#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 2.77 -0.15 0.00 0.01 -1.26 -0.21 113.70 114.86 2k4w s SER 2 Ca 0.00 -0.79 -0.10 0.00 1.31 0.00 0.00 55.95 56.37 2k4w s SER 2 Cb 0.00 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.11 2k4w s SER 2 CO 0.00 0.03 0.38 -0.70 0.41 0.00 0.00 173.24 173.36 2k4w s GLU 3 N -2.41 0.38 -1.18 12.44 2.56 0.30 -5.00 118.70 125.79 2k4w s GLU 3 Ca 0.13 0.69 -0.07 0.00 0.00 0.00 0.00 54.97 55.71 2k4w s GLU 3 Cb -0.08 0.02 0.24 0.00 2.00 0.00 0.00 34.13 36.31 2k4w s GLU 3 CO 0.06 -0.13 1.63 1.17 -0.56 0.00 0.00 175.26 177.43 2k4w n LYS 4 N 3.91 3.97 -2.46 4.30 4.81 -1.26 -1.29 118.16 130.14 2k4w n LYS 4 Ca -0.21 -4.06 -0.43 0.00 -0.87 0.00 0.00 58.31 52.74 2k4w n LYS 4 Cb 0.55 -2.73 -0.02 0.00 0.02 0.00 0.00 35.03 32.85 2k4w n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2k4w s VAL 5 N -1.02 4.33 -0.79 3.15 1.01 -0.40 -4.73 120.40 121.95 2k4w s VAL 5 Ca 0.36 1.59 -0.26 0.00 0.00 0.00 0.00 61.98 63.67 2k4w s VAL 5 Cb 0.05 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2k4w s VAL 5 CO 0.04 -0.19 1.44 -0.83 0.00 0.00 0.00 175.10 175.55 2k4w s GLY 6 N 1.95 0.83 0.03 4.51 0.00 -1.26 -1.33 107.32 112.06 2k4w s GLY 6 Ca 0.53 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 2k4w s GLY 6 CO 0.14 2.81 0.97 1.06 0.00 0.00 0.00 173.10 178.08 2k4w s MET 7 N 5.82 4.60 0.07 2.90 -1.94 -1.02 -4.71 119.30 125.02 2k4w s MET 7 Ca 0.44 1.41 0.00 0.00 -1.71 0.00 0.00 55.69 55.83 2k4w s MET 7 Cb -0.07 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 2k4w s MET 7 CO 0.09 0.03 0.22 -0.80 -0.01 0.00 0.00 175.02 174.55 2k4w s ASN 8 N 0.70 6.36 0.37 3.03 -0.87 0.02 -3.99 114.94 120.56 2k4w s ASN 8 Ca 0.50 0.26 -0.28 0.00 -1.57 0.00 0.00 52.86 51.77 2k4w s ASN 8 Cb -0.22 -1.95 -0.10 0.00 -0.02 0.00 0.00 41.25 38.96 2k4w s ASN 8 CO 0.28 0.16 1.37 -0.76 -2.57 0.00 0.00 177.10 175.58 2k4w s LEU 9 N -2.59 4.32 0.08 0.60 1.43 0.25 -1.39 118.68 121.38 2k4w s LEU 9 Ca 0.35 2.80 0.02 0.00 -1.03 0.00 0.00 54.13 56.27 2k4w s LEU 9 Cb -0.13 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 2k4w s LEU 9 CO 0.28 -0.76 -0.07 0.68 0.23 0.00 0.00 176.35 176.72 2k4w s VAL 10 N -1.17 0.63 0.00 -1.59 -7.23 -0.62 -0.80 120.40 109.62 2k4w s VAL 10 Ca 0.53 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2k4w s VAL 10 Cb -0.42 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.06 2k4w s VAL 10 CO 0.55 -0.79 0.00 1.07 -0.31 0.00 0.00 175.10 175.62 2k4w n THR 11 N 0.25 0.00 0.06 5.32 5.66 -1.17 -4.70 114.28 119.70 2k4w n THR 11 Ca -0.14 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.86 2k4w n THR 11 Cb 0.60 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.41 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 -3.00 1.15 0.58 1.79 0.00 -1.26 -0.50 120.51 119.26 2k4w n ALA 12 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 2k4w n ALA 12 Cb 0.00 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.42 0.29 0.00 0.00 1.13 -1.26 -4.92 117.38 111.20 2k4w n GLN 13 Ca 0.01 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2k4w n GLN 13 Cb 0.02 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.71 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k4w n GLY 14 N 1.35 0.24 3.68 1.08 0.00 0.34 -4.83 105.19 107.05 2k4w n GLY 14 Ca 0.03 -1.08 -0.48 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 0.54 0.00 1.61 0.31 -1.19 -3.06 118.33 116.54 2k4w n VAL 15 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2k4w n VAL 15 Cb 0.00 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 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 4.33 0.95 3.93 2.92 0.00 0.02 -5.02 105.19 112.32 2k4w n GLY 16 Ca 0.22 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 3.23 2.56 -0.09 1.61 1.03 -1.26 -4.81 119.66 121.93 2k4w s GLN 17 Ca 0.00 -1.52 -0.01 0.00 0.04 0.00 0.00 55.36 53.88 2k4w s GLN 17 Cb 0.00 -2.47 -0.03 0.00 0.03 0.00 0.00 33.01 30.54 2k4w s GLN 17 CO 0.00 -0.31 -0.04 0.45 -2.54 0.00 0.00 175.29 172.85 2k4w s SER 18 N -4.24 4.82 0.00 12.60 0.15 -1.26 -0.58 113.70 125.18 2k4w s SER 18 Ca 0.50 -0.01 0.12 0.00 0.70 0.00 0.00 55.95 57.26 2k4w s SER 18 Cb -0.05 -1.39 0.20 0.00 -1.71 0.00 0.00 66.02 63.07 2k4w s SER 18 CO 0.30 0.32 1.06 2.30 1.20 0.00 0.00 173.24 178.42 2k4w n ILE 19 N 2.50 0.45 0.00 6.45 -5.35 -1.26 -5.00 119.36 117.16 2k4w n ILE 19 Ca -0.18 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 2k4w n ILE 19 Cb 0.53 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 0.64 2.62 3.97 3.28 0.00 -1.26 -3.03 105.19 111.42 2k4w n GLY 20 Ca 0.10 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 2.25 -0.10 2.61 -4.23 -1.26 -2.44 115.64 110.47 2k4w s THR 21 Ca 0.00 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 2k4w s THR 21 Cb 0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.11 2k4w s THR 21 CO 0.00 0.00 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.17 2k4w s VAL 22 N -3.14 1.88 -0.27 2.29 1.01 -0.44 -3.24 120.40 118.49 2k4w s VAL 22 Ca 0.64 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 2k4w s VAL 22 Cb -0.07 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2k4w s VAL 22 CO 0.44 0.52 0.97 0.54 0.00 0.00 0.00 175.10 177.57 2k4w s VAL 23 N 0.46 4.68 -0.22 2.92 0.11 -0.01 -1.27 120.40 127.06 2k4w s VAL 23 Ca -0.17 1.74 -0.11 0.00 -2.93 0.00 0.00 61.98 60.51 2k4w s VAL 23 Cb -0.17 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.35 2k4w s VAL 23 CO 0.07 -0.25 0.19 -0.63 -3.33 0.00 0.00 175.10 171.15 2k4w s ILE 24 N 3.21 5.35 -0.11 7.04 1.01 -0.41 -1.02 121.20 136.27 2k4w s ILE 24 Ca 0.41 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2k4w s ILE 24 Cb -0.14 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.82 2k4w s ILE 24 CO 0.10 0.36 -0.10 -0.62 0.00 0.00 0.00 174.94 174.68 2k4w s ASP 25 N 0.83 2.21 0.04 3.58 2.15 0.05 -0.54 116.67 125.00 2k4w s ASP 25 Ca 0.10 -0.34 -0.30 0.00 0.43 0.00 0.00 52.55 52.43 2k4w s ASP 25 Cb -0.13 -0.91 -0.07 0.00 -0.30 0.00 0.00 42.92 41.50 2k4w s ASP 25 CO 0.03 -0.07 1.59 -0.70 -0.17 0.00 0.00 175.17 175.85 2k4w s GLU 26 N 1.44 4.22 0.28 4.34 -6.30 0.71 -0.27 118.70 123.12 2k4w s GLU 26 Ca 0.01 2.22 0.03 0.00 -2.50 0.00 0.00 54.97 54.73 2k4w s GLU 26 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 34.13 30.33 2k4w s GLU 26 CO -0.06 -0.70 0.19 0.95 0.02 0.00 0.00 175.26 175.65 2k4w s THR 27 N 2.72 0.13 0.59 -1.70 -4.23 -0.32 -0.20 115.64 112.64 2k4w s THR 27 Ca 0.71 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.56 2k4w s THR 27 Cb -0.37 -2.50 0.37 0.00 1.34 0.00 0.00 72.50 71.34 2k4w s THR 27 CO 0.30 0.00 2.27 -0.08 -0.54 0.00 0.00 174.62 176.58 2k4w h GLU 28 N 2.31 0.00 -0.60 3.99 4.81 -1.95 0.72 114.58 123.86 2k4w h GLU 28 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2k4w h GLU 28 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2k4w h GLU 28 CO 0.48 0.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 2k4w n GLY 29 N -1.20 1.92 4.98 1.92 0.00 -1.26 -5.00 105.19 106.54 2k4w n GLY 29 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 1.01 -1.36 3.55 -0.02 0.00 0.24 -3.94 105.19 104.67 2k4w n GLY 30 Ca 0.19 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 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 3.26 -0.22 0.99 1.43 -0.78 -1.17 118.68 122.18 2k4w s LEU 31 Ca 0.00 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 2k4w s LEU 31 Cb 0.00 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2k4w s LEU 31 CO 0.00 -2.22 1.43 -0.75 0.23 0.00 0.00 176.35 175.04 2k4w s LYS 32 N 6.47 3.97 -0.33 1.70 2.20 0.62 -0.85 119.74 133.53 2k4w s LYS 32 Ca 0.57 1.57 -0.07 0.00 -0.36 0.00 0.00 55.97 57.69 2k4w s LYS 32 Cb -0.09 -3.92 0.03 0.00 -1.51 0.00 0.00 37.83 32.35 2k4w s LYS 32 CO 0.11 -1.06 0.10 0.12 -0.36 0.00 0.00 175.35 174.26 2k4w s PHE 33 N 4.42 3.22 -0.23 4.03 5.36 0.74 -0.77 117.98 134.75 2k4w s PHE 33 Ca 0.63 -1.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.33 2k4w s PHE 33 Cb -0.22 -2.27 0.04 0.00 -0.34 0.00 0.00 43.02 40.23 2k4w s PHE 33 CO 0.24 -0.68 -0.15 0.99 -1.46 0.00 0.00 175.22 174.16 2k4w s THR 34 N 1.43 2.15 0.51 0.12 2.01 -0.18 -1.31 115.64 120.36 2k4w s THR 34 Ca -0.00 -1.33 -0.06 0.00 0.31 0.00 0.00 61.69 60.61 2k4w s THR 34 Cb -0.19 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 2k4w s THR 34 CO 0.03 0.21 0.83 -2.16 -0.69 0.00 0.00 174.62 172.84 2k4w s PRO 35 N 1.19 3.45 0.00 4.92 0.04 -1.26 -0.83 135.00 142.50 2k4w s PRO 35 Ca -0.03 0.22 0.08 0.00 0.04 0.00 0.00 61.00 61.31 2k4w s PRO 35 Cb -0.17 -2.33 0.13 0.00 0.04 0.00 0.00 34.50 32.17 2k4w s PRO 35 CO -0.08 -0.32 0.96 -2.39 0.04 0.00 0.00 177.00 175.21 2k4w n HIS 36 N -2.36 0.00 -2.88 0.56 1.44 -1.20 -4.24 115.22 106.54 2k4w n HIS 36 Ca 0.02 -0.32 -0.37 0.00 -2.01 0.00 0.00 57.72 55.03 2k4w n HIS 36 Cb 0.55 0.16 -0.06 0.00 0.12 0.00 0.00 29.99 30.76 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 4.40 -0.09 2.39 1.02 -1.21 -4.74 118.68 120.44 2k4w s LEU 37 Ca 0.10 1.72 0.02 0.00 0.02 0.00 0.00 54.13 56.00 2k4w s LEU 37 Cb 0.12 -3.79 0.01 0.00 0.02 0.00 0.00 46.19 42.55 2k4w s LEU 37 CO -0.05 0.01 -0.16 -1.59 0.02 0.00 0.00 176.35 174.57 2k4w s LYS 38 N -1.85 2.24 0.00 1.70 0.00 -1.17 -0.16 119.74 120.50 2k4w s LYS 38 Ca 0.46 -0.59 0.00 0.00 0.00 0.00 0.00 55.97 55.84 2k4w s LYS 38 Cb -0.19 -1.82 0.00 0.00 0.00 0.00 0.00 37.83 35.82 2k4w s LYS 38 CO 0.24 0.03 0.00 0.00 0.00 0.00 0.00 175.35 175.62 2k4w n ALA 39 N 3.88 0.00 -2.74 0.59 0.00 -0.13 -4.85 120.51 117.27 2k4w n ALA 39 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 2k4w n ALA 39 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 4.10 0.27 0.00 1.02 -0.89 -5.04 118.68 118.14 2k4w s LEU 40 Ca 0.00 0.35 -0.31 0.00 0.02 0.00 0.00 54.13 54.20 2k4w s LEU 40 Cb 0.00 -3.19 -0.12 0.00 0.02 0.00 0.00 46.19 42.90 2k4w s LEU 40 CO 0.00 -0.22 1.64 -0.81 0.02 0.00 0.00 176.35 176.98 2k4w n PRO 41 N -1.62 2.74 -1.21 1.29 -0.04 -1.26 -4.36 135.00 130.54 2k4w n PRO 41 Ca -0.06 0.98 -0.25 0.00 -0.04 0.00 0.00 63.50 64.13 2k4w n PRO 41 Cb 0.56 -2.79 0.03 0.00 -0.04 0.00 0.00 33.50 31.26 2k4w n PRO 41 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2k4w n PRO 42 N 2.77 2.22 0.00 0.54 -0.04 -1.26 -4.83 135.00 134.39 2k4w n PRO 42 Ca 0.11 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 2k4w n PRO 42 Cb 0.36 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2k4w n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4w n GLY 43 N 0.12 6.97 3.79 0.55 0.00 -1.25 -3.85 105.19 111.51 2k4w n GLY 43 Ca 0.44 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 1.20 4.48 -0.17 1.61 8.01 -1.26 -1.27 118.70 131.30 2k4w s GLU 44 Ca 0.00 1.22 -0.14 0.00 0.01 0.00 0.00 54.97 56.05 2k4w s GLU 44 Cb 0.00 -2.75 0.05 0.00 -4.31 0.00 0.00 34.13 27.12 2k4w s GLU 44 CO 0.00 0.27 0.44 -1.01 0.01 0.00 0.00 175.26 174.97 2k4w s HIS 45 N -1.66 -0.52 0.83 1.61 3.76 -1.24 -4.43 115.29 113.65 2k4w s HIS 45 Ca 0.50 1.23 -0.12 0.00 -0.15 0.00 0.00 55.06 56.52 2k4w s HIS 45 Cb -0.17 0.19 0.09 0.00 1.11 0.00 0.00 32.58 33.80 2k4w s HIS 45 CO 0.22 -0.26 1.10 0.20 -0.85 0.00 0.00 174.74 175.15 2k4w s GLY 46 N 0.47 1.62 -0.10 -2.22 0.00 -0.07 0.02 107.32 107.04 2k4w s GLY 46 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.50 2k4w s GLY 46 CO -0.02 0.25 -0.07 -0.12 0.00 0.00 0.00 173.10 173.14 2k4w s PHE 47 N -3.11 1.35 0.21 1.90 5.36 -1.19 -1.12 117.98 121.37 2k4w s PHE 47 Ca 0.62 -0.62 0.11 0.00 -0.96 0.00 0.00 56.93 56.08 2k4w s PHE 47 Cb -0.15 -1.13 -0.05 0.00 -0.34 0.00 0.00 43.02 41.35 2k4w s PHE 47 CO 0.55 -0.44 -0.21 -1.01 -1.46 0.00 0.00 175.22 172.65 2k4w s HIS 48 N 1.54 2.13 -0.06 10.12 3.76 -0.98 -1.14 115.29 130.67 2k4w s HIS 48 Ca 0.01 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2k4w s HIS 48 Cb -0.13 -1.02 -0.03 0.00 1.11 0.00 0.00 32.58 32.51 2k4w s HIS 48 CO -0.06 0.50 -0.04 0.42 -0.85 0.00 0.00 174.74 174.72 2k4w s ILE 49 N -2.07 3.93 0.48 0.60 1.01 -0.01 -1.54 121.20 123.61 2k4w s ILE 49 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2k4w s ILE 49 Cb -0.06 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2k4w s ILE 49 CO 0.10 0.55 0.01 1.41 0.00 0.00 0.00 174.94 177.01 2k4w n HIS 50 N 2.02 1.09 0.13 3.97 8.25 -1.11 -4.31 115.22 125.26 2k4w n HIS 50 Ca -0.17 -2.37 -0.00 0.00 -0.26 0.00 0.00 57.72 54.92 2k4w n HIS 50 Cb 0.53 -0.32 0.09 0.00 1.12 0.00 0.00 29.99 31.41 2k4w n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k4w h ALA 51 N 1.24 0.72 -2.24 -1.41 0.00 -1.15 -3.40 119.26 113.02 2k4w h ALA 51 Ca -0.40 -0.58 -0.30 0.00 0.00 0.00 0.00 54.91 53.64 2k4w h ALA 51 Cb 1.21 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 2k4w h ALA 51 CO 0.66 0.79 -0.71 -0.80 0.00 0.00 0.00 179.25 179.19 2k4w s ASN 52 N -6.60 1.60 -1.42 0.00 0.01 0.56 -4.81 114.94 104.27 2k4w s ASN 52 Ca 0.01 -1.01 -0.10 0.00 -0.71 0.00 0.00 52.86 51.05 2k4w s ASN 52 Cb 0.10 0.02 0.06 0.00 0.41 0.00 0.00 41.25 41.84 2k4w s ASN 52 CO 0.75 -0.37 2.33 0.61 -1.51 0.00 0.00 177.10 178.92 2k4w n GLY 53 N -0.14 4.64 2.45 0.66 0.00 -0.45 -2.14 105.19 110.21 2k4w n GLY 53 Ca -0.11 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 2k4w n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k4w n SER 54 N 4.04 -1.15 -1.84 1.61 7.64 -1.26 -4.83 113.62 117.83 2k4w n SER 54 Ca 0.57 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.78 2k4w n SER 54 Cb 0.32 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k4w s GLN 56 N 1.80 1.92 0.35 0.00 -1.52 -1.26 -3.14 119.66 117.81 2k4w s GLN 56 Ca 0.00 -2.07 -0.24 0.00 -1.95 0.00 0.00 55.36 51.10 2k4w s GLN 56 Cb 0.00 -1.64 -0.10 0.00 -0.22 0.00 0.00 33.01 31.05 2k4w s GLN 56 CO 0.00 -0.01 0.94 -1.25 -0.25 0.00 0.00 175.29 174.72 2k4w s PRO 57 N -3.69 4.47 0.17 2.91 0.04 -1.26 -1.76 135.00 135.88 2k4w s PRO 57 Ca 0.34 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 2k4w s PRO 57 Cb 0.08 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2k4w s PRO 57 CO 0.18 0.20 0.36 0.00 0.04 0.00 0.00 177.00 177.78 2k4w s ALA 58 N -1.77 3.85 -0.33 8.56 0.00 -0.68 -4.62 121.76 126.77 2k4w s ALA 58 Ca 0.53 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 2k4w s ALA 58 Cb -0.16 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 20.98 2k4w s ALA 58 CO 0.21 0.53 0.92 0.42 0.00 0.00 0.00 175.76 177.83 2k4w s ILE 59 N -1.79 4.65 -0.09 0.00 -1.09 -1.26 -0.23 121.20 121.39 2k4w s ILE 59 Ca 0.38 1.37 -0.25 0.00 -2.23 0.00 0.00 60.65 59.92 2k4w s ILE 59 Cb -0.11 -4.28 -0.28 0.00 -1.58 0.00 0.00 42.46 36.20 2k4w s ILE 59 CO 0.28 -0.40 0.86 0.50 -1.23 0.00 0.00 174.94 174.95 2k4w h LYS 60 N 8.19 0.17 -0.37 2.79 1.63 -1.83 -3.47 116.57 123.67 2k4w h LYS 60 Ca -0.23 -0.27 0.24 0.00 -0.85 0.00 0.00 60.65 59.54 2k4w h LYS 60 Cb 1.08 0.10 -0.26 0.00 -0.60 0.00 0.00 32.23 32.55 2k4w h LYS 60 CO 0.96 1.11 0.41 0.34 -3.45 0.00 0.00 179.45 178.82 2k4w s ASP 61 N -6.59 -0.23 0.00 4.20 -1.08 -1.26 -5.00 116.67 106.71 2k4w s ASP 61 Ca -0.16 0.29 0.00 0.00 -0.52 0.00 0.00 52.55 52.16 2k4w s ASP 61 Cb -0.01 1.25 0.00 0.00 -1.46 0.00 0.00 42.92 42.71 2k4w s ASP 61 CO 0.76 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 177.02 2k4w n GLY 62 N 4.78 0.33 3.45 2.66 0.00 -1.26 -4.86 105.19 110.29 2k4w n GLY 62 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.46 1.22 -0.04 1.61 -2.07 -1.26 -5.17 119.66 113.49 2k4w s GLN 63 Ca 0.00 -0.28 -0.19 0.00 -1.82 0.00 0.00 55.36 53.07 2k4w s GLN 63 Cb 0.00 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.44 2k4w s GLN 63 CO 0.00 -0.50 0.53 0.00 -1.32 0.00 0.00 175.29 174.00 2k4w s ALA 64 N -3.08 3.51 -0.35 2.60 0.00 -1.26 -2.35 121.76 120.82 2k4w s ALA 64 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 2k4w s ALA 64 Cb -0.01 -2.66 0.09 0.00 0.00 0.00 0.00 23.12 20.54 2k4w s ALA 64 CO -0.07 0.15 0.10 0.08 0.00 0.00 0.00 175.76 176.02 2k4w s VAL 65 N -0.04 2.94 -0.31 0.00 1.01 0.68 -4.95 120.40 119.74 2k4w s VAL 65 Ca 0.28 -1.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.09 2k4w s VAL 65 Cb -0.17 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2k4w s VAL 65 CO 0.14 -0.46 1.78 0.00 0.00 0.00 0.00 175.10 176.56 2k4w s ALA 66 N 1.13 2.94 0.00 5.51 0.00 -1.26 -1.69 121.76 128.38 2k4w s ALA 66 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2k4w s ALA 66 Cb -0.21 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2k4w s ALA 66 CO -0.04 -2.51 0.00 0.00 0.00 0.00 0.00 175.76 173.21 2k4w n ALA 67 N 9.99 0.00 0.38 0.00 0.00 -0.73 -4.92 120.51 125.24 2k4w n ALA 67 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.74 2k4w n ALA 67 Cb 0.46 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.23 2k4w n ALA 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4w n GLU 68 N 0.00 0.05 0.27 0.00 1.02 -1.21 -1.21 120.64 119.56 2k4w n GLU 68 Ca 0.00 0.35 0.16 0.00 -0.02 0.00 0.00 57.16 57.65 2k4w n GLU 68 Cb 0.00 -1.61 0.72 0.00 -0.02 0.00 0.00 31.44 30.53 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4w h ALA 69 N 2.34 1.05 0.00 0.62 0.00 -1.78 -2.74 119.26 118.75 2k4w h ALA 69 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k4w h ALA 69 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k4w h ALA 69 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2k4w n ALA 70 N -2.14 2.55 0.00 0.00 0.00 -0.35 -4.63 120.51 115.94 2k4w n ALA 70 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k4w n ALA 70 Cb 0.29 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.72 -0.02 0.00 0.00 0.00 -1.03 -0.32 105.19 104.53 2k4w n GLY 71 Ca 0.15 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.17 -2.07 2.28 -0.02 0.00 -1.26 -4.51 105.19 99.44 2k4w n GLY 72 Ca 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.95 0.35 -4.05 1.61 8.25 -1.26 -2.79 115.22 115.37 2k4w n HIS 73 Ca 0.00 -1.20 -0.40 0.00 -0.26 0.00 0.00 57.72 55.87 2k4w n HIS 73 Cb 0.00 -1.28 0.00 0.00 1.12 0.00 0.00 29.99 29.83 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 3.03 -0.18 -3.82 2.41 7.94 -1.26 -4.76 117.00 120.36 2k4w n LEU 74 Ca 0.32 -1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 53.79 2k4w n LEU 74 Cb 0.47 -1.37 -0.13 0.00 0.53 0.00 0.00 43.42 42.92 2k4w n LEU 74 CO 0.30 0.68 -0.15 1.51 -1.11 0.00 0.00 177.39 178.62 2k4w s ASP 75 N -3.79 4.07 -0.04 1.96 1.47 -1.26 -4.67 116.67 114.41 2k4w s ASP 75 Ca 0.37 -3.27 -0.06 0.00 1.18 0.00 0.00 52.55 50.77 2k4w s ASP 75 Cb -0.21 -1.38 -0.04 0.00 -0.34 0.00 0.00 42.92 40.96 2k4w s ASP 75 CO 0.85 -0.17 0.36 1.55 0.68 0.00 0.00 175.17 178.43 2k4w h PRO 76 N 6.02 -0.22 -3.25 2.11 0.13 -2.02 -3.47 132.00 131.30 2k4w h PRO 76 Ca 0.06 0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.96 2k4w h PRO 76 Cb 0.85 0.05 -0.32 0.00 0.13 0.00 0.00 31.00 31.71 2k4w h PRO 76 CO 0.62 -0.15 -0.60 -0.65 -0.23 0.00 0.00 178.00 176.99 2k4w s GLN 77 N -2.28 0.09 0.00 0.86 -1.52 -1.26 -5.07 119.66 110.47 2k4w s GLN 77 Ca -0.03 0.38 0.00 0.00 -1.95 0.00 0.00 55.36 53.76 2k4w s GLN 77 Cb 0.00 -0.19 0.00 0.00 -0.22 0.00 0.00 33.01 32.60 2k4w s GLN 77 CO 0.10 -0.18 0.00 0.27 -0.25 0.00 0.00 175.29 175.24 2k4w n ASN 78 N 4.28 0.00 0.00 5.90 0.23 -1.26 -5.04 115.26 119.37 2k4w n ASN 78 Ca -0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.80 2k4w n ASN 78 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2k4w n THR 79 N 0.00 0.00 0.00 5.53 5.66 -1.26 -5.09 114.28 119.12 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 1.77 0.33 1.09 0.00 -1.10 -4.85 105.19 102.44 2k4w n GLY 80 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.72 2k4w n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k4w h LYS 81 N 0.00 -0.03 0.00 1.61 2.10 -1.73 -3.35 116.57 115.17 2k4w h LYS 81 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k4w h LYS 81 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2k4w h LYS 81 CO 0.00 -0.02 0.00 0.72 -2.00 0.00 0.00 179.45 178.15 2k4w n HIS 82 N -5.51 0.00 -2.09 0.07 8.25 0.10 -4.77 115.22 111.27 2k4w n HIS 82 Ca 0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.28 2k4w n HIS 82 Cb 0.41 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.58 2k4w n HIS 82 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2k4w s GLU 83 N -2.00 2.49 0.00 -0.41 -1.05 -1.25 -2.69 118.70 113.79 2k4w s GLU 83 Ca 0.00 0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 2k4w s GLU 83 Cb 0.00 -2.10 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 2k4w s GLU 83 CO 0.00 -1.14 0.00 0.41 0.95 0.00 0.00 175.26 175.48 2k4w n GLY 84 N -2.96 0.90 0.21 -3.83 0.00 -1.26 -4.33 105.19 93.92 2k4w n GLY 84 Ca 0.07 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.90 -3.29 132.00 128.56 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 0.28 -0.02 -0.85 -0.23 0.00 0.00 178.00 177.18 2k4w n GLU 86 N -3.77 0.62 -1.13 0.86 -0.00 -1.26 -5.04 120.64 110.92 2k4w n GLU 86 Ca -0.01 -0.75 -0.04 0.00 -0.00 0.00 0.00 57.16 56.36 2k4w n GLU 86 Cb 0.38 -0.61 -0.02 0.00 -0.00 0.00 0.00 31.44 31.19 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4w n GLY 87 N -0.12 0.66 2.16 -1.84 0.00 -1.24 -4.91 105.19 99.91 2k4w n GLY 87 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2k4w n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k4w n GLN 88 N -1.89 2.32 -0.92 1.61 1.13 -1.09 -4.58 117.38 113.96 2k4w n GLN 88 Ca -0.04 -1.51 -0.04 0.00 -1.94 0.00 0.00 57.00 53.47 2k4w n GLN 88 Cb 0.27 -2.12 0.02 0.00 0.11 0.00 0.00 30.24 28.52 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k4w n GLY 89 N 2.17 0.65 3.06 1.08 0.00 -1.23 -0.72 105.19 110.20 2k4w n GLY 89 Ca 0.48 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 2k4w n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4w s HIS 90 N -0.38 0.47 -0.57 1.61 -3.43 -1.26 -2.69 115.29 109.04 2k4w s HIS 90 Ca 0.11 -0.91 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 2k4w s HIS 90 Cb -0.01 -0.34 0.00 0.00 -1.43 0.00 0.00 32.58 30.80 2k4w s HIS 90 CO 0.08 -0.31 0.34 1.47 -2.00 0.00 0.00 174.74 174.31 2k4w n LEU 91 N 0.53 0.87 -0.73 5.38 -0.00 -1.26 -2.05 117.00 119.74 2k4w n LEU 91 Ca -0.17 -0.44 -0.01 0.00 -0.00 0.00 0.00 56.01 55.39 2k4w n LEU 91 Cb 0.59 -0.23 -0.01 0.00 -0.00 0.00 0.00 43.42 43.76 2k4w n LEU 91 CO 0.26 0.17 0.25 0.61 -0.00 0.00 0.00 177.39 178.68 2k4w n GLY 92 N 0.48 0.78 3.75 1.47 0.00 -1.26 -5.02 105.19 105.39 2k4w n GLY 92 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.67 7.58 -0.00 1.61 1.01 -0.87 -0.83 116.67 124.50 2k4w s ASP 93 Ca 0.04 1.87 -0.05 0.00 0.71 0.00 0.00 52.55 55.12 2k4w s ASP 93 Cb 0.04 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 2k4w s ASP 93 CO -0.02 0.11 0.10 -0.76 0.21 0.00 0.00 175.17 174.82 2k4w s LEU 94 N -0.88 1.67 0.79 1.23 1.02 -0.29 -4.96 118.68 117.27 2k4w s LEU 94 Ca 0.42 -0.16 -0.12 0.00 0.02 0.00 0.00 54.13 54.29 2k4w s LEU 94 Cb -0.25 0.52 0.07 0.00 0.02 0.00 0.00 46.19 46.55 2k4w s LEU 94 CO 0.31 -0.29 1.14 -2.16 0.02 0.00 0.00 176.35 175.37 2k4w s PRO 95 N -1.09 1.89 0.02 1.29 0.04 -1.26 -3.14 135.00 132.74 2k4w s PRO 95 Ca -0.12 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 2k4w s PRO 95 Cb -0.07 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2k4w s PRO 95 CO 0.01 -1.97 1.39 0.14 0.04 0.00 0.00 177.00 176.61 2k4w s VAL 96 N -2.53 3.68 -0.94 -0.36 -7.23 -1.26 -4.34 120.40 107.41 2k4w s VAL 96 Ca 0.67 1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 61.76 2k4w s VAL 96 Cb -0.22 -3.70 -0.10 0.00 0.56 0.00 0.00 36.38 32.91 2k4w s VAL 96 CO 0.52 0.01 2.05 -0.11 -0.31 0.00 0.00 175.10 177.26 2k4w n LEU 97 N 5.13 4.88 -4.74 1.32 -0.00 0.10 -4.86 117.00 118.84 2k4w n LEU 97 Ca 0.13 -3.16 -0.42 0.00 -0.00 0.00 0.00 56.01 52.56 2k4w n LEU 97 Cb 0.44 -1.22 -0.02 0.00 -0.00 0.00 0.00 43.42 42.61 2k4w n LEU 97 CO 0.58 0.15 1.17 -0.69 -0.00 0.00 0.00 177.39 178.60 2k4w s VAL 98 N 4.31 2.48 0.15 1.96 1.01 -1.26 -3.63 120.40 125.42 2k4w s VAL 98 Ca 0.53 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.99 2k4w s VAL 98 Cb 0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2k4w s VAL 98 CO 0.05 0.06 -0.13 0.68 0.00 0.00 0.00 175.10 175.76 2k4w s VAL 99 N 0.21 3.07 0.69 2.92 -7.23 -0.40 -3.81 120.40 115.85 2k4w s VAL 99 Ca 0.62 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 2k4w s VAL 99 Cb -0.44 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.05 2k4w s VAL 99 CO 0.42 -0.00 1.10 0.54 -0.31 0.00 0.00 175.10 176.85 2k4w s ASN 100 N -2.48 4.98 0.63 4.85 6.03 0.16 -3.96 114.94 125.15 2k4w s ASN 100 Ca 0.22 1.89 0.26 0.00 -1.03 0.00 0.00 52.86 54.20 2k4w s ASN 100 Cb -0.10 -2.53 1.35 0.00 -3.03 0.00 0.00 41.25 36.93 2k4w s ASN 100 CO 0.13 -1.72 1.77 -0.55 -2.03 0.00 0.00 177.10 174.70 2k4w h ASN 101 N -0.39 0.00 -0.13 3.54 7.08 -1.89 -1.20 115.58 122.60 2k4w h ASN 101 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2k4w h ASN 101 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 2k4w h ASN 101 CO 0.54 0.00 0.00 0.47 -2.08 0.00 0.00 177.43 176.36 2k4w n ASP 102 N -3.18 1.49 -0.00 6.14 8.00 -1.26 -4.78 116.55 122.96 2k4w n ASP 102 Ca 0.04 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.90 2k4w n ASP 102 Cb 0.64 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 1.11 0.94 2.90 0.44 0.00 -0.45 -4.93 105.19 105.21 2k4w n GLY 103 Ca 0.17 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.01 0.50 -0.06 -0.61 1.01 -1.24 -0.95 121.20 117.84 2k4w s ILE 104 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.24 2k4w s ILE 104 Cb 0.00 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 2k4w s ILE 104 CO 0.00 0.20 0.93 0.00 0.00 0.00 0.00 174.94 176.07 2k4w s ALA 105 N 0.72 3.30 0.00 9.38 0.00 0.77 -0.66 121.76 135.28 2k4w s ALA 105 Ca -0.09 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2k4w s ALA 105 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2k4w s ALA 105 CO 0.00 -0.38 0.00 -2.37 0.00 0.00 0.00 175.76 173.01 2k4w n THR 106 N 4.18 0.00 -1.98 0.00 5.66 -1.26 -3.27 114.28 117.62 2k4w n THR 106 Ca 0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.63 2k4w n THR 106 Cb 0.50 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.25 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 -1.00 4.19 0.48 1.09 0.41 -1.25 -4.50 118.70 118.12 2k4w s GLU 107 Ca 0.00 2.24 -0.19 0.00 -0.41 0.00 0.00 54.97 56.62 2k4w s GLU 107 Cb 0.00 -3.88 -0.09 0.00 -1.78 0.00 0.00 34.13 28.38 2k4w s GLU 107 CO 0.00 -0.81 0.97 -1.25 -0.49 0.00 0.00 175.26 173.68 2k4w s PRO 108 N 3.64 4.05 0.29 0.39 0.04 -1.26 -4.52 135.00 137.62 2k4w s PRO 108 Ca 0.74 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.88 2k4w s PRO 108 Cb -0.35 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 2k4w s PRO 108 CO 0.31 -0.18 0.22 0.14 0.04 0.00 0.00 177.00 177.52 2k4w s VAL 109 N -2.40 0.05 -0.05 -0.36 -7.23 -0.43 -5.03 120.40 104.95 2k4w s VAL 109 Ca 0.61 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.69 2k4w s VAL 109 Cb -0.10 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.36 2k4w s VAL 109 CO 0.23 0.00 0.22 -0.89 -0.31 0.00 0.00 175.10 174.35 2k4w s THR 110 N -3.67 0.03 -0.47 5.32 2.01 -1.26 -0.19 115.64 117.41 2k4w s THR 110 Ca 0.39 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 2k4w s THR 110 Cb 0.04 -0.39 0.11 0.00 0.01 0.00 0.00 72.50 72.27 2k4w s THR 110 CO 0.22 -0.13 0.35 0.00 -0.69 0.00 0.00 174.62 174.37 2k4w s ALA 111 N -0.45 3.42 -1.51 7.40 0.00 -0.03 -4.80 121.76 125.79 2k4w s ALA 111 Ca -0.05 -2.41 0.29 0.00 0.00 0.00 0.00 51.96 49.78 2k4w s ALA 111 Cb -0.04 -2.87 1.18 0.00 0.00 0.00 0.00 23.12 21.39 2k4w s ALA 111 CO 0.01 -1.85 1.84 -0.35 0.00 0.00 0.00 175.76 175.41 2k4w n PRO 112 N 4.99 0.54 0.17 0.00 -0.04 -1.25 -1.87 135.00 137.53 2k4w n PRO 112 Ca -0.10 -0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.32 2k4w n PRO 112 Cb 0.41 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.75 2k4w n PRO 112 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2k4w h ARG 113 N 0.43 0.00 -6.01 0.54 -0.00 -1.95 -3.43 114.38 103.96 2k4w h ARG 113 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 59.42 2k4w h ARG 113 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.32 2k4w h ARG 113 CO 0.00 0.00 -0.48 -0.51 -0.00 0.00 0.00 179.97 178.98 2k4w s LEU 114 N -5.28 4.33 0.00 0.08 1.02 -1.25 -5.03 118.68 112.55 2k4w s LEU 114 Ca 0.07 0.19 0.17 0.00 0.02 0.00 0.00 54.13 54.58 2k4w s LEU 114 Cb 0.09 -2.91 0.27 0.00 0.02 0.00 0.00 46.19 43.66 2k4w s LEU 114 CO 0.59 0.09 1.09 0.29 0.02 0.00 0.00 176.35 178.42 2k4w n LYS 115 N -0.31 0.00 -3.64 1.70 4.01 -1.26 -3.68 118.16 114.98 2k4w n LYS 115 Ca -0.06 -1.60 -0.08 0.00 -0.51 0.00 0.00 58.31 56.05 2k4w n LYS 115 Cb 0.53 0.06 -0.07 0.00 -0.51 0.00 0.00 35.03 35.04 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2k4w s SER 116 N -1.60 -0.73 0.43 4.39 0.01 -1.26 -4.96 113.70 109.97 2k4w s SER 116 Ca 0.22 1.25 0.19 0.00 1.31 0.00 0.00 55.95 58.91 2k4w s SER 116 Cb 0.25 1.29 0.96 0.00 0.21 0.00 0.00 66.02 68.73 2k4w s SER 116 CO -0.11 -0.20 1.89 0.25 0.41 0.00 0.00 173.24 175.48 2k4w h LEU 117 N 5.96 0.00 -1.86 2.44 5.85 -1.96 -2.17 115.31 123.57 2k4w h LEU 117 Ca -0.29 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.62 2k4w h LEU 117 Cb 1.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2k4w h LEU 117 CO 0.14 0.28 0.62 -0.78 -0.34 0.00 0.00 178.44 178.36 2k4w h ASP 118 N 0.00 0.00 0.34 1.25 1.82 -1.99 -1.29 116.42 116.54 2k4w h ASP 118 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k4w h ASP 118 Cb 0.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2k4w h ASP 118 CO 0.04 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.05 2k4w n GLU 119 N -3.80 0.06 -0.26 0.28 1.02 -0.82 -3.55 120.64 113.58 2k4w n GLU 119 Ca 0.13 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2k4w n GLU 119 Cb 0.87 -1.64 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 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 -1.76 0.11 0.91 2.62 0.24 -0.49 -4.97 118.33 114.98 2k4w n VAL 120 Ca 0.02 -0.13 0.01 0.00 -2.04 0.00 0.00 64.34 62.20 2k4w n VAL 120 Cb 0.12 0.68 0.03 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.08 0.45 -1.19 7.34 2.85 -1.21 -2.53 118.16 123.80 2k4w n LYS 121 Ca 0.01 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 2k4w n LYS 121 Cb 0.60 -1.04 -0.03 0.00 -0.65 0.00 0.00 35.03 33.91 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 -0.54 -0.17 -4.52 -5.58 2.03 -1.25 -4.63 116.55 101.89 2k4w n ASP 122 Ca 0.01 -1.98 -0.26 0.00 0.52 0.00 0.00 54.79 53.07 2k4w n ASP 122 Cb 0.00 0.05 -0.10 0.00 -0.72 0.00 0.00 41.12 40.35 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k4w s LYS 123 N 0.00 1.88 0.08 -0.67 -0.14 -1.05 -1.34 119.74 118.50 2k4w s LYS 123 Ca 0.14 -1.40 -0.18 0.00 -1.36 0.00 0.00 55.97 53.17 2k4w s LYS 123 Cb 0.16 -2.03 -0.07 0.00 -1.68 0.00 0.00 37.83 34.21 2k4w s LYS 123 CO -0.07 0.41 0.55 0.00 -0.76 0.00 0.00 175.35 175.48 2k4w s ALA 124 N -1.81 3.60 -0.04 5.17 0.00 -0.91 -1.20 121.76 126.57 2k4w s ALA 124 Ca 0.24 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.19 2k4w s ALA 124 Cb -0.08 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 2k4w s ALA 124 CO 0.14 0.42 -0.07 -0.51 0.00 0.00 0.00 175.76 175.74 2k4w s LEU 125 N -1.32 3.15 -0.02 0.00 1.02 -0.63 -2.76 118.68 118.10 2k4w s LEU 125 Ca 0.31 -0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.40 2k4w s LEU 125 Cb -0.18 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.30 2k4w s LEU 125 CO 0.18 0.33 -0.06 -0.04 0.02 0.00 0.00 176.35 176.78 2k4w s MET 126 N -1.05 0.72 -0.59 1.70 -1.94 -0.59 -1.09 119.30 116.47 2k4w s MET 126 Ca 0.14 -0.20 -0.27 0.00 -1.71 0.00 0.00 55.69 53.66 2k4w s MET 126 Cb -0.11 -0.71 0.03 0.00 2.01 0.00 0.00 34.83 36.06 2k4w s MET 126 CO 0.04 0.05 1.12 0.42 -0.01 0.00 0.00 175.02 176.64 2k4w s ILE 127 N 0.32 4.11 0.00 2.53 1.01 0.17 -2.31 121.20 127.03 2k4w s ILE 127 Ca -0.04 0.64 -0.15 0.00 0.00 0.00 0.00 60.65 61.10 2k4w s ILE 127 Cb -0.08 -4.69 -0.06 0.00 0.01 0.00 0.00 42.46 37.64 2k4w s ILE 127 CO 0.00 -1.32 0.42 -1.00 0.00 0.00 0.00 174.94 173.03 2k4w s HIS 128 N 4.70 3.73 0.17 3.97 3.76 -0.28 -1.00 115.29 130.34 2k4w s HIS 128 Ca 0.38 1.00 -0.08 0.00 -0.15 0.00 0.00 55.06 56.21 2k4w s HIS 128 Cb -0.09 -2.30 0.05 0.00 1.11 0.00 0.00 32.58 31.35 2k4w s HIS 128 CO 0.22 0.63 1.56 0.28 -0.85 0.00 0.00 174.74 176.58 2k4w h VAL 129 N 3.72 1.27 -3.03 -0.90 2.07 -0.83 -1.36 116.25 117.19 2k4w h VAL 129 Ca -0.51 -1.43 -0.60 0.00 0.82 0.00 0.00 66.70 64.98 2k4w h VAL 129 Cb 1.22 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 2k4w h VAL 129 CO 0.62 0.48 -0.28 -0.83 0.02 0.00 0.00 177.57 177.58 2k4w s GLY 130 N -3.81 2.33 0.83 2.17 0.00 -1.26 -4.26 107.32 103.32 2k4w s GLY 130 Ca -0.10 -0.41 -0.13 0.00 0.00 0.00 0.00 44.72 44.08 2k4w s GLY 130 CO 0.86 -0.18 1.15 0.61 0.00 0.00 0.00 173.10 175.54 2k4w n GLY 131 N 1.12 -0.19 2.76 0.20 0.00 -1.26 -0.89 105.19 106.93 2k4w n GLY 131 Ca -0.10 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.28 6.54 0.00 1.61 2.03 -1.26 -4.09 116.55 118.10 2k4w n ASP 132 Ca 0.13 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.68 2k4w n ASP 132 Cb 0.51 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k4w n ASN 133 N -0.39 0.00 -4.68 1.67 0.23 -1.26 -4.83 115.26 105.99 2k4w n ASN 133 Ca 0.47 -1.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.13 2k4w n ASN 133 Cb 0.35 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.98 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 2k4w s MET 134 N 0.00 4.23 0.00 -3.83 -1.94 -1.26 -4.16 119.30 112.34 2k4w s MET 134 Ca 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 55.69 54.34 2k4w s MET 134 Cb 0.00 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.33 2k4w s MET 134 CO 0.00 -0.01 0.00 0.45 -0.01 0.00 0.00 175.02 175.45 2k4w n SER 135 N 4.32 0.00 0.00 3.03 2.88 -1.26 -3.60 113.62 118.98 2k4w n SER 135 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2k4w n SER 135 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k4w n ASP 136 N 0.00 0.00 -4.77 -3.46 2.03 -1.26 -4.81 116.55 104.28 2k4w n ASP 136 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2k4w n ASP 136 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k4w s GLN 137 N 0.00 3.63 0.22 -0.67 -0.21 -1.26 -4.96 119.66 116.41 2k4w s GLN 137 Ca 0.00 1.89 -0.08 0.00 0.02 0.00 0.00 55.36 57.19 2k4w s GLN 137 Cb 0.00 -2.39 0.19 0.00 1.00 0.00 0.00 33.01 31.81 2k4w s GLN 137 CO 0.00 -0.69 1.83 -1.00 -2.12 0.00 0.00 175.29 173.31 2k4w h PRO 138 N 1.94 1.20 -4.35 2.91 0.13 -2.05 -3.07 132.00 128.71 2k4w h PRO 138 Ca -0.50 -0.15 -0.74 0.00 -0.87 0.00 0.00 66.00 63.74 2k4w h PRO 138 Cb 1.26 -0.23 -0.22 0.00 0.13 0.00 0.00 31.00 31.94 2k4w h PRO 138 CO 0.60 0.90 -0.14 0.15 -0.23 0.00 0.00 178.00 179.28 2k4w s LYS 139 N -5.79 3.01 1.09 0.86 1.02 -1.26 -5.08 119.74 113.59 2k4w s LYS 139 Ca -0.13 -1.48 -0.18 0.00 0.02 0.00 0.00 55.97 54.20 2k4w s LYS 139 Cb 0.16 -4.24 0.26 0.00 -0.52 0.00 0.00 37.83 33.48 2k4w s LYS 139 CO 0.82 -1.32 1.25 -1.25 -0.92 0.00 0.00 175.35 173.94 2k4w s PRO 140 N 1.96 -0.41 0.00 -1.68 0.04 -1.16 -4.21 135.00 129.54 2k4w s PRO 140 Ca 0.06 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2k4w s PRO 140 Cb -0.27 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2k4w s PRO 140 CO 0.05 -3.12 0.00 1.28 0.04 0.00 0.00 177.00 175.25 2k4w n LEU 141 N -4.27 0.67 -1.98 -3.56 4.77 -1.24 -3.31 117.00 108.08 2k4w n LEU 141 Ca 0.16 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.95 2k4w n LEU 141 Cb 0.59 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 2k4w n LEU 141 CO 0.43 -0.37 -0.23 0.61 -1.33 0.00 0.00 177.39 176.50 2k4w n GLY 142 N -1.82 0.23 1.41 -0.72 0.00 -1.26 -0.88 105.19 102.16 2k4w n GLY 142 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.90 1.33 0.60 -0.02 0.00 -1.21 -4.96 105.19 100.03 2k4w n GLY 143 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.86 0.08 -0.02 0.00 -0.06 -2.92 105.19 101.13 2k4w n GLY 144 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 3.14 0.00 -1.96 -0.02 0.00 -1.86 -3.42 103.07 98.96 2k4w h GLY 145 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2k4w h GLY 145 CO 0.00 0.00 0.39 -0.51 0.00 0.00 0.00 176.54 176.42 2k4w s THR 146 N -3.16 3.74 -0.04 4.70 -4.23 -1.15 -4.94 115.64 110.56 2k4w s THR 146 Ca 0.07 0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 61.52 2k4w s THR 146 Cb 0.13 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.56 2k4w s THR 146 CO 0.69 -0.32 0.13 0.00 -0.54 0.00 0.00 174.62 174.58 2k4w s ARG 147 N -3.52 0.23 -0.15 3.99 1.04 -1.26 -0.21 118.95 119.07 2k4w s ARG 147 Ca 0.66 0.05 0.09 0.00 -1.04 0.00 0.00 55.73 55.49 2k4w s ARG 147 Cb -0.17 0.11 -0.23 0.00 -2.04 0.00 0.00 34.95 32.62 2k4w s ARG 147 CO 0.26 -0.04 0.24 0.98 -0.04 0.00 0.00 175.30 176.70 2k4w n TYR 148 N 2.65 0.53 -3.79 5.89 9.36 -0.17 -4.79 117.16 126.84 2k4w n TYR 148 Ca -0.15 0.16 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 2k4w n TYR 148 Cb 0.58 -1.08 -0.07 0.00 -0.63 0.00 0.00 39.34 38.13 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 -2.54 -0.55 0.02 2.98 0.00 -1.23 -1.59 121.76 118.85 2k4w s ALA 149 Ca -0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 2k4w s ALA 149 Cb 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2k4w s ALA 149 CO 0.77 -0.43 -0.02 0.00 0.00 0.00 0.00 175.76 176.09 2k4w s GLY 151 N -1.70 0.00 -0.11 0.00 0.00 -0.25 -0.80 107.32 104.47 2k4w s GLY 151 Ca -0.12 0.62 -0.30 0.00 0.00 0.00 0.00 44.72 44.92 2k4w s GLY 151 CO -0.02 1.20 1.17 0.14 0.00 0.00 0.00 173.10 175.59 2k4w s VAL 152 N 1.53 4.38 -0.34 1.40 1.01 -1.26 -1.61 120.40 125.51 2k4w s VAL 152 Ca -0.05 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 2k4w s VAL 152 Cb -0.12 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2k4w s VAL 152 CO -0.06 -0.05 1.33 -0.63 0.00 0.00 0.00 175.10 175.69 2k4w s ILE 153 N 2.60 4.07 -2.00 2.22 1.01 -0.34 -4.84 121.20 123.92 2k4w s ILE 153 Ca 0.53 1.18 0.17 0.00 0.00 0.00 0.00 60.65 62.53 2k4w s ILE 153 Cb -0.22 -4.18 0.47 0.00 0.01 0.00 0.00 42.46 38.54 2k4w s ILE 153 CO 0.18 -0.57 1.40 0.29 0.00 0.00 0.00 174.94 176.24