#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 1.29 -0.12 0.00 0.01 -1.26 -0.70 113.70 112.92 2k4w s SER 2 Ca 0.00 -0.99 -0.09 0.00 1.31 0.00 0.00 55.95 56.18 2k4w s SER 2 Cb 0.00 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.33 2k4w s SER 2 CO 0.00 -0.42 0.30 -0.70 0.41 0.00 0.00 173.24 172.83 2k4w s GLU 3 N -3.73 0.33 -0.62 12.44 2.56 0.15 -4.99 118.70 124.84 2k4w s GLU 3 Ca 0.12 0.48 -0.26 0.00 0.00 0.00 0.00 54.97 55.32 2k4w s GLU 3 Cb 0.04 0.09 0.04 0.00 2.00 0.00 0.00 34.13 36.30 2k4w s GLU 3 CO -0.03 -0.08 1.09 -1.59 -0.56 0.00 0.00 175.26 174.09 2k4w s LYS 4 N 0.51 3.31 -0.36 4.30 -2.85 -1.26 -1.01 119.74 122.39 2k4w s LYS 4 Ca -0.03 -0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 2k4w s LYS 4 Cb -0.04 -4.10 0.02 0.00 -2.06 0.00 0.00 37.83 31.64 2k4w s LYS 4 CO -0.03 -1.75 1.15 0.08 0.10 0.00 0.00 175.35 174.90 2k4w s VAL 5 N 4.66 4.34 -0.51 1.79 1.01 0.42 -4.87 120.40 127.23 2k4w s VAL 5 Ca 0.34 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.53 2k4w s VAL 5 Cb -0.11 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.87 2k4w s VAL 5 CO 0.19 -0.62 1.57 -0.83 0.00 0.00 0.00 175.10 175.40 2k4w s GLY 6 N 2.15 0.77 -0.19 4.51 0.00 -1.26 -0.70 107.32 112.59 2k4w s GLY 6 Ca 0.49 -0.44 -0.25 0.00 0.00 0.00 0.00 44.72 44.51 2k4w s GLY 6 CO 0.22 3.00 0.85 1.06 0.00 0.00 0.00 173.10 178.22 2k4w s MET 7 N 5.76 4.27 0.11 2.90 -1.94 -0.91 -4.46 119.30 125.02 2k4w s MET 7 Ca 0.61 1.03 0.04 0.00 -1.71 0.00 0.00 55.69 55.66 2k4w s MET 7 Cb -0.14 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 2k4w s MET 7 CO 0.27 -0.40 0.11 -0.80 -0.01 0.00 0.00 175.02 174.18 2k4w s ASN 8 N 1.21 5.58 0.30 3.03 -0.87 -0.55 -3.32 114.94 120.33 2k4w s ASN 8 Ca 0.38 -0.03 -0.30 0.00 -1.57 0.00 0.00 52.86 51.34 2k4w s ASN 8 Cb -0.16 -1.50 -0.11 0.00 -0.02 0.00 0.00 41.25 39.46 2k4w s ASN 8 CO 0.11 0.13 1.54 -0.76 -2.57 0.00 0.00 177.10 175.55 2k4w s LEU 9 N -2.66 4.35 -0.01 0.60 1.43 0.16 -1.51 118.68 121.05 2k4w s LEU 9 Ca 0.30 2.92 0.06 0.00 -1.03 0.00 0.00 54.13 56.38 2k4w s LEU 9 Cb -0.11 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2k4w s LEU 9 CO 0.23 -0.86 -0.20 0.68 0.23 0.00 0.00 176.35 176.43 2k4w s VAL 10 N -0.28 1.60 0.00 -1.59 -7.23 -0.60 -1.28 120.40 111.03 2k4w s VAL 10 Ca 0.60 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 2k4w s VAL 10 Cb -0.46 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.14 2k4w s VAL 10 CO 0.51 0.42 0.59 1.07 -0.31 0.00 0.00 175.10 177.38 2k4w n THR 11 N 2.50 0.00 0.00 5.32 5.66 -1.22 -4.54 114.28 122.00 2k4w n THR 11 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2k4w n THR 11 Cb 0.53 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 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 0.00 0.00 0.59 1.79 0.00 -1.25 -4.77 120.51 116.87 2k4w n ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k4w n ALA 12 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2k4w n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4w n GLN 13 N -1.21 0.59 0.00 0.00 3.00 -1.26 -4.71 117.38 113.79 2k4w n GLN 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k4w n GLN 13 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 29.02 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 0.61 -2.31 3.66 1.08 0.00 -1.26 -4.68 105.19 102.30 2k4w n GLY 14 Ca 0.00 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.40 0.71 -0.01 1.61 0.31 -1.26 -3.42 118.33 115.87 2k4w n VAL 15 Ca 0.00 -0.14 -0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2k4w n VAL 15 Cb 0.00 -2.22 -0.00 0.00 -0.91 0.00 0.00 33.84 30.71 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 4.57 -0.51 3.54 2.92 0.00 -0.40 -5.03 105.19 110.27 2k4w n GLY 16 Ca 0.21 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.10 0.77 0.30 1.61 -2.07 -1.26 -5.00 119.66 112.91 2k4w s GLN 17 Ca -0.01 -0.02 -0.09 0.00 -1.82 0.00 0.00 55.36 53.42 2k4w s GLN 17 Cb 0.00 0.36 -0.07 0.00 -1.09 0.00 0.00 33.01 32.22 2k4w s GLN 17 CO 0.02 -0.28 0.62 0.45 -1.32 0.00 0.00 175.29 174.78 2k4w s SER 18 N -1.66 6.56 0.00 12.60 0.15 -1.26 -0.66 113.70 129.43 2k4w s SER 18 Ca -0.01 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2k4w s SER 18 Cb -0.01 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2k4w s SER 18 CO -0.01 -0.21 0.00 2.30 1.20 0.00 0.00 173.24 176.52 2k4w n ILE 19 N -0.69 0.00 0.00 6.45 -6.64 -1.21 -4.90 119.36 112.37 2k4w n ILE 19 Ca 0.01 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.99 2k4w n ILE 19 Cb 0.53 1.52 0.00 0.00 -1.44 0.00 0.00 39.64 40.25 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 1.50 3.95 3.28 0.00 -1.26 -2.59 105.19 110.08 2k4w n GLY 20 Ca 0.00 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 2k4w n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 21 N -1.69 2.24 -0.08 2.61 -4.23 -1.26 -2.14 115.64 111.09 2k4w s THR 21 Ca 0.00 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 2k4w s THR 21 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2k4w s THR 21 CO 0.00 0.00 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.18 2k4w s VAL 22 N -2.61 1.77 -0.18 2.29 1.01 0.12 -3.33 120.40 119.48 2k4w s VAL 22 Ca 0.49 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 2k4w s VAL 22 Cb -0.05 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2k4w s VAL 22 CO 0.30 0.50 0.99 0.54 0.00 0.00 0.00 175.10 177.42 2k4w s VAL 23 N 0.32 4.75 -0.18 2.92 0.11 -0.16 -0.44 120.40 127.73 2k4w s VAL 23 Ca -0.14 1.95 -0.16 0.00 -2.93 0.00 0.00 61.98 60.70 2k4w s VAL 23 Cb -0.16 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.37 2k4w s VAL 23 CO 0.06 -0.08 0.38 -0.63 -3.33 0.00 0.00 175.10 171.50 2k4w s ILE 24 N 2.61 5.23 -0.10 7.04 1.01 -0.18 -0.79 121.20 136.01 2k4w s ILE 24 Ca 0.44 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.80 2k4w s ILE 24 Cb -0.16 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.61 2k4w s ILE 24 CO 0.11 0.30 -0.10 -0.62 0.00 0.00 0.00 174.94 174.63 2k4w s ASP 25 N 0.83 2.13 0.47 3.58 2.15 -0.27 -0.67 116.67 124.89 2k4w s ASP 25 Ca 0.19 -0.33 -0.20 0.00 0.43 0.00 0.00 52.55 52.64 2k4w s ASP 25 Cb -0.14 -0.89 -0.09 0.00 -0.30 0.00 0.00 42.92 41.49 2k4w s ASP 25 CO 0.07 -0.05 0.99 -1.83 -0.17 0.00 0.00 175.17 174.17 2k4w s GLU 26 N 1.30 4.02 0.14 4.34 4.04 0.12 -0.38 118.70 132.28 2k4w s GLU 26 Ca -0.02 1.16 -0.06 0.00 0.04 0.00 0.00 54.97 56.09 2k4w s GLU 26 Cb -0.14 -2.14 0.02 0.00 0.02 0.00 0.00 34.13 31.90 2k4w s GLU 26 CO -0.04 -0.22 0.32 -2.37 -1.84 0.00 0.00 175.26 171.11 2k4w n THR 27 N -0.96 0.00 0.29 1.83 5.66 -0.37 -1.92 114.28 118.81 2k4w n THR 27 Ca 0.08 -0.36 0.15 0.00 -3.05 0.00 0.00 64.05 60.87 2k4w n THR 27 Cb 0.54 0.37 0.89 0.00 -1.55 0.00 0.00 70.33 70.58 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 -0.64 1.09 4.11 -1.97 0.23 114.58 117.40 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 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k4w h GLU 28 CO 0.16 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.65 2k4w n GLY 29 N -1.35 2.20 7.00 1.06 0.00 -1.26 -5.03 105.19 107.82 2k4w n GLY 29 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.77 0.60 3.55 -0.02 0.00 0.07 -1.74 105.19 108.42 2k4w n GLY 30 Ca 0.19 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 3.23 -0.44 0.99 1.43 -0.59 -1.23 118.68 122.08 2k4w s LEU 31 Ca 0.00 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 2k4w s LEU 31 Cb 0.00 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.69 2k4w s LEU 31 CO 0.00 -2.03 1.18 -0.75 0.23 0.00 0.00 176.35 174.98 2k4w s LYS 32 N 6.15 3.76 -0.30 1.70 2.20 0.49 -0.90 119.74 132.83 2k4w s LYS 32 Ca 0.48 0.73 -0.20 0.00 -0.36 0.00 0.00 55.97 56.63 2k4w s LYS 32 Cb -0.09 -3.90 -0.01 0.00 -1.51 0.00 0.00 37.83 32.32 2k4w s LYS 32 CO 0.13 -1.33 0.61 0.12 -0.36 0.00 0.00 175.35 174.52 2k4w s PHE 33 N 4.50 3.22 -0.24 4.03 5.36 0.87 -1.11 117.98 134.61 2k4w s PHE 33 Ca 0.50 0.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 2k4w s PHE 33 Cb -0.09 -2.95 0.06 0.00 -0.34 0.00 0.00 43.02 39.69 2k4w s PHE 33 CO 0.29 -0.45 -0.08 0.99 -1.46 0.00 0.00 175.22 174.51 2k4w s THR 34 N 2.56 1.72 0.48 0.12 2.01 0.03 -1.07 115.64 121.48 2k4w s THR 34 Ca 0.24 -1.30 -0.08 0.00 0.31 0.00 0.00 61.69 60.86 2k4w s THR 34 Cb -0.15 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 2k4w s THR 34 CO 0.11 -0.04 0.82 -2.16 -0.69 0.00 0.00 174.62 172.66 2k4w s PRO 35 N 1.32 3.63 0.00 4.92 0.04 -1.26 -0.99 135.00 142.66 2k4w s PRO 35 Ca -0.06 0.38 0.13 0.00 0.04 0.00 0.00 61.00 61.49 2k4w s PRO 35 Cb -0.19 -2.33 0.22 0.00 0.04 0.00 0.00 34.50 32.24 2k4w s PRO 35 CO -0.06 -0.21 1.07 -2.39 0.04 0.00 0.00 177.00 175.45 2k4w n HIS 36 N -2.04 0.00 -3.63 0.56 1.44 -1.15 -4.10 115.22 106.31 2k4w n HIS 36 Ca 0.02 -0.47 -0.32 0.00 -2.01 0.00 0.00 57.72 54.94 2k4w n HIS 36 Cb 0.55 0.14 -0.05 0.00 0.12 0.00 0.00 29.99 30.75 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 0.00 4.28 -0.10 2.39 1.02 -1.06 -4.74 118.68 120.47 2k4w s LEU 37 Ca 0.17 0.67 0.13 0.00 0.02 0.00 0.00 54.13 55.13 2k4w s LEU 37 Cb 0.20 -3.26 0.26 0.00 0.02 0.00 0.00 46.19 43.41 2k4w s LEU 37 CO -0.09 0.07 1.13 2.29 0.02 0.00 0.00 176.35 179.77 2k4w n LYS 38 N 0.27 0.86 -2.80 1.70 2.85 -1.07 -1.04 118.16 118.94 2k4w n LYS 38 Ca -0.04 -2.27 -0.10 0.00 -1.05 0.00 0.00 58.31 54.86 2k4w n LYS 38 Cb 0.52 -1.09 0.04 0.00 -0.65 0.00 0.00 35.03 33.85 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 -0.77 -0.94 -2.19 0.58 0.00 -0.80 -4.69 120.51 111.69 2k4w n ALA 39 Ca 0.11 -1.63 -0.12 0.00 0.00 0.00 0.00 53.44 51.81 2k4w n ALA 39 Cb 0.73 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.88 2.43 0.11 0.00 1.02 -0.86 -5.02 118.68 115.48 2k4w s LEU 40 Ca 0.32 -1.04 -0.31 0.00 0.02 0.00 0.00 54.13 53.11 2k4w s LEU 40 Cb 0.23 -0.10 -0.09 0.00 0.02 0.00 0.00 46.19 46.25 2k4w s LEU 40 CO -0.22 -0.47 1.58 -2.16 0.02 0.00 0.00 176.35 175.10 2k4w s PRO 41 N -3.84 4.22 -0.09 1.29 0.04 -1.26 -4.36 135.00 130.99 2k4w s PRO 41 Ca 0.15 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2k4w s PRO 41 Cb 0.05 -3.37 0.11 0.00 0.04 0.00 0.00 34.50 31.33 2k4w s PRO 41 CO -0.02 -0.64 1.45 -0.35 0.04 0.00 0.00 177.00 177.47 2k4w n PRO 42 N 4.72 1.25 0.00 0.56 -0.04 -1.26 -4.68 135.00 135.55 2k4w n PRO 42 Ca 0.14 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 2k4w n PRO 42 Cb 0.40 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.50 0.81 3.10 0.55 0.00 -1.26 -4.07 105.19 104.82 2k4w n GLY 43 Ca 0.11 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2k4w n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4w s GLU 44 N 2.02 0.70 -0.04 1.61 -1.05 -1.26 -0.38 118.70 120.30 2k4w s GLU 44 Ca 0.00 -0.72 -0.02 0.00 -0.15 0.00 0.00 54.97 54.08 2k4w s GLU 44 Cb 0.00 -0.63 0.03 0.00 -0.44 0.00 0.00 34.13 33.10 2k4w s GLU 44 CO 0.00 0.14 0.07 -1.01 0.95 0.00 0.00 175.26 175.42 2k4w s HIS 45 N -1.02 0.01 0.77 4.83 3.76 -0.29 -3.63 115.29 119.71 2k4w s HIS 45 Ca -0.03 0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 55.02 2k4w s HIS 45 Cb -0.08 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.18 2k4w s HIS 45 CO 0.01 -0.18 0.27 0.41 -0.85 0.00 0.00 174.74 174.40 2k4w n GLY 46 N 5.01 -2.19 2.76 -2.22 0.00 -0.17 0.20 105.19 108.58 2k4w n GLY 46 Ca -0.10 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.01 1.06 0.25 1.61 5.36 -1.26 -0.81 117.98 122.20 2k4w s PHE 47 Ca 0.60 -0.77 0.11 0.00 -0.96 0.00 0.00 56.93 55.90 2k4w s PHE 47 Cb -0.32 -1.03 -0.05 0.00 -0.34 0.00 0.00 43.02 41.28 2k4w s PHE 47 CO 0.63 -0.56 -0.11 -1.01 -1.46 0.00 0.00 175.22 172.72 2k4w s HIS 48 N 1.84 2.51 0.10 10.12 3.76 -1.05 -1.27 115.29 131.29 2k4w s HIS 48 Ca 0.00 -0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 54.64 2k4w s HIS 48 Cb -0.16 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 2k4w s HIS 48 CO -0.07 0.63 0.26 0.42 -0.85 0.00 0.00 174.74 175.13 2k4w s ILE 49 N -2.26 5.34 0.11 0.60 1.01 -0.08 -1.38 121.20 124.54 2k4w s ILE 49 Ca 0.29 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.61 2k4w s ILE 49 Cb -0.06 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2k4w s ILE 49 CO 0.17 0.06 -0.15 -1.00 0.00 0.00 0.00 174.94 174.02 2k4w s HIS 50 N -1.60 1.40 0.44 3.97 3.76 -0.96 -3.50 115.29 118.80 2k4w s HIS 50 Ca 0.36 -0.53 0.10 0.00 -0.15 0.00 0.00 55.06 54.84 2k4w s HIS 50 Cb -0.12 -0.74 0.96 0.00 1.11 0.00 0.00 32.58 33.78 2k4w s HIS 50 CO 0.28 0.14 2.07 0.00 -0.85 0.00 0.00 174.74 176.37 2k4w h ALA 51 N 3.70 1.77 -2.14 -1.40 0.00 -1.54 -3.33 119.26 116.31 2k4w h ALA 51 Ca -0.41 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 53.86 2k4w h ALA 51 Cb 1.19 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 2k4w h ALA 51 CO 0.48 0.21 -0.73 -0.80 0.00 0.00 0.00 179.25 178.41 2k4w s ASN 52 N -6.80 3.73 -0.91 0.00 0.01 0.66 -4.69 114.94 106.93 2k4w s ASN 52 Ca -0.07 -1.03 -0.10 0.00 -0.71 0.00 0.00 52.86 50.95 2k4w s ASN 52 Cb 0.17 -0.37 0.23 0.00 0.41 0.00 0.00 41.25 41.70 2k4w s ASN 52 CO 0.72 -0.02 0.85 -0.83 -1.51 0.00 0.00 177.10 176.30 2k4w s GLY 53 N -3.55 2.87 -0.33 0.66 0.00 -0.43 -2.04 107.32 104.51 2k4w s GLY 53 Ca 0.31 -3.54 -0.05 0.00 0.00 0.00 0.00 44.72 41.44 2k4w s GLY 53 CO 0.16 1.26 0.93 -0.45 0.00 0.00 0.00 173.10 175.00 2k4w s SER 54 N 1.54 -0.70 0.00 1.64 0.15 -1.26 -4.89 113.70 110.17 2k4w s SER 54 Ca 0.23 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2k4w s SER 54 Cb -0.11 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2k4w s SER 54 CO -0.08 -0.10 0.23 0.00 1.20 0.00 0.00 173.24 174.49 2k4w s GLN 56 N -1.54 3.25 0.54 0.00 -1.52 -1.26 -4.48 119.66 114.65 2k4w s GLN 56 Ca 0.00 -0.46 -0.07 0.00 -1.95 0.00 0.00 55.36 52.88 2k4w s GLN 56 Cb 0.00 -2.96 -0.02 0.00 -0.22 0.00 0.00 33.01 29.81 2k4w s GLN 56 CO 0.00 0.63 0.87 -1.25 -0.25 0.00 0.00 175.29 175.29 2k4w s PRO 57 N -2.15 3.36 0.53 2.91 0.04 -1.26 -0.90 135.00 137.53 2k4w s PRO 57 Ca 0.29 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.57 2k4w s PRO 57 Cb -0.13 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.14 2k4w s PRO 57 CO 0.21 -0.43 0.79 0.00 0.04 0.00 0.00 177.00 177.61 2k4w s ALA 58 N -2.91 3.55 -0.28 8.56 0.00 -1.26 -4.85 121.76 124.57 2k4w s ALA 58 Ca 0.51 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 2k4w s ALA 58 Cb -0.11 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.68 2k4w s ALA 58 CO 0.47 -0.63 0.06 0.42 0.00 0.00 0.00 175.76 176.08 2k4w s ILE 59 N -2.78 3.82 -0.03 0.00 -1.09 -1.26 -0.33 121.20 119.53 2k4w s ILE 59 Ca 0.52 -0.70 -0.09 0.00 -2.23 0.00 0.00 60.65 58.15 2k4w s ILE 59 Cb -0.10 -2.95 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 2k4w s ILE 59 CO 0.41 0.12 0.20 -0.54 -1.23 0.00 0.00 174.94 173.91 2k4w s LYS 60 N 1.48 0.47 -1.26 2.79 3.01 -0.42 -4.94 119.74 120.87 2k4w s LYS 60 Ca 0.03 -0.14 -0.03 0.00 -1.01 0.00 0.00 55.97 54.81 2k4w s LYS 60 Cb -0.17 0.20 0.02 0.00 -1.01 0.00 0.00 37.83 36.87 2k4w s LYS 60 CO 0.01 -0.11 0.22 -3.47 0.51 0.00 0.00 175.35 172.51 2k4w n ASP 61 N 1.84 -4.38 0.00 2.83 2.03 -1.26 -1.07 116.55 116.54 2k4w n ASP 61 Ca -0.20 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.07 2k4w n ASP 61 Cb 0.56 -3.66 0.00 0.00 -0.72 0.00 0.00 41.12 37.31 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 -1.03 0.61 0.00 0.27 0.00 -1.26 -4.98 105.19 98.81 2k4w n GLY 62 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2k4w n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLN 63 N -2.40 0.00 -4.49 1.61 10.64 -0.23 -5.19 117.38 117.31 2k4w n GLN 63 Ca 0.00 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.96 2k4w n GLN 63 Cb 0.03 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.26 2k4w n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k4w s ALA 64 N -1.92 0.96 -1.55 2.61 0.00 -1.26 -1.30 121.76 119.30 2k4w s ALA 64 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 2k4w s ALA 64 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2k4w s ALA 64 CO 0.00 0.21 2.79 0.28 0.00 0.00 0.00 175.76 179.04 2k4w n VAL 65 N 2.95 4.47 0.00 0.00 0.31 0.55 -4.92 118.33 121.68 2k4w n VAL 65 Ca -0.15 -2.99 0.00 0.00 -0.01 0.00 0.00 64.34 61.19 2k4w n VAL 65 Cb 0.55 -2.50 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 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 3.35 0.00 -2.98 3.52 0.00 -1.26 -2.68 120.51 120.45 2k4w n ALA 66 Ca 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 54.14 2k4w n ALA 66 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.69 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w s ALA 67 N -1.00 -2.05 -0.13 0.00 0.00 -1.26 -3.94 121.76 113.38 2k4w s ALA 67 Ca 0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 2k4w s ALA 67 Cb 0.00 -2.67 -0.26 0.00 0.00 0.00 0.00 23.12 20.20 2k4w s ALA 67 CO 0.00 -2.22 0.57 1.49 0.00 0.00 0.00 175.76 175.60 2k4w h GLU 68 N 5.90 0.14 0.00 0.00 4.81 -0.80 -3.40 114.58 121.23 2k4w h GLU 68 Ca 0.06 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2k4w h GLU 68 Cb 1.13 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2k4w h GLU 68 CO 0.06 1.11 0.00 0.00 -0.73 0.00 0.00 179.01 179.46 2k4w n ALA 69 N -2.95 1.44 0.22 2.92 0.00 -0.67 -2.26 120.51 119.22 2k4w n ALA 69 Ca -0.22 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2k4w n ALA 69 Cb 0.74 -1.26 0.39 0.00 0.00 0.00 0.00 19.45 19.33 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 2.25 0.96 0.00 0.00 0.00 -1.34 -3.40 119.26 117.73 2k4w h ALA 70 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k4w h ALA 70 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k4w h ALA 70 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2k4w n GLY 71 N 0.43 -1.15 0.00 0.00 0.00 -0.96 -0.24 105.19 103.27 2k4w n GLY 71 Ca 0.01 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.26 0.40 1.32 -0.02 0.00 -1.26 -4.78 105.19 100.58 2k4w n GLY 72 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 0.00 -3.23 1.61 8.25 -1.26 -3.83 115.22 116.76 2k4w n HIS 73 Ca 0.00 -0.41 -0.16 0.00 -0.26 0.00 0.00 57.72 56.89 2k4w n HIS 73 Cb 0.00 -0.28 0.07 0.00 1.12 0.00 0.00 29.99 30.90 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 1.16 -3.42 -2.46 2.41 0.00 -1.23 -3.31 117.00 110.14 2k4w n LEU 74 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 56.01 55.38 2k4w n LEU 74 Cb 0.28 -2.56 0.02 0.00 0.00 0.00 0.00 43.42 41.16 2k4w n LEU 74 CO 0.00 0.39 0.08 -0.90 0.00 0.00 0.00 177.39 176.96 2k4w n ASP 75 N -2.46 3.44 0.27 1.96 5.75 -1.26 -4.46 116.55 119.79 2k4w n ASP 75 Ca -0.14 -3.16 0.16 0.00 -0.01 0.00 0.00 54.79 51.64 2k4w n ASP 75 Cb 0.60 -0.44 0.64 0.00 -1.03 0.00 0.00 41.12 40.89 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2k4w h PRO 76 N 2.55 0.00 -1.67 0.11 0.13 -1.99 -3.46 132.00 127.68 2k4w h PRO 76 Ca 0.15 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.32 2k4w h PRO 76 Cb 1.23 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.12 2k4w h PRO 76 CO 0.61 0.04 0.42 1.14 -0.23 0.00 0.00 178.00 179.98 2k4w s GLN 77 N -3.68 0.61 0.00 0.86 -2.07 -1.26 -5.05 119.66 109.08 2k4w s GLN 77 Ca 0.01 0.50 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 2k4w s GLN 77 Cb 0.09 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2k4w s GLN 77 CO 0.56 -0.12 0.00 0.09 -1.32 0.00 0.00 175.29 174.50 2k4w n ASN 78 N 1.79 0.00 0.00 12.60 3.02 -1.26 -4.91 115.26 126.50 2k4w n ASN 78 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2k4w n ASN 78 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2k4w n THR 79 N 0.00 0.00 0.00 3.41 5.66 -1.26 -4.73 114.28 117.35 2k4w n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k4w n THR 79 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 2.57 3.95 1.09 0.00 -1.26 -4.99 105.19 106.55 2k4w n GLY 80 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2k4w n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4w s LYS 81 N 0.00 1.93 -0.02 1.61 1.02 -1.26 -4.85 119.74 118.16 2k4w s LYS 81 Ca 0.00 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.51 2k4w s LYS 81 Cb 0.00 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2k4w s LYS 81 CO 0.00 -1.38 0.00 -1.58 -0.92 0.00 0.00 175.35 171.47 2k4w s HIS 82 N -3.26 3.09 0.12 3.18 5.65 -1.26 -1.59 115.29 121.22 2k4w s HIS 82 Ca 0.63 0.10 -0.02 0.00 0.25 0.00 0.00 55.06 56.02 2k4w s HIS 82 Cb -0.09 -1.69 0.01 0.00 -1.18 0.00 0.00 32.58 29.63 2k4w s HIS 82 CO 0.45 0.46 0.20 -0.85 -0.65 0.00 0.00 174.74 174.35 2k4w n GLU 83 N 1.52 0.28 0.04 2.88 -0.00 -1.26 -4.83 120.64 119.27 2k4w n GLU 83 Ca -0.15 -0.85 0.00 0.00 -0.00 0.00 0.00 57.16 56.16 2k4w n GLU 83 Cb 0.53 0.90 0.00 0.00 -0.00 0.00 0.00 31.44 32.86 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 -0.18 -0.63 0.01 -1.84 0.00 -1.26 -4.82 105.19 96.46 2k4w n GLY 84 Ca -0.01 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.71 0.59 0.00 1.61 -0.04 -1.26 -4.90 135.00 128.30 2k4w n PRO 85 Ca 0.00 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2k4w n PRO 85 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.12 0.00 0.00 0.54 0.28 -1.26 -5.17 120.64 112.92 2k4w n GLU 86 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2k4w n GLU 86 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 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 2.51 2.92 -1.84 0.00 -1.26 -5.15 105.19 102.37 2k4w n GLY 87 Ca 0.00 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 2k4w n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k4w s GLN 88 N 3.61 0.50 0.00 1.61 -1.52 -1.26 -5.00 119.66 117.60 2k4w s GLN 88 Ca 0.00 -0.12 0.00 0.00 -1.95 0.00 0.00 55.36 53.29 2k4w s GLN 88 Cb 0.00 -0.52 0.00 0.00 -0.22 0.00 0.00 33.01 32.27 2k4w s GLN 88 CO 0.00 0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.48 2k4w n GLY 89 N 3.40 -0.51 3.76 3.09 0.00 -1.26 -4.44 105.19 109.23 2k4w n GLY 89 Ca -0.18 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.23 2.74 -0.82 1.61 3.76 -0.62 -4.80 115.29 113.94 2k4w s HIS 90 Ca 0.00 0.95 0.21 0.00 -0.15 0.00 0.00 55.06 56.06 2k4w s HIS 90 Cb 0.00 -4.01 0.85 0.00 1.11 0.00 0.00 32.58 30.53 2k4w s HIS 90 CO 0.00 -3.25 1.65 1.47 -0.85 0.00 0.00 174.74 173.76 2k4w n LEU 91 N 1.63 0.29 -0.45 0.89 -0.00 -1.26 -3.62 117.00 114.48 2k4w n LEU 91 Ca 0.06 0.56 0.01 0.00 -0.00 0.00 0.00 56.01 56.64 2k4w n LEU 91 Cb 0.38 -0.50 0.06 0.00 -0.00 0.00 0.00 43.42 43.36 2k4w n LEU 91 CO 0.63 -0.29 0.45 0.61 -0.00 0.00 0.00 177.39 178.79 2k4w n GLY 92 N 0.39 0.58 3.58 1.47 0.00 -1.21 -4.86 105.19 105.14 2k4w n GLY 92 Ca 0.04 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.58 5.14 0.30 1.61 1.01 -1.24 -0.90 116.67 122.01 2k4w s ASP 93 Ca 0.08 -0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.36 2k4w s ASP 93 Cb 0.05 -1.78 -0.06 0.00 1.01 0.00 0.00 42.92 42.15 2k4w s ASP 93 CO 0.04 0.21 0.08 -0.76 0.21 0.00 0.00 175.17 174.95 2k4w s LEU 94 N 0.11 1.90 0.48 1.23 1.02 -0.40 -4.92 118.68 118.10 2k4w s LEU 94 Ca 0.01 -1.40 -0.18 0.00 0.02 0.00 0.00 54.13 52.58 2k4w s LEU 94 Cb -0.13 -0.16 -0.09 0.00 0.02 0.00 0.00 46.19 45.83 2k4w s LEU 94 CO 0.02 -0.69 0.97 -2.16 0.02 0.00 0.00 176.35 174.51 2k4w s PRO 95 N -3.95 4.04 0.18 1.29 0.04 -1.26 -4.20 135.00 131.14 2k4w s PRO 95 Ca 0.37 1.00 -0.32 0.00 0.04 0.00 0.00 61.00 62.08 2k4w s PRO 95 Cb 0.08 -2.16 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 2k4w s PRO 95 CO 0.15 -0.18 1.73 0.08 0.04 0.00 0.00 177.00 178.82 2k4w s VAL 96 N -2.46 2.24 -1.17 -0.36 1.01 -1.26 -4.37 120.40 114.03 2k4w s VAL 96 Ca 0.60 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.45 2k4w s VAL 96 Cb -0.10 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2k4w s VAL 96 CO 0.25 0.00 1.85 -0.22 0.00 0.00 0.00 175.10 176.98 2k4w s LEU 97 N 1.58 3.32 0.36 3.92 1.98 0.13 -4.84 118.68 125.14 2k4w s LEU 97 Ca 0.76 -1.74 -0.27 0.00 -2.89 0.00 0.00 54.13 49.98 2k4w s LEU 97 Cb -0.48 -2.58 -0.10 0.00 0.66 0.00 0.00 46.19 43.69 2k4w s LEU 97 CO 0.33 -2.39 1.30 -0.69 -1.89 0.00 0.00 176.35 173.01 2k4w s VAL 98 N 8.57 2.68 0.11 1.68 1.01 -1.26 -1.14 120.40 132.06 2k4w s VAL 98 Ca 0.63 0.65 0.08 0.00 0.00 0.00 0.00 61.98 63.35 2k4w s VAL 98 Cb -0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2k4w s VAL 98 CO 0.08 0.13 -0.21 -0.69 0.00 0.00 0.00 175.10 174.42 2k4w s VAL 99 N -1.20 1.74 0.10 2.92 1.01 0.48 -4.81 120.40 120.65 2k4w s VAL 99 Ca 0.52 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 2k4w s VAL 99 Cb -0.39 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 2k4w s VAL 99 CO 0.51 -0.09 0.49 0.21 0.00 0.00 0.00 175.10 176.22 2k4w s ASN 100 N -2.02 6.81 0.00 3.32 2.47 -0.69 -4.33 114.94 120.50 2k4w s ASN 100 Ca 0.08 1.02 0.00 0.00 0.42 0.00 0.00 52.86 54.38 2k4w s ASN 100 Cb -0.09 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 2k4w s ASN 100 CO 0.05 0.18 0.00 0.59 -3.72 0.00 0.00 177.10 174.20 2k4w n ASN 101 N 1.12 0.00 0.16 -4.21 3.02 -1.26 -0.96 115.26 113.13 2k4w n ASN 101 Ca -0.08 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.48 2k4w n ASN 101 Cb 0.52 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.93 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2k4w h ASP 102 N 0.00 0.00 0.00 6.41 3.58 -1.94 -3.45 116.42 121.02 2k4w h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k4w h ASP 102 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k4w h ASP 102 CO 0.00 0.53 0.00 0.61 -2.88 0.00 0.00 179.24 177.50 2k4w n GLY 103 N 0.09 1.68 3.22 -0.78 0.00 -0.13 -4.99 105.19 104.28 2k4w n GLY 103 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 1.88 -0.18 -0.61 1.01 -1.18 -1.91 121.20 118.21 2k4w s ILE 104 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 2k4w s ILE 104 Cb 0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2k4w s ILE 104 CO 0.00 0.52 0.08 0.00 0.00 0.00 0.00 174.94 175.55 2k4w s ALA 105 N 0.02 3.51 0.00 9.38 0.00 -0.20 -1.70 121.76 132.76 2k4w s ALA 105 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2k4w s ALA 105 Cb -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2k4w s ALA 105 CO 0.04 0.22 0.08 -2.37 0.00 0.00 0.00 175.76 173.73 2k4w n THR 106 N 3.37 0.00 -3.91 0.00 5.66 -1.26 -2.56 114.28 115.59 2k4w n THR 106 Ca -0.17 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.47 2k4w n THR 106 Cb 0.52 0.60 -0.07 0.00 -1.55 0.00 0.00 70.33 69.84 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 3.61 0.45 1.09 0.41 -1.26 -4.77 118.70 118.22 2k4w s GLU 107 Ca 0.00 -0.19 -0.23 0.00 -0.41 0.00 0.00 54.97 54.14 2k4w s GLU 107 Cb 0.00 -3.20 -0.08 0.00 -1.78 0.00 0.00 34.13 29.07 2k4w s GLU 107 CO 0.00 0.62 1.11 -1.25 -0.49 0.00 0.00 175.26 175.26 2k4w s PRO 108 N -0.59 3.88 0.10 0.39 0.04 -1.26 -4.31 135.00 133.25 2k4w s PRO 108 Ca 0.12 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.81 2k4w s PRO 108 Cb -0.12 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2k4w s PRO 108 CO 0.02 -0.41 -0.03 0.14 0.04 0.00 0.00 177.00 176.75 2k4w s VAL 109 N -1.64 0.52 -0.01 -0.36 -7.23 -0.23 -5.02 120.40 106.42 2k4w s VAL 109 Ca 0.62 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2k4w s VAL 109 Cb -0.25 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2k4w s VAL 109 CO 0.30 -0.80 0.01 -0.89 -0.31 0.00 0.00 175.10 173.40 2k4w s THR 110 N -3.74 0.05 -0.33 5.32 2.01 -1.26 -0.09 115.64 117.59 2k4w s THR 110 Ca 0.14 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2k4w s THR 110 Cb 0.06 -0.11 0.08 0.00 0.01 0.00 0.00 72.50 72.54 2k4w s THR 110 CO -0.04 0.07 0.03 0.00 -0.69 0.00 0.00 174.62 173.99 2k4w s ALA 111 N 0.53 2.86 -1.69 7.40 0.00 -0.08 -4.90 121.76 125.87 2k4w s ALA 111 Ca -0.05 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2k4w s ALA 111 Cb -0.07 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2k4w s ALA 111 CO -0.01 -1.48 0.54 -0.35 0.00 0.00 0.00 175.76 174.46 2k4w n PRO 112 N 4.48 0.64 -0.23 0.00 -0.04 -0.71 -1.54 135.00 137.60 2k4w n PRO 112 Ca -0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 2k4w n PRO 112 Cb 0.42 -1.10 0.04 0.00 -0.04 0.00 0.00 33.50 32.82 2k4w n PRO 112 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2k4w h ARG 113 N 0.11 1.02 -6.43 0.54 9.65 -1.93 -3.42 114.38 113.92 2k4w h ARG 113 Ca 0.00 -0.23 -0.64 0.00 -1.10 0.00 0.00 59.98 58.01 2k4w h ARG 113 Cb 0.10 -0.14 -0.13 0.00 -1.39 0.00 0.00 29.97 28.40 2k4w h ARG 113 CO 0.00 0.90 -0.70 -0.51 2.80 0.00 0.00 179.97 182.47 2k4w s LEU 114 N -9.61 3.22 -0.00 3.80 1.02 -1.25 -5.08 118.68 110.78 2k4w s LEU 114 Ca -0.12 -0.35 0.21 0.00 0.02 0.00 0.00 54.13 53.88 2k4w s LEU 114 Cb 0.14 -1.95 -0.24 0.00 0.02 0.00 0.00 46.19 44.16 2k4w s LEU 114 CO 0.82 0.14 0.57 0.29 0.02 0.00 0.00 176.35 178.19 2k4w n LYS 115 N 0.37 0.65 -3.74 1.70 4.01 -1.26 -3.89 118.16 115.99 2k4w n LYS 115 Ca -0.11 -0.06 -0.10 0.00 -0.51 0.00 0.00 58.31 57.52 2k4w n LYS 115 Cb 0.53 -1.61 -0.06 0.00 -0.51 0.00 0.00 35.03 33.39 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2k4w s SER 116 N -4.96 -0.10 0.50 4.39 1.04 -1.26 -4.63 113.70 108.69 2k4w s SER 116 Ca -0.06 -0.49 0.15 0.00 0.48 0.00 0.00 55.95 56.04 2k4w s SER 116 Cb 0.11 0.44 1.22 0.00 0.10 0.00 0.00 66.02 67.89 2k4w s SER 116 CO 0.86 -0.83 2.12 0.25 0.98 0.00 0.00 173.24 176.62 2k4w h LEU 117 N 2.49 0.08 0.00 2.42 5.85 -1.95 -2.70 115.31 121.50 2k4w h LEU 117 Ca -0.33 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2k4w h LEU 117 Cb 1.24 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2k4w h LEU 117 CO 0.49 0.05 0.00 -0.67 -0.34 0.00 0.00 178.44 177.98 2k4w n ASP 118 N -4.51 0.00 0.01 1.25 2.03 -1.26 -1.57 116.55 112.49 2k4w n ASP 118 Ca -0.01 -0.13 0.11 0.00 0.52 0.00 0.00 54.79 55.29 2k4w n ASP 118 Cb 0.14 -0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2k4w n ASP 118 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k4w n GLU 119 N -1.14 0.20 -0.07 -0.67 1.02 -1.02 -4.52 120.64 114.45 2k4w n GLU 119 Ca 0.07 -0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2k4w n GLU 119 Cb 0.06 -1.54 0.07 0.00 -0.02 0.00 0.00 31.44 30.01 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2k4w n VAL 120 N -1.78 0.78 0.10 2.62 0.24 -0.61 -4.81 118.33 114.87 2k4w n VAL 120 Ca 0.02 -0.89 0.06 0.00 -2.04 0.00 0.00 64.34 61.49 2k4w n VAL 120 Cb 0.40 0.63 0.32 0.00 -1.47 0.00 0.00 33.84 33.73 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 0.09 0.08 -0.10 7.34 2.85 -1.24 -2.06 118.16 125.12 2k4w n LYS 121 Ca 0.05 0.57 0.07 0.00 -1.05 0.00 0.00 58.31 57.95 2k4w n LYS 121 Cb 0.30 -1.75 0.12 0.00 -0.65 0.00 0.00 35.03 33.05 2k4w n LYS 121 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k4w n ASP 122 N -1.91 2.47 -3.02 -5.58 5.75 -1.26 -4.06 116.55 108.95 2k4w n ASP 122 Ca -0.01 -2.73 -0.13 0.00 -0.01 0.00 0.00 54.79 51.92 2k4w n ASP 122 Cb 0.03 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 2k4w n ASP 122 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2k4w n LYS 123 N -0.96 1.42 -4.18 0.11 5.02 -0.87 -1.31 118.16 117.38 2k4w n LYS 123 Ca 0.12 -1.50 -0.14 0.00 -2.02 0.00 0.00 58.31 54.78 2k4w n LYS 123 Cb 0.55 0.44 -0.11 0.00 -0.02 0.00 0.00 35.03 35.90 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 -2.37 1.11 -0.11 7.82 0.00 -0.87 -0.97 121.76 126.38 2k4w s ALA 124 Ca 0.01 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.76 2k4w s ALA 124 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2k4w s ALA 124 CO 0.01 -0.08 -0.21 -0.51 0.00 0.00 0.00 175.76 174.97 2k4w s LEU 125 N -2.61 2.27 -0.13 0.00 1.02 -0.57 -2.26 118.68 116.41 2k4w s LEU 125 Ca 0.07 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 53.75 2k4w s LEU 125 Cb -0.01 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.73 2k4w s LEU 125 CO -0.01 0.16 -0.18 -0.04 0.02 0.00 0.00 176.35 176.31 2k4w s MET 126 N 0.34 3.21 -0.59 1.70 -1.94 -0.48 -0.99 119.30 120.56 2k4w s MET 126 Ca -0.17 -0.78 -0.23 0.00 -1.71 0.00 0.00 55.69 52.81 2k4w s MET 126 Cb -0.17 -2.50 0.05 0.00 2.01 0.00 0.00 34.83 34.22 2k4w s MET 126 CO 0.08 0.15 0.91 0.42 -0.01 0.00 0.00 175.02 176.57 2k4w s ILE 127 N 0.47 4.43 0.23 2.53 1.01 -0.00 -2.53 121.20 127.33 2k4w s ILE 127 Ca -0.12 -0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 2k4w s ILE 127 Cb -0.16 -4.56 -0.08 0.00 0.01 0.00 0.00 42.46 37.66 2k4w s ILE 127 CO 0.05 -1.21 0.68 -1.00 0.00 0.00 0.00 174.94 173.46 2k4w s HIS 128 N 3.82 3.57 0.42 3.97 3.76 0.01 -0.66 115.29 130.18 2k4w s HIS 128 Ca 0.25 1.25 0.13 0.00 -0.15 0.00 0.00 55.06 56.54 2k4w s HIS 128 Cb -0.15 -2.53 0.90 0.00 1.11 0.00 0.00 32.58 31.91 2k4w s HIS 128 CO 0.15 0.30 1.94 0.28 -0.85 0.00 0.00 174.74 176.56 2k4w h VAL 129 N 2.54 1.17 -3.89 -0.90 2.07 -0.87 -3.06 116.25 113.31 2k4w h VAL 129 Ca -0.48 -0.80 -0.69 0.00 0.82 0.00 0.00 66.70 65.55 2k4w h VAL 129 Cb 1.19 1.40 -0.21 0.00 -1.52 0.00 0.00 31.29 32.14 2k4w h VAL 129 CO 0.66 0.23 -0.85 -0.83 0.02 0.00 0.00 177.57 176.79 2k4w s GLY 130 N -4.19 1.60 0.62 2.17 0.00 -1.26 -4.74 107.32 101.51 2k4w s GLY 130 Ca -0.04 -1.43 -0.18 0.00 0.00 0.00 0.00 44.72 43.07 2k4w s GLY 130 CO 0.71 -1.41 0.81 0.61 0.00 0.00 0.00 173.10 173.82 2k4w n GLY 131 N 0.94 -0.76 0.93 0.20 0.00 -1.24 -1.00 105.19 104.27 2k4w n GLY 131 Ca -0.17 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.49 2.95 -0.02 1.61 -0.08 -1.26 -4.37 116.55 114.89 2k4w n ASP 132 Ca 0.13 -1.95 0.14 0.00 -1.51 0.00 0.00 54.79 51.60 2k4w n ASP 132 Cb 0.48 -0.03 0.65 0.00 2.34 0.00 0.00 41.12 44.56 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 1.30 0.12 -4.57 1.67 6.94 -1.26 -4.77 115.26 114.69 2k4w n ASN 133 Ca 0.14 -0.02 -0.43 0.00 -0.02 0.00 0.00 54.58 54.25 2k4w n ASN 133 Cb 0.57 -0.28 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 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 -2.73 3.54 0.00 -3.83 -1.94 -1.26 -4.80 119.30 108.28 2k4w s MET 134 Ca 0.23 0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 2k4w s MET 134 Cb 0.20 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 33.10 2k4w s MET 134 CO 0.50 -1.27 0.00 0.45 -0.01 0.00 0.00 175.02 174.70 2k4w n SER 135 N 7.29 0.28 -4.55 3.03 2.88 -1.26 -0.77 113.62 120.52 2k4w n SER 135 Ca 0.07 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.18 2k4w n SER 135 Cb 0.49 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2k4w n SER 135 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k4w s ASP 136 N -4.14 6.88 0.00 -3.46 -1.08 -1.26 -4.70 116.67 108.91 2k4w s ASP 136 Ca 0.00 -2.53 0.00 0.00 -0.52 0.00 0.00 52.55 49.50 2k4w s ASP 136 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 2k4w s ASP 136 CO 0.00 -1.08 0.00 0.00 0.52 0.00 0.00 175.17 174.61 2k4w n GLN 137 N 7.75 0.00 0.22 4.34 10.64 -1.26 -5.08 117.38 133.99 2k4w n GLN 137 Ca 0.45 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.69 2k4w n GLN 137 Cb 0.45 0.00 0.52 0.00 -0.86 0.00 0.00 30.24 30.35 2k4w n GLN 137 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 2k4w h PRO 138 N 0.00 0.00 -3.54 2.61 0.13 -2.02 -3.09 132.00 126.09 2k4w h PRO 138 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 2k4w h PRO 138 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 2k4w h PRO 138 CO 0.00 0.24 -0.21 0.15 -0.23 0.00 0.00 178.00 177.95 2k4w s LYS 139 N -4.21 2.93 1.04 0.86 -0.14 -1.26 -5.11 119.74 113.85 2k4w s LYS 139 Ca -0.03 -2.72 -0.12 0.00 -1.36 0.00 0.00 55.97 51.74 2k4w s LYS 139 Cb 0.14 -3.91 0.21 0.00 -1.68 0.00 0.00 37.83 32.59 2k4w s LYS 139 CO 0.66 -1.22 1.08 -1.25 -0.76 0.00 0.00 175.35 173.87 2k4w s PRO 140 N -0.37 0.13 0.00 -1.68 0.04 -1.17 -3.76 135.00 128.19 2k4w s PRO 140 Ca 0.20 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2k4w s PRO 140 Cb -0.15 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2k4w s PRO 140 CO -0.06 -2.96 0.00 1.28 0.04 0.00 0.00 177.00 175.30 2k4w n LEU 141 N -4.35 0.69 -1.16 -3.56 4.77 0.05 -3.20 117.00 110.23 2k4w n LEU 141 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2k4w n LEU 141 Cb 0.56 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 2k4w n LEU 141 CO 0.57 -0.55 -0.13 0.61 -1.33 0.00 0.00 177.39 176.56 2k4w n GLY 142 N -0.95 0.32 1.56 -0.72 0.00 -1.25 -1.01 105.19 103.14 2k4w n GLY 142 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.19 1.51 0.62 -0.02 0.00 -1.19 -4.96 105.19 99.96 2k4w n GLY 143 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.88 0.28 -0.02 0.00 -0.18 -3.42 105.19 100.72 2k4w n GLY 144 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2k4w n GLY 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 145 N 3.16 0.00 -1.55 -0.02 0.00 -1.81 -3.24 103.07 99.62 2k4w h GLY 145 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2k4w h GLY 145 CO 0.00 0.00 0.34 -0.51 0.00 0.00 0.00 176.54 176.37 2k4w s THR 146 N -3.74 2.68 -0.01 4.70 -4.23 -1.22 -4.91 115.64 108.91 2k4w s THR 146 Ca 0.00 0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 2k4w s THR 146 Cb 0.10 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2k4w s THR 146 CO 0.55 -0.23 -0.04 0.00 -0.54 0.00 0.00 174.62 174.35 2k4w s ARG 147 N -4.32 0.43 0.02 3.99 3.03 -1.26 -0.60 118.95 120.23 2k4w s ARG 147 Ca 0.68 -0.14 -0.08 0.00 2.03 0.00 0.00 55.73 58.22 2k4w s ARG 147 Cb -0.23 -0.44 -0.31 0.00 -1.03 0.00 0.00 34.95 32.94 2k4w s ARG 147 CO 0.49 0.06 0.93 -0.92 -1.13 0.00 0.00 175.30 174.73 2k4w h TYR 148 N 6.30 0.66 -3.27 5.89 3.20 -1.12 -3.43 116.97 125.19 2k4w h TYR 148 Ca -0.31 -0.48 -0.13 0.00 3.14 0.00 0.00 58.73 60.95 2k4w h TYR 148 Cb 1.18 -0.03 -0.21 0.00 1.54 0.00 0.00 36.73 39.22 2k4w h TYR 148 CO 0.43 1.46 -0.39 0.00 -1.64 0.00 0.00 178.16 178.03 2k4w s ALA 149 N -2.61 -0.56 0.05 1.82 0.00 -1.22 -1.55 121.76 117.69 2k4w s ALA 149 Ca -0.09 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.05 2k4w s ALA 149 Cb 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2k4w s ALA 149 CO 0.89 -0.23 -0.16 0.00 0.00 0.00 0.00 175.76 176.25 2k4w s GLY 151 N -1.33 1.49 0.35 0.00 0.00 -0.16 -1.48 107.32 106.18 2k4w s GLY 151 Ca 0.03 -2.41 -0.28 0.00 0.00 0.00 0.00 44.72 42.05 2k4w s GLY 151 CO 0.02 1.64 1.35 0.54 0.00 0.00 0.00 173.10 176.65 2k4w s VAL 152 N 0.55 2.55 0.12 1.40 0.11 -1.26 -1.51 120.40 122.36 2k4w s VAL 152 Ca 0.17 0.55 0.06 0.00 -2.93 0.00 0.00 61.98 59.84 2k4w s VAL 152 Cb -0.24 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2k4w s VAL 152 CO -0.01 0.13 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.23 2k4w s ILE 153 N -1.14 3.72 -2.84 7.04 1.01 -0.14 -4.63 121.20 124.22 2k4w s ILE 153 Ca 0.50 -1.22 0.23 0.00 0.00 0.00 0.00 60.65 60.16 2k4w s ILE 153 Cb -0.41 -2.80 0.18 0.00 0.01 0.00 0.00 42.46 39.44 2k4w s ILE 153 CO 0.55 0.04 1.22 0.29 0.00 0.00 0.00 174.94 177.05