#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 -0.16 -0.12 0.00 0.01 -1.26 -0.53 113.70 111.64 2k4w s SER 2 Ca 0.00 -0.06 -0.06 0.00 1.31 0.00 0.00 55.95 57.13 2k4w s SER 2 Cb 0.00 0.34 0.05 0.00 0.21 0.00 0.00 66.02 66.61 2k4w s SER 2 CO 0.00 -0.54 0.28 -0.70 0.41 0.00 0.00 173.24 172.69 2k4w s GLU 3 N -1.99 0.25 -0.72 12.44 2.56 0.46 -4.99 118.70 126.72 2k4w s GLU 3 Ca -0.09 0.56 -0.20 0.00 0.00 0.00 0.00 54.97 55.25 2k4w s GLU 3 Cb -0.03 -0.08 0.11 0.00 2.00 0.00 0.00 34.13 36.13 2k4w s GLU 3 CO 0.00 -0.15 0.91 -1.59 -0.56 0.00 0.00 175.26 173.87 2k4w s LYS 4 N 1.18 3.25 -0.40 4.30 0.00 -1.26 -0.63 119.74 126.18 2k4w s LYS 4 Ca -0.08 -1.35 -0.21 0.00 0.00 0.00 0.00 55.97 54.32 2k4w s LYS 4 Cb -0.09 -4.44 0.01 0.00 0.00 0.00 0.00 37.83 33.31 2k4w s LYS 4 CO -0.09 -1.68 0.69 0.08 0.00 0.00 0.00 175.35 174.35 2k4w s VAL 5 N 2.99 4.80 -0.43 1.79 1.01 0.22 -4.91 120.40 125.87 2k4w s VAL 5 Ca 0.21 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 2k4w s VAL 5 Cb -0.16 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.05 2k4w s VAL 5 CO 0.02 -0.50 1.40 -0.83 0.00 0.00 0.00 175.10 175.20 2k4w s GLY 6 N 1.93 1.08 -0.15 4.51 0.00 -1.26 -1.02 107.32 112.40 2k4w s GLY 6 Ca 0.26 -0.22 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 2k4w s GLY 6 CO 0.18 2.76 0.28 1.06 0.00 0.00 0.00 173.10 177.38 2k4w s MET 7 N 4.99 4.19 0.17 2.90 -1.94 -1.22 -4.46 119.30 123.94 2k4w s MET 7 Ca 0.60 0.08 0.05 0.00 -1.71 0.00 0.00 55.69 54.71 2k4w s MET 7 Cb -0.13 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.27 2k4w s MET 7 CO 0.32 0.29 0.16 -0.80 -0.01 0.00 0.00 175.02 174.99 2k4w s ASN 8 N 0.30 5.61 0.45 3.03 -0.87 -0.17 -4.32 114.94 118.98 2k4w s ASN 8 Ca 0.16 -0.11 -0.24 0.00 -1.57 0.00 0.00 52.86 51.10 2k4w s ASN 8 Cb -0.13 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.25 39.54 2k4w s ASN 8 CO 0.04 0.05 1.22 -0.76 -2.57 0.00 0.00 177.10 175.08 2k4w s LEU 9 N -3.22 4.06 0.00 0.60 1.43 0.43 -1.43 118.68 120.55 2k4w s LEU 9 Ca 0.32 2.44 -0.00 0.00 -1.03 0.00 0.00 54.13 55.86 2k4w s LEU 9 Cb -0.10 -4.14 -0.00 0.00 0.03 0.00 0.00 46.19 41.98 2k4w s LEU 9 CO 0.24 -0.96 0.00 0.68 0.23 0.00 0.00 176.35 176.55 2k4w s VAL 10 N -1.43 0.01 -0.40 -1.59 -7.23 -0.35 -0.59 120.40 108.80 2k4w s VAL 10 Ca 0.62 -0.04 0.06 0.00 -1.81 0.00 0.00 61.98 60.81 2k4w s VAL 10 Cb -0.32 -0.02 0.31 0.00 0.56 0.00 0.00 36.38 36.90 2k4w s VAL 10 CO 0.40 -0.02 1.23 1.07 -0.31 0.00 0.00 175.10 177.46 2k4w n THR 11 N 3.01 0.00 0.00 5.32 5.66 -1.22 -4.63 114.28 122.42 2k4w n THR 11 Ca -0.13 -1.20 0.00 0.00 -3.05 0.00 0.00 64.05 59.68 2k4w n THR 11 Cb 0.60 1.24 0.00 0.00 -1.55 0.00 0.00 70.33 70.62 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 0.20 0.00 0.15 1.79 0.00 -0.21 -4.58 120.51 117.86 2k4w n ALA 12 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 2k4w n ALA 12 Cb 0.73 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.24 2k4w n ALA 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k4w h GLN 13 N 0.74 0.00 0.00 0.00 -0.00 -1.88 -3.44 115.11 110.53 2k4w h GLN 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2k4w h GLN 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2k4w h GLN 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.24 2k4w n GLY 14 N 1.15 0.22 3.68 0.06 0.00 -1.26 -4.82 105.19 104.22 2k4w n GLY 14 Ca 0.01 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2k4w n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 15 N 0.00 2.69 0.00 1.61 1.01 -1.25 -3.44 120.40 121.01 2k4w s VAL 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2k4w s VAL 15 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2k4w s VAL 15 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2k4w n GLY 16 N 4.38 1.58 3.96 4.51 0.00 0.24 -5.01 105.19 114.84 2k4w n GLY 16 Ca 0.19 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 4.62 2.40 0.21 1.61 -2.07 -1.26 -4.75 119.66 120.41 2k4w s GLN 17 Ca 0.00 -0.59 0.06 0.00 -1.82 0.00 0.00 55.36 53.01 2k4w s GLN 17 Cb 0.00 -2.37 -0.04 0.00 -1.09 0.00 0.00 33.01 29.52 2k4w s GLN 17 CO 0.00 -0.92 0.16 0.45 -1.32 0.00 0.00 175.29 173.66 2k4w s SER 18 N -4.47 5.49 0.00 12.60 0.15 -1.26 -0.43 113.70 125.79 2k4w s SER 18 Ca 0.59 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2k4w s SER 18 Cb -0.10 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2k4w s SER 18 CO 0.41 0.01 0.04 2.30 1.20 0.00 0.00 173.24 177.20 2k4w n ILE 19 N -0.79 0.00 0.00 6.45 -6.64 -1.26 -4.99 119.36 112.13 2k4w n ILE 19 Ca -0.08 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 2k4w n ILE 19 Cb 0.56 1.92 0.00 0.00 -1.44 0.00 0.00 39.64 40.68 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 -0.00 1.63 2.96 3.28 0.00 -1.26 -3.01 105.19 108.79 2k4w n GLY 20 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2k4w n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 21 N -0.22 0.00 -4.66 2.61 -2.24 -1.26 -3.40 114.28 105.10 2k4w n THR 21 Ca 0.00 -1.04 -0.24 0.00 -2.27 0.00 0.00 64.05 60.49 2k4w n THR 21 Cb 0.00 -1.22 -0.16 0.00 -2.10 0.00 0.00 70.33 66.85 2k4w n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k4w s VAL 22 N -2.63 1.19 -0.09 2.28 1.01 -0.19 -3.38 120.40 118.59 2k4w s VAL 22 Ca 0.53 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2k4w s VAL 22 Cb -0.02 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2k4w s VAL 22 CO 0.36 0.35 0.87 0.54 0.00 0.00 0.00 175.10 177.23 2k4w s VAL 23 N 0.22 4.90 -0.18 2.92 0.11 -0.67 -0.61 120.40 127.09 2k4w s VAL 23 Ca -0.06 1.78 -0.07 0.00 -2.93 0.00 0.00 61.98 60.70 2k4w s VAL 23 Cb -0.12 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.50 2k4w s VAL 23 CO 0.02 0.11 0.06 -0.63 -3.33 0.00 0.00 175.10 171.33 2k4w s ILE 24 N 1.52 4.76 -0.15 7.04 1.01 0.20 -1.15 121.20 134.43 2k4w s ILE 24 Ca 0.43 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 2k4w s ILE 24 Cb -0.18 -3.14 0.05 0.00 0.01 0.00 0.00 42.46 39.20 2k4w s ILE 24 CO 0.19 0.47 0.07 -0.62 0.00 0.00 0.00 174.94 175.05 2k4w s ASP 25 N 0.27 2.25 0.34 3.58 2.15 -0.17 -0.40 116.67 124.70 2k4w s ASP 25 Ca 0.03 -0.53 -0.26 0.00 0.43 0.00 0.00 52.55 52.23 2k4w s ASP 25 Cb -0.12 -0.32 -0.10 0.00 -0.30 0.00 0.00 42.92 42.08 2k4w s ASP 25 CO 0.00 -0.31 1.00 -1.83 -0.17 0.00 0.00 175.17 173.85 2k4w s GLU 26 N 2.07 4.45 0.34 4.34 4.04 0.31 -0.36 118.70 133.87 2k4w s GLU 26 Ca 0.02 1.44 -0.03 0.00 0.04 0.00 0.00 54.97 56.44 2k4w s GLU 26 Cb -0.15 -2.75 0.00 0.00 0.02 0.00 0.00 34.13 31.25 2k4w s GLU 26 CO -0.08 0.13 0.48 -0.08 -1.84 0.00 0.00 175.26 173.87 2k4w s THR 27 N -1.58 0.00 -0.46 1.83 -1.32 0.10 -3.63 115.64 110.58 2k4w s THR 27 Ca 0.52 -1.59 0.24 0.00 -1.21 0.00 0.00 61.69 59.66 2k4w s THR 27 Cb -0.21 -2.63 0.26 0.00 -1.51 0.00 0.00 72.50 68.41 2k4w s THR 27 CO 0.27 0.00 1.73 1.21 -2.21 0.00 0.00 174.62 175.62 2k4w n GLU 28 N -0.56 0.21 -0.41 7.08 2.13 -1.26 -0.28 120.64 127.55 2k4w n GLU 28 Ca 0.01 0.43 0.08 0.00 0.66 0.00 0.00 57.16 58.33 2k4w n GLU 28 Cb 0.62 -1.89 0.27 0.00 0.27 0.00 0.00 31.44 30.70 2k4w n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4w n GLY 29 N 0.05 1.97 2.11 8.31 0.00 -1.26 -5.08 105.19 111.29 2k4w n GLY 29 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.15 -1.11 3.56 -0.02 0.00 0.62 -3.34 105.19 106.04 2k4w n GLY 30 Ca 0.20 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 3.32 -0.18 0.99 1.43 -0.81 -0.73 118.68 122.70 2k4w s LEU 31 Ca 0.00 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.17 2k4w s LEU 31 Cb 0.00 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2k4w s LEU 31 CO 0.00 -2.14 1.49 -0.75 0.23 0.00 0.00 176.35 175.18 2k4w s LYS 32 N 6.50 4.00 -0.19 1.70 2.20 0.51 -0.85 119.74 133.62 2k4w s LYS 32 Ca 0.63 1.72 -0.14 0.00 -0.36 0.00 0.00 55.97 57.82 2k4w s LYS 32 Cb -0.13 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 2k4w s LYS 32 CO 0.22 -1.03 0.32 0.12 -0.36 0.00 0.00 175.35 174.63 2k4w s PHE 33 N 4.41 3.41 -0.27 4.03 5.36 0.51 -1.00 117.98 134.43 2k4w s PHE 33 Ca 0.66 0.56 -0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2k4w s PHE 33 Cb -0.25 -2.41 0.08 0.00 -0.34 0.00 0.00 43.02 40.10 2k4w s PHE 33 CO 0.25 0.12 0.04 0.99 -1.46 0.00 0.00 175.22 175.15 2k4w s THR 34 N 0.88 1.12 0.77 0.12 2.01 -0.30 -1.31 115.64 118.93 2k4w s THR 34 Ca 0.16 -1.26 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 2k4w s THR 34 Cb -0.14 -1.66 0.05 0.00 0.01 0.00 0.00 72.50 70.76 2k4w s THR 34 CO 0.06 -0.41 1.10 -2.16 -0.69 0.00 0.00 174.62 172.52 2k4w s PRO 35 N 1.54 2.32 -0.34 4.92 0.04 -1.26 -1.67 135.00 140.55 2k4w s PRO 35 Ca 0.03 0.56 0.14 0.00 0.04 0.00 0.00 61.00 61.77 2k4w s PRO 35 Cb -0.18 -1.95 0.42 0.00 0.04 0.00 0.00 34.50 32.83 2k4w s PRO 35 CO -0.14 -1.44 1.38 -2.39 0.04 0.00 0.00 177.00 174.45 2k4w n HIS 36 N -3.29 -1.44 -3.96 0.56 1.44 -1.21 -4.22 115.22 103.09 2k4w n HIS 36 Ca 0.07 -1.93 -0.35 0.00 -2.01 0.00 0.00 57.72 53.50 2k4w n HIS 36 Cb 0.57 1.16 -0.08 0.00 0.12 0.00 0.00 29.99 31.75 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 -3.74 4.06 0.32 2.39 1.02 -1.13 -4.46 118.68 117.15 2k4w s LEU 37 Ca 0.17 0.25 0.07 0.00 0.02 0.00 0.00 54.13 54.64 2k4w s LEU 37 Cb 0.42 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.60 2k4w s LEU 37 CO -0.09 0.29 0.32 -0.54 0.02 0.00 0.00 176.35 176.35 2k4w s LYS 38 N -0.29 2.85 0.00 1.70 3.01 -1.16 -0.78 119.74 125.06 2k4w s LYS 38 Ca 0.10 -1.19 0.00 0.00 -1.01 0.00 0.00 55.97 53.86 2k4w s LYS 38 Cb -0.12 -2.57 0.00 0.00 -1.01 0.00 0.00 37.83 34.13 2k4w s LYS 38 CO 0.01 0.13 0.00 0.00 0.51 0.00 0.00 175.35 176.00 2k4w n ALA 39 N -1.41 0.00 -2.47 5.17 0.00 -0.05 -4.76 120.51 116.98 2k4w n ALA 39 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 2k4w n ALA 39 Cb 0.59 -0.26 -0.00 0.00 0.00 0.00 0.00 19.45 19.77 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k4w s LEU 40 N 0.00 3.81 0.15 0.00 2.34 -1.10 -5.05 118.68 118.84 2k4w s LEU 40 Ca 0.00 0.63 -0.31 0.00 0.06 0.00 0.00 54.13 54.50 2k4w s LEU 40 Cb 0.00 -3.52 -0.10 0.00 -0.56 0.00 0.00 46.19 42.00 2k4w s LEU 40 CO 0.00 -0.46 1.66 -2.16 -1.06 0.00 0.00 176.35 174.33 2k4w s PRO 41 N -4.52 4.18 -0.14 1.48 0.04 -1.26 -4.39 135.00 130.39 2k4w s PRO 41 Ca 0.44 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.94 2k4w s PRO 41 Cb -0.10 -3.28 0.19 0.00 0.04 0.00 0.00 34.50 31.35 2k4w s PRO 41 CO 0.40 -0.70 1.36 -0.35 0.04 0.00 0.00 177.00 177.75 2k4w n PRO 42 N 4.51 1.38 0.00 0.56 -0.04 -1.26 -4.60 135.00 135.54 2k4w n PRO 42 Ca 0.15 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2k4w n PRO 42 Cb 0.38 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2k4w n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4w n GLY 43 N 0.12 0.49 2.86 0.55 0.00 -1.26 -3.70 105.19 104.26 2k4w n GLY 43 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 2.75 0.01 -0.05 1.61 2.02 -1.26 -0.62 118.70 123.16 2k4w s GLU 44 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 54.97 55.01 2k4w s GLU 44 Cb 0.00 -0.06 0.03 0.00 0.10 0.00 0.00 34.13 34.20 2k4w s GLU 44 CO 0.00 -0.03 0.02 -1.01 0.02 0.00 0.00 175.26 174.27 2k4w s HIS 45 N 0.19 0.33 0.56 1.61 3.76 -0.32 -4.00 115.29 117.43 2k4w s HIS 45 Ca -0.02 0.04 -0.19 0.00 -0.15 0.00 0.00 55.06 54.75 2k4w s HIS 45 Cb -0.02 -0.56 -0.08 0.00 1.11 0.00 0.00 32.58 33.03 2k4w s HIS 45 CO -0.01 -0.22 0.70 0.41 -0.85 0.00 0.00 174.74 174.78 2k4w n GLY 46 N 4.90 -1.03 2.98 -2.22 0.00 0.04 0.35 105.19 110.21 2k4w n GLY 46 Ca -0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.61 2.29 0.30 1.61 5.36 -1.25 -0.49 117.98 124.20 2k4w s PHE 47 Ca 0.70 -1.48 0.10 0.00 -0.96 0.00 0.00 56.93 55.29 2k4w s PHE 47 Cb -0.45 -1.59 -0.05 0.00 -0.34 0.00 0.00 43.02 40.59 2k4w s PHE 47 CO 0.52 -0.72 -0.01 -1.01 -1.46 0.00 0.00 175.22 172.54 2k4w s HIS 48 N 1.44 2.58 -0.02 10.12 3.76 -0.54 -1.45 115.29 131.18 2k4w s HIS 48 Ca -0.00 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 2k4w s HIS 48 Cb -0.16 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2k4w s HIS 48 CO -0.08 0.55 -0.00 0.42 -0.85 0.00 0.00 174.74 174.78 2k4w s ILE 49 N -2.43 4.17 0.29 0.60 1.01 0.11 -0.95 121.20 123.99 2k4w s ILE 49 Ca 0.33 -0.52 0.11 0.00 0.00 0.00 0.00 60.65 60.57 2k4w s ILE 49 Cb -0.03 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2k4w s ILE 49 CO 0.19 0.43 -0.13 -1.00 0.00 0.00 0.00 174.94 174.43 2k4w s HIS 50 N -1.04 2.40 0.10 3.97 3.76 -0.31 -3.59 115.29 120.59 2k4w s HIS 50 Ca 0.18 -0.34 -0.15 0.00 -0.15 0.00 0.00 55.06 54.60 2k4w s HIS 50 Cb -0.11 -1.12 -0.09 0.00 1.11 0.00 0.00 32.58 32.37 2k4w s HIS 50 CO 0.08 0.66 1.42 0.00 -0.85 0.00 0.00 174.74 176.05 2k4w h ALA 51 N 2.13 0.42 -0.81 -1.40 0.00 0.41 -3.35 119.26 116.66 2k4w h ALA 51 Ca -0.41 -0.40 -0.50 0.00 0.00 0.00 0.00 54.91 53.59 2k4w h ALA 51 Cb 1.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2k4w h ALA 51 CO 0.62 0.44 -0.15 -0.80 0.00 0.00 0.00 179.25 179.35 2k4w s ASN 52 N -6.55 5.05 -0.63 0.00 0.01 0.76 -4.80 114.94 108.78 2k4w s ASN 52 Ca -0.12 -0.89 -0.03 0.00 -0.71 0.00 0.00 52.86 51.11 2k4w s ASN 52 Cb 0.09 0.23 0.16 0.00 0.41 0.00 0.00 41.25 42.14 2k4w s ASN 52 CO 0.83 -1.24 0.45 -0.83 -1.51 0.00 0.00 177.10 174.79 2k4w s GLY 53 N -4.56 2.52 -0.30 0.66 0.00 -1.16 -2.12 107.32 102.36 2k4w s GLY 53 Ca 0.56 -3.28 -0.01 0.00 0.00 0.00 0.00 44.72 41.99 2k4w s GLY 53 CO 0.35 1.10 0.79 -0.45 0.00 0.00 0.00 173.10 174.89 2k4w s SER 54 N 0.65 -1.11 0.00 1.64 0.15 -1.26 -4.87 113.70 108.89 2k4w s SER 54 Ca 0.17 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.87 2k4w s SER 54 Cb -0.20 1.67 -0.09 0.00 -1.71 0.00 0.00 66.02 65.70 2k4w s SER 54 CO -0.03 -0.20 1.78 0.00 1.20 0.00 0.00 173.24 175.99 2k4w s GLN 56 N 1.40 1.75 0.59 0.00 1.11 -1.26 -3.79 119.66 119.46 2k4w s GLN 56 Ca 0.21 -1.17 -0.06 0.00 0.01 0.00 0.00 55.36 54.35 2k4w s GLN 56 Cb 0.10 -2.06 0.01 0.00 -1.01 0.00 0.00 33.01 30.05 2k4w s GLN 56 CO 0.00 0.49 0.90 -1.25 0.01 0.00 0.00 175.29 175.44 2k4w s PRO 57 N -1.88 2.89 0.10 2.91 0.04 -1.26 -0.76 135.00 137.04 2k4w s PRO 57 Ca 0.16 -0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.25 2k4w s PRO 57 Cb -0.10 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2k4w s PRO 57 CO 0.07 -0.71 -0.19 0.00 0.04 0.00 0.00 177.00 176.21 2k4w s ALA 58 N -2.99 2.63 -0.06 8.56 0.00 -1.25 -4.77 121.76 123.90 2k4w s ALA 58 Ca 0.54 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2k4w s ALA 58 Cb -0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2k4w s ALA 58 CO 0.45 0.58 -0.22 0.42 0.00 0.00 0.00 175.76 177.00 2k4w s ILE 59 N -1.09 1.80 -0.21 0.00 -1.09 -1.26 -0.19 121.20 119.16 2k4w s ILE 59 Ca 0.17 -0.92 -0.27 0.00 -2.23 0.00 0.00 60.65 57.40 2k4w s ILE 59 Cb -0.10 -1.54 0.09 0.00 -1.58 0.00 0.00 42.46 39.33 2k4w s ILE 59 CO 0.09 0.51 0.82 -0.75 -1.23 0.00 0.00 174.94 174.37 2k4w s LYS 60 N 0.00 0.79 -1.51 2.79 2.20 -0.76 -4.99 119.74 118.26 2k4w s LYS 60 Ca -0.06 0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 56.06 2k4w s LYS 60 Cb -0.14 0.38 0.08 0.00 -1.51 0.00 0.00 37.83 36.64 2k4w s LYS 60 CO 0.04 -0.16 0.94 -3.47 -0.36 0.00 0.00 175.35 172.35 2k4w n ASP 61 N 1.92 -4.32 -0.33 1.43 2.03 -1.26 -2.23 116.55 113.79 2k4w n ASP 61 Ca -0.14 -0.79 -0.04 0.00 0.52 0.00 0.00 54.79 54.33 2k4w n ASP 61 Cb 0.56 -3.88 -0.02 0.00 -0.72 0.00 0.00 41.12 37.06 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 -1.68 0.65 3.14 0.27 0.00 -1.26 -4.98 105.19 101.32 2k4w n GLY 62 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.76 0.67 -0.08 1.61 -2.07 -0.94 -5.17 119.66 111.91 2k4w s GLN 63 Ca 0.00 -0.85 -0.01 0.00 -1.82 0.00 0.00 55.36 52.68 2k4w s GLN 63 Cb 0.00 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 2k4w s GLN 63 CO 0.00 -0.18 -0.04 0.00 -1.32 0.00 0.00 175.29 173.75 2k4w s ALA 64 N -3.09 3.09 0.07 2.60 0.00 -1.26 -1.82 121.76 121.35 2k4w s ALA 64 Ca -0.01 -0.85 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 2k4w s ALA 64 Cb 0.02 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2k4w s ALA 64 CO -0.07 0.54 0.89 0.08 0.00 0.00 0.00 175.76 177.20 2k4w s VAL 65 N -0.72 4.63 0.25 0.00 1.01 0.73 -4.93 120.40 121.38 2k4w s VAL 65 Ca 0.11 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 63.92 2k4w s VAL 65 Cb -0.11 -4.24 0.32 0.00 0.00 0.00 0.00 36.38 32.35 2k4w s VAL 65 CO 0.02 0.32 1.61 0.00 0.00 0.00 0.00 175.10 177.05 2k4w h ALA 66 N 5.75 0.73 0.00 5.51 0.00 -1.88 -3.31 119.26 126.07 2k4w h ALA 66 Ca -0.43 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k4w h ALA 66 Cb 1.21 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2k4w h ALA 66 CO 0.72 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.53 2k4w n ALA 67 N -3.13 0.00 -0.89 0.00 0.00 -1.26 -1.05 120.51 114.18 2k4w n ALA 67 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2k4w n ALA 67 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.28 0.00 4.07 0.06 -4.89 120.64 120.17 2k4w n GLU 68 Ca 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.27 2k4w n GLU 68 Cb 0.00 -0.02 0.93 0.00 -0.06 0.00 0.00 31.44 32.29 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k4w h ALA 69 N 0.00 1.53 0.00 4.31 0.00 -1.36 0.51 119.26 124.25 2k4w h ALA 69 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 69 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k4w h ALA 69 CO 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2k4w n ALA 70 N -2.28 1.08 0.00 0.00 0.00 -0.02 -4.62 120.51 114.68 2k4w n ALA 70 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k4w n ALA 70 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.42 -1.81 3.93 0.00 0.00 0.17 -0.17 105.19 105.88 2k4w n GLY 71 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 2k4w n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4w s GLY 72 N -0.39 1.81 -0.58 -0.02 0.00 -1.26 -4.64 107.32 102.24 2k4w s GLY 72 Ca 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 44.72 43.37 2k4w s GLY 72 CO 0.00 -0.47 3.04 -2.39 0.00 0.00 0.00 173.10 173.28 2k4w n HIS 73 N -3.87 0.86 -3.27 1.90 1.44 -1.26 -1.12 115.22 109.89 2k4w n HIS 73 Ca 0.16 -1.91 -0.08 0.00 -2.01 0.00 0.00 57.72 53.89 2k4w n HIS 73 Cb 0.59 -1.78 0.00 0.00 0.12 0.00 0.00 29.99 28.92 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2k4w n LEU 74 N 3.04 -5.41 -3.20 2.39 7.94 -1.24 -2.80 117.00 117.71 2k4w n LEU 74 Ca 0.51 -0.35 -0.27 0.00 -1.11 0.00 0.00 56.01 54.78 2k4w n LEU 74 Cb 0.56 -2.87 -0.06 0.00 0.53 0.00 0.00 43.42 41.58 2k4w n LEU 74 CO 0.41 -0.65 0.10 -0.90 -1.11 0.00 0.00 177.39 175.24 2k4w n ASP 75 N -2.07 4.02 0.14 1.96 5.75 -1.26 -2.15 116.55 122.94 2k4w n ASP 75 Ca -0.08 -3.54 -0.08 0.00 -0.01 0.00 0.00 54.79 51.07 2k4w n ASP 75 Cb 0.56 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2k4w h PRO 76 N 3.63 -0.42 -3.64 0.11 0.13 -1.93 -3.46 132.00 126.42 2k4w h PRO 76 Ca 0.17 0.03 -0.37 0.00 -0.87 0.00 0.00 66.00 64.96 2k4w h PRO 76 Cb 0.60 0.10 -0.36 0.00 0.13 0.00 0.00 31.00 31.46 2k4w h PRO 76 CO 0.82 -0.21 -0.75 1.14 -0.23 0.00 0.00 178.00 178.77 2k4w s GLN 77 N -3.18 0.30 0.00 0.86 -2.07 -1.26 -5.03 119.66 109.27 2k4w s GLN 77 Ca -0.08 0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.60 2k4w s GLN 77 Cb 0.01 -0.59 0.00 0.00 -1.09 0.00 0.00 33.01 31.34 2k4w s GLN 77 CO 0.26 -0.21 0.00 0.27 -1.32 0.00 0.00 175.29 174.30 2k4w n ASN 78 N 4.56 0.00 0.00 12.60 0.23 -1.26 -4.92 115.26 126.47 2k4w n ASN 78 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 2k4w n ASN 78 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -4.99 114.28 119.22 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 1.60 3.59 1.09 0.00 -1.26 -5.11 105.19 105.11 2k4w n GLY 80 Ca 0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2k4w n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4w n LYS 81 N 0.00 1.21 -3.70 1.61 4.81 -1.26 -4.98 118.16 115.84 2k4w n LYS 81 Ca 0.00 0.44 -0.33 0.00 -0.87 0.00 0.00 58.31 57.55 2k4w n LYS 81 Cb 0.00 -1.99 -0.05 0.00 0.02 0.00 0.00 35.03 33.01 2k4w n LYS 81 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2k4w s HIS 82 N -1.33 3.52 0.16 5.64 5.65 -1.26 -3.99 115.29 123.68 2k4w s HIS 82 Ca 0.65 0.57 -0.31 0.00 0.25 0.00 0.00 55.06 56.21 2k4w s HIS 82 Cb -0.55 -2.00 -0.09 0.00 -1.18 0.00 0.00 32.58 28.77 2k4w s HIS 82 CO 0.56 0.51 1.40 -2.00 -0.65 0.00 0.00 174.74 174.56 2k4w s GLU 83 N -2.30 4.31 0.00 2.88 2.56 -1.26 -4.25 118.70 120.65 2k4w s GLU 83 Ca 0.36 2.14 0.00 0.00 0.00 0.00 0.00 54.97 57.46 2k4w s GLU 83 Cb -0.13 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 32.80 2k4w s GLU 83 CO 0.22 -0.42 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 2k4w n GLY 84 N 3.12 1.69 0.23 -1.50 0.00 -1.26 -4.93 105.19 102.53 2k4w n GLY 84 Ca 0.10 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.74 1.61 0.13 -1.91 -3.46 132.00 126.64 2k4w h PRO 85 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 2k4w h PRO 85 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2k4w h PRO 85 CO 0.00 0.00 0.39 -1.83 -0.23 0.00 0.00 178.00 176.33 2k4w s GLU 86 N -3.46 0.73 2.45 0.86 -1.05 -1.26 -5.12 118.70 111.84 2k4w s GLU 86 Ca 0.04 0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.22 2k4w s GLU 86 Cb 0.08 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2k4w s GLU 86 CO 0.56 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.99 2k4w n GLY 87 N 1.30 0.68 3.50 -3.83 0.00 -1.26 -5.01 105.19 100.57 2k4w n GLY 87 Ca -0.13 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 0.88 0.00 1.61 2.00 -1.26 -4.93 119.66 117.96 2k4w s GLN 88 Ca 0.00 -0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.13 2k4w s GLN 88 Cb 0.00 0.41 0.00 0.00 0.80 0.00 0.00 33.01 34.22 2k4w s GLN 88 CO 0.00 -0.37 0.00 0.41 -0.50 0.00 0.00 175.29 174.83 2k4w n GLY 89 N -0.05 2.59 3.84 2.59 0.00 -1.26 -4.43 105.19 108.48 2k4w n GLY 89 Ca -0.11 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 1.40 3.59 -0.92 1.61 3.76 -1.26 -4.74 115.29 118.74 2k4w s HIS 90 Ca 0.00 1.11 0.27 0.00 -0.15 0.00 0.00 55.06 56.29 2k4w s HIS 90 Cb 0.00 -2.41 0.88 0.00 1.11 0.00 0.00 32.58 32.16 2k4w s HIS 90 CO 0.00 0.39 1.70 1.47 -0.85 0.00 0.00 174.74 177.45 2k4w n LEU 91 N 0.68 0.34 -1.62 0.89 -0.00 -0.91 -3.93 117.00 112.45 2k4w n LEU 91 Ca -0.04 0.35 -0.12 0.00 -0.00 0.00 0.00 56.01 56.20 2k4w n LEU 91 Cb 0.52 -0.37 0.07 0.00 -0.00 0.00 0.00 43.42 43.64 2k4w n LEU 91 CO 0.43 -0.00 0.93 0.61 -0.00 0.00 0.00 177.39 179.36 2k4w n GLY 92 N 1.45 3.32 3.34 1.47 0.00 -1.12 -4.91 105.19 108.74 2k4w n GLY 92 Ca 0.06 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 0.03 3.72 0.06 1.61 1.01 -1.25 -0.71 116.67 121.13 2k4w s ASP 93 Ca 0.26 -0.38 -0.04 0.00 0.71 0.00 0.00 52.55 53.11 2k4w s ASP 93 Cb 0.22 -1.41 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 2k4w s ASP 93 CO 0.04 0.19 0.04 -0.76 0.21 0.00 0.00 175.17 174.89 2k4w s LEU 94 N 0.17 2.12 0.56 1.23 1.02 -0.53 -4.95 118.68 118.31 2k4w s LEU 94 Ca -0.10 -0.86 -0.18 0.00 0.02 0.00 0.00 54.13 53.02 2k4w s LEU 94 Cb -0.16 0.47 -0.05 0.00 0.02 0.00 0.00 46.19 46.48 2k4w s LEU 94 CO 0.06 -0.63 1.09 -2.16 0.02 0.00 0.00 176.35 174.73 2k4w s PRO 95 N -3.77 3.36 0.14 1.29 0.04 -1.26 -3.78 135.00 131.02 2k4w s PRO 95 Ca 0.05 1.41 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 2k4w s PRO 95 Cb 0.06 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 2k4w s PRO 95 CO -0.10 -0.81 1.40 0.08 0.04 0.00 0.00 177.00 177.62 2k4w s VAL 96 N -2.08 3.16 -1.00 -0.36 1.01 -1.26 -4.27 120.40 115.59 2k4w s VAL 96 Ca 0.68 0.86 -0.23 0.00 0.00 0.00 0.00 61.98 63.29 2k4w s VAL 96 Cb -0.19 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2k4w s VAL 96 CO 0.30 0.08 1.74 -0.22 0.00 0.00 0.00 175.10 177.00 2k4w s LEU 97 N 0.84 3.33 0.27 3.92 1.98 0.15 -4.80 118.68 124.36 2k4w s LEU 97 Ca 0.64 -1.18 -0.30 0.00 -2.89 0.00 0.00 54.13 50.40 2k4w s LEU 97 Cb -0.38 -2.57 -0.10 0.00 0.66 0.00 0.00 46.19 43.80 2k4w s LEU 97 CO 0.32 -2.20 1.41 -0.69 -1.89 0.00 0.00 176.35 173.30 2k4w s VAL 98 N 7.84 2.68 -0.03 1.68 1.01 -1.26 -1.17 120.40 131.14 2k4w s VAL 98 Ca 0.60 0.59 0.07 0.00 0.00 0.00 0.00 61.98 63.24 2k4w s VAL 98 Cb -0.03 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2k4w s VAL 98 CO -0.02 0.10 -0.23 -0.69 0.00 0.00 0.00 175.10 174.26 2k4w s VAL 99 N -0.24 1.86 0.74 2.92 1.01 0.20 -4.57 120.40 122.32 2k4w s VAL 99 Ca 0.57 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2k4w s VAL 99 Cb -0.41 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2k4w s VAL 99 CO 0.45 0.52 1.07 0.54 0.00 0.00 0.00 175.10 177.69 2k4w s ASN 100 N -0.46 5.00 0.61 3.32 2.20 -0.31 -4.18 114.94 121.13 2k4w s ASN 100 Ca 0.06 1.57 0.22 0.00 -0.94 0.00 0.00 52.86 53.77 2k4w s ASN 100 Cb -0.10 -2.38 1.20 0.00 -2.00 0.00 0.00 41.25 37.97 2k4w s ASN 100 CO -0.00 -1.68 1.66 -0.55 -2.94 0.00 0.00 177.10 173.59 2k4w h ASN 101 N -0.88 0.00 -0.12 3.54 -0.00 -1.89 -0.22 115.58 116.01 2k4w h ASN 101 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.85 2k4w h ASN 101 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 2k4w h ASN 101 CO 0.57 0.00 0.00 -0.67 -0.00 0.00 0.00 177.43 177.33 2k4w n ASP 102 N -2.68 2.37 0.00 6.14 2.03 -1.26 -4.80 116.55 118.34 2k4w n ASP 102 Ca -0.01 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.50 2k4w n ASP 102 Cb 0.48 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 1.28 0.71 3.16 0.27 0.00 -0.09 -4.82 105.19 105.70 2k4w n GLY 103 Ca 0.17 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 1.69 -0.07 -0.61 1.01 -1.24 -0.87 121.20 119.11 2k4w s ILE 104 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2k4w s ILE 104 Cb 0.00 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2k4w s ILE 104 CO 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 174.94 175.36 2k4w s ALA 105 N 0.29 3.02 0.00 9.38 0.00 0.04 -1.17 121.76 133.33 2k4w s ALA 105 Ca -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2k4w s ALA 105 Cb -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2k4w s ALA 105 CO 0.06 0.58 0.00 -2.37 0.00 0.00 0.00 175.76 174.02 2k4w n THR 106 N 2.18 0.00 -1.56 0.00 5.66 -1.26 -2.84 114.28 116.47 2k4w n THR 106 Ca -0.18 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.36 2k4w n THR 106 Cb 0.53 1.63 -0.05 0.00 -1.55 0.00 0.00 70.33 70.90 2k4w n THR 106 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k4w n GLU 107 N 0.00 1.74 -2.12 1.09 -0.58 -1.26 -4.25 120.64 115.26 2k4w n GLU 107 Ca 0.00 0.51 -0.40 0.00 -0.42 0.00 0.00 57.16 56.86 2k4w n GLU 107 Cb 0.18 -2.89 -0.03 0.00 -0.57 0.00 0.00 31.44 28.13 2k4w n GLU 107 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2k4w s PRO 108 N 5.93 2.84 0.48 3.49 0.04 -1.26 -4.22 135.00 142.30 2k4w s PRO 108 Ca 1.02 0.62 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2k4w s PRO 108 Cb -0.56 -4.31 -0.01 0.00 0.04 0.00 0.00 34.50 29.65 2k4w s PRO 108 CO 0.42 -2.48 0.06 0.14 0.04 0.00 0.00 177.00 175.18 2k4w s VAL 109 N 8.16 0.88 -0.07 -0.36 -7.23 -0.43 -5.00 120.40 116.35 2k4w s VAL 109 Ca 0.64 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.72 2k4w s VAL 109 Cb -0.13 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.65 2k4w s VAL 109 CO 0.22 0.00 0.24 -0.89 -0.31 0.00 0.00 175.10 174.36 2k4w s THR 110 N -3.01 0.02 -0.35 5.32 2.01 -1.26 -0.36 115.64 118.01 2k4w s THR 110 Ca 0.11 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2k4w s THR 110 Cb 0.01 -0.39 0.06 0.00 0.01 0.00 0.00 72.50 72.19 2k4w s THR 110 CO 0.07 -0.08 0.11 0.00 -0.69 0.00 0.00 174.62 174.03 2k4w s ALA 111 N -0.24 3.02 -2.00 7.40 0.00 -0.03 -4.89 121.76 125.02 2k4w s ALA 111 Ca -0.04 -1.99 0.05 0.00 0.00 0.00 0.00 51.96 49.99 2k4w s ALA 111 Cb -0.03 -2.23 0.31 0.00 0.00 0.00 0.00 23.12 21.17 2k4w s ALA 111 CO 0.01 -1.46 0.88 -0.35 0.00 0.00 0.00 175.76 174.83 2k4w n PRO 112 N 4.71 0.63 0.22 0.00 -0.04 -1.21 -1.93 135.00 137.37 2k4w n PRO 112 Ca -0.10 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.51 2k4w n PRO 112 Cb 0.43 -1.13 0.62 0.00 -0.04 0.00 0.00 33.50 33.39 2k4w n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4w h ARG 113 N 0.00 0.00 -3.13 0.54 2.47 -1.92 -3.45 114.38 108.88 2k4w h ARG 113 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2k4w h ARG 113 Cb 0.00 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.16 2k4w h ARG 113 CO 0.00 0.00 -0.12 -0.51 0.56 0.00 0.00 179.97 179.90 2k4w s LEU 114 N -5.54 0.47 -0.31 3.04 1.02 -1.25 -5.03 118.68 111.08 2k4w s LEU 114 Ca 0.02 -0.09 0.17 0.00 0.02 0.00 0.00 54.13 54.26 2k4w s LEU 114 Cb 0.09 1.71 0.46 0.00 0.02 0.00 0.00 46.19 48.47 2k4w s LEU 114 CO 0.48 -0.69 1.23 2.29 0.02 0.00 0.00 176.35 179.68 2k4w n LYS 115 N 0.37 1.45 -3.63 1.70 0.00 -1.26 -2.40 118.16 114.39 2k4w n LYS 115 Ca -0.18 -2.63 -0.04 0.00 -0.00 0.00 0.00 58.31 55.46 2k4w n LYS 115 Cb 0.60 -0.79 -0.05 0.00 -0.00 0.00 0.00 35.03 34.80 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 -2.62 -0.14 0.53 -5.58 0.01 -1.26 -4.80 113.70 99.85 2k4w s SER 116 Ca 0.22 0.18 0.20 0.00 1.31 0.00 0.00 55.95 57.86 2k4w s SER 116 Cb 0.39 0.16 1.40 0.00 0.21 0.00 0.00 66.02 68.18 2k4w s SER 116 CO -0.05 -0.10 2.15 -0.07 0.41 0.00 0.00 173.24 175.58 2k4w h LEU 117 N 2.52 0.00 -2.38 2.44 -0.00 -1.98 -1.60 115.31 114.31 2k4w h LEU 117 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2k4w h LEU 117 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2k4w h LEU 117 CO 0.22 0.03 0.14 0.44 -0.00 0.00 0.00 178.44 179.27 2k4w h ASP 118 N 0.00 0.00 0.61 -0.43 3.32 -1.99 0.02 116.42 117.94 2k4w h ASP 118 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k4w h ASP 118 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2k4w h ASP 118 CO 0.00 0.00 -0.19 -0.62 -1.72 0.00 0.00 179.24 176.72 2k4w n GLU 119 N -2.88 0.27 0.00 3.56 1.02 -0.60 -4.24 120.64 117.78 2k4w n GLU 119 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2k4w n GLU 119 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.28 0.03 0.61 2.62 0.24 -0.07 -4.91 118.33 115.58 2k4w n VAL 120 Ca 0.09 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2k4w n VAL 120 Cb 0.31 1.50 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 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 -0.02 0.61 -0.29 7.34 2.85 -0.83 -2.20 118.16 125.62 2k4w n LYS 121 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2k4w n LYS 121 Cb 0.16 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 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 0.21 0.00 -4.25 -5.58 2.03 -1.26 -4.89 116.55 102.80 2k4w n ASP 122 Ca 0.00 -1.51 -0.25 0.00 0.52 0.00 0.00 54.79 53.55 2k4w n ASP 122 Cb 0.16 -0.10 -0.09 0.00 -0.72 0.00 0.00 41.12 40.37 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 1.87 0.10 -0.67 -0.14 -0.94 -2.97 119.74 117.00 2k4w s LYS 123 Ca 0.00 -2.12 0.09 0.00 -1.36 0.00 0.00 55.97 52.58 2k4w s LYS 123 Cb 0.00 -0.73 -0.04 0.00 -1.68 0.00 0.00 37.83 35.38 2k4w s LYS 123 CO 0.00 -0.39 -0.18 0.00 -0.76 0.00 0.00 175.35 174.02 2k4w s ALA 124 N -3.22 2.68 0.49 5.17 0.00 -0.90 -1.39 121.76 124.59 2k4w s ALA 124 Ca 0.26 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 2k4w s ALA 124 Cb 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 2k4w s ALA 124 CO 0.14 0.59 0.91 -0.51 0.00 0.00 0.00 175.76 176.90 2k4w s LEU 125 N -2.02 3.65 -0.16 0.00 1.43 0.13 -1.16 118.68 120.55 2k4w s LEU 125 Ca 0.17 1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.60 2k4w s LEU 125 Cb -0.11 -4.33 0.07 0.00 0.03 0.00 0.00 46.19 41.86 2k4w s LEU 125 CO 0.09 -0.56 0.34 -0.32 0.23 0.00 0.00 176.35 176.13 2k4w s MET 126 N -4.14 0.26 -0.44 1.70 1.75 -0.13 -1.79 119.30 116.50 2k4w s MET 126 Ca 0.56 0.83 -0.19 0.00 -1.25 0.00 0.00 55.69 55.64 2k4w s MET 126 Cb -0.10 0.09 0.03 0.00 2.84 0.00 0.00 34.83 37.68 2k4w s MET 126 CO 0.34 -0.24 0.55 0.42 -0.65 0.00 0.00 175.02 175.45 2k4w s ILE 127 N 2.18 4.95 0.18 10.11 1.01 0.20 -1.47 121.20 138.35 2k4w s ILE 127 Ca -0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 2k4w s ILE 127 Cb -0.11 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 2k4w s ILE 127 CO -0.11 -0.56 0.52 -1.00 0.00 0.00 0.00 174.94 173.79 2k4w s HIS 128 N 2.49 3.50 0.19 3.97 3.76 0.36 -0.82 115.29 128.74 2k4w s HIS 128 Ca 0.17 0.90 -0.07 0.00 -0.15 0.00 0.00 55.06 55.91 2k4w s HIS 128 Cb -0.16 -2.26 0.11 0.00 1.11 0.00 0.00 32.58 31.38 2k4w s HIS 128 CO 0.16 0.36 1.60 0.28 -0.85 0.00 0.00 174.74 176.28 2k4w h VAL 129 N 2.35 1.27 -2.58 -0.90 2.07 -0.81 -2.88 116.25 114.76 2k4w h VAL 129 Ca -0.48 -1.35 -0.55 0.00 0.82 0.00 0.00 66.70 65.14 2k4w h VAL 129 Cb 1.18 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 2k4w h VAL 129 CO 0.68 0.46 -0.54 -0.83 0.02 0.00 0.00 177.57 177.36 2k4w s GLY 130 N -3.79 1.64 1.02 2.17 0.00 -1.25 -4.73 107.32 102.38 2k4w s GLY 130 Ca -0.10 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.29 2k4w s GLY 130 CO 0.85 -1.23 1.08 -0.32 0.00 0.00 0.00 173.10 173.48 2k4w s GLY 131 N -3.28 1.60 -0.14 0.20 0.00 -1.26 -0.78 107.32 103.68 2k4w s GLY 131 Ca 0.32 0.08 0.15 0.00 0.00 0.00 0.00 44.72 45.27 2k4w s GLY 131 CO 0.25 0.65 1.16 1.34 0.00 0.00 0.00 173.10 176.49 2k4w n ASP 132 N -4.42 1.89 -0.78 1.64 2.03 -1.26 -4.76 116.55 110.89 2k4w n ASP 132 Ca 0.07 -3.20 0.11 0.00 0.52 0.00 0.00 54.79 52.29 2k4w n ASP 132 Cb 0.54 -0.43 0.31 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.13 2.35 -4.16 1.67 6.94 -1.26 -4.88 115.26 114.79 2k4w n ASN 133 Ca 0.15 -1.82 -0.17 0.00 -0.02 0.00 0.00 54.58 52.72 2k4w n ASN 133 Cb 0.68 -0.15 -0.12 0.00 -2.36 0.00 0.00 39.78 37.84 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2k4w s MET 134 N -1.71 0.79 0.00 -3.83 -1.94 -1.26 -4.55 119.30 106.80 2k4w s MET 134 Ca 0.34 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2k4w s MET 134 Cb 0.19 -0.69 0.00 0.00 2.01 0.00 0.00 34.83 36.34 2k4w s MET 134 CO 0.28 0.14 0.55 -1.13 -0.01 0.00 0.00 175.02 174.86 2k4w n SER 135 N 1.13 0.00 -0.14 3.03 3.41 -1.26 -1.31 113.62 118.47 2k4w n SER 135 Ca -0.20 -1.11 0.05 0.00 -0.26 0.00 0.00 58.87 57.35 2k4w n SER 135 Cb 0.55 -0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 2k4w n SER 135 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k4w n ASP 136 N 0.00 2.35 -4.49 4.04 9.92 -1.26 -4.84 116.55 122.26 2k4w n ASP 136 Ca 0.00 -2.51 -0.24 0.00 -0.53 0.00 0.00 54.79 51.51 2k4w n ASP 136 Cb 0.52 -0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 40.67 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2k4w s GLN 137 N -1.88 1.71 0.01 -1.24 1.11 -1.26 -5.04 119.66 113.06 2k4w s GLN 137 Ca 0.18 -1.84 0.03 0.00 0.01 0.00 0.00 55.36 53.74 2k4w s GLN 137 Cb 0.15 -1.60 0.15 0.00 -1.01 0.00 0.00 33.01 30.69 2k4w s GLN 137 CO 0.03 0.18 1.11 -0.35 0.01 0.00 0.00 175.29 176.27 2k4w n PRO 138 N -0.68 0.00 -4.30 2.91 -0.04 -1.26 -4.29 135.00 127.34 2k4w n PRO 138 Ca -0.05 0.45 -0.20 0.00 -0.04 0.00 0.00 63.50 63.66 2k4w n PRO 138 Cb 0.62 -1.51 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 2k4w n PRO 138 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k4w s LYS 139 N -3.01 0.93 0.87 0.54 1.02 -1.26 -5.12 119.74 113.71 2k4w s LYS 139 Ca 0.01 -0.22 -0.12 0.00 0.02 0.00 0.00 55.97 55.67 2k4w s LYS 139 Cb 0.02 -0.88 0.11 0.00 -0.52 0.00 0.00 37.83 36.56 2k4w s LYS 139 CO 0.06 0.02 1.10 -1.25 -0.92 0.00 0.00 175.35 174.36 2k4w s PRO 140 N 0.51 1.50 -1.99 -1.68 0.04 -1.26 -2.83 135.00 129.29 2k4w s PRO 140 Ca -0.08 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2k4w s PRO 140 Cb -0.11 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2k4w s PRO 140 CO 0.01 -2.04 0.00 1.28 0.04 0.00 0.00 177.00 176.29 2k4w n LEU 141 N -3.72 -1.76 -0.43 -3.56 7.99 -0.43 -1.45 117.00 113.64 2k4w n LEU 141 Ca 0.07 0.22 -0.06 0.00 -0.01 0.00 0.00 56.01 56.24 2k4w n LEU 141 Cb 0.56 -2.92 -0.02 0.00 -0.11 0.00 0.00 43.42 40.93 2k4w n LEU 141 CO 0.56 -0.62 -0.05 0.61 -1.51 0.00 0.00 177.39 176.38 2k4w n GLY 142 N -0.73 0.66 0.00 -0.72 0.00 -1.24 -1.15 105.19 102.01 2k4w n GLY 142 Ca -0.23 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.49 0.50 0.60 -0.02 0.00 -0.53 -5.01 105.19 100.25 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 -1.39 0.90 0.10 -0.02 0.00 -0.30 -4.11 105.19 100.38 2k4w n GLY 144 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.32 -1.30 3.78 -0.02 0.00 -1.26 -3.79 105.19 102.94 2k4w n GLY 145 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.23 3.20 -0.04 2.61 -4.23 -1.26 -4.92 115.64 107.76 2k4w s THR 146 Ca 0.06 0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 60.87 2k4w s THR 146 Cb 0.10 -3.05 0.02 0.00 1.34 0.00 0.00 72.50 70.91 2k4w s THR 146 CO 0.40 -0.51 0.21 0.00 -0.54 0.00 0.00 174.62 174.19 2k4w s ARG 147 N -5.06 0.41 -0.10 3.99 3.03 -1.26 -0.36 118.95 119.60 2k4w s ARG 147 Ca 0.61 -0.01 0.06 0.00 2.03 0.00 0.00 55.73 58.42 2k4w s ARG 147 Cb -0.15 0.18 -0.24 0.00 -1.03 0.00 0.00 34.95 33.71 2k4w s ARG 147 CO 0.55 -0.09 0.43 0.98 -1.13 0.00 0.00 175.30 176.04 2k4w n TYR 148 N 2.17 0.89 -3.90 5.89 9.36 -0.00 -4.79 117.16 126.78 2k4w n TYR 148 Ca -0.18 0.26 -0.10 0.00 3.32 0.00 0.00 57.90 61.21 2k4w n TYR 148 Cb 0.57 -1.14 -0.09 0.00 -0.63 0.00 0.00 39.34 38.05 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 -2.57 -0.18 0.04 2.98 0.00 -1.19 -1.21 121.76 119.63 2k4w s ALA 149 Ca -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2k4w s ALA 149 Cb 0.07 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 2k4w s ALA 149 CO 0.79 -0.33 -0.04 0.00 0.00 0.00 0.00 175.76 176.18 2k4w s GLY 151 N -2.03 -0.70 0.11 0.00 0.00 -0.74 -1.00 107.32 102.96 2k4w s GLY 151 Ca -0.06 1.76 -0.31 0.00 0.00 0.00 0.00 44.72 46.11 2k4w s GLY 151 CO -0.04 2.99 1.31 0.14 0.00 0.00 0.00 173.10 177.50 2k4w s VAL 152 N 2.77 3.53 0.10 1.40 1.01 -1.26 -0.69 120.40 127.26 2k4w s VAL 152 Ca 0.08 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 2k4w s VAL 152 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 2k4w s VAL 152 CO -0.18 0.10 1.09 -0.63 0.00 0.00 0.00 175.10 175.49 2k4w s ILE 153 N 0.92 4.17 0.00 2.22 1.09 -0.48 -4.71 121.20 124.41 2k4w s ILE 153 Ca 0.61 1.70 0.00 0.00 -1.10 0.00 0.00 60.65 61.86 2k4w s ILE 153 Cb -0.34 -4.08 0.00 0.00 -1.06 0.00 0.00 42.46 36.97 2k4w s ILE 153 CO 0.31 0.21 0.09 0.29 -0.10 0.00 0.00 174.94 175.74