#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 0.78 -0.21 0.00 0.01 -1.26 -0.06 113.70 112.95 2k4w s SER 2 Ca 0.00 -0.25 -0.14 0.00 1.31 0.00 0.00 55.95 56.87 2k4w s SER 2 Cb 0.00 -0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.25 2k4w s SER 2 CO 0.00 -0.01 0.54 -0.70 0.41 0.00 0.00 173.24 173.48 2k4w s GLU 3 N -0.59 0.56 -0.59 12.44 2.56 -0.04 -5.00 118.70 128.04 2k4w s GLU 3 Ca -0.01 0.92 -0.12 0.00 0.00 0.00 0.00 54.97 55.76 2k4w s GLU 3 Cb -0.05 0.12 0.15 0.00 2.00 0.00 0.00 34.13 36.35 2k4w s GLU 3 CO 0.00 -0.13 0.50 -1.59 -0.56 0.00 0.00 175.26 173.48 2k4w s LYS 4 N 1.18 2.91 -0.13 4.30 0.00 -1.26 -0.49 119.74 126.25 2k4w s LYS 4 Ca -0.07 -1.96 -0.29 0.00 0.00 0.00 0.00 55.97 53.64 2k4w s LYS 4 Cb -0.06 -4.15 -0.01 0.00 0.00 0.00 0.00 37.83 33.60 2k4w s LYS 4 CO -0.11 -1.26 1.13 0.08 0.00 0.00 0.00 175.35 175.19 2k4w s VAL 5 N 1.07 4.49 -0.55 1.79 1.01 -0.02 -4.74 120.40 123.44 2k4w s VAL 5 Ca 0.08 1.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.57 2k4w s VAL 5 Cb -0.24 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2k4w s VAL 5 CO -0.01 -0.07 1.45 -0.83 0.00 0.00 0.00 175.10 175.63 2k4w s GLY 6 N 1.44 0.86 -0.47 4.51 0.00 -1.26 -1.12 107.32 111.29 2k4w s GLY 6 Ca 0.51 -0.63 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 2k4w s GLY 6 CO 0.15 2.84 0.68 1.06 0.00 0.00 0.00 173.10 177.84 2k4w s MET 7 N 5.57 3.26 0.36 2.90 -1.94 -1.11 -4.45 119.30 123.88 2k4w s MET 7 Ca 0.54 -0.46 -0.27 0.00 -1.71 0.00 0.00 55.69 53.79 2k4w s MET 7 Cb -0.11 -3.99 -0.09 0.00 2.01 0.00 0.00 34.83 32.64 2k4w s MET 7 CO 0.25 -1.11 1.22 -0.80 -0.01 0.00 0.00 175.02 174.56 2k4w s ASN 8 N 2.25 6.70 0.23 3.03 -0.87 0.01 -4.12 114.94 122.16 2k4w s ASN 8 Ca 0.22 2.48 -0.30 0.00 -1.57 0.00 0.00 52.86 53.69 2k4w s ASN 8 Cb -0.15 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.25 38.36 2k4w s ASN 8 CO 0.18 -0.57 1.38 -0.76 -2.57 0.00 0.00 177.10 174.76 2k4w s LEU 9 N -2.09 4.40 0.06 0.60 1.43 0.12 -0.86 118.68 122.34 2k4w s LEU 9 Ca 0.52 2.55 -0.03 0.00 -1.03 0.00 0.00 54.13 56.14 2k4w s LEU 9 Cb -0.35 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 2k4w s LEU 9 CO 0.45 -0.62 0.02 0.68 0.23 0.00 0.00 176.35 177.11 2k4w s VAL 10 N 0.03 0.19 0.00 -1.59 -7.23 -0.81 -0.94 120.40 110.05 2k4w s VAL 10 Ca 0.58 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2k4w s VAL 10 Cb -0.39 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.16 2k4w s VAL 10 CO 0.41 -0.88 0.00 1.07 -0.31 0.00 0.00 175.10 175.39 2k4w n THR 11 N 0.19 0.00 0.35 5.32 5.66 -0.43 -4.56 114.28 120.81 2k4w n THR 11 Ca -0.15 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.97 2k4w n THR 11 Cb 0.61 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.60 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w h ALA 12 N 1.76 0.90 0.00 1.79 0.00 -1.96 -2.65 119.26 119.10 2k4w h ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k4w h ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2k4w n GLN 13 N -2.72 0.66 0.00 0.00 3.00 -1.26 -4.84 117.38 112.22 2k4w n GLN 13 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2k4w n GLN 13 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.24 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 1.15 0.52 3.71 1.08 0.00 -1.00 -4.95 105.19 105.70 2k4w n GLY 14 Ca 0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2k4w n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 15 N 0.00 4.90 0.00 1.61 1.01 -1.26 -1.31 120.40 125.35 2k4w s VAL 15 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2k4w s VAL 15 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2k4w s VAL 15 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2k4w n GLY 16 N 2.93 0.08 3.28 4.51 0.00 -0.11 -5.00 105.19 110.87 2k4w n GLY 16 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 0.93 0.79 0.38 1.61 0.00 -1.23 -4.94 119.66 117.19 2k4w s GLN 17 Ca 0.00 -0.29 -0.09 0.00 -0.00 0.00 0.00 55.36 54.98 2k4w s GLN 17 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 33.01 33.30 2k4w s GLN 17 CO 0.00 -0.24 0.71 0.45 0.00 0.00 0.00 175.29 176.21 2k4w s SER 18 N -1.68 6.48 0.00 12.60 0.15 -1.26 -0.70 113.70 129.29 2k4w s SER 18 Ca -0.09 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.56 2k4w s SER 18 Cb -0.03 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2k4w s SER 18 CO 0.01 -0.35 0.26 2.30 1.20 0.00 0.00 173.24 176.66 2k4w n ILE 19 N -1.26 0.07 0.00 6.45 -5.35 -1.26 -4.93 119.36 113.07 2k4w n ILE 19 Ca 0.01 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2k4w n ILE 19 Cb 0.54 1.51 0.00 0.00 -1.74 0.00 0.00 39.64 39.95 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 -0.03 2.68 4.02 3.28 0.00 -1.26 -4.10 105.19 109.78 2k4w n GLY 20 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.28 2.37 -0.08 2.61 -4.23 -1.25 -2.76 115.64 111.02 2k4w s THR 21 Ca 0.00 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 2k4w s THR 21 Cb 0.00 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.37 2k4w s THR 21 CO 0.00 0.00 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 2k4w s VAL 22 N -2.70 1.26 -0.23 2.29 1.01 -0.28 -2.46 120.40 119.31 2k4w s VAL 22 Ca 0.61 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 2k4w s VAL 22 Cb -0.07 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 2k4w s VAL 22 CO 0.39 0.39 0.72 0.54 0.00 0.00 0.00 175.10 177.13 2k4w s VAL 23 N 0.71 4.93 -0.18 2.92 0.11 -0.02 -0.84 120.40 128.03 2k4w s VAL 23 Ca -0.13 1.35 -0.14 0.00 -2.93 0.00 0.00 61.98 60.13 2k4w s VAL 23 Cb -0.16 -4.02 -0.05 0.00 -1.53 0.00 0.00 36.38 30.63 2k4w s VAL 23 CO 0.03 0.01 0.28 -0.63 -3.33 0.00 0.00 175.10 171.47 2k4w s ILE 24 N 2.43 5.30 -0.20 7.04 1.01 0.36 -0.41 121.20 136.73 2k4w s ILE 24 Ca 0.31 0.51 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 2k4w s ILE 24 Cb -0.16 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.74 2k4w s ILE 24 CO 0.09 0.37 -0.02 -0.62 0.00 0.00 0.00 174.94 174.75 2k4w s ASP 25 N 0.61 3.23 0.23 3.58 2.15 -0.04 -0.86 116.67 125.57 2k4w s ASP 25 Ca 0.15 -0.90 -0.18 0.00 0.43 0.00 0.00 52.55 52.06 2k4w s ASP 25 Cb -0.13 -0.91 -0.08 0.00 -0.30 0.00 0.00 42.92 41.50 2k4w s ASP 25 CO 0.04 -0.24 0.70 -0.70 -0.17 0.00 0.00 175.17 174.80 2k4w s GLU 26 N 1.62 4.16 0.09 4.34 2.56 0.91 -0.99 118.70 131.40 2k4w s GLU 26 Ca -0.02 0.78 -0.25 0.00 0.00 0.00 0.00 54.97 55.47 2k4w s GLU 26 Cb -0.17 -2.79 0.08 0.00 2.00 0.00 0.00 34.13 33.25 2k4w s GLU 26 CO -0.07 0.35 0.73 -0.08 -0.56 0.00 0.00 175.26 175.63 2k4w s THR 27 N -1.62 0.00 0.04 -1.70 -1.32 -1.25 -1.21 115.64 108.58 2k4w s THR 27 Ca 0.45 -0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.86 2k4w s THR 27 Cb -0.15 -1.05 0.05 0.00 -1.51 0.00 0.00 72.50 69.84 2k4w s THR 27 CO 0.20 0.00 0.25 -0.62 -2.21 0.00 0.00 174.62 172.24 2k4w n GLU 28 N -0.33 -0.03 -0.20 7.08 -0.58 -1.26 -0.12 120.64 125.20 2k4w n GLU 28 Ca -0.13 0.25 0.04 0.00 -0.42 0.00 0.00 57.16 56.90 2k4w n GLU 28 Cb 0.63 -0.37 0.14 0.00 -0.57 0.00 0.00 31.44 31.28 2k4w n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k4w n GLY 29 N -1.08 0.79 5.53 0.62 0.00 -1.26 -5.04 105.19 104.75 2k4w n GLY 29 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 0.82 -1.58 3.53 -0.02 0.00 0.83 -3.52 105.19 105.25 2k4w n GLY 30 Ca 0.10 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 2k4w n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4w n LEU 31 N 0.00 1.39 -4.56 0.99 4.77 -0.72 -3.84 117.00 115.02 2k4w n LEU 31 Ca 0.00 -0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.27 2k4w n LEU 31 Cb 0.09 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 2k4w n LEU 31 CO 0.00 -1.29 1.05 -0.75 -1.33 0.00 0.00 177.39 175.07 2k4w s LYS 32 N 8.56 3.40 -0.26 3.23 2.20 -0.16 -1.54 119.74 135.18 2k4w s LYS 32 Ca 1.14 0.04 -0.16 0.00 -0.36 0.00 0.00 55.97 56.63 2k4w s LYS 32 Cb -0.61 -4.06 -0.03 0.00 -1.51 0.00 0.00 37.83 31.61 2k4w s LYS 32 CO 0.35 -1.77 0.43 0.12 -0.36 0.00 0.00 175.35 174.11 2k4w s PHE 33 N 4.99 3.27 -0.17 4.03 5.36 0.88 -0.86 117.98 135.49 2k4w s PHE 33 Ca 0.39 0.52 -0.00 0.00 -0.96 0.00 0.00 56.93 56.88 2k4w s PHE 33 Cb -0.08 -2.61 0.04 0.00 -0.34 0.00 0.00 43.02 40.02 2k4w s PHE 33 CO 0.22 -0.21 -0.07 0.99 -1.46 0.00 0.00 175.22 174.68 2k4w s THR 34 N 2.02 1.26 0.43 0.12 2.01 0.45 -0.96 115.64 120.98 2k4w s THR 34 Ca 0.18 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 2k4w s THR 34 Cb -0.16 -1.38 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 2k4w s THR 34 CO 0.09 0.19 0.81 -2.16 -0.69 0.00 0.00 174.62 172.86 2k4w s PRO 35 N 1.57 3.80 -0.41 4.92 0.04 -1.26 -0.84 135.00 142.82 2k4w s PRO 35 Ca 0.01 0.55 0.09 0.00 0.04 0.00 0.00 61.00 61.69 2k4w s PRO 35 Cb -0.15 -2.34 0.32 0.00 0.04 0.00 0.00 34.50 32.37 2k4w s PRO 35 CO -0.08 -0.09 0.82 -2.39 0.04 0.00 0.00 177.00 175.30 2k4w n HIS 36 N -1.39 -1.02 -4.67 0.56 1.44 -1.03 -4.12 115.22 104.98 2k4w n HIS 36 Ca 0.03 -3.16 -0.28 0.00 -2.01 0.00 0.00 57.72 52.30 2k4w n HIS 36 Cb 0.54 0.31 -0.14 0.00 0.12 0.00 0.00 29.99 30.82 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 -2.07 2.21 -0.06 2.39 1.02 -1.25 -3.95 118.68 116.98 2k4w s LEU 37 Ca 0.34 -0.62 0.14 0.00 0.02 0.00 0.00 54.13 54.01 2k4w s LEU 37 Cb 0.30 -1.15 0.27 0.00 0.02 0.00 0.00 46.19 45.63 2k4w s LEU 37 CO -0.09 0.20 1.12 0.29 0.02 0.00 0.00 176.35 177.89 2k4w n LYS 38 N 1.55 0.47 -0.81 1.70 5.02 -1.26 -0.86 118.16 123.97 2k4w n LYS 38 Ca -0.17 -2.00 -0.02 0.00 -2.02 0.00 0.00 58.31 54.09 2k4w n LYS 38 Cb 0.53 -0.66 -0.03 0.00 -0.02 0.00 0.00 35.03 34.85 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4w n ALA 39 N -0.22 2.73 -2.28 7.82 0.00 -0.65 -4.68 120.51 123.23 2k4w n ALA 39 Ca 0.08 -0.64 -0.25 0.00 0.00 0.00 0.00 53.44 52.62 2k4w n ALA 39 Cb 0.85 -0.27 0.01 0.00 0.00 0.00 0.00 19.45 20.05 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 3.57 0.18 0.00 2.34 -0.66 -5.04 118.68 119.06 2k4w s LEU 40 Ca 0.04 0.59 -0.32 0.00 0.06 0.00 0.00 54.13 54.50 2k4w s LEU 40 Cb 0.04 -3.47 -0.11 0.00 -0.56 0.00 0.00 46.19 42.09 2k4w s LEU 40 CO -0.02 -0.73 1.77 -2.16 -1.06 0.00 0.00 176.35 174.15 2k4w s PRO 41 N -4.70 4.13 -0.09 1.48 0.04 -1.26 -4.34 135.00 130.26 2k4w s PRO 41 Ca 0.49 2.61 0.05 0.00 0.04 0.00 0.00 61.00 64.18 2k4w s PRO 41 Cb -0.10 -3.28 0.31 0.00 0.04 0.00 0.00 34.50 31.47 2k4w s PRO 41 CO 0.41 -0.79 0.98 -0.35 0.04 0.00 0.00 177.00 177.29 2k4w n PRO 42 N 4.66 2.45 -4.21 0.56 -0.04 -1.26 -4.73 135.00 132.43 2k4w n PRO 42 Ca 0.17 -1.18 -0.30 0.00 -0.04 0.00 0.00 63.50 62.15 2k4w n PRO 42 Cb 0.36 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.94 2k4w n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k4w s GLY 43 N -0.28 1.81 0.33 0.55 0.00 -1.26 -3.73 107.32 104.74 2k4w s GLY 43 Ca 0.20 -1.23 -0.25 0.00 0.00 0.00 0.00 44.72 43.45 2k4w s GLY 43 CO 0.06 -1.21 0.55 -1.84 0.00 0.00 0.00 173.10 170.65 2k4w n GLU 44 N 0.63 0.46 -4.42 2.90 0.28 -1.26 -4.60 120.64 114.63 2k4w n GLU 44 Ca -0.13 0.16 -0.27 0.00 -0.16 0.00 0.00 57.16 56.76 2k4w n GLU 44 Cb 0.52 -1.34 -0.17 0.00 1.43 0.00 0.00 31.44 31.89 2k4w n GLU 44 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2k4w s HIS 45 N -1.30 1.77 0.93 -1.84 3.76 0.12 -3.76 115.29 114.98 2k4w s HIS 45 Ca 0.62 -0.79 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 2k4w s HIS 45 Cb -0.72 -1.30 0.09 0.00 1.11 0.00 0.00 32.58 31.76 2k4w s HIS 45 CO 0.59 -0.43 0.79 0.41 -0.85 0.00 0.00 174.74 175.25 2k4w n GLY 46 N 4.19 -1.17 2.80 -2.22 0.00 0.00 0.47 105.19 109.26 2k4w n GLY 46 Ca -0.19 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.52 0.41 0.26 1.61 5.36 -1.23 -0.91 117.98 120.96 2k4w s PHE 47 Ca 0.62 -0.03 0.11 0.00 -0.96 0.00 0.00 56.93 56.68 2k4w s PHE 47 Cb -0.22 -0.53 -0.05 0.00 -0.34 0.00 0.00 43.02 41.88 2k4w s PHE 47 CO 0.63 -0.19 -0.20 -1.01 -1.46 0.00 0.00 175.22 172.99 2k4w s HIS 48 N 1.36 2.22 -0.11 10.12 3.76 -1.02 -0.95 115.29 130.67 2k4w s HIS 48 Ca -0.05 -0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 2k4w s HIS 48 Cb -0.13 -0.98 -0.04 0.00 1.11 0.00 0.00 32.58 32.54 2k4w s HIS 48 CO -0.02 0.65 0.08 0.42 -0.85 0.00 0.00 174.74 175.01 2k4w s ILE 49 N -2.47 4.96 0.36 0.60 1.01 -0.18 -1.46 121.20 124.02 2k4w s ILE 49 Ca 0.28 -0.00 0.08 0.00 0.00 0.00 0.00 60.65 61.01 2k4w s ILE 49 Cb -0.05 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 2k4w s ILE 49 CO 0.13 0.61 0.11 -1.00 0.00 0.00 0.00 174.94 174.79 2k4w s HIS 50 N -0.93 2.63 0.10 3.97 3.76 -0.40 -1.21 115.29 123.21 2k4w s HIS 50 Ca 0.14 -0.45 -0.13 0.00 -0.15 0.00 0.00 55.06 54.46 2k4w s HIS 50 Cb -0.12 -1.67 -0.15 0.00 1.11 0.00 0.00 32.58 31.75 2k4w s HIS 50 CO 0.03 0.34 1.31 0.00 -0.85 0.00 0.00 174.74 175.57 2k4w h ALA 51 N 1.60 0.31 -3.00 -1.40 0.00 -1.07 -3.39 119.26 112.30 2k4w h ALA 51 Ca -0.43 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2k4w h ALA 51 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k4w h ALA 51 CO 0.66 0.63 0.00 0.09 0.00 0.00 0.00 179.25 180.64 2k4w n ASN 52 N -3.99 0.89 0.00 0.00 3.02 0.25 -4.85 115.26 110.58 2k4w n ASN 52 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2k4w n ASN 52 Cb 0.71 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 2k4w n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k4w n GLY 53 N 5.00 -0.78 3.47 7.41 0.00 -0.54 -0.93 105.19 118.82 2k4w n GLY 53 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.01 -0.61 0.00 1.61 0.15 -0.52 -4.53 113.70 109.78 2k4w s SER 54 Ca 0.00 1.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.79 2k4w s SER 54 Cb 0.00 1.15 -0.06 0.00 -1.71 0.00 0.00 66.02 65.40 2k4w s SER 54 CO 0.00 -0.20 1.34 0.00 1.20 0.00 0.00 173.24 175.58 2k4w s GLN 56 N 1.66 3.36 0.35 0.00 1.11 -1.26 -4.28 119.66 120.59 2k4w s GLN 56 Ca 0.14 -0.65 -0.24 0.00 0.01 0.00 0.00 55.36 54.62 2k4w s GLN 56 Cb 0.07 -3.14 -0.10 0.00 -1.01 0.00 0.00 33.01 28.82 2k4w s GLN 56 CO 0.00 -0.25 0.92 -1.25 0.01 0.00 0.00 175.29 174.72 2k4w s PRO 57 N 1.50 4.43 0.14 2.91 0.04 -1.25 -0.54 135.00 142.23 2k4w s PRO 57 Ca 0.05 1.20 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 2k4w s PRO 57 Cb -0.15 -2.60 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 2k4w s PRO 57 CO -0.01 0.19 0.77 0.00 0.04 0.00 0.00 177.00 178.00 2k4w s ALA 58 N -1.79 3.43 -0.53 8.56 0.00 -1.26 -4.86 121.76 125.30 2k4w s ALA 58 Ca 0.53 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 2k4w s ALA 58 Cb -0.15 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.04 2k4w s ALA 58 CO 0.20 0.25 0.92 0.42 0.00 0.00 0.00 175.76 177.55 2k4w s ILE 59 N -0.92 4.43 -0.17 0.00 -1.09 -1.26 -0.92 121.20 121.27 2k4w s ILE 59 Ca 0.36 0.32 -0.13 0.00 -2.23 0.00 0.00 60.65 58.97 2k4w s ILE 59 Cb -0.23 -4.51 0.05 0.00 -1.58 0.00 0.00 42.46 36.20 2k4w s ILE 59 CO 0.26 -1.05 0.43 -0.75 -1.23 0.00 0.00 174.94 172.60 2k4w s LYS 60 N 3.84 0.47 -1.48 2.79 2.20 0.05 -4.86 119.74 122.75 2k4w s LYS 60 Ca 0.31 0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 56.52 2k4w s LYS 60 Cb -0.12 0.16 0.05 0.00 -1.51 0.00 0.00 37.83 36.40 2k4w s LYS 60 CO 0.20 -0.09 0.70 -3.47 -0.36 0.00 0.00 175.35 172.32 2k4w n ASP 61 N 3.34 -2.23 0.00 1.43 2.03 -1.26 -2.19 116.55 117.66 2k4w n ASP 61 Ca -0.17 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2k4w n ASP 61 Cb 0.56 -3.42 0.00 0.00 -0.72 0.00 0.00 41.12 37.54 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 -1.71 3.19 3.26 0.27 0.00 -1.26 -5.00 105.19 103.94 2k4w n GLY 62 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.60 1.00 -0.19 1.61 -2.07 -0.93 -5.12 119.66 113.35 2k4w s GLN 63 Ca 0.00 -1.17 -0.28 0.00 -1.82 0.00 0.00 55.36 52.10 2k4w s GLN 63 Cb 0.00 0.33 -0.00 0.00 -1.09 0.00 0.00 33.01 32.25 2k4w s GLN 63 CO 0.00 -0.34 0.96 0.00 -1.32 0.00 0.00 175.29 174.60 2k4w s ALA 64 N -3.95 3.59 -0.91 2.60 0.00 -1.26 -0.77 121.76 121.07 2k4w s ALA 64 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2k4w s ALA 64 Cb 0.05 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2k4w s ALA 64 CO -0.03 -0.86 0.45 1.33 0.00 0.00 0.00 175.76 176.65 2k4w n VAL 65 N 5.04 0.08 0.00 0.00 0.24 -0.09 -4.90 118.33 118.70 2k4w n VAL 65 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2k4w n VAL 65 Cb 0.47 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k4w n ALA 66 N 0.13 0.00 -3.36 2.33 0.00 -1.26 -4.45 120.51 113.90 2k4w n ALA 66 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2k4w n ALA 66 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w s ALA 67 N 0.00 -2.79 -0.22 0.00 0.00 -1.26 -3.97 121.76 113.51 2k4w s ALA 67 Ca 0.00 1.97 -0.07 0.00 0.00 0.00 0.00 51.96 53.86 2k4w s ALA 67 Cb 0.00 -2.11 -0.18 0.00 0.00 0.00 0.00 23.12 20.82 2k4w s ALA 67 CO 0.00 -1.01 -0.05 -1.91 0.00 0.00 0.00 175.76 172.79 2k4w n GLU 68 N 5.02 0.65 0.00 0.00 2.13 0.30 -4.37 120.64 124.37 2k4w n GLU 68 Ca -0.08 0.27 0.06 0.00 0.66 0.00 0.00 57.16 58.07 2k4w n GLU 68 Cb 0.53 -1.59 0.36 0.00 0.27 0.00 0.00 31.44 31.00 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4w n ALA 69 N -3.45 1.88 0.07 4.31 0.00 -1.17 -1.38 120.51 120.77 2k4w n ALA 69 Ca -0.43 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 52.97 2k4w n ALA 69 Cb 0.94 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w h ALA 70 N 2.72 0.64 -1.05 0.00 0.00 -1.49 -1.09 119.26 118.99 2k4w h ALA 70 Ca 0.00 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.43 2k4w h ALA 70 Cb 0.05 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2k4w h ALA 70 CO 0.00 0.65 -0.13 0.41 0.00 0.00 0.00 179.25 180.17 2k4w n GLY 71 N 1.31 -1.99 2.41 0.00 0.00 -0.48 -0.58 105.19 105.87 2k4w n GLY 71 Ca -0.05 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.53 -2.31 3.62 -0.02 0.00 -1.26 -4.61 105.19 99.08 2k4w n GLY 72 Ca 0.00 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.85 0.83 -1.80 1.61 8.25 -1.26 -1.17 115.22 117.82 2k4w n HIS 73 Ca 0.10 0.42 -0.37 0.00 -0.26 0.00 0.00 57.72 57.61 2k4w n HIS 73 Cb 0.39 -2.13 -0.03 0.00 1.12 0.00 0.00 29.99 29.34 2k4w n HIS 73 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2k4w s LEU 74 N -2.36 3.35 -0.29 2.41 2.96 -0.35 -4.42 118.68 119.98 2k4w s LEU 74 Ca 0.77 0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 55.28 2k4w s LEU 74 Cb -0.40 -2.55 0.13 0.00 0.50 0.00 0.00 46.19 43.87 2k4w s LEU 74 CO 0.46 -2.61 0.79 -0.62 -1.32 0.00 0.00 176.35 173.05 2k4w s ASP 75 N 10.05 -0.88 0.10 3.68 2.15 -1.26 -1.90 116.67 128.61 2k4w s ASP 75 Ca 0.82 1.27 0.23 0.00 0.43 0.00 0.00 52.55 55.30 2k4w s ASP 75 Cb -0.15 1.83 0.07 0.00 -0.30 0.00 0.00 42.92 44.36 2k4w s ASP 75 CO 0.24 -0.18 1.05 -0.81 -0.17 0.00 0.00 175.17 175.29 2k4w n PRO 76 N 4.89 0.41 0.00 4.34 -0.04 -1.26 -4.89 135.00 138.45 2k4w n PRO 76 Ca -0.14 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2k4w n PRO 76 Cb 0.53 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2k4w n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4w n GLN 77 N -2.22 0.00 -0.18 0.54 10.64 -1.26 -5.02 117.38 119.88 2k4w n GLN 77 Ca 0.01 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.21 2k4w n GLN 77 Cb 0.48 0.00 0.31 0.00 -0.86 0.00 0.00 30.24 30.17 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2k4w h ASN 78 N 0.00 0.74 0.00 2.61 2.35 -1.91 -3.43 115.58 115.94 2k4w h ASN 78 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k4w h ASN 78 Cb 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2k4w h ASN 78 CO 0.00 0.52 0.00 1.07 -1.65 0.00 0.00 177.43 177.37 2k4w n THR 79 N -4.45 0.00 0.00 2.81 5.66 -1.26 -5.01 114.28 112.03 2k4w n THR 79 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2k4w n THR 79 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 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 -0.86 2.91 3.83 1.09 0.00 -1.26 -5.04 105.19 105.87 2k4w n GLY 80 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2k4w n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4w s LYS 81 N 0.00 3.74 0.44 1.61 -2.85 -1.26 -4.94 119.74 116.48 2k4w s LYS 81 Ca 0.00 1.04 -0.20 0.00 -1.00 0.00 0.00 55.97 55.81 2k4w s LYS 81 Cb 0.00 -2.10 -0.10 0.00 -2.06 0.00 0.00 37.83 33.56 2k4w s LYS 81 CO 0.00 -0.45 0.96 -1.58 0.10 0.00 0.00 175.35 174.38 2k4w s HIS 82 N -2.56 3.31 0.00 1.78 5.65 -1.26 -2.71 115.29 119.49 2k4w s HIS 82 Ca 0.60 1.59 0.00 0.00 0.25 0.00 0.00 55.06 57.51 2k4w s HIS 82 Cb -0.12 -2.86 0.00 0.00 -1.18 0.00 0.00 32.58 28.42 2k4w s HIS 82 CO 0.33 -0.19 0.00 -1.91 -0.65 0.00 0.00 174.74 172.32 2k4w n GLU 83 N -0.77 0.36 0.00 2.88 2.13 -1.26 -4.43 120.64 119.55 2k4w n GLU 83 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2k4w n GLU 83 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4w n GLY 84 N 4.85 -0.65 0.00 8.31 0.00 -1.26 -4.33 105.19 112.11 2k4w n GLY 84 Ca 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 0.02 -3.80 1.61 -0.04 -1.26 -4.92 135.00 126.60 2k4w n PRO 85 Ca 0.00 0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 2k4w n PRO 85 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.01 3.24 0.54 -1.05 -1.26 -5.15 118.70 113.05 2k4w s GLU 86 Ca 0.14 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2k4w s GLU 86 Cb 0.18 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2k4w s GLU 86 CO 0.50 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.66 2k4w n GLY 87 N -0.61 0.51 3.64 -3.83 0.00 -1.26 -4.93 105.19 98.72 2k4w n GLY 87 Ca -0.04 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 0.59 0.00 1.61 -0.44 -1.26 -5.03 119.66 115.13 2k4w s GLN 88 Ca 0.00 0.82 0.00 0.00 -2.50 0.00 0.00 55.36 53.68 2k4w s GLN 88 Cb 0.00 0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.59 2k4w s GLN 88 CO 0.00 -0.09 0.00 0.41 0.50 0.00 0.00 175.29 176.11 2k4w n GLY 89 N 3.06 5.38 3.74 2.59 0.00 -1.26 -4.73 105.19 113.96 2k4w n GLY 89 Ca -0.16 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 2.95 3.61 -0.70 1.61 3.76 -1.10 -4.73 115.29 120.69 2k4w s HIS 90 Ca 0.00 1.62 0.21 0.00 -0.15 0.00 0.00 55.06 56.74 2k4w s HIS 90 Cb 0.00 -3.26 0.86 0.00 1.11 0.00 0.00 32.58 31.29 2k4w s HIS 90 CO 0.00 -0.54 1.64 1.47 -0.85 0.00 0.00 174.74 176.46 2k4w n LEU 91 N 2.26 0.42 -0.57 0.89 -0.00 -1.20 -3.38 117.00 115.42 2k4w n LEU 91 Ca 0.02 0.59 0.01 0.00 -0.00 0.00 0.00 56.01 56.63 2k4w n LEU 91 Cb 0.46 -0.53 0.04 0.00 -0.00 0.00 0.00 43.42 43.40 2k4w n LEU 91 CO 0.54 -0.40 0.35 0.61 -0.00 0.00 0.00 177.39 178.48 2k4w n GLY 92 N 0.17 1.31 3.54 1.47 0.00 -0.80 -4.84 105.19 106.04 2k4w n GLY 92 Ca 0.03 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.22 4.85 0.08 1.61 1.01 -1.22 -1.01 116.67 121.77 2k4w s ASP 93 Ca 0.06 -0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.28 2k4w s ASP 93 Cb 0.04 -1.64 -0.03 0.00 1.01 0.00 0.00 42.92 42.30 2k4w s ASP 93 CO 0.02 0.23 -0.09 -0.76 0.21 0.00 0.00 175.17 174.78 2k4w s LEU 94 N -0.02 2.37 0.85 1.23 1.02 -0.12 -4.99 118.68 119.02 2k4w s LEU 94 Ca 0.01 -0.76 -0.11 0.00 0.02 0.00 0.00 54.13 53.29 2k4w s LEU 94 Cb -0.13 -0.24 0.10 0.00 0.02 0.00 0.00 46.19 45.94 2k4w s LEU 94 CO 0.03 -0.27 1.09 -2.16 0.02 0.00 0.00 176.35 175.06 2k4w s PRO 95 N -2.55 1.63 -0.17 1.29 0.04 -1.26 -3.54 135.00 130.43 2k4w s PRO 95 Ca 0.02 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 2k4w s PRO 95 Cb -0.04 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2k4w s PRO 95 CO -0.01 -1.99 1.27 0.08 0.04 0.00 0.00 177.00 176.39 2k4w s VAL 96 N -2.97 4.26 -0.92 -0.36 1.01 -1.26 -4.21 120.40 115.95 2k4w s VAL 96 Ca 0.62 1.52 -0.25 0.00 0.00 0.00 0.00 61.98 63.87 2k4w s VAL 96 Cb -0.17 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 2k4w s VAL 96 CO 0.56 -0.16 2.18 -0.22 0.00 0.00 0.00 175.10 177.46 2k4w s LEU 97 N 3.58 2.87 0.52 3.92 1.98 0.18 -4.78 118.68 126.95 2k4w s LEU 97 Ca 0.55 -0.52 -0.21 0.00 -2.89 0.00 0.00 54.13 51.06 2k4w s LEU 97 Cb -0.21 -2.57 -0.06 0.00 0.66 0.00 0.00 46.19 44.01 2k4w s LEU 97 CO 0.15 -3.65 1.22 -0.69 -1.89 0.00 0.00 176.35 171.50 2k4w s VAL 98 N 13.52 2.72 0.11 1.68 1.01 -1.26 -0.70 120.40 137.48 2k4w s VAL 98 Ca 0.82 0.51 0.09 0.00 0.00 0.00 0.00 61.98 63.39 2k4w s VAL 98 Cb -0.08 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2k4w s VAL 98 CO 0.08 -0.04 -0.21 -0.69 0.00 0.00 0.00 175.10 174.24 2k4w s VAL 99 N -1.51 1.77 0.65 2.92 1.01 -1.26 -4.51 120.40 119.47 2k4w s VAL 99 Ca 0.70 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2k4w s VAL 99 Cb -0.32 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2k4w s VAL 99 CO 0.37 -0.05 1.04 0.54 0.00 0.00 0.00 175.10 177.00 2k4w s ASN 100 N -1.95 5.94 0.32 3.32 2.20 -0.56 -4.56 114.94 119.66 2k4w s ASN 100 Ca 0.07 1.46 0.15 0.00 -0.94 0.00 0.00 52.86 53.60 2k4w s ASN 100 Cb -0.10 -2.45 0.79 0.00 -2.00 0.00 0.00 41.25 37.49 2k4w s ASN 100 CO 0.04 -1.06 1.36 -0.46 -2.94 0.00 0.00 177.10 174.04 2k4w n ASN 101 N -2.87 0.38 -0.34 3.54 2.04 -1.24 -1.30 115.26 115.45 2k4w n ASN 101 Ca 0.06 0.59 0.11 0.00 -0.44 0.00 0.00 54.58 54.91 2k4w n ASN 101 Cb 0.54 -0.56 0.09 0.00 -2.53 0.00 0.00 39.78 37.32 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2k4w n ASP 102 N -2.08 1.56 0.00 0.53 2.03 -1.26 -4.79 116.55 112.54 2k4w n ASP 102 Ca -0.01 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 54.08 2k4w n ASP 102 Cb 0.26 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 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 0.93 3.46 0.27 0.00 -0.42 -4.94 105.19 105.90 2k4w n GLY 103 Ca 0.09 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 3.43 -0.01 -0.61 1.01 -1.26 -1.64 121.20 120.12 2k4w s ILE 104 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 2k4w s ILE 104 Cb 0.00 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2k4w s ILE 104 CO 0.00 0.53 0.05 0.00 0.00 0.00 0.00 174.94 175.52 2k4w s ALA 105 N 0.07 3.46 0.00 9.38 0.00 -0.04 -1.50 121.76 133.13 2k4w s ALA 105 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2k4w s ALA 105 Cb -0.14 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2k4w s ALA 105 CO 0.04 0.67 0.00 -2.37 0.00 0.00 0.00 175.76 174.09 2k4w n THR 106 N 1.35 0.00 -2.16 0.00 5.66 -1.26 -3.81 114.28 114.06 2k4w n THR 106 Ca -0.14 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.43 2k4w n THR 106 Cb 0.53 0.62 -0.02 0.00 -1.55 0.00 0.00 70.33 69.90 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 4.09 0.41 1.09 8.01 -1.26 -4.48 118.70 126.56 2k4w s GLU 107 Ca 0.00 1.88 -0.23 0.00 0.01 0.00 0.00 54.97 56.63 2k4w s GLU 107 Cb 0.00 -3.94 -0.09 0.00 -4.31 0.00 0.00 34.13 25.80 2k4w s GLU 107 CO 0.00 -0.93 1.05 -1.25 0.01 0.00 0.00 175.26 174.14 2k4w s PRO 108 N 4.06 4.10 0.28 0.39 0.04 -1.26 -4.36 135.00 138.25 2k4w s PRO 108 Ca 0.67 1.49 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2k4w s PRO 108 Cb -0.27 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2k4w s PRO 108 CO 0.25 -0.20 0.20 0.14 0.04 0.00 0.00 177.00 177.44 2k4w s VAL 109 N -1.72 0.06 -0.15 -0.36 -7.23 -0.13 -5.02 120.40 105.85 2k4w s VAL 109 Ca 0.60 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.67 2k4w s VAL 109 Cb -0.21 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.28 2k4w s VAL 109 CO 0.26 0.00 0.38 -0.89 -0.31 0.00 0.00 175.10 174.54 2k4w s THR 110 N -3.72 -0.02 -0.42 5.32 2.01 -1.26 -0.08 115.64 117.47 2k4w s THR 110 Ca 0.39 0.07 -0.10 0.00 0.31 0.00 0.00 61.69 62.37 2k4w s THR 110 Cb 0.04 -0.56 0.07 0.00 0.01 0.00 0.00 72.50 72.07 2k4w s THR 110 CO 0.20 0.03 0.26 0.00 -0.69 0.00 0.00 174.62 174.42 2k4w s ALA 111 N 1.00 3.29 -0.47 7.40 0.00 -0.59 -4.72 121.76 127.68 2k4w s ALA 111 Ca -0.06 -2.10 0.26 0.00 0.00 0.00 0.00 51.96 50.05 2k4w s ALA 111 Cb -0.07 -2.66 0.91 0.00 0.00 0.00 0.00 23.12 21.30 2k4w s ALA 111 CO -0.08 -1.62 1.76 -1.00 0.00 0.00 0.00 175.76 174.82 2k4w h PRO 112 N 8.42 0.00 -0.39 0.00 0.13 -1.87 -1.93 132.00 136.36 2k4w h PRO 112 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 2k4w h PRO 112 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2k4w h PRO 112 CO 0.75 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.48 2k4w h ARG 113 N 0.00 0.72 -7.11 0.86 3.08 -1.92 -3.38 114.38 106.64 2k4w h ARG 113 Ca 0.00 -0.25 -0.48 0.00 0.07 0.00 0.00 59.98 59.32 2k4w h ARG 113 Cb 0.59 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.62 2k4w h ARG 113 CO 0.00 0.83 0.38 -0.51 -1.07 0.00 0.00 179.97 179.61 2k4w s LEU 114 N -9.35 3.76 -0.32 3.04 2.01 -1.26 -5.03 118.68 111.53 2k4w s LEU 114 Ca -0.13 1.89 0.18 0.00 0.01 0.00 0.00 54.13 56.08 2k4w s LEU 114 Cb 0.10 -4.55 0.46 0.00 0.01 0.00 0.00 46.19 42.21 2k4w s LEU 114 CO 0.80 -0.87 1.10 0.29 1.01 0.00 0.00 176.35 178.68 2k4w n LYS 115 N -1.24 1.33 0.00 1.70 4.76 -1.26 -4.45 118.16 119.01 2k4w n LYS 115 Ca 0.09 -2.97 0.00 0.00 -2.87 0.00 0.00 58.31 52.56 2k4w n LYS 115 Cb 0.53 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 2k4w n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k4w n SER 116 N -0.40 0.00 -0.18 4.39 7.64 -1.26 -4.95 113.62 118.86 2k4w n SER 116 Ca 0.05 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.11 2k4w n SER 116 Cb 0.82 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 64.57 2k4w n SER 116 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k4w h LEU 117 N 0.00 0.32 -2.04 -3.43 -0.00 -1.98 -2.36 115.31 105.82 2k4w h LEU 117 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 2k4w h LEU 117 Cb 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2k4w h LEU 117 CO 0.00 0.15 0.33 0.44 -0.00 0.00 0.00 178.44 179.36 2k4w h ASP 118 N 0.33 0.00 0.66 -0.43 3.32 -2.00 0.88 116.42 119.17 2k4w h ASP 118 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2k4w h ASP 118 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2k4w h ASP 118 CO -0.12 0.00 -1.04 -1.84 -1.72 0.00 0.00 179.24 174.52 2k4w n GLU 119 N -3.03 0.43 0.00 3.56 0.28 -0.89 -4.53 120.64 116.47 2k4w n GLU 119 Ca -0.01 0.04 0.03 0.00 -0.16 0.00 0.00 57.16 57.05 2k4w n GLU 119 Cb 0.40 -1.68 0.01 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.26 0.00 0.26 3.84 0.24 0.15 -4.78 118.33 115.78 2k4w n VAL 120 Ca 0.01 -0.48 0.03 0.00 -2.04 0.00 0.00 64.34 61.86 2k4w n VAL 120 Cb 0.49 1.09 0.15 0.00 -1.47 0.00 0.00 33.84 34.10 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 0.06 0.04 0.00 7.34 0.00 -0.29 -1.76 118.16 123.54 2k4w n LYS 121 Ca 0.03 0.33 0.08 0.00 -0.00 0.00 0.00 58.31 58.74 2k4w n LYS 121 Cb 0.12 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.59 2k4w n LYS 121 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k4w n ASP 122 N -1.42 1.08 -4.98 -5.58 2.03 -1.26 -3.75 116.55 102.67 2k4w n ASP 122 Ca 0.02 -1.04 -0.20 0.00 0.52 0.00 0.00 54.79 54.09 2k4w n ASP 122 Cb 0.07 0.81 0.02 0.00 -0.72 0.00 0.00 41.12 41.30 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 -2.31 2.78 0.19 -0.67 1.02 -0.72 -4.26 119.74 115.76 2k4w s LYS 123 Ca 0.09 -0.91 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2k4w s LYS 123 Cb 0.13 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2k4w s LYS 123 CO 0.57 -0.42 0.24 0.00 -0.92 0.00 0.00 175.35 174.82 2k4w s ALA 124 N -2.53 3.76 0.10 5.17 0.00 -0.11 -0.96 121.76 127.20 2k4w s ALA 124 Ca 0.54 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2k4w s ALA 124 Cb -0.10 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2k4w s ALA 124 CO 0.36 0.42 -0.11 -0.48 0.00 0.00 0.00 175.76 175.94 2k4w s LEU 125 N -3.45 2.40 -0.00 0.00 0.05 -0.20 -1.28 118.68 116.20 2k4w s LEU 125 Ca 0.33 -0.81 0.01 0.00 0.05 0.00 0.00 54.13 53.72 2k4w s LEU 125 Cb -0.10 -0.38 -0.00 0.00 -2.05 0.00 0.00 46.19 43.66 2k4w s LEU 125 CO 0.26 -0.22 -0.05 -0.04 -0.55 0.00 0.00 176.35 175.75 2k4w s MET 126 N -2.73 0.40 -0.25 1.48 -1.94 -0.53 -0.80 119.30 114.92 2k4w s MET 126 Ca 0.06 -0.17 -0.15 0.00 -1.71 0.00 0.00 55.69 53.72 2k4w s MET 126 Cb -0.04 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 2k4w s MET 126 CO 0.01 0.10 0.39 0.42 -0.01 0.00 0.00 175.02 175.93 2k4w s ILE 127 N -0.09 5.17 0.04 2.53 1.01 0.33 -2.44 121.20 127.75 2k4w s ILE 127 Ca 0.02 0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.36 2k4w s ILE 127 Cb -0.02 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2k4w s ILE 127 CO -0.00 0.18 -0.13 -1.00 0.00 0.00 0.00 174.94 173.99 2k4w s HIS 128 N 1.86 2.69 0.44 3.97 3.76 -0.08 -0.80 115.29 127.12 2k4w s HIS 128 Ca 0.17 -0.17 0.09 0.00 -0.15 0.00 0.00 55.06 55.00 2k4w s HIS 128 Cb -0.15 -1.50 0.97 0.00 1.11 0.00 0.00 32.58 33.00 2k4w s HIS 128 CO 0.09 0.32 2.08 0.28 -0.85 0.00 0.00 174.74 176.67 2k4w h VAL 129 N 3.76 1.08 -2.84 -0.90 2.07 0.14 -2.88 116.25 116.68 2k4w h VAL 129 Ca -0.48 -0.14 -0.46 0.00 0.82 0.00 0.00 66.70 66.43 2k4w h VAL 129 Cb 1.16 0.63 -0.14 0.00 -1.52 0.00 0.00 31.29 31.42 2k4w h VAL 129 CO 0.50 0.07 -0.64 -0.83 0.02 0.00 0.00 177.57 176.70 2k4w s GLY 130 N -3.79 1.90 0.88 2.17 0.00 -0.61 -4.78 107.32 103.09 2k4w s GLY 130 Ca -0.07 -1.96 -0.11 0.00 0.00 0.00 0.00 44.72 42.58 2k4w s GLY 130 CO 0.71 -1.80 1.09 -0.32 0.00 0.00 0.00 173.10 172.79 2k4w s GLY 131 N -3.44 1.63 -0.03 0.20 0.00 -1.25 -0.82 107.32 103.62 2k4w s GLY 131 Ca 0.32 0.05 0.07 0.00 0.00 0.00 0.00 44.72 45.16 2k4w s GLY 131 CO 0.13 0.51 1.13 1.34 0.00 0.00 0.00 173.10 176.20 2k4w n ASP 132 N -3.85 2.47 0.01 1.64 2.03 -1.26 -4.60 116.55 112.99 2k4w n ASP 132 Ca 0.08 -2.21 0.08 0.00 0.52 0.00 0.00 54.79 53.26 2k4w n ASP 132 Cb 0.54 -0.16 0.35 0.00 -0.72 0.00 0.00 41.12 41.14 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k4w n ASN 133 N -0.30 0.07 -4.29 1.67 6.94 -1.26 -4.61 115.26 113.48 2k4w n ASN 133 Ca 0.07 0.52 -0.43 0.00 -0.02 0.00 0.00 54.58 54.72 2k4w n ASN 133 Cb 0.40 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 2k4w n ASN 133 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2k4w n MET 134 N -1.57 3.11 -1.30 -3.83 2.81 -1.26 -4.57 117.12 110.51 2k4w n MET 134 Ca 0.04 -3.09 -0.15 0.00 -1.81 0.00 0.00 57.70 52.68 2k4w n MET 134 Cb 0.19 -3.40 0.10 0.00 -0.71 0.00 0.00 33.22 29.40 2k4w n MET 134 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k4w n SER 135 N 7.44 0.32 0.00 7.83 2.88 -1.26 -0.81 113.62 130.02 2k4w n SER 135 Ca 0.49 -1.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 2k4w n SER 135 Cb 0.43 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2k4w n SER 135 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k4w n ASP 136 N -3.27 0.00 -4.77 -3.46 8.00 -1.26 -4.85 116.55 106.94 2k4w n ASP 136 Ca 0.09 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.22 2k4w n ASP 136 Cb 0.32 -0.84 0.01 0.00 -0.02 0.00 0.00 41.12 40.59 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k4w s GLN 137 N 0.00 3.51 0.45 -1.24 -0.21 -1.26 -4.96 119.66 115.95 2k4w s GLN 137 Ca 0.00 1.84 0.24 0.00 0.02 0.00 0.00 55.36 57.45 2k4w s GLN 137 Cb 0.00 -2.27 1.06 0.00 1.00 0.00 0.00 33.01 32.79 2k4w s GLN 137 CO 0.00 -0.77 1.90 -1.00 -2.12 0.00 0.00 175.29 173.29 2k4w h PRO 138 N 1.71 0.00 -3.59 2.91 0.13 -2.00 -2.86 132.00 128.30 2k4w h PRO 138 Ca -0.50 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.88 2k4w h PRO 138 Cb 1.26 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.09 2k4w h PRO 138 CO 0.59 0.22 0.08 0.15 -0.23 0.00 0.00 178.00 178.81 2k4w s LYS 139 N -3.87 3.52 0.71 0.86 1.02 -1.26 -5.10 119.74 115.62 2k4w s LYS 139 Ca -0.01 -2.89 -0.15 0.00 0.02 0.00 0.00 55.97 52.94 2k4w s LYS 139 Cb 0.12 -4.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.22 2k4w s LYS 139 CO 0.63 -1.25 1.18 -1.25 -0.92 0.00 0.00 175.35 173.74 2k4w s PRO 140 N -0.65 2.34 0.00 -1.68 0.04 -1.08 -2.21 135.00 131.76 2k4w s PRO 140 Ca 0.24 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2k4w s PRO 140 Cb -0.11 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2k4w s PRO 140 CO -0.09 -1.66 0.00 1.28 0.04 0.00 0.00 177.00 176.58 2k4w n LEU 141 N -2.60 0.72 -0.60 -3.56 7.99 0.01 -3.73 117.00 115.23 2k4w n LEU 141 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 56.05 2k4w n LEU 141 Cb 0.51 -1.55 -0.03 0.00 -0.11 0.00 0.00 43.42 42.23 2k4w n LEU 141 CO 0.47 -0.56 -0.07 0.61 -1.51 0.00 0.00 177.39 176.33 2k4w n GLY 142 N -0.97 0.83 2.71 -0.72 0.00 -0.94 -0.72 105.19 105.38 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 -0.20 2.69 0.20 -0.02 0.00 -1.24 -4.89 105.19 101.72 2k4w n GLY 143 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 2k4w n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 144 N 0.00 0.00 0.99 -0.02 0.00 -1.24 -2.48 103.07 100.32 2k4w h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k4w h GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2k4w n GLY 145 N -0.35 -0.53 3.78 4.60 0.00 -1.20 -0.81 105.19 110.69 2k4w n GLY 145 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.49 0.19 2.61 -4.23 -0.94 -4.85 115.64 109.92 2k4w s THR 146 Ca 0.25 0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 2k4w s THR 146 Cb 0.12 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.83 2k4w s THR 146 CO 0.20 -0.63 0.46 0.00 -0.54 0.00 0.00 174.62 174.10 2k4w s ARG 147 N -4.97 3.68 -0.13 3.99 1.04 -1.26 -0.30 118.95 121.00 2k4w s ARG 147 Ca 0.60 0.04 0.03 0.00 -1.04 0.00 0.00 55.73 55.36 2k4w s ARG 147 Cb -0.16 -2.75 -0.10 0.00 -2.04 0.00 0.00 34.95 29.90 2k4w s ARG 147 CO 0.56 0.38 -0.09 0.98 -0.04 0.00 0.00 175.30 177.09 2k4w n TYR 148 N -0.14 0.00 -4.04 5.89 9.36 0.02 -4.68 117.16 123.56 2k4w n TYR 148 Ca -0.01 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.12 2k4w n TYR 148 Cb 0.52 -0.54 -0.11 0.00 -0.63 0.00 0.00 39.34 38.59 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 -2.28 0.35 0.02 2.98 0.00 -0.96 -1.92 121.76 119.95 2k4w s ALA 149 Ca -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2k4w s ALA 149 Cb 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2k4w s ALA 149 CO 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 175.76 175.82 2k4w s GLY 151 N -1.12 -0.23 -0.12 0.00 0.00 0.02 -0.81 107.32 105.04 2k4w s GLY 151 Ca -0.11 1.24 -0.25 0.00 0.00 0.00 0.00 44.72 45.60 2k4w s GLY 151 CO -0.01 1.90 0.78 0.14 0.00 0.00 0.00 173.10 175.92 2k4w s VAL 152 N 2.04 4.95 0.28 1.40 1.01 -1.26 -1.04 120.40 127.78 2k4w s VAL 152 Ca -0.04 1.56 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 2k4w s VAL 152 Cb -0.11 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 2k4w s VAL 152 CO -0.11 0.12 0.91 -0.63 0.00 0.00 0.00 175.10 175.39 2k4w s ILE 153 N 1.60 4.22 -2.72 2.22 1.01 -0.13 -4.74 121.20 122.66 2k4w s ILE 153 Ca 0.38 1.84 0.26 0.00 0.00 0.00 0.00 60.65 63.14 2k4w s ILE 153 Cb -0.17 -4.10 0.39 0.00 0.01 0.00 0.00 42.46 38.60 2k4w s ILE 153 CO 0.15 0.28 1.54 0.29 0.00 0.00 0.00 174.94 177.20