#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 0.88 -0.24 0.00 0.01 -1.26 -0.27 113.70 112.82 2k4w s SER 2 Ca 0.00 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 56.61 2k4w s SER 2 Cb 0.00 0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.36 2k4w s SER 2 CO 0.00 -0.20 0.53 -0.70 0.41 0.00 0.00 173.24 173.28 2k4w s GLU 3 N -1.59 0.48 -0.36 12.44 2.56 0.13 -4.99 118.70 127.36 2k4w s GLU 3 Ca -0.10 1.14 -0.07 0.00 0.00 0.00 0.00 54.97 55.95 2k4w s GLU 3 Cb -0.10 0.38 0.05 0.00 2.00 0.00 0.00 34.13 36.46 2k4w s GLU 3 CO 0.00 -0.20 0.15 0.21 -0.56 0.00 0.00 175.26 174.86 2k4w s LYS 4 N 2.27 2.59 -0.22 4.30 2.20 -1.26 -0.71 119.74 128.91 2k4w s LYS 4 Ca -0.06 -1.27 -0.09 0.00 -0.36 0.00 0.00 55.97 54.19 2k4w s LYS 4 Cb -0.10 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2k4w s LYS 4 CO -0.16 -0.75 0.11 0.08 -0.36 0.00 0.00 175.35 174.27 2k4w s VAL 5 N 1.40 5.02 -0.28 4.02 1.01 0.26 -4.91 120.40 126.91 2k4w s VAL 5 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 2k4w s VAL 5 Cb -0.20 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2k4w s VAL 5 CO 0.02 0.39 1.58 -0.83 0.00 0.00 0.00 175.10 176.26 2k4w s GLY 6 N 0.85 1.15 -0.37 4.51 0.00 -1.26 -1.31 107.32 110.88 2k4w s GLY 6 Ca 0.06 0.30 -0.16 0.00 0.00 0.00 0.00 44.72 44.92 2k4w s GLY 6 CO 0.03 2.96 0.38 1.06 0.00 0.00 0.00 173.10 177.53 2k4w s MET 7 N 4.82 3.36 0.06 2.90 -1.94 -1.18 -4.29 119.30 123.03 2k4w s MET 7 Ca 0.69 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 54.10 2k4w s MET 7 Cb -0.22 -3.87 -0.04 0.00 2.01 0.00 0.00 34.83 32.71 2k4w s MET 7 CO 0.30 -0.65 0.15 1.21 -0.01 0.00 0.00 175.02 176.02 2k4w s ASN 8 N 1.75 6.03 -1.22 3.03 3.84 -0.28 -4.29 114.94 123.80 2k4w s ASN 8 Ca 0.11 0.17 -0.10 0.00 0.21 0.00 0.00 52.86 53.25 2k4w s ASN 8 Cb -0.17 -1.77 -0.07 0.00 -0.55 0.00 0.00 41.25 38.69 2k4w s ASN 8 CO 0.12 0.18 2.42 0.18 -2.79 0.00 0.00 177.10 177.22 2k4w n LEU 9 N 0.43 6.49 -4.78 3.21 4.77 -0.15 -2.16 117.00 124.80 2k4w n LEU 9 Ca -0.07 -3.57 -0.36 0.00 -0.03 0.00 0.00 56.01 51.98 2k4w n LEU 9 Cb 0.51 -1.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 2k4w n LEU 9 CO 0.48 1.12 0.77 0.68 -1.33 0.00 0.00 177.39 179.11 2k4w s VAL 10 N 3.08 3.43 -0.30 4.08 -7.23 -1.26 -3.66 120.40 118.55 2k4w s VAL 10 Ca 0.53 1.02 -0.20 0.00 -1.81 0.00 0.00 61.98 61.52 2k4w s VAL 10 Cb 0.14 -3.49 0.19 0.00 0.56 0.00 0.00 36.38 33.78 2k4w s VAL 10 CO -0.03 -0.07 1.31 0.28 -0.31 0.00 0.00 175.10 176.27 2k4w s THR 11 N -1.70 0.00 0.00 5.32 -1.32 -0.64 -4.67 115.64 112.63 2k4w s THR 11 Ca 0.64 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 2k4w s THR 11 Cb -0.24 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 2k4w s THR 11 CO 0.28 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.69 2k4w n ALA 12 N 2.43 0.00 -0.36 11.08 0.00 -1.26 -3.59 120.51 128.81 2k4w n ALA 12 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.39 2k4w n ALA 12 Cb 0.57 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 2.93 0.00 0.00 3.00 -1.26 -4.66 117.38 117.39 2k4w n GLN 13 Ca 0.00 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.53 2k4w n GLN 13 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.73 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 1.03 0.64 3.74 1.08 0.00 -1.24 -4.89 105.19 105.55 2k4w n GLY 14 Ca 0.19 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 2.40 0.00 1.61 1.01 -1.26 -1.62 120.40 122.54 2k4w s VAL 15 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2k4w s VAL 15 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2k4w s VAL 15 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2k4w n GLY 16 N 2.32 -0.07 3.48 4.51 0.00 -1.24 -4.90 105.19 109.30 2k4w n GLY 16 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 0.98 0.02 1.61 -2.07 -1.26 -4.96 119.66 113.98 2k4w s GLN 17 Ca 0.00 -0.27 -0.05 0.00 -1.82 0.00 0.00 55.36 53.21 2k4w s GLN 17 Cb 0.00 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.33 2k4w s GLN 17 CO 0.00 -0.41 0.26 0.45 -1.32 0.00 0.00 175.29 174.27 2k4w s SER 18 N -2.35 6.47 0.00 12.60 0.15 -1.26 -0.98 113.70 128.33 2k4w s SER 18 Ca 0.02 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2k4w s SER 18 Cb -0.01 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2k4w s SER 18 CO -0.08 0.24 0.15 2.30 1.20 0.00 0.00 173.24 177.05 2k4w n ILE 19 N 0.98 0.00 0.00 6.45 -5.35 -1.26 -4.99 119.36 115.19 2k4w n ILE 19 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2k4w n ILE 19 Cb 0.53 1.41 0.00 0.00 -1.74 0.00 0.00 39.64 39.83 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 -0.49 3.49 3.28 0.00 -1.26 -3.76 105.19 106.45 2k4w n GLY 20 Ca 0.00 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 0.51 -0.04 2.61 -4.23 -1.24 -3.07 115.64 108.18 2k4w s THR 21 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2k4w s THR 21 Cb 0.00 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.50 2k4w s THR 21 CO 0.00 0.00 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.29 2k4w s VAL 22 N -3.23 0.90 -0.14 2.29 1.01 -0.43 -1.92 120.40 118.88 2k4w s VAL 22 Ca 0.25 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 2k4w s VAL 22 Cb 0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2k4w s VAL 22 CO 0.16 0.28 0.54 0.54 0.00 0.00 0.00 175.10 176.62 2k4w s VAL 23 N 0.34 5.13 -0.13 2.92 0.11 -0.05 -0.58 120.40 128.14 2k4w s VAL 23 Ca -0.06 1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.99 2k4w s VAL 23 Cb -0.11 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2k4w s VAL 23 CO 0.01 0.25 0.08 -0.63 -3.33 0.00 0.00 175.10 171.49 2k4w s ILE 24 N 1.05 5.00 -0.14 7.04 1.01 0.12 -0.77 121.20 134.51 2k4w s ILE 24 Ca 0.28 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 2k4w s ILE 24 Cb -0.16 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 39.19 2k4w s ILE 24 CO 0.11 0.56 0.13 -0.62 0.00 0.00 0.00 174.94 175.13 2k4w s ASP 25 N -0.53 1.61 0.57 3.58 2.15 -0.14 -0.70 116.67 123.22 2k4w s ASP 25 Ca 0.11 -0.23 -0.17 0.00 0.43 0.00 0.00 52.55 52.70 2k4w s ASP 25 Cb -0.12 0.03 -0.04 0.00 -0.30 0.00 0.00 42.92 42.48 2k4w s ASP 25 CO 0.02 -0.31 1.06 -1.83 -0.17 0.00 0.00 175.17 173.94 2k4w s GLU 26 N 2.22 3.37 0.16 4.34 4.04 0.63 -0.49 118.70 132.97 2k4w s GLU 26 Ca 0.04 1.27 -0.16 0.00 0.04 0.00 0.00 54.97 56.16 2k4w s GLU 26 Cb -0.15 -2.04 0.06 0.00 0.02 0.00 0.00 34.13 32.03 2k4w s GLU 26 CO -0.08 -0.77 0.78 -2.37 -1.84 0.00 0.00 175.26 170.98 2k4w n THR 27 N -1.81 0.00 -0.34 1.83 5.66 -1.11 -0.89 114.28 117.62 2k4w n THR 27 Ca 0.09 -0.47 0.09 0.00 -3.05 0.00 0.00 64.05 60.70 2k4w n THR 27 Cb 0.53 0.62 0.25 0.00 -1.55 0.00 0.00 70.33 70.18 2k4w n THR 27 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2k4w h GLU 28 N 0.00 0.81 -0.57 1.09 4.81 -1.97 0.11 114.58 118.85 2k4w h GLU 28 Ca -0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2k4w h GLU 28 Cb 0.94 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2k4w h GLU 28 CO 0.29 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.51 2k4w n GLY 29 N -1.33 1.27 7.00 1.92 0.00 -1.26 -5.00 105.19 107.79 2k4w n GLY 29 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.60 -0.38 3.57 -0.02 0.00 0.38 -1.93 105.19 107.41 2k4w n GLY 30 Ca 0.11 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 3.40 -0.47 0.99 1.43 -0.59 -2.75 118.68 120.70 2k4w s LEU 31 Ca 0.00 1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.83 2k4w s LEU 31 Cb 0.00 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 43.30 2k4w s LEU 31 CO 0.00 -2.25 1.13 -0.75 0.23 0.00 0.00 176.35 174.71 2k4w s LYS 32 N 6.84 3.74 -0.34 1.70 2.20 0.35 -1.10 119.74 133.13 2k4w s LYS 32 Ca 0.83 0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 56.90 2k4w s LYS 32 Cb -0.19 -3.90 -0.01 0.00 -1.51 0.00 0.00 37.83 32.22 2k4w s LYS 32 CO 0.28 -1.35 0.23 0.12 -0.36 0.00 0.00 175.35 174.26 2k4w s PHE 33 N 4.40 3.22 -0.24 4.03 5.36 0.90 -0.97 117.98 134.69 2k4w s PHE 33 Ca 0.48 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.14 2k4w s PHE 33 Cb -0.07 -2.46 0.06 0.00 -0.34 0.00 0.00 43.02 40.20 2k4w s PHE 33 CO 0.31 -0.40 -0.09 0.99 -1.46 0.00 0.00 175.22 174.57 2k4w s THR 34 N 1.70 1.85 0.52 0.12 2.01 0.05 -1.19 115.64 120.69 2k4w s THR 34 Ca 0.06 -1.36 -0.09 0.00 0.31 0.00 0.00 61.69 60.61 2k4w s THR 34 Cb -0.17 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2k4w s THR 34 CO 0.10 0.00 0.88 -2.16 -0.69 0.00 0.00 174.62 172.75 2k4w s PRO 35 N 1.26 3.64 -0.44 4.92 0.04 -1.26 -0.87 135.00 142.29 2k4w s PRO 35 Ca -0.06 0.49 0.07 0.00 0.04 0.00 0.00 61.00 61.55 2k4w s PRO 35 Cb -0.19 -2.26 0.29 0.00 0.04 0.00 0.00 34.50 32.38 2k4w s PRO 35 CO -0.06 -0.30 0.86 -2.39 0.04 0.00 0.00 177.00 175.15 2k4w n HIS 36 N -2.18 -1.99 -4.31 0.56 1.44 -0.81 -3.97 115.22 103.96 2k4w n HIS 36 Ca 0.03 -2.59 -0.24 0.00 -2.01 0.00 0.00 57.72 52.91 2k4w n HIS 36 Cb 0.54 0.86 -0.12 0.00 0.12 0.00 0.00 29.99 31.39 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 -1.60 2.34 -0.20 2.39 1.02 -1.07 -3.69 118.68 117.87 2k4w s LEU 37 Ca 0.31 -0.73 0.21 0.00 0.02 0.00 0.00 54.13 53.93 2k4w s LEU 37 Cb 0.26 -0.90 0.44 0.00 0.02 0.00 0.00 46.19 46.01 2k4w s LEU 37 CO -0.13 0.05 1.18 2.29 0.02 0.00 0.00 176.35 179.76 2k4w n LYS 38 N 0.88 1.16 -0.15 1.70 2.85 -1.25 -0.86 118.16 122.49 2k4w n LYS 38 Ca -0.18 -2.65 0.00 0.00 -1.05 0.00 0.00 58.31 54.43 2k4w n LYS 38 Cb 0.54 -0.79 0.00 0.00 -0.65 0.00 0.00 35.03 34.13 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 -0.45 1.30 -2.12 0.58 0.00 -0.96 -4.77 120.51 114.09 2k4w n ALA 39 Ca 0.01 -0.41 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 2k4w n ALA 39 Cb 0.89 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 20.26 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 3.39 0.20 0.00 2.34 -1.06 -5.02 118.68 118.53 2k4w s LEU 40 Ca 0.00 0.95 -0.32 0.00 0.06 0.00 0.00 54.13 54.82 2k4w s LEU 40 Cb 0.00 -3.87 -0.12 0.00 -0.56 0.00 0.00 46.19 41.64 2k4w s LEU 40 CO 0.00 -0.83 1.70 -2.16 -1.06 0.00 0.00 176.35 174.00 2k4w s PRO 41 N -4.93 4.14 -0.10 1.48 0.04 -1.26 -4.36 135.00 130.01 2k4w s PRO 41 Ca 0.51 2.56 0.04 0.00 0.04 0.00 0.00 61.00 64.15 2k4w s PRO 41 Cb -0.11 -3.11 0.25 0.00 0.04 0.00 0.00 34.50 31.58 2k4w s PRO 41 CO 0.47 -0.73 1.02 -0.35 0.04 0.00 0.00 177.00 177.45 2k4w n PRO 42 N 4.06 2.02 -4.31 0.56 -0.04 -1.26 -4.76 135.00 131.28 2k4w n PRO 42 Ca 0.16 -1.01 -0.28 0.00 -0.04 0.00 0.00 63.50 62.33 2k4w n PRO 42 Cb 0.36 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 2k4w n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k4w s GLY 43 N -0.11 1.72 0.19 0.55 0.00 -1.26 -3.71 107.32 104.70 2k4w s GLY 43 Ca 0.18 -1.45 -0.31 0.00 0.00 0.00 0.00 44.72 43.14 2k4w s GLY 43 CO 0.05 -1.46 0.92 1.18 0.00 0.00 0.00 173.10 173.78 2k4w n GLU 44 N 0.29 0.72 -4.67 2.90 1.02 -1.26 -4.61 120.64 115.04 2k4w n GLU 44 Ca -0.12 0.26 -0.26 0.00 -0.02 0.00 0.00 57.16 57.01 2k4w n GLU 44 Cb 0.55 -1.57 -0.17 0.00 -0.02 0.00 0.00 31.44 30.23 2k4w n GLU 44 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2k4w s HIS 45 N -0.63 1.69 0.89 -0.32 3.76 -0.16 -4.17 115.29 116.35 2k4w s HIS 45 Ca 0.69 -0.66 -0.14 0.00 -0.15 0.00 0.00 55.06 54.79 2k4w s HIS 45 Cb -0.89 -1.21 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 2k4w s HIS 45 CO 0.56 -0.32 0.26 0.41 -0.85 0.00 0.00 174.74 174.79 2k4w n GLY 46 N 3.82 -2.28 2.87 -2.22 0.00 -0.23 0.39 105.19 107.54 2k4w n GLY 46 Ca -0.22 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.21 -0.31 0.33 1.61 5.36 -1.26 -0.72 117.98 120.78 2k4w s PHE 47 Ca 0.57 0.60 0.05 0.00 -0.96 0.00 0.00 56.93 57.19 2k4w s PHE 47 Cb -0.25 -0.21 -0.07 0.00 -0.34 0.00 0.00 43.02 42.15 2k4w s PHE 47 CO 0.67 -0.43 0.02 -1.01 -1.46 0.00 0.00 175.22 173.02 2k4w s HIS 48 N 2.35 2.06 -0.15 10.12 3.76 -1.01 -3.80 115.29 128.63 2k4w s HIS 48 Ca 0.04 -0.85 -0.09 0.00 -0.15 0.00 0.00 55.06 54.01 2k4w s HIS 48 Cb -0.13 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.18 2k4w s HIS 48 CO -0.09 0.15 0.17 0.42 -0.85 0.00 0.00 174.74 174.54 2k4w s ILE 49 N -3.13 5.41 0.52 0.60 1.01 -0.42 -1.43 121.20 123.76 2k4w s ILE 49 Ca 0.35 0.29 0.07 0.00 0.00 0.00 0.00 60.65 61.36 2k4w s ILE 49 Cb 0.08 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 39.11 2k4w s ILE 49 CO 0.15 0.52 0.53 -1.00 0.00 0.00 0.00 174.94 175.14 2k4w s HIS 50 N -0.33 1.87 0.23 3.97 3.76 -0.86 -4.15 115.29 119.77 2k4w s HIS 50 Ca 0.13 -0.70 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 2k4w s HIS 50 Cb -0.12 -2.09 0.19 0.00 1.11 0.00 0.00 32.58 31.67 2k4w s HIS 50 CO 0.02 -0.60 1.51 0.00 -0.85 0.00 0.00 174.74 174.83 2k4w h ALA 51 N 0.63 0.79 -3.00 -1.40 0.00 -1.21 -3.39 119.26 111.68 2k4w h ALA 51 Ca -0.36 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2k4w h ALA 51 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k4w h ALA 51 CO 0.51 0.86 0.00 0.09 0.00 0.00 0.00 179.25 180.72 2k4w n ASN 52 N -3.72 1.35 -2.97 0.00 3.02 0.12 -4.93 115.26 108.13 2k4w n ASN 52 Ca -0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.38 2k4w n ASN 52 Cb 0.70 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 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 3.48 1.68 3.24 7.41 0.00 -0.58 -0.48 105.19 119.93 2k4w n GLY 53 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.29 2k4w n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4w s SER 54 N -1.57 -0.33 0.00 1.61 0.01 -0.96 -4.87 113.70 107.58 2k4w s SER 54 Ca 0.33 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2k4w s SER 54 Cb 0.24 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.81 2k4w s SER 54 CO -0.14 -0.06 0.50 0.00 0.41 0.00 0.00 173.24 173.94 2k4w s GLN 56 N 0.80 3.84 0.38 0.00 1.11 -1.26 -4.29 119.66 120.25 2k4w s GLN 56 Ca 0.00 -0.40 -0.16 0.00 0.01 0.00 0.00 55.36 54.80 2k4w s GLN 56 Cb 0.00 -3.23 -0.09 0.00 -1.01 0.00 0.00 33.01 28.68 2k4w s GLN 56 CO 0.00 0.12 0.83 -1.25 0.01 0.00 0.00 175.29 174.99 2k4w s PRO 57 N 0.79 4.04 0.40 2.91 0.04 -1.24 -0.56 135.00 141.39 2k4w s PRO 57 Ca 0.03 0.81 0.08 0.00 0.04 0.00 0.00 61.00 61.96 2k4w s PRO 57 Cb -0.14 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 2k4w s PRO 57 CO 0.02 0.04 0.49 0.00 0.04 0.00 0.00 177.00 177.59 2k4w s ALA 58 N -2.15 4.32 -0.24 8.56 0.00 -1.26 -4.81 121.76 126.19 2k4w s ALA 58 Ca 0.57 -1.70 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 2k4w s ALA 58 Cb -0.10 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2k4w s ALA 58 CO 0.19 -0.22 0.25 0.42 0.00 0.00 0.00 175.76 176.41 2k4w s ILE 59 N -2.36 5.29 -0.18 0.00 -1.09 -1.26 -0.43 121.20 121.17 2k4w s ILE 59 Ca 0.51 0.37 -0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2k4w s ILE 59 Cb -0.08 -3.59 0.06 0.00 -1.58 0.00 0.00 42.46 37.27 2k4w s ILE 59 CO 0.31 0.29 0.09 -0.75 -1.23 0.00 0.00 174.94 173.65 2k4w s LYS 60 N 1.30 0.12 -0.94 2.79 2.20 -0.58 -4.85 119.74 119.79 2k4w s LYS 60 Ca 0.12 -0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2k4w s LYS 60 Cb -0.14 -1.80 -0.05 0.00 -1.51 0.00 0.00 37.83 34.33 2k4w s LYS 60 CO 0.07 -0.70 0.83 -3.47 -0.36 0.00 0.00 175.35 171.73 2k4w n ASP 61 N 5.26 -6.90 -0.42 1.43 2.03 -1.26 -4.11 116.55 112.58 2k4w n ASP 61 Ca -0.07 -0.50 -0.05 0.00 0.52 0.00 0.00 54.79 54.68 2k4w n ASP 61 Cb 0.48 -5.15 -0.02 0.00 -0.72 0.00 0.00 41.12 35.71 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 -1.39 0.62 3.18 0.27 0.00 -1.26 -4.92 105.19 101.69 2k4w n GLY 62 Ca -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.17 0.59 -0.08 1.61 -2.07 -1.26 -5.15 119.66 111.14 2k4w s GLN 63 Ca 0.00 -0.29 -0.24 0.00 -1.82 0.00 0.00 55.36 53.01 2k4w s GLN 63 Cb 0.00 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2k4w s GLN 63 CO 0.00 -0.16 0.74 0.00 -1.32 0.00 0.00 175.29 174.55 2k4w s ALA 64 N -1.39 3.35 -1.60 2.60 0.00 -1.26 -1.52 121.76 121.94 2k4w s ALA 64 Ca -0.14 0.14 0.12 0.00 0.00 0.00 0.00 51.96 52.09 2k4w s ALA 64 Cb -0.06 -3.02 0.65 0.00 0.00 0.00 0.00 23.12 20.69 2k4w s ALA 64 CO 0.03 -0.19 1.26 0.28 0.00 0.00 0.00 175.76 177.14 2k4w n VAL 65 N 3.93 0.48 0.00 0.00 0.31 0.43 -4.88 118.33 118.60 2k4w n VAL 65 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2k4w n VAL 65 Cb 0.51 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 -1.20 0.00 -3.22 3.52 0.00 -1.26 -4.50 120.51 113.84 2k4w n ALA 66 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.54 2k4w n ALA 66 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 -2.17 -0.13 0.00 0.00 -1.26 -3.60 121.76 114.60 2k4w s ALA 67 Ca 0.00 1.86 -0.06 0.00 0.00 0.00 0.00 51.96 53.76 2k4w s ALA 67 Cb 0.00 -2.09 -0.26 0.00 0.00 0.00 0.00 23.12 20.77 2k4w s ALA 67 CO 0.00 -1.28 0.34 -1.91 0.00 0.00 0.00 175.76 172.91 2k4w n GLU 68 N 5.43 0.75 0.00 0.00 2.13 0.27 -4.19 120.64 125.03 2k4w n GLU 68 Ca -0.02 0.26 0.10 0.00 0.66 0.00 0.00 57.16 58.15 2k4w n GLU 68 Cb 0.51 -1.70 0.53 0.00 0.27 0.00 0.00 31.44 31.05 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4w n ALA 69 N -3.00 2.10 0.22 4.31 0.00 -1.15 -1.71 120.51 121.29 2k4w n ALA 69 Ca -0.32 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.13 2k4w n ALA 69 Cb 1.05 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 3.03 0.60 -1.27 0.00 0.00 -1.30 -1.44 119.26 118.88 2k4w h ALA 70 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2k4w h ALA 70 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2k4w h ALA 70 CO 0.00 0.00 -0.23 0.41 0.00 0.00 0.00 179.25 179.43 2k4w n GLY 71 N 1.20 -1.65 0.00 0.00 0.00 -0.69 -0.70 105.19 103.35 2k4w n GLY 71 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.45 0.19 3.68 -0.02 0.00 -1.26 -4.48 105.19 100.85 2k4w n GLY 72 Ca 0.00 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.59 2.38 -0.92 1.61 8.25 -1.26 -1.65 115.22 123.04 2k4w n HIS 73 Ca 0.00 0.16 -0.35 0.00 -0.26 0.00 0.00 57.72 57.27 2k4w n HIS 73 Cb 0.00 -2.59 -0.05 0.00 1.12 0.00 0.00 29.99 28.47 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 4.11 3.85 -4.27 2.41 7.94 -1.26 -4.76 117.00 125.02 2k4w n LEU 74 Ca 0.18 -2.68 -0.36 0.00 -1.11 0.00 0.00 56.01 52.04 2k4w n LEU 74 Cb 0.30 -1.03 -0.13 0.00 0.53 0.00 0.00 43.42 43.10 2k4w n LEU 74 CO 0.65 -0.27 -0.32 -0.62 -1.11 0.00 0.00 177.39 175.72 2k4w s ASP 75 N 4.72 4.90 0.03 1.96 -1.08 -1.26 -1.71 116.67 124.24 2k4w s ASP 75 Ca 0.50 -0.89 0.07 0.00 -0.52 0.00 0.00 52.55 51.71 2k4w s ASP 75 Cb 0.13 -1.80 -0.23 0.00 -1.46 0.00 0.00 42.92 39.56 2k4w s ASP 75 CO 0.09 -0.20 0.96 1.55 0.52 0.00 0.00 175.17 178.08 2k4w h PRO 76 N 8.14 0.05 0.00 4.34 0.13 -1.98 -3.45 132.00 139.24 2k4w h PRO 76 Ca -0.29 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k4w h PRO 76 Cb 1.11 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2k4w h PRO 76 CO 0.59 0.84 0.00 0.00 -0.23 0.00 0.00 178.00 179.20 2k4w n GLN 77 N -3.26 0.00 -0.00 0.86 10.64 -1.26 -5.04 117.38 119.32 2k4w n GLN 77 Ca -0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 2k4w n GLN 77 Cb 1.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 30.38 2k4w n GLN 77 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2k4w n ASN 78 N 0.00 4.77 0.00 2.61 5.15 -1.26 -5.06 115.26 121.47 2k4w n ASN 78 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k4w n ASN 78 Cb 0.00 0.98 0.00 0.00 -0.53 0.00 0.00 39.78 40.23 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2k4w n THR 79 N -1.60 0.00 0.00 -0.44 5.66 -1.26 -4.46 114.28 112.19 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 0.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 0.54 0.00 1.09 0.00 -1.19 -4.99 105.19 100.64 2k4w n GLY 80 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 0.69 0.00 1.61 2.85 -1.20 -4.79 118.16 115.32 2k4w n LYS 81 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2k4w n LYS 81 Cb 0.00 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 2k4w n LYS 81 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2k4w n HIS 82 N -0.91 0.00 -0.98 5.58 -0.00 -0.86 -4.36 115.22 113.69 2k4w n HIS 82 Ca 0.14 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.95 2k4w n HIS 82 Cb 0.06 -0.76 0.18 0.00 -0.00 0.00 0.00 29.99 29.47 2k4w n HIS 82 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2k4w n GLU 83 N 0.50 1.96 0.10 1.57 2.13 -1.26 -4.52 120.64 121.12 2k4w n GLU 83 Ca 0.00 -2.61 -0.16 0.00 0.66 0.00 0.00 57.16 55.04 2k4w n GLU 83 Cb 0.00 -1.59 -0.11 0.00 0.27 0.00 0.00 31.44 30.00 2k4w n GLU 83 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2k4w h GLY 84 N 0.68 0.39 -0.60 8.31 0.00 -1.90 -3.38 103.07 106.56 2k4w h GLY 84 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2k4w h GLY 84 CO 0.08 0.77 -0.10 -1.55 0.00 0.00 0.00 176.54 175.74 2k4w n PRO 85 N -3.61 1.26 -3.86 4.80 -0.04 -1.26 -4.89 135.00 127.39 2k4w n PRO 85 Ca -0.09 -0.83 -0.11 0.00 -0.04 0.00 0.00 63.50 62.43 2k4w n PRO 85 Cb 0.98 -1.12 -0.11 0.00 -0.04 0.00 0.00 33.50 33.20 2k4w n PRO 85 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k4w s GLU 86 N -1.06 0.33 0.00 0.54 0.41 -1.26 -5.07 118.70 112.59 2k4w s GLU 86 Ca 0.09 -0.19 0.09 0.00 -0.41 0.00 0.00 54.97 54.56 2k4w s GLU 86 Cb 0.08 0.14 0.54 0.00 -1.78 0.00 0.00 34.13 33.11 2k4w s GLU 86 CO 0.18 -0.07 1.19 0.41 -0.49 0.00 0.00 175.26 176.48 2k4w n GLY 87 N 2.09 -0.81 3.11 -1.39 0.00 -1.26 -4.38 105.19 102.56 2k4w n GLY 87 Ca -0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 0.26 0.00 1.61 -0.21 -1.26 -5.02 119.66 113.03 2k4w s GLN 88 Ca 0.14 0.59 0.00 0.00 0.02 0.00 0.00 55.36 56.10 2k4w s GLN 88 Cb 0.06 -0.09 0.00 0.00 1.00 0.00 0.00 33.01 33.98 2k4w s GLN 88 CO 0.10 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 2k4w n GLY 89 N 4.20 0.00 0.00 3.09 0.00 -1.26 -4.45 105.19 106.77 2k4w n GLY 89 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.00 0.21 1.61 -0.00 -1.26 -2.03 115.22 113.75 2k4w n HIS 90 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 2k4w n HIS 90 Cb 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 29.99 30.44 2k4w n HIS 90 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2k4w h LEU 91 N 0.00 0.00 -1.65 0.27 6.46 -1.73 -2.60 115.31 116.05 2k4w h LEU 91 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2k4w h LEU 91 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2k4w h LEU 91 CO 0.00 0.30 0.00 0.61 -0.62 0.00 0.00 178.44 178.73 2k4w n GLY 92 N -0.49 1.39 3.79 3.75 0.00 -1.26 -4.90 105.19 107.47 2k4w n GLY 92 Ca -0.02 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.61 6.69 0.22 1.61 1.01 -0.98 -1.31 116.67 123.31 2k4w s ASP 93 Ca 0.22 1.94 -0.20 0.00 0.71 0.00 0.00 52.55 55.22 2k4w s ASP 93 Cb 0.14 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.54 2k4w s ASP 93 CO 0.10 -0.53 0.62 -0.76 0.21 0.00 0.00 175.17 174.80 2k4w s LEU 94 N -2.93 -0.19 0.40 1.23 1.02 -1.25 -4.96 118.68 112.00 2k4w s LEU 94 Ca 0.61 -0.45 -0.22 0.00 0.02 0.00 0.00 54.13 54.09 2k4w s LEU 94 Cb -0.18 2.46 -0.11 0.00 0.02 0.00 0.00 46.19 48.38 2k4w s LEU 94 CO 0.23 -1.16 0.95 -2.16 0.02 0.00 0.00 176.35 174.23 2k4w s PRO 95 N -3.87 4.32 0.23 1.29 0.04 -1.26 -4.68 135.00 131.06 2k4w s PRO 95 Ca 0.09 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 2k4w s PRO 95 Cb -0.03 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 2k4w s PRO 95 CO -0.01 0.05 1.35 0.08 0.04 0.00 0.00 177.00 178.52 2k4w s VAL 96 N -2.03 2.97 -0.48 -0.36 1.01 -1.26 -4.31 120.40 115.94 2k4w s VAL 96 Ca 0.59 0.82 -0.24 0.00 0.00 0.00 0.00 61.98 63.15 2k4w s VAL 96 Cb -0.11 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2k4w s VAL 96 CO 0.16 0.13 0.86 -0.22 0.00 0.00 0.00 175.10 176.03 2k4w s LEU 97 N -0.36 4.16 0.05 3.92 0.20 0.16 -4.88 118.68 121.93 2k4w s LEU 97 Ca 0.57 -0.12 -0.30 0.00 0.69 0.00 0.00 54.13 54.96 2k4w s LEU 97 Cb -0.39 -2.99 -0.05 0.00 -0.43 0.00 0.00 46.19 42.34 2k4w s LEU 97 CO 0.41 -1.04 1.04 -0.69 -0.29 0.00 0.00 176.35 175.79 2k4w s VAL 98 N 3.58 4.52 -0.03 1.68 1.01 -1.26 -0.98 120.40 128.91 2k4w s VAL 98 Ca 0.32 1.88 0.04 0.00 0.00 0.00 0.00 61.98 64.22 2k4w s VAL 98 Cb -0.12 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2k4w s VAL 98 CO 0.23 0.19 -0.13 -0.69 0.00 0.00 0.00 175.10 174.69 2k4w s VAL 99 N 0.73 3.16 0.67 2.92 1.01 -1.26 -3.97 120.40 123.65 2k4w s VAL 99 Ca 0.52 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2k4w s VAL 99 Cb -0.24 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2k4w s VAL 99 CO 0.29 0.53 1.05 0.54 0.00 0.00 0.00 175.10 177.51 2k4w s ASN 100 N -0.93 5.53 0.44 3.32 2.20 -0.57 -4.46 114.94 120.46 2k4w s ASN 100 Ca 0.13 1.05 0.15 0.00 -0.94 0.00 0.00 52.86 53.24 2k4w s ASN 100 Cb -0.11 -1.91 0.81 0.00 -2.00 0.00 0.00 41.25 38.04 2k4w s ASN 100 CO 0.02 -1.25 1.37 -0.55 -2.94 0.00 0.00 177.10 173.76 2k4w h ASN 101 N -0.52 0.00 -0.01 3.54 -0.00 -1.90 -0.91 115.58 115.79 2k4w h ASN 101 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.85 2k4w h ASN 101 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 2k4w h ASN 101 CO 0.63 0.00 -0.12 -0.67 -0.00 0.00 0.00 177.43 177.27 2k4w n ASP 102 N -2.27 2.39 0.00 6.14 2.03 -1.26 -4.81 116.55 118.77 2k4w n ASP 102 Ca -0.01 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.57 2k4w n ASP 102 Cb 0.44 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 1.34 0.79 3.47 0.27 0.00 -0.35 -4.92 105.19 105.78 2k4w n GLY 103 Ca 0.14 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 4.33 -0.22 -0.61 1.01 -1.25 -2.27 121.20 120.19 2k4w s ILE 104 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 2k4w s ILE 104 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2k4w s ILE 104 CO 0.00 0.37 0.58 0.00 0.00 0.00 0.00 174.94 175.89 2k4w s ALA 105 N 1.37 3.56 0.00 9.38 0.00 -0.04 -1.52 121.76 134.51 2k4w s ALA 105 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2k4w s ALA 105 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2k4w s ALA 105 CO 0.03 -0.59 0.10 -2.37 0.00 0.00 0.00 175.76 172.93 2k4w n THR 106 N 4.81 0.00 -3.57 0.00 5.66 -1.25 -2.60 114.28 117.32 2k4w n THR 106 Ca -0.03 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.60 2k4w n THR 106 Cb 0.50 0.26 -0.09 0.00 -1.55 0.00 0.00 70.33 69.44 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 4.06 0.20 1.09 0.41 -1.26 -4.82 118.70 118.37 2k4w s GLU 107 Ca 0.00 -0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 54.09 2k4w s GLU 107 Cb 0.00 -3.57 -0.08 0.00 -1.78 0.00 0.00 34.13 28.69 2k4w s GLU 107 CO 0.00 -0.04 1.27 -1.25 -0.49 0.00 0.00 175.26 174.75 2k4w s PRO 108 N 1.33 4.43 0.12 0.39 0.04 -1.26 -4.36 135.00 135.68 2k4w s PRO 108 Ca 0.10 1.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.12 2k4w s PRO 108 Cb -0.14 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2k4w s PRO 108 CO 0.07 -0.19 0.02 0.14 0.04 0.00 0.00 177.00 177.08 2k4w s VAL 109 N 0.02 0.24 -0.05 -0.36 -7.23 -0.33 -5.01 120.40 107.68 2k4w s VAL 109 Ca 0.55 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2k4w s VAL 109 Cb -0.35 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2k4w s VAL 109 CO 0.38 -0.60 0.15 -0.89 -0.31 0.00 0.00 175.10 173.82 2k4w s THR 110 N -3.94 0.01 -0.29 5.32 2.01 -1.26 -0.07 115.64 117.42 2k4w s THR 110 Ca 0.20 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2k4w s THR 110 Cb 0.07 -0.23 0.08 0.00 0.01 0.00 0.00 72.50 72.42 2k4w s THR 110 CO -0.01 -0.04 -0.04 0.00 -0.69 0.00 0.00 174.62 173.84 2k4w s ALA 111 N -0.07 2.57 -2.00 7.40 0.00 -0.25 -4.89 121.76 124.52 2k4w s ALA 111 Ca -0.01 -1.99 0.05 0.00 0.00 0.00 0.00 51.96 50.01 2k4w s ALA 111 Cb -0.02 -1.71 0.30 0.00 0.00 0.00 0.00 23.12 21.69 2k4w s ALA 111 CO 0.00 -1.39 0.85 -0.35 0.00 0.00 0.00 175.76 174.87 2k4w n PRO 112 N 4.41 0.60 0.17 0.00 -0.04 -0.81 -1.54 135.00 137.79 2k4w n PRO 112 Ca -0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2k4w n PRO 112 Cb 0.42 -1.13 0.21 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.00 0.00 -5.57 0.54 9.65 -1.95 -3.42 114.38 113.63 2k4w h ARG 113 Ca 0.00 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.27 2k4w h ARG 113 Cb 0.00 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 28.27 2k4w h ARG 113 CO 0.00 0.44 -0.85 -0.51 2.80 0.00 0.00 179.97 181.85 2k4w s LEU 114 N -6.80 1.97 0.00 3.80 2.01 -1.23 -5.05 118.68 113.39 2k4w s LEU 114 Ca 0.02 -0.40 0.08 0.00 0.01 0.00 0.00 54.13 53.83 2k4w s LEU 114 Cb 0.10 -1.10 0.03 0.00 0.01 0.00 0.00 46.19 45.22 2k4w s LEU 114 CO 0.71 0.19 0.64 0.29 1.01 0.00 0.00 176.35 179.19 2k4w n LYS 115 N 3.05 1.33 -4.21 1.70 5.02 -1.26 -2.48 118.16 121.30 2k4w n LYS 115 Ca -0.18 -0.73 -0.15 0.00 -2.02 0.00 0.00 58.31 55.23 2k4w n LYS 115 Cb 0.53 -1.08 -0.09 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.96 0.77 0.48 4.39 0.15 -1.26 -4.50 113.70 112.76 2k4w s SER 116 Ca 0.08 -1.51 0.26 0.00 0.70 0.00 0.00 55.95 55.47 2k4w s SER 116 Cb 0.07 0.48 1.17 0.00 -1.71 0.00 0.00 66.02 66.02 2k4w s SER 116 CO 0.16 -0.97 1.94 -0.07 1.20 0.00 0.00 173.24 175.50 2k4w h LEU 117 N 2.39 0.00 -2.14 3.45 -0.00 -1.94 -3.38 115.31 113.69 2k4w h LEU 117 Ca -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2k4w h LEU 117 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2k4w h LEU 117 CO 0.45 0.18 -0.00 0.44 -0.00 0.00 0.00 178.44 179.51 2k4w h ASP 118 N 0.00 0.00 1.52 -0.43 3.32 -1.99 0.12 116.42 118.96 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 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2k4w h ASP 118 CO 0.02 0.00 0.00 1.05 -1.72 0.00 0.00 179.24 178.59 2k4w h GLU 119 N 0.00 0.00 0.00 3.56 9.09 -2.00 -3.37 114.58 121.86 2k4w h GLU 119 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2k4w h GLU 119 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2k4w h GLU 119 CO 0.00 0.00 -0.07 1.33 0.05 0.00 0.00 179.01 180.32 2k4w n VAL 120 N -2.48 1.22 0.54 -1.06 0.24 0.36 -4.90 118.33 112.26 2k4w n VAL 120 Ca 0.05 -1.41 0.01 0.00 -2.04 0.00 0.00 64.34 60.95 2k4w n VAL 120 Cb 0.43 0.17 0.04 0.00 -1.47 0.00 0.00 33.84 33.01 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 -0.85 0.27 -2.66 7.34 2.85 -0.77 -2.93 118.16 121.41 2k4w n LYS 121 Ca 0.08 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.31 2k4w n LYS 121 Cb 0.53 -1.07 0.13 0.00 -0.65 0.00 0.00 35.03 33.96 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 -0.57 -1.53 -4.29 -5.58 -0.08 -1.26 -4.81 116.55 98.43 2k4w n ASP 122 Ca 0.01 -2.24 -0.16 0.00 -1.51 0.00 0.00 54.79 50.89 2k4w n ASP 122 Cb 0.00 0.74 -0.10 0.00 2.34 0.00 0.00 41.12 44.10 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2k4w s LYS 123 N 0.14 1.32 0.01 -0.67 1.02 -1.15 -4.19 119.74 116.22 2k4w s LYS 123 Ca 0.11 -1.70 -0.03 0.00 0.02 0.00 0.00 55.97 54.38 2k4w s LYS 123 Cb 0.43 -0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2k4w s LYS 123 CO -0.12 -0.24 0.20 0.00 -0.92 0.00 0.00 175.35 174.26 2k4w s ALA 124 N -3.72 3.95 -0.00 5.17 0.00 0.36 -1.19 121.76 126.33 2k4w s ALA 124 Ca 0.34 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.54 2k4w s ALA 124 Cb 0.07 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2k4w s ALA 124 CO 0.11 0.75 0.08 -0.51 0.00 0.00 0.00 175.76 176.19 2k4w s LEU 125 N -2.03 3.90 0.00 0.00 1.43 -0.06 -2.02 118.68 119.90 2k4w s LEU 125 Ca 0.29 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2k4w s LEU 125 Cb -0.13 -2.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 2k4w s LEU 125 CO 0.20 0.27 0.01 -0.04 0.23 0.00 0.00 176.35 177.03 2k4w s MET 126 N -1.73 0.13 -0.25 1.70 -1.94 -0.52 -1.34 119.30 115.35 2k4w s MET 126 Ca 0.23 -0.18 -0.11 0.00 -1.71 0.00 0.00 55.69 53.92 2k4w s MET 126 Cb -0.12 0.05 -0.05 0.00 2.01 0.00 0.00 34.83 36.72 2k4w s MET 126 CO 0.14 -0.02 0.18 0.42 -0.01 0.00 0.00 175.02 175.73 2k4w s ILE 127 N -0.49 5.34 -0.02 2.53 1.01 0.22 -2.41 121.20 127.38 2k4w s ILE 127 Ca -0.05 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.81 2k4w s ILE 127 Cb -0.03 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2k4w s ILE 127 CO -0.00 0.31 -0.03 -1.00 0.00 0.00 0.00 174.94 174.22 2k4w s HIS 128 N 1.27 3.01 0.18 3.97 3.76 0.11 -0.43 115.29 127.16 2k4w s HIS 128 Ca 0.08 0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.98 2k4w s HIS 128 Cb -0.14 -1.67 0.07 0.00 1.11 0.00 0.00 32.58 31.95 2k4w s HIS 128 CO 0.06 0.42 1.52 0.28 -0.85 0.00 0.00 174.74 176.17 2k4w h VAL 129 N 3.78 1.29 -2.82 -0.90 2.07 -1.08 -2.74 116.25 115.84 2k4w h VAL 129 Ca -0.49 -1.63 -0.56 0.00 0.82 0.00 0.00 66.70 64.85 2k4w h VAL 129 Cb 1.18 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2k4w h VAL 129 CO 0.55 0.53 -0.39 -0.83 0.02 0.00 0.00 177.57 177.45 2k4w s GLY 130 N -3.99 1.89 1.11 2.17 0.00 -1.26 -4.68 107.32 102.56 2k4w s GLY 130 Ca -0.09 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 2k4w s GLY 130 CO 0.85 -0.81 1.00 0.61 0.00 0.00 0.00 173.10 174.76 2k4w n GLY 131 N -0.39 -2.68 0.21 0.20 0.00 -1.26 -1.06 105.19 100.22 2k4w n GLY 131 Ca -0.05 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.65 0.32 -1.50 1.61 -0.08 -1.26 -4.73 116.55 106.26 2k4w n ASP 132 Ca 0.14 -1.64 0.03 0.00 -1.51 0.00 0.00 54.79 51.81 2k4w n ASP 132 Cb 0.53 -0.11 0.31 0.00 2.34 0.00 0.00 41.12 44.19 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 -0.14 4.60 -4.72 1.67 6.94 -1.26 -4.41 115.26 117.93 2k4w n ASN 133 Ca 0.01 -3.11 -0.36 0.00 -0.02 0.00 0.00 54.58 51.10 2k4w n ASN 133 Cb 0.57 -0.65 -0.07 0.00 -2.36 0.00 0.00 39.78 37.27 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 -2.89 4.25 0.00 -3.83 -1.94 -1.26 -4.39 119.30 109.23 2k4w s MET 134 Ca 0.50 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.54 2k4w s MET 134 Cb 0.40 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 33.80 2k4w s MET 134 CO 0.12 0.22 0.58 -1.13 -0.01 0.00 0.00 175.02 174.80 2k4w n SER 135 N 3.64 0.99 -3.66 3.03 3.41 -1.26 -4.79 113.62 114.99 2k4w n SER 135 Ca -0.12 -1.33 -0.06 0.00 -0.26 0.00 0.00 58.87 57.10 2k4w n SER 135 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2k4w n SER 135 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k4w s ASP 136 N -0.33 -0.81 -0.28 4.04 -1.08 -1.26 -4.72 116.67 112.23 2k4w s ASP 136 Ca 0.00 1.34 -0.26 0.00 -0.52 0.00 0.00 52.55 53.11 2k4w s ASP 136 Cb 0.00 1.60 0.16 0.00 -1.46 0.00 0.00 42.92 43.22 2k4w s ASP 136 CO 0.00 -0.22 1.25 -1.58 0.52 0.00 0.00 175.17 175.14 2k4w s GLN 137 N 2.22 0.26 0.27 4.34 2.00 -1.26 -5.05 119.66 122.45 2k4w s GLN 137 Ca -0.07 0.25 0.25 0.00 -2.00 0.00 0.00 55.36 53.78 2k4w s GLN 137 Cb -0.09 0.13 0.97 0.00 0.80 0.00 0.00 33.01 34.81 2k4w s GLN 137 CO -0.17 -0.04 1.74 -1.00 -0.50 0.00 0.00 175.29 175.32 2k4w h PRO 138 N 3.30 0.00 -4.80 1.67 0.13 -2.03 -3.43 132.00 126.84 2k4w h PRO 138 Ca -0.24 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.39 2k4w h PRO 138 Cb 1.19 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.00 2k4w h PRO 138 CO 0.17 0.00 -0.81 0.15 -0.23 0.00 0.00 178.00 177.28 2k4w s LYS 139 N -3.30 1.44 0.11 0.86 1.02 -1.26 -5.11 119.74 113.50 2k4w s LYS 139 Ca 0.05 -0.43 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 2k4w s LYS 139 Cb 0.10 -1.26 -0.10 0.00 -0.52 0.00 0.00 37.83 36.05 2k4w s LYS 139 CO 0.45 0.13 1.82 -1.25 -0.92 0.00 0.00 175.35 175.58 2k4w s PRO 140 N 0.29 4.14 0.00 -1.68 0.04 -1.26 -1.50 135.00 135.03 2k4w s PRO 140 Ca -0.07 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2k4w s PRO 140 Cb -0.12 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2k4w s PRO 140 CO 0.02 -0.84 0.00 1.28 0.04 0.00 0.00 177.00 177.50 2k4w n LEU 141 N 5.81 0.94 0.00 -3.56 4.32 -1.26 -2.83 117.00 120.42 2k4w n LEU 141 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 2k4w n LEU 141 Cb 0.39 -1.92 0.00 0.00 -1.62 0.00 0.00 43.42 40.26 2k4w n LEU 141 CO 0.65 -0.72 0.00 0.61 -1.22 0.00 0.00 177.39 176.72 2k4w n GLY 142 N -0.39 0.16 0.00 -0.72 0.00 -0.56 -1.34 105.19 102.34 2k4w n GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.34 0.70 0.00 -0.02 0.00 -1.13 -5.02 105.19 99.38 2k4w n GLY 143 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.21 -0.54 0.00 -0.02 0.00 -0.45 -2.67 105.19 100.30 2k4w n GLY 144 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.06 -1.06 3.74 -0.02 0.00 -1.26 -4.65 105.19 101.99 2k4w n GLY 145 Ca 0.03 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.60 3.28 0.08 2.61 -4.23 -1.09 -4.99 115.64 108.70 2k4w s THR 146 Ca 0.21 1.04 0.09 0.00 -1.18 0.00 0.00 61.69 61.86 2k4w s THR 146 Cb 0.15 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 2k4w s THR 146 CO 0.36 0.15 -0.25 0.00 -0.54 0.00 0.00 174.62 174.34 2k4w s ARG 147 N -0.02 1.50 -0.01 3.99 3.03 -1.26 -0.54 118.95 125.63 2k4w s ARG 147 Ca 0.57 -1.18 0.15 0.00 2.03 0.00 0.00 55.73 57.30 2k4w s ARG 147 Cb -0.36 -1.79 -0.21 0.00 -1.03 0.00 0.00 34.95 31.56 2k4w s ARG 147 CO 0.37 0.44 0.41 0.98 -1.13 0.00 0.00 175.30 176.38 2k4w n TYR 148 N 1.38 0.00 -3.50 5.89 9.36 0.43 -4.77 117.16 125.95 2k4w n TYR 148 Ca -0.18 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 60.93 2k4w n TYR 148 Cb 0.53 -0.25 -0.02 0.00 -0.63 0.00 0.00 39.34 38.97 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 -2.85 -1.54 0.04 2.98 0.00 -0.91 -4.38 121.76 115.09 2k4w s ALA 149 Ca -0.02 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.33 2k4w s ALA 149 Cb 0.10 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 2k4w s ALA 149 CO 0.62 -0.82 -0.08 0.00 0.00 0.00 0.00 175.76 175.48 2k4w s GLY 151 N -1.46 -0.60 0.22 0.00 0.00 -0.45 -1.12 107.32 103.92 2k4w s GLY 151 Ca -0.09 2.21 -0.25 0.00 0.00 0.00 0.00 44.72 46.59 2k4w s GLY 151 CO 0.00 2.49 0.84 0.54 0.00 0.00 0.00 173.10 176.97 2k4w s VAL 152 N 2.03 4.30 0.29 1.40 0.11 -1.26 -0.88 120.40 126.39 2k4w s VAL 152 Ca -0.08 1.74 -0.28 0.00 -2.93 0.00 0.00 61.98 60.42 2k4w s VAL 152 Cb -0.08 -4.10 -0.09 0.00 -1.53 0.00 0.00 36.38 30.57 2k4w s VAL 152 CO -0.18 0.38 1.02 -0.63 -3.33 0.00 0.00 175.10 172.36 2k4w s ILE 153 N -1.32 3.81 0.00 7.04 1.01 -0.33 -4.80 121.20 126.61 2k4w s ILE 153 Ca 0.41 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.78 2k4w s ILE 153 Cb -0.22 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2k4w s ILE 153 CO 0.26 0.33 0.24 0.29 0.00 0.00 0.00 174.94 176.06