#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 1.76 -0.11 0.00 0.01 -1.26 -0.00 113.70 114.09 2k4w s SER 2 Ca 0.00 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 2k4w s SER 2 Cb 0.00 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.68 2k4w s SER 2 CO 0.00 0.09 0.25 -0.70 0.41 0.00 0.00 173.24 173.29 2k4w s GLU 3 N 0.31 0.19 -0.65 12.44 2.56 0.45 -5.02 118.70 128.97 2k4w s GLU 3 Ca -0.07 0.58 -0.05 0.00 0.00 0.00 0.00 54.97 55.43 2k4w s GLU 3 Cb -0.12 -0.10 0.17 0.00 2.00 0.00 0.00 34.13 36.08 2k4w s GLU 3 CO 0.02 -0.19 0.50 0.21 -0.56 0.00 0.00 175.26 175.24 2k4w s LYS 4 N 1.53 2.75 -0.25 4.30 2.20 -1.26 -0.28 119.74 128.73 2k4w s LYS 4 Ca -0.07 -2.48 -0.20 0.00 -0.36 0.00 0.00 55.97 52.86 2k4w s LYS 4 Cb -0.11 -3.87 -0.02 0.00 -1.51 0.00 0.00 37.83 32.32 2k4w s LYS 4 CO -0.09 -1.20 0.61 0.08 -0.36 0.00 0.00 175.35 174.40 2k4w s VAL 5 N 0.05 5.00 -0.52 4.02 1.01 0.44 -4.87 120.40 125.53 2k4w s VAL 5 Ca 0.17 1.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 2k4w s VAL 5 Cb -0.19 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k4w s VAL 5 CO -0.04 0.04 1.57 -0.83 0.00 0.00 0.00 175.10 175.83 2k4w s GLY 6 N 1.48 0.76 -0.45 4.51 0.00 -1.26 -0.61 107.32 111.75 2k4w s GLY 6 Ca 0.25 -0.46 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 2k4w s GLY 6 CO 0.09 3.00 0.92 1.06 0.00 0.00 0.00 173.10 178.16 2k4w s MET 7 N 5.78 3.56 -0.02 2.90 -1.94 -1.21 -4.45 119.30 123.91 2k4w s MET 7 Ca 0.61 0.19 -0.06 0.00 -1.71 0.00 0.00 55.69 54.72 2k4w s MET 7 Cb -0.13 -3.91 -0.05 0.00 2.01 0.00 0.00 34.83 32.75 2k4w s MET 7 CO 0.26 -1.19 0.23 1.21 -0.01 0.00 0.00 175.02 175.53 2k4w s ASN 8 N 2.22 6.47 -1.44 3.03 3.84 0.06 -4.36 114.94 124.75 2k4w s ASN 8 Ca 0.37 0.52 -0.11 0.00 0.21 0.00 0.00 52.86 53.85 2k4w s ASN 8 Cb -0.10 -2.08 -0.06 0.00 -0.55 0.00 0.00 41.25 38.46 2k4w s ASN 8 CO 0.25 0.29 2.61 0.18 -2.79 0.00 0.00 177.10 177.65 2k4w n LEU 9 N 1.28 7.54 -4.76 3.21 4.77 0.37 -1.82 117.00 127.60 2k4w n LEU 9 Ca -0.13 -4.03 -0.41 0.00 -0.03 0.00 0.00 56.01 51.40 2k4w n LEU 9 Cb 0.53 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 2k4w n LEU 9 CO 0.39 1.51 1.16 0.68 -1.33 0.00 0.00 177.39 179.80 2k4w s VAL 10 N 2.75 2.27 -0.24 4.08 -7.23 -1.26 -3.71 120.40 117.06 2k4w s VAL 10 Ca 0.59 0.24 -0.22 0.00 -1.81 0.00 0.00 61.98 60.79 2k4w s VAL 10 Cb 0.16 -3.16 0.06 0.00 0.56 0.00 0.00 36.38 34.00 2k4w s VAL 10 CO -0.05 0.05 0.65 0.28 -0.31 0.00 0.00 175.10 175.71 2k4w s THR 11 N -0.39 -0.00 0.00 5.32 -1.32 -0.24 -4.77 115.64 114.24 2k4w s THR 11 Ca 0.58 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 2k4w s THR 11 Cb -0.45 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 2k4w s THR 11 CO 0.51 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.92 2k4w n ALA 12 N 2.75 0.00 0.17 11.08 0.00 -1.26 -1.46 120.51 131.78 2k4w n ALA 12 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.36 2k4w n ALA 12 Cb 0.56 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.08 2k4w n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k4w h GLN 13 N 0.00 0.00 0.00 0.00 7.50 -1.95 -3.43 115.11 117.22 2k4w h GLN 13 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2k4w h GLN 13 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2k4w h GLN 13 CO 0.00 0.32 0.00 0.41 -1.50 0.00 0.00 178.83 178.06 2k4w n GLY 14 N 1.18 0.14 3.67 3.46 0.00 -0.54 -4.78 105.19 108.31 2k4w n GLY 14 Ca 0.03 -1.74 -0.47 0.00 0.00 0.00 0.00 46.02 43.83 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 0.22 0.07 0.00 1.61 0.31 -1.26 -1.08 118.33 118.20 2k4w n VAL 15 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2k4w n VAL 15 Cb 0.00 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2k4w n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4w n GLY 16 N 3.47 0.46 3.41 2.92 0.00 -1.24 -4.87 105.19 109.34 2k4w n GLY 16 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 2.10 1.56 0.21 1.61 -2.07 -1.26 -4.90 119.66 116.91 2k4w s GLN 17 Ca 0.00 -1.85 0.07 0.00 -1.82 0.00 0.00 55.36 51.76 2k4w s GLN 17 Cb 0.00 -0.72 -0.04 0.00 -1.09 0.00 0.00 33.01 31.16 2k4w s GLN 17 CO 0.00 -0.19 0.06 0.45 -1.32 0.00 0.00 175.29 174.29 2k4w s SER 18 N -3.43 5.00 0.00 12.60 0.15 -1.26 -0.48 113.70 126.28 2k4w s SER 18 Ca 0.36 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2k4w s SER 18 Cb 0.08 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2k4w s SER 18 CO 0.14 0.04 0.32 2.30 1.20 0.00 0.00 173.24 177.24 2k4w n ILE 19 N -0.52 0.00 0.00 6.45 -5.35 -1.26 -5.01 119.36 113.67 2k4w n ILE 19 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2k4w n ILE 19 Cb 0.56 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 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 3.44 3.18 3.28 0.00 -1.26 -3.34 105.19 110.49 2k4w n GLY 20 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.47 0.00 -4.91 2.61 -2.24 -1.26 -3.35 114.28 103.66 2k4w n THR 21 Ca 0.00 -1.69 -0.28 0.00 -2.27 0.00 0.00 64.05 59.81 2k4w n THR 21 Cb 0.00 -0.38 -0.17 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.10 1.59 -0.19 2.28 1.01 0.22 -3.10 120.40 120.12 2k4w s VAL 22 Ca 0.39 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 2k4w s VAL 22 Cb -0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2k4w s VAL 22 CO 0.25 0.46 0.69 0.54 0.00 0.00 0.00 175.10 177.04 2k4w s VAL 23 N 0.42 4.98 -0.27 2.92 0.11 0.11 -0.42 120.40 128.24 2k4w s VAL 23 Ca -0.15 1.32 -0.14 0.00 -2.93 0.00 0.00 61.98 60.09 2k4w s VAL 23 Cb -0.16 -4.00 -0.04 0.00 -1.53 0.00 0.00 36.38 30.65 2k4w s VAL 23 CO 0.06 0.08 0.32 -0.63 -3.33 0.00 0.00 175.10 171.60 2k4w s ILE 24 N 2.01 5.21 -0.26 7.04 1.01 0.62 -0.42 121.20 136.41 2k4w s ILE 24 Ca 0.32 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.44 2k4w s ILE 24 Cb -0.16 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.71 2k4w s ILE 24 CO 0.11 0.18 -0.09 -0.62 0.00 0.00 0.00 174.94 174.52 2k4w s ASP 25 N 1.67 4.41 0.19 3.58 2.15 -0.42 -0.42 116.67 127.85 2k4w s ASP 25 Ca 0.13 -1.26 -0.33 0.00 0.43 0.00 0.00 52.55 51.52 2k4w s ASP 25 Cb -0.16 -1.59 -0.13 0.00 -0.30 0.00 0.00 42.92 40.75 2k4w s ASP 25 CO 0.10 -0.18 1.64 1.21 -0.17 0.00 0.00 175.17 177.77 2k4w n GLU 26 N 4.51 2.47 -1.61 4.34 0.00 1.00 -0.82 120.64 130.53 2k4w n GLU 26 Ca -0.15 0.89 -0.02 0.00 0.00 0.00 0.00 57.16 57.89 2k4w n GLU 26 Cb 0.43 -2.69 0.01 0.00 0.00 0.00 0.00 31.44 29.19 2k4w n GLU 26 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2k4w n THR 27 N 3.54 0.00 -0.11 6.31 5.66 0.12 -1.05 114.28 128.77 2k4w n THR 27 Ca 0.16 -0.19 0.22 0.00 -3.05 0.00 0.00 64.05 61.19 2k4w n THR 27 Cb 0.32 0.19 0.65 0.00 -1.55 0.00 0.00 70.33 69.94 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 0.11 -0.67 1.09 4.11 -2.00 0.13 114.58 117.35 2k4w h GLU 28 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2k4w h GLU 28 Cb 0.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2k4w h GLU 28 CO 0.08 0.08 0.00 0.41 0.07 0.00 0.00 179.01 179.65 2k4w n GLY 29 N -1.63 2.28 7.00 1.06 0.00 -1.26 -5.01 105.19 107.63 2k4w n GLY 29 Ca 0.14 -0.61 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 0.61 1.18 3.59 -0.02 0.00 0.45 -1.59 105.19 109.41 2k4w n GLY 30 Ca 0.19 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 3.50 -0.50 0.99 1.43 -0.93 -0.70 118.68 122.47 2k4w s LEU 31 Ca 0.00 0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 53.53 2k4w s LEU 31 Cb 0.00 -3.33 0.04 0.00 0.03 0.00 0.00 46.19 42.93 2k4w s LEU 31 CO 0.00 -1.60 0.85 -0.75 0.23 0.00 0.00 176.35 175.09 2k4w s LYS 32 N 5.29 3.35 -0.58 1.70 2.20 -0.00 -1.14 119.74 130.57 2k4w s LYS 32 Ca 0.60 -0.25 -0.24 0.00 -0.36 0.00 0.00 55.97 55.72 2k4w s LYS 32 Cb -0.13 -4.01 0.05 0.00 -1.51 0.00 0.00 37.83 32.22 2k4w s LYS 32 CO 0.30 -1.31 0.96 0.12 -0.36 0.00 0.00 175.35 175.06 2k4w s PHE 33 N 3.56 2.75 -0.34 4.03 5.36 0.77 -1.30 117.98 132.82 2k4w s PHE 33 Ca 0.29 -0.10 -0.03 0.00 -0.96 0.00 0.00 56.93 56.13 2k4w s PHE 33 Cb -0.13 -4.13 0.07 0.00 -0.34 0.00 0.00 43.02 38.49 2k4w s PHE 33 CO 0.20 -1.43 0.08 0.99 -1.46 0.00 0.00 175.22 173.60 2k4w s THR 34 N 4.04 3.17 0.62 0.12 2.01 0.44 -0.64 115.64 125.40 2k4w s THR 34 Ca 0.29 -1.58 -0.09 0.00 0.31 0.00 0.00 61.69 60.62 2k4w s THR 34 Cb -0.13 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2k4w s THR 34 CO 0.18 -0.31 0.99 -2.16 -0.69 0.00 0.00 174.62 172.63 2k4w s PRO 35 N 1.23 3.27 -0.15 4.92 0.04 -1.26 -0.71 135.00 142.34 2k4w s PRO 35 Ca -0.00 0.46 0.13 0.00 0.04 0.00 0.00 61.00 61.63 2k4w s PRO 35 Cb -0.21 -2.14 0.29 0.00 0.04 0.00 0.00 34.50 32.48 2k4w s PRO 35 CO -0.02 -0.67 1.22 -2.39 0.04 0.00 0.00 177.00 175.18 2k4w n HIS 36 N -2.72 -0.43 -3.74 0.56 1.44 -1.17 -4.21 115.22 104.95 2k4w n HIS 36 Ca 0.05 -1.14 -0.36 0.00 -2.01 0.00 0.00 57.72 54.26 2k4w n HIS 36 Cb 0.56 0.59 -0.06 0.00 0.12 0.00 0.00 29.99 31.20 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 -1.89 4.39 -0.14 2.39 1.02 -1.18 -4.64 118.68 118.64 2k4w s LEU 37 Ca 0.13 0.61 0.16 0.00 0.02 0.00 0.00 54.13 55.05 2k4w s LEU 37 Cb 0.26 -2.54 0.31 0.00 0.02 0.00 0.00 46.19 44.24 2k4w s LEU 37 CO -0.08 0.30 1.16 2.29 0.02 0.00 0.00 176.35 180.04 2k4w n LYS 38 N 1.41 1.21 -2.80 1.70 2.85 -1.21 -1.19 118.16 120.13 2k4w n LYS 38 Ca -0.13 -2.63 -0.10 0.00 -1.05 0.00 0.00 58.31 54.40 2k4w n LYS 38 Cb 0.53 -1.40 0.07 0.00 -0.65 0.00 0.00 35.03 33.59 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 -1.16 0.31 -2.53 0.58 0.00 -0.88 -4.68 120.51 112.14 2k4w n ALA 39 Ca 0.15 -1.85 -0.25 0.00 0.00 0.00 0.00 53.44 51.50 2k4w n ALA 39 Cb 0.68 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.52 2.97 0.26 0.00 1.02 -0.47 -5.05 118.68 114.88 2k4w s LEU 40 Ca 0.25 -1.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.09 2k4w s LEU 40 Cb 0.33 -1.33 -0.11 0.00 0.02 0.00 0.00 46.19 45.10 2k4w s LEU 40 CO -0.06 -0.25 1.54 -2.16 0.02 0.00 0.00 176.35 175.44 2k4w s PRO 41 N -3.71 4.19 -0.08 1.29 0.04 -1.26 -4.19 135.00 131.27 2k4w s PRO 41 Ca 0.35 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.85 2k4w s PRO 41 Cb 0.00 -3.07 0.15 0.00 0.04 0.00 0.00 34.50 31.62 2k4w s PRO 41 CO 0.19 -0.55 1.08 -0.35 0.04 0.00 0.00 177.00 177.41 2k4w n PRO 42 N 2.49 1.41 0.00 0.56 -0.04 -1.26 -4.74 135.00 133.42 2k4w n PRO 42 Ca 0.09 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2k4w n PRO 42 Cb 0.38 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.15 1.75 3.27 0.55 0.00 -1.26 -3.94 105.19 105.71 2k4w n GLY 43 Ca 0.11 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 4.48 2.42 0.03 1.61 2.02 -1.26 -0.92 118.70 127.07 2k4w s GLU 44 Ca 0.00 -0.90 0.07 0.00 0.02 0.00 0.00 54.97 54.15 2k4w s GLU 44 Cb 0.00 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 2k4w s GLU 44 CO 0.00 0.42 -0.20 -1.01 0.02 0.00 0.00 175.26 174.49 2k4w s HIS 45 N -0.27 1.78 0.63 1.61 3.76 -0.33 -1.79 115.29 120.67 2k4w s HIS 45 Ca -0.00 -0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 54.38 2k4w s HIS 45 Cb -0.13 -1.08 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 2k4w s HIS 45 CO 0.02 0.06 1.11 0.20 -0.85 0.00 0.00 174.74 175.29 2k4w s GLY 46 N -0.99 2.28 -0.17 -2.22 0.00 0.26 0.14 107.32 106.63 2k4w s GLY 46 Ca 0.07 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.41 2k4w s GLY 46 CO 0.01 0.97 -0.13 -0.12 0.00 0.00 0.00 173.10 173.82 2k4w s PHE 47 N -2.19 2.29 0.29 1.90 5.36 -1.26 -0.84 117.98 123.53 2k4w s PHE 47 Ca 0.68 -1.37 0.10 0.00 -0.96 0.00 0.00 56.93 55.39 2k4w s PHE 47 Cb -0.21 -1.63 -0.05 0.00 -0.34 0.00 0.00 43.02 40.78 2k4w s PHE 47 CO 0.37 -0.70 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.34 2k4w s HIS 48 N 1.44 2.50 0.04 10.12 3.76 -0.80 -1.87 115.29 130.48 2k4w s HIS 48 Ca 0.03 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 2k4w s HIS 48 Cb -0.14 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 2k4w s HIS 48 CO -0.10 0.64 0.12 0.42 -0.85 0.00 0.00 174.74 174.97 2k4w s ILE 49 N -2.44 4.91 0.02 0.60 1.01 0.11 -1.11 121.20 124.31 2k4w s ILE 49 Ca 0.31 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2k4w s ILE 49 Cb -0.05 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 2k4w s ILE 49 CO 0.18 0.23 -0.08 -1.00 0.00 0.00 0.00 174.94 174.26 2k4w s HIS 50 N -1.35 0.73 0.26 3.97 3.76 0.06 -3.97 115.29 118.75 2k4w s HIS 50 Ca 0.28 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.85 2k4w s HIS 50 Cb -0.12 -0.44 0.33 0.00 1.11 0.00 0.00 32.58 33.46 2k4w s HIS 50 CO 0.20 -0.03 1.78 0.00 -0.85 0.00 0.00 174.74 175.85 2k4w h ALA 51 N 5.15 1.13 -3.82 -1.40 0.00 -0.56 -2.50 119.26 117.26 2k4w h ALA 51 Ca -0.33 -0.23 -0.68 0.00 0.00 0.00 0.00 54.91 53.66 2k4w h ALA 51 Cb 1.19 -0.22 -0.20 0.00 0.00 0.00 0.00 17.79 18.56 2k4w h ALA 51 CO 0.45 0.57 -0.81 -0.80 0.00 0.00 0.00 179.25 178.66 2k4w s ASN 52 N -6.58 3.78 -1.37 0.00 0.01 0.22 -4.65 114.94 106.34 2k4w s ASN 52 Ca -0.10 -0.55 -0.14 0.00 -0.71 0.00 0.00 52.86 51.36 2k4w s ASN 52 Cb 0.15 -0.52 0.08 0.00 0.41 0.00 0.00 41.25 41.37 2k4w s ASN 52 CO 0.81 0.20 2.01 0.61 -1.51 0.00 0.00 177.10 179.22 2k4w n GLY 53 N 1.02 4.08 3.13 0.66 0.00 -0.60 -3.27 105.19 110.22 2k4w n GLY 53 Ca -0.16 -1.71 0.03 0.00 0.00 0.00 0.00 46.02 44.19 2k4w n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k4w s SER 54 N 2.86 -1.25 0.00 1.61 0.15 -1.26 -4.92 113.70 110.89 2k4w s SER 54 Ca 0.46 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2k4w s SER 54 Cb 0.10 1.71 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 2k4w s SER 54 CO -0.03 -0.19 0.17 0.00 1.20 0.00 0.00 173.24 174.39 2k4w s GLN 56 N -0.53 4.43 0.56 0.00 -1.52 -1.26 -4.73 119.66 116.62 2k4w s GLN 56 Ca 0.00 0.91 0.04 0.00 -1.95 0.00 0.00 55.36 54.36 2k4w s GLN 56 Cb 0.00 -3.46 0.06 0.00 -0.22 0.00 0.00 33.01 29.39 2k4w s GLN 56 CO 0.00 0.02 0.78 -1.25 -0.25 0.00 0.00 175.29 174.59 2k4w s PRO 57 N 0.94 2.37 0.13 2.91 0.04 -1.26 -0.93 135.00 139.19 2k4w s PRO 57 Ca 0.38 -1.11 0.07 0.00 0.04 0.00 0.00 61.00 60.38 2k4w s PRO 57 Cb -0.18 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 2k4w s PRO 57 CO 0.18 -0.81 -0.16 0.00 0.04 0.00 0.00 177.00 176.25 2k4w s ALA 58 N -2.74 1.69 -0.38 8.56 0.00 -1.26 -4.89 121.76 122.73 2k4w s ALA 58 Ca 0.60 -1.34 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 2k4w s ALA 58 Cb -0.08 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2k4w s ALA 58 CO 0.39 0.18 0.89 0.42 0.00 0.00 0.00 175.76 177.64 2k4w s ILE 59 N -1.95 4.60 -0.05 0.00 -1.09 -1.26 -1.05 121.20 120.40 2k4w s ILE 59 Ca 0.10 1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 59.54 2k4w s ILE 59 Cb -0.06 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.53 2k4w s ILE 59 CO 0.04 -0.57 0.04 -0.75 -1.23 0.00 0.00 174.94 172.47 2k4w s LYS 60 N 3.43 0.16 -1.42 2.79 2.20 -0.33 -4.81 119.74 121.76 2k4w s LYS 60 Ca 0.36 0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 56.13 2k4w s LYS 60 Cb -0.12 -0.63 0.04 0.00 -1.51 0.00 0.00 37.83 35.61 2k4w s LYS 60 CO 0.20 -0.30 1.12 -0.25 -0.36 0.00 0.00 175.35 175.76 2k4w n ASP 61 N 5.10 -5.88 0.00 1.43 9.92 -1.26 -2.95 116.55 122.91 2k4w n ASP 61 Ca -0.08 -0.62 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 2k4w n ASP 61 Cb 0.50 -4.64 0.00 0.00 -0.64 0.00 0.00 41.12 36.34 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k4w n GLY 62 N -1.91 0.44 3.04 0.44 0.00 -1.26 -5.01 105.19 100.93 2k4w n GLY 62 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.26 0.49 -0.37 1.61 -2.07 -1.15 -5.14 119.66 112.76 2k4w s GLN 63 Ca 0.00 -0.89 -0.16 0.00 -1.82 0.00 0.00 55.36 52.49 2k4w s GLN 63 Cb 0.00 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 2k4w s GLN 63 CO 0.00 -0.05 0.37 0.00 -1.32 0.00 0.00 175.29 174.29 2k4w s ALA 64 N -2.43 3.47 0.00 2.60 0.00 -1.26 -1.19 121.76 122.96 2k4w s ALA 64 Ca -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2k4w s ALA 64 Cb -0.03 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2k4w s ALA 64 CO -0.04 -1.26 1.10 1.33 0.00 0.00 0.00 175.76 176.88 2k4w n VAL 65 N 5.28 1.10 0.00 0.00 0.24 -0.21 -4.85 118.33 119.88 2k4w n VAL 65 Ca -0.09 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2k4w n VAL 65 Cb 0.49 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k4w n ALA 66 N 0.93 0.00 0.00 2.33 0.00 -1.26 -4.16 120.51 118.35 2k4w n ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k4w n ALA 66 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 67 N 0.00 0.00 -0.06 0.00 0.00 -1.26 -4.56 120.51 114.62 2k4w n ALA 67 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2k4w n ALA 67 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2k4w n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4w n GLU 68 N 0.00 0.48 0.32 0.00 2.13 -0.11 -4.59 120.64 118.87 2k4w n GLU 68 Ca 0.00 0.06 0.22 0.00 0.66 0.00 0.00 57.16 58.10 2k4w n GLU 68 Cb 0.00 -1.25 1.13 0.00 0.27 0.00 0.00 31.44 31.60 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4w h ALA 69 N 0.04 1.00 0.00 4.31 0.00 -1.55 -1.80 119.26 121.25 2k4w h ALA 69 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k4w h ALA 69 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2k4w h ALA 69 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2k4w n ALA 70 N -2.07 1.70 -0.07 0.00 0.00 -0.06 -4.56 120.51 115.45 2k4w n ALA 70 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.37 2k4w n ALA 70 Cb 0.10 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.02 -2.18 3.87 0.00 0.00 -0.68 -0.61 105.19 105.57 2k4w n GLY 71 Ca 0.04 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 2k4w n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4w s GLY 72 N -1.92 1.77 0.00 -0.02 0.00 -1.26 -4.54 107.32 101.35 2k4w s GLY 72 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.46 2k4w s GLY 72 CO 0.00 -0.41 0.69 1.42 0.00 0.00 0.00 173.10 174.80 2k4w n HIS 73 N -4.05 0.00 -2.43 1.90 8.25 -1.26 -1.60 115.22 116.02 2k4w n HIS 73 Ca 0.16 -0.35 -0.01 0.00 -0.26 0.00 0.00 57.72 57.27 2k4w n HIS 73 Cb 0.59 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 0.80 -6.57 -3.51 2.41 7.94 -1.25 -2.32 117.00 114.50 2k4w n LEU 74 Ca 0.00 1.01 -0.00 0.00 -1.11 0.00 0.00 56.01 55.91 2k4w n LEU 74 Cb 0.31 -2.79 -0.04 0.00 0.53 0.00 0.00 43.42 41.43 2k4w n LEU 74 CO 0.00 -2.37 0.50 -0.62 -1.11 0.00 0.00 177.39 173.78 2k4w s ASP 75 N -1.35 -0.76 0.08 1.96 2.15 -1.26 -2.79 116.67 114.69 2k4w s ASP 75 Ca 0.02 1.07 0.24 0.00 0.43 0.00 0.00 52.55 54.31 2k4w s ASP 75 Cb -0.01 1.80 0.26 0.00 -0.30 0.00 0.00 42.92 44.68 2k4w s ASP 75 CO 0.59 -0.15 1.23 -0.81 -0.17 0.00 0.00 175.17 175.86 2k4w n PRO 76 N 4.96 0.25 0.00 4.34 -0.04 -1.26 -4.84 135.00 138.42 2k4w n PRO 76 Ca -0.11 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2k4w n PRO 76 Cb 0.52 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2k4w n PRO 76 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k4w n GLN 77 N -1.98 0.00 0.07 0.54 1.13 -1.26 -5.00 117.38 110.89 2k4w n GLN 77 Ca 0.03 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.14 2k4w n GLN 77 Cb 0.42 -0.14 0.48 0.00 0.11 0.00 0.00 30.24 31.11 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2k4w h ASN 78 N 0.00 0.34 0.00 1.08 2.35 -1.93 -3.43 115.58 113.99 2k4w h ASN 78 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k4w h ASN 78 Cb 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2k4w h ASN 78 CO 0.00 0.26 0.00 1.07 -1.65 0.00 0.00 177.43 177.11 2k4w n THR 79 N -4.48 0.00 -0.96 2.81 5.66 -1.26 -4.90 114.28 111.16 2k4w n THR 79 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2k4w n THR 79 Cb 0.08 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 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 0.62 0.17 1.09 0.00 -1.12 -4.93 105.19 101.02 2k4w n GLY 80 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2k4w n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k4w h LYS 81 N 1.64 0.00 0.00 1.61 1.79 -1.89 -3.47 116.57 116.25 2k4w h LYS 81 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k4w h LYS 81 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2k4w h LYS 81 CO 0.00 0.43 0.00 1.58 -1.08 0.00 0.00 179.45 180.38 2k4w n HIS 82 N -3.44 0.00 -2.34 -1.35 -0.00 -1.12 -4.95 115.22 102.02 2k4w n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k4w n HIS 82 Cb 0.58 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 2k4w n HIS 82 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 2k4w n GLU 83 N 1.84 3.99 0.00 1.57 0.28 -1.26 -4.44 120.64 122.62 2k4w n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2k4w n GLU 83 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 84 N 5.00 0.01 0.25 -1.84 0.00 -1.26 -2.78 105.19 104.56 2k4w n GLY 84 Ca 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.29 2k4w n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4w h PRO 85 N 0.00 0.00 -0.00 1.61 0.13 -1.96 -2.43 132.00 129.35 2k4w h PRO 85 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k4w h PRO 85 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k4w h PRO 85 CO 0.00 0.15 -0.22 0.39 -0.23 0.00 0.00 178.00 178.09 2k4w n GLU 86 N -3.96 0.07 -1.40 0.86 1.02 -1.26 -4.98 120.64 111.00 2k4w n GLU 86 Ca -0.02 -0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 56.96 2k4w n GLU 86 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4w n GLY 87 N 1.48 1.43 2.54 0.62 0.00 -0.92 -4.97 105.19 105.38 2k4w n GLY 87 Ca 0.07 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2k4w n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4w s GLN 88 N -3.15 0.18 0.00 1.61 0.74 -1.26 -4.93 119.66 112.85 2k4w s GLN 88 Ca 0.00 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 54.90 2k4w s GLN 88 Cb 0.00 -1.20 0.00 0.00 1.10 0.00 0.00 33.01 32.91 2k4w s GLN 88 CO 0.00 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 2k4w n GLY 89 N 5.25 0.45 3.63 2.59 0.00 -1.26 -4.58 105.19 111.28 2k4w n GLY 89 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 2k4w n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 90 N 0.00 -1.01 0.31 1.61 3.76 -1.26 -2.79 115.29 115.90 2k4w s HIS 90 Ca 0.00 1.97 0.34 0.00 -0.15 0.00 0.00 55.06 57.23 2k4w s HIS 90 Cb 0.00 0.61 1.61 0.00 1.11 0.00 0.00 32.58 35.91 2k4w s HIS 90 CO 0.00 -0.50 2.09 1.37 -0.85 0.00 0.00 174.74 176.84 2k4w h LEU 91 N 7.00 0.00 -1.98 0.89 -0.00 -1.73 -2.86 115.31 116.63 2k4w h LEU 91 Ca -0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.56 2k4w h LEU 91 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.84 2k4w h LEU 91 CO 0.16 0.05 0.06 0.61 -0.00 0.00 0.00 178.44 179.31 2k4w n GLY 92 N -0.39 2.16 3.79 0.17 0.00 -0.98 -4.82 105.19 105.13 2k4w n GLY 92 Ca -0.01 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.05 6.40 0.18 1.61 1.01 -1.08 -0.71 116.67 124.02 2k4w s ASP 93 Ca 0.16 0.47 0.05 0.00 0.71 0.00 0.00 52.55 53.94 2k4w s ASP 93 Cb 0.12 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 2k4w s ASP 93 CO 0.04 0.25 -0.09 -0.76 0.21 0.00 0.00 175.17 174.81 2k4w s LEU 94 N -0.21 2.48 0.92 1.23 1.02 -0.78 -4.99 118.68 118.34 2k4w s LEU 94 Ca 0.14 -1.05 -0.12 0.00 0.02 0.00 0.00 54.13 53.12 2k4w s LEU 94 Cb -0.13 -0.41 0.14 0.00 0.02 0.00 0.00 46.19 45.82 2k4w s LEU 94 CO 0.03 -0.33 1.10 -2.16 0.02 0.00 0.00 176.35 175.02 2k4w s PRO 95 N -3.74 1.05 0.42 1.29 0.04 -1.26 -4.15 135.00 128.64 2k4w s PRO 95 Ca 0.20 0.55 -0.23 0.00 0.04 0.00 0.00 61.00 61.56 2k4w s PRO 95 Cb 0.02 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2k4w s PRO 95 CO 0.04 -2.32 1.03 0.14 0.04 0.00 0.00 177.00 175.93 2k4w s VAL 96 N -3.07 3.82 -0.58 -0.36 -7.23 -1.26 -4.13 120.40 107.59 2k4w s VAL 96 Ca 0.64 1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 62.00 2k4w s VAL 96 Cb -0.17 -3.64 0.15 0.00 0.56 0.00 0.00 36.38 33.28 2k4w s VAL 96 CO 0.56 -0.07 0.49 -0.22 -0.31 0.00 0.00 175.10 175.55 2k4w s LEU 97 N -2.85 6.02 0.32 1.32 0.20 0.12 -4.94 118.68 118.87 2k4w s LEU 97 Ca 0.60 -2.12 -0.20 0.00 0.69 0.00 0.00 54.13 53.09 2k4w s LEU 97 Cb -0.19 -2.10 -0.09 0.00 -0.43 0.00 0.00 46.19 43.37 2k4w s LEU 97 CO 0.24 -0.69 0.83 -0.69 -0.29 0.00 0.00 176.35 175.75 2k4w s VAL 98 N 1.05 4.48 0.01 1.68 1.01 -1.26 -1.18 120.40 126.19 2k4w s VAL 98 Ca 0.08 1.36 0.06 0.00 0.00 0.00 0.00 61.98 63.49 2k4w s VAL 98 Cb -0.24 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2k4w s VAL 98 CO -0.02 -0.04 -0.19 -0.69 0.00 0.00 0.00 175.10 174.16 2k4w s VAL 99 N -1.83 1.50 0.75 2.92 1.01 -0.10 -4.34 120.40 120.32 2k4w s VAL 99 Ca 0.52 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2k4w s VAL 99 Cb -0.13 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.01 2k4w s VAL 99 CO 0.19 0.29 1.08 0.54 0.00 0.00 0.00 175.10 177.20 2k4w s ASN 100 N -0.78 4.78 0.00 3.32 6.03 0.06 -4.34 114.94 124.00 2k4w s ASN 100 Ca 0.07 1.73 0.00 0.00 -1.03 0.00 0.00 52.86 53.63 2k4w s ASN 100 Cb -0.08 -2.49 0.00 0.00 -3.03 0.00 0.00 41.25 35.65 2k4w s ASN 100 CO 0.00 -1.85 0.65 -0.46 -2.03 0.00 0.00 177.10 173.41 2k4w n ASN 101 N -3.40 0.00 -0.00 3.54 6.94 -1.25 -1.43 115.26 119.66 2k4w n ASN 101 Ca 0.08 0.18 0.04 0.00 -0.02 0.00 0.00 54.58 54.87 2k4w n ASN 101 Cb 0.53 -0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.72 2k4w n ASN 101 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k4w n ASP 102 N -1.15 0.72 0.00 0.53 8.00 -1.26 -4.89 116.55 118.51 2k4w n ASP 102 Ca 0.00 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.88 2k4w n ASP 102 Cb 0.03 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 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 1.30 1.74 3.24 0.44 0.00 -0.51 -4.87 105.19 106.53 2k4w n GLY 103 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 1.92 -0.15 -0.61 1.01 -1.26 -1.37 121.20 118.74 2k4w s ILE 104 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 2k4w s ILE 104 Cb 0.00 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 2k4w s ILE 104 CO 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 174.94 175.42 2k4w s ALA 105 N -0.18 2.91 0.00 9.38 0.00 -0.33 -0.76 121.76 132.79 2k4w s ALA 105 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2k4w s ALA 105 Cb -0.13 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2k4w s ALA 105 CO 0.03 0.23 0.28 -2.37 0.00 0.00 0.00 175.76 173.93 2k4w n THR 106 N 3.50 0.00 -3.26 0.00 5.66 -1.26 -3.05 114.28 115.88 2k4w n THR 106 Ca -0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.44 2k4w n THR 106 Cb 0.53 0.55 -0.06 0.00 -1.55 0.00 0.00 70.33 69.80 2k4w n THR 106 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2k4w s GLU 107 N 0.00 4.35 -0.99 1.09 -1.05 -1.26 -4.71 118.70 116.12 2k4w s GLU 107 Ca 0.00 0.56 -0.24 0.00 -0.15 0.00 0.00 54.97 55.14 2k4w s GLU 107 Cb 0.00 -3.43 -0.04 0.00 -0.44 0.00 0.00 34.13 30.22 2k4w s GLU 107 CO 0.00 0.17 1.89 -1.25 0.95 0.00 0.00 175.26 177.01 2k4w s PRO 108 N 0.56 2.69 0.74 -4.83 0.04 -1.26 -4.16 135.00 128.79 2k4w s PRO 108 Ca 0.29 -0.64 -0.11 0.00 0.04 0.00 0.00 61.00 60.58 2k4w s PRO 108 Cb -0.16 -5.15 0.04 0.00 0.04 0.00 0.00 34.50 29.27 2k4w s PRO 108 CO 0.12 -3.37 1.08 0.08 0.04 0.00 0.00 177.00 174.95 2k4w s VAL 109 N 9.60 3.62 -0.05 -0.36 1.01 0.19 -4.83 120.40 129.57 2k4w s VAL 109 Ca 0.67 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 2k4w s VAL 109 Cb -0.04 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2k4w s VAL 109 CO 0.02 -0.69 0.12 -0.89 0.00 0.00 0.00 175.10 173.66 2k4w s THR 110 N -2.98 -0.04 -0.46 3.92 2.01 -1.26 -0.16 115.64 116.67 2k4w s THR 110 Ca 0.60 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2k4w s THR 110 Cb -0.16 -0.20 0.13 0.00 0.01 0.00 0.00 72.50 72.28 2k4w s THR 110 CO 0.56 0.06 0.23 0.00 -0.69 0.00 0.00 174.62 174.77 2k4w s ALA 111 N 0.95 2.66 -2.00 7.40 0.00 -0.29 -4.89 121.76 125.59 2k4w s ALA 111 Ca -0.07 -2.83 0.20 0.00 0.00 0.00 0.00 51.96 49.25 2k4w s ALA 111 Cb -0.10 -2.00 1.18 0.00 0.00 0.00 0.00 23.12 22.20 2k4w s ALA 111 CO -0.04 -2.00 1.64 -0.35 0.00 0.00 0.00 175.76 175.01 2k4w n PRO 112 N 3.48 0.82 0.19 0.00 -0.04 -0.62 -2.18 135.00 136.64 2k4w n PRO 112 Ca 0.06 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.57 2k4w n PRO 112 Cb 0.34 -1.38 0.33 0.00 -0.04 0.00 0.00 33.50 32.76 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 -6.37 0.54 3.08 -1.94 -3.44 114.38 106.24 2k4w h ARG 113 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2k4w h ARG 113 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 2k4w h ARG 113 CO 0.00 0.38 -0.67 -0.51 -1.07 0.00 0.00 179.97 178.10 2k4w s LEU 114 N -7.11 3.37 -0.00 3.04 2.01 -1.22 -5.06 118.68 113.71 2k4w s LEU 114 Ca -0.00 -0.27 0.00 0.00 0.01 0.00 0.00 54.13 53.88 2k4w s LEU 114 Cb 0.11 -2.09 0.01 0.00 0.01 0.00 0.00 46.19 44.23 2k4w s LEU 114 CO 0.69 0.15 0.68 0.29 1.01 0.00 0.00 176.35 179.16 2k4w n LYS 115 N 0.35 0.23 -3.50 1.70 4.76 -1.26 -3.95 118.16 116.48 2k4w n LYS 115 Ca -0.11 -0.74 -0.16 0.00 -2.87 0.00 0.00 58.31 54.43 2k4w n LYS 115 Cb 0.53 -0.56 -0.05 0.00 -1.84 0.00 0.00 35.03 33.11 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k4w s SER 116 N -0.39 -0.62 0.55 4.39 0.15 -1.26 -4.97 113.70 111.55 2k4w s SER 116 Ca 0.01 0.54 0.24 0.00 0.70 0.00 0.00 55.95 57.43 2k4w s SER 116 Cb 0.01 0.53 1.45 0.00 -1.71 0.00 0.00 66.02 66.30 2k4w s SER 116 CO 0.00 -0.66 2.08 -0.07 1.20 0.00 0.00 173.24 175.78 2k4w h LEU 117 N 2.75 0.00 -2.03 3.45 -0.00 -1.98 -2.42 115.31 115.08 2k4w h LEU 117 Ca -0.28 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.73 2k4w h LEU 117 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2k4w h LEU 117 CO 0.38 0.00 0.36 0.44 -0.00 0.00 0.00 178.44 179.62 2k4w h ASP 118 N 0.00 0.00 0.89 -0.43 3.32 -1.99 0.32 116.42 118.54 2k4w h ASP 118 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k4w h ASP 118 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2k4w h ASP 118 CO -0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 2k4w n GLU 119 N -4.20 0.12 -0.08 3.56 1.02 -0.91 -3.64 120.64 116.52 2k4w n GLU 119 Ca 0.08 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.48 2k4w n GLU 119 Cb 0.56 -1.69 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.92 0.54 0.35 2.62 0.24 0.02 -4.93 118.33 115.26 2k4w n VAL 120 Ca 0.04 -0.58 0.03 0.00 -2.04 0.00 0.00 64.34 61.79 2k4w n VAL 120 Cb 0.28 0.63 0.17 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.33 0.16 -0.50 7.34 2.85 -0.71 -2.01 118.16 124.96 2k4w n LYS 121 Ca 0.02 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2k4w n LYS 121 Cb 0.46 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.09 0.00 -3.94 -5.58 2.03 -1.26 -4.92 116.55 101.79 2k4w n ASP 122 Ca 0.04 -1.69 -0.15 0.00 0.52 0.00 0.00 54.79 53.51 2k4w n ASP 122 Cb 0.03 -0.14 0.02 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.00 0.84 -4.45 -0.67 5.02 -0.85 -1.56 118.16 116.49 2k4w n LYS 123 Ca 0.00 -2.20 -0.24 0.00 -2.02 0.00 0.00 58.31 53.85 2k4w n LYS 123 Cb 0.64 0.04 -0.10 0.00 -0.02 0.00 0.00 35.03 35.59 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 -2.50 2.81 0.00 7.82 0.00 -0.94 -1.47 121.76 127.48 2k4w s ALA 124 Ca 0.31 -1.87 0.06 0.00 0.00 0.00 0.00 51.96 50.46 2k4w s ALA 124 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2k4w s ALA 124 CO 0.20 0.26 -0.18 -0.51 0.00 0.00 0.00 175.76 175.53 2k4w s LEU 125 N -3.54 2.07 -0.01 0.00 1.43 -0.17 -0.76 118.68 117.69 2k4w s LEU 125 Ca 0.30 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2k4w s LEU 125 Cb -0.05 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.29 2k4w s LEU 125 CO 0.16 0.19 -0.10 -0.04 0.23 0.00 0.00 176.35 176.79 2k4w s MET 126 N -0.61 0.86 -0.33 1.70 -1.94 -0.26 -0.75 119.30 117.96 2k4w s MET 126 Ca 0.06 -0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 53.57 2k4w s MET 126 Cb -0.07 -0.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.93 2k4w s MET 126 CO -0.00 0.19 0.25 0.42 -0.01 0.00 0.00 175.02 175.87 2k4w s ILE 127 N -0.11 5.27 0.02 2.53 1.01 0.02 -1.91 121.20 128.04 2k4w s ILE 127 Ca 0.02 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.60 2k4w s ILE 127 Cb -0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2k4w s ILE 127 CO -0.00 0.02 -0.06 -1.00 0.00 0.00 0.00 174.94 173.90 2k4w s HIS 128 N 1.77 2.89 0.31 3.97 3.76 -0.02 -0.60 115.29 127.37 2k4w s HIS 128 Ca 0.07 -0.05 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 2k4w s HIS 128 Cb -0.17 -1.58 0.50 0.00 1.11 0.00 0.00 32.58 32.43 2k4w s HIS 128 CO 0.11 0.39 1.80 0.28 -0.85 0.00 0.00 174.74 176.47 2k4w h VAL 129 N 3.60 1.23 -3.40 -0.90 2.07 -0.16 -2.28 116.25 116.41 2k4w h VAL 129 Ca -0.48 -1.01 -0.65 0.00 0.82 0.00 0.00 66.70 65.37 2k4w h VAL 129 Cb 1.17 1.12 -0.16 0.00 -1.52 0.00 0.00 31.29 31.89 2k4w h VAL 129 CO 0.54 0.33 -0.76 -0.83 0.02 0.00 0.00 177.57 176.87 2k4w s GLY 130 N -3.91 1.73 0.59 2.17 0.00 -1.12 -4.71 107.32 102.07 2k4w s GLY 130 Ca -0.07 -1.39 -0.19 0.00 0.00 0.00 0.00 44.72 43.06 2k4w s GLY 130 CO 0.78 -1.39 1.05 0.61 0.00 0.00 0.00 173.10 174.15 2k4w n GLY 131 N 0.47 -0.09 3.10 0.20 0.00 -0.74 -0.57 105.19 107.55 2k4w n GLY 131 Ca -0.13 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 2k4w n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4w s ASP 132 N -1.20 2.01 0.00 1.61 -1.08 -1.26 -4.68 116.67 112.06 2k4w s ASP 132 Ca 0.75 -0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.45 2k4w s ASP 132 Cb -0.42 -0.66 0.00 0.00 -1.46 0.00 0.00 42.92 40.38 2k4w s ASP 132 CO 0.47 0.12 0.09 -0.46 0.52 0.00 0.00 175.17 175.90 2k4w n ASN 133 N 3.33 0.00 -3.65 -0.34 0.23 -1.26 -4.80 115.26 108.77 2k4w n ASN 133 Ca -0.19 -1.00 -0.41 0.00 -0.53 0.00 0.00 54.58 52.44 2k4w n ASN 133 Cb 0.53 -0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.22 2k4w n ASN 133 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2k4w n MET 134 N 0.00 3.45 -0.03 -3.83 2.81 -1.24 -4.13 117.12 114.15 2k4w n MET 134 Ca 0.00 -2.87 0.00 0.00 -1.81 0.00 0.00 57.70 53.02 2k4w n MET 134 Cb 0.50 -3.01 0.00 0.00 -0.71 0.00 0.00 33.22 30.00 2k4w n MET 134 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2k4w n SER 135 N 4.44 2.45 -3.58 7.83 3.41 -1.12 -4.75 113.62 122.30 2k4w n SER 135 Ca 0.56 -1.57 -0.12 0.00 -0.26 0.00 0.00 58.87 57.47 2k4w n SER 135 Cb 0.33 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.09 -0.49 0.00 4.04 -1.08 -1.26 -4.98 116.67 113.98 2k4w s ASP 136 Ca 0.00 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.70 2k4w s ASP 136 Cb 0.00 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 42.04 2k4w s ASP 136 CO 0.00 -0.36 0.00 0.00 0.52 0.00 0.00 175.17 175.33 2k4w n GLN 137 N 1.24 0.00 0.10 4.34 6.02 -1.26 -4.92 117.38 122.90 2k4w n GLN 137 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.98 2k4w n GLN 137 Cb 0.57 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.98 2k4w n GLN 137 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2k4w h PRO 138 N 0.00 0.00 -6.24 -1.09 0.13 -2.02 -3.47 132.00 119.31 2k4w h PRO 138 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2k4w h PRO 138 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2k4w h PRO 138 CO 0.00 0.00 -0.13 0.15 -0.23 0.00 0.00 178.00 177.79 2k4w s LYS 139 N -3.22 3.95 0.72 0.86 1.02 -1.26 -5.07 119.74 116.73 2k4w s LYS 139 Ca 0.05 0.44 -0.11 0.00 0.02 0.00 0.00 55.97 56.37 2k4w s LYS 139 Cb 0.11 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 2k4w s LYS 139 CO 0.72 0.53 1.07 -1.25 -0.92 0.00 0.00 175.35 175.50 2k4w s PRO 140 N -1.78 2.74 0.00 -1.68 0.04 -1.26 -4.07 135.00 128.99 2k4w s PRO 140 Ca 0.34 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2k4w s PRO 140 Cb -0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2k4w s PRO 140 CO 0.18 -1.26 0.00 -0.11 0.04 0.00 0.00 177.00 175.86 2k4w n LEU 141 N -3.25 0.63 0.00 -3.56 -0.00 -1.26 -3.39 117.00 106.18 2k4w n LEU 141 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2k4w n LEU 141 Cb 0.53 -1.15 0.00 0.00 -0.00 0.00 0.00 43.42 42.80 2k4w n LEU 141 CO 0.55 -0.40 0.00 0.61 -0.00 0.00 0.00 177.39 178.15 2k4w n GLY 142 N -1.62 0.69 4.51 -3.96 0.00 -1.26 -3.90 105.19 99.66 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 -2.13 1.95 0.04 -0.02 0.00 -1.22 -4.62 105.19 99.19 2k4w n GLY 143 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.05 0.04 -0.02 0.00 -1.26 -3.61 105.19 99.28 2k4w n GLY 144 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.11 -0.69 3.78 -0.02 0.00 -1.25 -2.28 105.19 104.63 2k4w n GLY 145 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.93 3.47 -0.06 2.61 -4.23 -1.24 -4.88 115.64 109.39 2k4w s THR 146 Ca 0.00 0.64 -0.05 0.00 -1.18 0.00 0.00 61.69 61.10 2k4w s THR 146 Cb 0.00 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 2k4w s THR 146 CO 0.00 -0.47 0.16 0.00 -0.54 0.00 0.00 174.62 173.78 2k4w s ARG 147 N -4.28 3.44 -0.08 3.99 1.04 -1.26 -0.23 118.95 121.57 2k4w s ARG 147 Ca 0.64 -0.23 0.20 0.00 -1.04 0.00 0.00 55.73 55.31 2k4w s ARG 147 Cb -0.18 -3.14 -0.30 0.00 -2.04 0.00 0.00 34.95 29.29 2k4w s ARG 147 CO 0.43 0.72 0.35 0.98 -0.04 0.00 0.00 175.30 177.75 2k4w n TYR 148 N 1.43 0.04 -3.69 5.89 9.36 0.24 -4.76 117.16 125.66 2k4w n TYR 148 Ca -0.15 0.01 -0.11 0.00 3.32 0.00 0.00 57.90 60.97 2k4w n TYR 148 Cb 0.54 -0.70 -0.06 0.00 -0.63 0.00 0.00 39.34 38.49 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 -3.14 -0.79 0.06 2.98 0.00 -0.85 -4.30 121.76 115.72 2k4w s ALA 149 Ca -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.84 2k4w s ALA 149 Cb 0.11 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2k4w s ALA 149 CO 0.88 -0.55 -0.11 0.00 0.00 0.00 0.00 175.76 175.98 2k4w s GLY 151 N -1.67 -0.29 0.35 0.00 0.00 0.07 -0.76 107.32 105.02 2k4w s GLY 151 Ca -0.06 0.53 -0.29 0.00 0.00 0.00 0.00 44.72 44.91 2k4w s GLY 151 CO 0.01 2.57 1.43 0.54 0.00 0.00 0.00 173.10 177.65 2k4w s VAL 152 N 2.47 2.32 -0.12 1.40 0.11 -1.26 -1.00 120.40 124.32 2k4w s VAL 152 Ca 0.11 0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 59.18 2k4w s VAL 152 Cb -0.15 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 2k4w s VAL 152 CO -0.18 0.07 1.66 -0.63 -3.33 0.00 0.00 175.10 172.69 2k4w s ILE 153 N -1.00 3.61 0.00 7.04 1.09 -0.54 -4.72 121.20 126.68 2k4w s ILE 153 Ca 0.52 0.71 0.00 0.00 -1.10 0.00 0.00 60.65 60.79 2k4w s ILE 153 Cb -0.44 -3.53 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 2k4w s ILE 153 CO 0.58 -0.14 0.00 0.29 -0.10 0.00 0.00 174.94 175.57