#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4w s SER 2 N 0.00 -0.52 -0.17 0.00 0.01 -1.26 -2.40 113.70 109.35 2k4w s SER 2 Ca 0.00 0.63 -0.08 0.00 1.31 0.00 0.00 55.95 57.81 2k4w s SER 2 Cb 0.00 0.60 0.07 0.00 0.21 0.00 0.00 66.02 66.90 2k4w s SER 2 CO 0.00 -0.49 0.40 -0.70 0.41 0.00 0.00 173.24 172.85 2k4w s GLU 3 N -0.95 0.35 -0.56 12.44 2.56 0.48 -5.00 118.70 128.02 2k4w s GLU 3 Ca -0.10 0.83 -0.10 0.00 0.00 0.00 0.00 54.97 55.60 2k4w s GLU 3 Cb -0.02 0.05 0.14 0.00 2.00 0.00 0.00 34.13 36.30 2k4w s GLU 3 CO 0.07 -0.19 0.45 0.21 -0.56 0.00 0.00 175.26 175.24 2k4w s LYS 4 N 1.72 2.75 -0.09 4.30 2.20 -1.26 -0.79 119.74 128.58 2k4w s LYS 4 Ca -0.07 -1.95 -0.19 0.00 -0.36 0.00 0.00 55.97 53.39 2k4w s LYS 4 Cb -0.10 -4.05 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 2k4w s LYS 4 CO -0.12 -1.23 0.53 0.14 -0.36 0.00 0.00 175.35 174.31 2k4w s VAL 5 N 1.05 5.12 -0.56 4.02 -7.23 0.04 -4.82 120.40 118.02 2k4w s VAL 5 Ca 0.08 1.08 -0.27 0.00 -1.81 0.00 0.00 61.98 61.06 2k4w s VAL 5 Cb -0.24 -3.87 -0.01 0.00 0.56 0.00 0.00 36.38 32.82 2k4w s VAL 5 CO -0.02 0.34 1.71 -0.83 -0.31 0.00 0.00 175.10 175.99 2k4w s GLY 6 N 0.46 0.51 -0.03 2.32 0.00 -1.26 -0.17 107.32 109.14 2k4w s GLY 6 Ca 0.29 -0.53 -0.25 0.00 0.00 0.00 0.00 44.72 44.23 2k4w s GLY 6 CO 0.13 3.20 0.75 1.06 0.00 0.00 0.00 173.10 178.24 2k4w s MET 7 N 6.35 4.46 0.02 2.90 -1.94 -1.18 -4.70 119.30 125.22 2k4w s MET 7 Ca 0.64 0.99 0.04 0.00 -1.71 0.00 0.00 55.69 55.65 2k4w s MET 7 Cb -0.14 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 2k4w s MET 7 CO 0.24 0.11 -0.06 1.21 -0.01 0.00 0.00 175.02 176.50 2k4w s ASN 8 N 0.61 4.67 -1.42 3.03 3.84 0.63 -4.58 114.94 121.72 2k4w s ASN 8 Ca 0.40 -0.16 -0.11 0.00 0.21 0.00 0.00 52.86 53.20 2k4w s ASN 8 Cb -0.19 -1.08 -0.06 0.00 -0.55 0.00 0.00 41.25 39.37 2k4w s ASN 8 CO 0.21 0.26 2.62 0.18 -2.79 0.00 0.00 177.10 177.57 2k4w n LEU 9 N 1.36 7.47 -4.67 3.21 4.77 -0.19 -1.59 117.00 127.37 2k4w n LEU 9 Ca -0.15 -3.98 -0.46 0.00 -0.03 0.00 0.00 56.01 51.39 2k4w n LEU 9 Cb 0.52 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.10 2k4w n LEU 9 CO 0.32 1.50 1.16 1.33 -1.33 0.00 0.00 177.39 180.36 2k4w n VAL 10 N 4.12 0.16 -2.79 4.08 0.24 -1.26 -4.25 118.33 118.63 2k4w n VAL 10 Ca 0.66 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.84 2k4w n VAL 10 Cb 0.25 -1.51 0.03 0.00 -1.47 0.00 0.00 33.84 31.15 2k4w n VAL 10 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2k4w n THR 11 N 3.13 -0.06 0.00 3.34 5.66 -0.92 -4.78 114.28 120.66 2k4w n THR 11 Ca 0.16 -1.56 0.00 0.00 -3.05 0.00 0.00 64.05 59.60 2k4w n THR 11 Cb 0.29 1.17 0.00 0.00 -1.55 0.00 0.00 70.33 70.24 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 1.92 0.00 1.50 1.79 0.00 -1.26 -4.41 120.51 120.04 2k4w n ALA 12 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2k4w n ALA 12 Cb 0.61 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.31 2k4w n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4w n GLN 13 N 0.00 0.75 0.00 0.00 3.00 -1.26 -4.74 117.38 115.13 2k4w n GLN 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k4w n GLN 13 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 30.24 29.06 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 14 N 0.34 -1.53 3.60 1.08 0.00 -1.26 -4.85 105.19 102.57 2k4w n GLY 14 Ca 0.06 -1.53 -0.60 0.00 0.00 0.00 0.00 46.02 43.95 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 0.03 0.04 1.61 0.31 -1.25 -2.15 118.33 116.91 2k4w n VAL 15 Ca 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2k4w n VAL 15 Cb 0.00 -0.38 -0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2k4w n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4w n GLY 16 N 2.55 -0.05 3.59 2.92 0.00 -1.26 -4.95 105.19 107.99 2k4w n GLY 16 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 2k4w n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 17 N -2.01 0.34 -0.04 1.61 -2.07 -1.26 -5.00 119.66 111.22 2k4w s GLN 17 Ca -0.01 -0.13 -0.19 0.00 -1.82 0.00 0.00 55.36 53.21 2k4w s GLN 17 Cb 0.00 0.15 0.04 0.00 -1.09 0.00 0.00 33.01 32.11 2k4w s GLN 17 CO 0.02 -0.15 0.43 0.45 -1.32 0.00 0.00 175.29 174.71 2k4w s SER 18 N -2.21 -0.35 -0.36 12.60 0.15 -1.26 -1.02 113.70 121.24 2k4w s SER 18 Ca 0.09 0.36 0.13 0.00 0.70 0.00 0.00 55.95 57.24 2k4w s SER 18 Cb -0.01 0.45 0.38 0.00 -1.71 0.00 0.00 66.02 65.14 2k4w s SER 18 CO -0.05 -0.45 0.84 0.00 1.20 0.00 0.00 173.24 174.78 2k4w n ILE 19 N 1.39 0.20 -0.78 6.45 3.06 -1.26 -5.07 119.36 123.34 2k4w n ILE 19 Ca -0.20 -3.87 0.00 0.00 -2.50 0.00 0.00 62.75 56.18 2k4w n ILE 19 Cb 0.56 0.15 0.00 0.00 0.54 0.00 0.00 39.64 40.90 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k4w n GLY 20 N 0.16 -2.30 3.81 4.50 0.00 -1.26 -2.74 105.19 107.36 2k4w n GLY 20 Ca 0.18 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 2k4w n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 21 N -2.21 1.45 -0.05 2.61 -4.23 -1.26 -3.12 115.64 108.82 2k4w s THR 21 Ca 0.00 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 2k4w s THR 21 Cb 0.00 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2k4w s THR 21 CO 0.00 0.00 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.24 2k4w s VAL 22 N -2.81 1.32 -0.26 2.29 1.01 0.76 -3.06 120.40 119.64 2k4w s VAL 22 Ca 0.20 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 2k4w s VAL 22 Cb 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2k4w s VAL 22 CO 0.12 0.39 0.73 0.54 0.00 0.00 0.00 175.10 176.87 2k4w s VAL 23 N 0.27 4.90 -0.30 2.92 0.11 -0.17 -0.78 120.40 127.35 2k4w s VAL 23 Ca -0.08 1.29 -0.10 0.00 -2.93 0.00 0.00 61.98 60.15 2k4w s VAL 23 Cb -0.13 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2k4w s VAL 23 CO 0.03 -0.06 0.17 -0.63 -3.33 0.00 0.00 175.10 171.29 2k4w s ILE 24 N 2.70 4.95 -0.14 7.04 1.01 0.03 -0.61 121.20 136.18 2k4w s ILE 24 Ca 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.84 2k4w s ILE 24 Cb -0.15 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.89 2k4w s ILE 24 CO 0.09 0.15 -0.22 -0.62 0.00 0.00 0.00 174.94 174.34 2k4w s ASP 25 N 1.69 3.15 -0.04 3.58 2.15 -0.19 -0.39 116.67 126.61 2k4w s ASP 25 Ca 0.06 -0.59 -0.24 0.00 0.43 0.00 0.00 52.55 52.21 2k4w s ASP 25 Cb -0.16 -1.45 -0.04 0.00 -0.30 0.00 0.00 42.92 40.96 2k4w s ASP 25 CO 0.08 0.09 0.71 -1.83 -0.17 0.00 0.00 175.17 174.05 2k4w s GLU 26 N 0.78 4.44 0.35 4.34 -1.05 -1.01 -0.59 118.70 125.97 2k4w s GLU 26 Ca -0.08 0.92 -0.02 0.00 -0.15 0.00 0.00 54.97 55.64 2k4w s GLU 26 Cb -0.16 -3.43 0.01 0.00 -0.44 0.00 0.00 34.13 30.11 2k4w s GLU 26 CO -0.01 0.11 0.50 -2.37 0.95 0.00 0.00 175.26 174.44 2k4w n THR 27 N 3.57 0.00 1.28 1.83 5.66 0.01 -4.42 114.28 122.21 2k4w n THR 27 Ca -0.02 -1.77 0.12 0.00 -3.05 0.00 0.00 64.05 59.34 2k4w n THR 27 Cb 0.51 1.10 0.66 0.00 -1.55 0.00 0.00 70.33 71.04 2k4w n THR 27 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k4w n GLU 28 N -0.58 0.46 -0.30 1.09 0.28 -1.26 -0.45 120.64 119.89 2k4w n GLU 28 Ca 0.00 0.04 0.10 0.00 -0.16 0.00 0.00 57.16 57.14 2k4w n GLU 28 Cb 0.59 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.23 2k4w n GLU 28 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 29 N 0.76 1.80 5.21 -1.84 0.00 -1.26 -5.06 105.19 104.80 2k4w n GLY 29 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.46 -0.02 3.57 -0.02 0.00 0.40 -2.51 105.19 108.08 2k4w n GLY 30 Ca 0.20 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 3.38 -0.35 0.99 1.43 -0.68 -0.81 118.68 122.65 2k4w s LEU 31 Ca 0.00 0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 2k4w s LEU 31 Cb 0.00 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 43.22 2k4w s LEU 31 CO 0.00 -1.71 0.89 -0.75 0.23 0.00 0.00 176.35 175.01 2k4w s LYS 32 N 5.50 3.88 -0.44 1.70 2.20 0.24 -1.22 119.74 131.59 2k4w s LYS 32 Ca 0.50 0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 56.59 2k4w s LYS 32 Cb -0.10 -3.78 0.08 0.00 -1.51 0.00 0.00 37.83 32.52 2k4w s LYS 32 CO 0.24 -0.87 0.32 0.12 -0.36 0.00 0.00 175.35 174.79 2k4w s PHE 33 N 3.33 3.31 -0.34 4.03 5.36 -0.16 -1.02 117.98 132.49 2k4w s PHE 33 Ca 0.37 -1.33 -0.06 0.00 -0.96 0.00 0.00 56.93 54.95 2k4w s PHE 33 Cb -0.13 -3.07 0.05 0.00 -0.34 0.00 0.00 43.02 39.53 2k4w s PHE 33 CO 0.17 -0.84 0.10 0.99 -1.46 0.00 0.00 175.22 174.18 2k4w s THR 34 N 1.50 3.68 0.57 0.12 2.01 0.22 -1.31 115.64 122.42 2k4w s THR 34 Ca 0.03 -1.22 -0.10 0.00 0.31 0.00 0.00 61.69 60.71 2k4w s THR 34 Cb -0.24 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2k4w s THR 34 CO 0.04 -0.21 0.95 -2.16 -0.69 0.00 0.00 174.62 172.55 2k4w s PRO 35 N 1.37 3.62 0.00 4.92 0.04 -1.26 -1.00 135.00 142.69 2k4w s PRO 35 Ca -0.01 0.61 0.13 0.00 0.04 0.00 0.00 61.00 61.77 2k4w s PRO 35 Cb -0.20 -2.17 0.21 0.00 0.04 0.00 0.00 34.50 32.38 2k4w s PRO 35 CO 0.02 -0.43 1.04 -2.39 0.04 0.00 0.00 177.00 175.28 2k4w n HIS 36 N -2.48 0.00 -3.03 0.56 1.44 -1.17 -4.51 115.22 106.03 2k4w n HIS 36 Ca 0.05 -0.36 -0.39 0.00 -2.01 0.00 0.00 57.72 55.01 2k4w n HIS 36 Cb 0.54 0.05 -0.06 0.00 0.12 0.00 0.00 29.99 30.65 2k4w n HIS 36 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k4w s LEU 37 N 0.00 4.54 -0.16 2.39 1.02 -1.25 -4.68 118.68 120.54 2k4w s LEU 37 Ca 0.17 1.57 0.14 0.00 0.02 0.00 0.00 54.13 56.03 2k4w s LEU 37 Cb 0.19 -3.32 0.36 0.00 0.02 0.00 0.00 46.19 43.45 2k4w s LEU 37 CO -0.08 0.18 1.18 2.29 0.02 0.00 0.00 176.35 179.94 2k4w n LYS 38 N 1.44 1.27 -3.13 1.70 0.00 -1.11 -1.13 118.16 117.20 2k4w n LYS 38 Ca -0.05 -2.86 -0.16 0.00 -0.00 0.00 0.00 58.31 55.23 2k4w n LYS 38 Cb 0.49 -1.37 -0.05 0.00 -0.00 0.00 0.00 35.03 34.10 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k4w s ALA 39 N -2.66 -0.26 0.11 0.58 0.00 -0.92 -4.70 121.76 113.91 2k4w s ALA 39 Ca 0.34 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 2k4w s ALA 39 Cb 0.33 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 2k4w s ALA 39 CO -0.05 -2.10 0.08 -0.51 0.00 0.00 0.00 175.76 173.18 2k4w s LEU 40 N 0.55 1.82 0.16 0.00 1.02 -0.84 -5.01 118.68 116.37 2k4w s LEU 40 Ca 0.30 -1.05 -0.31 0.00 0.02 0.00 0.00 54.13 53.08 2k4w s LEU 40 Cb 0.00 0.47 -0.10 0.00 0.02 0.00 0.00 46.19 46.58 2k4w s LEU 40 CO -0.12 -0.72 1.63 -2.16 0.02 0.00 0.00 176.35 175.00 2k4w s PRO 41 N -3.98 4.19 0.00 1.29 0.04 -1.26 -4.39 135.00 130.88 2k4w s PRO 41 Ca 0.17 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2k4w s PRO 41 Cb 0.07 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2k4w s PRO 41 CO -0.03 -0.67 0.75 -0.35 0.04 0.00 0.00 177.00 176.74 2k4w n PRO 42 N 4.32 0.99 0.00 0.56 -0.04 -1.26 -4.58 135.00 134.99 2k4w n PRO 42 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2k4w n PRO 42 Cb 0.38 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.27 0.76 3.29 0.55 0.00 -1.26 -4.05 105.19 104.75 2k4w n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k4w n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4w s GLU 44 N 0.97 0.46 0.01 1.61 -1.05 -1.26 -0.59 118.70 118.85 2k4w s GLU 44 Ca 0.00 0.59 0.01 0.00 -0.15 0.00 0.00 54.97 55.43 2k4w s GLU 44 Cb 0.00 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 2k4w s GLU 44 CO 0.00 -0.07 -0.05 -1.01 0.95 0.00 0.00 175.26 175.08 2k4w s HIS 45 N 0.37 0.44 0.68 4.83 3.76 -0.37 -2.13 115.29 122.86 2k4w s HIS 45 Ca -0.01 -0.19 -0.16 0.00 -0.15 0.00 0.00 55.06 54.55 2k4w s HIS 45 Cb -0.04 -0.28 0.01 0.00 1.11 0.00 0.00 32.58 33.38 2k4w s HIS 45 CO -0.01 -0.03 1.16 0.20 -0.85 0.00 0.00 174.74 175.21 2k4w s GLY 46 N -0.50 2.33 -0.15 -2.22 0.00 0.07 0.29 107.32 107.14 2k4w s GLY 46 Ca -0.02 0.76 -0.01 0.00 0.00 0.00 0.00 44.72 45.45 2k4w s GLY 46 CO -0.00 1.14 -0.02 -0.12 0.00 0.00 0.00 173.10 174.10 2k4w s PHE 47 N -2.07 1.30 0.35 1.90 5.36 -1.26 -1.03 117.98 122.53 2k4w s PHE 47 Ca 0.72 -0.80 0.09 0.00 -0.96 0.00 0.00 56.93 55.97 2k4w s PHE 47 Cb -0.25 -1.13 -0.05 0.00 -0.34 0.00 0.00 43.02 41.24 2k4w s PHE 47 CO 0.41 -0.54 0.03 -1.01 -1.46 0.00 0.00 175.22 172.65 2k4w s HIS 48 N 1.77 2.55 0.06 10.12 3.76 -0.57 -1.64 115.29 131.34 2k4w s HIS 48 Ca 0.02 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.50 2k4w s HIS 48 Cb -0.15 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 2k4w s HIS 48 CO -0.07 0.44 0.01 0.42 -0.85 0.00 0.00 174.74 174.69 2k4w s ILE 49 N -2.54 4.13 0.26 0.60 1.01 0.32 -0.80 121.20 124.18 2k4w s ILE 49 Ca 0.35 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2k4w s ILE 49 Cb 0.01 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 2k4w s ILE 49 CO 0.20 0.20 -0.08 -1.00 0.00 0.00 0.00 174.94 174.25 2k4w s HIS 50 N -1.25 1.87 0.35 3.97 3.76 -0.85 -3.97 115.29 119.16 2k4w s HIS 50 Ca 0.24 -0.67 0.06 0.00 -0.15 0.00 0.00 55.06 54.55 2k4w s HIS 50 Cb -0.12 -1.01 0.64 0.00 1.11 0.00 0.00 32.58 33.20 2k4w s HIS 50 CO 0.16 0.29 1.86 0.00 -0.85 0.00 0.00 174.74 176.20 2k4w h ALA 51 N 2.37 1.37 -2.04 -1.40 0.00 -0.45 -3.35 119.26 115.76 2k4w h ALA 51 Ca -0.39 -0.24 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 2k4w h ALA 51 Cb 1.23 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2k4w h ALA 51 CO 0.65 0.43 -0.62 -0.80 0.00 0.00 0.00 179.25 178.92 2k4w s ASN 52 N -6.81 2.43 -0.75 0.00 0.01 0.39 -4.73 114.94 105.49 2k4w s ASN 52 Ca -0.06 -1.34 -0.16 0.00 -0.71 0.00 0.00 52.86 50.58 2k4w s ASN 52 Cb 0.15 -0.10 0.16 0.00 0.41 0.00 0.00 41.25 41.87 2k4w s ASN 52 CO 0.76 -0.56 0.78 -0.83 -1.51 0.00 0.00 177.10 175.73 2k4w s GLY 53 N -3.48 2.24 -0.41 0.66 0.00 -0.71 -2.45 107.32 103.18 2k4w s GLY 53 Ca 0.35 -2.85 0.10 0.00 0.00 0.00 0.00 44.72 42.32 2k4w s GLY 53 CO 0.15 1.46 1.02 1.44 0.00 0.00 0.00 173.10 177.17 2k4w n SER 54 N 5.18 -0.86 -1.68 1.64 7.64 -1.26 -4.85 113.62 119.42 2k4w n SER 54 Ca 0.06 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.77 2k4w n SER 54 Cb 0.45 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k4w s GLN 56 N 1.35 0.37 0.29 0.00 -1.52 -1.25 -3.95 119.66 114.94 2k4w s GLN 56 Ca 0.00 -0.35 -0.16 0.00 -1.95 0.00 0.00 55.36 52.91 2k4w s GLN 56 Cb 0.00 -0.25 -0.09 0.00 -0.22 0.00 0.00 33.01 32.45 2k4w s GLN 56 CO 0.00 0.06 0.72 -1.25 -0.25 0.00 0.00 175.29 174.57 2k4w s PRO 57 N -0.62 4.04 0.21 2.91 0.04 -0.81 -4.03 135.00 136.74 2k4w s PRO 57 Ca -0.03 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 2k4w s PRO 57 Cb -0.05 -2.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 2k4w s PRO 57 CO -0.00 0.22 1.10 0.00 0.04 0.00 0.00 177.00 178.35 2k4w s ALA 58 N -1.87 3.38 -0.51 8.56 0.00 -1.21 -4.79 121.76 125.31 2k4w s ALA 58 Ca 0.51 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 2k4w s ALA 58 Cb -0.12 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.75 2k4w s ALA 58 CO 0.18 -0.18 0.52 0.42 0.00 0.00 0.00 175.76 176.70 2k4w s ILE 59 N -0.52 5.08 -0.11 0.00 -1.09 -1.26 -0.27 121.20 123.02 2k4w s ILE 59 Ca 0.48 -0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 57.84 2k4w s ILE 59 Cb -0.30 -4.27 0.04 0.00 -1.58 0.00 0.00 42.46 36.35 2k4w s ILE 59 CO 0.36 -0.78 0.26 -0.75 -1.23 0.00 0.00 174.94 172.81 2k4w s LYS 60 N 2.04 0.26 -1.87 2.79 2.20 0.02 -4.84 119.74 120.34 2k4w s LYS 60 Ca 0.08 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2k4w s LYS 60 Cb -0.24 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.06 2k4w s LYS 60 CO 0.07 -0.12 0.00 -3.47 -0.36 0.00 0.00 175.35 171.48 2k4w n ASP 61 N 3.76 -5.07 0.00 1.43 2.03 -1.26 -2.17 116.55 115.27 2k4w n ASP 61 Ca -0.21 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2k4w n ASP 61 Cb 0.55 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 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 -0.26 0.70 2.61 0.27 0.00 -1.26 -5.07 105.19 102.18 2k4w n GLY 62 Ca -0.18 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 2k4w n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLN 63 N -2.56 0.42 -3.98 1.61 0.00 -0.92 -5.16 117.38 106.78 2k4w n GLN 63 Ca 0.00 -2.70 -0.34 0.00 0.00 0.00 0.00 57.00 53.96 2k4w n GLN 63 Cb 0.00 1.99 -0.15 0.00 0.00 0.00 0.00 30.24 32.09 2k4w n GLN 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k4w s ALA 64 N -3.03 2.66 -1.24 2.61 0.00 -1.26 -0.80 121.76 120.70 2k4w s ALA 64 Ca 0.27 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.65 2k4w s ALA 64 Cb 0.01 -1.63 0.15 0.00 0.00 0.00 0.00 23.12 21.65 2k4w s ALA 64 CO 0.19 -0.77 1.54 0.28 0.00 0.00 0.00 175.76 177.00 2k4w n VAL 65 N 4.65 4.17 0.00 0.00 0.31 0.62 -4.76 118.33 123.34 2k4w n VAL 65 Ca -0.17 -4.54 0.00 0.00 -0.01 0.00 0.00 64.34 59.62 2k4w n VAL 65 Cb 0.47 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4w n ALA 66 N 6.23 0.00 -2.75 3.52 0.00 -1.26 -1.93 120.51 124.33 2k4w n ALA 66 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 2k4w n ALA 66 Cb 0.43 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.97 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 67 N 0.00 2.68 -0.26 0.00 0.00 -1.26 -1.92 120.51 119.75 2k4w n ALA 67 Ca 0.00 -1.98 0.11 0.00 0.00 0.00 0.00 53.44 51.57 2k4w n ALA 67 Cb 0.00 -0.87 0.36 0.00 0.00 0.00 0.00 19.45 18.94 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 1.96 0.71 0.00 0.00 4.81 -1.52 -1.38 114.58 119.15 2k4w h GLU 68 Ca -0.27 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2k4w h GLU 68 Cb 1.28 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2k4w h GLU 68 CO 0.04 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2k4w n ALA 69 N -2.43 1.86 1.25 2.92 0.00 -1.26 -3.38 120.51 119.47 2k4w n ALA 69 Ca 0.16 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.68 2k4w n ALA 69 Cb 0.42 -1.23 0.70 0.00 0.00 0.00 0.00 19.45 19.34 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 70 N -1.22 2.43 0.00 0.00 0.00 -0.52 -4.74 120.51 116.45 2k4w n ALA 70 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k4w n ALA 70 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.37 -4.02 3.78 0.00 0.00 -1.22 -0.46 105.19 104.65 2k4w n GLY 71 Ca 0.11 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.22 1.65 0.00 -0.02 0.00 -1.26 -4.60 107.32 102.87 2k4w s GLY 72 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2k4w s GLY 72 CO 0.00 -0.18 1.40 1.42 0.00 0.00 0.00 173.10 175.75 2k4w n HIS 73 N -4.08 0.00 -2.53 1.90 -0.00 -1.26 -1.59 115.22 107.66 2k4w n HIS 73 Ca 0.12 -0.70 -0.05 0.00 -0.00 0.00 0.00 57.72 57.09 2k4w n HIS 73 Cb 0.59 -0.37 0.01 0.00 -0.00 0.00 0.00 29.99 30.22 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2k4w n LEU 74 N 1.17 -6.34 -3.66 2.41 7.94 -1.25 -2.60 117.00 114.67 2k4w n LEU 74 Ca 0.00 0.34 -0.06 0.00 -1.11 0.00 0.00 56.01 55.18 2k4w n LEU 74 Cb 0.44 -2.79 -0.08 0.00 0.53 0.00 0.00 43.42 41.52 2k4w n LEU 74 CO 0.00 -1.64 0.18 -0.62 -1.11 0.00 0.00 177.39 174.20 2k4w s ASP 75 N -2.28 -0.73 0.09 1.96 2.15 -1.26 -1.59 116.67 115.01 2k4w s ASP 75 Ca 0.16 1.26 0.20 0.00 0.43 0.00 0.00 52.55 54.61 2k4w s ASP 75 Cb -0.05 1.50 -0.12 0.00 -0.30 0.00 0.00 42.92 43.96 2k4w s ASP 75 CO 0.57 -0.22 0.82 -0.81 -0.17 0.00 0.00 175.17 175.36 2k4w n PRO 76 N 4.89 0.62 0.00 4.34 -0.04 -1.26 -4.77 135.00 138.79 2k4w n PRO 76 Ca -0.16 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2k4w n PRO 76 Cb 0.53 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2k4w n PRO 76 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k4w n GLN 77 N -2.69 0.00 -0.27 0.54 6.02 -1.26 -4.94 117.38 114.78 2k4w n GLN 77 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.88 2k4w n GLN 77 Cb 0.69 -0.36 0.06 0.00 1.02 0.00 0.00 30.24 31.65 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2k4w h ASN 78 N 0.00 0.88 0.00 1.08 2.35 -1.98 -3.44 115.58 114.47 2k4w h ASN 78 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2k4w h ASN 78 Cb 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.15 2k4w h ASN 78 CO 0.00 0.67 0.00 1.07 -1.65 0.00 0.00 177.43 177.52 2k4w n THR 79 N -4.53 0.00 0.00 2.81 5.66 -1.26 -4.70 114.28 112.27 2k4w n THR 79 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2k4w n THR 79 Cb 0.04 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 2.31 0.00 1.09 0.00 -1.26 -4.91 105.19 102.42 2k4w n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k4w n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4w n LYS 81 N -1.86 0.00 0.00 1.61 5.02 -1.26 -4.91 118.16 116.75 2k4w n LYS 81 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2k4w n LYS 81 Cb 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 2k4w n LYS 81 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2k4w n HIS 82 N -0.38 0.00 0.00 2.13 -0.00 -1.25 -4.98 115.22 110.73 2k4w n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k4w n HIS 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2k4w n HIS 82 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 2k4w n GLU 83 N 0.00 0.13 0.00 1.57 0.28 0.08 -4.44 120.64 118.27 2k4w n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2k4w n GLU 83 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 84 N 5.00 3.55 0.02 -1.84 0.00 -1.26 -3.78 105.19 106.88 2k4w n GLY 84 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 0.71 -0.99 1.61 -0.04 -1.25 -4.89 135.00 130.15 2k4w n PRO 85 Ca 0.00 -0.13 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 2k4w n PRO 85 Cb 0.00 -1.41 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 2k4w n PRO 85 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k4w n GLU 86 N -2.21 0.00 0.00 0.54 1.02 -1.26 -5.05 120.64 113.68 2k4w n GLU 86 Ca -0.08 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 2k4w n GLU 86 Cb 0.58 0.36 0.00 0.00 -0.02 0.00 0.00 31.44 32.36 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4w n GLY 87 N 0.06 2.11 3.57 0.62 0.00 -1.26 -4.91 105.19 105.38 2k4w n GLY 87 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 3.44 0.00 1.61 -0.44 -1.26 -4.59 119.66 118.42 2k4w s GLN 88 Ca 0.00 -1.44 0.00 0.00 -2.50 0.00 0.00 55.36 51.42 2k4w s GLN 88 Cb 0.00 -5.39 0.00 0.00 -1.64 0.00 0.00 33.01 25.98 2k4w s GLN 88 CO 0.00 -2.71 0.00 0.41 0.50 0.00 0.00 175.29 173.49 2k4w n GLY 89 N 6.00 1.55 0.16 2.59 0.00 -1.26 -3.46 105.19 110.77 2k4w n GLY 89 Ca 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2k4w n GLY 89 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4w n HIS 90 N 2.32 0.00 0.76 1.61 8.25 -1.26 -0.74 115.22 126.16 2k4w n HIS 90 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2k4w n HIS 90 Cb 0.00 -0.87 -0.02 0.00 1.12 0.00 0.00 29.99 30.22 2k4w n HIS 90 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2k4w n LEU 91 N -0.08 0.69 -1.19 2.41 -0.00 -0.62 -4.10 117.00 114.11 2k4w n LEU 91 Ca 0.00 -0.21 -0.00 0.00 -0.00 0.00 0.00 56.01 55.80 2k4w n LEU 91 Cb 0.00 -0.07 0.14 0.00 -0.00 0.00 0.00 43.42 43.49 2k4w n LEU 91 CO 0.00 0.14 0.59 0.61 -0.00 0.00 0.00 177.39 178.72 2k4w n GLY 92 N 1.43 2.35 3.63 1.47 0.00 -1.07 -4.61 105.19 108.38 2k4w n GLY 92 Ca 0.03 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 5.92 0.33 1.61 1.01 -1.26 -0.52 116.67 123.54 2k4w s ASP 93 Ca 0.23 0.06 0.09 0.00 0.71 0.00 0.00 52.55 53.64 2k4w s ASP 93 Cb 0.18 -2.06 -0.06 0.00 1.01 0.00 0.00 42.92 41.99 2k4w s ASP 93 CO 0.06 0.06 -0.04 -0.76 0.21 0.00 0.00 175.17 174.70 2k4w s LEU 94 N 1.07 2.88 0.72 1.23 2.01 -0.65 -4.95 118.68 120.98 2k4w s LEU 94 Ca 0.07 -1.04 -0.11 0.00 0.01 0.00 0.00 54.13 53.05 2k4w s LEU 94 Cb -0.14 -1.24 0.02 0.00 0.01 0.00 0.00 46.19 44.85 2k4w s LEU 94 CO 0.04 -0.19 1.07 -2.16 1.01 0.00 0.00 176.35 176.13 2k4w s PRO 95 N -3.66 2.76 0.12 1.29 0.04 -1.26 -4.28 135.00 130.02 2k4w s PRO 95 Ca 0.33 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 2k4w s PRO 95 Cb -0.00 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2k4w s PRO 95 CO 0.18 -1.18 1.27 0.14 0.04 0.00 0.00 177.00 177.46 2k4w s VAL 96 N -3.12 3.59 -1.10 -0.36 -7.23 -1.26 -4.35 120.40 106.57 2k4w s VAL 96 Ca 0.58 1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 61.74 2k4w s VAL 96 Cb -0.13 -3.77 0.03 0.00 0.56 0.00 0.00 36.38 33.07 2k4w s VAL 96 CO 0.54 0.13 1.64 -0.22 -0.31 0.00 0.00 175.10 176.88 2k4w s LEU 97 N 0.64 3.52 0.38 1.32 1.98 0.14 -4.83 118.68 121.84 2k4w s LEU 97 Ca 0.59 -1.66 -0.26 0.00 -2.89 0.00 0.00 54.13 49.90 2k4w s LEU 97 Cb -0.33 -2.57 -0.09 0.00 0.66 0.00 0.00 46.19 43.85 2k4w s LEU 97 CO 0.32 -1.70 1.24 -0.69 -1.89 0.00 0.00 176.35 173.64 2k4w s VAL 98 N 5.91 2.89 0.12 1.68 1.01 -1.26 -1.23 120.40 129.51 2k4w s VAL 98 Ca 0.53 0.80 0.09 0.00 0.00 0.00 0.00 61.98 63.41 2k4w s VAL 98 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2k4w s VAL 98 CO -0.02 0.12 -0.24 -0.69 0.00 0.00 0.00 175.10 174.28 2k4w s VAL 99 N -1.29 1.97 0.18 2.92 1.01 0.24 -4.06 120.40 121.37 2k4w s VAL 99 Ca 0.55 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 2k4w s VAL 99 Cb -0.35 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 2k4w s VAL 99 CO 0.45 -0.00 0.43 0.54 0.00 0.00 0.00 175.10 176.52 2k4w s ASN 100 N -2.00 6.50 0.00 3.32 2.20 -0.16 -4.29 114.94 120.51 2k4w s ASN 100 Ca 0.10 0.65 0.00 0.00 -0.94 0.00 0.00 52.86 52.67 2k4w s ASN 100 Cb -0.10 -2.11 0.00 0.00 -2.00 0.00 0.00 41.25 37.04 2k4w s ASN 100 CO 0.05 -0.01 0.24 -0.46 -2.94 0.00 0.00 177.10 173.99 2k4w n ASN 101 N -0.13 0.00 0.02 3.54 6.94 -1.26 -1.30 115.26 123.07 2k4w n ASN 101 Ca -0.02 0.02 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 2k4w n ASN 101 Cb 0.52 -0.02 -0.07 0.00 -2.36 0.00 0.00 39.78 37.84 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 -0.74 0.48 0.00 0.53 2.03 -1.26 -4.98 116.55 112.60 2k4w n ASP 102 Ca 0.00 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2k4w n ASP 102 Cb 0.15 1.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.78 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 1.33 1.77 3.15 0.27 0.00 -0.42 -4.99 105.19 106.30 2k4w n GLY 103 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 1.86 -0.15 -0.61 1.01 -1.16 -1.99 121.20 118.15 2k4w s ILE 104 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 2k4w s ILE 104 Cb 0.00 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2k4w s ILE 104 CO 0.00 0.51 0.90 0.00 0.00 0.00 0.00 174.94 176.35 2k4w s ALA 105 N 0.69 3.50 0.00 9.38 0.00 -0.28 -0.99 121.76 134.05 2k4w s ALA 105 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2k4w s ALA 105 Cb -0.16 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2k4w s ALA 105 CO 0.02 -0.66 0.00 -2.37 0.00 0.00 0.00 175.76 172.75 2k4w n THR 106 N 4.72 0.00 -2.72 0.00 5.66 -1.26 -3.64 114.28 117.04 2k4w n THR 106 Ca 0.06 -0.01 -0.42 0.00 -3.05 0.00 0.00 64.05 60.63 2k4w n THR 106 Cb 0.49 0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.08 4.49 -1.05 1.09 2.02 -1.26 -4.69 118.70 119.23 2k4w s GLU 107 Ca 0.00 1.37 -0.23 0.00 0.02 0.00 0.00 54.97 56.13 2k4w s GLU 107 Cb 0.00 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 2k4w s GLU 107 CO 0.00 -0.16 1.86 -1.25 0.02 0.00 0.00 175.26 175.72 2k4w s PRO 108 N 1.45 2.81 -0.23 0.39 0.04 -1.26 -4.33 135.00 133.88 2k4w s PRO 108 Ca 0.49 -0.87 -0.19 0.00 0.04 0.00 0.00 61.00 60.47 2k4w s PRO 108 Cb -0.20 -5.21 -0.03 0.00 0.04 0.00 0.00 34.50 29.11 2k4w s PRO 108 CO 0.23 -3.32 0.56 0.14 0.04 0.00 0.00 177.00 174.65 2k4w s VAL 109 N 9.15 5.06 -0.12 -0.36 -7.23 -0.43 -4.78 120.40 121.68 2k4w s VAL 109 Ca 0.65 1.01 0.03 0.00 -1.81 0.00 0.00 61.98 61.86 2k4w s VAL 109 Cb -0.03 -3.87 0.01 0.00 0.56 0.00 0.00 36.38 33.04 2k4w s VAL 109 CO 0.04 0.11 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.82 2k4w s THR 110 N 2.03 2.06 -0.27 5.32 2.01 -1.26 -0.98 115.64 124.54 2k4w s THR 110 Ca 0.25 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 2k4w s THR 110 Cb -0.16 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.58 2k4w s THR 110 CO 0.09 0.55 -0.03 0.00 -0.69 0.00 0.00 174.62 174.55 2k4w s ALA 111 N 0.63 2.76 -2.00 7.40 0.00 -0.36 -4.85 121.76 125.35 2k4w s ALA 111 Ca -0.12 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.34 2k4w s ALA 111 Cb -0.16 -1.80 0.24 0.00 0.00 0.00 0.00 23.12 21.39 2k4w s ALA 111 CO 0.02 -0.96 1.05 -0.35 0.00 0.00 0.00 175.76 175.53 2k4w n PRO 112 N 4.67 0.89 0.24 0.00 -0.04 -1.04 -1.68 135.00 138.04 2k4w n PRO 112 Ca -0.15 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2k4w n PRO 112 Cb 0.46 -1.07 0.52 0.00 -0.04 0.00 0.00 33.50 33.37 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 -4.29 0.54 2.47 -1.87 -3.45 114.38 107.78 2k4w h ARG 113 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 2k4w h ARG 113 Cb 0.00 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.17 2k4w h ARG 113 CO 0.00 0.12 -0.68 -0.51 0.56 0.00 0.00 179.97 179.46 2k4w s LEU 114 N -6.49 2.47 0.00 3.04 1.43 -1.24 -4.94 118.68 112.95 2k4w s LEU 114 Ca 0.01 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 2k4w s LEU 114 Cb 0.09 0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.48 2k4w s LEU 114 CO 0.60 -0.59 0.31 2.29 0.23 0.00 0.00 176.35 179.19 2k4w n LYS 115 N 0.09 0.00 -3.56 1.70 0.00 -1.26 -2.62 118.16 112.50 2k4w n LYS 115 Ca -0.14 -0.30 -0.13 0.00 -0.00 0.00 0.00 58.31 57.75 2k4w n LYS 115 Cb 0.61 -0.29 -0.05 0.00 -0.00 0.00 0.00 35.03 35.30 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2k4w s SER 116 N -0.01 -0.41 0.35 -5.58 1.04 -1.26 -4.24 113.70 103.59 2k4w s SER 116 Ca 0.00 0.02 0.19 0.00 0.48 0.00 0.00 55.95 56.64 2k4w s SER 116 Cb 0.00 0.50 0.39 0.00 0.10 0.00 0.00 66.02 67.02 2k4w s SER 116 CO 0.00 -0.80 1.60 -0.07 0.98 0.00 0.00 173.24 174.95 2k4w h LEU 117 N 2.54 0.00 -1.27 2.42 -0.00 -1.98 -3.36 115.31 113.67 2k4w h LEU 117 Ca -0.32 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 57.69 2k4w h LEU 117 Cb 1.24 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.83 2k4w h LEU 117 CO 0.42 0.35 0.57 -2.24 -0.00 0.00 0.00 178.44 177.55 2k4w h ASP 118 N 0.00 0.68 0.46 -0.43 2.03 -2.01 0.72 116.42 117.88 2k4w h ASP 118 Ca -0.00 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2k4w h ASP 118 Cb 1.12 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 2k4w h ASP 118 CO 0.05 0.35 0.00 -1.84 -1.03 0.00 0.00 179.24 176.77 2k4w n GLU 119 N -4.56 0.39 0.00 4.15 0.28 -1.26 -3.89 120.64 115.75 2k4w n GLU 119 Ca 0.17 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 2k4w n GLU 119 Cb 0.44 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.81 2k4w n GLU 119 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2k4w n VAL 120 N -1.27 0.25 0.61 3.84 0.31 0.20 -4.86 118.33 117.40 2k4w n VAL 120 Ca 0.13 -0.42 0.01 0.00 -0.01 0.00 0.00 64.34 64.05 2k4w n VAL 120 Cb 0.20 1.11 0.08 0.00 -0.91 0.00 0.00 33.84 34.33 2k4w n VAL 120 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2k4w n LYS 121 N -0.12 0.30 -0.17 5.55 2.85 -0.88 -2.85 118.16 122.84 2k4w n LYS 121 Ca 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.27 2k4w n LYS 121 Cb 0.20 -1.15 0.01 0.00 -0.65 0.00 0.00 35.03 33.45 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 -0.65 0.40 -4.13 -5.58 2.03 -1.26 -4.93 116.55 102.43 2k4w n ASP 122 Ca 0.02 -1.59 -0.09 0.00 0.52 0.00 0.00 54.79 53.65 2k4w n ASP 122 Cb 0.01 -0.10 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.32 0.71 0.19 -0.67 1.02 -1.13 -1.73 119.74 117.81 2k4w s LYS 123 Ca 0.02 -1.23 0.04 0.00 0.02 0.00 0.00 55.97 54.82 2k4w s LYS 123 Cb 0.02 -0.05 -0.03 0.00 -0.52 0.00 0.00 37.83 37.25 2k4w s LYS 123 CO 0.00 -0.05 0.30 0.00 -0.92 0.00 0.00 175.35 174.68 2k4w s ALA 124 N -3.51 3.90 -0.05 5.17 0.00 -1.03 -1.24 121.76 125.00 2k4w s ALA 124 Ca 0.08 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.95 2k4w s ALA 124 Cb 0.05 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 2k4w s ALA 124 CO -0.06 0.40 -0.25 -0.51 0.00 0.00 0.00 175.76 175.34 2k4w s LEU 125 N -3.56 2.06 -0.09 0.00 1.43 0.17 -2.01 118.68 116.68 2k4w s LEU 125 Ca 0.34 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2k4w s LEU 125 Cb -0.10 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.79 2k4w s LEU 125 CO 0.28 0.25 -0.15 -0.04 0.23 0.00 0.00 176.35 176.92 2k4w s MET 126 N -0.24 2.12 -0.23 1.70 -1.94 0.02 -1.26 119.30 119.48 2k4w s MET 126 Ca -0.01 -0.55 -0.16 0.00 -1.71 0.00 0.00 55.69 53.26 2k4w s MET 126 Cb -0.13 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.94 2k4w s MET 126 CO 0.03 0.02 0.42 0.42 -0.01 0.00 0.00 175.02 175.90 2k4w s ILE 127 N 0.73 5.16 -0.02 2.53 1.01 0.28 -1.51 121.20 129.38 2k4w s ILE 127 Ca -0.12 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.30 2k4w s ILE 127 Cb -0.16 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2k4w s ILE 127 CO 0.03 0.19 -0.17 -1.00 0.00 0.00 0.00 174.94 173.99 2k4w s HIS 128 N 1.71 2.62 -0.51 3.97 3.76 -0.20 -0.60 115.29 126.04 2k4w s HIS 128 Ca 0.19 -0.22 0.20 0.00 -0.15 0.00 0.00 55.06 55.09 2k4w s HIS 128 Cb -0.15 -1.57 0.92 0.00 1.11 0.00 0.00 32.58 32.89 2k4w s HIS 128 CO 0.09 0.18 1.62 1.33 -0.85 0.00 0.00 174.74 177.11 2k4w n VAL 129 N 2.11 0.98 -4.12 -0.90 0.24 0.66 -2.44 118.33 114.85 2k4w n VAL 129 Ca -0.17 0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 62.43 2k4w n VAL 129 Cb 0.52 -1.31 -0.10 0.00 -1.47 0.00 0.00 33.84 31.48 2k4w n VAL 129 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2k4w s GLY 130 N -3.45 0.62 -0.11 7.63 0.00 -0.84 -4.86 107.32 106.31 2k4w s GLY 130 Ca 0.03 -1.28 -0.36 0.00 0.00 0.00 0.00 44.72 43.11 2k4w s GLY 130 CO 0.30 -1.38 1.82 0.61 0.00 0.00 0.00 173.10 174.45 2k4w n GLY 131 N 0.04 1.28 0.32 0.20 0.00 -0.91 -0.75 105.19 105.37 2k4w n GLY 131 Ca -0.13 0.86 0.04 0.00 0.00 0.00 0.00 46.02 46.79 2k4w n GLY 131 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k4w n ASP 132 N 6.02 1.76 -0.94 1.61 5.75 -1.26 -4.68 116.55 124.82 2k4w n ASP 132 Ca 0.23 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 2k4w n ASP 132 Cb 0.25 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2k4w n ASN 133 N 0.40 0.86 -4.15 -1.12 6.94 -1.26 -3.06 115.26 113.87 2k4w n ASN 133 Ca 0.05 -0.62 -0.35 0.00 -0.02 0.00 0.00 54.58 53.64 2k4w n ASN 133 Cb 0.21 -0.15 -0.13 0.00 -2.36 0.00 0.00 39.78 37.35 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 0.49 2.20 0.00 -3.83 -1.94 -1.26 -3.96 119.30 110.99 2k4w s MET 134 Ca 0.00 -1.53 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 2k4w s MET 134 Cb 0.00 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.48 2k4w s MET 134 CO 0.00 -0.83 0.67 -1.13 -0.01 0.00 0.00 175.02 173.72 2k4w n SER 135 N 4.59 0.40 0.00 3.03 3.41 -1.25 -3.69 113.62 120.11 2k4w n SER 135 Ca -0.07 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 2k4w n SER 135 Cb 0.42 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k4w n ASP 136 N -0.24 0.00 -4.87 4.04 2.03 -1.26 -5.03 116.55 111.22 2k4w n ASP 136 Ca 0.00 -1.00 -0.36 0.00 0.52 0.00 0.00 54.79 53.95 2k4w n ASP 136 Cb 0.10 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.44 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k4w s GLN 137 N 0.00 3.66 0.40 -0.67 1.11 -1.26 -5.02 119.66 117.88 2k4w s GLN 137 Ca 0.00 0.07 0.19 0.00 0.01 0.00 0.00 55.36 55.62 2k4w s GLN 137 Cb 0.00 -3.11 0.85 0.00 -1.01 0.00 0.00 33.01 29.74 2k4w s GLN 137 CO 0.00 0.66 1.83 -1.00 0.01 0.00 0.00 175.29 176.79 2k4w h PRO 138 N 4.24 0.00 -5.86 2.91 0.13 -1.98 -2.83 132.00 128.61 2k4w h PRO 138 Ca -0.51 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.00 2k4w h PRO 138 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2k4w h PRO 138 CO 0.64 0.33 0.49 0.15 -0.23 0.00 0.00 178.00 179.37 2k4w s LYS 139 N -3.91 3.38 1.16 0.86 1.02 -1.26 -5.08 119.74 115.91 2k4w s LYS 139 Ca -0.01 -0.17 -0.17 0.00 0.02 0.00 0.00 55.97 55.64 2k4w s LYS 139 Cb 0.12 -4.00 0.26 0.00 -0.52 0.00 0.00 37.83 33.70 2k4w s LYS 139 CO 0.68 -1.32 1.09 -1.25 -0.92 0.00 0.00 175.35 173.63 2k4w s PRO 140 N 3.67 -0.84 -1.49 -1.68 0.04 -1.07 -2.02 135.00 131.61 2k4w s PRO 140 Ca 0.31 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.46 2k4w s PRO 140 Cb -0.12 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2k4w s PRO 140 CO 0.21 -3.50 0.56 1.28 0.04 0.00 0.00 177.00 175.59 2k4w n LEU 141 N -4.65 -2.61 0.00 -3.56 4.32 -1.26 -2.36 117.00 106.88 2k4w n LEU 141 Ca 0.10 -0.26 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 2k4w n LEU 141 Cb 0.59 -2.85 0.00 0.00 -1.62 0.00 0.00 43.42 39.53 2k4w n LEU 141 CO 0.49 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 2k4w n GLY 142 N -1.47 0.07 3.05 -0.72 0.00 -1.17 -0.90 105.19 104.04 2k4w n GLY 142 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.47 1.84 1.65 -0.02 0.00 -0.86 -4.91 105.19 102.44 2k4w n GLY 143 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2k4w n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 144 N -2.00 2.72 0.00 -0.02 0.00 -0.07 -4.72 105.19 101.09 2k4w n GLY 144 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.99 -0.89 3.71 -0.02 0.00 -1.16 -1.76 105.19 106.05 2k4w n GLY 145 Ca 0.26 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2k4w n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4w s THR 146 N -2.60 2.71 0.10 2.61 2.01 -1.26 -4.80 115.64 114.40 2k4w s THR 146 Ca 0.16 0.23 -0.22 0.00 0.31 0.00 0.00 61.69 62.17 2k4w s THR 146 Cb 0.12 -2.58 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 2k4w s THR 146 CO 0.27 -0.30 0.67 0.00 -0.69 0.00 0.00 174.62 174.57 2k4w s ARG 147 N -4.82 4.38 -0.08 4.92 1.04 -1.26 -0.25 118.95 122.88 2k4w s ARG 147 Ca 0.64 0.93 0.10 0.00 -1.04 0.00 0.00 55.73 56.35 2k4w s ARG 147 Cb -0.19 -3.27 -0.14 0.00 -2.04 0.00 0.00 34.95 29.31 2k4w s ARG 147 CO 0.57 0.55 0.09 0.98 -0.04 0.00 0.00 175.30 177.46 2k4w n TYR 148 N 1.87 0.00 -3.62 5.89 9.36 0.23 -4.68 117.16 126.20 2k4w n TYR 148 Ca -0.07 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.02 2k4w n TYR 148 Cb 0.50 -0.45 -0.06 0.00 -0.63 0.00 0.00 39.34 38.71 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 -2.38 -1.14 0.04 2.98 0.00 -0.73 -4.28 121.76 116.25 2k4w s ALA 149 Ca -0.05 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.33 2k4w s ALA 149 Cb 0.04 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2k4w s ALA 149 CO 0.43 -0.50 -0.09 0.00 0.00 0.00 0.00 175.76 175.60 2k4w s GLY 151 N -1.32 -0.35 -0.07 0.00 0.00 -0.39 -0.27 107.32 104.93 2k4w s GLY 151 Ca -0.05 1.47 -0.17 0.00 0.00 0.00 0.00 44.72 45.97 2k4w s GLY 151 CO 0.01 1.48 0.46 0.14 0.00 0.00 0.00 173.10 175.19 2k4w s VAL 152 N 0.93 5.10 -0.15 1.40 1.01 -1.26 -0.65 120.40 126.77 2k4w s VAL 152 Ca -0.06 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 2k4w s VAL 152 Cb -0.06 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2k4w s VAL 152 CO -0.08 0.42 1.51 -0.63 0.00 0.00 0.00 175.10 176.33 2k4w s ILE 153 N -0.05 3.85 -1.83 2.22 1.01 -0.37 -4.90 121.20 121.12 2k4w s ILE 153 Ca 0.25 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2k4w s ILE 153 Cb -0.16 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2k4w s ILE 153 CO 0.12 -0.18 0.46 0.29 0.00 0.00 0.00 174.94 175.63