#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4w s SER 2 N 0.00 -0.55 -0.15 0.00 0.01 -1.26 -2.08 113.70 109.66 2k4w s SER 2 Ca 0.00 0.34 -0.07 0.00 1.31 0.00 0.00 55.95 57.54 2k4w s SER 2 Cb 0.00 0.53 0.06 0.00 0.21 0.00 0.00 66.02 66.83 2k4w s SER 2 CO 0.00 -0.73 0.33 -0.70 0.41 0.00 0.00 173.24 172.55 2k4w s GLU 3 N -2.26 0.27 -0.47 12.44 2.56 0.76 -4.99 118.70 127.02 2k4w s GLU 3 Ca -0.06 0.75 -0.26 0.00 0.00 0.00 0.00 54.97 55.40 2k4w s GLU 3 Cb -0.01 0.01 0.03 0.00 2.00 0.00 0.00 34.13 36.17 2k4w s GLU 3 CO 0.00 -0.21 0.98 0.21 -0.56 0.00 0.00 175.26 175.69 2k4w s LYS 4 N 1.83 3.57 -0.24 4.30 2.20 -1.26 -1.26 119.74 128.88 2k4w s LYS 4 Ca -0.05 0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.70 2k4w s LYS 4 Cb -0.10 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.24 2k4w s LYS 4 CO -0.11 -1.28 0.18 0.08 -0.36 0.00 0.00 175.35 173.87 2k4w s VAL 5 N 3.95 5.34 -0.41 4.02 1.01 0.27 -4.87 120.40 129.71 2k4w s VAL 5 Ca 0.40 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2k4w s VAL 5 Cb -0.09 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.78 2k4w s VAL 5 CO 0.28 0.33 1.33 -0.83 0.00 0.00 0.00 175.10 176.21 2k4w s GLY 6 N 1.13 1.19 -0.15 4.51 0.00 -1.26 -0.86 107.32 111.88 2k4w s GLY 6 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 2k4w s GLY 6 CO 0.05 2.66 0.27 1.06 0.00 0.00 0.00 173.10 177.14 2k4w s MET 7 N 4.70 4.15 -0.01 2.90 -1.94 -1.19 -4.35 119.30 123.56 2k4w s MET 7 Ca 0.57 0.06 0.04 0.00 -1.71 0.00 0.00 55.69 54.66 2k4w s MET 7 Cb -0.13 -3.39 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 2k4w s MET 7 CO 0.31 0.33 -0.13 -0.80 -0.01 0.00 0.00 175.02 174.72 2k4w s ASN 8 N 0.21 4.16 0.30 3.03 -0.87 -0.47 -4.32 114.94 116.97 2k4w s ASN 8 Ca 0.16 -0.25 -0.29 0.00 -1.57 0.00 0.00 52.86 50.91 2k4w s ASN 8 Cb -0.13 -0.86 -0.10 0.00 -0.02 0.00 0.00 41.25 40.14 2k4w s ASN 8 CO 0.04 0.30 1.38 -0.76 -2.57 0.00 0.00 177.10 175.49 2k4w s LEU 9 N -1.17 4.40 0.01 0.60 1.43 0.24 -0.81 118.68 123.38 2k4w s LEU 9 Ca 0.14 2.71 0.01 0.00 -1.03 0.00 0.00 54.13 55.96 2k4w s LEU 9 Cb -0.11 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 2k4w s LEU 9 CO 0.04 -0.64 -0.05 0.68 0.23 0.00 0.00 176.35 176.61 2k4w s VAL 10 N -0.60 0.33 -0.46 -1.59 -7.23 -0.92 -1.31 120.40 108.62 2k4w s VAL 10 Ca 0.54 -0.54 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 2k4w s VAL 10 Cb -0.41 -0.35 0.23 0.00 0.56 0.00 0.00 36.38 36.41 2k4w s VAL 10 CO 0.49 -0.14 0.93 1.07 -0.31 0.00 0.00 175.10 177.14 2k4w n THR 11 N 2.33 0.00 0.00 5.32 5.66 -1.23 -4.69 114.28 121.67 2k4w n THR 11 Ca -0.17 -1.18 0.00 0.00 -3.05 0.00 0.00 64.05 59.64 2k4w n THR 11 Cb 0.57 1.28 0.00 0.00 -1.55 0.00 0.00 70.33 70.63 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w n ALA 12 N 1.94 0.00 0.06 1.79 0.00 -1.26 -4.47 120.51 118.57 2k4w n ALA 12 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2k4w n ALA 12 Cb 0.63 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.18 2k4w n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k4w h GLN 13 N 0.00 0.33 0.00 0.00 1.08 -1.96 -3.46 115.11 111.09 2k4w h GLN 13 Ca 0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2k4w h GLN 13 Cb 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2k4w h GLN 13 CO 0.00 0.83 0.00 0.41 -0.95 0.00 0.00 178.83 179.12 2k4w n GLY 14 N 0.29 0.89 3.66 3.46 0.00 -1.26 -4.81 105.19 107.42 2k4w n GLY 14 Ca -0.03 -1.90 -0.48 0.00 0.00 0.00 0.00 46.02 43.62 2k4w n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k4w n VAL 15 N 7.83 0.17 0.00 1.61 0.31 -1.26 -3.53 118.33 123.45 2k4w n VAL 15 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2k4w n VAL 15 Cb 0.00 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 2k4w n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4w n GLY 16 N 3.59 1.72 3.68 2.92 0.00 -0.43 -5.00 105.19 111.67 2k4w n GLY 16 Ca 0.19 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 2k4w n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 17 N 4.68 2.19 0.29 1.61 -2.07 -1.24 -4.77 119.66 120.35 2k4w s GLN 17 Ca 0.00 -1.70 0.07 0.00 -1.82 0.00 0.00 55.36 51.91 2k4w s GLN 17 Cb 0.00 -2.01 -0.03 0.00 -1.09 0.00 0.00 33.01 29.88 2k4w s GLN 17 CO 0.00 0.09 0.29 0.45 -1.32 0.00 0.00 175.29 174.80 2k4w s SER 18 N -3.78 5.66 0.00 12.60 0.15 -1.26 -0.59 113.70 126.48 2k4w s SER 18 Ca 0.37 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2k4w s SER 18 Cb -0.00 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2k4w s SER 18 CO 0.21 -0.19 0.14 2.30 1.20 0.00 0.00 173.24 176.90 2k4w n ILE 19 N -1.34 0.00 0.00 6.45 -6.64 -1.26 -4.98 119.36 111.58 2k4w n ILE 19 Ca -0.05 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.93 2k4w n ILE 19 Cb 0.58 0.97 0.00 0.00 -1.44 0.00 0.00 39.64 39.75 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2k4w n GLY 20 N 0.00 2.13 4.00 3.28 0.00 -1.26 -3.02 105.19 110.32 2k4w n GLY 20 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 2k4w n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 21 N -0.43 0.00 -4.38 2.61 -2.24 -1.26 -3.15 114.28 105.43 2k4w n THR 21 Ca 0.00 -1.95 -0.21 0.00 -2.27 0.00 0.00 64.05 59.62 2k4w n THR 21 Cb 0.00 -0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 67.54 2k4w n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k4w s VAL 22 N -2.72 0.78 -0.18 2.28 1.01 -0.04 -3.60 120.40 117.94 2k4w s VAL 22 Ca 0.63 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 2k4w s VAL 22 Cb -0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 2k4w s VAL 22 CO 0.40 0.25 0.96 0.54 0.00 0.00 0.00 175.10 177.25 2k4w s VAL 23 N 0.33 4.78 -0.14 2.92 0.11 -1.04 -0.56 120.40 126.79 2k4w s VAL 23 Ca -0.05 1.89 -0.04 0.00 -2.93 0.00 0.00 61.98 60.85 2k4w s VAL 23 Cb -0.10 -4.25 -0.03 0.00 -1.53 0.00 0.00 36.38 30.47 2k4w s VAL 23 CO 0.01 -0.06 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.08 2k4w s ILE 24 N 2.52 4.19 -0.03 7.04 1.09 -0.39 -1.42 121.20 134.19 2k4w s ILE 24 Ca 0.43 -0.27 -0.01 0.00 -1.10 0.00 0.00 60.65 59.70 2k4w s ILE 24 Cb -0.16 -2.82 0.03 0.00 -1.06 0.00 0.00 42.46 38.45 2k4w s ILE 24 CO 0.11 0.52 0.05 -0.62 -0.10 0.00 0.00 174.94 174.91 2k4w s ASP 25 N -0.03 0.60 -0.20 3.58 2.15 0.10 -0.17 116.67 122.69 2k4w s ASP 25 Ca 0.03 0.08 -0.09 0.00 0.43 0.00 0.00 52.55 52.99 2k4w s ASP 25 Cb -0.13 -0.08 -0.05 0.00 -0.30 0.00 0.00 42.92 42.36 2k4w s ASP 25 CO 0.02 -0.19 0.11 -1.83 -0.17 0.00 0.00 175.17 173.11 2k4w s GLU 26 N 1.64 4.08 0.17 4.34 -1.05 -0.89 -0.38 118.70 126.61 2k4w s GLU 26 Ca -0.02 -0.28 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 2k4w s GLU 26 Cb -0.12 -3.38 0.01 0.00 -0.44 0.00 0.00 34.13 30.20 2k4w s GLU 26 CO -0.03 0.23 0.26 -2.37 0.95 0.00 0.00 175.26 174.30 2k4w n THR 27 N 3.72 0.00 0.27 1.83 5.66 0.10 -3.98 114.28 121.88 2k4w n THR 27 Ca -0.16 -0.74 0.13 0.00 -3.05 0.00 0.00 64.05 60.23 2k4w n THR 27 Cb 0.52 0.50 0.79 0.00 -1.55 0.00 0.00 70.33 70.59 2k4w n THR 27 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2k4w h GLU 28 N 0.00 0.00 -0.19 1.09 4.11 -1.97 0.82 114.58 118.44 2k4w h GLU 28 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2k4w h GLU 28 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k4w h GLU 28 CO 0.18 0.08 0.00 0.41 0.07 0.00 0.00 179.01 179.75 2k4w n GLY 29 N -0.91 -0.13 7.00 1.06 0.00 -1.26 -4.99 105.19 105.97 2k4w n GLY 29 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 0.80 0.54 3.56 -0.02 0.00 0.28 -2.24 105.19 108.10 2k4w n GLY 30 Ca 0.06 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2k4w n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4w s LEU 31 N 0.00 3.36 0.11 0.99 1.43 -0.76 -0.72 118.68 123.09 2k4w s LEU 31 Ca 0.00 -1.02 -0.31 0.00 -1.03 0.00 0.00 54.13 51.78 2k4w s LEU 31 Cb 0.00 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.59 2k4w s LEU 31 CO 0.00 -1.73 1.24 -0.75 0.23 0.00 0.00 176.35 175.33 2k4w s LYS 32 N 5.44 4.43 -0.26 1.70 2.20 0.48 -0.93 119.74 132.80 2k4w s LYS 32 Ca 0.45 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 2k4w s LYS 32 Cb -0.03 -3.29 0.07 0.00 -1.51 0.00 0.00 37.83 33.07 2k4w s LYS 32 CO -0.00 -0.24 0.01 0.12 -0.36 0.00 0.00 175.35 174.87 2k4w s PHE 33 N 0.72 2.17 -0.40 4.03 5.36 0.47 -0.72 117.98 129.59 2k4w s PHE 33 Ca 0.58 -1.74 -0.10 0.00 -0.96 0.00 0.00 56.93 54.71 2k4w s PHE 33 Cb -0.32 -1.66 0.06 0.00 -0.34 0.00 0.00 43.02 40.75 2k4w s PHE 33 CO 0.32 -0.79 0.24 0.99 -1.46 0.00 0.00 175.22 174.52 2k4w s THR 34 N 1.47 4.42 0.57 0.12 2.01 -0.51 -1.67 115.64 122.06 2k4w s THR 34 Ca 0.00 -1.16 -0.15 0.00 0.31 0.00 0.00 61.69 60.70 2k4w s THR 34 Cb -0.18 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 2k4w s THR 34 CO -0.11 -0.40 1.02 -2.16 -0.69 0.00 0.00 174.62 172.28 2k4w s PRO 35 N 1.49 3.62 -0.31 4.92 0.04 -1.26 -2.51 135.00 140.99 2k4w s PRO 35 Ca 0.02 0.98 0.15 0.00 0.04 0.00 0.00 61.00 62.19 2k4w s PRO 35 Cb -0.22 -2.08 0.42 0.00 0.04 0.00 0.00 34.50 32.66 2k4w s PRO 35 CO 0.04 -0.55 1.43 -2.39 0.04 0.00 0.00 177.00 175.57 2k4w n HIS 36 N -2.07 -1.20 -3.67 0.56 1.44 -1.13 -4.06 115.22 105.08 2k4w n HIS 36 Ca 0.07 -1.78 -0.31 0.00 -2.01 0.00 0.00 57.72 53.69 2k4w n HIS 36 Cb 0.54 1.09 -0.05 0.00 0.12 0.00 0.00 29.99 31.69 2k4w n HIS 36 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k4w s LEU 37 N -3.91 4.27 0.17 2.39 1.02 -1.15 -4.50 118.68 116.97 2k4w s LEU 37 Ca 0.13 0.59 0.03 0.00 0.02 0.00 0.00 54.13 54.90 2k4w s LEU 37 Cb 0.41 -3.31 -0.05 0.00 0.02 0.00 0.00 46.19 43.26 2k4w s LEU 37 CO -0.11 0.05 -0.05 -1.59 0.02 0.00 0.00 176.35 174.67 2k4w s LYS 38 N -2.66 1.12 0.00 1.70 0.00 -1.17 -0.58 119.74 118.15 2k4w s LYS 38 Ca 0.41 -1.52 0.00 0.00 0.00 0.00 0.00 55.97 54.86 2k4w s LYS 38 Cb -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 37.83 37.20 2k4w s LYS 38 CO 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 175.35 175.58 2k4w n ALA 39 N -0.25 0.00 -2.43 0.59 0.00 0.38 -4.73 120.51 114.07 2k4w n ALA 39 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 2k4w n ALA 39 Cb 0.62 -0.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k4w s LEU 40 N 0.00 2.38 0.32 0.00 2.34 -0.90 -5.06 118.68 117.76 2k4w s LEU 40 Ca 0.00 -0.81 -0.27 0.00 0.06 0.00 0.00 54.13 53.11 2k4w s LEU 40 Cb 0.00 -1.11 -0.09 0.00 -0.56 0.00 0.00 46.19 44.42 2k4w s LEU 40 CO 0.00 0.11 1.04 -2.16 -1.06 0.00 0.00 176.35 174.29 2k4w s PRO 41 N -2.40 4.49 -0.02 1.48 0.04 -1.26 -4.13 135.00 133.19 2k4w s PRO 41 Ca 0.16 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2k4w s PRO 41 Cb -0.09 -2.92 0.03 0.00 0.04 0.00 0.00 34.50 31.57 2k4w s PRO 41 CO 0.08 0.13 1.17 -0.35 0.04 0.00 0.00 177.00 178.06 2k4w n PRO 42 N 0.69 1.06 0.00 0.56 -0.04 -1.26 -4.55 135.00 131.47 2k4w n PRO 42 Ca 0.01 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k4w n PRO 42 Cb 0.47 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2k4w n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4w n GLY 43 N 0.55 0.71 3.35 0.55 0.00 -1.25 -4.33 105.19 104.76 2k4w n GLY 43 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2k4w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4w s GLU 44 N 3.80 1.65 -0.03 1.61 8.01 -1.26 -1.21 118.70 131.27 2k4w s GLU 44 Ca 0.00 -1.16 -0.01 0.00 0.01 0.00 0.00 54.97 53.81 2k4w s GLU 44 Cb 0.00 -1.91 0.03 0.00 -4.31 0.00 0.00 34.13 27.94 2k4w s GLU 44 CO 0.00 0.48 0.04 -1.01 0.01 0.00 0.00 175.26 174.78 2k4w s HIS 45 N -0.88 0.06 0.59 1.61 3.76 0.31 -3.38 115.29 117.35 2k4w s HIS 45 Ca 0.12 0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 55.03 2k4w s HIS 45 Cb -0.10 -0.36 -0.07 0.00 1.11 0.00 0.00 32.58 33.16 2k4w s HIS 45 CO 0.03 -0.14 0.76 0.41 -0.85 0.00 0.00 174.74 174.95 2k4w n GLY 46 N 4.73 -0.86 2.84 -2.22 0.00 0.09 0.16 105.19 109.93 2k4w n GLY 46 Ca -0.16 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 2k4w n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4w s PHE 47 N -1.61 0.56 0.27 1.61 5.36 -1.26 -0.96 117.98 121.95 2k4w s PHE 47 Ca 0.73 -0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.62 2k4w s PHE 47 Cb -0.43 -0.59 -0.06 0.00 -0.34 0.00 0.00 43.02 41.60 2k4w s PHE 47 CO 0.50 -0.20 0.03 -1.01 -1.46 0.00 0.00 175.22 173.09 2k4w s HIS 48 N 1.19 1.74 -0.00 10.12 3.76 -0.37 -3.35 115.29 128.39 2k4w s HIS 48 Ca -0.07 -0.96 -0.02 0.00 -0.15 0.00 0.00 55.06 53.86 2k4w s HIS 48 Cb -0.14 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.45 2k4w s HIS 48 CO -0.02 -0.04 0.16 0.42 -0.85 0.00 0.00 174.74 174.41 2k4w s ILE 49 N -3.39 5.27 0.18 0.60 1.01 -0.48 -1.03 121.20 123.37 2k4w s ILE 49 Ca 0.33 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.83 2k4w s ILE 49 Cb 0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2k4w s ILE 49 CO 0.12 0.31 -0.19 -1.00 0.00 0.00 0.00 174.94 174.18 2k4w s HIS 50 N -1.32 1.91 0.15 3.97 3.76 -0.62 -2.02 115.29 121.14 2k4w s HIS 50 Ca 0.27 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.66 2k4w s HIS 50 Cb -0.13 -0.94 -0.01 0.00 1.11 0.00 0.00 32.58 32.62 2k4w s HIS 50 CO 0.19 0.38 1.43 0.00 -0.85 0.00 0.00 174.74 175.89 2k4w h ALA 51 N 3.13 0.54 -5.28 -1.40 0.00 -0.27 -3.37 119.26 112.61 2k4w h ALA 51 Ca -0.42 -0.54 -0.61 0.00 0.00 0.00 0.00 54.91 53.33 2k4w h ALA 51 Cb 1.21 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2k4w h ALA 51 CO 0.52 0.69 -0.40 0.09 0.00 0.00 0.00 179.25 180.15 2k4w n ASN 52 N -3.95 3.15 -2.60 0.00 3.02 -0.03 -4.82 115.26 110.02 2k4w n ASN 52 Ca -0.04 -3.05 -0.20 0.00 -0.03 0.00 0.00 54.58 51.25 2k4w n ASN 52 Cb 0.65 0.22 0.01 0.00 -0.61 0.00 0.00 39.78 40.05 2k4w n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k4w n GLY 53 N -1.06 4.28 3.33 7.41 0.00 -0.98 -2.18 105.19 115.98 2k4w n GLY 53 Ca -0.14 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.59 2k4w n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k4w s SER 54 N -3.34 -0.46 0.00 1.61 0.15 -0.77 -4.77 113.70 106.11 2k4w s SER 54 Ca 0.40 1.05 0.14 0.00 0.70 0.00 0.00 55.95 58.24 2k4w s SER 54 Cb 0.41 1.25 0.75 0.00 -1.71 0.00 0.00 66.02 66.72 2k4w s SER 54 CO -0.10 -0.22 1.30 0.00 1.20 0.00 0.00 173.24 175.42 2k4w s GLN 56 N -2.29 4.50 0.31 0.00 2.00 -1.26 -4.30 119.66 118.63 2k4w s GLN 56 Ca 0.17 1.08 0.03 0.00 -2.00 0.00 0.00 55.36 54.63 2k4w s GLN 56 Cb 0.09 -3.32 -0.03 0.00 0.80 0.00 0.00 33.01 30.55 2k4w s GLN 56 CO 0.18 0.40 0.48 -1.25 -0.50 0.00 0.00 175.29 174.60 2k4w s PRO 57 N -0.47 3.40 0.54 1.67 0.04 -1.26 -0.92 135.00 138.00 2k4w s PRO 57 Ca 0.37 -0.57 0.08 0.00 0.04 0.00 0.00 61.00 60.93 2k4w s PRO 57 Cb -0.21 -2.75 0.06 0.00 0.04 0.00 0.00 34.50 31.63 2k4w s PRO 57 CO 0.24 0.21 0.62 0.00 0.04 0.00 0.00 177.00 178.11 2k4w s ALA 58 N -2.20 4.56 -0.18 8.56 0.00 -1.26 -4.89 121.76 126.35 2k4w s ALA 58 Ca 0.39 -1.81 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 2k4w s ALA 58 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2k4w s ALA 58 CO 0.33 -0.64 -0.07 0.42 0.00 0.00 0.00 175.76 175.80 2k4w s ILE 59 N -2.66 3.34 0.52 0.00 -1.09 -1.26 -0.34 121.20 119.70 2k4w s ILE 59 Ca 0.51 -0.53 0.07 0.00 -2.23 0.00 0.00 60.65 58.47 2k4w s ILE 59 Cb -0.05 -2.47 0.07 0.00 -1.58 0.00 0.00 42.46 38.43 2k4w s ILE 59 CO 0.32 0.47 0.57 0.29 -1.23 0.00 0.00 174.94 175.36 2k4w n LYS 60 N 4.18 0.69 -1.50 2.79 5.02 0.07 -4.97 118.16 124.44 2k4w n LYS 60 Ca -0.18 -2.99 -0.44 0.00 -2.02 0.00 0.00 58.31 52.68 2k4w n LYS 60 Cb 0.52 0.04 -0.07 0.00 -0.02 0.00 0.00 35.03 35.49 2k4w n LYS 60 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k4w n ASP 61 N -2.14 1.92 -0.77 4.39 2.03 -1.26 -1.24 116.55 119.48 2k4w n ASP 61 Ca 0.07 0.06 -0.10 0.00 0.52 0.00 0.00 54.79 55.34 2k4w n ASP 61 Cb 0.56 -1.32 -0.04 0.00 -0.72 0.00 0.00 41.12 39.60 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 62 N 6.32 1.12 3.56 0.27 0.00 -1.26 -4.99 105.19 110.21 2k4w n GLY 62 Ca 0.44 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2k4w n GLY 62 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 63 N -2.69 0.70 -0.01 1.61 -2.07 -0.37 -5.15 119.66 111.68 2k4w s GLN 63 Ca 0.00 1.03 -0.28 0.00 -1.82 0.00 0.00 55.36 54.29 2k4w s GLN 63 Cb 0.00 0.22 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 2k4w s GLN 63 CO 0.00 -0.12 0.91 0.00 -1.32 0.00 0.00 175.29 174.76 2k4w s ALA 64 N 1.03 3.21 -0.06 2.60 0.00 -1.26 -0.75 121.76 126.53 2k4w s ALA 64 Ca -0.05 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 2k4w s ALA 64 Cb -0.05 -3.24 -0.22 0.00 0.00 0.00 0.00 23.12 19.60 2k4w s ALA 64 CO -0.10 -0.18 3.50 0.28 0.00 0.00 0.00 175.76 179.26 2k4w n VAL 65 N 3.79 3.03 0.00 0.00 0.31 0.53 -4.86 118.33 121.13 2k4w n VAL 65 Ca 0.04 -1.68 0.00 0.00 -0.01 0.00 0.00 64.34 62.69 2k4w n VAL 65 Cb 0.51 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4w n ALA 66 N 2.28 0.00 0.00 3.52 0.00 -1.26 -2.85 120.51 122.20 2k4w n ALA 66 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2k4w n ALA 66 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 67 N 0.00 0.00 -0.09 0.00 0.00 -1.26 -4.21 120.51 114.96 2k4w n ALA 67 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2k4w n ALA 67 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2k4w n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4w h GLU 68 N 0.00 0.00 -0.27 0.00 4.81 -0.88 -3.34 114.58 114.91 2k4w h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k4w h GLU 68 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k4w h GLU 68 CO 0.00 0.95 0.00 0.00 -0.73 0.00 0.00 179.01 179.23 2k4w n ALA 69 N -3.02 1.91 0.56 2.92 0.00 -1.01 -1.45 120.51 120.42 2k4w n ALA 69 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.36 2k4w n ALA 69 Cb 0.56 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 19.17 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w h ALA 70 N 1.79 0.57 0.00 0.00 0.00 -1.46 -2.02 119.26 118.14 2k4w h ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 70 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k4w h ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2k4w n GLY 71 N 1.33 0.41 7.00 0.00 0.00 -0.53 -0.85 105.19 112.56 2k4w n GLY 71 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2k4w n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 72 N -2.21 -1.73 3.74 -0.02 0.00 -1.26 -4.44 105.19 99.27 2k4w n GLY 72 Ca 0.00 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 2k4w n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 73 N 0.00 2.19 -0.32 1.61 3.76 -1.26 -1.28 115.29 119.99 2k4w s HIS 73 Ca 0.00 1.49 -0.28 0.00 -0.15 0.00 0.00 55.06 56.12 2k4w s HIS 73 Cb 0.00 -3.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.04 2k4w s HIS 73 CO 0.00 -2.69 1.79 -1.17 -0.85 0.00 0.00 174.74 171.82 2k4w s LEU 74 N -4.23 3.52 -0.18 0.89 2.96 -0.85 -4.04 118.68 116.75 2k4w s LEU 74 Ca 0.81 1.33 -0.35 0.00 -0.22 0.00 0.00 54.13 55.70 2k4w s LEU 74 Cb -0.35 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 42.95 2k4w s LEU 74 CO 0.38 -1.68 1.19 1.51 -1.32 0.00 0.00 176.35 176.43 2k4w s ASP 75 N 5.98 -0.15 0.17 3.68 -4.77 -1.26 -1.32 116.67 119.00 2k4w s ASP 75 Ca 0.80 0.00 0.23 0.00 -3.30 0.00 0.00 52.55 50.28 2k4w s ASP 75 Cb -0.23 0.16 0.07 0.00 -1.09 0.00 0.00 42.92 41.82 2k4w s ASP 75 CO 0.34 -0.25 1.09 -0.81 0.70 0.00 0.00 175.17 176.24 2k4w n PRO 76 N -0.09 0.52 0.00 2.11 -0.04 -1.26 -4.85 135.00 131.39 2k4w n PRO 76 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2k4w n PRO 76 Cb 0.58 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2k4w n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4w n GLN 77 N -2.51 0.00 -0.04 0.54 10.64 -1.26 -5.10 117.38 119.65 2k4w n GLN 77 Ca 0.01 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 2k4w n GLN 77 Cb 0.52 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.87 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2k4w h ASN 78 N 0.00 0.12 0.00 2.61 2.35 -1.88 -3.48 115.58 115.30 2k4w h ASN 78 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2k4w h ASN 78 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2k4w h ASN 78 CO 0.00 0.10 0.00 1.07 -1.65 0.00 0.00 177.43 176.95 2k4w n THR 79 N -5.02 0.00 0.56 2.81 5.66 -1.26 -5.01 114.28 112.02 2k4w n THR 79 Ca -0.03 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.10 2k4w n THR 79 Cb 0.06 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.21 2k4w n THR 79 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2k4w h GLY 80 N 0.00 0.00 -2.93 1.09 0.00 -1.97 -3.47 103.07 95.80 2k4w h GLY 80 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2k4w h GLY 80 CO 0.00 0.00 0.56 0.54 0.00 0.00 0.00 176.54 177.64 2k4w s LYS 81 N -3.12 3.63 0.03 4.80 -0.14 -1.26 -5.02 119.74 118.65 2k4w s LYS 81 Ca 0.10 2.02 0.07 0.00 -1.36 0.00 0.00 55.97 56.80 2k4w s LYS 81 Cb 0.11 -2.46 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 2k4w s LYS 81 CO 0.61 -0.73 -0.21 -1.58 -0.76 0.00 0.00 175.35 172.68 2k4w s HIS 82 N -1.40 2.48 -0.21 3.18 5.65 -1.26 -4.31 115.29 119.43 2k4w s HIS 82 Ca 0.64 -0.31 -0.29 0.00 0.25 0.00 0.00 55.06 55.35 2k4w s HIS 82 Cb -0.35 -1.46 -0.01 0.00 -1.18 0.00 0.00 32.58 29.58 2k4w s HIS 82 CO 0.42 0.18 1.37 -2.00 -0.65 0.00 0.00 174.74 174.06 2k4w s GLU 83 N -1.23 4.05 0.62 2.88 2.12 -1.23 -4.37 118.70 121.55 2k4w s GLU 83 Ca 0.13 1.58 -0.01 0.00 0.36 0.00 0.00 54.97 57.03 2k4w s GLU 83 Cb -0.10 -3.87 0.06 0.00 0.26 0.00 0.00 34.13 30.48 2k4w s GLU 83 CO 0.03 -0.95 0.88 0.20 -0.54 0.00 0.00 175.26 174.88 2k4w s GLY 84 N 2.74 1.78 0.00 -1.50 0.00 -1.26 -4.57 107.32 104.51 2k4w s GLY 84 Ca 0.60 -1.31 0.10 0.00 0.00 0.00 0.00 44.72 44.11 2k4w s GLY 84 CO 0.21 -0.94 1.16 -1.55 0.00 0.00 0.00 173.10 171.98 2k4w n PRO 85 N -2.58 0.22 -0.94 2.90 -0.04 -1.26 -2.11 135.00 131.18 2k4w n PRO 85 Ca 0.09 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 2k4w n PRO 85 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 2k4w n PRO 85 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k4w n GLU 86 N -1.17 0.00 0.00 0.54 0.28 -1.26 -5.13 120.64 113.90 2k4w n GLU 86 Ca 0.06 -0.89 0.00 0.00 -0.16 0.00 0.00 57.16 56.17 2k4w n GLU 86 Cb 0.06 0.46 0.00 0.00 1.43 0.00 0.00 31.44 33.39 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 87 N 0.00 4.17 3.31 -1.84 0.00 -0.90 -5.18 105.19 104.74 2k4w n GLY 87 Ca -0.25 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2k4w n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4w s GLN 88 N 4.73 0.71 0.00 1.61 2.00 -1.26 -4.72 119.66 122.72 2k4w s GLN 88 Ca 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 55.36 53.40 2k4w s GLN 88 Cb 0.00 0.32 0.00 0.00 0.80 0.00 0.00 33.01 34.13 2k4w s GLN 88 CO 0.00 -0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.01 2k4w n GLY 89 N 1.51 -1.52 2.93 2.59 0.00 -1.26 -3.55 105.19 105.89 2k4w n GLY 89 Ca -0.20 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 2k4w n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 90 N 0.16 0.66 0.29 1.61 3.76 -1.26 -4.75 115.29 115.76 2k4w s HIS 90 Ca 0.00 -0.15 0.33 0.00 -0.15 0.00 0.00 55.06 55.09 2k4w s HIS 90 Cb 0.00 -0.53 1.55 0.00 1.11 0.00 0.00 32.58 34.71 2k4w s HIS 90 CO 0.00 -0.11 2.06 1.37 -0.85 0.00 0.00 174.74 177.22 2k4w h LEU 91 N 6.65 0.00 0.00 0.89 8.10 -1.82 -1.61 115.31 127.52 2k4w h LEU 91 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.64 2k4w h LEU 91 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.39 2k4w h LEU 91 CO 0.49 0.06 0.00 0.61 -4.11 0.00 0.00 178.44 175.48 2k4w n GLY 92 N -0.34 -0.97 3.73 0.17 0.00 -0.44 -4.79 105.19 102.55 2k4w n GLY 92 Ca -0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2k4w n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 93 N -2.26 7.06 0.14 1.61 1.01 -0.61 -1.38 116.67 122.24 2k4w s ASP 93 Ca 0.33 2.20 -0.08 0.00 0.71 0.00 0.00 52.55 55.70 2k4w s ASP 93 Cb 0.18 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 2k4w s ASP 93 CO 0.34 -0.42 0.25 -0.76 0.21 0.00 0.00 175.17 174.79 2k4w s LEU 94 N 0.14 1.13 0.40 1.23 1.02 -1.21 -4.99 118.68 116.41 2k4w s LEU 94 Ca 0.55 -0.84 -0.24 0.00 0.02 0.00 0.00 54.13 53.62 2k4w s LEU 94 Cb -0.32 1.09 -0.09 0.00 0.02 0.00 0.00 46.19 46.89 2k4w s LEU 94 CO 0.35 -0.84 1.07 -2.16 0.02 0.00 0.00 176.35 174.79 2k4w s PRO 95 N -3.95 4.12 0.08 1.29 0.04 -1.26 -4.47 135.00 130.86 2k4w s PRO 95 Ca 0.14 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 2k4w s PRO 95 Cb 0.04 -2.55 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 2k4w s PRO 95 CO -0.03 -0.19 1.23 0.08 0.04 0.00 0.00 177.00 178.14 2k4w s VAL 96 N -1.62 3.87 -0.13 -0.36 1.01 -1.26 -4.20 120.40 117.71 2k4w s VAL 96 Ca 0.58 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.66 2k4w s VAL 96 Cb -0.23 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2k4w s VAL 96 CO 0.29 0.11 0.84 -0.22 0.00 0.00 0.00 175.10 176.13 2k4w s LEU 97 N 0.98 4.22 -0.06 3.92 0.20 0.12 -4.85 118.68 123.21 2k4w s LEU 97 Ca 0.59 1.25 -0.10 0.00 0.69 0.00 0.00 54.13 56.57 2k4w s LEU 97 Cb -0.31 -3.27 -0.05 0.00 -0.43 0.00 0.00 46.19 42.13 2k4w s LEU 97 CO 0.30 -0.35 0.26 -0.69 -0.29 0.00 0.00 176.35 175.58 2k4w s VAL 98 N 1.84 5.30 -0.00 1.68 1.01 -1.26 -0.53 120.40 128.43 2k4w s VAL 98 Ca 0.40 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.90 2k4w s VAL 98 Cb -0.17 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2k4w s VAL 98 CO 0.15 0.59 -0.13 -0.69 0.00 0.00 0.00 175.10 175.02 2k4w s VAL 99 N -1.06 1.03 0.20 2.92 1.01 -0.35 -4.15 120.40 120.00 2k4w s VAL 99 Ca 0.19 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2k4w s VAL 99 Cb -0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2k4w s VAL 99 CO 0.08 0.23 0.23 0.54 0.00 0.00 0.00 175.10 176.19 2k4w s ASN 100 N -0.46 5.84 -0.01 3.32 4.22 0.60 -3.90 114.94 124.55 2k4w s ASN 100 Ca 0.04 -0.07 -0.04 0.00 -2.14 0.00 0.00 52.86 50.65 2k4w s ASN 100 Cb -0.05 -1.61 -0.20 0.00 1.28 0.00 0.00 41.25 40.67 2k4w s ASN 100 CO -0.00 0.00 2.80 -0.46 -2.04 0.00 0.00 177.10 177.41 2k4w n ASN 101 N -0.86 3.88 0.00 3.54 6.94 -1.26 -1.03 115.26 126.48 2k4w n ASN 101 Ca -0.08 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.26 2k4w n ASN 101 Cb 0.56 -1.05 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k4w n ASP 102 N 2.64 0.67 0.00 0.53 2.03 -1.26 -5.03 116.55 116.13 2k4w n ASP 102 Ca 0.32 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.54 2k4w n ASP 102 Cb 0.67 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2k4w n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 103 N -0.04 1.29 3.18 0.27 0.00 -0.20 -4.85 105.19 104.84 2k4w n GLY 103 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 2k4w n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k4w s ILE 104 N -2.00 1.51 -0.19 -0.61 1.01 -1.11 -0.47 121.20 119.34 2k4w s ILE 104 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 2k4w s ILE 104 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 2k4w s ILE 104 CO 0.00 0.43 0.03 0.00 0.00 0.00 0.00 174.94 175.40 2k4w s ALA 105 N -0.30 3.21 0.00 9.38 0.00 0.25 -0.29 121.76 134.00 2k4w s ALA 105 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2k4w s ALA 105 Cb -0.09 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2k4w s ALA 105 CO 0.00 0.04 0.25 -2.37 0.00 0.00 0.00 175.76 173.69 2k4w n THR 106 N 3.84 0.00 -3.80 0.00 5.66 -1.26 -2.86 114.28 115.87 2k4w n THR 106 Ca -0.17 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 2k4w n THR 106 Cb 0.52 0.59 -0.08 0.00 -1.55 0.00 0.00 70.33 69.81 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 4.09 0.26 1.09 0.41 -1.26 -4.81 118.70 118.48 2k4w s GLU 107 Ca 0.00 -0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 54.03 2k4w s GLU 107 Cb 0.00 -3.36 -0.09 0.00 -1.78 0.00 0.00 34.13 28.90 2k4w s GLU 107 CO 0.00 0.33 0.99 -1.25 -0.49 0.00 0.00 175.26 174.84 2k4w s PRO 108 N 0.25 4.75 0.18 0.39 0.04 -1.26 -4.40 135.00 134.95 2k4w s PRO 108 Ca 0.08 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.74 2k4w s PRO 108 Cb -0.11 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 2k4w s PRO 108 CO -0.01 0.39 -0.11 0.14 0.04 0.00 0.00 177.00 177.45 2k4w s VAL 109 N -1.23 1.37 -0.08 -0.36 -7.23 -0.67 -5.00 120.40 107.21 2k4w s VAL 109 Ca 0.43 -2.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 2k4w s VAL 109 Cb -0.27 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 34.73 2k4w s VAL 109 CO 0.34 -0.64 0.18 -0.89 -0.31 0.00 0.00 175.10 173.78 2k4w s THR 110 N -3.20 -0.03 -0.51 5.32 2.01 -1.26 -0.40 115.64 117.57 2k4w s THR 110 Ca 0.20 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 2k4w s THR 110 Cb 0.02 -0.28 0.13 0.00 0.01 0.00 0.00 72.50 72.38 2k4w s THR 110 CO 0.04 0.05 0.34 0.00 -0.69 0.00 0.00 174.62 174.36 2k4w s ALA 111 N 0.93 3.40 -1.75 7.40 0.00 -0.11 -4.86 121.76 126.77 2k4w s ALA 111 Ca -0.07 -2.75 0.27 0.00 0.00 0.00 0.00 51.96 49.41 2k4w s ALA 111 Cb -0.09 -2.69 1.48 0.00 0.00 0.00 0.00 23.12 21.82 2k4w s ALA 111 CO -0.05 -1.94 1.93 -0.35 0.00 0.00 0.00 175.76 175.34 2k4w n PRO 112 N 4.42 0.64 0.00 0.00 -0.04 -0.95 -1.82 135.00 137.24 2k4w n PRO 112 Ca -0.01 0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2k4w n PRO 112 Cb 0.41 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.90 2k4w n PRO 112 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2k4w n ARG 113 N -1.13 1.17 -4.34 0.54 1.85 -1.26 -4.64 116.66 108.84 2k4w n ARG 113 Ca 0.17 -0.59 -0.26 0.00 -1.00 0.00 0.00 57.85 56.16 2k4w n ARG 113 Cb 0.14 -1.49 -0.09 0.00 -1.05 0.00 0.00 32.46 29.98 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2k4w s LEU 114 N -2.24 3.01 0.00 2.89 2.01 -1.21 -5.08 118.68 118.06 2k4w s LEU 114 Ca 0.33 -1.20 0.00 0.00 0.01 0.00 0.00 54.13 53.27 2k4w s LEU 114 Cb 0.20 -1.21 0.00 0.00 0.01 0.00 0.00 46.19 45.19 2k4w s LEU 114 CO 0.42 -0.49 0.11 1.17 1.01 0.00 0.00 176.35 178.57 2k4w n LYS 115 N -1.11 0.00 -3.81 1.70 4.81 -1.26 -4.04 118.16 114.45 2k4w n LYS 115 Ca -0.03 -0.11 -0.08 0.00 -0.87 0.00 0.00 58.31 57.22 2k4w n LYS 115 Cb 0.65 -0.18 -0.03 0.00 0.02 0.00 0.00 35.03 35.49 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2k4w s SER 116 N 0.00 -0.27 0.56 3.14 0.01 -1.26 -4.57 113.70 111.30 2k4w s SER 116 Ca 0.00 -0.56 0.34 0.00 1.31 0.00 0.00 55.95 57.04 2k4w s SER 116 Cb 0.00 0.67 1.41 0.00 0.21 0.00 0.00 66.02 68.31 2k4w s SER 116 CO 0.00 -1.23 2.00 -0.07 0.41 0.00 0.00 173.24 174.35 2k4w h LEU 117 N 2.07 0.00 -1.30 2.44 -0.00 -1.98 -3.36 115.31 113.18 2k4w h LEU 117 Ca -0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.63 2k4w h LEU 117 Cb 1.26 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.89 2k4w h LEU 117 CO 0.29 0.00 0.26 -0.78 -0.00 0.00 0.00 178.44 178.22 2k4w h ASP 118 N 0.00 0.67 0.56 -0.43 3.58 -2.01 -0.03 116.42 118.76 2k4w h ASP 118 Ca -0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2k4w h ASP 118 Cb 0.49 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2k4w h ASP 118 CO 0.00 0.56 0.00 -1.84 -2.88 0.00 0.00 179.24 175.08 2k4w n GLU 119 N -4.38 0.12 -0.14 0.28 0.00 -1.26 -3.68 120.64 111.59 2k4w n GLU 119 Ca 0.05 0.40 0.06 0.00 0.00 0.00 0.00 57.16 57.66 2k4w n GLU 119 Cb 0.12 -1.76 0.08 0.00 0.00 0.00 0.00 31.44 29.88 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2k4w n VAL 120 N -1.99 1.24 0.38 3.84 0.24 -0.06 -4.86 118.33 117.11 2k4w n VAL 120 Ca 0.02 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.86 2k4w n VAL 120 Cb 0.18 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 2k4w n VAL 120 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2k4w n LYS 121 N -0.90 0.37 -0.66 7.34 2.85 -0.98 -2.49 118.16 123.68 2k4w n LYS 121 Ca 0.09 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.32 2k4w n LYS 121 Cb 0.57 -1.18 -0.03 0.00 -0.65 0.00 0.00 35.03 33.74 2k4w n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k4w n ASP 122 N 0.31 -0.44 -4.27 -5.58 2.03 -1.26 -5.07 116.55 102.26 2k4w n ASP 122 Ca 0.00 -1.14 -0.17 0.00 0.52 0.00 0.00 54.79 54.00 2k4w n ASP 122 Cb 0.09 0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.52 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k4w s LYS 123 N 0.00 1.44 0.23 -0.67 1.02 -1.04 -2.33 119.74 118.39 2k4w s LYS 123 Ca 0.00 -1.79 0.10 0.00 0.02 0.00 0.00 55.97 54.31 2k4w s LYS 123 Cb 0.00 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 2k4w s LYS 123 CO 0.00 -0.32 -0.13 0.00 -0.92 0.00 0.00 175.35 173.99 2k4w s ALA 124 N -3.74 2.87 -0.11 5.17 0.00 -0.93 -1.36 121.76 123.67 2k4w s ALA 124 Ca 0.37 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 2k4w s ALA 124 Cb 0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2k4w s ALA 124 CO 0.14 0.37 -0.05 -0.51 0.00 0.00 0.00 175.76 175.71 2k4w s LEU 125 N -3.17 3.26 -0.03 0.00 1.43 -0.12 -1.58 118.68 118.46 2k4w s LEU 125 Ca 0.27 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 2k4w s LEU 125 Cb -0.07 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 2k4w s LEU 125 CO 0.15 0.27 -0.24 -0.04 0.23 0.00 0.00 176.35 176.72 2k4w s MET 126 N -0.25 2.16 -0.12 1.70 -1.94 -0.19 -1.55 119.30 119.10 2k4w s MET 126 Ca 0.04 -0.87 -0.02 0.00 -1.71 0.00 0.00 55.69 53.14 2k4w s MET 126 Cb -0.13 -1.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 2k4w s MET 126 CO 0.02 0.46 -0.06 0.42 -0.01 0.00 0.00 175.02 175.85 2k4w s ILE 127 N -0.40 3.70 -0.04 2.53 1.01 -0.09 -1.24 121.20 126.66 2k4w s ILE 127 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2k4w s ILE 127 Cb -0.11 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.79 2k4w s ILE 127 CO 0.01 0.54 -0.17 -1.00 0.00 0.00 0.00 174.94 174.31 2k4w s HIS 128 N -0.05 1.68 -0.51 3.97 3.76 -0.13 -1.06 115.29 122.94 2k4w s HIS 128 Ca 0.00 -0.47 0.25 0.00 -0.15 0.00 0.00 55.06 54.69 2k4w s HIS 128 Cb -0.13 -1.13 0.94 0.00 1.11 0.00 0.00 32.58 33.36 2k4w s HIS 128 CO 0.03 -0.16 1.75 -0.24 -0.85 0.00 0.00 174.74 175.27 2k4w h VAL 129 N 5.23 0.00 -4.57 -0.90 3.04 -0.51 -2.45 116.25 116.09 2k4w h VAL 129 Ca -0.33 -0.36 -0.23 0.00 -1.01 0.00 0.00 66.70 64.77 2k4w h VAL 129 Cb 1.17 1.21 -0.15 0.00 -2.01 0.00 0.00 31.29 31.51 2k4w h VAL 129 CO 0.48 0.00 -0.62 -0.83 -1.01 0.00 0.00 177.57 175.59 2k4w s GLY 130 N -3.63 1.39 0.57 3.17 0.00 -1.26 -4.80 107.32 102.76 2k4w s GLY 130 Ca 0.06 -1.67 -0.20 0.00 0.00 0.00 0.00 44.72 42.90 2k4w s GLY 130 CO 0.48 -1.39 1.16 0.61 0.00 0.00 0.00 173.10 173.95 2k4w n GLY 131 N -0.25 0.21 0.00 0.20 0.00 -1.22 -0.73 105.19 103.40 2k4w n GLY 131 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2k4w n GLY 131 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k4w n ASP 132 N -0.88 0.09 -2.06 1.61 -0.08 -1.26 -4.77 116.55 109.20 2k4w n ASP 132 Ca 0.12 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.35 2k4w n ASP 132 Cb 0.46 0.02 -0.08 0.00 2.34 0.00 0.00 41.12 43.85 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2k4w n ASN 133 N -0.13 3.32 -4.62 1.67 6.94 -1.26 -4.13 115.26 117.05 2k4w n ASN 133 Ca 0.00 -2.06 -0.34 0.00 -0.02 0.00 0.00 54.58 52.16 2k4w n ASN 133 Cb 0.00 -0.85 -0.10 0.00 -2.36 0.00 0.00 39.78 36.47 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2k4w s MET 134 N 1.48 3.58 -0.22 -3.83 -1.94 -1.26 -4.24 119.30 112.86 2k4w s MET 134 Ca 0.31 -0.40 0.07 0.00 -1.71 0.00 0.00 55.69 53.97 2k4w s MET 134 Cb 0.15 -3.01 -0.20 0.00 2.01 0.00 0.00 34.83 33.78 2k4w s MET 134 CO 0.00 0.41 -0.07 -1.13 -0.01 0.00 0.00 175.02 174.23 2k4w n SER 135 N 3.05 1.26 -0.83 3.03 3.41 -1.26 -4.23 113.62 118.06 2k4w n SER 135 Ca -0.18 -0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.50 2k4w n SER 135 Cb 0.53 0.07 0.28 0.00 -0.26 0.00 0.00 64.21 64.83 2k4w n SER 135 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k4w n ASP 136 N -3.09 2.53 -4.83 4.04 9.92 -1.26 -4.83 116.55 119.04 2k4w n ASP 136 Ca -0.40 -1.84 -0.36 0.00 -0.53 0.00 0.00 54.79 51.67 2k4w n ASP 136 Cb 1.05 -0.11 -0.06 0.00 -0.64 0.00 0.00 41.12 41.36 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2k4w s GLN 137 N -1.78 4.10 0.15 -1.24 1.11 -1.26 -5.02 119.66 115.72 2k4w s GLN 137 Ca 0.34 0.65 -0.12 0.00 0.01 0.00 0.00 55.36 56.24 2k4w s GLN 137 Cb 0.20 -2.96 -0.00 0.00 -1.01 0.00 0.00 33.01 29.24 2k4w s GLN 137 CO 0.30 0.47 1.56 -1.00 0.01 0.00 0.00 175.29 176.63 2k4w h PRO 138 N 3.65 0.89 -6.47 2.91 0.13 -1.92 -3.37 132.00 127.82 2k4w h PRO 138 Ca -0.48 -0.34 -0.53 0.00 -0.87 0.00 0.00 66.00 63.78 2k4w h PRO 138 Cb 1.20 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2k4w h PRO 138 CO 0.65 0.98 0.22 0.15 -0.23 0.00 0.00 178.00 179.78 2k4w s LYS 139 N -4.81 4.60 0.93 0.86 1.02 -1.26 -5.06 119.74 116.01 2k4w s LYS 139 Ca -0.12 1.21 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 2k4w s LYS 139 Cb 0.11 -3.32 0.15 0.00 -0.52 0.00 0.00 37.83 34.25 2k4w s LYS 139 CO 0.84 0.39 1.10 -1.25 -0.92 0.00 0.00 175.35 175.51 2k4w s PRO 140 N -0.52 0.98 -1.20 -1.68 0.04 -1.26 -2.33 135.00 129.03 2k4w s PRO 140 Ca 0.39 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 2k4w s PRO 140 Cb -0.22 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k4w s PRO 140 CO 0.26 -2.38 0.09 1.28 0.04 0.00 0.00 177.00 176.29 2k4w n LEU 141 N -3.95 -1.80 0.00 -3.56 4.77 -1.26 -1.49 117.00 109.71 2k4w n LEU 141 Ca 0.06 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k4w n LEU 141 Cb 0.57 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.47 2k4w n LEU 141 CO 0.57 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2k4w n GLY 142 N -1.07 1.36 2.28 -0.72 0.00 -1.26 -1.88 105.19 103.90 2k4w n GLY 142 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k4w n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 143 N -2.00 3.18 0.53 -0.02 0.00 -0.55 -4.83 105.19 101.50 2k4w n GLY 143 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2k4w n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 144 N -1.85 0.17 1.97 -0.02 0.00 -1.23 -4.82 105.19 99.41 2k4w n GLY 144 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 2k4w n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 145 N 1.22 2.33 3.64 -0.02 0.00 -0.79 -4.55 105.19 107.02 2k4w n GLY 145 Ca 0.09 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2k4w n GLY 145 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k4w n THR 146 N 2.30 0.93 -2.86 2.61 -1.04 -1.26 -4.60 114.28 110.36 2k4w n THR 146 Ca 0.22 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.05 61.78 2k4w n THR 146 Cb 0.58 -1.03 -0.06 0.00 -1.82 0.00 0.00 70.33 68.00 2k4w n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4w s ARG 147 N -4.23 4.14 -0.21 -2.82 1.04 -1.26 0.19 118.95 115.79 2k4w s ARG 147 Ca 0.69 0.99 0.13 0.00 -1.04 0.00 0.00 55.73 56.49 2k4w s ARG 147 Cb -0.26 -2.24 -0.22 0.00 -2.04 0.00 0.00 34.95 30.19 2k4w s ARG 147 CO 0.56 -0.01 -0.01 2.48 -0.04 0.00 0.00 175.30 178.28 2k4w n TYR 148 N -0.68 0.00 -3.80 5.89 4.11 -0.23 -4.74 117.16 117.73 2k4w n TYR 148 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.84 2k4w n TYR 148 Cb 0.54 -0.96 -0.08 0.00 -0.00 0.00 0.00 39.34 38.83 2k4w n TYR 148 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k4w s ALA 149 N -2.48 -0.59 0.48 -3.48 0.00 -0.92 -2.16 121.76 112.62 2k4w s ALA 149 Ca -0.16 0.03 0.07 0.00 0.00 0.00 0.00 51.96 51.89 2k4w s ALA 149 Cb 0.07 0.20 0.08 0.00 0.00 0.00 0.00 23.12 23.46 2k4w s ALA 149 CO 0.74 -0.32 0.65 0.00 0.00 0.00 0.00 175.76 176.83 2k4w n GLY 151 N -0.67 -1.45 3.73 0.00 0.00 -0.60 -1.36 105.19 104.84 2k4w n GLY 151 Ca 0.13 0.96 -0.41 0.00 0.00 0.00 0.00 46.02 46.69 2k4w n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 152 N 0.00 3.30 -0.04 1.61 1.01 -1.26 -0.95 120.40 124.07 2k4w s VAL 152 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 2k4w s VAL 152 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2k4w s VAL 152 CO 0.00 0.14 0.98 -0.63 0.00 0.00 0.00 175.10 175.60 2k4w s ILE 153 N 0.28 4.84 0.00 2.22 1.01 -0.46 -4.68 121.20 124.40 2k4w s ILE 153 Ca 0.57 2.04 0.00 0.00 0.00 0.00 0.00 60.65 63.26 2k4w s ILE 153 Cb -0.36 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2k4w s ILE 153 CO 0.36 0.10 0.00 0.29 0.00 0.00 0.00 174.94 175.69