#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 0.70 -0.30 0.00 0.01 -1.26 -0.93 113.70 111.92 2k4w s SER 2 Ca 0.00 -0.93 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 2k4w s SER 2 Cb 0.00 0.15 0.15 0.00 0.21 0.00 0.00 66.02 66.53 2k4w s SER 2 CO 0.00 -0.50 0.65 -0.70 0.41 0.00 0.00 173.24 173.09 2k4w s GLU 3 N -3.52 0.56 0.11 12.44 2.56 0.50 -4.99 118.70 126.36 2k4w s GLU 3 Ca 0.05 1.28 -0.15 0.00 0.00 0.00 0.00 54.97 56.15 2k4w s GLU 3 Cb 0.04 0.76 -0.07 0.00 2.00 0.00 0.00 34.13 36.86 2k4w s GLU 3 CO -0.07 -0.33 0.53 -1.59 -0.56 0.00 0.00 175.26 173.24 2k4w s LYS 4 N 2.88 4.02 -0.44 4.30 -2.85 -1.26 -0.77 119.74 125.62 2k4w s LYS 4 Ca 0.03 0.54 0.02 0.00 -1.00 0.00 0.00 55.97 55.56 2k4w s LYS 4 Cb -0.13 -3.04 0.15 0.00 -2.06 0.00 0.00 37.83 32.75 2k4w s LYS 4 CO -0.20 0.55 0.29 0.08 0.10 0.00 0.00 175.35 176.17 2k4w s VAL 5 N -1.33 0.89 -0.30 1.79 1.01 0.18 -4.90 120.40 117.74 2k4w s VAL 5 Ca 0.34 -2.56 -0.27 0.00 0.00 0.00 0.00 61.98 59.48 2k4w s VAL 5 Cb -0.16 -1.62 -0.12 0.00 0.00 0.00 0.00 36.38 34.48 2k4w s VAL 5 CO 0.18 -1.04 1.14 0.61 0.00 0.00 0.00 175.10 175.99 2k4w n GLY 6 N 3.27 0.00 3.86 4.51 0.00 -1.26 -1.67 105.19 113.90 2k4w n GLY 6 Ca 0.18 0.65 -0.32 0.00 0.00 0.00 0.00 46.02 46.53 2k4w n GLY 6 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k4w s MET 7 N 2.80 3.26 0.08 1.61 -1.94 -0.01 -4.41 119.30 120.69 2k4w s MET 7 Ca 0.68 -0.48 0.07 0.00 -1.71 0.00 0.00 55.69 54.25 2k4w s MET 7 Cb -0.91 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.94 2k4w s MET 7 CO 0.44 0.62 -0.11 -0.80 -0.01 0.00 0.00 175.02 175.16 2k4w s ASN 8 N -2.23 4.32 0.30 3.03 -0.87 -0.04 -3.08 114.94 116.37 2k4w s ASN 8 Ca 0.30 -0.36 -0.30 0.00 -1.57 0.00 0.00 52.86 50.93 2k4w s ASN 8 Cb -0.13 -0.83 -0.11 0.00 -0.02 0.00 0.00 41.25 40.16 2k4w s ASN 8 CO 0.22 0.20 1.56 -0.76 -2.57 0.00 0.00 177.10 175.75 2k4w s LEU 9 N -1.98 4.35 0.03 0.60 1.43 0.23 -0.97 118.68 122.37 2k4w s LEU 9 Ca 0.20 2.93 0.06 0.00 -1.03 0.00 0.00 54.13 56.28 2k4w s LEU 9 Cb -0.11 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2k4w s LEU 9 CO 0.11 -0.88 -0.17 0.68 0.23 0.00 0.00 176.35 176.33 2k4w s VAL 10 N -0.19 1.35 -0.34 -1.59 -7.23 -1.21 -0.99 120.40 110.20 2k4w s VAL 10 Ca 0.61 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.74 2k4w s VAL 10 Cb -0.47 -1.18 0.19 0.00 0.56 0.00 0.00 36.38 35.48 2k4w s VAL 10 CO 0.50 0.17 0.94 0.28 -0.31 0.00 0.00 175.10 176.68 2k4w s THR 11 N -0.71 -0.42 0.00 5.32 -1.32 -1.23 -4.79 115.64 112.50 2k4w s THR 11 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2k4w s THR 11 Cb -0.08 -0.08 0.00 0.00 -1.51 0.00 0.00 72.50 70.84 2k4w s THR 11 CO 0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.42 2k4w n ALA 12 N 4.12 0.00 1.65 11.08 0.00 -1.26 -4.40 120.51 131.71 2k4w n ALA 12 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2k4w n ALA 12 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 2k4w n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n GLN 13 N 0.00 1.09 0.00 0.00 -0.00 -1.26 -4.24 117.38 112.97 2k4w n GLN 13 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.00 56.89 2k4w n GLN 13 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 30.24 29.08 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 0.41 -0.53 3.48 2.61 0.00 -1.25 -4.84 105.19 105.07 2k4w n GLY 14 Ca 0.01 -1.14 -0.49 0.00 0.00 0.00 0.00 46.02 44.40 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 0.23 0.00 1.61 0.31 -1.25 -3.53 118.33 115.70 2k4w n VAL 15 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2k4w n VAL 15 Cb 0.00 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 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 6.33 -0.40 3.51 2.92 0.00 -0.16 -5.02 105.19 112.37 2k4w n GLY 16 Ca 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.77 0.97 0.10 1.61 1.03 -1.23 -4.98 119.66 116.38 2k4w s GLN 17 Ca 0.00 0.01 -0.11 0.00 0.04 0.00 0.00 55.36 55.30 2k4w s GLN 17 Cb 0.00 0.45 -0.06 0.00 0.03 0.00 0.00 33.01 33.43 2k4w s GLN 17 CO 0.00 -0.35 0.45 0.45 -2.54 0.00 0.00 175.29 173.30 2k4w s SER 18 N -1.67 6.69 0.00 12.60 0.15 -1.26 -0.60 113.70 129.61 2k4w s SER 18 Ca -0.04 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2k4w s SER 18 Cb -0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2k4w s SER 18 CO 0.01 0.15 0.32 2.30 1.20 0.00 0.00 173.24 177.22 2k4w n ILE 19 N 0.84 0.04 0.00 6.45 -0.00 -1.18 -4.94 119.36 120.58 2k4w n ILE 19 Ca -0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 2k4w n ILE 19 Cb 0.52 1.37 0.00 0.00 -0.00 0.00 0.00 39.64 41.53 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k4w n GLY 20 N -0.02 1.38 3.56 3.28 0.00 -1.26 -2.64 105.19 109.50 2k4w n GLY 20 Ca 0.00 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 2k4w n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4w s THR 21 N -1.66 3.08 -0.14 2.61 2.01 -1.26 -0.83 115.64 119.45 2k4w s THR 21 Ca 0.00 -1.86 -0.04 0.00 0.31 0.00 0.00 61.69 60.10 2k4w s THR 21 Cb 0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2k4w s THR 21 CO 0.00 -0.21 0.01 -0.69 -0.69 0.00 0.00 174.62 173.04 2k4w s VAL 22 N -1.96 4.34 -0.13 3.82 1.01 -0.67 -2.16 120.40 124.66 2k4w s VAL 22 Ca 0.27 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2k4w s VAL 22 Cb -0.08 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2k4w s VAL 22 CO 0.16 0.52 0.49 0.54 0.00 0.00 0.00 175.10 176.81 2k4w s VAL 23 N -0.07 5.17 -0.20 2.92 0.11 -0.06 -0.65 120.40 127.62 2k4w s VAL 23 Ca 0.04 0.97 -0.10 0.00 -2.93 0.00 0.00 61.98 59.97 2k4w s VAL 23 Cb -0.13 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.85 2k4w s VAL 23 CO 0.02 0.30 0.12 -0.63 -3.33 0.00 0.00 175.10 171.58 2k4w s ILE 24 N 0.80 5.34 -0.07 7.04 1.01 0.05 -0.68 121.20 134.69 2k4w s ILE 24 Ca 0.26 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 61.07 2k4w s ILE 24 Cb -0.15 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2k4w s ILE 24 CO 0.10 0.44 -0.04 -0.62 0.00 0.00 0.00 174.94 174.82 2k4w s ASP 25 N 0.38 1.56 0.60 3.58 2.15 -0.60 -0.37 116.67 123.97 2k4w s ASP 25 Ca 0.07 -0.17 -0.13 0.00 0.43 0.00 0.00 52.55 52.76 2k4w s ASP 25 Cb -0.11 -0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 41.90 2k4w s ASP 25 CO -0.02 -0.12 1.03 -1.83 -0.17 0.00 0.00 175.17 174.06 2k4w s GLU 26 N 1.50 3.55 0.37 4.34 4.04 -0.10 -0.53 118.70 131.87 2k4w s GLU 26 Ca -0.01 0.89 -0.12 0.00 0.04 0.00 0.00 54.97 55.77 2k4w s GLU 26 Cb -0.13 -2.07 0.04 0.00 0.02 0.00 0.00 34.13 31.98 2k4w s GLU 26 CO -0.04 -0.61 0.69 -0.08 -1.84 0.00 0.00 175.26 173.39 2k4w s THR 27 N -2.94 0.00 -0.50 1.83 -1.32 -0.77 -3.50 115.64 108.44 2k4w s THR 27 Ca 0.57 -1.18 0.18 0.00 -1.21 0.00 0.00 61.69 60.05 2k4w s THR 27 Cb -0.12 -2.79 0.18 0.00 -1.51 0.00 0.00 72.50 68.26 2k4w s THR 27 CO 0.46 0.00 1.54 1.21 -2.21 0.00 0.00 174.62 175.62 2k4w n GLU 28 N -0.54 0.12 -0.28 7.08 2.13 -1.26 -0.24 120.64 127.65 2k4w n GLU 28 Ca -0.05 0.51 0.10 0.00 0.66 0.00 0.00 57.16 58.38 2k4w n GLU 28 Cb 0.60 -1.81 0.25 0.00 0.27 0.00 0.00 31.44 30.76 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 -0.84 2.33 2.91 8.31 0.00 -1.26 -5.07 105.19 111.57 2k4w n GLY 29 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.31 -1.78 3.59 -0.02 0.00 0.67 -3.77 105.19 105.19 2k4w n GLY 30 Ca 0.20 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 3.46 -0.46 0.99 1.43 -0.69 -1.84 118.68 121.57 2k4w s LEU 31 Ca 0.00 1.26 -0.25 0.00 -1.03 0.00 0.00 54.13 54.11 2k4w s LEU 31 Cb 0.00 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.92 2k4w s LEU 31 CO 0.00 -1.90 0.89 -0.75 0.23 0.00 0.00 176.35 174.82 2k4w s LYS 32 N 6.10 3.49 -0.38 1.70 2.20 0.31 -0.94 119.74 132.21 2k4w s LYS 32 Ca 0.82 0.07 -0.18 0.00 -0.36 0.00 0.00 55.97 56.32 2k4w s LYS 32 Cb -0.22 -3.94 0.01 0.00 -1.51 0.00 0.00 37.83 32.17 2k4w s LYS 32 CO 0.32 -1.22 0.51 0.12 -0.36 0.00 0.00 175.35 174.72 2k4w s PHE 33 N 3.66 3.16 -0.24 4.03 5.36 0.43 -1.56 117.98 132.81 2k4w s PHE 33 Ca 0.35 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.33 2k4w s PHE 33 Cb -0.11 -2.98 0.05 0.00 -0.34 0.00 0.00 43.02 39.64 2k4w s PHE 33 CO 0.25 -0.64 -0.13 0.99 -1.46 0.00 0.00 175.22 174.23 2k4w s THR 34 N 2.39 2.13 0.30 0.12 2.01 0.15 -1.87 115.64 120.88 2k4w s THR 34 Ca 0.17 -1.47 -0.13 0.00 0.31 0.00 0.00 61.69 60.58 2k4w s THR 34 Cb -0.16 -2.17 -0.08 0.00 0.01 0.00 0.00 72.50 70.10 2k4w s THR 34 CO 0.14 0.10 0.68 -2.16 -0.69 0.00 0.00 174.62 172.69 2k4w s PRO 35 N 1.15 3.91 -0.30 4.92 0.04 -1.26 -0.88 135.00 142.57 2k4w s PRO 35 Ca -0.06 0.51 0.18 0.00 0.04 0.00 0.00 61.00 61.67 2k4w s PRO 35 Cb -0.18 -2.50 0.46 0.00 0.04 0.00 0.00 34.50 32.32 2k4w s PRO 35 CO -0.07 0.19 1.24 -2.39 0.04 0.00 0.00 177.00 176.01 2k4w n HIS 36 N -0.40 -0.04 -3.96 0.56 1.44 -0.92 -3.99 115.22 107.91 2k4w n HIS 36 Ca 0.02 -2.08 -0.25 0.00 -2.01 0.00 0.00 57.72 53.41 2k4w n HIS 36 Cb 0.53 0.43 -0.03 0.00 0.12 0.00 0.00 29.99 31.04 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 -3.78 4.32 0.26 2.39 1.02 -1.25 -4.38 118.68 117.26 2k4w s LEU 37 Ca 0.21 0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.53 2k4w s LEU 37 Cb 0.38 -2.88 -0.06 0.00 0.02 0.00 0.00 46.19 43.66 2k4w s LEU 37 CO -0.06 0.01 0.01 -1.59 0.02 0.00 0.00 176.35 174.75 2k4w s LYS 38 N -3.46 1.45 0.00 1.70 0.00 -1.08 -0.30 119.74 118.05 2k4w s LYS 38 Ca 0.34 -1.76 0.00 0.00 0.00 0.00 0.00 55.97 54.55 2k4w s LYS 38 Cb -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 37.83 37.01 2k4w s LYS 38 CO 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 175.35 175.51 2k4w n ALA 39 N -0.51 0.00 -2.24 0.59 0.00 -0.59 -4.80 120.51 112.96 2k4w n ALA 39 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 2k4w n ALA 39 Cb 0.65 -0.41 0.02 0.00 0.00 0.00 0.00 19.45 19.70 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k4w s LEU 40 N 0.00 3.52 0.50 0.00 1.43 -0.94 -5.08 118.68 118.12 2k4w s LEU 40 Ca 0.00 0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 2k4w s LEU 40 Cb 0.00 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 2k4w s LEU 40 CO 0.00 -0.82 1.34 -2.16 0.23 0.00 0.00 176.35 174.95 2k4w s PRO 41 N -4.68 3.41 -0.10 1.29 0.04 -1.26 -4.21 135.00 129.49 2k4w s PRO 41 Ca 0.50 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.77 2k4w s PRO 41 Cb -0.10 -2.40 0.20 0.00 0.04 0.00 0.00 34.50 32.23 2k4w s PRO 41 CO 0.40 -0.97 1.07 -0.35 0.04 0.00 0.00 177.00 177.19 2k4w n PRO 42 N -0.68 1.66 0.00 0.56 -0.04 -1.26 -4.76 135.00 130.48 2k4w n PRO 42 Ca 0.08 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 2k4w n PRO 42 Cb 0.45 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.11 4.84 3.86 0.55 0.00 -1.26 -3.88 105.19 109.40 2k4w n GLY 43 Ca 0.12 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 2k4w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4w s GLU 44 N 4.69 3.68 -0.01 1.61 2.02 -1.26 -1.19 118.70 128.24 2k4w s GLU 44 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.11 2k4w s GLU 44 Cb 0.00 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.09 2k4w s GLU 44 CO 0.00 0.69 -0.04 -1.01 0.02 0.00 0.00 175.26 174.91 2k4w s HIS 45 N -1.17 0.46 0.67 1.61 3.76 -0.11 -2.46 115.29 118.05 2k4w s HIS 45 Ca 0.24 -0.09 -0.13 0.00 -0.15 0.00 0.00 55.06 54.93 2k4w s HIS 45 Cb -0.14 -0.34 -0.00 0.00 1.11 0.00 0.00 32.58 33.21 2k4w s HIS 45 CO 0.12 -0.04 1.07 0.20 -0.85 0.00 0.00 174.74 175.24 2k4w s GLY 46 N 0.13 1.90 -0.18 -2.22 0.00 0.47 0.33 107.32 107.75 2k4w s GLY 46 Ca -0.01 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 2k4w s GLY 46 CO -0.00 0.62 -0.02 -0.12 0.00 0.00 0.00 173.10 173.58 2k4w s PHE 47 N -2.71 1.49 0.31 1.90 5.36 -1.26 -0.72 117.98 122.35 2k4w s PHE 47 Ca 0.62 -1.04 0.10 0.00 -0.96 0.00 0.00 56.93 55.65 2k4w s PHE 47 Cb -0.16 -1.21 -0.05 0.00 -0.34 0.00 0.00 43.02 41.25 2k4w s PHE 47 CO 0.47 -0.62 -0.11 -1.01 -1.46 0.00 0.00 175.22 172.49 2k4w s HIS 48 N 1.70 2.41 -0.13 10.12 3.76 -1.23 -1.59 115.29 130.34 2k4w s HIS 48 Ca -0.01 -0.38 -0.05 0.00 -0.15 0.00 0.00 55.06 54.48 2k4w s HIS 48 Cb -0.16 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 2k4w s HIS 48 CO -0.07 0.63 0.03 0.42 -0.85 0.00 0.00 174.74 174.90 2k4w s ILE 49 N -2.52 4.54 0.26 0.60 1.01 -0.47 -2.85 121.20 121.77 2k4w s ILE 49 Ca 0.32 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.93 2k4w s ILE 49 Cb -0.02 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2k4w s ILE 49 CO 0.17 0.54 -0.07 -1.00 0.00 0.00 0.00 174.94 174.58 2k4w s HIS 50 N -0.29 2.58 0.32 3.97 3.76 -1.02 -4.43 115.29 120.18 2k4w s HIS 50 Ca 0.07 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 2k4w s HIS 50 Cb -0.12 -1.16 0.55 0.00 1.11 0.00 0.00 32.58 32.97 2k4w s HIS 50 CO 0.02 0.63 1.87 0.00 -0.85 0.00 0.00 174.74 176.40 2k4w h ALA 51 N 2.15 1.34 -4.31 -1.40 0.00 -1.21 -3.06 119.26 112.77 2k4w h ALA 51 Ca -0.44 -0.20 -0.67 0.00 0.00 0.00 0.00 54.91 53.60 2k4w h ALA 51 Cb 1.24 -0.17 -0.27 0.00 0.00 0.00 0.00 17.79 18.60 2k4w h ALA 51 CO 0.59 0.46 -0.87 -0.80 0.00 0.00 0.00 179.25 178.63 2k4w s ASN 52 N -6.69 3.00 -1.24 0.00 0.01 0.18 -4.39 114.94 105.80 2k4w s ASN 52 Ca -0.08 -0.55 -0.10 0.00 -0.71 0.00 0.00 52.86 51.42 2k4w s ASN 52 Cb 0.15 -0.28 -0.07 0.00 0.41 0.00 0.00 41.25 41.47 2k4w s ASN 52 CO 0.77 0.25 2.43 0.61 -1.51 0.00 0.00 177.10 179.66 2k4w n GLY 53 N 1.92 3.65 3.13 0.66 0.00 -0.63 -3.37 105.19 110.54 2k4w n GLY 53 Ca -0.17 -1.23 0.01 0.00 0.00 0.00 0.00 46.02 44.64 2k4w n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k4w s SER 54 N 3.07 -1.33 -1.12 1.61 0.15 -1.26 -4.88 113.70 109.94 2k4w s SER 54 Ca 0.54 -0.68 -0.20 0.00 0.70 0.00 0.00 55.95 56.31 2k4w s SER 54 Cb 0.14 1.70 -0.06 0.00 -1.71 0.00 0.00 66.02 66.09 2k4w s SER 54 CO -0.03 -0.15 1.96 0.00 1.20 0.00 0.00 173.24 176.22 2k4w s GLN 56 N 4.82 1.58 0.55 0.00 -1.52 -1.26 -3.91 119.66 119.92 2k4w s GLN 56 Ca 0.57 -1.04 -0.06 0.00 -1.95 0.00 0.00 55.36 52.88 2k4w s GLN 56 Cb 0.09 -1.74 -0.01 0.00 -0.22 0.00 0.00 33.01 31.12 2k4w s GLN 56 CO 0.07 0.45 0.87 -1.25 -0.25 0.00 0.00 175.29 175.17 2k4w s PRO 57 N -1.26 3.23 -0.17 2.91 0.04 -1.22 -2.04 135.00 136.49 2k4w s PRO 57 Ca 0.10 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.24 2k4w s PRO 57 Cb -0.09 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2k4w s PRO 57 CO 0.02 -0.49 -0.02 0.00 0.04 0.00 0.00 177.00 176.55 2k4w s ALA 58 N -2.91 3.04 -0.34 8.56 0.00 -0.71 -4.84 121.76 124.56 2k4w s ALA 58 Ca 0.51 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2k4w s ALA 58 Cb -0.10 -1.63 0.26 0.00 0.00 0.00 0.00 23.12 21.64 2k4w s ALA 58 CO 0.46 0.13 1.94 -0.89 0.00 0.00 0.00 175.76 177.40 2k4w n ILE 59 N 3.69 2.77 -2.05 0.00 2.08 -1.26 -0.18 119.36 124.39 2k4w n ILE 59 Ca -0.17 -1.68 -0.42 0.00 0.56 0.00 0.00 62.75 61.04 2k4w n ILE 59 Cb 0.52 -1.22 -0.03 0.00 -0.75 0.00 0.00 39.64 38.16 2k4w n ILE 59 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2k4w s LYS 60 N -2.01 4.27 -1.90 0.38 2.20 -1.08 -2.27 119.74 119.33 2k4w s LYS 60 Ca 0.34 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 2k4w s LYS 60 Cb 0.27 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2k4w s LYS 60 CO 0.00 -0.51 0.00 -3.47 -0.36 0.00 0.00 175.35 171.01 2k4w n ASP 61 N 3.85 -4.97 0.00 1.43 2.03 -1.26 -2.33 116.55 115.31 2k4w n ASP 61 Ca 0.12 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2k4w n ASP 61 Cb 0.40 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.42 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 -0.45 0.65 3.16 0.27 0.00 -0.96 -5.06 105.19 102.79 2k4w n GLY 62 Ca -0.19 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.31 1.97 -0.81 1.61 -2.07 -0.98 -5.09 119.66 113.98 2k4w s GLN 63 Ca 0.00 -0.67 -0.22 0.00 -1.82 0.00 0.00 55.36 52.66 2k4w s GLN 63 Cb 0.00 -1.69 0.09 0.00 -1.09 0.00 0.00 33.01 30.32 2k4w s GLN 63 CO 0.00 0.26 1.12 0.00 -1.32 0.00 0.00 175.29 175.34 2k4w s ALA 64 N 0.04 3.11 -0.72 2.60 0.00 -1.26 -2.64 121.76 122.90 2k4w s ALA 64 Ca -0.05 -2.18 -0.26 0.00 0.00 0.00 0.00 51.96 49.47 2k4w s ALA 64 Cb -0.12 -4.05 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 2k4w s ALA 64 CO 0.03 -3.01 1.95 0.08 0.00 0.00 0.00 175.76 174.81 2k4w s VAL 65 N 3.86 3.35 0.60 0.00 1.01 0.74 -4.46 120.40 125.49 2k4w s VAL 65 Ca 0.30 -0.03 0.29 0.00 0.00 0.00 0.00 61.98 62.55 2k4w s VAL 65 Cb -0.10 -3.86 0.41 0.00 0.00 0.00 0.00 36.38 32.84 2k4w s VAL 65 CO 0.01 -0.83 1.58 0.00 0.00 0.00 0.00 175.10 175.86 2k4w h ALA 66 N 13.85 2.70 0.00 5.51 0.00 -1.84 -1.87 119.26 137.61 2k4w h ALA 66 Ca -0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2k4w h ALA 66 Cb 1.11 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 2k4w h ALA 66 CO 1.20 -1.36 -0.21 0.00 0.00 0.00 0.00 179.25 178.88 2k4w n ALA 67 N -2.34 1.91 -0.00 0.00 0.00 -1.25 -3.43 120.51 115.39 2k4w n ALA 67 Ca 0.19 -0.72 0.04 0.00 0.00 0.00 0.00 53.44 52.94 2k4w n ALA 67 Cb 1.20 -0.66 0.41 0.00 0.00 0.00 0.00 19.45 20.40 2k4w n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4w h GLU 68 N 0.62 0.54 0.00 0.00 4.57 -1.50 -3.09 114.58 115.72 2k4w h GLU 68 Ca -0.36 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2k4w h GLU 68 Cb 1.22 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2k4w h GLU 68 CO -0.16 0.37 0.00 0.00 -1.18 0.00 0.00 179.01 178.04 2k4w n ALA 69 N -2.47 1.78 0.87 2.92 0.00 -0.87 -2.53 120.51 120.20 2k4w n ALA 69 Ca 0.03 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2k4w n ALA 69 Cb 0.07 -1.12 0.55 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.97 2.23 -1.36 0.00 0.00 -0.66 -4.32 120.51 115.42 2k4w n ALA 70 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k4w n ALA 70 Cb 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.26 0.97 1.59 0.00 0.00 -1.05 -0.65 105.19 107.31 2k4w n GLY 71 Ca 0.06 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.80 -2.02 0.63 -0.02 0.00 -1.26 -3.43 105.19 98.29 2k4w n GLY 72 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.33 0.00 -2.96 1.61 8.25 -1.26 -3.05 115.22 115.48 2k4w n HIS 73 Ca 0.00 -0.10 -0.18 0.00 -0.26 0.00 0.00 57.72 57.18 2k4w n HIS 73 Cb 0.27 -0.12 0.04 0.00 1.12 0.00 0.00 29.99 31.30 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2k4w n LEU 74 N 0.22 -2.58 -2.49 2.41 7.94 -1.26 -3.93 117.00 117.31 2k4w n LEU 74 Ca 0.00 -0.27 -0.24 0.00 -1.11 0.00 0.00 56.01 54.40 2k4w n LEU 74 Cb 0.25 -2.46 0.01 0.00 0.53 0.00 0.00 43.42 41.75 2k4w n LEU 74 CO 0.00 0.25 0.14 -0.90 -1.11 0.00 0.00 177.39 175.77 2k4w n ASP 75 N -1.68 4.20 0.21 1.96 5.75 -1.26 -4.65 116.55 121.07 2k4w n ASP 75 Ca -0.07 -3.56 0.05 0.00 -0.01 0.00 0.00 54.79 51.20 2k4w n ASP 75 Cb 0.59 -0.47 0.44 0.00 -1.03 0.00 0.00 41.12 40.65 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 2.63 0.00 -0.31 0.11 0.13 -1.98 -3.32 132.00 129.25 2k4w h PRO 76 Ca 0.24 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.12 2k4w h PRO 76 Cb 0.99 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.84 2k4w h PRO 76 CO 0.79 0.29 -0.81 1.04 -0.23 0.00 0.00 178.00 179.08 2k4w n GLN 77 N -4.07 1.96 0.00 0.86 6.02 -1.26 -5.03 117.38 115.85 2k4w n GLN 77 Ca -0.02 -3.37 0.00 0.00 -0.01 0.00 0.00 57.00 53.60 2k4w n GLN 77 Cb 0.35 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.08 2k4w n GLN 77 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2k4w n ASN 78 N -0.60 0.71 0.05 1.08 5.03 -1.25 -5.07 115.26 115.21 2k4w n ASN 78 Ca 0.22 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.69 2k4w n ASN 78 Cb 0.88 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.58 2k4w n ASN 78 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2k4w h THR 79 N 0.00 0.49 0.00 3.41 1.35 -1.84 -3.49 112.91 112.83 2k4w h THR 79 Ca 0.00 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 2k4w h THR 79 Cb 0.00 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2k4w h THR 79 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2k4w n GLY 80 N 1.36 1.14 1.17 5.82 0.00 -0.73 -4.93 105.19 109.01 2k4w n GLY 80 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2k4w n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k4w n LYS 81 N -2.00 2.49 -0.84 1.61 2.85 -1.25 -4.97 118.16 116.04 2k4w n LYS 81 Ca 0.00 -2.29 0.11 0.00 -1.05 0.00 0.00 58.31 55.08 2k4w n LYS 81 Cb 0.00 -1.51 -0.04 0.00 -0.65 0.00 0.00 35.03 32.83 2k4w n LYS 81 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2k4w n HIS 82 N 1.40 -2.21 -3.75 5.58 -0.00 -1.26 -2.85 115.22 112.14 2k4w n HIS 82 Ca 0.21 1.17 -0.11 0.00 -0.00 0.00 0.00 57.72 58.99 2k4w n HIS 82 Cb 0.57 -2.01 -0.07 0.00 -0.00 0.00 0.00 29.99 28.47 2k4w n HIS 82 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2k4w s GLU 83 N -2.94 0.83 0.00 1.57 2.12 -0.69 -3.48 118.70 116.10 2k4w s GLU 83 Ca 0.00 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2k4w s GLU 83 Cb 0.00 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.75 2k4w s GLU 83 CO 0.00 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 2k4w n GLY 84 N 0.52 4.01 0.00 -1.50 0.00 -1.25 -2.31 105.19 104.66 2k4w n GLY 84 Ca -0.18 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.05 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 0.01 -4.19 1.61 -0.04 -1.26 -4.71 135.00 126.42 2k4w n PRO 85 Ca 0.00 0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2k4w n PRO 85 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2k4w n PRO 85 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2k4w s GLU 86 N -2.98 0.94 0.57 0.54 -1.05 -1.26 -5.12 118.70 110.34 2k4w s GLU 86 Ca 0.09 -1.42 0.00 0.00 -0.15 0.00 0.00 54.97 53.49 2k4w s GLU 86 Cb 0.12 -0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 2k4w s GLU 86 CO 0.32 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.84 2k4w n GLY 87 N -0.12 -1.75 3.64 -3.83 0.00 -1.26 -4.63 105.19 97.24 2k4w n GLY 87 Ca -0.09 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 0.56 0.00 1.61 -0.44 -1.26 -4.91 119.66 115.23 2k4w s GLN 88 Ca 0.00 0.75 0.00 0.00 -2.50 0.00 0.00 55.36 53.61 2k4w s GLN 88 Cb 0.00 0.24 0.00 0.00 -1.64 0.00 0.00 33.01 31.61 2k4w s GLN 88 CO 0.00 -0.08 0.00 0.41 0.50 0.00 0.00 175.29 176.12 2k4w n GLY 89 N 2.78 -0.65 3.22 2.59 0.00 -1.23 -4.54 105.19 107.37 2k4w n GLY 89 Ca -0.15 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.71 -0.63 0.53 1.61 3.76 -1.26 -1.78 115.29 116.81 2k4w s HIS 90 Ca 0.00 1.29 0.41 0.00 -0.15 0.00 0.00 55.06 56.61 2k4w s HIS 90 Cb 0.00 0.23 2.15 0.00 1.11 0.00 0.00 32.58 36.07 2k4w s HIS 90 CO 0.00 -0.38 2.28 1.37 -0.85 0.00 0.00 174.74 177.16 2k4w h LEU 91 N 7.59 0.00 -0.18 0.89 -0.00 -1.85 -2.88 115.31 118.88 2k4w h LEU 91 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2k4w h LEU 91 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2k4w h LEU 91 CO 0.23 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.28 2k4w n GLY 92 N -0.83 -0.78 3.82 0.17 0.00 -1.25 -4.81 105.19 101.51 2k4w n GLY 92 Ca -0.02 -0.09 -0.38 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 -1.18 6.99 0.18 1.61 1.01 -1.09 -1.37 116.67 122.82 2k4w s ASP 93 Ca 0.11 1.17 0.03 0.00 0.71 0.00 0.00 52.55 54.57 2k4w s ASP 93 Cb 0.05 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 2k4w s ASP 93 CO 0.08 0.28 -0.02 -0.76 0.21 0.00 0.00 175.17 174.97 2k4w s LEU 94 N -1.06 2.22 0.69 1.23 1.02 -0.62 -4.98 118.68 117.18 2k4w s LEU 94 Ca 0.28 -1.15 -0.11 0.00 0.02 0.00 0.00 54.13 53.17 2k4w s LEU 94 Cb -0.19 -0.15 0.00 0.00 0.02 0.00 0.00 46.19 45.88 2k4w s LEU 94 CO 0.17 -0.51 1.07 -2.16 0.02 0.00 0.00 176.35 174.94 2k4w s PRO 95 N -3.87 3.03 0.33 1.29 0.04 -1.26 -4.15 135.00 130.41 2k4w s PRO 95 Ca 0.23 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 2k4w s PRO 95 Cb 0.05 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2k4w s PRO 95 CO 0.04 -0.95 1.12 0.14 0.04 0.00 0.00 177.00 177.38 2k4w s VAL 96 N -3.23 3.40 -0.49 -0.36 -7.23 -1.26 -4.23 120.40 106.99 2k4w s VAL 96 Ca 0.57 1.30 -0.20 0.00 -1.81 0.00 0.00 61.98 61.83 2k4w s VAL 96 Cb -0.12 -3.78 0.04 0.00 0.56 0.00 0.00 36.38 33.08 2k4w s VAL 96 CO 0.53 0.22 0.68 -0.22 -0.31 0.00 0.00 175.10 176.01 2k4w s LEU 97 N -1.90 4.66 -0.01 1.32 1.98 0.15 -4.88 118.68 119.99 2k4w s LEU 97 Ca 0.50 -0.63 -0.16 0.00 -2.89 0.00 0.00 54.13 50.95 2k4w s LEU 97 Cb -0.30 -2.60 -0.06 0.00 0.66 0.00 0.00 46.19 43.89 2k4w s LEU 97 CO 0.39 -0.91 0.45 -0.69 -1.89 0.00 0.00 176.35 173.70 2k4w s VAL 98 N 2.91 5.01 0.28 1.68 1.01 -1.26 -0.94 120.40 129.09 2k4w s VAL 98 Ca 0.20 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.19 2k4w s VAL 98 Cb -0.16 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2k4w s VAL 98 CO 0.15 0.52 0.13 0.68 0.00 0.00 0.00 175.10 176.59 2k4w s VAL 99 N -0.72 3.82 0.58 2.92 -7.23 -0.33 -3.87 120.40 115.57 2k4w s VAL 99 Ca 0.25 -1.61 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 2k4w s VAL 99 Cb -0.17 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.65 2k4w s VAL 99 CO 0.14 -0.32 0.89 0.54 -0.31 0.00 0.00 175.10 176.03 2k4w s ASN 100 N -3.80 5.57 0.00 4.85 6.03 -0.55 -4.33 114.94 122.70 2k4w s ASN 100 Ca 0.34 0.66 0.02 0.00 -1.03 0.00 0.00 52.86 52.85 2k4w s ASN 100 Cb -0.06 -1.65 0.14 0.00 -3.03 0.00 0.00 41.25 36.64 2k4w s ASN 100 CO 0.23 -1.06 0.45 -0.46 -2.03 0.00 0.00 177.10 174.23 2k4w n ASN 101 N -2.55 0.00 -0.00 3.54 6.94 -1.25 -1.20 115.26 120.73 2k4w n ASN 101 Ca 0.04 -0.20 0.08 0.00 -0.02 0.00 0.00 54.58 54.48 2k4w n ASN 101 Cb 0.58 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.90 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k4w n ASP 102 N -0.76 0.82 0.00 0.53 2.03 -1.26 -4.84 116.55 113.07 2k4w n ASP 102 Ca 0.02 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.53 2k4w n ASP 102 Cb 0.01 1.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 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 1.31 3.08 0.27 0.00 -0.34 -4.87 105.19 106.05 2k4w n GLY 103 Ca 0.02 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 1.42 0.22 -0.61 1.01 -1.24 -1.53 121.20 118.46 2k4w s ILE 104 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 2k4w s ILE 104 Cb 0.00 -1.27 -0.08 0.00 0.01 0.00 0.00 42.46 41.13 2k4w s ILE 104 CO 0.00 0.42 0.60 0.00 0.00 0.00 0.00 174.94 175.96 2k4w s ALA 105 N 0.58 3.51 0.00 9.38 0.00 0.59 -1.49 121.76 134.33 2k4w s ALA 105 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2k4w s ALA 105 Cb -0.16 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2k4w s ALA 105 CO 0.05 0.44 0.00 -2.37 0.00 0.00 0.00 175.76 173.88 2k4w n THR 106 N 0.24 0.00 -2.17 0.00 5.66 -1.26 -4.18 114.28 112.58 2k4w n THR 106 Ca -0.01 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.56 2k4w n THR 106 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.07 3.97 0.58 1.09 0.41 -1.25 -4.64 118.70 118.79 2k4w s GLU 107 Ca 0.00 1.75 -0.07 0.00 -0.41 0.00 0.00 54.97 56.24 2k4w s GLU 107 Cb 0.00 -3.96 -0.01 0.00 -1.78 0.00 0.00 34.13 28.38 2k4w s GLU 107 CO 0.00 -1.08 0.91 -1.25 -0.49 0.00 0.00 175.26 173.35 2k4w s PRO 108 N 4.29 3.13 0.08 0.39 0.04 -1.26 -4.46 135.00 137.20 2k4w s PRO 108 Ca 0.68 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.87 2k4w s PRO 108 Cb -0.26 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2k4w s PRO 108 CO 0.26 -0.61 0.05 0.14 0.04 0.00 0.00 177.00 176.88 2k4w s VAL 109 N -3.00 0.18 -0.02 -0.36 -7.23 -0.78 -5.02 120.40 104.18 2k4w s VAL 109 Ca 0.53 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.09 2k4w s VAL 109 Cb -0.11 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2k4w s VAL 109 CO 0.47 -0.81 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.36 2k4w s THR 110 N -3.93 1.64 -0.50 5.32 2.01 -1.26 -0.43 115.64 118.49 2k4w s THR 110 Ca 0.10 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 2k4w s THR 110 Cb 0.07 -1.36 0.13 0.00 0.01 0.00 0.00 72.50 71.35 2k4w s THR 110 CO -0.08 0.46 0.34 0.00 -0.69 0.00 0.00 174.62 174.65 2k4w s ALA 111 N -0.47 3.38 -1.92 7.40 0.00 -0.12 -4.92 121.76 125.12 2k4w s ALA 111 Ca 0.08 -2.70 0.24 0.00 0.00 0.00 0.00 51.96 49.57 2k4w s ALA 111 Cb -0.08 -2.69 1.38 0.00 0.00 0.00 0.00 23.12 21.72 2k4w s ALA 111 CO -0.01 -1.93 1.78 -0.35 0.00 0.00 0.00 175.76 175.26 2k4w n PRO 112 N 4.51 0.68 0.00 0.00 -0.04 -1.25 -2.23 135.00 136.68 2k4w n PRO 112 Ca -0.02 0.01 0.14 0.00 -0.04 0.00 0.00 63.50 63.59 2k4w n PRO 112 Cb 0.41 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.94 2k4w n PRO 112 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k4w n ARG 113 N -1.04 1.06 -3.70 0.54 0.63 -1.26 -4.74 116.66 108.14 2k4w n ARG 113 Ca 0.17 -0.48 -0.17 0.00 -0.92 0.00 0.00 57.85 56.44 2k4w n ARG 113 Cb 0.10 -1.49 -0.16 0.00 0.45 0.00 0.00 32.46 31.35 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k4w s LEU 114 N -2.28 0.38 0.00 6.15 1.43 -1.18 -5.06 118.68 118.12 2k4w s LEU 114 Ca 0.33 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2k4w s LEU 114 Cb 0.20 0.07 0.09 0.00 0.03 0.00 0.00 46.19 46.59 2k4w s LEU 114 CO 0.43 -0.21 0.91 0.29 0.23 0.00 0.00 176.35 178.00 2k4w n LYS 115 N 4.88 1.51 -3.76 1.70 5.02 -1.26 -1.70 118.16 124.55 2k4w n LYS 115 Ca -0.13 -1.31 -0.13 0.00 -2.02 0.00 0.00 58.31 54.72 2k4w n LYS 115 Cb 0.50 -1.10 -0.09 0.00 -0.02 0.00 0.00 35.03 34.33 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k4w s SER 116 N -0.73 -0.18 0.49 4.39 0.15 -1.26 -4.49 113.70 112.06 2k4w s SER 116 Ca 0.08 0.07 0.18 0.00 0.70 0.00 0.00 55.95 56.98 2k4w s SER 116 Cb 0.04 0.31 1.21 0.00 -1.71 0.00 0.00 66.02 65.87 2k4w s SER 116 CO 0.06 -0.45 2.06 -0.07 1.20 0.00 0.00 173.24 176.05 2k4w h LEU 117 N 3.87 0.00 -1.93 3.45 -0.00 -1.96 -3.03 115.31 115.72 2k4w h LEU 117 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 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 0.40 0.12 0.00 -2.24 -0.00 0.00 0.00 178.44 176.72 2k4w h ASP 118 N 0.00 0.00 1.17 -0.43 3.04 -1.99 0.30 116.42 118.51 2k4w h ASP 118 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k4w h ASP 118 Cb 0.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 2k4w h ASP 118 CO 0.02 0.00 0.00 -0.33 -2.04 0.00 0.00 179.24 176.89 2k4w h GLU 119 N 0.00 0.00 0.00 4.15 5.08 -1.96 -3.34 114.58 118.51 2k4w h GLU 119 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k4w h GLU 119 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2k4w h GLU 119 CO 0.00 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 2k4w n VAL 120 N -3.01 0.38 0.37 3.13 0.24 0.00 -4.89 118.33 114.55 2k4w n VAL 120 Ca 0.01 -0.45 0.01 0.00 -2.04 0.00 0.00 64.34 61.87 2k4w n VAL 120 Cb 0.34 0.94 0.08 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.19 0.18 0.00 7.34 2.85 -0.65 -1.92 118.16 125.77 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 0.30 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 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 -0.72 0.18 -4.96 -5.58 2.03 -1.26 -4.67 116.55 101.57 2k4w n ASP 122 Ca 0.02 -1.01 -0.20 0.00 0.52 0.00 0.00 54.79 54.12 2k4w n ASP 122 Cb 0.01 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.01 2.51 0.10 -0.67 -0.14 -0.81 -1.61 119.74 119.11 2k4w s LYS 123 Ca 0.00 -1.04 0.05 0.00 -1.36 0.00 0.00 55.97 53.62 2k4w s LYS 123 Cb 0.00 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.54 2k4w s LYS 123 CO 0.00 -0.68 0.00 0.00 -0.76 0.00 0.00 175.35 173.92 2k4w s ALA 124 N -2.67 3.30 -0.01 5.17 0.00 -1.16 -2.49 121.76 123.90 2k4w s ALA 124 Ca 0.58 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 51.49 2k4w s ALA 124 Cb -0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2k4w s ALA 124 CO 0.37 0.69 -0.23 -0.51 0.00 0.00 0.00 175.76 176.09 2k4w s LEU 125 N -2.35 2.05 -0.01 0.00 1.43 -0.51 -2.44 118.68 116.85 2k4w s LEU 125 Ca 0.26 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 2k4w s LEU 125 Cb -0.12 -1.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.93 2k4w s LEU 125 CO 0.19 0.28 0.09 -0.04 0.23 0.00 0.00 176.35 177.10 2k4w s MET 126 N -0.58 0.34 -0.28 1.70 1.00 -1.13 -0.68 119.30 119.66 2k4w s MET 126 Ca 0.09 -0.27 -0.17 0.00 0.00 0.00 0.00 55.69 55.34 2k4w s MET 126 Cb -0.09 0.14 -0.03 0.00 0.00 0.00 0.00 34.83 34.85 2k4w s MET 126 CO -0.01 -0.07 0.46 0.42 0.00 0.00 0.00 175.02 175.83 2k4w s ILE 127 N -0.94 5.10 0.06 2.53 1.01 0.47 -3.47 121.20 125.95 2k4w s ILE 127 Ca -0.10 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 2k4w s ILE 127 Cb -0.06 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2k4w s ILE 127 CO 0.01 0.06 0.25 -1.00 0.00 0.00 0.00 174.94 174.26 2k4w s HIS 128 N 2.24 3.52 0.15 3.97 3.76 0.10 -0.73 115.29 128.30 2k4w s HIS 128 Ca 0.18 0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 55.32 2k4w s HIS 128 Cb -0.16 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.67 2k4w s HIS 128 CO 0.10 0.57 1.81 0.28 -0.85 0.00 0.00 174.74 176.65 2k4w h VAL 129 N 2.36 1.08 -1.60 -0.90 2.07 -1.08 -2.83 116.25 115.34 2k4w h VAL 129 Ca -0.47 -0.17 -0.56 0.00 0.82 0.00 0.00 66.70 66.32 2k4w h VAL 129 Cb 1.17 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 2k4w h VAL 129 CO 0.72 0.09 -0.49 -0.83 0.02 0.00 0.00 177.57 177.08 2k4w s GLY 130 N -2.55 2.30 0.63 2.17 0.00 -1.26 -4.72 107.32 103.89 2k4w s GLY 130 Ca -0.13 -2.08 -0.11 0.00 0.00 0.00 0.00 44.72 42.40 2k4w s GLY 130 CO 0.72 -1.89 0.46 0.61 0.00 0.00 0.00 173.10 173.00 2k4w n GLY 131 N -1.25 -3.18 3.69 0.20 0.00 -1.03 -0.39 105.19 103.23 2k4w n GLY 131 Ca -0.01 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 2k4w n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4w s ASP 132 N -2.72 -0.37 0.00 1.61 -1.08 -1.26 -4.56 116.67 108.29 2k4w s ASP 132 Ca 0.32 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 2k4w s ASP 132 Cb -0.04 0.68 0.00 0.00 -1.46 0.00 0.00 42.92 42.10 2k4w s ASP 132 CO 0.26 -1.20 0.00 -0.46 0.52 0.00 0.00 175.17 174.28 2k4w n ASN 133 N -0.43 0.00 -4.48 -0.34 0.23 -1.26 -4.82 115.26 104.17 2k4w n ASN 133 Ca -0.09 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.53 2k4w n ASN 133 Cb 0.61 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.25 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 2k4w s MET 134 N 0.00 3.20 0.35 -3.83 -1.94 -0.98 -3.74 119.30 112.36 2k4w s MET 134 Ca 0.00 -0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 2k4w s MET 134 Cb 0.00 -4.05 -0.04 0.00 2.01 0.00 0.00 34.83 32.75 2k4w s MET 134 CO 0.00 -1.20 0.58 -1.54 -0.01 0.00 0.00 175.02 172.85 2k4w s SER 135 N 2.51 6.32 -1.28 3.03 1.04 -1.26 -1.70 113.70 122.36 2k4w s SER 135 Ca 0.19 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2k4w s SER 135 Cb -0.17 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2k4w s SER 135 CO 0.15 -0.31 0.00 -0.67 0.98 0.00 0.00 173.24 173.39 2k4w n ASP 136 N -1.67 -4.89 -4.90 7.02 2.03 -1.13 -4.90 116.55 108.11 2k4w n ASP 136 Ca -0.03 0.30 -0.28 0.00 0.52 0.00 0.00 54.79 55.29 2k4w n ASP 136 Cb 0.56 -3.45 -0.02 0.00 -0.72 0.00 0.00 41.12 37.48 2k4w n ASP 136 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4w s GLN 137 N -2.91 3.63 0.29 -0.67 0.00 -1.26 -5.03 119.66 113.71 2k4w s GLN 137 Ca 0.00 0.18 0.20 0.00 -0.00 0.00 0.00 55.36 55.74 2k4w s GLN 137 Cb 0.00 -2.48 0.12 0.00 0.00 0.00 0.00 33.01 30.65 2k4w s GLN 137 CO 0.00 -0.01 1.30 -1.00 0.00 0.00 0.00 175.29 175.58 2k4w h PRO 138 N 0.95 0.00 -4.00 9.60 0.13 -1.96 -3.39 132.00 133.33 2k4w h PRO 138 Ca -0.47 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.90 2k4w h PRO 138 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2k4w h PRO 138 CO 0.63 0.14 -0.17 0.15 -0.23 0.00 0.00 178.00 178.52 2k4w s LYS 139 N -3.17 3.03 0.43 0.86 -0.14 -1.26 -5.07 119.74 114.42 2k4w s LYS 139 Ca 0.03 -2.06 -0.25 0.00 -1.36 0.00 0.00 55.97 52.33 2k4w s LYS 139 Cb 0.07 -4.20 -0.08 0.00 -1.68 0.00 0.00 37.83 31.95 2k4w s LYS 139 CO 0.74 -1.27 1.29 -1.25 -0.76 0.00 0.00 175.35 174.10 2k4w s PRO 140 N 0.90 3.82 0.00 -1.68 0.04 -1.26 -2.08 135.00 134.73 2k4w s PRO 140 Ca 0.10 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2k4w s PRO 140 Cb -0.22 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2k4w s PRO 140 CO -0.02 -0.60 0.00 1.28 0.04 0.00 0.00 177.00 177.69 2k4w n LEU 141 N -0.14 0.00 -0.76 -3.56 7.99 -1.26 -4.53 117.00 114.74 2k4w n LEU 141 Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.95 2k4w n LEU 141 Cb 0.44 -0.07 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 2k4w n LEU 141 CO 0.54 0.00 -0.09 0.61 -1.51 0.00 0.00 177.39 176.94 2k4w n GLY 142 N -1.99 1.00 1.78 -0.72 0.00 -0.88 -0.97 105.19 103.40 2k4w n GLY 142 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k4w n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 143 N -0.17 3.19 0.00 -0.02 0.00 -1.26 -4.90 105.19 102.02 2k4w n GLY 143 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.64 -0.80 0.00 -0.02 0.00 -0.15 -2.03 105.19 100.55 2k4w n GLY 144 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.30 -1.09 3.72 -0.02 0.00 -1.21 -4.67 105.19 101.62 2k4w n GLY 145 Ca 0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.51 4.12 -0.13 2.61 -4.23 -0.86 -5.00 115.64 109.64 2k4w s THR 146 Ca 0.25 1.63 -0.11 0.00 -1.18 0.00 0.00 61.69 62.29 2k4w s THR 146 Cb 0.17 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 2k4w s THR 146 CO 0.38 0.19 0.22 -0.13 -0.54 0.00 0.00 174.62 174.74 2k4w s ARG 147 N 0.49 3.91 -0.13 3.99 3.00 -1.26 -0.52 118.95 128.43 2k4w s ARG 147 Ca 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 55.73 56.21 2k4w s ARG 147 Cb -0.28 -3.31 -0.26 0.00 0.00 0.00 0.00 34.95 31.11 2k4w s ARG 147 CO 0.31 0.51 0.32 0.98 0.00 0.00 0.00 175.30 177.42 2k4w n TYR 148 N 2.73 1.17 -3.80 -0.53 9.36 0.09 -4.71 117.16 121.48 2k4w n TYR 148 Ca -0.16 0.25 -0.14 0.00 3.32 0.00 0.00 57.90 61.17 2k4w n TYR 148 Cb 0.53 -1.15 -0.15 0.00 -0.63 0.00 0.00 39.34 37.94 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 -2.56 0.00 0.03 2.98 0.00 -0.75 -3.34 121.76 118.13 2k4w s ALA 149 Ca -0.23 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.04 2k4w s ALA 149 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2k4w s ALA 149 CO 0.76 -0.08 -0.15 0.00 0.00 0.00 0.00 175.76 176.29 2k4w s GLY 151 N -1.45 0.94 0.00 0.00 0.00 0.14 -0.86 107.32 106.09 2k4w s GLY 151 Ca 0.15 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.58 2k4w s GLY 151 CO 0.06 -1.13 -0.06 0.14 0.00 0.00 0.00 173.10 172.11 2k4w s VAL 152 N -4.06 0.48 0.14 1.40 1.01 -1.26 -1.42 120.40 116.69 2k4w s VAL 152 Ca 0.27 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2k4w s VAL 152 Cb 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 2k4w s VAL 152 CO 0.06 0.03 0.59 -0.63 0.00 0.00 0.00 175.10 175.15 2k4w s ILE 153 N -0.37 4.76 0.00 2.22 1.01 -1.04 -4.87 121.20 122.92 2k4w s ILE 153 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2k4w s ILE 153 Cb -0.04 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2k4w s ILE 153 CO -0.00 0.32 0.00 0.29 0.00 0.00 0.00 174.94 175.55