#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 0.51 -0.20 0.00 0.01 -1.26 -0.39 113.70 112.37 2k4w s SER 2 Ca 0.00 -0.81 -0.10 0.00 1.31 0.00 0.00 55.95 56.35 2k4w s SER 2 Cb 0.00 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.45 2k4w s SER 2 CO 0.00 -0.46 0.48 -0.70 0.41 0.00 0.00 173.24 172.97 2k4w s GLU 3 N -2.96 0.45 -0.54 12.44 2.56 0.15 -5.00 118.70 125.80 2k4w s GLU 3 Ca -0.01 0.95 -0.12 0.00 0.00 0.00 0.00 54.97 55.79 2k4w s GLU 3 Cb 0.01 0.12 0.13 0.00 2.00 0.00 0.00 34.13 36.39 2k4w s GLU 3 CO -0.06 -0.18 0.46 0.21 -0.56 0.00 0.00 175.26 175.13 2k4w s LYS 4 N 1.76 2.81 -0.09 4.30 2.20 -1.26 -0.79 119.74 128.67 2k4w s LYS 4 Ca -0.08 -1.83 -0.22 0.00 -0.36 0.00 0.00 55.97 53.48 2k4w s LYS 4 Cb -0.09 -4.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 2k4w s LYS 4 CO -0.14 -1.26 0.65 0.14 -0.36 0.00 0.00 175.35 174.37 2k4w s VAL 5 N 1.32 5.07 -0.43 4.02 -7.23 -0.18 -4.83 120.40 118.14 2k4w s VAL 5 Ca 0.06 1.33 -0.27 0.00 -1.81 0.00 0.00 61.98 61.29 2k4w s VAL 5 Cb -0.26 -3.99 -0.05 0.00 0.56 0.00 0.00 36.38 32.64 2k4w s VAL 5 CO 0.00 0.25 2.15 -0.83 -0.31 0.00 0.00 175.10 176.37 2k4w s GLY 6 N 0.79 0.10 -0.43 2.32 0.00 -1.26 0.01 107.32 108.84 2k4w s GLY 6 Ca 0.35 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.86 2k4w s GLY 6 CO 0.16 3.78 1.22 1.06 0.00 0.00 0.00 173.10 179.32 2k4w s MET 7 N 7.18 3.72 0.04 2.90 -1.94 -0.68 -4.34 119.30 126.18 2k4w s MET 7 Ca 0.89 0.76 0.03 0.00 -1.71 0.00 0.00 55.69 55.66 2k4w s MET 7 Cb -0.20 -3.92 -0.04 0.00 2.01 0.00 0.00 34.83 32.67 2k4w s MET 7 CO 0.28 -1.38 -0.01 1.21 -0.01 0.00 0.00 175.02 175.12 2k4w s ASN 8 N 2.82 5.01 -1.47 3.03 3.84 0.25 -3.98 114.94 124.46 2k4w s ASN 8 Ca 0.52 -0.10 -0.10 0.00 0.21 0.00 0.00 52.86 53.39 2k4w s ASN 8 Cb -0.10 -1.24 -0.07 0.00 -0.55 0.00 0.00 41.25 39.29 2k4w s ASN 8 CO 0.30 0.23 2.72 0.18 -2.79 0.00 0.00 177.10 177.74 2k4w n LEU 9 N 1.02 7.81 -4.78 3.21 4.77 -0.13 -1.62 117.00 127.28 2k4w n LEU 9 Ca -0.13 -4.05 -0.33 0.00 -0.03 0.00 0.00 56.01 51.47 2k4w n LEU 9 Cb 0.52 -1.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.17 2k4w n LEU 9 CO 0.36 1.67 0.74 0.68 -1.33 0.00 0.00 177.39 179.51 2k4w s VAL 10 N 2.55 3.38 0.00 4.08 -7.23 -1.26 -3.56 120.40 118.37 2k4w s VAL 10 Ca 0.62 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 61.44 2k4w s VAL 10 Cb 0.16 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2k4w s VAL 10 CO -0.05 -0.39 0.00 1.07 -0.31 0.00 0.00 175.10 175.41 2k4w n THR 11 N -2.30 0.00 0.06 5.32 5.66 -0.63 -4.60 114.28 117.79 2k4w n THR 11 Ca 0.10 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.14 2k4w n THR 11 Cb 0.52 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.50 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w n ALA 12 N -3.00 0.89 0.80 1.79 0.00 -1.26 -0.78 120.51 118.95 2k4w n ALA 12 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2k4w n ALA 12 Cb 0.00 -0.98 0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.72 1.90 0.00 0.00 1.13 -1.26 -4.67 117.38 112.76 2k4w n GLN 13 Ca -0.00 -1.77 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 2k4w n GLN 13 Cb 0.08 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.03 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 1.17 -0.03 3.66 1.08 0.00 0.04 -4.87 105.19 106.24 2k4w n GLY 14 Ca 0.12 -1.30 -0.45 0.00 0.00 0.00 0.00 46.02 44.39 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 0.98 0.00 1.61 0.31 -1.24 -1.61 118.33 118.38 2k4w n VAL 15 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2k4w n VAL 15 Cb 0.00 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 2.10 0.43 3.33 2.92 0.00 -1.23 -4.89 105.19 107.86 2k4w n GLY 16 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 2.23 1.37 0.16 1.61 -2.07 -1.26 -4.86 119.66 116.84 2k4w s GLN 17 Ca 0.00 -1.71 -0.08 0.00 -1.82 0.00 0.00 55.36 51.75 2k4w s GLN 17 Cb 0.00 -0.53 -0.06 0.00 -1.09 0.00 0.00 33.01 31.33 2k4w s GLN 17 CO 0.00 -0.16 0.45 0.45 -1.32 0.00 0.00 175.29 174.72 2k4w s SER 18 N -3.32 6.58 0.00 12.60 0.15 -1.26 -0.96 113.70 127.50 2k4w s SER 18 Ca 0.31 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2k4w s SER 18 Cb 0.07 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2k4w s SER 18 CO 0.10 0.03 0.10 2.30 1.20 0.00 0.00 173.24 176.97 2k4w n ILE 19 N 0.17 0.00 0.00 6.45 -5.35 -1.26 -4.99 119.36 114.38 2k4w n ILE 19 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2k4w n ILE 19 Cb 0.52 1.59 0.00 0.00 -1.74 0.00 0.00 39.64 40.01 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 2.09 3.93 3.28 0.00 -1.26 -3.45 105.19 109.79 2k4w n GLY 20 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 1.74 -0.05 2.61 -4.23 -1.26 -1.69 115.64 110.76 2k4w s THR 21 Ca 0.00 -1.38 0.03 0.00 -1.18 0.00 0.00 61.69 59.16 2k4w s THR 21 Cb 0.00 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2k4w s THR 21 CO 0.00 0.00 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.26 2k4w s VAL 22 N -2.75 1.16 -0.24 2.29 1.01 0.10 -3.64 120.40 118.32 2k4w s VAL 22 Ca 0.40 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2k4w s VAL 22 Cb -0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2k4w s VAL 22 CO 0.25 0.35 0.82 0.54 0.00 0.00 0.00 175.10 177.07 2k4w s VAL 23 N 0.40 4.84 -0.18 2.92 0.11 -0.33 -1.01 120.40 127.14 2k4w s VAL 23 Ca -0.10 1.55 -0.08 0.00 -2.93 0.00 0.00 61.98 60.42 2k4w s VAL 23 Cb -0.13 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 2k4w s VAL 23 CO 0.03 -0.08 0.08 -0.63 -3.33 0.00 0.00 175.10 171.17 2k4w s ILE 24 N 2.84 4.97 -0.06 7.04 1.01 0.03 -0.79 121.20 136.23 2k4w s ILE 24 Ca 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 2k4w s ILE 24 Cb -0.15 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.10 2k4w s ILE 24 CO 0.07 0.46 0.02 -0.62 0.00 0.00 0.00 174.94 174.87 2k4w s ASP 25 N 0.33 1.42 0.31 3.58 2.15 -0.09 -0.67 116.67 123.69 2k4w s ASP 25 Ca 0.05 -0.04 -0.29 0.00 0.43 0.00 0.00 52.55 52.70 2k4w s ASP 25 Cb -0.12 -0.35 -0.10 0.00 -0.30 0.00 0.00 42.92 42.05 2k4w s ASP 25 CO -0.00 -0.20 1.15 -1.83 -0.17 0.00 0.00 175.17 174.11 2k4w s GLU 26 N 1.98 4.50 0.35 4.34 -1.05 0.47 -0.41 118.70 128.87 2k4w s GLU 26 Ca 0.04 1.88 0.04 0.00 -0.15 0.00 0.00 54.97 56.78 2k4w s GLU 26 Cb -0.12 -3.08 -0.01 0.00 -0.44 0.00 0.00 34.13 30.48 2k4w s GLU 26 CO -0.04 0.06 0.38 -2.37 0.95 0.00 0.00 175.26 174.23 2k4w n THR 27 N 0.93 0.00 0.20 1.83 5.66 -0.14 -2.53 114.28 120.23 2k4w n THR 27 Ca -0.00 -2.21 0.05 0.00 -3.05 0.00 0.00 64.05 58.83 2k4w n THR 27 Cb 0.45 1.20 0.42 0.00 -1.55 0.00 0.00 70.33 70.84 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 -0.69 1.09 4.22 -1.93 0.11 114.58 117.38 2k4w h GLU 28 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.18 2k4w h GLU 28 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k4w h GLU 28 CO 0.36 0.33 0.00 0.41 -2.18 0.00 0.00 179.01 177.93 2k4w n GLY 29 N -0.35 2.07 3.19 1.92 0.00 -1.26 -4.94 105.19 105.82 2k4w n GLY 29 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.54 -1.58 3.57 -0.02 0.00 0.37 -3.56 105.19 104.50 2k4w n GLY 30 Ca 0.16 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 3.36 -0.47 0.99 1.43 -0.82 -0.96 118.68 122.21 2k4w s LEU 31 Ca 0.00 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 2k4w s LEU 31 Cb 0.00 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.29 2k4w s LEU 31 CO 0.00 -1.70 1.14 -0.75 0.23 0.00 0.00 176.35 175.27 2k4w s LYS 32 N 5.46 3.74 -0.29 1.70 2.20 0.45 -1.04 119.74 131.95 2k4w s LYS 32 Ca 0.46 0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 56.55 2k4w s LYS 32 Cb -0.09 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 2k4w s LYS 32 CO 0.23 -1.36 0.24 0.12 -0.36 0.00 0.00 175.35 174.22 2k4w s PHE 33 N 4.43 3.22 -0.22 4.03 5.36 0.64 -0.91 117.98 134.54 2k4w s PHE 33 Ca 0.48 0.09 0.01 0.00 -0.96 0.00 0.00 56.93 56.55 2k4w s PHE 33 Cb -0.07 -2.45 0.05 0.00 -0.34 0.00 0.00 43.02 40.20 2k4w s PHE 33 CO 0.31 -0.23 -0.08 0.99 -1.46 0.00 0.00 175.22 174.75 2k4w s THR 34 N 1.83 1.61 0.68 0.12 2.01 0.03 -1.38 115.64 120.53 2k4w s THR 34 Ca 0.09 -1.15 -0.10 0.00 0.31 0.00 0.00 61.69 60.84 2k4w s THR 34 Cb -0.16 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.58 2k4w s THR 34 CO 0.11 0.02 1.05 -2.16 -0.69 0.00 0.00 174.62 172.95 2k4w s PRO 35 N 1.38 2.78 0.00 4.92 0.04 -1.26 -1.19 135.00 141.67 2k4w s PRO 35 Ca -0.04 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.35 2k4w s PRO 35 Cb -0.18 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.39 2k4w s PRO 35 CO -0.07 -1.00 0.93 -2.39 0.04 0.00 0.00 177.00 174.51 2k4w n HIS 36 N -2.92 0.00 -3.19 0.56 1.44 -1.06 -4.35 115.22 105.70 2k4w n HIS 36 Ca 0.06 -0.29 -0.33 0.00 -2.01 0.00 0.00 57.72 55.14 2k4w n HIS 36 Cb 0.58 0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.80 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 4.17 0.04 2.39 1.02 -0.80 -4.80 118.68 120.70 2k4w s LEU 37 Ca 0.09 1.24 0.08 0.00 0.02 0.00 0.00 54.13 55.56 2k4w s LEU 37 Cb 0.10 -3.84 -0.03 0.00 0.02 0.00 0.00 46.19 42.45 2k4w s LEU 37 CO -0.05 -0.10 -0.22 -1.59 0.02 0.00 0.00 176.35 174.41 2k4w s LYS 38 N -2.63 1.51 0.00 1.70 0.00 -1.22 -0.33 119.74 118.76 2k4w s LYS 38 Ca 0.49 -0.97 0.00 0.00 0.00 0.00 0.00 55.97 55.49 2k4w s LYS 38 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 37.83 36.08 2k4w s LYS 38 CO 0.19 0.42 0.00 0.00 0.00 0.00 0.00 175.35 175.96 2k4w n ALA 39 N 1.87 0.00 -2.49 0.59 0.00 0.02 -4.80 120.51 115.70 2k4w n ALA 39 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 2k4w n ALA 39 Cb 0.53 -0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.08 2.64 0.06 0.00 1.02 -0.87 -5.05 118.68 116.39 2k4w s LEU 40 Ca 0.00 -1.05 -0.31 0.00 0.02 0.00 0.00 54.13 52.79 2k4w s LEU 40 Cb 0.00 -1.10 -0.08 0.00 0.02 0.00 0.00 46.19 45.03 2k4w s LEU 40 CO 0.00 -0.01 1.58 -2.16 0.02 0.00 0.00 176.35 175.78 2k4w s PRO 41 N -3.54 4.22 -1.38 1.29 0.04 -1.26 -4.37 135.00 130.00 2k4w s PRO 41 Ca 0.31 2.24 -0.16 0.00 0.04 0.00 0.00 61.00 63.43 2k4w s PRO 41 Cb -0.04 -3.55 0.06 0.00 0.04 0.00 0.00 34.50 31.01 2k4w s PRO 41 CO 0.15 -0.68 1.99 -0.35 0.04 0.00 0.00 177.00 178.16 2k4w n PRO 42 N 5.39 3.03 -2.91 0.56 -0.04 -1.26 -4.80 135.00 134.97 2k4w n PRO 42 Ca 0.15 -2.94 -0.09 0.00 -0.04 0.00 0.00 63.50 60.58 2k4w n PRO 42 Cb 0.41 -3.36 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 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 4.62 3.69 3.72 0.55 0.00 -1.26 -4.75 105.19 111.75 2k4w n GLY 43 Ca 0.50 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2k4w n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k4w n GLU 44 N -0.31 2.20 -3.88 1.61 1.02 -1.26 -3.99 120.64 116.02 2k4w n GLU 44 Ca 0.00 0.77 -0.20 0.00 -0.02 0.00 0.00 57.16 57.72 2k4w n GLU 44 Cb 0.24 -2.41 -0.17 0.00 -0.02 0.00 0.00 31.44 29.08 2k4w n GLU 44 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2k4w s HIS 45 N -1.12 0.46 0.56 -0.32 3.76 -0.38 -4.40 115.29 113.84 2k4w s HIS 45 Ca 0.56 -0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 55.24 2k4w s HIS 45 Cb -0.53 -0.58 -0.09 0.00 1.11 0.00 0.00 32.58 32.48 2k4w s HIS 45 CO 0.62 -0.21 0.46 0.41 -0.85 0.00 0.00 174.74 175.16 2k4w n GLY 46 N 4.59 -1.68 2.96 -2.22 0.00 -0.44 0.12 105.19 108.52 2k4w n GLY 46 Ca -0.17 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2k4w n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4w s PHE 47 N -1.74 0.97 0.22 1.61 5.36 -1.26 -0.68 117.98 122.46 2k4w s PHE 47 Ca 0.67 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 56.36 2k4w s PHE 47 Cb -0.45 -0.75 -0.05 0.00 -0.34 0.00 0.00 43.02 41.43 2k4w s PHE 47 CO 0.56 -0.17 0.08 -1.01 -1.46 0.00 0.00 175.22 173.21 2k4w s HIS 48 N 0.59 1.35 -0.10 10.12 3.76 -0.59 -3.22 115.29 127.19 2k4w s HIS 48 Ca -0.09 -1.20 -0.04 0.00 -0.15 0.00 0.00 55.06 53.58 2k4w s HIS 48 Cb -0.13 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 2k4w s HIS 48 CO 0.01 -0.39 0.05 0.42 -0.85 0.00 0.00 174.74 173.98 2k4w s ILE 49 N -3.85 4.71 0.35 0.60 1.01 -0.38 -0.95 121.20 122.69 2k4w s ILE 49 Ca 0.35 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.99 2k4w s ILE 49 Cb 0.07 -3.01 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 2k4w s ILE 49 CO 0.11 0.60 -0.02 -1.00 0.00 0.00 0.00 174.94 174.63 2k4w s HIS 50 N -0.87 2.50 0.19 3.97 3.76 -0.03 -4.10 115.29 120.71 2k4w s HIS 50 Ca 0.13 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 2k4w s HIS 50 Cb -0.12 -1.48 0.09 0.00 1.11 0.00 0.00 32.58 32.19 2k4w s HIS 50 CO 0.03 0.51 1.45 0.00 -0.85 0.00 0.00 174.74 175.87 2k4w h ALA 51 N 1.87 0.64 -3.37 -1.40 0.00 -0.05 -3.28 119.26 113.68 2k4w h ALA 51 Ca -0.43 -0.62 -0.57 0.00 0.00 0.00 0.00 54.91 53.29 2k4w h ALA 51 Cb 1.25 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 2k4w h ALA 51 CO 0.69 0.79 -0.82 -0.80 0.00 0.00 0.00 179.25 179.11 2k4w s ASN 52 N -6.94 2.81 -1.29 0.00 0.01 -0.39 -4.70 114.94 104.45 2k4w s ASN 52 Ca -0.04 -0.78 -0.17 0.00 -0.71 0.00 0.00 52.86 51.15 2k4w s ASN 52 Cb 0.11 -0.17 0.09 0.00 0.41 0.00 0.00 41.25 41.69 2k4w s ASN 52 CO 0.83 0.05 1.69 0.61 -1.51 0.00 0.00 177.10 178.76 2k4w n GLY 53 N 0.67 2.78 2.70 0.66 0.00 0.04 -2.70 105.19 109.35 2k4w n GLY 53 Ca -0.16 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 2k4w n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4w n SER 54 N 7.80 -1.89 -3.43 1.61 3.41 -1.26 -4.92 113.62 114.94 2k4w n SER 54 Ca 0.47 -2.93 -0.34 0.00 -0.26 0.00 0.00 58.87 55.80 2k4w n SER 54 Cb 0.45 1.59 -0.06 0.00 -0.26 0.00 0.00 64.21 65.94 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k4w s GLN 56 N 5.09 1.02 0.13 0.00 1.11 -1.26 -3.68 119.66 122.07 2k4w s GLN 56 Ca 0.49 -1.30 -0.30 0.00 0.01 0.00 0.00 55.36 54.26 2k4w s GLN 56 Cb 0.12 -0.77 -0.07 0.00 -1.01 0.00 0.00 33.01 31.29 2k4w s GLN 56 CO 0.12 0.13 1.09 -1.25 0.01 0.00 0.00 175.29 175.39 2k4w s PRO 57 N -3.04 4.57 0.68 2.91 0.04 -0.62 -1.38 135.00 138.16 2k4w s PRO 57 Ca 0.11 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2k4w s PRO 57 Cb -0.02 -3.32 0.11 0.00 0.04 0.00 0.00 34.50 31.31 2k4w s PRO 57 CO 0.02 0.01 0.95 0.00 0.04 0.00 0.00 177.00 178.01 2k4w s ALA 58 N 0.19 3.78 -0.20 8.56 0.00 -1.25 -4.69 121.76 128.15 2k4w s ALA 58 Ca 0.51 -1.67 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 2k4w s ALA 58 Cb -0.28 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2k4w s ALA 58 CO 0.32 -1.31 0.08 0.42 0.00 0.00 0.00 175.76 175.27 2k4w s ILE 59 N -3.06 4.86 0.00 0.00 -1.09 -1.26 -0.68 121.20 119.98 2k4w s ILE 59 Ca 0.64 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 2k4w s ILE 59 Cb -0.06 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 2k4w s ILE 59 CO 0.43 0.44 0.00 1.17 -1.23 0.00 0.00 174.94 175.75 2k4w n LYS 60 N 3.72 0.00 -3.87 2.79 3.00 -1.25 -4.95 118.16 117.60 2k4w n LYS 60 Ca -0.16 0.12 -0.30 0.00 -0.00 0.00 0.00 58.31 57.97 2k4w n LYS 60 Cb 0.52 -0.57 -0.16 0.00 0.00 0.00 0.00 35.03 34.82 2k4w n LYS 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2k4w s ASP 61 N -3.37 3.85 0.00 3.14 -1.08 -1.26 -4.95 116.67 113.01 2k4w s ASP 61 Ca 0.00 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 50.69 2k4w s ASP 61 Cb 0.00 -1.07 0.00 0.00 -1.46 0.00 0.00 42.92 40.39 2k4w s ASP 61 CO 0.00 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.00 2k4w n GLY 62 N 4.72 0.67 3.68 2.66 0.00 -1.26 -4.90 105.19 110.76 2k4w n GLY 62 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.44 -0.82 1.61 -2.07 -1.26 -5.01 119.66 114.54 2k4w s GLN 63 Ca 0.00 -1.26 -0.25 0.00 -1.82 0.00 0.00 55.36 52.02 2k4w s GLN 63 Cb 0.00 -2.29 0.02 0.00 -1.09 0.00 0.00 33.01 29.65 2k4w s GLN 63 CO 0.00 0.40 1.51 0.00 -1.32 0.00 0.00 175.29 175.88 2k4w s ALA 64 N -2.11 2.50 -1.29 2.60 0.00 -1.26 -3.96 121.76 118.24 2k4w s ALA 64 Ca 0.30 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 2k4w s ALA 64 Cb -0.07 -4.38 0.05 0.00 0.00 0.00 0.00 23.12 18.72 2k4w s ALA 64 CO 0.20 -3.68 1.76 0.14 0.00 0.00 0.00 175.76 174.19 2k4w s VAL 65 N 6.65 4.06 0.00 0.00 -7.23 0.15 -4.72 120.40 119.30 2k4w s VAL 65 Ca 0.48 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2k4w s VAL 65 Cb -0.06 -5.13 0.00 0.00 0.56 0.00 0.00 36.38 31.74 2k4w s VAL 65 CO 0.07 -1.92 0.00 0.00 -0.31 0.00 0.00 175.10 172.94 2k4w n ALA 66 N 9.04 0.00 -1.39 1.32 0.00 -1.26 -1.32 120.51 126.89 2k4w n ALA 66 Ca 0.48 0.00 0.08 0.00 0.00 0.00 0.00 53.44 54.00 2k4w n ALA 66 Cb 0.46 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.08 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 7.93 2.94 1.66 0.00 0.00 -1.25 -1.59 120.51 130.19 2k4w n ALA 67 Ca 0.00 -2.91 0.01 0.00 0.00 0.00 0.00 53.44 50.54 2k4w n ALA 67 Cb 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.19 1.17 0.00 0.00 -0.58 -0.44 -2.10 120.64 117.51 2k4w n GLU 68 Ca 0.17 -0.23 0.14 0.00 -0.42 0.00 0.00 57.16 56.82 2k4w n GLU 68 Cb 0.68 -1.13 0.72 0.00 -0.57 0.00 0.00 31.44 31.14 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k4w n ALA 69 N -0.26 2.43 0.56 0.62 0.00 -0.48 -4.27 120.51 119.10 2k4w n ALA 69 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k4w n ALA 69 Cb 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.92 0.00 0.00 0.00 -0.89 -4.71 120.51 115.50 2k4w n ALA 70 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2k4w n ALA 70 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.41 1.78 0.00 0.00 0.00 -1.26 -1.26 105.19 104.86 2k4w n GLY 71 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -1.10 2.43 -0.02 0.00 -1.26 -4.88 105.19 100.36 2k4w n GLY 72 Ca 0.00 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 1.88 2.67 -3.27 1.61 8.25 -1.26 -1.33 115.22 123.78 2k4w n HIS 73 Ca 0.00 -3.04 -0.09 0.00 -0.26 0.00 0.00 57.72 54.33 2k4w n HIS 73 Cb 0.00 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 28.68 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 3.90 -0.27 -3.05 2.41 7.94 -1.26 -4.88 117.00 121.79 2k4w n LEU 74 Ca 0.71 -0.30 -0.24 0.00 -1.11 0.00 0.00 56.01 55.07 2k4w n LEU 74 Cb 0.27 -0.41 -0.04 0.00 0.53 0.00 0.00 43.42 43.77 2k4w n LEU 74 CO 0.85 0.16 0.01 -0.90 -1.11 0.00 0.00 177.39 176.40 2k4w n ASP 75 N -0.12 3.14 -0.16 1.96 5.68 -1.26 -4.85 116.55 120.94 2k4w n ASP 75 Ca -0.06 -3.43 -0.11 0.00 -0.50 0.00 0.00 54.79 50.69 2k4w n ASP 75 Cb 0.17 -0.59 -0.00 0.00 -1.14 0.00 0.00 41.12 39.56 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2k4w h PRO 76 N 3.06 0.92 -3.51 0.11 0.13 -2.01 -3.47 132.00 127.23 2k4w h PRO 76 Ca 0.12 -0.35 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2k4w h PRO 76 Cb 0.67 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 31.65 2k4w h PRO 76 CO 0.71 1.01 -0.09 -0.65 -0.23 0.00 0.00 178.00 178.75 2k4w s GLN 77 N -4.79 1.35 0.00 0.86 -1.52 -1.26 -5.05 119.66 109.25 2k4w s GLN 77 Ca -0.12 -1.01 0.00 0.00 -1.95 0.00 0.00 55.36 52.28 2k4w s GLN 77 Cb 0.12 0.47 0.00 0.00 -0.22 0.00 0.00 33.01 33.38 2k4w s GLN 77 CO 0.85 -0.55 0.00 0.09 -0.25 0.00 0.00 175.29 175.42 2k4w n ASN 78 N -0.31 0.00 0.00 5.90 3.02 -1.26 -4.88 115.26 117.73 2k4w n ASN 78 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2k4w n ASN 78 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2k4w n THR 79 N 0.00 0.00 0.00 3.41 5.66 -1.26 -4.82 114.28 117.27 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 1.07 0.32 1.09 0.00 -1.26 -4.98 105.19 101.43 2k4w n GLY 80 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 3.38 0.00 -1.26 1.61 1.57 -1.93 -3.47 116.57 116.47 2k4w h LYS 81 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k4w h LYS 81 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k4w h LYS 81 CO 0.00 0.00 -0.23 1.58 -0.57 0.00 0.00 179.45 180.23 2k4w n HIS 82 N -3.77 -1.17 -0.08 -1.35 -0.00 -1.26 -4.86 115.22 102.74 2k4w n HIS 82 Ca -0.01 0.64 -0.12 0.00 -0.00 0.00 0.00 57.72 58.22 2k4w n HIS 82 Cb 0.19 -2.15 -0.04 0.00 -0.00 0.00 0.00 29.99 27.99 2k4w n HIS 82 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2k4w n GLU 83 N -0.02 0.45 0.00 1.57 4.71 -0.18 -4.47 120.64 122.71 2k4w n GLU 83 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 2k4w n GLU 83 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k4w n GLY 84 N 1.73 1.94 0.00 0.62 0.00 -1.26 -1.89 105.19 106.33 2k4w n GLY 84 Ca -0.21 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2k4w n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k4w n PRO 85 N 0.00 0.00 -2.55 1.61 -0.04 -1.25 -3.61 135.00 129.16 2k4w n PRO 85 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2k4w n PRO 85 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2k4w n PRO 85 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k4w n GLU 86 N 0.00 3.21 0.00 0.54 0.28 -1.26 -4.90 120.64 118.51 2k4w n GLU 86 Ca 0.00 -4.44 0.00 0.00 -0.16 0.00 0.00 57.16 52.56 2k4w n GLU 86 Cb 0.00 -2.17 0.00 0.00 1.43 0.00 0.00 31.44 30.70 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 87 N -0.41 1.64 0.00 -1.84 0.00 -1.26 -5.05 105.19 98.27 2k4w n GLY 87 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 3.67 -2.46 1.61 1.13 -1.26 -5.04 117.38 115.03 2k4w n GLN 88 Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 2k4w n GLN 88 Cb 0.00 -0.31 -0.03 0.00 0.11 0.00 0.00 30.24 30.01 2k4w n GLN 88 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2k4w s GLY 89 N 0.00 0.99 -0.09 1.08 0.00 -1.26 -4.66 107.32 103.37 2k4w s GLY 89 Ca 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 44.72 42.77 2k4w s GLY 89 CO 0.00 2.83 0.09 1.57 0.00 0.00 0.00 173.10 177.58 2k4w n HIS 90 N 9.87 -1.91 0.31 1.90 -0.00 -1.26 -1.01 115.22 123.12 2k4w n HIS 90 Ca 0.28 1.06 0.14 0.00 0.46 0.00 0.00 57.72 59.66 2k4w n HIS 90 Cb 0.50 -2.57 0.64 0.00 -0.12 0.00 0.00 29.99 28.45 2k4w n HIS 90 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 2k4w h LEU 91 N 1.68 0.00 -1.16 0.27 -0.00 -1.89 -2.54 115.31 111.66 2k4w h LEU 91 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2k4w h LEU 91 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2k4w h LEU 91 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.06 2k4w n GLY 92 N -0.38 0.45 3.85 0.17 0.00 -1.26 -4.75 105.19 103.27 2k4w n GLY 92 Ca 0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.15 6.57 0.05 1.61 1.01 -0.96 -1.25 116.67 122.56 2k4w s ASP 93 Ca 0.25 1.51 -0.27 0.00 0.71 0.00 0.00 52.55 54.75 2k4w s ASP 93 Cb 0.13 -2.49 0.07 0.00 1.01 0.00 0.00 42.92 41.64 2k4w s ASP 93 CO 0.18 -0.60 0.63 -0.76 0.21 0.00 0.00 175.17 174.83 2k4w s LEU 94 N -4.16 -0.55 0.41 1.23 1.02 -1.20 -4.87 118.68 110.56 2k4w s LEU 94 Ca 0.58 0.37 -0.26 0.00 0.02 0.00 0.00 54.13 54.84 2k4w s LEU 94 Cb -0.10 2.51 -0.09 0.00 0.02 0.00 0.00 46.19 48.54 2k4w s LEU 94 CO 0.34 -0.77 1.26 -2.16 0.02 0.00 0.00 176.35 175.04 2k4w s PRO 95 N -2.36 3.98 0.14 1.29 0.04 -1.26 -4.30 135.00 132.53 2k4w s PRO 95 Ca -0.06 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2k4w s PRO 95 Cb -0.00 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 2k4w s PRO 95 CO -0.01 -0.45 1.19 0.08 0.04 0.00 0.00 177.00 177.85 2k4w s VAL 96 N -1.30 3.74 -0.67 -0.36 1.01 -1.26 -4.37 120.40 117.19 2k4w s VAL 96 Ca 0.57 1.39 -0.26 0.00 0.00 0.00 0.00 61.98 63.68 2k4w s VAL 96 Cb -0.36 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2k4w s VAL 96 CO 0.46 0.19 1.69 -0.22 0.00 0.00 0.00 175.10 177.22 2k4w s LEU 97 N 0.17 3.25 -0.17 3.92 1.98 0.12 -4.86 118.68 123.09 2k4w s LEU 97 Ca 0.54 0.04 -0.29 0.00 -2.89 0.00 0.00 54.13 51.53 2k4w s LEU 97 Cb -0.31 -2.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.99 2k4w s LEU 97 CO 0.34 -2.23 1.11 -0.69 -1.89 0.00 0.00 176.35 172.99 2k4w s VAL 98 N 8.11 4.54 -0.17 1.68 1.01 -1.26 -1.26 120.40 133.06 2k4w s VAL 98 Ca 0.58 1.85 -0.07 0.00 0.00 0.00 0.00 61.98 64.34 2k4w s VAL 98 Cb -0.11 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2k4w s VAL 98 CO 0.18 -0.11 0.06 -0.69 0.00 0.00 0.00 175.10 174.53 2k4w s VAL 99 N 2.95 4.78 0.38 2.92 1.01 -1.26 -4.05 120.40 127.13 2k4w s VAL 99 Ca 0.49 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 2k4w s VAL 99 Cb -0.18 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 2k4w s VAL 99 CO 0.12 0.48 0.91 0.54 0.00 0.00 0.00 175.10 177.16 2k4w s ASN 100 N 0.17 7.03 0.61 3.32 4.22 0.27 -4.52 114.94 126.03 2k4w s ASN 100 Ca 0.04 1.66 0.28 0.00 -2.14 0.00 0.00 52.86 52.70 2k4w s ASN 100 Cb -0.12 -2.52 0.96 0.00 1.28 0.00 0.00 41.25 40.84 2k4w s ASN 100 CO 0.01 -0.24 1.31 -0.55 -2.04 0.00 0.00 177.10 175.58 2k4w h ASN 101 N 2.36 0.00 1.09 3.54 7.08 -1.86 -1.34 115.58 126.45 2k4w h ASN 101 Ca -0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 2k4w h ASN 101 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2k4w h ASN 101 CO 0.63 0.00 0.00 0.44 -2.08 0.00 0.00 177.43 176.42 2k4w h ASP 102 N 0.00 0.00 -0.01 6.14 5.19 -1.94 -3.45 116.42 122.34 2k4w h ASP 102 Ca 0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 2k4w h ASP 102 Cb 2.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.50 2k4w h ASP 102 CO -0.01 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.72 2k4w n GLY 103 N 0.12 1.73 2.99 2.75 0.00 -0.51 -4.96 105.19 107.30 2k4w n GLY 103 Ca 0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.37 -0.19 -0.61 1.01 -1.18 -0.80 121.20 117.78 2k4w s ILE 104 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2k4w s ILE 104 Cb 0.00 -0.39 0.04 0.00 0.01 0.00 0.00 42.46 42.12 2k4w s ILE 104 CO 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 174.94 174.68 2k4w s ALA 105 N -0.75 1.94 0.00 9.38 0.00 0.55 -0.57 121.76 132.31 2k4w s ALA 105 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2k4w s ALA 105 Cb -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2k4w s ALA 105 CO -0.00 -0.80 0.01 -2.37 0.00 0.00 0.00 175.76 172.60 2k4w n THR 106 N 4.71 0.00 -2.35 0.00 5.66 -1.26 -1.91 114.28 119.12 2k4w n THR 106 Ca -0.14 -0.35 -0.43 0.00 -3.05 0.00 0.00 64.05 60.08 2k4w n THR 106 Cb 0.47 1.01 -0.02 0.00 -1.55 0.00 0.00 70.33 70.23 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 -0.69 4.22 0.40 1.09 0.41 -1.26 -4.39 118.70 118.49 2k4w s GLU 107 Ca 0.00 1.75 -0.12 0.00 -0.41 0.00 0.00 54.97 56.20 2k4w s GLU 107 Cb 0.00 -3.80 -0.07 0.00 -1.78 0.00 0.00 34.13 28.48 2k4w s GLU 107 CO 0.00 -0.73 0.78 -1.25 -0.49 0.00 0.00 175.26 173.57 2k4w s PRO 108 N 3.59 3.84 0.15 0.39 0.04 -1.26 -4.51 135.00 137.23 2k4w s PRO 108 Ca 0.58 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 2k4w s PRO 108 Cb -0.24 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2k4w s PRO 108 CO 0.17 -0.02 0.26 0.14 0.04 0.00 0.00 177.00 177.59 2k4w s VAL 109 N -2.32 0.08 -0.01 -0.36 -7.23 -0.48 -5.03 120.40 105.05 2k4w s VAL 109 Ca 0.52 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2k4w s VAL 109 Cb -0.10 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.08 2k4w s VAL 109 CO 0.29 -0.36 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.80 2k4w s THR 110 N -3.95 0.27 -0.52 5.32 2.01 -1.26 -0.26 115.64 117.24 2k4w s THR 110 Ca 0.16 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.94 2k4w s THR 110 Cb 0.04 -0.27 0.13 0.00 0.01 0.00 0.00 72.50 72.41 2k4w s THR 110 CO -0.02 0.11 0.45 0.00 -0.69 0.00 0.00 174.62 174.47 2k4w s ALA 111 N 0.30 3.57 -1.86 7.40 0.00 -0.21 -4.83 121.76 126.12 2k4w s ALA 111 Ca -0.03 -2.56 0.29 0.00 0.00 0.00 0.00 51.96 49.66 2k4w s ALA 111 Cb -0.06 -3.12 1.66 0.00 0.00 0.00 0.00 23.12 21.59 2k4w s ALA 111 CO -0.01 -1.99 2.04 -0.35 0.00 0.00 0.00 175.76 175.46 2k4w n PRO 112 N 5.11 0.79 0.00 0.00 -0.04 -1.23 -1.94 135.00 137.68 2k4w n PRO 112 Ca -0.11 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 2k4w n PRO 112 Cb 0.40 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.07 0.99 -4.20 0.54 3.00 -1.26 -4.72 116.66 109.95 2k4w n ARG 113 Ca 0.20 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.90 2k4w n ARG 113 Cb 0.13 -1.21 -0.09 0.00 0.00 0.00 0.00 32.46 31.28 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k4w s LEU 114 N -1.43 1.21 0.00 0.55 1.43 -1.21 -4.98 118.68 114.25 2k4w s LEU 114 Ca 0.20 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 2k4w s LEU 114 Cb 0.09 0.52 0.00 0.00 0.03 0.00 0.00 46.19 46.84 2k4w s LEU 114 CO 0.16 -0.91 0.00 2.29 0.23 0.00 0.00 176.35 178.12 2k4w n LYS 115 N -0.35 0.00 -3.83 1.70 0.00 -1.26 -3.57 118.16 110.85 2k4w n LYS 115 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.24 2k4w n LYS 115 Cb 0.65 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.60 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k4w s SER 116 N 0.00 0.03 0.41 -5.58 0.15 -1.26 -4.45 113.70 102.99 2k4w s SER 116 Ca 0.00 -0.41 0.20 0.00 0.70 0.00 0.00 55.95 56.44 2k4w s SER 116 Cb 0.00 0.31 0.84 0.00 -1.71 0.00 0.00 66.02 65.46 2k4w s SER 116 CO 0.00 -0.61 1.81 -0.07 1.20 0.00 0.00 173.24 175.57 2k4w h LEU 117 N 3.23 0.00 -0.66 3.45 -0.00 -1.97 -3.37 115.31 116.00 2k4w h LEU 117 Ca -0.33 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.62 2k4w h LEU 117 Cb 1.20 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.80 2k4w h LEU 117 CO 0.50 0.31 0.35 -0.78 -0.00 0.00 0.00 178.44 178.82 2k4w h ASP 118 N 0.00 0.49 0.32 -0.43 3.58 -2.00 -0.28 116.42 118.10 2k4w h ASP 118 Ca -0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k4w h ASP 118 Cb 0.76 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2k4w h ASP 118 CO 0.04 0.31 0.00 -1.84 -2.88 0.00 0.00 179.24 174.87 2k4w n GLU 119 N -4.83 0.06 -0.29 0.28 0.28 -1.26 -3.00 120.64 111.88 2k4w n GLU 119 Ca 0.09 0.26 0.06 0.00 -0.16 0.00 0.00 57.16 57.40 2k4w n GLU 119 Cb 0.20 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.65 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2k4w n VAL 120 N -1.42 1.09 0.56 3.84 0.24 -0.15 -4.90 118.33 117.59 2k4w n VAL 120 Ca 0.04 -1.35 0.06 0.00 -2.04 0.00 0.00 64.34 61.04 2k4w n VAL 120 Cb 0.12 0.09 0.30 0.00 -1.47 0.00 0.00 33.84 32.87 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 -0.81 0.16 -2.74 7.34 2.85 -1.00 -2.74 118.16 121.22 2k4w n LYS 121 Ca 0.09 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 2k4w n LYS 121 Cb 0.68 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.61 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 -1.31 1.28 -4.45 -5.58 2.03 -1.26 -4.89 116.55 102.37 2k4w n ASP 122 Ca 0.05 -2.03 -0.29 0.00 0.52 0.00 0.00 54.79 53.04 2k4w n ASP 122 Cb 0.10 -0.37 -0.12 0.00 -0.72 0.00 0.00 41.12 40.01 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 -3.25 1.71 -0.01 -0.67 -0.14 -1.11 -0.78 119.74 115.49 2k4w s LYS 123 Ca 0.26 -1.20 -0.23 0.00 -1.36 0.00 0.00 55.97 53.44 2k4w s LYS 123 Cb 0.33 -2.05 -0.05 0.00 -1.68 0.00 0.00 37.83 34.38 2k4w s LYS 123 CO -0.05 0.48 0.69 0.00 -0.76 0.00 0.00 175.35 175.70 2k4w s ALA 124 N -1.07 3.40 -0.12 5.17 0.00 -1.10 -1.50 121.76 126.53 2k4w s ALA 124 Ca 0.16 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 2k4w s ALA 124 Cb -0.10 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2k4w s ALA 124 CO 0.08 0.04 0.02 -0.51 0.00 0.00 0.00 175.76 175.39 2k4w s LEU 125 N 0.19 3.63 -0.04 0.00 1.02 -0.84 -0.85 118.68 121.80 2k4w s LEU 125 Ca 0.36 0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.63 2k4w s LEU 125 Cb -0.19 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.17 2k4w s LEU 125 CO 0.19 0.30 -0.09 -0.04 0.02 0.00 0.00 176.35 176.74 2k4w s MET 126 N -0.41 1.06 -0.09 1.70 -1.94 -0.13 -0.60 119.30 118.90 2k4w s MET 126 Ca 0.08 -0.28 -0.16 0.00 -1.71 0.00 0.00 55.69 53.62 2k4w s MET 126 Cb -0.12 -0.97 -0.05 0.00 2.01 0.00 0.00 34.83 35.70 2k4w s MET 126 CO 0.02 0.05 0.41 0.42 -0.01 0.00 0.00 175.02 175.92 2k4w s ILE 127 N 0.44 5.17 0.01 2.53 1.01 0.30 -1.55 121.20 129.11 2k4w s ILE 127 Ca -0.07 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.44 2k4w s ILE 127 Cb -0.11 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2k4w s ILE 127 CO 0.01 0.42 -0.12 -1.00 0.00 0.00 0.00 174.94 174.24 2k4w s HIS 128 N 0.09 1.10 0.04 3.97 3.76 0.15 -0.59 115.29 123.81 2k4w s HIS 128 Ca 0.23 -0.26 -0.21 0.00 -0.15 0.00 0.00 55.06 54.67 2k4w s HIS 128 Cb -0.15 -0.69 -0.14 0.00 1.11 0.00 0.00 32.58 32.71 2k4w s HIS 128 CO 0.10 -0.00 1.38 0.28 -0.85 0.00 0.00 174.74 175.65 2k4w h VAL 129 N 4.71 1.32 -3.71 -0.90 2.07 -1.15 -2.00 116.25 116.60 2k4w h VAL 129 Ca -0.35 -1.16 -0.50 0.00 0.82 0.00 0.00 66.70 65.52 2k4w h VAL 129 Cb 1.17 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2k4w h VAL 129 CO 0.47 0.34 0.37 -0.83 0.02 0.00 0.00 177.57 177.94 2k4w s GLY 130 N -3.29 3.08 0.55 2.17 0.00 -1.26 -4.41 107.32 104.15 2k4w s GLY 130 Ca -0.14 0.65 -0.21 0.00 0.00 0.00 0.00 44.72 45.02 2k4w s GLY 130 CO 0.74 1.31 1.32 -0.32 0.00 0.00 0.00 173.10 176.14 2k4w s GLY 131 N -0.85 2.86 -1.16 0.20 0.00 -1.26 -1.32 107.32 105.78 2k4w s GLY 131 Ca 0.43 1.25 -0.09 0.00 0.00 0.00 0.00 44.72 46.31 2k4w s GLY 131 CO 0.33 1.75 1.42 1.34 0.00 0.00 0.00 173.10 177.94 2k4w n ASP 132 N -1.08 5.58 -2.71 1.64 2.03 -1.26 -4.64 116.55 116.12 2k4w n ASP 132 Ca 0.11 -3.12 -0.07 0.00 0.52 0.00 0.00 54.79 52.22 2k4w n ASP 132 Cb 0.46 -1.42 0.09 0.00 -0.72 0.00 0.00 41.12 39.53 2k4w n ASP 132 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k4w n ASN 133 N 3.36 -1.97 -3.63 1.67 5.15 -1.25 -3.75 115.26 114.84 2k4w n ASN 133 Ca 0.31 -2.92 -0.07 0.00 -0.60 0.00 0.00 54.58 51.29 2k4w n ASN 133 Cb 0.38 1.48 -0.09 0.00 -0.53 0.00 0.00 39.78 41.03 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2k4w s MET 134 N 0.20 0.36 0.01 1.20 -1.94 -0.79 -5.03 119.30 113.31 2k4w s MET 134 Ca 0.20 1.07 0.00 0.00 -1.71 0.00 0.00 55.69 55.25 2k4w s MET 134 Cb 0.30 0.37 -0.00 0.00 2.01 0.00 0.00 34.83 37.51 2k4w s MET 134 CO -0.08 -0.27 0.01 0.45 -0.01 0.00 0.00 175.02 175.12 2k4w n SER 135 N 5.40 -0.03 0.00 3.03 2.88 -1.26 -1.47 113.62 122.16 2k4w n SER 135 Ca -0.09 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 2k4w n SER 135 Cb 0.49 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.33 0.00 -4.73 -3.46 -0.08 -1.26 -4.87 116.55 99.82 2k4w n ASP 136 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2k4w n ASP 136 Cb 0.01 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.54 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2k4w s GLN 137 N 0.00 2.51 0.62 -0.67 -0.21 -1.26 -4.92 119.66 115.72 2k4w s GLN 137 Ca 0.00 2.03 0.39 0.00 0.02 0.00 0.00 55.36 57.80 2k4w s GLN 137 Cb 0.00 -1.84 2.01 0.00 1.00 0.00 0.00 33.01 34.18 2k4w s GLN 137 CO 0.00 -1.62 2.24 -1.00 -2.12 0.00 0.00 175.29 172.79 2k4w h PRO 138 N 0.46 0.00 -3.79 2.91 0.13 -2.03 -2.78 132.00 126.90 2k4w h PRO 138 Ca -0.51 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.84 2k4w h PRO 138 Cb 1.33 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.19 2k4w h PRO 138 CO 0.53 0.02 0.08 0.15 -0.23 0.00 0.00 178.00 178.55 2k4w s LYS 139 N -4.09 3.56 0.85 0.86 1.02 -1.26 -5.07 119.74 115.61 2k4w s LYS 139 Ca -0.03 -2.52 -0.11 0.00 0.02 0.00 0.00 55.97 53.33 2k4w s LYS 139 Cb 0.12 -4.38 0.10 0.00 -0.52 0.00 0.00 37.83 33.15 2k4w s LYS 139 CO 0.48 -1.28 1.10 -1.25 -0.92 0.00 0.00 175.35 173.48 2k4w s PRO 140 N 0.04 1.63 0.00 -1.68 0.04 -1.05 -2.43 135.00 131.55 2k4w s PRO 140 Ca 0.19 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2k4w s PRO 140 Cb -0.11 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2k4w s PRO 140 CO -0.09 -2.09 0.00 1.28 0.04 0.00 0.00 177.00 176.14 2k4w n LEU 141 N -3.83 0.97 0.00 -3.56 4.32 -0.55 -1.63 117.00 112.72 2k4w n LEU 141 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 2k4w n LEU 141 Cb 0.53 -2.39 0.00 0.00 -1.62 0.00 0.00 43.42 39.94 2k4w n LEU 141 CO 0.53 -0.95 0.00 0.61 -1.22 0.00 0.00 177.39 176.36 2k4w n GLY 142 N 0.74 0.34 0.38 -0.72 0.00 -1.02 -0.97 105.19 103.94 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 -1.49 0.69 1.75 -0.02 0.00 -0.65 -4.98 105.19 100.49 2k4w n GLY 143 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.05 2.10 0.17 -0.02 0.00 -0.14 -4.41 105.19 100.84 2k4w n GLY 144 Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 3.74 0.00 -4.16 -0.02 0.00 -1.90 -3.40 103.07 97.33 2k4w h GLY 145 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.83 2k4w h GLY 145 CO 0.07 0.00 0.83 -0.51 0.00 0.00 0.00 176.54 176.93 2k4w s THR 146 N -3.43 2.16 0.29 4.70 -4.23 -1.26 -4.93 115.64 108.94 2k4w s THR 146 Ca 0.03 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.74 2k4w s THR 146 Cb 0.09 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 2k4w s THR 146 CO 0.42 0.03 0.43 -0.13 -0.54 0.00 0.00 174.62 174.83 2k4w s ARG 147 N -1.03 3.30 -0.00 3.99 1.81 -1.26 -0.70 118.95 125.06 2k4w s ARG 147 Ca 0.59 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.80 2k4w s ARG 147 Cb -0.46 -2.83 -0.02 0.00 -0.45 0.00 0.00 34.95 31.18 2k4w s ARG 147 CO 0.52 0.23 0.03 0.98 -0.68 0.00 0.00 175.30 176.39 2k4w n TYR 148 N -1.56 0.00 -3.56 -0.53 9.36 0.24 -4.63 117.16 116.49 2k4w n TYR 148 Ca -0.05 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.08 2k4w n TYR 148 Cb 0.57 -0.03 -0.02 0.00 -0.63 0.00 0.00 39.34 39.23 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 -2.04 -1.54 0.02 2.98 0.00 -1.03 -4.36 121.76 115.79 2k4w s ALA 149 Ca -0.00 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.33 2k4w s ALA 149 Cb 0.01 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 2k4w s ALA 149 CO 0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 175.76 174.87 2k4w s GLY 151 N -0.82 1.03 0.12 0.00 0.00 0.23 -0.58 107.32 107.30 2k4w s GLY 151 Ca 0.01 -1.55 -0.31 0.00 0.00 0.00 0.00 44.72 42.87 2k4w s GLY 151 CO 0.00 1.58 1.38 0.14 0.00 0.00 0.00 173.10 176.21 2k4w s VAL 152 N 1.64 3.32 0.17 1.40 1.01 -1.26 -1.98 120.40 124.70 2k4w s VAL 152 Ca 0.08 0.95 -0.32 0.00 0.00 0.00 0.00 61.98 62.70 2k4w s VAL 152 Cb -0.17 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 2k4w s VAL 152 CO -0.23 0.08 1.77 -0.63 0.00 0.00 0.00 175.10 176.09 2k4w s ILE 153 N 1.07 2.28 -2.86 2.22 1.01 -0.56 -4.85 121.20 119.51 2k4w s ILE 153 Ca 0.64 0.04 0.25 0.00 0.00 0.00 0.00 60.65 61.58 2k4w s ILE 153 Cb -0.37 -3.03 0.29 0.00 0.01 0.00 0.00 42.46 39.37 2k4w s ILE 153 CO 0.30 0.00 1.40 0.29 0.00 0.00 0.00 174.94 176.93