 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2k1h h PHE 46 CO 0.02 0.23 0.00 0.39 -2.23 0.00 0.00 178.31 176.72 2k1h n GLU 47 N -4.13 0.00 -4.23 1.11 1.02 -0.95 -4.67 120.64 108.80 2k1h n GLU 47 Ca -0.02 0.21 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 2k1h n GLU 47 Cb 0.29 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 2k1h n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2k1h s ILE 48 N -3.00 4.45 0.05 -3.67 -1.16 -0.60 -5.08 121.20 112.19 2k1h s ILE 48 Ca 0.08 -0.17 -0.31 0.00 -0.51 0.00 0.00 60.65 59.74 2k1h s ILE 48 Cb 0.11 -2.94 -0.06 0.00 0.61 0.00 0.00 42.46 40.19 2k1h s ILE 48 CO 0.31 0.54 1.25 -0.70 -2.81 0.00 0.00 174.94 173.53 2k1h s GLU 49 N -0.22 4.39 0.00 3.50 2.56 -1.26 -3.71 118.70 123.96 2k1h s GLU 49 Ca 0.06 1.82 0.00 0.00 0.00 0.00 0.00 54.97 56.85 2k1h s GLU 49 Cb -0.12 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.62 2k1h s GLU 49 CO 0.02 -0.34 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 2k1h n GLY 50 N 3.32 3.70 3.71 -1.50 0.00 -1.26 -4.60 105.19 108.55 2k1h n GLY 50 Ca 0.10 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.05 3.33 -0.26 1.61 1.01 -1.24 0.35 120.40 125.15 2k1h s VAL 51 Ca 0.00 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.88 2k1h s VAL 51 Cb 0.00 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.64 2k1h s VAL 51 CO 0.00 0.05 -0.23 0.29 0.00 0.00 0.00 175.10 175.20 2k1h n LYS 52 N 4.44 0.65 -3.78 2.72 5.02 -0.95 -4.93 118.16 121.32 2k1h n LYS 52 Ca 0.12 0.16 -0.04 0.00 -2.02 0.00 0.00 58.31 56.53 2k1h n LYS 52 Cb 0.42 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 2k1h n LYS 52 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k1h s SER 53 N -6.60 -0.16 -0.01 4.39 0.01 -1.25 -4.97 113.70 105.11 2k1h s SER 53 Ca -0.35 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.43 2k1h s SER 53 Cb 0.09 0.53 0.01 0.00 0.21 0.00 0.00 66.02 66.86 2k1h s SER 53 CO 0.59 -1.00 -0.03 -0.63 0.41 0.00 0.00 173.24 172.59 2k1h s ILE 54 N -3.22 0.25 -0.12 1.44 1.09 -1.20 -3.32 121.20 116.13 2k1h s ILE 54 Ca 0.13 -0.09 -0.01 0.00 -1.10 0.00 0.00 60.65 59.58 2k1h s ILE 54 Cb -0.02 -0.25 -0.02 0.00 -1.06 0.00 0.00 42.46 41.11 2k1h s ILE 54 CO 0.04 0.10 -0.08 -0.36 -0.10 0.00 0.00 174.94 174.53 2k1h s PHE 55 N 0.20 2.91 -0.26 3.97 0.08 -1.08 -3.23 117.98 120.56 2k1h s PHE 55 Ca -0.02 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2k1h s PHE 55 Cb -0.05 -1.83 0.07 0.00 -0.57 0.00 0.00 43.02 40.64 2k1h s PHE 55 CO -0.00 0.02 -0.06 -0.47 -0.10 0.00 0.00 175.22 174.61 2k1h s TYR 56 N -0.04 2.91 -0.15 0.36 5.04 -1.26 -3.21 117.35 121.01 2k1h s TYR 56 Ca -0.01 -2.16 -0.29 0.00 -2.44 0.00 0.00 57.07 52.17 2k1h s TYR 56 Cb -0.14 -1.91 0.10 0.00 0.35 0.00 0.00 41.96 40.36 2k1h s TYR 56 CO 0.03 -0.85 0.85 0.54 -1.34 0.00 0.00 175.55 174.79 2k1h s VAL 57 N 1.22 0.00 0.00 3.14 0.11 -1.25 -3.72 120.40 119.90 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 -0.19 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 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 1.22 0.00 -0.90 2.54 -0.00 -1.26 -3.36 117.00 115.24 2k1h n LEU 58 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.91 2k1h n LEU 58 Cb 0.57 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.16 2k1h n LEU 58 CO 0.16 -0.42 0.59 0.47 -0.00 0.00 0.00 177.39 178.18 2k1h n ASP 59 N -2.29 2.55 -3.82 1.96 8.00 -1.26 -4.76 116.55 116.93 2k1h n ASP 59 Ca 0.00 -2.22 -0.09 0.00 0.71 0.00 0.00 54.79 53.19 2k1h n ASP 59 Cb 0.00 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.68 0.08 0.10 1.24 -0.12 -1.21 -2.50 117.98 113.89 2k1h s PHE 60 Ca 0.24 -0.45 0.06 0.00 -0.05 0.00 0.00 56.93 56.73 2k1h s PHE 60 Cb 0.16 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2k1h s PHE 60 CO 0.12 -0.54 -0.15 0.96 -0.05 0.00 0.00 175.22 175.55 2k1h s ILE 61 N -3.60 1.28 -0.22 -4.49 -4.36 -1.11 -3.78 121.20 104.93 2k1h s ILE 61 Ca 0.03 -1.53 -0.03 0.00 -0.26 0.00 0.00 60.65 58.86 2k1h s ILE 61 Cb 0.03 -1.34 0.00 0.00 1.25 0.00 0.00 42.46 42.40 2k1h s ILE 61 CO -0.10 -0.30 -0.07 -0.44 0.24 0.00 0.00 174.94 174.27 2k1h s SER 62 N -2.10 4.11 -0.32 4.36 0.01 -1.20 -2.88 113.70 115.68 2k1h s SER 62 Ca 0.04 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 56.67 2k1h s SER 62 Cb -0.08 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2k1h s SER 62 CO 0.03 -0.04 0.16 -0.63 0.41 0.00 0.00 173.24 173.16 2k1h s ILE 63 N 1.42 4.51 -0.22 1.44 1.01 -1.23 -2.65 121.20 125.48 2k1h s ILE 63 Ca 0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 2k1h s ILE 63 Cb -0.15 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 2k1h s ILE 63 CO -0.05 -0.00 0.24 -0.62 0.00 0.00 0.00 174.94 174.50 2k1h s ASP 64 N 1.58 6.25 0.01 3.58 -1.08 -1.21 -3.93 116.67 121.87 2k1h s ASP 64 Ca 0.04 0.28 0.00 0.00 -0.52 0.00 0.00 52.55 52.35 2k1h s ASP 64 Cb -0.18 -2.15 -0.01 0.00 -1.46 0.00 0.00 42.92 39.13 2k1h s ASP 64 CO 0.06 0.04 -0.02 -0.54 0.52 0.00 0.00 175.17 175.23 2k1h s LYS 65 N 0.98 0.19 1.11 4.34 1.02 -1.24 -2.25 119.74 123.90 2k1h s LYS 65 Ca 0.12 -0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.68 2k1h s LYS 65 Cb -0.13 -0.04 0.17 0.00 -0.52 0.00 0.00 37.83 37.31 2k1h s LYS 65 CO 0.05 0.00 0.52 0.39 -0.92 0.00 0.00 175.35 175.39 2k1h n GLU 66 N 2.47 -1.73 0.24 1.68 1.02 0.16 -4.65 120.64 119.84 2k1h n GLU 66 Ca -0.17 -0.48 0.12 0.00 -0.02 0.00 0.00 57.16 56.62 2k1h n GLU 66 Cb 0.58 -1.95 0.60 0.00 -0.02 0.00 0.00 31.44 30.65 2k1h n GLU 66 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2k1h h ASP 67 N -2.25 0.00 0.65 1.62 2.03 -1.94 -2.10 116.42 114.43 2k1h h ASP 67 Ca -0.55 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 2k1h h ASP 67 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 2k1h h ASP 67 CO 0.42 0.16 0.00 -0.46 -1.03 0.00 0.00 179.24 178.34 2k1h n ASN 68 N -3.44 0.00 -4.77 4.15 6.94 -1.26 -4.81 115.26 112.07 2k1h n ASN 68 Ca -0.01 0.11 -0.39 0.00 -0.02 0.00 0.00 54.58 54.28 2k1h n ASN 68 Cb 0.34 -0.36 -0.05 0.00 -2.36 0.00 0.00 39.78 37.35 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k1h s ALA 69 N -2.72 3.27 -0.13 -2.53 0.00 -0.79 -4.97 121.76 113.88 2k1h s ALA 69 Ca 0.21 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 52.92 2k1h s ALA 69 Cb 0.18 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 20.05 2k1h s ALA 69 CO 0.43 -0.09 -0.11 1.21 0.00 0.00 0.00 175.76 177.21 2k1h s ASN 70 N -1.23 2.45 0.53 0.00 3.04 -1.26 -4.87 114.94 113.60 2k1h s ASN 70 Ca 0.49 -0.40 0.19 0.00 0.04 0.00 0.00 52.86 53.18 2k1h s ASN 70 Cb -0.26 -1.02 1.39 0.00 -1.54 0.00 0.00 41.25 39.82 2k1h s ASN 70 CO 0.33 -0.09 2.17 -0.50 -3.04 0.00 0.00 177.10 175.97 2k1h h TRP 71 N 8.11 0.00 0.00 0.43 4.06 -1.96 -0.85 115.95 125.74 2k1h h TRP 71 Ca -0.34 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.61 2k1h h TRP 71 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2k1h h TRP 71 CO 0.47 0.01 0.10 -0.91 -3.56 0.00 0.00 178.44 174.56 2k1h h ASN 72 N 0.00 0.00 0.07 -3.49 -0.26 -2.01 0.12 115.58 110.01 2k1h h ASN 72 Ca -0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.37 2k1h h ASN 72 Cb 0.02 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.22 2k1h h ASN 72 CO 0.00 0.00 -2.31 -0.62 -1.06 0.00 0.00 177.43 173.45 2k1h n GLU 73 N -2.48 0.68 0.00 0.81 1.02 -0.33 -4.45 120.64 115.89 2k1h n GLU 73 Ca -0.02 0.11 -0.18 0.00 -0.02 0.00 0.00 57.16 57.05 2k1h n GLU 73 Cb 0.14 -1.57 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 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 0.93 -0.60 -4.62 4.07 -1.07 -3.28 115.31 110.74 2k1h h LEU 74 Ca -0.52 -0.65 0.06 0.00 0.08 0.00 0.00 57.88 56.85 2k1h h LEU 74 Cb 2.07 -0.28 -0.08 0.00 1.08 0.00 0.00 40.66 43.46 2k1h h LEU 74 CO -0.00 1.45 -0.43 -0.07 -1.08 0.00 0.00 178.44 178.31 2k1h h LEU 75 N 0.49 -1.54 -2.19 1.67 4.07 -1.07 0.58 115.31 117.32 2k1h h LEU 75 Ca -0.08 0.23 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2k1h h LEU 75 Cb 1.51 0.67 -0.00 0.00 1.08 0.00 0.00 40.66 43.91 2k1h h LEU 75 CO 0.18 -0.21 -0.02 1.55 -1.08 0.00 0.00 178.44 178.85 2k1h h PRO 76 N -0.10 0.00 0.07 1.13 0.13 -1.80 0.31 132.00 131.74 2k1h h PRO 76 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2k1h h PRO 76 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2k1h h PRO 76 CO -0.62 0.02 -0.03 1.96 -0.23 0.00 0.00 178.00 179.10 2k1h h GLN 77 N 0.00 -0.08 -0.20 0.86 4.20 -0.54 -3.21 115.11 116.14 2k1h h GLN 77 Ca -0.00 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 2k1h h GLN 77 Cb 0.04 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2k1h h GLN 77 CO 0.00 0.46 -0.28 -0.84 -0.67 0.00 0.00 178.83 177.51 2k1h h ILE 78 N -0.92 1.33 -0.85 2.54 3.07 0.09 -3.08 117.51 119.70 2k1h h ILE 78 Ca -0.01 -1.49 0.21 0.00 1.55 0.00 0.00 64.86 65.13 2k1h h ILE 78 Cb 0.59 1.82 -0.05 0.00 -0.27 0.00 0.00 36.82 38.91 2k1h h ILE 78 CO 0.01 0.46 0.58 -0.08 -1.05 0.00 0.00 178.15 178.07 2k1h h GLU 79 N 0.21 0.23 -0.68 0.16 4.81 -0.53 0.35 114.58 119.12 2k1h h GLU 79 Ca 0.02 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2k1h h GLU 79 Cb 0.86 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 2k1h h GLU 79 CO 0.07 0.15 0.16 -0.91 -0.73 0.00 0.00 179.01 177.74 2k1h h ASN 80 N 0.23 1.03 0.04 1.04 -0.26 -1.53 0.10 115.58 116.23 2k1h h ASN 80 Ca 0.43 -0.22 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 2k1h h ASN 80 Cb 1.31 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 2k1h h ASN 80 CO -0.10 0.99 -0.02 0.74 -1.06 0.00 0.00 177.43 177.98 2k1h h THR 81 N 1.03 1.07 -0.13 2.81 2.02 -0.36 0.42 112.91 119.77 2k1h h THR 81 Ca 0.21 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2k1h h THR 81 Cb 0.37 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2k1h h THR 81 CO 0.00 0.09 0.06 0.15 0.37 0.00 0.00 175.52 176.19 2k1h h PHE 82 N -0.21 0.18 -0.81 3.16 3.57 -1.35 -1.73 116.94 119.76 2k1h h PHE 82 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2k1h h PHE 82 Cb 0.19 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2k1h h PHE 82 CO -0.02 0.22 0.42 0.00 -2.23 0.00 0.00 178.31 176.69 2k1h h ALA 83 N 0.95 1.04 0.00 2.41 0.00 -0.70 -1.06 119.26 121.90 2k1h h ALA 83 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k1h h ALA 83 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2k1h h ALA 83 CO -0.01 0.57 0.00 1.63 0.00 0.00 0.00 179.25 181.45 2k1h n LYS 84 N -4.38 0.92 -0.31 0.00 4.76 0.15 -3.74 118.16 115.56 2k1h n LYS 84 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2k1h n LYS 84 Cb 0.11 -1.25 0.14 0.00 -1.84 0.00 0.00 35.03 32.19 2k1h n LYS 84 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2k1h h SER 85 N 0.00 0.83 0.00 4.39 0.02 -0.25 -3.49 113.55 115.05 2k1h h SER 85 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k1h h SER 85 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2k1h h SER 85 CO 0.00 0.53 0.00 0.59 -1.14 0.00 0.00 176.83 176.81