#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 0.13 -0.19 0.00 0.01 -1.26 -0.16 113.70 112.22 2k4w s SER 2 Ca 0.00 -0.35 -0.21 0.00 1.31 0.00 0.00 55.95 56.71 2k4w s SER 2 Cb 0.00 0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.44 2k4w s SER 2 CO 0.00 -0.34 0.57 -0.70 0.41 0.00 0.00 173.24 173.18 2k4w s GLU 3 N -1.43 0.70 -0.02 12.44 2.56 -0.29 -5.00 118.70 127.67 2k4w s GLU 3 Ca -0.15 0.71 -0.18 0.00 0.00 0.00 0.00 54.97 55.34 2k4w s GLU 3 Cb -0.09 0.34 -0.05 0.00 2.00 0.00 0.00 34.13 36.33 2k4w s GLU 3 CO 0.00 -0.10 0.52 -1.59 -0.56 0.00 0.00 175.26 173.53 2k4w s LYS 4 N 0.11 4.22 -0.13 4.30 -2.85 -1.26 -1.26 119.74 122.88 2k4w s LYS 4 Ca -0.01 0.59 0.02 0.00 -1.00 0.00 0.00 55.97 55.57 2k4w s LYS 4 Cb -0.04 -3.33 0.01 0.00 -2.06 0.00 0.00 37.83 32.42 2k4w s LYS 4 CO 0.02 0.42 -0.19 0.08 0.10 0.00 0.00 175.35 175.77 2k4w s VAL 5 N -0.29 1.85 -0.33 1.79 1.01 0.19 -4.89 120.40 119.74 2k4w s VAL 5 Ca 0.28 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 2k4w s VAL 5 Cb -0.17 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2k4w s VAL 5 CO 0.15 0.51 1.18 -0.83 0.00 0.00 0.00 175.10 176.11 2k4w s GLY 6 N 0.88 1.45 -0.46 4.51 0.00 -1.26 -0.67 107.32 111.77 2k4w s GLY 6 Ca -0.07 -0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 2k4w s GLY 6 CO -0.02 2.43 0.49 1.06 0.00 0.00 0.00 173.10 177.06 2k4w s MET 7 N 3.96 3.08 0.10 2.90 -1.94 -1.26 -4.29 119.30 121.85 2k4w s MET 7 Ca 0.50 -0.92 -0.09 0.00 -1.71 0.00 0.00 55.69 53.47 2k4w s MET 7 Cb -0.14 -4.05 -0.06 0.00 2.01 0.00 0.00 34.83 32.60 2k4w s MET 7 CO 0.20 -1.01 0.41 1.21 -0.01 0.00 0.00 175.02 175.83 2k4w s ASN 8 N 2.27 6.62 -1.22 3.03 3.84 -1.26 -4.68 114.94 123.55 2k4w s ASN 8 Ca 0.11 0.78 -0.11 0.00 0.21 0.00 0.00 52.86 53.86 2k4w s ASN 8 Cb -0.19 -2.17 -0.07 0.00 -0.55 0.00 0.00 41.25 38.27 2k4w s ASN 8 CO 0.12 0.13 2.40 0.18 -2.79 0.00 0.00 177.10 177.14 2k4w n LEU 9 N 0.70 6.43 -4.71 3.21 4.77 -0.53 -1.44 117.00 125.43 2k4w n LEU 9 Ca -0.06 -3.58 -0.43 0.00 -0.03 0.00 0.00 56.01 51.91 2k4w n LEU 9 Cb 0.52 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 2k4w n LEU 9 CO 0.43 1.06 1.27 1.33 -1.33 0.00 0.00 177.39 180.16 2k4w n VAL 10 N 4.35 0.37 -2.69 4.08 0.24 -1.26 -3.64 118.33 119.78 2k4w n VAL 10 Ca 0.58 -0.09 -0.07 0.00 -2.04 0.00 0.00 64.34 62.72 2k4w n VAL 10 Cb 0.24 -1.85 0.08 0.00 -1.47 0.00 0.00 33.84 30.83 2k4w n VAL 10 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2k4w n THR 11 N 3.18 0.51 0.00 3.34 5.66 -1.24 -4.67 114.28 121.05 2k4w n THR 11 Ca 0.14 -2.21 0.00 0.00 -3.05 0.00 0.00 64.05 58.93 2k4w n THR 11 Cb 0.34 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 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 -0.46 0.00 -0.54 1.79 0.00 -1.26 -4.76 120.51 115.28 2k4w n ALA 12 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2k4w n ALA 12 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.26 2k4w n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n GLN 13 N 0.00 1.08 0.00 0.00 0.00 -1.26 -4.93 117.38 112.28 2k4w n GLN 13 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 57.00 56.83 2k4w n GLN 13 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.03 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 14 N 1.73 -0.98 3.69 2.61 0.00 -1.26 -4.62 105.19 106.35 2k4w n GLY 14 Ca 0.07 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2k4w n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 15 N 0.00 3.14 0.00 1.61 1.01 -1.26 -3.68 120.40 121.23 2k4w s VAL 15 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2k4w s VAL 15 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2k4w s VAL 15 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2k4w n GLY 16 N 3.92 0.23 3.59 4.51 0.00 -1.24 -4.95 105.19 111.25 2k4w n GLY 16 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 1.47 0.01 1.61 -2.07 -1.26 -4.94 119.66 114.48 2k4w s GLN 17 Ca 0.00 -0.78 -0.00 0.00 -1.82 0.00 0.00 55.36 52.76 2k4w s GLN 17 Cb 0.00 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 2k4w s GLN 17 CO 0.00 -0.65 0.12 0.45 -1.32 0.00 0.00 175.29 173.89 2k4w s SER 18 N -2.85 5.87 0.00 12.60 0.15 -1.26 -1.45 113.70 126.77 2k4w s SER 18 Ca 0.07 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2k4w s SER 18 Cb -0.03 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 2k4w s SER 18 CO -0.03 0.24 0.30 2.30 1.20 0.00 0.00 173.24 177.26 2k4w n ILE 19 N 0.93 0.00 0.00 6.45 -5.35 -1.26 -5.05 119.36 115.08 2k4w n ILE 19 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2k4w n ILE 19 Cb 0.52 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4w n GLY 20 N 0.00 1.18 2.46 3.28 0.00 -1.26 -2.45 105.19 108.39 2k4w n GLY 20 Ca 0.00 -1.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.80 0.00 -4.81 2.61 -2.24 -1.26 -3.98 114.28 102.80 2k4w n THR 21 Ca 0.00 -1.73 -0.25 0.00 -2.27 0.00 0.00 64.05 59.80 2k4w n THR 21 Cb 0.00 0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.62 1.38 -0.02 2.28 1.01 0.15 -2.11 120.40 120.46 2k4w s VAL 22 Ca 0.13 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2k4w s VAL 22 Cb 0.01 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2k4w s VAL 22 CO 0.10 0.40 0.65 0.54 0.00 0.00 0.00 175.10 176.78 2k4w s VAL 23 N -0.08 4.93 -0.13 2.92 0.11 -0.22 -0.63 120.40 127.30 2k4w s VAL 23 Ca -0.01 1.36 -0.03 0.00 -2.93 0.00 0.00 61.98 60.38 2k4w s VAL 23 Cb -0.10 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 2k4w s VAL 23 CO 0.01 0.35 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.47 2k4w s ILE 24 N 0.17 3.96 -0.31 7.04 1.01 -0.39 -1.13 121.20 131.55 2k4w s ILE 24 Ca 0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 2k4w s ILE 24 Cb -0.18 -2.70 0.11 0.00 0.01 0.00 0.00 42.46 39.70 2k4w s ILE 24 CO 0.18 0.53 0.16 -0.62 0.00 0.00 0.00 174.94 175.19 2k4w s ASP 25 N -0.10 3.40 0.42 3.58 2.15 -0.12 -1.13 116.67 124.86 2k4w s ASP 25 Ca 0.02 -1.63 -0.26 0.00 0.43 0.00 0.00 52.55 51.11 2k4w s ASP 25 Cb -0.13 -0.42 -0.09 0.00 -0.30 0.00 0.00 42.92 41.97 2k4w s ASP 25 CO 0.02 -0.39 1.43 -0.70 -0.17 0.00 0.00 175.17 175.37 2k4w s GLU 26 N 1.69 3.89 0.36 4.34 -6.30 0.77 -1.17 118.70 122.28 2k4w s GLU 26 Ca 0.12 2.45 -0.12 0.00 -2.50 0.00 0.00 54.97 54.91 2k4w s GLU 26 Cb -0.19 -2.79 0.04 0.00 0.00 0.00 0.00 34.13 31.19 2k4w s GLU 26 CO -0.23 -0.66 0.68 -0.08 0.02 0.00 0.00 175.26 174.99 2k4w s THR 27 N -1.17 0.00 0.30 -1.70 -1.32 -1.03 -0.21 115.64 110.50 2k4w s THR 27 Ca 0.57 -1.18 0.36 0.00 -1.21 0.00 0.00 61.69 60.24 2k4w s THR 27 Cb -0.44 -2.71 0.38 0.00 -1.51 0.00 0.00 72.50 68.22 2k4w s THR 27 CO 0.58 0.00 2.11 -0.08 -2.21 0.00 0.00 174.62 175.02 2k4w h GLU 28 N 2.04 0.00 -0.31 7.08 4.81 -1.96 0.28 114.58 126.52 2k4w h GLU 28 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2k4w h GLU 28 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2k4w h GLU 28 CO 0.38 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 2k4w n GLY 29 N -0.85 0.71 4.98 1.92 0.00 -1.26 -5.03 105.19 105.66 2k4w n GLY 29 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.17 -1.97 3.57 -0.02 0.00 0.99 -3.61 105.19 105.32 2k4w n GLY 30 Ca 0.15 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 2k4w n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4w n LEU 31 N 0.00 2.75 -4.59 0.99 4.77 -1.15 -2.46 117.00 117.30 2k4w n LEU 31 Ca 0.00 -0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 2k4w n LEU 31 Cb 0.00 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.50 2k4w n LEU 31 CO 0.00 -1.09 0.73 -0.75 -1.33 0.00 0.00 177.39 174.95 2k4w s LYS 32 N 7.26 3.76 -0.18 3.23 2.20 -0.32 -1.00 119.74 134.70 2k4w s LYS 32 Ca 1.01 0.45 -0.15 0.00 -0.36 0.00 0.00 55.97 56.91 2k4w s LYS 32 Cb -0.30 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 2k4w s LYS 32 CO 0.32 -1.00 0.36 0.12 -0.36 0.00 0.00 175.35 174.79 2k4w s PHE 33 N 3.49 3.42 -0.18 4.03 5.36 0.54 -0.94 117.98 133.69 2k4w s PHE 33 Ca 0.37 0.62 -0.04 0.00 -0.96 0.00 0.00 56.93 56.92 2k4w s PHE 33 Cb -0.12 -2.44 0.06 0.00 -0.34 0.00 0.00 43.02 40.18 2k4w s PHE 33 CO 0.20 0.11 0.07 0.99 -1.46 0.00 0.00 175.22 175.13 2k4w s THR 34 N 0.88 0.18 0.64 0.12 2.01 -0.28 -1.52 115.64 117.66 2k4w s THR 34 Ca 0.18 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 2k4w s THR 34 Cb -0.14 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 2k4w s THR 34 CO 0.06 -0.26 1.01 -2.16 -0.69 0.00 0.00 174.62 172.59 2k4w s PRO 35 N 2.02 3.12 -0.02 4.92 0.04 -1.26 -1.05 135.00 142.77 2k4w s PRO 35 Ca 0.01 0.42 0.13 0.00 0.04 0.00 0.00 61.00 61.60 2k4w s PRO 35 Cb -0.16 -2.12 0.23 0.00 0.04 0.00 0.00 34.50 32.49 2k4w s PRO 35 CO -0.09 -0.77 1.10 -2.39 0.04 0.00 0.00 177.00 174.89 2k4w n HIS 36 N -2.79 -0.03 -3.60 0.56 1.44 -0.90 -4.16 115.22 105.74 2k4w n HIS 36 Ca 0.06 -0.60 -0.37 0.00 -2.01 0.00 0.00 57.72 54.79 2k4w n HIS 36 Cb 0.56 0.21 -0.06 0.00 0.12 0.00 0.00 29.99 30.83 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 -0.28 4.44 -0.23 2.39 1.02 -1.02 -4.53 118.68 120.47 2k4w s LEU 37 Ca 0.17 0.82 0.12 0.00 0.02 0.00 0.00 54.13 55.26 2k4w s LEU 37 Cb 0.21 -2.52 0.45 0.00 0.02 0.00 0.00 46.19 44.35 2k4w s LEU 37 CO -0.08 0.32 1.35 2.29 0.02 0.00 0.00 176.35 180.25 2k4w n LYS 38 N 1.71 1.86 -2.86 1.70 2.85 -1.03 -0.97 118.16 121.42 2k4w n LYS 38 Ca -0.14 -3.07 -0.12 0.00 -1.05 0.00 0.00 58.31 53.93 2k4w n LYS 38 Cb 0.53 -1.72 0.04 0.00 -0.65 0.00 0.00 35.03 33.22 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k4w n ALA 39 N -1.08 -0.23 -2.19 0.58 0.00 -0.94 -4.69 120.51 111.96 2k4w n ALA 39 Ca 0.25 -1.96 -0.10 0.00 0.00 0.00 0.00 53.44 51.64 2k4w n ALA 39 Cb 0.86 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k4w s LEU 40 N -1.53 2.49 0.16 0.00 1.02 -0.90 -5.06 118.68 114.86 2k4w s LEU 40 Ca 0.30 -0.98 -0.32 0.00 0.02 0.00 0.00 54.13 53.16 2k4w s LEU 40 Cb 0.26 0.01 -0.10 0.00 0.02 0.00 0.00 46.19 46.38 2k4w s LEU 40 CO -0.14 -0.49 1.60 -2.16 0.02 0.00 0.00 176.35 175.18 2k4w s PRO 41 N -3.72 4.20 -0.20 1.29 0.04 -1.26 -4.41 135.00 130.94 2k4w s PRO 41 Ca 0.09 2.39 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 2k4w s PRO 41 Cb 0.05 -3.19 0.16 0.00 0.04 0.00 0.00 34.50 31.57 2k4w s PRO 41 CO -0.06 -0.64 1.84 -0.35 0.04 0.00 0.00 177.00 177.83 2k4w n PRO 42 N 4.14 1.51 0.00 0.56 -0.04 -1.26 -4.68 135.00 135.22 2k4w n PRO 42 Ca 0.14 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 2k4w n PRO 42 Cb 0.38 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.53 2.41 3.41 0.55 0.00 -1.24 -3.86 105.19 107.00 2k4w n GLY 43 Ca 0.20 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 4.54 2.42 -0.02 1.61 2.02 -1.26 -0.67 118.70 127.33 2k4w s GLU 44 Ca 0.00 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 2k4w s GLU 44 Cb 0.00 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.96 2k4w s GLU 44 CO 0.00 0.57 0.11 -1.01 0.02 0.00 0.00 175.26 174.96 2k4w s HIS 45 N -0.61 -0.04 0.81 1.61 3.76 -0.31 -4.14 115.29 116.37 2k4w s HIS 45 Ca 0.09 0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 55.00 2k4w s HIS 45 Cb -0.11 -0.01 0.08 0.00 1.11 0.00 0.00 32.58 33.65 2k4w s HIS 45 CO 0.00 -0.15 1.10 0.20 -0.85 0.00 0.00 174.74 175.04 2k4w s GLY 46 N -0.54 1.67 -0.02 -2.22 0.00 0.12 0.49 107.32 106.81 2k4w s GLY 46 Ca -0.06 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 2k4w s GLY 46 CO 0.00 0.62 0.03 -0.12 0.00 0.00 0.00 173.10 173.64 2k4w s PHE 47 N -2.88 0.05 0.30 1.90 5.36 -1.26 -1.04 117.98 120.40 2k4w s PHE 47 Ca 0.62 0.14 0.04 0.00 -0.96 0.00 0.00 56.93 56.78 2k4w s PHE 47 Cb -0.18 -0.29 -0.06 0.00 -0.34 0.00 0.00 43.02 42.15 2k4w s PHE 47 CO 0.56 -0.11 0.02 -1.01 -1.46 0.00 0.00 175.22 173.22 2k4w s HIS 48 N 1.26 1.89 0.02 10.12 3.76 -0.61 -3.80 115.29 127.93 2k4w s HIS 48 Ca -0.07 -0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 53.92 2k4w s HIS 48 Cb -0.13 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 2k4w s HIS 48 CO -0.03 0.07 0.24 0.42 -0.85 0.00 0.00 174.74 174.59 2k4w s ILE 49 N -3.24 5.36 0.17 0.60 1.01 -0.74 -1.09 121.20 123.26 2k4w s ILE 49 Ca 0.33 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.96 2k4w s ILE 49 Cb 0.07 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 2k4w s ILE 49 CO 0.13 0.28 -0.08 -1.00 0.00 0.00 0.00 174.94 174.27 2k4w s HIS 50 N -1.38 1.38 0.37 3.97 3.76 -0.78 -3.81 115.29 118.80 2k4w s HIS 50 Ca 0.30 -0.77 0.22 0.00 -0.15 0.00 0.00 55.06 54.66 2k4w s HIS 50 Cb -0.13 -0.72 1.15 0.00 1.11 0.00 0.00 32.58 34.00 2k4w s HIS 50 CO 0.20 0.09 1.97 0.00 -0.85 0.00 0.00 174.74 176.15 2k4w h ALA 51 N 2.68 1.31 -2.45 -1.40 0.00 -1.26 -3.26 119.26 114.89 2k4w h ALA 51 Ca -0.37 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 2k4w h ALA 51 Cb 1.20 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2k4w h ALA 51 CO 0.64 0.25 -0.63 -0.80 0.00 0.00 0.00 179.25 178.71 2k4w s ASN 52 N -6.43 0.29 -0.48 0.00 0.01 -0.03 -4.75 114.94 103.55 2k4w s ASN 52 Ca -0.02 -1.20 -0.15 0.00 -0.71 0.00 0.00 52.86 50.78 2k4w s ASN 52 Cb 0.13 0.31 0.08 0.00 0.41 0.00 0.00 41.25 42.19 2k4w s ASN 52 CO 0.64 -0.74 0.39 -0.83 -1.51 0.00 0.00 177.10 175.05 2k4w s GLY 53 N -3.05 2.04 0.00 0.66 0.00 -0.32 -1.31 107.32 105.35 2k4w s GLY 53 Ca 0.25 -2.20 0.00 0.00 0.00 0.00 0.00 44.72 42.76 2k4w s GLY 53 CO 0.02 1.07 0.00 1.44 0.00 0.00 0.00 173.10 175.63 2k4w n SER 54 N 5.16 0.00 0.00 1.64 7.64 -1.25 -4.87 113.62 121.94 2k4w n SER 54 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2k4w n SER 54 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k4w s GLN 56 N -2.00 4.51 0.61 0.00 1.11 -1.26 -4.46 119.66 118.18 2k4w s GLN 56 Ca 0.00 1.60 -0.11 0.00 0.01 0.00 0.00 55.36 56.86 2k4w s GLN 56 Cb 0.00 -2.94 -0.04 0.00 -1.01 0.00 0.00 33.01 29.02 2k4w s GLN 56 CO 0.00 0.15 1.01 -1.25 0.01 0.00 0.00 175.29 175.22 2k4w s PRO 57 N -1.82 3.56 0.31 2.91 0.04 -1.26 -1.16 135.00 137.58 2k4w s PRO 57 Ca 0.49 0.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 2k4w s PRO 57 Cb -0.26 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2k4w s PRO 57 CO 0.33 -0.56 0.60 0.00 0.04 0.00 0.00 177.00 177.41 2k4w s ALA 58 N -3.15 3.56 -0.14 8.56 0.00 -1.25 -4.71 121.76 124.63 2k4w s ALA 58 Ca 0.54 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2k4w s ALA 58 Cb -0.11 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2k4w s ALA 58 CO 0.53 0.19 -0.19 0.42 0.00 0.00 0.00 175.76 176.71 2k4w s ILE 59 N -2.14 1.88 -0.05 0.00 -1.09 -1.26 0.21 121.20 118.73 2k4w s ILE 59 Ca 0.46 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 2k4w s ILE 59 Cb -0.11 -1.68 0.11 0.00 -1.58 0.00 0.00 42.46 39.20 2k4w s ILE 59 CO 0.30 0.51 0.97 -0.75 -1.23 0.00 0.00 174.94 174.74 2k4w s LYS 60 N 1.01 0.69 -1.74 2.79 2.20 -0.82 -4.99 119.74 118.88 2k4w s LYS 60 Ca -0.04 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2k4w s LYS 60 Cb -0.15 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2k4w s LYS 60 CO -0.05 -0.30 0.00 -3.47 -0.36 0.00 0.00 175.35 171.17 2k4w n ASP 61 N -0.18 -5.46 -0.07 1.43 2.03 -1.26 -1.55 116.55 111.49 2k4w n ASP 61 Ca -0.07 0.12 -0.01 0.00 0.52 0.00 0.00 54.79 55.36 2k4w n ASP 61 Cb 0.61 -4.62 -0.00 0.00 -0.72 0.00 0.00 41.12 36.39 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 -0.84 0.49 3.43 0.27 0.00 -1.26 -5.01 105.19 102.26 2k4w n GLY 62 Ca -0.22 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.09 1.25 -0.36 1.61 -2.07 -0.59 -5.15 119.66 113.26 2k4w s GLN 63 Ca 0.00 -0.94 -0.14 0.00 -1.82 0.00 0.00 55.36 52.46 2k4w s GLN 63 Cb 0.00 0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 32.38 2k4w s GLN 63 CO 0.00 -0.50 0.27 0.00 -1.32 0.00 0.00 175.29 173.74 2k4w s ALA 64 N -3.89 3.50 -1.17 2.60 0.00 -1.26 -1.94 121.76 119.59 2k4w s ALA 64 Ca 0.10 -1.47 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 2k4w s ALA 64 Cb 0.01 -2.75 -0.12 0.00 0.00 0.00 0.00 23.12 20.26 2k4w s ALA 64 CO -0.04 -1.13 3.10 0.28 0.00 0.00 0.00 175.76 177.98 2k4w n VAL 65 N 5.14 4.02 0.00 0.00 0.31 0.13 -4.88 118.33 123.05 2k4w n VAL 65 Ca -0.12 -2.41 0.00 0.00 -0.01 0.00 0.00 64.34 61.81 2k4w n VAL 65 Cb 0.49 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 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 3.15 0.00 -2.63 3.52 0.00 -1.26 -3.12 120.51 120.17 2k4w n ALA 66 Ca 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 54.09 2k4w n ALA 66 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.81 0.33 0.00 0.00 -1.26 -4.14 120.51 113.62 2k4w n ALA 67 Ca 0.00 -0.42 0.21 0.00 0.00 0.00 0.00 53.44 53.22 2k4w n ALA 67 Cb 0.00 -0.91 1.12 0.00 0.00 0.00 0.00 19.45 19.66 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 0.96 0.00 0.00 0.00 4.57 -1.39 0.40 114.58 119.12 2k4w h GLU 68 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2k4w h GLU 68 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2k4w h GLU 68 CO -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.67 2k4w h ALA 69 N 1.95 1.00 -0.00 2.92 0.00 -1.45 -3.18 119.26 120.50 2k4w h ALA 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 69 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k4w h ALA 69 CO -0.00 0.00 -0.82 0.00 0.00 0.00 0.00 179.25 178.43 2k4w n ALA 70 N -2.09 4.35 0.00 0.00 0.00 0.11 -3.84 120.51 119.05 2k4w n ALA 70 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2k4w n ALA 70 Cb 0.33 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2k4w n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4w n GLY 71 N 1.49 -2.14 1.14 0.00 0.00 -1.12 -0.85 105.19 103.71 2k4w n GLY 71 Ca 0.05 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.13 -2.15 3.50 -0.02 0.00 -1.26 -4.43 105.19 98.69 2k4w n GLY 72 Ca 0.00 -1.53 -0.47 0.00 0.00 0.00 0.00 46.02 44.02 2k4w n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4w n HIS 73 N -3.04 0.42 -1.18 1.61 8.25 -1.26 -2.66 115.22 117.34 2k4w n HIS 73 Ca 0.05 0.84 -0.37 0.00 -0.26 0.00 0.00 57.72 57.98 2k4w n HIS 73 Cb 0.18 -2.11 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2k4w n LEU 74 N 1.68 5.49 -4.13 2.41 0.00 -1.25 -4.70 117.00 116.51 2k4w n LEU 74 Ca 0.15 -3.34 -0.37 0.00 0.00 0.00 0.00 56.01 52.44 2k4w n LEU 74 Cb 0.27 -1.28 -0.07 0.00 0.00 0.00 0.00 43.42 42.34 2k4w n LEU 74 CO 0.58 0.52 0.28 -1.81 0.00 0.00 0.00 177.39 176.96 2k4w s ASP 75 N 3.84 5.88 0.65 1.96 1.11 -1.26 -1.78 116.67 127.07 2k4w s ASP 75 Ca 0.52 -3.41 0.35 0.00 0.18 0.00 0.00 52.55 50.18 2k4w s ASP 75 Cb 0.14 -1.92 1.90 0.00 1.07 0.00 0.00 42.92 44.11 2k4w s ASP 75 CO 0.01 -0.26 2.12 1.55 1.18 0.00 0.00 175.17 179.76 2k4w h PRO 76 N 6.43 0.00 0.00 8.23 0.13 -1.99 -3.27 132.00 141.53 2k4w h PRO 76 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2k4w h PRO 76 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2k4w h PRO 76 CO 0.81 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.52 2k4w n GLN 77 N -3.20 0.00 -0.02 0.86 0.00 -1.26 -5.09 117.38 108.67 2k4w n GLN 77 Ca -0.01 -0.08 -0.15 0.00 -0.00 0.00 0.00 57.00 56.76 2k4w n GLN 77 Cb 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 30.24 30.35 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2k4w h ASN 78 N 0.00 0.87 0.00 1.69 4.21 -1.95 -3.45 115.58 116.95 2k4w h ASN 78 Ca 0.00 -0.53 0.00 0.00 1.21 0.00 0.00 56.30 56.98 2k4w h ASN 78 Cb 0.81 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2k4w h ASN 78 CO 0.00 1.32 0.00 1.07 -1.29 0.00 0.00 177.43 178.53 2k4w n THR 79 N -3.94 0.00 -1.12 2.81 5.66 -1.26 -5.02 114.28 111.40 2k4w n THR 79 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2k4w n THR 79 Cb 0.70 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 2k4w n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4w n GLY 80 N 0.00 0.78 0.00 1.09 0.00 -1.26 -5.06 105.19 100.74 2k4w n GLY 80 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2k4w n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k4w n LYS 81 N -0.34 0.00 -3.60 1.61 2.85 -1.26 -4.81 118.16 112.61 2k4w n LYS 81 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2k4w n LYS 81 Cb 0.24 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.56 2k4w n LYS 81 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k4w s HIS 82 N 1.11 -0.59 0.00 5.58 2.46 -1.25 -4.58 115.29 118.02 2k4w s HIS 82 Ca 0.00 1.28 0.00 0.00 0.47 0.00 0.00 55.06 56.81 2k4w s HIS 82 Cb 0.00 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2k4w s HIS 82 CO 0.00 -0.38 0.00 -1.91 -2.47 0.00 0.00 174.74 169.98 2k4w n GLU 83 N 1.77 0.18 0.00 2.88 0.00 -0.52 -0.78 120.64 124.17 2k4w n GLU 83 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 2k4w n GLU 83 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.00 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4w n GLY 84 N 5.00 1.25 0.03 8.31 0.00 -1.26 -4.39 105.19 114.14 2k4w n GLY 84 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.38 2k4w n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k4w n PRO 85 N 0.00 0.65 0.00 1.61 -0.04 -1.26 -4.87 135.00 131.10 2k4w n PRO 85 Ca 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k4w n PRO 85 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.38 0.00 0.00 0.54 0.28 -1.26 -5.19 120.64 112.63 2k4w n GLU 86 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 2k4w n GLU 86 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 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 1.71 0.16 -1.84 0.00 -1.26 -5.08 105.19 98.87 2k4w n GLY 87 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2k4w n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLN 88 N 0.00 0.00 -3.48 1.61 10.64 0.04 -4.90 117.38 121.29 2k4w n GLN 88 Ca 0.00 -0.11 -0.05 0.00 -1.83 0.00 0.00 57.00 55.02 2k4w n GLN 88 Cb 0.00 -0.08 0.02 0.00 -0.86 0.00 0.00 30.24 29.32 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k4w n GLY 89 N 0.00 0.86 2.70 2.61 0.00 -0.51 -4.84 105.19 106.02 2k4w n GLY 89 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 2k4w n GLY 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k4w n HIS 90 N -0.56 -3.82 -1.60 1.61 -0.00 -1.26 -1.44 115.22 108.14 2k4w n HIS 90 Ca -0.04 2.07 -0.41 0.00 -0.00 0.00 0.00 57.72 59.34 2k4w n HIS 90 Cb 0.51 -3.59 -0.01 0.00 -0.00 0.00 0.00 29.99 26.89 2k4w n HIS 90 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2k4w n LEU 91 N 1.51 7.72 0.00 0.27 -0.00 -0.73 -3.64 117.00 122.12 2k4w n LEU 91 Ca -0.26 -4.30 0.00 0.00 -0.00 0.00 0.00 56.01 51.45 2k4w n LEU 91 Cb 0.42 -1.59 0.00 0.00 -0.00 0.00 0.00 43.42 42.25 2k4w n LEU 91 CO 0.37 1.57 0.00 0.61 -0.00 0.00 0.00 177.39 179.94 2k4w n GLY 92 N 3.70 0.00 3.79 1.47 0.00 -1.26 -4.88 105.19 108.00 2k4w n GLY 92 Ca 0.63 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 6.58 0.29 1.61 1.01 -1.24 -1.80 116.67 123.12 2k4w s ASP 93 Ca 0.00 2.03 -0.17 0.00 0.71 0.00 0.00 52.55 55.11 2k4w s ASP 93 Cb 0.00 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.37 2k4w s ASP 93 CO 0.00 -0.62 0.66 -0.76 0.21 0.00 0.00 175.17 174.66 2k4w s LEU 94 N -2.94 -0.02 0.14 1.23 1.02 -1.25 -4.90 118.68 111.97 2k4w s LEU 94 Ca 0.61 -0.82 -0.30 0.00 0.02 0.00 0.00 54.13 53.64 2k4w s LEU 94 Cb -0.21 2.46 -0.07 0.00 0.02 0.00 0.00 46.19 48.39 2k4w s LEU 94 CO 0.26 -1.35 1.21 -2.16 0.02 0.00 0.00 176.35 174.33 2k4w s PRO 95 N -3.64 4.46 0.22 1.29 0.04 -1.26 -4.69 135.00 131.42 2k4w s PRO 95 Ca 0.15 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2k4w s PRO 95 Cb -0.04 -3.27 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 2k4w s PRO 95 CO 0.09 -0.16 1.57 0.14 0.04 0.00 0.00 177.00 178.68 2k4w s VAL 96 N 0.35 2.40 -0.83 -0.36 -7.23 -1.26 -4.30 120.40 109.18 2k4w s VAL 96 Ca 0.55 0.31 -0.25 0.00 -1.81 0.00 0.00 61.98 60.78 2k4w s VAL 96 Cb -0.32 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.37 2k4w s VAL 96 CO 0.34 0.04 2.00 -0.76 -0.31 0.00 0.00 175.10 176.40 2k4w s LEU 97 N 0.41 3.16 0.14 1.32 1.43 0.18 -4.89 118.68 120.42 2k4w s LEU 97 Ca 0.67 -0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 53.08 2k4w s LEU 97 Cb -0.45 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 2k4w s LEU 97 CO 0.38 -2.82 1.37 -0.69 0.23 0.00 0.00 176.35 174.82 2k4w s VAL 98 N 10.51 3.27 -0.09 -1.59 1.01 -1.26 -1.16 120.40 131.09 2k4w s VAL 98 Ca 0.73 0.94 0.03 0.00 0.00 0.00 0.00 61.98 63.68 2k4w s VAL 98 Cb -0.09 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2k4w s VAL 98 CO 0.04 0.09 -0.19 -0.69 0.00 0.00 0.00 175.10 174.36 2k4w s VAL 99 N 0.82 2.60 0.43 2.92 1.01 0.15 -4.44 120.40 123.90 2k4w s VAL 99 Ca 0.62 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2k4w s VAL 99 Cb -0.37 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 2k4w s VAL 99 CO 0.33 0.56 0.83 0.54 0.00 0.00 0.00 175.10 177.35 2k4w s ASN 100 N -0.02 6.56 0.62 3.32 2.20 -0.53 -3.72 114.94 123.36 2k4w s ASN 100 Ca -0.06 1.26 0.25 0.00 -0.94 0.00 0.00 52.86 53.37 2k4w s ASN 100 Cb -0.15 -2.38 1.10 0.00 -2.00 0.00 0.00 41.25 37.83 2k4w s ASN 100 CO 0.05 -0.45 1.55 -0.55 -2.94 0.00 0.00 177.10 174.76 2k4w h ASN 101 N 1.18 0.00 0.21 3.54 -0.00 -1.88 -1.18 115.58 117.45 2k4w h ASN 101 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 2k4w h ASN 101 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.51 2k4w h ASN 101 CO 0.63 0.00 -0.42 0.47 -0.00 0.00 0.00 177.43 178.11 2k4w n ASP 102 N -3.28 1.14 0.00 6.14 8.00 -1.26 -4.81 116.55 122.49 2k4w n ASP 102 Ca 0.12 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.70 2k4w n ASP 102 Cb 1.02 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 2k4w n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4w n GLY 103 N 1.40 1.41 3.14 0.44 0.00 -0.45 -5.02 105.19 106.11 2k4w n GLY 103 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 1.77 -0.28 -0.61 1.01 -1.22 -2.11 121.20 117.76 2k4w s ILE 104 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 2k4w s ILE 104 Cb 0.00 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 2k4w s ILE 104 CO 0.00 0.50 0.55 0.00 0.00 0.00 0.00 174.94 175.99 2k4w s ALA 105 N 0.65 3.57 0.00 9.38 0.00 -0.15 -1.46 121.76 133.76 2k4w s ALA 105 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2k4w s ALA 105 Cb -0.16 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2k4w s ALA 105 CO 0.03 -0.87 0.34 -2.37 0.00 0.00 0.00 175.76 172.89 2k4w n THR 106 N 5.24 0.10 -3.08 0.00 5.66 -1.26 -2.43 114.28 118.51 2k4w n THR 106 Ca -0.03 -0.16 -0.41 0.00 -3.05 0.00 0.00 64.05 60.40 2k4w n THR 106 Cb 0.49 1.38 -0.06 0.00 -1.55 0.00 0.00 70.33 70.59 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 -0.10 4.10 0.18 1.09 0.41 -1.26 -4.65 118.70 118.47 2k4w s GLU 107 Ca 0.00 0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 54.84 2k4w s GLU 107 Cb 0.00 -3.66 -0.08 0.00 -1.78 0.00 0.00 34.13 28.62 2k4w s GLU 107 CO 0.00 -0.44 1.05 -1.25 -0.49 0.00 0.00 175.26 174.13 2k4w s PRO 108 N 2.57 4.65 0.27 0.39 0.04 -1.26 -4.29 135.00 137.36 2k4w s PRO 108 Ca 0.27 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2k4w s PRO 108 Cb -0.15 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 2k4w s PRO 108 CO 0.09 0.17 0.35 0.14 0.04 0.00 0.00 177.00 177.79 2k4w s VAL 109 N -0.37 0.00 -0.07 -0.36 -7.23 -0.57 -5.03 120.40 106.76 2k4w s VAL 109 Ca 0.47 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.87 2k4w s VAL 109 Cb -0.28 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.22 2k4w s VAL 109 CO 0.34 0.00 0.20 -0.89 -0.31 0.00 0.00 175.10 174.44 2k4w s THR 110 N -3.70 0.00 -0.70 5.32 2.01 -1.26 -0.34 115.64 116.97 2k4w s THR 110 Ca 0.32 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.22 2k4w s THR 110 Cb 0.02 -0.29 0.18 0.00 0.01 0.00 0.00 72.50 72.43 2k4w s THR 110 CO 0.15 -0.01 0.57 0.00 -0.69 0.00 0.00 174.62 174.64 2k4w s ALA 111 N 0.07 3.78 -1.74 7.40 0.00 -0.17 -4.73 121.76 126.37 2k4w s ALA 111 Ca -0.00 -3.26 0.17 0.00 0.00 0.00 0.00 51.96 48.86 2k4w s ALA 111 Cb -0.02 -3.01 0.94 0.00 0.00 0.00 0.00 23.12 21.04 2k4w s ALA 111 CO 0.00 -2.17 1.45 -0.35 0.00 0.00 0.00 175.76 174.70 2k4w n PRO 112 N 3.72 0.40 0.16 0.00 -0.04 -1.24 -2.93 135.00 135.07 2k4w n PRO 112 Ca 0.10 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2k4w n PRO 112 Cb 0.41 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.87 2k4w n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4w h ARG 113 N 0.00 0.00 -6.03 0.54 2.47 -1.93 -3.44 114.38 105.99 2k4w h ARG 113 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 2k4w h ARG 113 Cb 0.07 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 28.14 2k4w h ARG 113 CO 0.00 0.00 -0.84 -0.51 0.56 0.00 0.00 179.97 179.18 2k4w s LEU 114 N -4.90 2.18 -0.08 3.04 1.02 -1.15 -5.06 118.68 113.72 2k4w s LEU 114 Ca 0.05 -0.53 0.17 0.00 0.02 0.00 0.00 54.13 53.84 2k4w s LEU 114 Cb 0.10 -0.94 0.33 0.00 0.02 0.00 0.00 46.19 45.70 2k4w s LEU 114 CO 0.48 0.14 1.16 0.29 0.02 0.00 0.00 176.35 178.44 2k4w n LYS 115 N 1.80 0.46 -3.62 1.70 5.02 -1.26 -3.44 118.16 118.82 2k4w n LYS 115 Ca -0.17 -1.93 -0.12 0.00 -2.02 0.00 0.00 58.31 54.07 2k4w n LYS 115 Cb 0.53 -0.12 -0.07 0.00 -0.02 0.00 0.00 35.03 35.36 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k4w s SER 116 N -1.97 -0.59 0.53 4.39 0.15 -1.26 -4.95 113.70 109.99 2k4w s SER 116 Ca 0.21 1.06 0.29 0.00 0.70 0.00 0.00 55.95 58.22 2k4w s SER 116 Cb 0.28 1.05 1.45 0.00 -1.71 0.00 0.00 66.02 67.10 2k4w s SER 116 CO -0.10 -0.25 2.05 0.25 1.20 0.00 0.00 173.24 176.39 2k4w h LEU 117 N 4.29 0.00 -2.36 3.45 5.85 -1.97 -1.34 115.31 123.24 2k4w h LEU 117 Ca -0.28 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.47 2k4w h LEU 117 Cb 1.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2k4w h LEU 117 CO 0.13 0.11 0.12 0.44 -0.34 0.00 0.00 178.44 178.90 2k4w h ASP 118 N 0.00 0.00 0.65 1.25 3.32 -1.99 -1.19 116.42 118.45 2k4w h ASP 118 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k4w h ASP 118 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2k4w h ASP 118 CO 0.01 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.20 2k4w h GLU 119 N 0.00 0.00 0.00 3.56 5.08 -1.65 -3.30 114.58 118.28 2k4w h GLU 119 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k4w h GLU 119 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k4w h GLU 119 CO -0.00 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 2k4w n VAL 120 N -2.43 0.37 0.99 3.13 0.24 -0.49 -4.89 118.33 115.25 2k4w n VAL 120 Ca 0.01 -0.41 0.04 0.00 -2.04 0.00 0.00 64.34 61.94 2k4w n VAL 120 Cb 0.21 0.92 0.22 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.18 0.50 0.00 7.34 2.85 -0.99 -1.85 118.16 125.82 2k4w n LYS 121 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2k4w n LYS 121 Cb 0.34 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.48 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 -0.74 0.62 -4.43 -5.58 2.03 -1.26 -4.81 116.55 102.39 2k4w n ASP 122 Ca 0.06 -1.30 -0.23 0.00 0.52 0.00 0.00 54.79 53.84 2k4w n ASP 122 Cb 0.03 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.42 2k4w n ASP 122 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k4w n LYS 123 N -0.15 0.80 -4.39 -0.67 5.02 -0.77 -1.17 118.16 116.83 2k4w n LYS 123 Ca 0.00 -2.97 -0.29 0.00 -2.02 0.00 0.00 58.31 53.03 2k4w n LYS 123 Cb 0.40 0.35 -0.13 0.00 -0.02 0.00 0.00 35.03 35.63 2k4w n LYS 123 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4w s ALA 124 N -2.68 2.42 0.17 7.82 0.00 -0.42 -2.50 121.76 126.56 2k4w s ALA 124 Ca 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2k4w s ALA 124 Cb -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2k4w s ALA 124 CO 0.16 0.55 0.34 -0.51 0.00 0.00 0.00 175.76 176.30 2k4w s LEU 125 N -2.05 4.27 -0.02 0.00 1.43 -0.15 -1.86 118.68 120.30 2k4w s LEU 125 Ca 0.14 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2k4w s LEU 125 Cb -0.10 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.05 2k4w s LEU 125 CO 0.06 0.01 0.07 -0.04 0.23 0.00 0.00 176.35 176.68 2k4w s MET 126 N -3.22 0.12 0.09 1.70 -1.94 -0.25 -1.95 119.30 113.86 2k4w s MET 126 Ca 0.37 0.03 -0.20 0.00 -1.71 0.00 0.00 55.69 54.18 2k4w s MET 126 Cb -0.11 0.06 -0.07 0.00 2.01 0.00 0.00 34.83 36.71 2k4w s MET 126 CO 0.29 -0.02 0.61 0.42 -0.01 0.00 0.00 175.02 176.30 2k4w s ILE 127 N -0.13 4.67 0.12 2.53 1.01 -0.18 -1.57 121.20 127.64 2k4w s ILE 127 Ca -0.02 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.00 2k4w s ILE 127 Cb -0.02 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2k4w s ILE 127 CO 0.00 0.54 -0.17 -1.00 0.00 0.00 0.00 174.94 174.31 2k4w s HIS 128 N -1.13 1.59 -0.10 3.97 3.76 -0.20 -0.59 115.29 122.59 2k4w s HIS 128 Ca 0.30 -0.48 -0.20 0.00 -0.15 0.00 0.00 55.06 54.54 2k4w s HIS 128 Cb -0.20 -0.84 -0.17 0.00 1.11 0.00 0.00 32.58 32.48 2k4w s HIS 128 CO 0.20 0.19 0.67 0.28 -0.85 0.00 0.00 174.74 175.24 2k4w h VAL 129 N 3.74 1.09 -3.36 -0.90 2.07 -0.55 -2.98 116.25 115.37 2k4w h VAL 129 Ca -0.42 -1.60 -0.45 0.00 0.82 0.00 0.00 66.70 65.05 2k4w h VAL 129 Cb 1.19 1.97 0.15 0.00 -1.52 0.00 0.00 31.29 33.08 2k4w h VAL 129 CO 0.46 0.34 0.34 -0.83 0.02 0.00 0.00 177.57 177.89 2k4w s GLY 130 N -3.71 1.80 0.00 2.17 0.00 -0.62 -4.76 107.32 102.19 2k4w s GLY 130 Ca -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2k4w s GLY 130 CO 0.47 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.49 2k4w n GLY 131 N -3.57 -2.40 2.50 0.20 0.00 -1.26 0.15 105.19 100.82 2k4w n GLY 131 Ca 0.16 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 -1.00 -0.58 1.61 2.03 -1.26 -3.56 116.55 113.79 2k4w n ASP 132 Ca 0.00 -3.41 -0.00 0.00 0.52 0.00 0.00 54.79 51.90 2k4w n ASP 132 Cb 0.00 0.85 -0.00 0.00 -0.72 0.00 0.00 41.12 41.25 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k4w n ASN 133 N 0.32 0.01 -4.77 1.67 6.94 -1.26 -4.81 115.26 113.36 2k4w n ASN 133 Ca 0.14 -1.58 -0.39 0.00 -0.02 0.00 0.00 54.58 52.73 2k4w n ASN 133 Cb 0.68 -0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 37.98 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 0.00 4.18 0.65 -3.83 -1.94 -1.26 -4.94 119.30 112.16 2k4w s MET 134 Ca 0.02 1.92 -0.07 0.00 -1.71 0.00 0.00 55.69 55.85 2k4w s MET 134 Cb 0.02 -2.82 0.03 0.00 2.01 0.00 0.00 34.83 34.07 2k4w s MET 134 CO -0.01 -0.23 0.97 -1.54 -0.01 0.00 0.00 175.02 174.19 2k4w s SER 135 N -0.96 5.31 0.36 3.03 1.04 -1.26 -4.93 113.70 116.28 2k4w s SER 135 Ca 0.54 0.69 -0.27 0.00 0.48 0.00 0.00 55.95 57.39 2k4w s SER 135 Cb -0.33 -1.54 -0.09 0.00 0.10 0.00 0.00 66.02 64.16 2k4w s SER 135 CO 0.42 -1.29 1.17 -0.62 0.98 0.00 0.00 173.24 173.91 2k4w s ASP 136 N -4.38 6.75 0.07 7.02 2.15 -1.26 -4.49 116.67 122.53 2k4w s ASP 136 Ca 0.57 2.38 -0.15 0.00 0.43 0.00 0.00 52.55 55.77 2k4w s ASP 136 Cb -0.11 -2.62 0.03 0.00 -0.30 0.00 0.00 42.92 39.92 2k4w s ASP 136 CO 0.46 -0.52 0.36 -1.10 -0.17 0.00 0.00 175.17 174.20 2k4w s GLN 137 N -2.01 0.93 0.00 4.34 1.11 -1.26 -5.04 119.66 117.72 2k4w s GLN 137 Ca 0.53 -0.55 0.13 0.00 0.01 0.00 0.00 55.36 55.47 2k4w s GLN 137 Cb -0.32 0.41 0.76 0.00 -1.01 0.00 0.00 33.01 32.85 2k4w s GLN 137 CO 0.41 -0.33 1.20 -0.35 0.01 0.00 0.00 175.29 176.23 2k4w n PRO 138 N 0.26 0.40 -5.01 2.91 -0.04 -1.26 -4.26 135.00 128.00 2k4w n PRO 138 Ca -0.17 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 2k4w n PRO 138 Cb 0.61 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 2k4w n PRO 138 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k4w s LYS 139 N -2.01 2.97 0.90 0.54 -0.14 -1.26 -5.14 119.74 115.61 2k4w s LYS 139 Ca 0.19 -0.78 -0.11 0.00 -1.36 0.00 0.00 55.97 53.91 2k4w s LYS 139 Cb 0.09 -2.41 0.13 0.00 -1.68 0.00 0.00 37.83 33.96 2k4w s LYS 139 CO 0.15 0.31 1.09 -1.25 -0.76 0.00 0.00 175.35 174.89 2k4w s PRO 140 N 0.05 1.20 0.00 -1.68 0.04 -1.26 -3.87 135.00 129.49 2k4w s PRO 140 Ca -0.07 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2k4w s PRO 140 Cb -0.15 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2k4w s PRO 140 CO 0.05 -2.30 0.00 1.28 0.04 0.00 0.00 177.00 176.08 2k4w n LEU 141 N -3.93 0.52 -0.31 -3.56 4.77 -1.26 -2.96 117.00 110.28 2k4w n LEU 141 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2k4w n LEU 141 Cb 0.55 -1.15 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 2k4w n LEU 141 CO 0.55 -0.39 -0.04 0.61 -1.33 0.00 0.00 177.39 176.79 2k4w n GLY 142 N -1.47 0.66 5.00 -0.72 0.00 -1.25 -2.45 105.19 104.95 2k4w n GLY 142 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.78 1.31 0.01 -0.02 0.00 -1.15 -4.50 105.19 99.06 2k4w n GLY 143 Ca -0.04 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -1.35 1.68 -0.02 0.00 -1.26 -4.47 105.19 99.77 2k4w n GLY 144 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 1.48 2.37 3.54 -0.02 0.00 -1.03 -1.59 105.19 109.95 2k4w n GLY 145 Ca 0.06 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2k4w n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 146 N 0.50 2.37 0.09 2.61 -4.23 -1.26 -4.96 115.64 110.76 2k4w s THR 146 Ca 0.14 -2.22 -0.20 0.00 -1.18 0.00 0.00 61.69 58.23 2k4w s THR 146 Cb 0.07 -2.59 -0.07 0.00 1.34 0.00 0.00 72.50 71.25 2k4w s THR 146 CO 0.00 -0.25 0.60 0.00 -0.54 0.00 0.00 174.62 174.43 2k4w s ARG 147 N -3.60 4.25 -0.02 3.99 3.03 -1.26 -0.11 118.95 125.24 2k4w s ARG 147 Ca 0.32 0.80 0.22 0.00 2.03 0.00 0.00 55.73 59.10 2k4w s ARG 147 Cb 0.00 -3.23 -0.30 0.00 -1.03 0.00 0.00 34.95 30.39 2k4w s ARG 147 CO 0.17 0.62 0.51 0.98 -1.13 0.00 0.00 175.30 176.44 2k4w n TYR 148 N 1.66 0.10 -3.60 5.89 9.36 0.24 -4.73 117.16 126.09 2k4w n TYR 148 Ca -0.09 0.03 -0.14 0.00 3.32 0.00 0.00 57.90 61.01 2k4w n TYR 148 Cb 0.50 -0.58 -0.06 0.00 -0.63 0.00 0.00 39.34 38.57 2k4w n TYR 148 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k4w s ALA 149 N -3.43 -1.29 0.76 2.98 0.00 -1.01 -4.32 121.76 115.45 2k4w s ALA 149 Ca -0.07 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2k4w s ALA 149 Cb 0.13 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2k4w s ALA 149 CO 0.89 -0.45 0.00 0.00 0.00 0.00 0.00 175.76 176.21 2k4w n GLY 151 N 5.00 -1.40 3.66 0.00 0.00 -0.82 -3.98 105.19 107.65 2k4w n GLY 151 Ca 0.00 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 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 3.39 0.21 1.61 1.01 -1.26 -0.97 120.40 124.38 2k4w s VAL 152 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 2k4w s VAL 152 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 2k4w s VAL 152 CO 0.00 -0.04 0.95 -0.63 0.00 0.00 0.00 175.10 175.38 2k4w s ILE 153 N 4.15 4.15 -2.00 2.22 1.01 -1.04 -4.71 121.20 124.98 2k4w s ILE 153 Ca 0.78 2.06 0.03 0.00 0.00 0.00 0.00 60.65 63.52 2k4w s ILE 153 Cb -0.36 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 37.87 2k4w s ILE 153 CO 0.34 0.45 0.66 0.29 0.00 0.00 0.00 174.94 176.67