#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 -0.52 -0.22 0.00 0.01 -1.26 -3.41 113.70 108.29 2k4w s SER 2 Ca 0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2k4w s SER 2 Cb 0.00 0.80 0.06 0.00 0.21 0.00 0.00 66.02 67.09 2k4w s SER 2 CO 0.00 -0.19 -0.06 -0.70 0.41 0.00 0.00 173.24 172.70 2k4w s GLU 3 N 1.30 1.62 -1.33 12.44 2.12 0.83 -4.97 118.70 130.71 2k4w s GLU 3 Ca -0.09 -0.90 -0.17 0.00 0.36 0.00 0.00 54.97 54.17 2k4w s GLU 3 Cb -0.08 -2.49 0.05 0.00 0.26 0.00 0.00 34.13 31.87 2k4w s GLU 3 CO -0.12 -0.56 1.87 0.36 -0.54 0.00 0.00 175.26 176.28 2k4w n LYS 4 N 4.71 3.02 -2.07 4.30 2.85 -1.26 -0.81 118.16 128.89 2k4w n LYS 4 Ca -0.12 -3.05 -0.42 0.00 -1.05 0.00 0.00 58.31 53.66 2k4w n LYS 4 Cb 0.45 -3.45 -0.03 0.00 -0.65 0.00 0.00 35.03 31.35 2k4w n LYS 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2k4w s VAL 5 N 4.27 3.65 -0.67 0.58 1.01 0.13 -4.68 120.40 124.69 2k4w s VAL 5 Ca 0.53 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 2k4w s VAL 5 Cb 0.06 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2k4w s VAL 5 CO 0.04 -0.06 1.71 -0.83 0.00 0.00 0.00 175.10 175.96 2k4w s GLY 6 N 3.02 0.39 -0.75 4.51 0.00 -1.26 -1.05 107.32 112.18 2k4w s GLY 6 Ca 0.70 -0.91 -0.26 0.00 0.00 0.00 0.00 44.72 44.26 2k4w s GLY 6 CO 0.28 3.22 1.58 1.06 0.00 0.00 0.00 173.10 179.23 2k4w s MET 7 N 6.68 2.98 0.30 2.90 -1.94 -1.11 -4.56 119.30 124.54 2k4w s MET 7 Ca 0.59 -0.06 -0.28 0.00 -1.71 0.00 0.00 55.69 54.23 2k4w s MET 7 Cb -0.11 -4.50 -0.09 0.00 2.01 0.00 0.00 34.83 32.14 2k4w s MET 7 CO 0.18 -2.49 1.03 1.21 -0.01 0.00 0.00 175.02 174.94 2k4w s ASN 8 N 5.88 7.28 0.14 3.03 3.84 0.20 -4.07 114.94 131.25 2k4w s ASN 8 Ca 0.51 2.10 -0.31 0.00 0.21 0.00 0.00 52.86 55.37 2k4w s ASN 8 Cb -0.08 -2.61 -0.08 0.00 -0.55 0.00 0.00 41.25 37.92 2k4w s ASN 8 CO 0.12 -0.12 1.38 -0.76 -2.79 0.00 0.00 177.10 174.93 2k4w s LEU 9 N -1.66 4.38 0.08 3.21 1.43 0.35 -0.82 118.68 125.65 2k4w s LEU 9 Ca 0.47 2.36 -0.05 0.00 -1.03 0.00 0.00 54.13 55.88 2k4w s LEU 9 Cb -0.27 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 2k4w s LEU 9 CO 0.34 -0.63 0.09 0.68 0.23 0.00 0.00 176.35 177.06 2k4w s VAL 10 N 0.84 0.17 0.00 -1.59 -7.23 -0.90 -1.13 120.40 110.57 2k4w s VAL 10 Ca 0.63 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2k4w s VAL 10 Cb -0.37 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2k4w s VAL 10 CO 0.32 -0.77 0.00 1.07 -0.31 0.00 0.00 175.10 175.42 2k4w n THR 11 N 0.00 0.00 0.32 5.32 5.66 -1.18 -4.52 114.28 119.88 2k4w n THR 11 Ca -0.13 0.00 0.20 0.00 -3.05 0.00 0.00 64.05 61.07 2k4w n THR 11 Cb 0.62 0.00 1.10 0.00 -1.55 0.00 0.00 70.33 70.50 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w h ALA 12 N 2.00 1.18 0.00 1.79 0.00 -1.85 -0.74 119.26 121.64 2k4w h ALA 12 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 12 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k4w h ALA 12 CO 0.00 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.30 2k4w n GLN 13 N -3.34 0.03 0.00 0.00 3.00 -1.26 -4.66 117.38 111.15 2k4w n GLN 13 Ca -0.03 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 2k4w n GLN 13 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.83 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 14 N 0.34 0.58 3.73 1.08 0.00 -0.28 -4.92 105.19 105.72 2k4w n GLY 14 Ca 0.05 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 4.86 0.00 1.61 1.01 -1.26 -3.12 120.40 123.50 2k4w s VAL 15 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2k4w s VAL 15 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2k4w s VAL 15 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2k4w n GLY 16 N 2.71 0.45 3.27 4.51 0.00 -0.28 -5.02 105.19 110.83 2k4w n GLY 16 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2k4w n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 17 N 1.45 1.20 -0.11 1.61 -2.07 -1.26 -4.92 119.66 115.57 2k4w s GLN 17 Ca 0.00 -1.49 -0.10 0.00 -1.82 0.00 0.00 55.36 51.96 2k4w s GLN 17 Cb 0.00 0.31 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 2k4w s GLN 17 CO 0.00 -0.41 0.21 0.45 -1.32 0.00 0.00 175.29 174.22 2k4w s SER 18 N -3.10 6.47 0.00 12.60 0.15 -1.26 -0.50 113.70 128.06 2k4w s SER 18 Ca 0.31 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2k4w s SER 18 Cb 0.05 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2k4w s SER 18 CO 0.08 0.33 0.73 2.30 1.20 0.00 0.00 173.24 177.89 2k4w n ILE 19 N 2.27 0.49 0.00 6.45 -6.64 -1.26 -5.00 119.36 115.67 2k4w n ILE 19 Ca -0.17 -0.72 0.00 0.00 -1.77 0.00 0.00 62.75 60.09 2k4w n ILE 19 Cb 0.54 0.78 0.00 0.00 -1.44 0.00 0.00 39.64 39.52 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2k4w n GLY 20 N -0.24 0.98 4.01 3.28 0.00 -1.26 -2.58 105.19 109.37 2k4w n GLY 20 Ca 0.00 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 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 2.36 -0.08 2.61 -4.23 -1.26 -2.75 115.64 110.30 2k4w s THR 21 Ca 0.00 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2k4w s THR 21 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.33 2k4w s THR 21 CO 0.00 0.00 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.20 2k4w s VAL 22 N -2.75 1.66 -0.39 2.29 1.01 -0.21 -3.35 120.40 118.65 2k4w s VAL 22 Ca 0.61 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 2k4w s VAL 22 Cb -0.07 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2k4w s VAL 22 CO 0.39 0.47 0.90 0.54 0.00 0.00 0.00 175.10 177.40 2k4w s VAL 23 N 0.42 4.59 -0.12 2.92 0.11 0.46 -0.69 120.40 128.08 2k4w s VAL 23 Ca -0.16 1.02 -0.23 0.00 -2.93 0.00 0.00 61.98 59.69 2k4w s VAL 23 Cb -0.17 -4.34 -0.03 0.00 -1.53 0.00 0.00 36.38 30.32 2k4w s VAL 23 CO 0.06 -0.59 0.69 -0.63 -3.33 0.00 0.00 175.10 171.30 2k4w s ILE 24 N 3.47 5.02 -0.07 7.04 1.01 0.01 -0.63 121.20 137.05 2k4w s ILE 24 Ca 0.36 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.39 2k4w s ILE 24 Cb -0.12 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2k4w s ILE 24 CO 0.20 0.18 -0.06 -0.62 0.00 0.00 0.00 174.94 174.65 2k4w s ASP 25 N 0.95 1.59 0.23 3.58 2.15 -0.30 -0.12 116.67 124.75 2k4w s ASP 25 Ca 0.34 -0.20 -0.24 0.00 0.43 0.00 0.00 52.55 52.88 2k4w s ASP 25 Cb -0.17 -0.63 -0.09 0.00 -0.30 0.00 0.00 42.92 41.74 2k4w s ASP 25 CO 0.14 -0.09 0.82 -1.83 -0.17 0.00 0.00 175.17 174.05 2k4w s GLU 26 N 1.32 4.50 0.36 4.34 -1.05 -1.22 -0.69 118.70 126.26 2k4w s GLU 26 Ca -0.04 1.14 -0.11 0.00 -0.15 0.00 0.00 54.97 55.81 2k4w s GLU 26 Cb -0.14 -3.01 0.05 0.00 -0.44 0.00 0.00 34.13 30.59 2k4w s GLU 26 CO -0.03 0.43 0.68 -2.37 0.95 0.00 0.00 175.26 174.93 2k4w n THR 27 N 1.02 0.00 0.35 1.83 5.66 -0.47 -4.90 114.28 117.77 2k4w n THR 27 Ca -0.02 -1.07 0.13 0.00 -3.05 0.00 0.00 64.05 60.04 2k4w n THR 27 Cb 0.50 0.94 0.56 0.00 -1.55 0.00 0.00 70.33 70.78 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 0.00 -0.30 1.09 4.81 -1.97 0.78 114.58 118.99 2k4w h GLU 28 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2k4w h GLU 28 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2k4w h GLU 28 CO 0.39 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.08 2k4w n GLY 29 N -0.17 0.77 4.89 1.92 0.00 -1.26 -5.07 105.19 106.26 2k4w n GLY 29 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 1.20 0.47 3.55 -0.02 0.00 0.27 -3.42 105.19 107.25 2k4w n GLY 30 Ca 0.16 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 3.27 -0.40 0.99 1.43 -1.10 -1.37 118.68 121.51 2k4w s LEU 31 Ca 0.00 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 2k4w s LEU 31 Cb 0.00 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2k4w s LEU 31 CO 0.00 -2.07 1.32 -0.75 0.23 0.00 0.00 176.35 175.08 2k4w s LYS 32 N 6.15 3.70 -0.32 1.70 2.20 0.13 -0.93 119.74 132.37 2k4w s LYS 32 Ca 0.52 0.94 -0.16 0.00 -0.36 0.00 0.00 55.97 56.91 2k4w s LYS 32 Cb -0.07 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 2k4w s LYS 32 CO 0.09 -1.40 0.39 0.12 -0.36 0.00 0.00 175.35 174.19 2k4w s PHE 33 N 4.92 3.22 -0.17 4.03 5.36 0.81 -1.16 117.98 134.99 2k4w s PHE 33 Ca 0.57 0.17 -0.01 0.00 -0.96 0.00 0.00 56.93 56.70 2k4w s PHE 33 Cb -0.13 -2.68 0.05 0.00 -0.34 0.00 0.00 43.02 39.92 2k4w s PHE 33 CO 0.30 -0.38 -0.03 0.99 -1.46 0.00 0.00 175.22 174.64 2k4w s THR 34 N 2.10 0.92 0.52 0.12 2.01 0.20 -0.81 115.64 120.70 2k4w s THR 34 Ca 0.14 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2k4w s THR 34 Cb -0.16 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2k4w s THR 34 CO 0.11 0.05 0.81 -2.16 -0.69 0.00 0.00 174.62 172.74 2k4w s PRO 35 N 1.70 3.23 0.00 4.92 0.04 -1.26 -0.40 135.00 143.23 2k4w s PRO 35 Ca 0.00 0.00 0.11 0.00 0.04 0.00 0.00 61.00 61.16 2k4w s PRO 35 Cb -0.16 -2.37 0.18 0.00 0.04 0.00 0.00 34.50 32.20 2k4w s PRO 35 CO -0.07 -0.40 1.07 -2.39 0.04 0.00 0.00 177.00 175.25 2k4w n HIS 36 N -2.35 0.00 -3.52 0.56 1.44 -1.21 -4.59 115.22 105.55 2k4w n HIS 36 Ca 0.02 -0.49 -0.31 0.00 -2.01 0.00 0.00 57.72 54.92 2k4w n HIS 36 Cb 0.56 0.22 -0.05 0.00 0.12 0.00 0.00 29.99 30.85 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 4.20 -0.08 2.39 1.02 -1.22 -4.73 118.68 120.26 2k4w s LEU 37 Ca 0.14 0.76 0.16 0.00 0.02 0.00 0.00 54.13 55.22 2k4w s LEU 37 Cb 0.17 -3.52 0.34 0.00 0.02 0.00 0.00 46.19 43.20 2k4w s LEU 37 CO -0.07 -0.03 1.16 2.29 0.02 0.00 0.00 176.35 179.71 2k4w n LYS 38 N -0.12 0.66 -2.77 1.70 2.85 -1.07 -0.70 118.16 118.71 2k4w n LYS 38 Ca -0.01 -2.32 -0.05 0.00 -1.05 0.00 0.00 58.31 54.88 2k4w n LYS 38 Cb 0.52 -0.78 0.01 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 -0.34 -1.78 -2.34 0.58 0.00 -1.09 -4.76 120.51 110.79 2k4w n ALA 39 Ca 0.10 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.39 2k4w n ALA 39 Cb 0.87 -1.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 0.83 1.82 0.26 0.00 1.02 -0.83 -4.99 118.68 116.80 2k4w s LEU 40 Ca 0.30 -0.89 -0.30 0.00 0.02 0.00 0.00 54.13 53.26 2k4w s LEU 40 Cb 0.00 0.63 -0.11 0.00 0.02 0.00 0.00 46.19 46.74 2k4w s LEU 40 CO -0.06 -0.70 1.50 -2.16 0.02 0.00 0.00 176.35 174.96 2k4w s PRO 41 N -3.92 4.21 -0.12 1.29 0.04 -1.26 -4.36 135.00 130.88 2k4w s PRO 41 Ca 0.10 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.59 2k4w s PRO 41 Cb 0.06 -3.08 0.31 0.00 0.04 0.00 0.00 34.50 31.83 2k4w s PRO 41 CO -0.07 -0.51 1.12 -0.35 0.04 0.00 0.00 177.00 177.23 2k4w n PRO 42 N 2.40 2.24 0.00 0.56 -0.04 -1.26 -4.82 135.00 134.07 2k4w n PRO 42 Ca 0.08 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2k4w n PRO 42 Cb 0.39 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 4.46 3.82 0.55 0.00 -1.26 -2.57 105.19 110.32 2k4w n GLY 43 Ca 0.15 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 2.42 4.03 -0.11 1.61 8.01 -1.26 -1.94 118.70 131.46 2k4w s GLU 44 Ca 0.00 1.16 -0.12 0.00 0.01 0.00 0.00 54.97 56.02 2k4w s GLU 44 Cb 0.00 -2.14 0.03 0.00 -4.31 0.00 0.00 34.13 27.71 2k4w s GLU 44 CO 0.00 -0.21 0.32 -1.01 0.01 0.00 0.00 175.26 174.38 2k4w s HIS 45 N -2.22 -0.34 0.66 1.61 3.76 -0.40 -4.38 115.29 113.99 2k4w s HIS 45 Ca 0.63 0.80 -0.16 0.00 -0.15 0.00 0.00 55.06 56.18 2k4w s HIS 45 Cb -0.11 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.70 2k4w s HIS 45 CO 0.19 -0.20 1.17 0.20 -0.85 0.00 0.00 174.74 175.25 2k4w s GLY 46 N -0.01 2.40 -0.27 -2.22 0.00 0.45 -0.12 107.32 107.55 2k4w s GLY 46 Ca -0.02 0.80 -0.01 0.00 0.00 0.00 0.00 44.72 45.50 2k4w s GLY 46 CO 0.01 1.18 0.31 -0.12 0.00 0.00 0.00 173.10 174.49 2k4w s PHE 47 N -1.99 -0.56 0.43 1.90 5.36 -1.26 -0.86 117.98 121.00 2k4w s PHE 47 Ca 0.73 0.07 0.08 0.00 -0.96 0.00 0.00 56.93 56.84 2k4w s PHE 47 Cb -0.26 -0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 42.06 2k4w s PHE 47 CO 0.40 -0.87 0.40 -1.01 -1.46 0.00 0.00 175.22 172.68 2k4w s HIS 48 N 2.41 2.57 -0.18 10.12 3.76 -1.02 -4.36 115.29 128.59 2k4w s HIS 48 Ca 0.09 -0.53 -0.08 0.00 -0.15 0.00 0.00 55.06 54.39 2k4w s HIS 48 Cb -0.14 -2.15 -0.05 0.00 1.11 0.00 0.00 32.58 31.35 2k4w s HIS 48 CO -0.28 -0.19 0.11 0.42 -0.85 0.00 0.00 174.74 173.95 2k4w s ILE 49 N -2.51 5.21 0.17 0.60 1.01 -0.61 -1.78 121.20 123.29 2k4w s ILE 49 Ca 0.47 0.11 0.06 0.00 0.00 0.00 0.00 60.65 61.30 2k4w s ILE 49 Cb -0.03 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2k4w s ILE 49 CO 0.28 0.48 0.07 -1.00 0.00 0.00 0.00 174.94 174.77 2k4w s HIS 50 N 0.10 3.00 0.22 3.97 3.76 -0.39 -3.38 115.29 122.57 2k4w s HIS 50 Ca 0.08 -0.08 0.20 0.00 -0.15 0.00 0.00 55.06 55.11 2k4w s HIS 50 Cb -0.12 -1.44 0.82 0.00 1.11 0.00 0.00 32.58 32.95 2k4w s HIS 50 CO -0.00 0.52 1.80 0.00 -0.85 0.00 0.00 174.74 176.21 2k4w h ALA 51 N 2.54 1.08 -3.40 -1.40 0.00 -0.18 -3.29 119.26 114.61 2k4w h ALA 51 Ca -0.47 -0.29 -0.49 0.00 0.00 0.00 0.00 54.91 53.65 2k4w h ALA 51 Cb 1.20 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.73 2k4w h ALA 51 CO 0.61 0.40 -0.80 -0.80 0.00 0.00 0.00 179.25 178.66 2k4w s ASN 52 N -6.42 2.24 -1.20 0.00 0.01 -0.03 -4.84 114.94 104.70 2k4w s ASN 52 Ca -0.01 -0.71 -0.16 0.00 -0.71 0.00 0.00 52.86 51.28 2k4w s ASN 52 Cb 0.12 -0.11 0.13 0.00 0.41 0.00 0.00 41.25 41.80 2k4w s ASN 52 CO 0.67 -0.02 1.50 -0.83 -1.51 0.00 0.00 177.10 176.91 2k4w s GLY 53 N -2.03 2.05 -0.29 0.66 0.00 -0.64 -3.60 107.32 103.47 2k4w s GLY 53 Ca 0.06 -3.10 -0.24 0.00 0.00 0.00 0.00 44.72 41.44 2k4w s GLY 53 CO 0.04 2.29 1.10 -0.45 0.00 0.00 0.00 173.10 176.08 2k4w s SER 54 N 3.47 -0.38 0.00 1.64 0.15 -1.25 -4.89 113.70 112.44 2k4w s SER 54 Ca 0.45 0.71 0.29 0.00 0.70 0.00 0.00 55.95 58.11 2k4w s SER 54 Cb -0.01 0.78 1.50 0.00 -1.71 0.00 0.00 66.02 66.58 2k4w s SER 54 CO 0.01 -0.12 2.02 0.00 1.20 0.00 0.00 173.24 176.34 2k4w s GLN 56 N -2.51 4.61 0.82 0.00 1.11 -1.26 -4.45 119.66 117.97 2k4w s GLN 56 Ca 0.29 1.52 -0.12 0.00 0.01 0.00 0.00 55.36 57.06 2k4w s GLN 56 Cb 0.20 -3.38 0.09 0.00 -1.01 0.00 0.00 33.01 28.90 2k4w s GLN 56 CO 0.43 0.06 1.18 -1.25 0.01 0.00 0.00 175.29 175.71 2k4w s PRO 57 N 0.37 1.86 0.35 2.91 0.04 -1.26 -1.07 135.00 138.19 2k4w s PRO 57 Ca 0.50 0.13 0.09 0.00 0.04 0.00 0.00 61.00 61.76 2k4w s PRO 57 Cb -0.24 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2k4w s PRO 57 CO 0.30 -1.67 -0.07 0.00 0.04 0.00 0.00 177.00 175.60 2k4w s ALA 58 N -3.54 3.02 -0.09 8.56 0.00 -1.26 -4.68 121.76 123.77 2k4w s ALA 58 Ca 0.62 -2.08 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2k4w s ALA 58 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2k4w s ALA 58 CO 0.50 0.07 -0.15 0.42 0.00 0.00 0.00 175.76 176.59 2k4w s ILE 59 N -2.60 2.96 -0.23 0.00 -1.09 -1.26 -0.82 121.20 118.17 2k4w s ILE 59 Ca 0.33 -0.72 -0.17 0.00 -2.23 0.00 0.00 60.65 57.86 2k4w s ILE 59 Cb 0.02 -2.20 0.07 0.00 -1.58 0.00 0.00 42.46 38.77 2k4w s ILE 59 CO 0.17 0.56 0.58 -0.75 -1.23 0.00 0.00 174.94 174.27 2k4w s LYS 60 N -0.12 0.63 -1.35 2.79 2.20 -0.78 -4.97 119.74 118.14 2k4w s LYS 60 Ca -0.02 0.95 -0.04 0.00 -0.36 0.00 0.00 55.97 56.50 2k4w s LYS 60 Cb -0.14 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.40 2k4w s LYS 60 CO 0.04 -0.12 0.85 -3.47 -0.36 0.00 0.00 175.35 172.28 2k4w n ASP 61 N 3.60 -2.60 0.00 1.43 2.03 -1.26 -2.80 116.55 116.94 2k4w n ASP 61 Ca -0.18 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.37 2k4w n ASP 61 Cb 0.57 -4.23 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 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 -1.59 0.31 3.18 0.27 0.00 -1.26 -4.96 105.19 101.14 2k4w n GLY 62 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.89 0.91 -0.16 1.61 -2.07 -1.12 -5.17 119.66 112.77 2k4w s GLN 63 Ca 0.00 -1.40 -0.00 0.00 -1.82 0.00 0.00 55.36 52.14 2k4w s GLN 63 Cb 0.00 -0.10 -0.01 0.00 -1.09 0.00 0.00 33.01 31.82 2k4w s GLN 63 CO 0.00 -0.11 -0.14 0.00 -1.32 0.00 0.00 175.29 173.73 2k4w s ALA 64 N -3.74 2.55 -0.59 2.60 0.00 -1.26 -1.87 121.76 119.45 2k4w s ALA 64 Ca 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2k4w s ALA 64 Cb 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2k4w s ALA 64 CO -0.02 -0.01 0.53 1.33 0.00 0.00 0.00 175.76 177.60 2k4w n VAL 65 N 4.01 0.31 -0.92 0.00 0.24 0.00 -4.67 118.33 117.31 2k4w n VAL 65 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2k4w n VAL 65 Cb 0.52 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.33 0.00 0.00 2.33 0.00 -1.26 -4.59 120.51 117.32 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 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.00 0.00 -0.04 0.00 0.00 -1.26 -4.74 120.51 115.47 2k4w n ALA 67 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2k4w n ALA 67 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 0.81 0.00 0.00 2.13 -0.23 -4.64 120.64 118.71 2k4w n GLU 68 Ca 0.00 0.04 0.03 0.00 0.66 0.00 0.00 57.16 57.89 2k4w n GLU 68 Cb 0.00 -1.19 0.15 0.00 0.27 0.00 0.00 31.44 30.68 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 -2.66 1.44 0.42 4.31 0.00 -0.68 -1.38 120.51 121.95 2k4w n ALA 69 Ca -0.16 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.38 2k4w n ALA 69 Cb 0.69 -1.10 0.49 0.00 0.00 0.00 0.00 19.45 19.53 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 70 N -1.33 1.74 -0.40 0.00 0.00 -0.92 -3.93 120.51 115.68 2k4w n ALA 70 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2k4w n ALA 70 Cb 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 0.18 1.93 5.23 0.00 0.00 -0.48 -0.85 105.19 111.20 2k4w n GLY 71 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -2.11 3.77 -0.02 0.00 -1.26 -4.58 105.19 98.99 2k4w n GLY 72 Ca 0.00 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 2k4w n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 73 N -0.27 2.95 -0.08 1.61 3.76 -1.26 -0.65 115.29 121.35 2k4w s HIS 73 Ca 0.00 1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 55.89 2k4w s HIS 73 Cb 0.00 -3.78 -0.05 0.00 1.11 0.00 0.00 32.58 29.87 2k4w s HIS 73 CO 0.00 -2.26 1.57 -1.17 -0.85 0.00 0.00 174.74 172.03 2k4w s LEU 74 N -1.52 4.28 -0.16 0.89 2.96 -1.22 -4.66 118.68 119.25 2k4w s LEU 74 Ca 0.52 2.11 -0.07 0.00 -0.22 0.00 0.00 54.13 56.47 2k4w s LEU 74 Cb -0.42 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 42.81 2k4w s LEU 74 CO 0.53 -0.90 0.36 -0.62 -1.32 0.00 0.00 176.35 174.39 2k4w s ASP 75 N 3.09 -0.26 0.30 3.68 2.15 -1.26 -1.20 116.67 123.16 2k4w s ASP 75 Ca 0.70 0.80 0.23 0.00 0.43 0.00 0.00 52.55 54.70 2k4w s ASP 75 Cb -0.31 0.83 0.14 0.00 -0.30 0.00 0.00 42.92 43.28 2k4w s ASP 75 CO 0.26 -0.21 1.27 1.55 -0.17 0.00 0.00 175.17 177.88 2k4w h PRO 76 N 7.59 0.00 0.00 4.34 0.13 -1.94 -3.46 132.00 138.66 2k4w h PRO 76 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2k4w h PRO 76 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k4w h PRO 76 CO 0.24 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.01 2k4w n GLN 77 N -2.84 0.00 -0.31 0.86 10.64 -1.26 -5.06 117.38 119.40 2k4w n GLN 77 Ca 0.02 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.25 2k4w n GLN 77 Cb 0.54 0.00 0.26 0.00 -0.86 0.00 0.00 30.24 30.18 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2k4w h ASN 78 N 0.00 0.88 0.00 2.61 -0.26 -1.89 -3.45 115.58 113.46 2k4w h ASN 78 Ca 0.00 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2k4w h ASN 78 Cb 0.00 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 2k4w h ASN 78 CO 0.00 0.52 0.00 1.07 -1.06 0.00 0.00 177.43 177.96 2k4w n THR 79 N -4.53 0.00 -0.33 2.81 5.66 -1.26 -4.79 114.28 111.84 2k4w n THR 79 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 2k4w n THR 79 Cb 0.28 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.69 0.13 1.09 0.00 -0.97 -4.99 105.19 101.14 2k4w n GLY 80 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 4.11 0.03 0.00 1.61 2.10 -1.88 -3.47 116.57 119.08 2k4w h LYS 81 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 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 0.69 0.00 1.58 -2.00 0.00 0.00 179.45 179.72 2k4w n HIS 82 N -3.76 0.00 0.00 0.07 -0.00 -1.25 -4.99 115.22 105.29 2k4w n HIS 82 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2k4w n HIS 82 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 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 -0.46 3.63 0.00 1.57 4.07 -1.26 -2.90 120.64 125.29 2k4w n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2k4w n GLU 83 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k4w n GLY 84 N 4.92 0.16 0.19 8.31 0.00 -1.26 -4.79 105.19 112.72 2k4w n GLY 84 Ca 0.00 -1.60 0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.41 1.61 0.13 -1.86 -3.45 132.00 127.01 2k4w h PRO 85 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 2k4w h PRO 85 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 2k4w h PRO 85 CO 0.00 0.00 0.66 -1.83 -0.23 0.00 0.00 178.00 176.60 2k4w s GLU 86 N -3.37 0.43 0.00 0.86 -1.05 -1.26 -5.11 118.70 109.20 2k4w s GLU 86 Ca 0.05 0.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.00 2k4w s GLU 86 Cb 0.09 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 2k4w s GLU 86 CO 0.53 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 177.02 2k4w n GLY 87 N 0.78 0.51 3.60 -3.83 0.00 -1.26 -4.99 105.19 100.00 2k4w n GLY 87 Ca -0.08 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 0.57 0.00 1.61 2.00 -1.26 -4.88 119.66 117.70 2k4w s GLN 88 Ca 0.00 0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.71 2k4w s GLN 88 Cb 0.00 0.27 0.00 0.00 0.80 0.00 0.00 33.01 34.08 2k4w s GLN 88 CO 0.00 -0.13 0.00 0.41 -0.50 0.00 0.00 175.29 175.07 2k4w n GLY 89 N 1.40 0.00 3.22 2.59 0.00 -1.14 -4.67 105.19 106.58 2k4w n GLY 89 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.03 -0.82 -0.65 1.61 3.76 -1.26 -2.30 115.29 115.59 2k4w s HIS 90 Ca 0.00 1.45 0.14 0.00 -0.15 0.00 0.00 55.06 56.50 2k4w s HIS 90 Cb 0.00 0.28 0.68 0.00 1.11 0.00 0.00 32.58 34.65 2k4w s HIS 90 CO 0.00 -0.52 1.44 1.47 -0.85 0.00 0.00 174.74 176.29 2k4w n LEU 91 N 5.39 0.31 -0.01 0.89 -0.00 -1.03 -2.06 117.00 120.49 2k4w n LEU 91 Ca -0.08 0.61 0.15 0.00 -0.00 0.00 0.00 56.01 56.69 2k4w n LEU 91 Cb 0.50 -0.61 0.77 0.00 -0.00 0.00 0.00 43.42 44.07 2k4w n LEU 91 CO 0.01 -0.59 1.02 0.61 -0.00 0.00 0.00 177.39 178.43 2k4w n GLY 92 N -0.80 -1.21 3.81 1.47 0.00 -0.34 -4.83 105.19 103.28 2k4w n GLY 92 Ca 0.01 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.49 5.95 0.16 1.61 1.01 -0.87 -1.57 116.67 120.47 2k4w s ASP 93 Ca 0.31 1.81 -0.19 0.00 0.71 0.00 0.00 52.55 55.19 2k4w s ASP 93 Cb 0.20 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.64 2k4w s ASP 93 CO 0.45 -1.05 0.51 -0.76 0.21 0.00 0.00 175.17 174.53 2k4w s LEU 94 N -4.31 -0.01 0.71 1.23 1.02 -1.26 -4.94 118.68 111.12 2k4w s LEU 94 Ca 0.64 -0.27 -0.13 0.00 0.02 0.00 0.00 54.13 54.39 2k4w s LEU 94 Cb -0.15 2.19 0.02 0.00 0.02 0.00 0.00 46.19 48.27 2k4w s LEU 94 CO 0.34 -0.96 1.09 -2.16 0.02 0.00 0.00 176.35 174.68 2k4w s PRO 95 N -3.81 2.59 0.33 1.29 0.04 -1.26 -4.65 135.00 129.53 2k4w s PRO 95 Ca 0.04 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.05 2k4w s PRO 95 Cb -0.00 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2k4w s PRO 95 CO -0.09 -1.39 1.05 0.14 0.04 0.00 0.00 177.00 176.75 2k4w s VAL 96 N -2.68 3.71 -0.20 -0.36 -7.23 -1.26 -4.19 120.40 108.19 2k4w s VAL 96 Ca 0.63 1.50 -0.21 0.00 -1.81 0.00 0.00 61.98 62.09 2k4w s VAL 96 Cb -0.18 -3.87 -0.02 0.00 0.56 0.00 0.00 36.38 32.87 2k4w s VAL 96 CO 0.49 0.19 0.64 -0.22 -0.31 0.00 0.00 175.10 175.89 2k4w s LEU 97 N -2.03 4.14 0.01 1.32 2.96 0.83 -4.91 118.68 120.99 2k4w s LEU 97 Ca 0.51 0.84 -0.19 0.00 -0.22 0.00 0.00 54.13 55.06 2k4w s LEU 97 Cb -0.26 -2.90 -0.06 0.00 0.50 0.00 0.00 46.19 43.47 2k4w s LEU 97 CO 0.33 -0.29 0.56 -0.69 -1.32 0.00 0.00 176.35 174.93 2k4w s VAL 98 N 1.99 4.90 0.22 1.68 1.01 -1.26 -1.27 120.40 127.67 2k4w s VAL 98 Ca 0.29 1.16 0.10 0.00 0.00 0.00 0.00 61.98 63.53 2k4w s VAL 98 Cb -0.16 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2k4w s VAL 98 CO 0.10 0.46 -0.18 0.68 0.00 0.00 0.00 175.10 176.16 2k4w s VAL 99 N -0.45 2.08 0.45 2.92 -7.23 -0.82 -4.09 120.40 113.26 2k4w s VAL 99 Ca 0.29 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.24 2k4w s VAL 99 Cb -0.18 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2k4w s VAL 99 CO 0.17 -0.40 0.73 0.54 -0.31 0.00 0.00 175.10 175.83 2k4w s ASN 100 N -3.14 6.29 0.52 4.85 2.20 -0.50 -4.02 114.94 121.14 2k4w s ASN 100 Ca 0.23 0.84 0.03 0.00 -0.94 0.00 0.00 52.86 53.03 2k4w s ASN 100 Cb -0.04 -2.21 0.19 0.00 -2.00 0.00 0.00 41.25 37.19 2k4w s ASN 100 CO 0.10 -0.50 1.01 -0.55 -2.94 0.00 0.00 177.10 174.22 2k4w h ASN 101 N 0.42 0.00 0.19 3.54 7.08 -1.83 -0.98 115.58 124.00 2k4w h ASN 101 Ca -0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 2k4w h ASN 101 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2k4w h ASN 101 CO 0.62 0.00 -1.17 -0.67 -2.08 0.00 0.00 177.43 174.13 2k4w n ASP 102 N -2.24 0.64 0.00 6.14 2.03 -1.26 -4.86 116.55 116.99 2k4w n ASP 102 Ca -0.00 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.83 2k4w n ASP 102 Cb 0.81 1.07 0.00 0.00 -0.72 0.00 0.00 41.12 42.28 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 1.41 1.42 3.20 0.27 0.00 -0.37 -5.00 105.19 106.11 2k4w n GLY 103 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 1.74 -0.26 -0.61 1.01 -1.25 -1.97 121.20 117.86 2k4w s ILE 104 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 2k4w s ILE 104 Cb 0.00 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2k4w s ILE 104 CO 0.00 0.49 0.44 0.00 0.00 0.00 0.00 174.94 175.87 2k4w s ALA 105 N -0.04 3.58 0.00 9.38 0.00 0.13 -1.41 121.76 133.40 2k4w s ALA 105 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2k4w s ALA 105 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2k4w s ALA 105 CO 0.03 -0.67 0.54 -2.37 0.00 0.00 0.00 175.76 173.29 2k4w n THR 106 N 5.08 0.00 -4.70 0.00 5.66 -1.26 -3.40 114.28 115.66 2k4w n THR 106 Ca -0.06 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.61 2k4w n THR 106 Cb 0.50 0.33 -0.14 0.00 -1.55 0.00 0.00 70.33 69.48 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 3.43 0.70 1.09 0.41 -1.26 -4.96 118.70 118.12 2k4w s GLU 107 Ca 0.00 -0.65 -0.12 0.00 -0.41 0.00 0.00 54.97 53.79 2k4w s GLU 107 Cb 0.00 -2.68 0.02 0.00 -1.78 0.00 0.00 34.13 29.68 2k4w s GLU 107 CO 0.00 0.23 1.08 -1.25 -0.49 0.00 0.00 175.26 174.83 2k4w s PRO 108 N 0.33 2.73 0.15 0.39 0.04 -1.26 -4.38 135.00 132.99 2k4w s PRO 108 Ca -0.09 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 2k4w s PRO 108 Cb -0.15 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2k4w s PRO 108 CO 0.05 -1.28 0.09 0.08 0.04 0.00 0.00 177.00 175.98 2k4w s VAL 109 N -2.79 0.08 -0.01 -0.36 1.01 0.01 -4.92 120.40 113.42 2k4w s VAL 109 Ca 0.61 -1.90 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 2k4w s VAL 109 Cb -0.16 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2k4w s VAL 109 CO 0.50 -0.35 0.02 -0.89 0.00 0.00 0.00 175.10 174.38 2k4w s THR 110 N -4.07 -0.02 -0.69 3.92 2.01 -1.26 -0.14 115.64 115.39 2k4w s THR 110 Ca 0.27 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 2k4w s THR 110 Cb 0.07 -0.04 0.18 0.00 0.01 0.00 0.00 72.50 72.72 2k4w s THR 110 CO 0.04 0.03 0.52 0.00 -0.69 0.00 0.00 174.62 174.52 2k4w s ALA 111 N 0.37 3.74 -0.64 7.40 0.00 -0.11 -4.83 121.76 127.70 2k4w s ALA 111 Ca -0.03 -3.41 0.00 0.00 0.00 0.00 0.00 51.96 48.52 2k4w s ALA 111 Cb -0.04 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.36 2k4w s ALA 111 CO -0.01 -2.13 0.46 -0.35 0.00 0.00 0.00 175.76 173.73 2k4w n PRO 112 N 3.20 0.67 0.05 0.00 -0.04 -1.22 -3.06 135.00 134.60 2k4w n PRO 112 Ca 0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2k4w n PRO 112 Cb 0.38 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 2k4w n PRO 112 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4w n ARG 113 N 0.34 0.63 -4.97 0.54 1.74 -1.26 -4.88 116.66 108.80 2k4w n ARG 113 Ca 0.00 0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 2k4w n ARG 113 Cb 0.23 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 29.80 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k4w s LEU 114 N -5.08 1.97 -0.14 0.55 2.01 -1.17 -5.07 118.68 111.74 2k4w s LEU 114 Ca -0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 54.13 53.68 2k4w s LEU 114 Cb 0.11 -1.10 -0.24 0.00 0.01 0.00 0.00 46.19 44.97 2k4w s LEU 114 CO 0.84 0.18 0.28 1.17 1.01 0.00 0.00 176.35 179.83 2k4w n LYS 115 N 3.06 0.73 -4.12 1.70 3.00 -1.26 -2.70 118.16 118.56 2k4w n LYS 115 Ca -0.18 0.24 -0.13 0.00 -0.00 0.00 0.00 58.31 58.24 2k4w n LYS 115 Cb 0.53 -1.68 -0.11 0.00 0.00 0.00 0.00 35.03 33.77 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2k4w s SER 116 N -6.80 1.07 0.25 3.14 0.01 -1.26 -4.03 113.70 106.08 2k4w s SER 116 Ca -0.23 -0.75 -0.04 0.00 1.31 0.00 0.00 55.95 56.24 2k4w s SER 116 Cb 0.07 0.05 0.42 0.00 0.21 0.00 0.00 66.02 66.77 2k4w s SER 116 CO 0.75 -0.30 1.79 -0.07 0.41 0.00 0.00 173.24 175.82 2k4w h LEU 117 N 3.81 0.60 -1.86 2.44 -0.00 -1.95 -1.83 115.31 116.52 2k4w h LEU 117 Ca -0.36 0.06 0.04 0.00 -0.00 0.00 0.00 57.88 57.62 2k4w h LEU 117 Cb 1.19 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2k4w h LEU 117 CO 0.51 0.32 0.42 0.44 -0.00 0.00 0.00 178.44 180.14 2k4w h ASP 118 N 0.72 0.00 0.69 -0.43 5.19 -1.96 0.62 116.42 121.24 2k4w h ASP 118 Ca 0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 2k4w h ASP 118 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2k4w h ASP 118 CO -0.28 0.00 -0.62 -0.62 -3.12 0.00 0.00 179.24 174.61 2k4w n GLU 119 N -3.13 0.18 0.00 3.56 1.02 -0.69 -4.16 120.64 117.43 2k4w n GLU 119 Ca 0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2k4w n GLU 119 Cb 0.51 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.87 0.73 0.17 2.62 0.24 0.15 -4.81 118.33 115.56 2k4w n VAL 120 Ca 0.04 -0.84 0.02 0.00 -2.04 0.00 0.00 64.34 61.52 2k4w n VAL 120 Cb 0.40 0.65 0.11 0.00 -1.47 0.00 0.00 33.84 33.53 2k4w n VAL 120 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2k4w h LYS 121 N 0.00 0.00 0.00 7.34 2.10 -1.56 -2.34 116.57 122.11 2k4w h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k4w h LYS 121 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2k4w h LYS 121 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2k4w n ASP 122 N -1.86 0.79 -4.38 7.07 5.75 -1.26 -4.42 116.55 118.23 2k4w n ASP 122 Ca -0.00 -1.20 -0.25 0.00 -0.01 0.00 0.00 54.79 53.33 2k4w n ASP 122 Cb 0.62 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.62 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2k4w s LYS 123 N -0.20 1.86 0.02 0.11 1.02 -0.88 -1.62 119.74 120.06 2k4w s LYS 123 Ca 0.00 -2.10 0.08 0.00 0.02 0.00 0.00 55.97 53.97 2k4w s LYS 123 Cb 0.00 -0.92 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 2k4w s LYS 123 CO 0.00 -0.32 -0.24 0.00 -0.92 0.00 0.00 175.35 173.87 2k4w s ALA 124 N -3.16 2.32 0.62 5.17 0.00 -1.24 -1.15 121.76 124.32 2k4w s ALA 124 Ca 0.27 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 2k4w s ALA 124 Cb 0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2k4w s ALA 124 CO 0.13 0.54 1.07 -0.51 0.00 0.00 0.00 175.76 176.99 2k4w s LEU 125 N -1.08 3.43 -0.13 0.00 1.43 0.24 -1.27 118.68 121.31 2k4w s LEU 125 Ca 0.12 1.83 -0.05 0.00 -1.03 0.00 0.00 54.13 54.99 2k4w s LEU 125 Cb -0.10 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.65 2k4w s LEU 125 CO 0.02 -1.29 0.27 -0.32 0.23 0.00 0.00 176.35 175.25 2k4w s MET 126 N -4.19 0.17 -0.17 1.70 1.75 -0.73 -1.84 119.30 115.99 2k4w s MET 126 Ca 0.64 0.71 -0.29 0.00 -1.25 0.00 0.00 55.69 55.49 2k4w s MET 126 Cb -0.17 -0.04 -0.00 0.00 2.84 0.00 0.00 34.83 37.46 2k4w s MET 126 CO 0.40 -0.25 1.01 0.42 -0.65 0.00 0.00 175.02 175.95 2k4w s ILE 127 N 2.13 4.74 0.02 10.11 1.01 0.33 -2.43 121.20 137.11 2k4w s ILE 127 Ca -0.02 2.01 -0.01 0.00 0.00 0.00 0.00 60.65 62.64 2k4w s ILE 127 Cb -0.12 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2k4w s ILE 127 CO -0.09 -0.09 0.17 -1.00 0.00 0.00 0.00 174.94 173.94 2k4w s HIS 128 N 2.63 3.49 -0.03 3.97 3.76 -0.04 -0.52 115.29 128.55 2k4w s HIS 128 Ca 0.46 0.29 -0.22 0.00 -0.15 0.00 0.00 55.06 55.43 2k4w s HIS 128 Cb -0.17 -1.79 -0.16 0.00 1.11 0.00 0.00 32.58 31.58 2k4w s HIS 128 CO 0.12 0.61 1.01 0.28 -0.85 0.00 0.00 174.74 175.91 2k4w h VAL 129 N 2.62 0.74 -3.85 -0.90 2.07 -1.17 -3.18 116.25 112.58 2k4w h VAL 129 Ca -0.48 -0.87 -0.48 0.00 0.82 0.00 0.00 66.70 65.69 2k4w h VAL 129 Cb 1.18 1.16 0.06 0.00 -1.52 0.00 0.00 31.29 32.17 2k4w h VAL 129 CO 0.70 0.16 0.23 -0.83 0.02 0.00 0.00 177.57 177.86 2k4w s GLY 130 N -3.02 1.61 0.00 2.17 0.00 -1.26 -4.49 107.32 102.33 2k4w s GLY 130 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2k4w s GLY 130 CO 0.49 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.90 2k4w n GLY 131 N -2.67 -2.33 2.73 0.20 0.00 -1.26 -0.41 105.19 101.46 2k4w n GLY 131 Ca 0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 2k4w n GLY 131 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k4w n ASP 132 N 0.00 -2.59 -0.25 1.61 -0.08 -1.26 -3.97 116.55 110.01 2k4w n ASP 132 Ca 0.00 -3.07 0.00 0.00 -1.51 0.00 0.00 54.79 50.21 2k4w n ASP 132 Cb 0.00 1.66 0.00 0.00 2.34 0.00 0.00 41.12 45.12 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2k4w n ASN 133 N 1.53 0.00 -3.53 1.67 6.94 -1.26 -4.56 115.26 116.05 2k4w n ASN 133 Ca 0.07 -1.06 -0.17 0.00 -0.02 0.00 0.00 54.58 53.40 2k4w n ASN 133 Cb 0.65 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 38.00 2k4w n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k4w s MET 134 N 0.00 1.01 0.03 -3.83 0.23 -1.26 -4.78 119.30 110.69 2k4w s MET 134 Ca 0.00 0.28 0.00 0.00 -1.03 0.00 0.00 55.69 54.94 2k4w s MET 134 Cb 0.00 0.48 -0.00 0.00 -1.53 0.00 0.00 34.83 33.78 2k4w s MET 134 CO 0.00 -0.31 0.01 0.43 -2.03 0.00 0.00 175.02 173.12 2k4w n SER 135 N 0.97 1.13 0.00 -1.18 7.64 -1.26 -3.94 113.62 116.97 2k4w n SER 135 Ca -0.18 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.57 2k4w n SER 135 Cb 0.57 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k4w n ASP 136 N -1.87 0.00 -4.77 6.43 2.03 -1.26 -4.70 116.55 112.40 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 0.04 -0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 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 3.77 0.36 -0.67 -0.21 -1.26 -4.97 119.66 116.69 2k4w s GLN 137 Ca 0.00 1.76 0.09 0.00 0.02 0.00 0.00 55.36 57.23 2k4w s GLN 137 Cb 0.00 -2.41 0.70 0.00 1.00 0.00 0.00 33.01 32.30 2k4w s GLN 137 CO 0.00 -0.53 1.86 -1.00 -2.12 0.00 0.00 175.29 173.50 2k4w h PRO 138 N 2.06 0.24 -6.36 2.91 0.13 -1.99 -3.32 132.00 125.68 2k4w h PRO 138 Ca -0.49 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.00 2k4w h PRO 138 Cb 1.25 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2k4w h PRO 138 CO 0.60 0.44 0.84 0.15 -0.23 0.00 0.00 178.00 179.79 2k4w s LYS 139 N -4.59 3.99 0.64 0.86 1.02 -1.26 -5.04 119.74 115.36 2k4w s LYS 139 Ca -0.05 0.94 -0.17 0.00 0.02 0.00 0.00 55.97 56.71 2k4w s LYS 139 Cb 0.15 -3.77 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 2k4w s LYS 139 CO 0.74 -0.99 1.18 -1.25 -0.92 0.00 0.00 175.35 174.12 2k4w s PRO 140 N 3.77 2.74 -2.07 -1.68 0.04 -1.25 -2.23 135.00 134.32 2k4w s PRO 140 Ca 0.45 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2k4w s PRO 140 Cb -0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k4w s PRO 140 CO 0.18 -1.36 0.00 1.28 0.04 0.00 0.00 177.00 177.15 2k4w n LEU 141 N -2.04 -1.60 -0.48 -3.56 4.32 -1.26 -1.41 117.00 110.98 2k4w n LEU 141 Ca 0.13 0.38 -0.06 0.00 -0.02 0.00 0.00 56.01 56.43 2k4w n LEU 141 Cb 0.50 -2.85 -0.03 0.00 -1.62 0.00 0.00 43.42 39.43 2k4w n LEU 141 CO 0.46 -0.86 -0.06 0.61 -1.22 0.00 0.00 177.39 176.32 2k4w n GLY 142 N -0.54 0.76 0.00 -0.72 0.00 -0.95 -1.65 105.19 102.10 2k4w n GLY 142 Ca -0.21 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.98 0.65 0.04 -0.02 0.00 -0.50 -4.97 105.19 99.42 2k4w n GLY 143 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.15 -0.32 0.07 -0.02 0.00 -0.66 -3.63 105.19 99.48 2k4w n GLY 144 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.08 -1.22 3.79 -0.02 0.00 -1.25 -4.50 105.19 101.91 2k4w n GLY 145 Ca 0.00 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.15 3.73 0.10 2.61 -4.23 -1.24 -4.97 115.64 108.49 2k4w s THR 146 Ca 0.07 1.20 0.06 0.00 -1.18 0.00 0.00 61.69 61.84 2k4w s THR 146 Cb 0.10 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 2k4w s THR 146 CO 0.37 -0.11 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.18 2k4w s ARG 147 N -2.84 2.40 -0.17 3.99 1.81 -1.26 -0.69 118.95 122.19 2k4w s ARG 147 Ca 0.62 -0.91 0.02 0.00 -1.72 0.00 0.00 55.73 53.75 2k4w s ARG 147 Cb -0.20 -2.46 -0.12 0.00 -0.45 0.00 0.00 34.95 31.73 2k4w s ARG 147 CO 0.24 0.53 -0.13 0.98 -0.68 0.00 0.00 175.30 176.24 2k4w n TYR 148 N 0.59 0.00 -3.71 -0.53 9.36 0.33 -4.62 117.16 118.58 2k4w n TYR 148 Ca -0.12 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.97 2k4w n TYR 148 Cb 0.52 -0.65 -0.09 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 -2.34 -1.08 -0.13 2.98 0.00 -0.95 -2.11 121.76 118.13 2k4w s ALA 149 Ca -0.21 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 2k4w s ALA 149 Cb 0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2k4w s ALA 149 CO 0.40 -0.25 0.13 0.00 0.00 0.00 0.00 175.76 176.04 2k4w s GLY 151 N -0.74 1.48 0.16 0.00 0.00 -0.76 -0.63 107.32 106.83 2k4w s GLY 151 Ca 0.13 -2.49 -0.31 0.00 0.00 0.00 0.00 44.72 42.05 2k4w s GLY 151 CO 0.03 1.76 1.53 0.14 0.00 0.00 0.00 173.10 176.55 2k4w s VAL 152 N 0.32 2.73 0.15 1.40 1.01 -1.26 -0.59 120.40 124.16 2k4w s VAL 152 Ca 0.21 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.75 2k4w s VAL 152 Cb -0.17 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2k4w s VAL 152 CO -0.05 0.04 0.27 -0.63 0.00 0.00 0.00 175.10 174.73 2k4w s ILE 153 N 1.04 5.23 0.00 2.22 1.01 -0.30 -4.80 121.20 125.60 2k4w s ILE 153 Ca 0.68 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2k4w s ILE 153 Cb -0.42 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2k4w s ILE 153 CO 0.32 -0.09 0.09 0.29 0.00 0.00 0.00 174.94 175.54