#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 1.30 -0.22 0.00 0.01 -1.26 -0.84 113.70 112.69 2k4w s SER 2 Ca 0.00 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 2k4w s SER 2 Cb 0.00 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.23 2k4w s SER 2 CO 0.00 -0.03 0.57 -0.70 0.41 0.00 0.00 173.24 173.49 2k4w s GLU 3 N -1.14 0.62 -0.76 12.44 2.56 0.05 -5.00 118.70 127.48 2k4w s GLU 3 Ca -0.02 0.90 -0.06 0.00 0.00 0.00 0.00 54.97 55.80 2k4w s GLU 3 Cb -0.08 0.21 0.19 0.00 2.00 0.00 0.00 34.13 36.46 2k4w s GLU 3 CO 0.01 -0.11 0.63 0.21 -0.56 0.00 0.00 175.26 175.43 2k4w s LYS 4 N 0.86 3.06 -0.13 4.30 2.20 -1.26 -0.55 119.74 128.22 2k4w s LYS 4 Ca -0.04 -2.73 -0.26 0.00 -0.36 0.00 0.00 55.97 52.57 2k4w s LYS 4 Cb -0.05 -3.99 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 2k4w s LYS 4 CO -0.07 -1.23 0.87 0.14 -0.36 0.00 0.00 175.35 174.70 2k4w s VAL 5 N -0.38 4.88 -0.56 4.02 -7.23 0.17 -4.76 120.40 116.54 2k4w s VAL 5 Ca 0.20 1.74 -0.26 0.00 -1.81 0.00 0.00 61.98 61.85 2k4w s VAL 5 Cb -0.14 -4.18 -0.03 0.00 0.56 0.00 0.00 36.38 32.58 2k4w s VAL 5 CO -0.07 0.06 2.01 -0.83 -0.31 0.00 0.00 175.10 175.96 2k4w s GLY 6 N 1.08 0.06 -0.05 2.32 0.00 -1.26 -0.15 107.32 109.32 2k4w s GLY 6 Ca 0.42 -0.41 -0.27 0.00 0.00 0.00 0.00 44.72 44.47 2k4w s GLY 6 CO 0.16 3.61 0.85 1.06 0.00 0.00 0.00 173.10 178.77 2k4w s MET 7 N 7.29 4.47 -0.01 2.90 -1.94 -0.80 -4.63 119.30 126.58 2k4w s MET 7 Ca 0.76 1.14 0.03 0.00 -1.71 0.00 0.00 55.69 55.92 2k4w s MET 7 Cb -0.15 -3.47 -0.03 0.00 2.01 0.00 0.00 34.83 33.19 2k4w s MET 7 CO 0.23 -0.05 -0.07 1.21 -0.01 0.00 0.00 175.02 176.32 2k4w s ASN 8 N 0.95 4.58 -1.02 3.03 3.84 0.86 -4.19 114.94 123.00 2k4w s ASN 8 Ca 0.44 -0.13 -0.08 0.00 0.21 0.00 0.00 52.86 53.29 2k4w s ASN 8 Cb -0.19 -1.07 -0.14 0.00 -0.55 0.00 0.00 41.25 39.30 2k4w s ASN 8 CO 0.21 0.30 3.16 0.18 -2.79 0.00 0.00 177.10 178.16 2k4w n LEU 9 N 1.69 7.46 -4.73 3.21 4.77 -0.04 -1.59 117.00 127.77 2k4w n LEU 9 Ca -0.16 -3.98 -0.35 0.00 -0.03 0.00 0.00 56.01 51.50 2k4w n LEU 9 Cb 0.53 -1.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 2k4w n LEU 9 CO 0.30 1.94 0.81 0.68 -1.33 0.00 0.00 177.39 179.78 2k4w s VAL 10 N 1.47 2.39 0.00 4.08 -7.23 -1.26 -4.59 120.40 115.26 2k4w s VAL 10 Ca 0.68 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2k4w s VAL 10 Cb 0.23 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2k4w s VAL 10 CO -0.05 -0.09 0.00 1.07 -0.31 0.00 0.00 175.10 175.72 2k4w n THR 11 N -2.52 0.00 0.91 5.32 5.66 -1.04 -4.56 114.28 118.06 2k4w n THR 11 Ca 0.13 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.14 2k4w n THR 11 Cb 0.50 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.33 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w n ALA 12 N -3.00 1.97 0.58 1.79 0.00 -1.26 -1.50 120.51 119.08 2k4w n ALA 12 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2k4w n ALA 12 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.56 2.45 0.00 0.00 1.13 -1.26 -4.87 117.38 114.28 2k4w n GLN 13 Ca 0.01 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.74 2k4w n GLN 13 Cb 0.01 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.23 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k4w n GLY 14 N 1.16 0.43 3.79 1.08 0.00 -0.56 -4.96 105.19 106.13 2k4w n GLY 14 Ca 0.04 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 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 5.06 0.02 1.61 1.01 -1.26 -2.49 120.40 124.35 2k4w s VAL 15 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2k4w s VAL 15 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2k4w s VAL 15 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2k4w n GLY 16 N 2.35 0.08 3.53 4.51 0.00 -1.26 -5.02 105.19 109.37 2k4w n GLY 16 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.17 0.80 -0.10 1.61 -2.07 -1.26 -5.00 119.66 112.47 2k4w s GLN 17 Ca 0.00 -0.07 0.00 0.00 -1.82 0.00 0.00 55.36 53.47 2k4w s GLN 17 Cb 0.00 0.37 0.02 0.00 -1.09 0.00 0.00 33.01 32.32 2k4w s GLN 17 CO 0.00 -0.30 -0.08 0.45 -1.32 0.00 0.00 175.29 174.03 2k4w s SER 18 N -1.82 2.02 -0.26 12.60 0.15 -1.26 -0.86 113.70 124.28 2k4w s SER 18 Ca 0.00 -0.29 0.12 0.00 0.70 0.00 0.00 55.95 56.48 2k4w s SER 18 Cb -0.01 -0.81 0.52 0.00 -1.71 0.00 0.00 66.02 64.02 2k4w s SER 18 CO -0.03 -0.09 1.47 -0.38 1.20 0.00 0.00 173.24 175.41 2k4w n ILE 19 N 4.69 2.48 0.00 6.45 2.08 -1.26 -5.02 119.36 128.78 2k4w n ILE 19 Ca -0.15 -2.38 0.00 0.00 0.56 0.00 0.00 62.75 60.78 2k4w n ILE 19 Cb 0.50 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.09 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k4w n GLY 20 N -0.91 -0.23 3.75 7.39 0.00 -1.26 -1.75 105.19 112.18 2k4w n GLY 20 Ca 0.30 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 2k4w n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 21 N -0.67 0.00 -4.55 2.61 -2.24 -1.26 -1.90 114.28 106.27 2k4w n THR 21 Ca 0.00 -1.82 -0.23 0.00 -2.27 0.00 0.00 64.05 59.73 2k4w n THR 21 Cb 0.00 -0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 67.49 2k4w n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k4w s VAL 22 N -2.50 1.06 -0.23 2.28 1.01 0.79 -3.38 120.40 119.42 2k4w s VAL 22 Ca 0.59 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2k4w s VAL 22 Cb -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2k4w s VAL 22 CO 0.38 0.33 0.79 0.54 0.00 0.00 0.00 175.10 177.13 2k4w s VAL 23 N 0.43 4.88 -0.12 2.92 0.11 -0.28 -0.66 120.40 127.68 2k4w s VAL 23 Ca -0.09 1.49 -0.06 0.00 -2.93 0.00 0.00 61.98 60.39 2k4w s VAL 23 Cb -0.13 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 2k4w s VAL 23 CO 0.02 -0.03 0.11 -0.63 -3.33 0.00 0.00 175.10 171.24 2k4w s ILE 24 N 2.64 5.23 -0.26 7.04 1.01 0.29 -0.68 121.20 136.47 2k4w s ILE 24 Ca 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 2k4w s ILE 24 Cb -0.15 -3.27 0.13 0.00 0.01 0.00 0.00 42.46 39.17 2k4w s ILE 24 CO 0.08 0.60 0.33 -0.62 0.00 0.00 0.00 174.94 175.33 2k4w s ASP 25 N -0.85 0.95 0.55 3.58 2.15 0.20 -0.77 116.67 122.48 2k4w s ASP 25 Ca 0.14 -0.29 -0.19 0.00 0.43 0.00 0.00 52.55 52.64 2k4w s ASP 25 Cb -0.12 0.78 -0.05 0.00 -0.30 0.00 0.00 42.92 43.23 2k4w s ASP 25 CO 0.03 -0.34 1.10 -1.83 -0.17 0.00 0.00 175.17 173.96 2k4w s GLU 26 N 2.44 3.36 0.30 4.34 4.04 -0.02 -0.89 118.70 132.26 2k4w s GLU 26 Ca 0.10 1.50 -0.10 0.00 0.04 0.00 0.00 54.97 56.51 2k4w s GLU 26 Cb -0.14 -2.02 0.04 0.00 0.02 0.00 0.00 34.13 32.03 2k4w s GLU 26 CO -0.23 -0.82 0.57 -2.37 -1.84 0.00 0.00 175.26 170.56 2k4w n THR 27 N -1.45 0.00 0.45 1.83 5.66 0.16 -1.40 114.28 119.53 2k4w n THR 27 Ca 0.11 -0.84 0.06 0.00 -3.05 0.00 0.00 64.05 60.33 2k4w n THR 27 Cb 0.52 0.76 0.27 0.00 -1.55 0.00 0.00 70.33 70.33 2k4w n THR 27 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2k4w n GLU 28 N -0.41 0.03 -0.50 1.09 2.13 -1.26 -0.54 120.64 121.18 2k4w n GLU 28 Ca -0.06 0.27 0.08 0.00 0.66 0.00 0.00 57.16 58.11 2k4w n GLU 28 Cb 0.45 -1.50 0.29 0.00 0.27 0.00 0.00 31.44 30.95 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 -0.22 3.26 4.59 8.31 0.00 -1.26 -5.11 105.19 114.76 2k4w n GLY 29 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.34 -0.47 3.55 -0.02 0.00 0.30 -3.29 105.19 105.60 2k4w n GLY 30 Ca 0.21 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 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 3.26 0.38 0.99 1.43 -0.49 -0.66 118.68 123.59 2k4w s LEU 31 Ca 0.00 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 2k4w s LEU 31 Cb 0.00 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 2k4w s LEU 31 CO 0.00 -1.99 1.17 -0.75 0.23 0.00 0.00 176.35 175.01 2k4w s LYS 32 N 6.01 4.15 -0.09 1.70 2.20 -0.07 -0.96 119.74 132.68 2k4w s LYS 32 Ca 0.49 1.86 -0.03 0.00 -0.36 0.00 0.00 55.97 57.92 2k4w s LYS 32 Cb -0.07 -2.76 0.05 0.00 -1.51 0.00 0.00 37.83 33.53 2k4w s LYS 32 CO 0.09 -0.24 0.14 0.12 -0.36 0.00 0.00 175.35 175.10 2k4w s PHE 33 N -1.37 -0.12 -0.25 4.03 5.36 0.46 -0.63 117.98 125.47 2k4w s PHE 33 Ca 0.55 0.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.01 2k4w s PHE 33 Cb -0.31 -0.33 0.06 0.00 -0.34 0.00 0.00 43.02 42.10 2k4w s PHE 33 CO 0.40 -0.29 -0.07 0.99 -1.46 0.00 0.00 175.22 174.79 2k4w s THR 34 N 2.26 1.79 0.67 0.12 2.01 0.14 -1.48 115.64 121.16 2k4w s THR 34 Ca 0.04 -1.42 -0.10 0.00 0.31 0.00 0.00 61.69 60.51 2k4w s THR 34 Cb -0.12 -2.01 0.01 0.00 0.01 0.00 0.00 72.50 70.39 2k4w s THR 34 CO -0.06 -0.10 1.05 -2.16 -0.69 0.00 0.00 174.62 172.66 2k4w s PRO 35 N 1.27 2.91 -0.13 4.92 0.04 -1.26 -1.12 135.00 141.63 2k4w s PRO 35 Ca -0.06 0.37 0.06 0.00 0.04 0.00 0.00 61.00 61.41 2k4w s PRO 35 Cb -0.19 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.44 2k4w s PRO 35 CO -0.06 -0.93 1.20 -2.39 0.04 0.00 0.00 177.00 174.86 2k4w n HIS 36 N -2.90 -0.70 -3.37 0.56 1.44 -1.16 -4.12 115.22 104.97 2k4w n HIS 36 Ca 0.06 -0.97 -0.38 0.00 -2.01 0.00 0.00 57.72 54.42 2k4w n HIS 36 Cb 0.57 0.83 -0.06 0.00 0.12 0.00 0.00 29.99 31.45 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 -1.55 4.41 -0.09 2.39 1.02 -1.08 -4.62 118.68 119.15 2k4w s LEU 37 Ca 0.05 0.98 0.15 0.00 0.02 0.00 0.00 54.13 55.33 2k4w s LEU 37 Cb 0.18 -2.70 0.59 0.00 0.02 0.00 0.00 46.19 44.28 2k4w s LEU 37 CO -0.05 0.19 1.47 0.29 0.02 0.00 0.00 176.35 178.26 2k4w n LYS 38 N 2.53 3.25 -3.21 1.70 4.01 -0.72 -0.95 118.16 124.77 2k4w n LYS 38 Ca -0.10 -2.33 -0.08 0.00 -0.51 0.00 0.00 58.31 55.29 2k4w n LYS 38 Cb 0.52 -1.79 -0.04 0.00 -0.51 0.00 0.00 35.03 33.21 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k4w s ALA 39 N -1.81 -1.43 0.14 7.82 0.00 -0.95 -4.55 121.76 120.99 2k4w s ALA 39 Ca 0.42 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 2k4w s ALA 39 Cb 0.27 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 2k4w s ALA 39 CO 0.20 -2.19 0.28 -0.51 0.00 0.00 0.00 175.76 173.55 2k4w s LEU 40 N 1.45 0.99 0.06 0.00 1.02 -0.50 -4.99 118.68 116.71 2k4w s LEU 40 Ca 0.19 -0.74 -0.31 0.00 0.02 0.00 0.00 54.13 53.30 2k4w s LEU 40 Cb -0.07 1.26 -0.08 0.00 0.02 0.00 0.00 46.19 47.32 2k4w s LEU 40 CO -0.06 -0.86 1.68 -2.16 0.02 0.00 0.00 176.35 174.98 2k4w s PRO 41 N -3.92 4.19 -0.17 1.29 0.04 -1.26 -4.40 135.00 130.77 2k4w s PRO 41 Ca 0.12 2.35 -0.03 0.00 0.04 0.00 0.00 61.00 63.48 2k4w s PRO 41 Cb 0.03 -3.67 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2k4w s PRO 41 CO -0.04 -0.76 2.66 -0.35 0.04 0.00 0.00 177.00 178.55 2k4w n PRO 42 N 5.85 1.79 0.00 0.56 -0.04 -1.26 -4.69 135.00 137.20 2k4w n PRO 42 Ca 0.16 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2k4w n PRO 42 Cb 0.41 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 1.40 0.76 3.09 0.55 0.00 -1.26 -4.30 105.19 105.43 2k4w n GLY 43 Ca 0.30 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 4.05 0.23 0.11 1.61 -1.05 -1.26 -0.41 118.70 121.98 2k4w s GLU 44 Ca 0.00 0.63 0.05 0.00 -0.15 0.00 0.00 54.97 55.50 2k4w s GLU 44 Cb 0.00 -0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.58 2k4w s GLU 44 CO 0.00 -0.19 -0.13 -1.01 0.95 0.00 0.00 175.26 174.88 2k4w s HIS 45 N 1.53 1.32 0.64 4.83 3.76 -0.31 -3.61 115.29 123.45 2k4w s HIS 45 Ca -0.07 -0.57 -0.14 0.00 -0.15 0.00 0.00 55.06 54.12 2k4w s HIS 45 Cb -0.10 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.88 2k4w s HIS 45 CO -0.09 0.11 1.08 0.20 -0.85 0.00 0.00 174.74 175.19 2k4w s GLY 46 N -2.41 2.04 -0.09 -2.22 0.00 0.12 0.42 107.32 105.19 2k4w s GLY 46 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.20 2k4w s GLY 46 CO 0.02 0.73 -0.07 -0.12 0.00 0.00 0.00 173.10 173.67 2k4w s PHE 47 N -2.52 1.27 0.22 1.90 5.36 -1.25 -0.91 117.98 122.05 2k4w s PHE 47 Ca 0.64 -0.56 0.10 0.00 -0.96 0.00 0.00 56.93 56.15 2k4w s PHE 47 Cb -0.17 -1.08 -0.05 0.00 -0.34 0.00 0.00 43.02 41.38 2k4w s PHE 47 CO 0.42 -0.41 -0.19 -1.01 -1.46 0.00 0.00 175.22 172.57 2k4w s HIS 48 N 1.50 2.06 0.25 10.12 3.76 -0.84 -1.29 115.29 130.86 2k4w s HIS 48 Ca 0.00 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 2k4w s HIS 48 Cb -0.13 -0.96 -0.05 0.00 1.11 0.00 0.00 32.58 32.55 2k4w s HIS 48 CO -0.05 0.52 0.48 0.42 -0.85 0.00 0.00 174.74 175.26 2k4w s ILE 49 N -2.36 5.10 0.01 0.60 1.01 0.42 -0.55 121.20 125.44 2k4w s ILE 49 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2k4w s ILE 49 Cb -0.05 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2k4w s ILE 49 CO 0.10 -0.26 -0.03 -1.00 0.00 0.00 0.00 174.94 173.76 2k4w s HIS 50 N -2.00 0.24 0.43 3.97 3.76 -0.27 -4.54 115.29 116.88 2k4w s HIS 50 Ca 0.41 -0.28 0.33 0.00 -0.15 0.00 0.00 55.06 55.38 2k4w s HIS 50 Cb -0.11 -0.16 1.72 0.00 1.11 0.00 0.00 32.58 35.14 2k4w s HIS 50 CO 0.30 -0.09 2.15 0.00 -0.85 0.00 0.00 174.74 176.25 2k4w h ALA 51 N 5.35 1.16 -4.92 -1.40 0.00 -0.06 -3.31 119.26 116.09 2k4w h ALA 51 Ca -0.29 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.02 2k4w h ALA 51 Cb 1.21 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 2k4w h ALA 51 CO 0.46 0.07 -0.45 0.09 0.00 0.00 0.00 179.25 179.41 2k4w n ASN 52 N -3.39 1.46 -1.08 0.00 3.02 -0.29 -4.84 115.26 110.14 2k4w n ASN 52 Ca -0.02 -3.12 -0.02 0.00 -0.03 0.00 0.00 54.58 51.40 2k4w n ASN 52 Cb 0.20 0.93 0.14 0.00 -0.61 0.00 0.00 39.78 40.45 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 -0.74 5.07 2.60 7.41 0.00 -1.06 -1.38 105.19 117.09 2k4w n GLY 53 Ca -0.07 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 2k4w n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4w s SER 54 N -3.26 3.15 0.00 1.61 0.01 -0.30 -4.79 113.70 110.12 2k4w s SER 54 Ca 0.41 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2k4w s SER 54 Cb 0.38 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2k4w s SER 54 CO -0.05 -0.40 0.43 0.00 0.41 0.00 0.00 173.24 173.64 2k4w s GLN 56 N -1.69 4.49 0.45 0.00 1.11 -1.26 -4.54 119.66 118.22 2k4w s GLN 56 Ca 0.00 1.07 -0.21 0.00 0.01 0.00 0.00 55.36 56.22 2k4w s GLN 56 Cb 0.00 -3.42 -0.09 0.00 -1.01 0.00 0.00 33.01 28.48 2k4w s GLN 56 CO 0.00 0.11 1.01 -1.25 0.01 0.00 0.00 175.29 175.17 2k4w s PRO 57 N 0.56 4.02 0.39 2.91 0.04 -1.25 -0.48 135.00 141.18 2k4w s PRO 57 Ca 0.41 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 2k4w s PRO 57 Cb -0.19 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 2k4w s PRO 57 CO 0.22 -0.24 0.85 0.00 0.04 0.00 0.00 177.00 177.87 2k4w s ALA 58 N -1.97 3.17 -0.06 8.56 0.00 -1.26 -4.79 121.76 125.41 2k4w s ALA 58 Ca 0.64 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.85 2k4w s ALA 58 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2k4w s ALA 58 CO 0.19 0.20 -0.20 0.42 0.00 0.00 0.00 175.76 176.37 2k4w s ILE 59 N -2.12 2.54 0.00 0.00 -1.09 -1.26 -0.27 121.20 119.00 2k4w s ILE 59 Ca 0.58 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 2k4w s ILE 59 Cb -0.10 -1.97 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 2k4w s ILE 59 CO 0.16 0.57 0.00 2.29 -1.23 0.00 0.00 174.94 176.74 2k4w n LYS 60 N 2.75 1.89 -2.69 2.79 -0.00 -1.19 -5.03 118.16 116.68 2k4w n LYS 60 Ca -0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.08 2k4w n LYS 60 Cb 0.52 -0.16 0.12 0.00 -0.00 0.00 0.00 35.03 35.51 2k4w n LYS 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k4w n ASP 61 N 0.00 -1.66 -1.33 -5.58 -0.08 -1.26 -4.96 116.55 101.68 2k4w n ASP 61 Ca 0.00 -2.38 -0.16 0.00 -1.51 0.00 0.00 54.79 50.74 2k4w n ASP 61 Cb 0.00 0.87 -0.05 0.00 2.34 0.00 0.00 41.12 44.27 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k4w n GLY 62 N -0.89 1.16 3.50 0.27 0.00 -1.26 -4.94 105.19 103.02 2k4w n GLY 62 Ca -0.07 -0.27 -0.13 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 -3.66 0.98 -0.08 1.61 -2.07 -1.26 -5.18 119.66 109.99 2k4w s GLN 63 Ca 0.00 -0.10 -0.00 0.00 -1.82 0.00 0.00 55.36 53.44 2k4w s GLN 63 Cb 0.00 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.35 2k4w s GLN 63 CO 0.00 -0.38 -0.06 0.00 -1.32 0.00 0.00 175.29 173.54 2k4w s ALA 64 N -2.36 3.01 -0.19 2.60 0.00 -1.26 -3.14 121.76 120.41 2k4w s ALA 64 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2k4w s ALA 64 Cb -0.01 -1.29 0.13 0.00 0.00 0.00 0.00 23.12 21.95 2k4w s ALA 64 CO -0.03 0.52 1.98 0.28 0.00 0.00 0.00 175.76 178.52 2k4w n VAL 65 N 2.41 2.44 0.00 0.00 0.31 0.63 -4.92 118.33 119.19 2k4w n VAL 65 Ca -0.18 -1.18 0.00 0.00 -0.01 0.00 0.00 64.34 62.97 2k4w n VAL 65 Cb 0.53 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 0.76 0.00 -3.15 3.52 0.00 -1.26 -4.03 120.51 116.35 2k4w n ALA 66 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.67 2k4w n ALA 66 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.67 -0.09 0.00 0.00 -1.26 -3.78 121.76 113.96 2k4w s ALA 67 Ca 0.00 1.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.33 2k4w s ALA 67 Cb 0.00 -2.37 -0.16 0.00 0.00 0.00 0.00 23.12 20.60 2k4w s ALA 67 CO 0.00 -1.52 0.67 1.49 0.00 0.00 0.00 175.76 176.40 2k4w h GLU 68 N 7.94 -0.10 -0.92 0.00 4.81 -0.92 -3.29 114.58 122.11 2k4w h GLU 68 Ca -0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2k4w h GLU 68 Cb 1.17 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2k4w h GLU 68 CO 0.14 0.42 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 2k4w n ALA 69 N -2.62 2.36 0.82 2.92 0.00 -1.23 -1.22 120.51 121.55 2k4w n ALA 69 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2k4w n ALA 69 Cb 0.28 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 18.91 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 0.08 3.39 0.00 0.00 0.00 -1.05 -1.15 120.51 121.78 2k4w n ALA 70 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2k4w n ALA 70 Cb 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.44 2.15 0.00 0.00 0.00 -0.36 -1.14 105.19 107.29 2k4w n GLY 71 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k4w n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 72 N 0.00 -0.54 0.00 -0.02 0.00 -1.26 -4.89 105.19 98.48 2k4w n GLY 72 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.66 2k4w n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4w n HIS 73 N -1.10 0.00 -1.58 1.61 8.25 -1.26 -0.96 115.22 120.17 2k4w n HIS 73 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k4w n HIS 73 Cb 0.00 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 -1.37 -2.33 -2.69 2.41 0.00 -1.26 -2.89 117.00 108.88 2k4w n LEU 74 Ca 0.01 0.17 -0.06 0.00 0.00 0.00 0.00 56.01 56.13 2k4w n LEU 74 Cb 0.02 -1.17 0.08 0.00 0.00 0.00 0.00 43.42 42.34 2k4w n LEU 74 CO 0.02 -0.30 0.56 -0.90 0.00 0.00 0.00 177.39 176.76 2k4w n ASP 75 N 0.12 -1.65 -0.04 1.96 5.68 -1.26 -1.56 116.55 119.81 2k4w n ASP 75 Ca -0.03 -2.41 -0.12 0.00 -0.50 0.00 0.00 54.79 51.73 2k4w n ASP 75 Cb 0.04 1.28 -0.07 0.00 -1.14 0.00 0.00 41.12 41.23 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2k4w h PRO 76 N 2.07 0.21 -2.41 0.11 0.13 -1.98 -3.39 132.00 126.74 2k4w h PRO 76 Ca -0.32 -0.07 -0.59 0.00 -0.87 0.00 0.00 66.00 64.15 2k4w h PRO 76 Cb 1.21 -0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 2k4w h PRO 76 CO -0.04 0.46 -0.94 1.04 -0.23 0.00 0.00 178.00 178.29 2k4w n GLN 77 N -4.79 0.45 0.00 0.86 1.13 -1.26 -4.95 117.38 108.82 2k4w n GLN 77 Ca -0.06 -3.35 0.00 0.00 -1.94 0.00 0.00 57.00 51.65 2k4w n GLN 77 Cb 0.21 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2k4w n GLN 77 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2k4w n ASN 78 N 2.59 0.00 0.00 1.08 5.03 -1.26 -5.06 115.26 117.64 2k4w n ASN 78 Ca 0.28 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.73 2k4w n ASN 78 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2k4w n THR 79 N -1.35 0.00 0.00 3.41 5.66 -1.23 -4.85 114.28 115.91 2k4w n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k4w n THR 79 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2k4w n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4w n GLY 80 N -0.65 0.07 0.12 1.09 0.00 -0.77 -4.98 105.19 100.07 2k4w n GLY 80 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.94 0.19 -0.69 1.61 2.85 -1.26 -4.92 118.16 114.00 2k4w n LYS 81 Ca 0.00 0.37 0.09 0.00 -1.05 0.00 0.00 58.31 57.71 2k4w n LYS 81 Cb 0.00 -1.83 -0.04 0.00 -0.65 0.00 0.00 35.03 32.51 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 -2.19 -1.82 -1.37 5.58 -0.00 -1.26 -4.87 115.22 109.28 2k4w n HIS 82 Ca 0.03 0.99 0.00 0.00 -0.00 0.00 0.00 57.72 58.74 2k4w n HIS 82 Cb 0.26 -1.66 0.00 0.00 -0.00 0.00 0.00 29.99 28.59 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 -3.22 0.00 0.00 1.57 -0.00 -1.26 -4.47 120.64 113.26 2k4w n GLU 83 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 2k4w n GLU 83 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.76 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4w n GLY 84 N 0.00 0.80 0.33 -1.84 0.00 -1.26 -3.91 105.19 99.30 2k4w n GLY 84 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.73 0.00 1.61 -0.04 -1.26 -4.87 135.00 131.17 2k4w n PRO 85 Ca 0.00 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2k4w n PRO 85 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2k4w n PRO 85 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k4w n GLU 86 N 0.32 0.00 0.00 0.54 0.28 -1.26 -5.04 120.64 115.48 2k4w n GLU 86 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 2k4w n GLU 86 Cb 0.22 -0.12 0.00 0.00 1.43 0.00 0.00 31.44 32.97 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 87 N 0.00 2.91 2.57 -1.84 0.00 -1.26 -4.94 105.19 102.63 2k4w n GLY 87 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2k4w n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k4w n GLN 88 N -1.39 2.96 0.00 1.61 1.13 -1.26 -4.47 117.38 115.95 2k4w n GLN 88 Ca 0.00 -2.18 0.00 0.00 -1.94 0.00 0.00 57.00 52.88 2k4w n GLN 88 Cb 0.00 -2.92 0.00 0.00 0.11 0.00 0.00 30.24 27.43 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k4w n GLY 89 N 3.87 0.21 3.08 1.08 0.00 -1.26 -4.47 105.19 107.71 2k4w n GLY 89 Ca 0.62 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.70 2k4w n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 90 N 0.34 0.59 -0.27 1.61 3.76 -1.26 -1.84 115.29 118.21 2k4w s HIS 90 Ca 0.00 -0.81 0.21 0.00 -0.15 0.00 0.00 55.06 54.31 2k4w s HIS 90 Cb 0.00 -0.38 0.10 0.00 1.11 0.00 0.00 32.58 33.41 2k4w s HIS 90 CO 0.00 -0.22 1.27 1.37 -0.85 0.00 0.00 174.74 176.31 2k4w h LEU 91 N 3.67 0.00 -1.71 0.89 8.10 -1.50 -3.35 115.31 121.41 2k4w h LEU 91 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.65 2k4w h LEU 91 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.39 2k4w h LEU 91 CO 0.56 0.17 0.00 0.61 -4.11 0.00 0.00 178.44 175.67 2k4w n GLY 92 N 1.19 1.89 3.83 0.17 0.00 -1.10 -4.83 105.19 106.34 2k4w n GLY 92 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.23 6.65 0.13 1.61 1.01 -1.26 -0.43 116.67 124.15 2k4w s ASP 93 Ca 0.15 0.78 0.06 0.00 0.71 0.00 0.00 52.55 54.25 2k4w s ASP 93 Cb 0.12 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 2k4w s ASP 93 CO 0.05 0.30 -0.14 -0.76 0.21 0.00 0.00 175.17 174.83 2k4w s LEU 94 N -0.77 2.43 0.79 1.23 1.02 -0.41 -4.94 118.68 118.03 2k4w s LEU 94 Ca 0.21 -0.85 -0.11 0.00 0.02 0.00 0.00 54.13 53.40 2k4w s LEU 94 Cb -0.15 -0.53 0.06 0.00 0.02 0.00 0.00 46.19 45.59 2k4w s LEU 94 CO 0.10 -0.17 1.08 -2.16 0.02 0.00 0.00 176.35 175.22 2k4w s PRO 95 N -2.87 2.16 0.04 1.29 0.04 -1.26 -3.91 135.00 130.49 2k4w s PRO 95 Ca 0.11 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 2k4w s PRO 95 Cb -0.04 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2k4w s PRO 95 CO 0.03 -1.64 1.36 0.14 0.04 0.00 0.00 177.00 176.92 2k4w s VAL 96 N -2.99 3.67 -1.12 -0.36 -7.23 -1.26 -4.33 120.40 106.78 2k4w s VAL 96 Ca 0.61 1.13 -0.21 0.00 -1.81 0.00 0.00 61.98 61.69 2k4w s VAL 96 Cb -0.16 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.07 2k4w s VAL 96 CO 0.56 0.04 1.70 -0.22 -0.31 0.00 0.00 175.10 176.87 2k4w s LEU 97 N 1.83 3.49 0.59 1.32 0.20 0.17 -4.82 118.68 121.46 2k4w s LEU 97 Ca 0.63 -1.70 -0.19 0.00 0.69 0.00 0.00 54.13 53.55 2k4w s LEU 97 Cb -0.32 -2.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 2k4w s LEU 97 CO 0.28 -1.84 1.23 -0.69 -0.29 0.00 0.00 176.35 175.04 2k4w s VAL 98 N 6.49 2.49 -0.04 1.68 1.01 -1.26 -1.16 120.40 129.61 2k4w s VAL 98 Ca 0.56 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.87 2k4w s VAL 98 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2k4w s VAL 98 CO 0.01 -0.06 -0.08 -0.69 0.00 0.00 0.00 175.10 174.28 2k4w s VAL 99 N -1.53 0.77 0.39 2.92 1.01 0.46 -4.57 120.40 119.86 2k4w s VAL 99 Ca 0.77 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 2k4w s VAL 99 Cb -0.33 -0.71 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2k4w s VAL 99 CO 0.35 0.25 1.32 0.21 0.00 0.00 0.00 175.10 177.24 2k4w s ASN 100 N 0.42 6.38 0.62 3.32 2.47 -1.19 -4.03 114.94 122.94 2k4w s ASN 100 Ca -0.07 2.69 0.24 0.00 0.42 0.00 0.00 52.86 56.15 2k4w s ASN 100 Cb -0.11 -2.64 1.10 0.00 -1.45 0.00 0.00 41.25 38.15 2k4w s ASN 100 CO 0.01 -0.80 1.57 -0.55 -3.72 0.00 0.00 177.10 173.60 2k4w h ASN 101 N 2.82 0.00 1.87 -4.21 7.08 -1.85 -2.83 115.58 118.46 2k4w h ASN 101 Ca -0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.72 2k4w h ASN 101 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 2k4w h ASN 101 CO 0.63 0.00 -0.06 -0.78 -2.08 0.00 0.00 177.43 175.14 2k4w h ASP 102 N 0.00 0.00 0.00 6.14 1.82 -1.91 -3.45 116.42 119.02 2k4w h ASP 102 Ca 0.25 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2k4w h ASP 102 Cb 1.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.85 2k4w h ASP 102 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 2k4w n GLY 103 N 1.13 1.13 3.24 -0.78 0.00 -1.07 -5.02 105.19 103.82 2k4w n GLY 103 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 2.35 -0.02 -0.61 1.01 -1.24 -1.41 121.20 119.28 2k4w s ILE 104 Ca 0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 2k4w s ILE 104 Cb 0.00 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2k4w s ILE 104 CO 0.00 0.54 0.47 0.00 0.00 0.00 0.00 174.94 175.95 2k4w s ALA 105 N 0.57 3.59 0.00 9.38 0.00 -0.12 -3.15 121.76 132.03 2k4w s ALA 105 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2k4w s ALA 105 Cb -0.16 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2k4w s ALA 105 CO 0.04 0.30 0.00 -2.37 0.00 0.00 0.00 175.76 173.72 2k4w n THR 106 N 2.43 0.00 -2.67 0.00 5.66 -1.26 -2.64 114.28 115.80 2k4w n THR 106 Ca -0.11 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.46 2k4w n THR 106 Cb 0.52 0.61 -0.02 0.00 -1.55 0.00 0.00 70.33 69.88 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 4.20 0.45 1.09 8.01 -1.26 -4.64 118.70 126.55 2k4w s GLU 107 Ca 0.00 1.24 -0.21 0.00 0.01 0.00 0.00 54.97 56.01 2k4w s GLU 107 Cb 0.00 -3.67 -0.10 0.00 -4.31 0.00 0.00 34.13 26.06 2k4w s GLU 107 CO 0.00 -0.70 1.00 -1.25 0.01 0.00 0.00 175.26 174.32 2k4w s PRO 108 N 3.30 4.03 0.17 0.39 0.04 -1.26 -4.36 135.00 137.30 2k4w s PRO 108 Ca 0.44 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 2k4w s PRO 108 Cb -0.14 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 2k4w s PRO 108 CO 0.09 -0.23 0.20 0.14 0.04 0.00 0.00 177.00 177.24 2k4w s VAL 109 N -2.01 0.06 -0.01 -0.36 -7.23 -0.55 -5.03 120.40 105.28 2k4w s VAL 109 Ca 0.64 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2k4w s VAL 109 Cb -0.14 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2k4w s VAL 109 CO 0.18 -0.27 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.81 2k4w s THR 110 N -4.04 0.09 -0.32 5.32 2.01 -1.26 -0.41 115.64 117.04 2k4w s THR 110 Ca 0.24 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.21 2k4w s THR 110 Cb 0.05 -0.12 0.04 0.00 0.01 0.00 0.00 72.50 72.49 2k4w s THR 110 CO 0.04 0.05 0.04 0.00 -0.69 0.00 0.00 174.62 174.06 2k4w s ALA 111 N 0.28 2.91 -1.90 7.40 0.00 -0.14 -4.75 121.76 125.56 2k4w s ALA 111 Ca -0.02 -1.74 0.28 0.00 0.00 0.00 0.00 51.96 50.47 2k4w s ALA 111 Cb -0.04 -2.08 1.62 0.00 0.00 0.00 0.00 23.12 22.62 2k4w s ALA 111 CO -0.01 -1.28 2.00 -0.35 0.00 0.00 0.00 175.76 176.11 2k4w n PRO 112 N 4.71 0.79 0.03 0.00 -0.04 -1.21 -1.40 135.00 137.88 2k4w n PRO 112 Ca -0.13 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.44 2k4w n PRO 112 Cb 0.44 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.84 2k4w n PRO 112 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4w n ARG 113 N -1.05 0.05 -3.87 0.54 1.74 -1.26 -4.73 116.66 108.08 2k4w n ARG 113 Ca 0.20 0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 57.36 2k4w n ARG 113 Cb 0.12 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 29.84 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k4w s LEU 114 N -3.36 1.80 -0.01 0.55 1.02 -1.25 -4.99 118.68 112.44 2k4w s LEU 114 Ca 0.09 0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.28 2k4w s LEU 114 Cb 0.13 0.24 0.02 0.00 0.02 0.00 0.00 46.19 46.60 2k4w s LEU 114 CO 0.39 -0.08 0.96 2.29 0.02 0.00 0.00 176.35 179.93 2k4w n LYS 115 N 2.75 0.13 -3.80 1.70 0.00 -1.26 -2.62 118.16 115.06 2k4w n LYS 115 Ca -0.14 -1.07 -0.10 0.00 -0.00 0.00 0.00 58.31 57.00 2k4w n LYS 115 Cb 0.59 -0.58 -0.05 0.00 -0.00 0.00 0.00 35.03 34.99 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 -1.03 -0.17 0.01 -5.58 1.04 -1.26 -4.70 113.70 102.01 2k4w s SER 116 Ca 0.02 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 2k4w s SER 116 Cb 0.02 0.53 -0.26 0.00 0.10 0.00 0.00 66.02 66.41 2k4w s SER 116 CO 0.00 -1.00 0.88 0.25 0.98 0.00 0.00 173.24 174.35 2k4w h LEU 117 N 2.30 0.31 -0.94 2.42 5.85 -1.97 -3.36 115.31 119.93 2k4w h LEU 117 Ca -0.30 -0.43 0.21 0.00 0.84 0.00 0.00 57.88 58.20 2k4w h LEU 117 Cb 1.25 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 2k4w h LEU 117 CO 0.41 1.36 0.50 0.44 -0.34 0.00 0.00 178.44 180.81 2k4w h ASP 118 N 0.05 0.56 0.33 1.25 5.19 -1.99 -0.87 116.42 120.94 2k4w h ASP 118 Ca -0.22 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2k4w h ASP 118 Cb 1.99 0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.54 2k4w h ASP 118 CO 0.15 0.13 0.00 -1.84 -3.12 0.00 0.00 179.24 174.56 2k4w n GLU 119 N -4.91 0.32 -0.09 3.56 0.28 -1.26 -3.15 120.64 115.39 2k4w n GLU 119 Ca 0.23 0.09 0.02 0.00 -0.16 0.00 0.00 57.16 57.34 2k4w n GLU 119 Cb 0.62 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.02 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2k4w n VAL 120 N -1.25 0.80 0.00 3.84 0.24 -0.36 -4.92 118.33 116.67 2k4w n VAL 120 Ca 0.10 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 2k4w n VAL 120 Cb 0.15 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 -0.52 0.00 -0.65 7.34 2.85 -1.02 -2.11 118.16 124.05 2k4w n LYS 121 Ca 0.04 0.25 0.02 0.00 -1.05 0.00 0.00 58.31 57.56 2k4w n LYS 121 Cb 0.47 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.37 2k4w n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k4w n ASP 122 N -1.25 0.45 -4.81 -5.58 2.03 -1.26 -4.78 116.55 101.34 2k4w n ASP 122 Ca 0.00 -2.15 -0.29 0.00 0.52 0.00 0.00 54.79 52.87 2k4w n ASP 122 Cb 0.00 -0.25 -0.06 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.35 3.00 0.34 -0.67 -0.14 -0.90 -2.78 119.74 118.24 2k4w s LYS 123 Ca 0.10 -0.71 -0.19 0.00 -1.36 0.00 0.00 55.97 53.82 2k4w s LYS 123 Cb 0.11 -2.76 -0.10 0.00 -1.68 0.00 0.00 37.83 33.40 2k4w s LYS 123 CO -0.03 0.54 0.82 0.00 -0.76 0.00 0.00 175.35 175.92 2k4w s ALA 124 N -1.53 3.24 0.05 5.17 0.00 -0.48 -1.21 121.76 127.00 2k4w s ALA 124 Ca 0.31 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.56 2k4w s ALA 124 Cb -0.12 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 2k4w s ALA 124 CO 0.24 0.26 -0.18 -0.51 0.00 0.00 0.00 175.76 175.56 2k4w s LEU 125 N -2.76 2.61 0.07 0.00 1.02 -0.25 -1.12 118.68 118.26 2k4w s LEU 125 Ca 0.54 -0.44 0.04 0.00 0.02 0.00 0.00 54.13 54.29 2k4w s LEU 125 Cb -0.12 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 2k4w s LEU 125 CO 0.17 0.25 -0.11 0.00 0.02 0.00 0.00 176.35 176.68 2k4w s MET 126 N -1.51 0.72 -0.17 1.70 0.23 0.28 -0.51 119.30 120.05 2k4w s MET 126 Ca 0.15 -0.92 -0.10 0.00 -1.03 0.00 0.00 55.69 53.79 2k4w s MET 126 Cb -0.10 -0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 32.55 2k4w s MET 126 CO 0.06 0.12 0.17 0.42 -2.03 0.00 0.00 175.02 173.76 2k4w s ILE 127 N -1.50 5.40 0.03 3.16 1.01 0.04 -1.98 121.20 127.35 2k4w s ILE 127 Ca -0.04 0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.97 2k4w s ILE 127 Cb -0.09 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 2k4w s ILE 127 CO 0.01 0.48 -0.22 -1.00 0.00 0.00 0.00 174.94 174.21 2k4w s HIS 128 N -0.02 1.97 0.27 3.97 3.76 -0.09 -0.31 115.29 124.83 2k4w s HIS 128 Ca 0.12 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2k4w s HIS 128 Cb -0.12 -1.20 0.36 0.00 1.11 0.00 0.00 32.58 32.74 2k4w s HIS 128 CO 0.01 0.06 1.71 0.28 -0.85 0.00 0.00 174.74 175.96 2k4w h VAL 129 N 4.39 1.26 -3.24 -0.90 2.07 0.14 -2.65 116.25 117.33 2k4w h VAL 129 Ca -0.43 -1.24 -0.64 0.00 0.82 0.00 0.00 66.70 65.21 2k4w h VAL 129 Cb 1.15 1.27 -0.11 0.00 -1.52 0.00 0.00 31.29 32.08 2k4w h VAL 129 CO 0.45 0.40 -0.65 -0.83 0.02 0.00 0.00 177.57 176.97 2k4w s GLY 130 N -3.95 1.91 0.58 2.17 0.00 -0.36 -4.78 107.32 102.89 2k4w s GLY 130 Ca -0.08 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 2k4w s GLY 130 CO 0.80 -1.11 1.27 0.61 0.00 0.00 0.00 173.10 174.67 2k4w n GLY 131 N 0.42 0.51 0.00 0.20 0.00 -1.24 -0.70 105.19 104.39 2k4w n GLY 131 Ca -0.10 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.96 2k4w n GLY 131 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k4w n ASP 132 N -1.19 0.84 -2.34 1.61 2.03 -1.26 -4.75 116.55 111.49 2k4w n ASP 132 Ca 0.13 -0.45 -0.13 0.00 0.52 0.00 0.00 54.79 54.85 2k4w n ASP 132 Cb 0.46 1.42 -0.11 0.00 -0.72 0.00 0.00 41.12 42.17 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k4w n ASN 133 N -1.78 4.53 -3.78 1.67 6.94 -1.26 -4.70 115.26 116.88 2k4w n ASN 133 Ca -0.00 -2.28 -0.14 0.00 -0.02 0.00 0.00 54.58 52.13 2k4w n ASN 133 Cb 0.37 -1.13 -0.15 0.00 -2.36 0.00 0.00 39.78 36.51 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2k4w s MET 134 N 1.75 0.00 0.14 -3.83 -1.94 -1.25 -4.78 119.30 109.38 2k4w s MET 134 Ca 0.52 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 2k4w s MET 134 Cb 0.22 -0.19 0.00 0.00 2.01 0.00 0.00 34.83 36.87 2k4w s MET 134 CO -0.01 -0.14 0.00 0.43 -0.01 0.00 0.00 175.02 175.29 2k4w n SER 135 N 4.02 -0.03 -1.55 3.03 7.64 -1.26 -0.89 113.62 124.59 2k4w n SER 135 Ca -0.25 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2k4w n SER 135 Cb 0.52 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2k4w n SER 135 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k4w n ASP 136 N -3.02 4.43 -4.44 6.43 9.92 -1.26 -4.08 116.55 124.53 2k4w n ASP 136 Ca 0.00 -2.17 -0.22 0.00 -0.53 0.00 0.00 54.79 51.87 2k4w n ASP 136 Cb 0.02 -0.93 -0.10 0.00 -0.64 0.00 0.00 41.12 39.47 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2k4w s GLN 137 N 0.30 1.58 0.58 -1.24 -0.21 -1.26 -5.06 119.66 114.35 2k4w s GLN 137 Ca 0.00 -1.78 0.38 0.00 0.02 0.00 0.00 55.36 53.97 2k4w s GLN 137 Cb 0.00 -1.32 1.83 0.00 1.00 0.00 0.00 33.01 34.53 2k4w s GLN 137 CO 0.00 0.11 2.13 -1.00 -2.12 0.00 0.00 175.29 174.41 2k4w h PRO 138 N 2.27 0.00 -5.18 2.91 0.13 -2.03 -3.33 132.00 126.76 2k4w h PRO 138 Ca -0.40 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.21 2k4w h PRO 138 Cb 1.24 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 2k4w h PRO 138 CO 0.66 0.00 -0.82 0.15 -0.23 0.00 0.00 178.00 177.76 2k4w s LYS 139 N -3.86 1.48 0.85 0.86 1.02 -1.26 -5.13 119.74 113.70 2k4w s LYS 139 Ca -0.02 -0.53 -0.11 0.00 0.02 0.00 0.00 55.97 55.33 2k4w s LYS 139 Cb 0.11 -1.33 0.10 0.00 -0.52 0.00 0.00 37.83 36.19 2k4w s LYS 139 CO 0.45 0.24 1.09 -1.25 -0.92 0.00 0.00 175.35 174.96 2k4w s PRO 140 N -0.02 1.61 0.00 -1.68 0.04 -1.25 -3.39 135.00 130.31 2k4w s PRO 140 Ca -0.01 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2k4w s PRO 140 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2k4w s PRO 140 CO 0.01 -2.06 0.00 1.28 0.04 0.00 0.00 177.00 176.27 2k4w n LEU 141 N -3.79 1.00 -0.07 -3.56 4.32 -0.07 -2.49 117.00 112.34 2k4w n LEU 141 Ca 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.06 2k4w n LEU 141 Cb 0.54 -2.40 -0.00 0.00 -1.62 0.00 0.00 43.42 39.93 2k4w n LEU 141 CO 0.54 -0.95 -0.01 0.61 -1.22 0.00 0.00 177.39 176.36 2k4w n GLY 142 N 0.72 0.26 1.75 -0.72 0.00 -1.22 -0.89 105.19 105.09 2k4w n GLY 142 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.50 0.78 0.13 -0.02 0.00 -1.04 -4.97 105.19 99.58 2k4w n GLY 143 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.17 -0.61 0.00 -0.02 0.00 -0.07 -4.12 105.19 98.20 2k4w n GLY 144 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 0.56 -0.95 3.71 -0.02 0.00 -1.26 -1.23 105.19 106.00 2k4w n GLY 145 Ca 0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.41 2.36 0.09 2.61 -4.23 -1.26 -4.81 115.64 107.98 2k4w s THR 146 Ca 0.25 0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 2k4w s THR 146 Cb 0.15 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 2k4w s THR 146 CO 0.32 -0.13 0.03 0.00 -0.54 0.00 0.00 174.62 174.30 2k4w s ARG 147 N -4.44 2.66 -0.02 3.99 1.04 -1.26 -0.08 118.95 120.83 2k4w s ARG 147 Ca 0.68 -0.79 0.14 0.00 -1.04 0.00 0.00 55.73 54.72 2k4w s ARG 147 Cb -0.24 -2.60 -0.21 0.00 -2.04 0.00 0.00 34.95 29.86 2k4w s ARG 147 CO 0.53 0.55 0.30 0.98 -0.04 0.00 0.00 175.30 177.62 2k4w n TYR 148 N 0.51 0.00 -3.47 5.89 9.36 0.58 -4.79 117.16 125.24 2k4w n TYR 148 Ca -0.10 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.99 2k4w n TYR 148 Cb 0.52 -0.31 -0.03 0.00 -0.63 0.00 0.00 39.34 38.89 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 -2.94 -1.70 0.32 2.98 0.00 -1.16 -4.28 121.76 114.99 2k4w s ALA 149 Ca -0.05 0.87 0.09 0.00 0.00 0.00 0.00 51.96 52.87 2k4w s ALA 149 Cb 0.09 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 2k4w s ALA 149 CO 0.57 -0.61 0.01 0.00 0.00 0.00 0.00 175.76 175.73 2k4w s GLY 151 N -3.71 -0.33 -0.14 0.00 0.00 0.33 -0.10 107.32 103.37 2k4w s GLY 151 Ca 0.34 1.42 -0.16 0.00 0.00 0.00 0.00 44.72 46.31 2k4w s GLY 151 CO 0.20 1.42 0.41 0.14 0.00 0.00 0.00 173.10 175.26 2k4w s VAL 152 N 0.89 5.23 0.06 1.40 1.01 -1.26 -1.09 120.40 126.64 2k4w s VAL 152 Ca -0.05 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 2k4w s VAL 152 Cb -0.06 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2k4w s VAL 152 CO -0.07 0.34 1.66 -0.63 0.00 0.00 0.00 175.10 176.40 2k4w s ILE 153 N 0.63 3.09 -1.28 2.22 1.01 -0.35 -4.82 121.20 121.70 2k4w s ILE 153 Ca 0.22 0.50 0.10 0.00 0.00 0.00 0.00 60.65 61.47 2k4w s ILE 153 Cb -0.14 -3.32 0.08 0.00 0.01 0.00 0.00 42.46 39.09 2k4w s ILE 153 CO 0.08 -0.01 0.82 0.29 0.00 0.00 0.00 174.94 176.13