#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 2.77 -0.07 0.00 0.01 -1.26 -0.13 113.70 115.02 2k4w s SER 2 Ca 0.00 -0.51 -0.22 0.00 1.31 0.00 0.00 55.95 56.53 2k4w s SER 2 Cb 0.00 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 66.02 2k4w s SER 2 CO 0.00 0.23 0.50 -0.70 0.41 0.00 0.00 173.24 173.68 2k4w s GLU 3 N -1.00 0.80 -0.56 12.44 2.56 -0.27 -5.02 118.70 127.66 2k4w s GLU 3 Ca 0.09 0.21 0.05 0.00 0.00 0.00 0.00 54.97 55.32 2k4w s GLU 3 Cb -0.09 0.37 0.19 0.00 2.00 0.00 0.00 34.13 36.61 2k4w s GLU 3 CO 0.01 -0.21 0.49 0.36 -0.56 0.00 0.00 175.26 175.34 2k4w n LYS 4 N 1.51 1.24 -2.84 4.30 2.85 -1.26 -0.10 118.16 123.86 2k4w n LYS 4 Ca -0.19 -3.91 -0.43 0.00 -1.05 0.00 0.00 58.31 52.74 2k4w n LYS 4 Cb 0.56 -1.93 -0.04 0.00 -0.65 0.00 0.00 35.03 32.97 2k4w n LYS 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2k4w s VAL 5 N -1.08 4.55 -0.50 0.58 1.01 -0.04 -4.80 120.40 120.13 2k4w s VAL 5 Ca 0.31 0.91 -0.27 0.00 0.00 0.00 0.00 61.98 62.94 2k4w s VAL 5 Cb 0.04 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 2k4w s VAL 5 CO -0.15 -0.67 2.15 -0.83 0.00 0.00 0.00 175.10 175.60 2k4w s GLY 6 N 2.06 -0.04 -0.09 4.51 0.00 -1.26 -0.67 107.32 111.83 2k4w s GLY 6 Ca 0.36 -0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.64 2k4w s GLY 6 CO 0.22 3.78 1.01 1.06 0.00 0.00 0.00 173.10 179.17 2k4w s MET 7 N 7.47 4.44 0.07 2.90 -1.94 -0.93 -4.54 119.30 126.77 2k4w s MET 7 Ca 0.85 1.40 0.03 0.00 -1.71 0.00 0.00 55.69 56.26 2k4w s MET 7 Cb -0.17 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 2k4w s MET 7 CO 0.25 -0.28 0.07 -0.80 -0.01 0.00 0.00 175.02 174.26 2k4w s ASN 8 N 1.09 5.51 -1.13 3.03 -0.87 0.27 -3.66 114.94 119.18 2k4w s ASN 8 Ca 0.49 0.00 -0.14 0.00 -1.57 0.00 0.00 52.86 51.65 2k4w s ASN 8 Cb -0.19 -1.48 -0.07 0.00 -0.02 0.00 0.00 41.25 39.49 2k4w s ASN 8 CO 0.20 0.19 2.23 0.18 -2.57 0.00 0.00 177.10 177.32 2k4w n LEU 9 N 0.58 5.82 -4.77 0.60 4.77 0.35 -1.58 117.00 122.77 2k4w n LEU 9 Ca -0.09 -3.46 -0.39 0.00 -0.03 0.00 0.00 56.01 52.04 2k4w n LEU 9 Cb 0.52 -1.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 2k4w n LEU 9 CO 0.43 0.68 0.81 0.68 -1.33 0.00 0.00 177.39 178.66 2k4w s VAL 10 N 3.65 3.40 0.00 4.08 -7.23 -1.26 -3.26 120.40 119.77 2k4w s VAL 10 Ca 0.52 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.99 2k4w s VAL 10 Cb 0.14 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2k4w s VAL 10 CO -0.00 0.23 0.00 1.07 -0.31 0.00 0.00 175.10 176.09 2k4w n THR 11 N 0.72 0.00 1.03 5.32 5.66 -0.78 -4.68 114.28 121.55 2k4w n THR 11 Ca 0.01 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.10 2k4w n THR 11 Cb 0.46 0.00 0.51 0.00 -1.55 0.00 0.00 70.33 69.75 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 2.09 -0.02 1.79 0.00 -1.26 -1.64 120.51 118.47 2k4w n ALA 12 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2k4w n ALA 12 Cb 0.00 -1.30 0.29 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.15 2.53 0.00 0.00 1.13 -1.26 -4.76 117.38 113.87 2k4w n GLN 13 Ca 0.11 -2.36 0.00 0.00 -1.94 0.00 0.00 57.00 52.81 2k4w n GLN 13 Cb 0.11 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.94 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 1.55 -1.80 3.70 1.08 0.00 -0.65 -4.91 105.19 104.15 2k4w n GLY 14 Ca 0.22 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 3.08 0.00 1.61 1.01 -1.26 -1.87 120.40 122.97 2k4w s VAL 15 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2k4w s VAL 15 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2k4w s VAL 15 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2k4w n GLY 16 N 3.85 1.93 3.87 4.51 0.00 -1.20 -4.94 105.19 113.21 2k4w n GLY 16 Ca 0.15 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 2k4w n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4w s GLN 17 N 4.72 3.83 0.35 1.61 0.74 -1.26 -4.67 119.66 124.98 2k4w s GLN 17 Ca 0.00 0.36 -0.25 0.00 0.05 0.00 0.00 55.36 55.52 2k4w s GLN 17 Cb 0.00 -2.57 -0.10 0.00 1.10 0.00 0.00 33.01 31.44 2k4w s GLN 17 CO 0.00 0.23 0.96 0.45 -0.55 0.00 0.00 175.29 176.38 2k4w s SER 18 N -2.49 7.19 0.00 6.67 0.15 -1.26 -0.50 113.70 123.46 2k4w s SER 18 Ca 0.49 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.97 2k4w s SER 18 Cb -0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2k4w s SER 18 CO 0.22 -0.18 0.17 2.30 1.20 0.00 0.00 173.24 176.95 2k4w n ILE 19 N 0.23 0.01 0.00 6.45 -6.64 -1.24 -4.97 119.36 113.20 2k4w n ILE 19 Ca 0.03 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.99 2k4w n ILE 19 Cb 0.51 1.66 0.00 0.00 -1.44 0.00 0.00 39.64 40.37 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2k4w n GLY 20 N -0.00 2.66 3.95 3.28 0.00 -1.26 -3.12 105.19 110.69 2k4w n GLY 20 Ca 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 5.16 -0.15 2.61 -4.23 -1.26 -2.20 115.64 113.56 2k4w s THR 21 Ca 0.00 -0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 59.88 2k4w s THR 21 Cb 0.00 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 2k4w s THR 21 CO 0.00 -0.42 0.04 -0.69 -0.54 0.00 0.00 174.62 173.00 2k4w s VAL 22 N -2.14 4.57 -0.10 2.29 1.01 0.15 -3.47 120.40 122.70 2k4w s VAL 22 Ca 0.38 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 2k4w s VAL 22 Cb -0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2k4w s VAL 22 CO 0.33 0.51 0.68 0.54 0.00 0.00 0.00 175.10 177.15 2k4w s VAL 23 N 0.04 5.04 -0.19 2.92 0.11 -0.36 -0.86 120.40 127.10 2k4w s VAL 23 Ca 0.04 1.37 -0.03 0.00 -2.93 0.00 0.00 61.98 60.44 2k4w s VAL 23 Cb -0.12 -4.01 -0.01 0.00 -1.53 0.00 0.00 36.38 30.70 2k4w s VAL 23 CO 0.01 0.21 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.29 2k4w s ILE 24 N 1.11 3.28 -0.18 7.04 1.01 0.86 -0.68 121.20 133.64 2k4w s ILE 24 Ca 0.35 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 2k4w s ILE 24 Cb -0.17 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.90 2k4w s ILE 24 CO 0.15 0.46 -0.01 -0.62 0.00 0.00 0.00 174.94 174.93 2k4w s ASP 25 N 1.04 2.88 0.30 3.58 2.15 -0.05 -1.11 116.67 125.47 2k4w s ASP 25 Ca 0.00 -0.75 -0.29 0.00 0.43 0.00 0.00 52.55 51.94 2k4w s ASP 25 Cb -0.15 -0.75 -0.10 0.00 -0.30 0.00 0.00 42.92 41.62 2k4w s ASP 25 CO -0.01 -0.25 1.43 -0.70 -0.17 0.00 0.00 175.17 175.47 2k4w s GLU 26 N 1.74 4.24 0.14 4.34 -6.30 0.81 -0.64 118.70 123.03 2k4w s GLU 26 Ca -0.01 2.37 -0.13 0.00 -2.50 0.00 0.00 54.97 54.70 2k4w s GLU 26 Cb -0.16 -3.06 0.02 0.00 0.00 0.00 0.00 34.13 30.93 2k4w s GLU 26 CO -0.07 -0.40 0.35 -0.08 0.02 0.00 0.00 175.26 175.07 2k4w s THR 27 N -0.56 0.08 0.02 -1.70 -1.32 -0.24 -1.62 115.64 110.30 2k4w s THR 27 Ca 0.55 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 2k4w s THR 27 Cb -0.43 -1.41 0.02 0.00 -1.51 0.00 0.00 72.50 69.17 2k4w s THR 27 CO 0.51 -0.36 0.10 -0.62 -2.21 0.00 0.00 174.62 172.04 2k4w n GLU 28 N -0.20 -0.00 -0.48 7.08 -0.58 -1.26 0.32 120.64 125.52 2k4w n GLU 28 Ca -0.13 0.09 0.11 0.00 -0.42 0.00 0.00 57.16 56.80 2k4w n GLU 28 Cb 0.63 -0.15 0.34 0.00 -0.57 0.00 0.00 31.44 31.69 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 -1.02 2.62 4.42 0.62 0.00 -1.26 -5.05 105.19 105.53 2k4w n GLY 29 Ca 0.02 -0.82 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 1.42 -0.55 3.56 -0.02 0.00 0.15 -3.31 105.19 106.45 2k4w n GLY 30 Ca 0.25 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 2k4w n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4w s LEU 31 N 0.00 3.32 -0.28 0.99 1.43 -1.12 -1.08 118.68 121.94 2k4w s LEU 31 Ca 0.00 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 2k4w s LEU 31 Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2k4w s LEU 31 CO 0.00 -1.96 1.26 -0.75 0.23 0.00 0.00 176.35 175.13 2k4w s LYS 32 N 6.07 3.98 -0.36 1.70 2.20 0.18 -0.98 119.74 132.54 2k4w s LYS 32 Ca 0.55 1.28 -0.10 0.00 -0.36 0.00 0.00 55.97 57.34 2k4w s LYS 32 Cb -0.11 -3.84 0.03 0.00 -1.51 0.00 0.00 37.83 32.39 2k4w s LYS 32 CO 0.22 -1.03 0.18 0.12 -0.36 0.00 0.00 175.35 174.48 2k4w s PHE 33 N 4.13 3.24 -0.30 4.03 5.36 0.67 -0.87 117.98 134.24 2k4w s PHE 33 Ca 0.54 -1.05 -0.02 0.00 -0.96 0.00 0.00 56.93 55.45 2k4w s PHE 33 Cb -0.17 -2.39 0.05 0.00 -0.34 0.00 0.00 43.02 40.17 2k4w s PHE 33 CO 0.21 -0.65 0.00 0.99 -1.46 0.00 0.00 175.22 174.30 2k4w s THR 34 N 1.52 3.02 0.34 0.12 2.01 0.14 -1.20 115.64 121.60 2k4w s THR 34 Ca 0.01 -1.35 -0.11 0.00 0.31 0.00 0.00 61.69 60.56 2k4w s THR 34 Cb -0.19 -2.72 -0.07 0.00 0.01 0.00 0.00 72.50 69.52 2k4w s THR 34 CO 0.06 -0.09 0.70 -2.16 -0.69 0.00 0.00 174.62 172.43 2k4w s PRO 35 N 1.26 3.82 -0.30 4.92 0.04 -1.26 -1.23 135.00 142.26 2k4w s PRO 35 Ca -0.05 0.43 0.18 0.00 0.04 0.00 0.00 61.00 61.60 2k4w s PRO 35 Cb -0.20 -2.48 0.46 0.00 0.04 0.00 0.00 34.50 32.33 2k4w s PRO 35 CO -0.01 0.11 1.33 -2.39 0.04 0.00 0.00 177.00 176.08 2k4w n HIS 36 N -0.81 -0.48 -4.11 0.56 1.44 -1.11 -3.91 115.22 106.80 2k4w n HIS 36 Ca 0.02 -1.94 -0.35 0.00 -2.01 0.00 0.00 57.72 53.44 2k4w n HIS 36 Cb 0.53 0.70 -0.07 0.00 0.12 0.00 0.00 29.99 31.27 2k4w n HIS 36 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k4w s LEU 37 N -3.94 3.98 0.25 2.39 1.02 -0.87 -4.70 118.68 116.80 2k4w s LEU 37 Ca 0.18 0.27 0.06 0.00 0.02 0.00 0.00 54.13 54.66 2k4w s LEU 37 Cb 0.39 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 2k4w s LEU 37 CO -0.08 0.36 0.27 -1.59 0.02 0.00 0.00 176.35 175.32 2k4w s LYS 38 N -1.21 3.14 0.00 1.70 0.00 -1.18 -0.34 119.74 121.86 2k4w s LYS 38 Ca 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 55.97 55.21 2k4w s LYS 38 Cb -0.12 -2.70 0.00 0.00 0.00 0.00 0.00 37.83 35.01 2k4w s LYS 38 CO 0.07 0.41 0.00 0.00 0.00 0.00 0.00 175.35 175.82 2k4w n ALA 39 N -1.28 0.00 -2.88 0.59 0.00 -0.11 -4.77 120.51 112.06 2k4w n ALA 39 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 2k4w n ALA 39 Cb 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k4w s LEU 40 N 0.00 4.28 0.30 0.00 1.02 -1.01 -5.05 118.68 118.22 2k4w s LEU 40 Ca 0.00 0.23 -0.30 0.00 0.02 0.00 0.00 54.13 54.09 2k4w s LEU 40 Cb 0.00 -3.00 -0.11 0.00 0.02 0.00 0.00 46.19 43.11 2k4w s LEU 40 CO 0.00 -0.02 1.49 -2.16 0.02 0.00 0.00 176.35 175.68 2k4w s PRO 41 N -3.49 4.19 -0.19 1.29 0.04 -1.26 -4.19 135.00 131.39 2k4w s PRO 41 Ca 0.36 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.85 2k4w s PRO 41 Cb -0.10 -3.05 0.20 0.00 0.04 0.00 0.00 34.50 31.59 2k4w s PRO 41 CO 0.29 -0.50 1.64 -0.35 0.04 0.00 0.00 177.00 178.12 2k4w n PRO 42 N 1.79 1.51 0.00 0.56 -0.04 -1.26 -4.78 135.00 132.77 2k4w n PRO 42 Ca 0.06 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 2k4w n PRO 42 Cb 0.39 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2k4w n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4w n GLY 43 N 0.26 1.79 3.42 0.55 0.00 -1.26 -4.09 105.19 105.85 2k4w n GLY 43 Ca 0.21 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 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 4.33 1.49 -0.02 1.61 -1.05 -1.26 -0.88 118.70 122.92 2k4w s GLU 44 Ca 0.00 -1.50 0.00 0.00 -0.15 0.00 0.00 54.97 53.32 2k4w s GLU 44 Cb 0.00 -1.82 0.02 0.00 -0.44 0.00 0.00 34.13 31.89 2k4w s GLU 44 CO 0.00 0.40 -0.00 -1.01 0.95 0.00 0.00 175.26 175.59 2k4w s HIS 45 N -1.64 0.24 0.99 4.83 3.76 -0.76 -1.63 115.29 121.08 2k4w s HIS 45 Ca 0.20 0.00 -0.11 0.00 -0.15 0.00 0.00 55.06 55.00 2k4w s HIS 45 Cb -0.08 -0.28 0.19 0.00 1.11 0.00 0.00 32.58 33.52 2k4w s HIS 45 CO 0.09 -0.08 1.10 0.20 -0.85 0.00 0.00 174.74 175.21 2k4w s GLY 46 N 0.62 1.64 -0.03 -2.22 0.00 -0.08 0.05 107.32 107.30 2k4w s GLY 46 Ca -0.06 0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.97 2k4w s GLY 46 CO -0.01 0.82 -0.03 -0.12 0.00 0.00 0.00 173.10 173.75 2k4w s PHE 47 N -2.62 0.53 0.07 1.90 5.36 -1.26 -1.66 117.98 120.30 2k4w s PHE 47 Ca 0.67 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.54 2k4w s PHE 47 Cb -0.23 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.93 2k4w s PHE 47 CO 0.60 -0.12 -0.05 -1.01 -1.46 0.00 0.00 175.22 173.18 2k4w s HIS 48 N 0.69 0.67 -0.05 10.12 3.76 -1.11 -0.94 115.29 128.43 2k4w s HIS 48 Ca -0.08 -0.91 -0.03 0.00 -0.15 0.00 0.00 55.06 53.90 2k4w s HIS 48 Cb -0.11 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.11 2k4w s HIS 48 CO -0.00 -0.24 0.09 0.42 -0.85 0.00 0.00 174.74 174.15 2k4w s ILE 49 N -3.35 4.88 0.20 0.60 1.01 0.27 -1.28 121.20 123.52 2k4w s ILE 49 Ca 0.06 -0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.60 2k4w s ILE 49 Cb 0.04 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2k4w s ILE 49 CO -0.06 0.48 -0.19 -1.00 0.00 0.00 0.00 174.94 174.16 2k4w s HIS 50 N -1.09 1.99 0.33 3.97 3.76 -0.77 -1.18 115.29 122.30 2k4w s HIS 50 Ca 0.19 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 2k4w s HIS 50 Cb -0.12 -0.96 0.57 0.00 1.11 0.00 0.00 32.58 33.19 2k4w s HIS 50 CO 0.09 0.44 1.86 0.00 -0.85 0.00 0.00 174.74 176.28 2k4w h ALA 51 N 2.99 1.34 -5.07 -1.40 0.00 -0.85 -3.33 119.26 112.94 2k4w h ALA 51 Ca -0.42 -0.21 -0.50 0.00 0.00 0.00 0.00 54.91 53.78 2k4w h ALA 51 Cb 1.22 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 2k4w h ALA 51 CO 0.53 0.45 -0.32 0.09 0.00 0.00 0.00 179.25 180.00 2k4w n ASN 52 N -4.27 2.86 -3.67 0.00 3.02 0.23 -4.82 115.26 108.61 2k4w n ASN 52 Ca 0.02 -2.67 -0.30 0.00 -0.03 0.00 0.00 54.58 51.60 2k4w n ASN 52 Cb 0.25 0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 2k4w n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k4w s GLY 53 N -3.38 1.04 0.00 7.41 0.00 -0.82 -0.83 107.32 110.74 2k4w s GLY 53 Ca 0.09 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.08 2k4w s GLY 53 CO 0.06 1.73 0.00 -1.26 0.00 0.00 0.00 173.10 173.63 2k4w n SER 54 N 4.64 0.00 -1.09 1.64 2.88 -1.26 -4.87 113.62 115.57 2k4w n SER 54 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k4w n SER 54 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k4w s GLN 56 N 0.55 4.33 0.28 0.00 -1.52 -1.26 -4.55 119.66 117.49 2k4w s GLN 56 Ca 0.00 1.01 -0.24 0.00 -1.95 0.00 0.00 55.36 54.18 2k4w s GLN 56 Cb 0.00 -3.55 -0.09 0.00 -0.22 0.00 0.00 33.01 29.15 2k4w s GLN 56 CO 0.00 -0.25 0.86 -1.25 -0.25 0.00 0.00 175.29 174.40 2k4w s PRO 57 N 1.89 4.47 0.51 2.91 0.04 -1.26 -1.44 135.00 142.12 2k4w s PRO 57 Ca 0.39 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.42 2k4w s PRO 57 Cb -0.17 -2.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 2k4w s PRO 57 CO 0.14 0.33 0.99 0.00 0.04 0.00 0.00 177.00 178.50 2k4w s ALA 58 N -1.57 3.02 -0.16 8.56 0.00 -1.25 -4.75 121.76 125.61 2k4w s ALA 58 Ca 0.47 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 2k4w s ALA 58 Cb -0.18 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2k4w s ALA 58 CO 0.23 -0.25 0.06 0.42 0.00 0.00 0.00 175.76 176.21 2k4w s ILE 59 N -2.53 4.75 0.33 0.00 -1.09 -1.26 0.06 121.20 121.47 2k4w s ILE 59 Ca 0.60 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 59.00 2k4w s ILE 59 Cb -0.11 -3.11 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 2k4w s ILE 59 CO 0.29 0.50 0.10 -0.54 -1.23 0.00 0.00 174.94 174.06 2k4w s LYS 60 N 0.06 1.67 -0.36 2.79 3.01 -0.25 -5.00 119.74 121.67 2k4w s LYS 60 Ca 0.05 -1.96 -0.39 0.00 -1.01 0.00 0.00 55.97 52.66 2k4w s LYS 60 Cb -0.12 -0.54 -0.15 0.00 -1.01 0.00 0.00 37.83 36.01 2k4w s LYS 60 CO 0.01 -0.33 2.00 -0.25 0.51 0.00 0.00 175.35 177.28 2k4w n ASP 61 N -0.85 1.94 0.00 2.83 8.00 -1.26 -1.57 116.55 125.63 2k4w n ASP 61 Ca -0.02 0.74 0.00 0.00 0.71 0.00 0.00 54.79 56.21 2k4w n ASP 61 Cb 0.66 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4w n GLY 62 N 5.78 0.31 3.33 0.44 0.00 -1.26 -4.97 105.19 108.83 2k4w n GLY 62 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.89 0.44 -0.31 1.61 -2.07 -0.61 -5.12 119.66 112.71 2k4w s GLN 63 Ca 0.00 0.88 -0.17 0.00 -1.82 0.00 0.00 55.36 54.25 2k4w s GLN 63 Cb 0.00 0.04 -0.02 0.00 -1.09 0.00 0.00 33.01 31.94 2k4w s GLN 63 CO 0.00 -0.16 0.48 0.00 -1.32 0.00 0.00 175.29 174.28 2k4w s ALA 64 N 1.55 3.53 -1.36 2.60 0.00 -1.26 -1.09 121.76 125.72 2k4w s ALA 64 Ca -0.09 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 2k4w s ALA 64 Cb -0.08 -2.90 0.04 0.00 0.00 0.00 0.00 23.12 20.17 2k4w s ALA 64 CO -0.14 -0.95 2.02 0.28 0.00 0.00 0.00 175.76 176.97 2k4w n VAL 65 N 5.27 3.54 0.00 0.00 0.31 0.11 -4.82 118.33 122.74 2k4w n VAL 65 Ca -0.06 -3.35 0.00 0.00 -0.01 0.00 0.00 64.34 60.92 2k4w n VAL 65 Cb 0.50 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 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 7.26 0.00 0.00 3.52 0.00 -1.26 -2.03 120.51 127.99 2k4w n ALA 66 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2k4w n ALA 66 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.33 0.00 0.26 0.00 0.00 -1.26 -4.42 120.51 115.42 2k4w n ALA 67 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2k4w n ALA 67 Cb 0.00 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.32 2k4w n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4w h GLU 68 N 0.00 0.00 0.00 0.00 4.81 -0.75 0.07 114.58 118.71 2k4w h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k4w h GLU 68 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k4w h GLU 68 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2k4w n ALA 69 N -2.33 1.48 1.29 2.92 0.00 -0.52 -0.86 120.51 122.50 2k4w n ALA 69 Ca -0.01 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2k4w n ALA 69 Cb 0.18 -1.30 0.42 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.68 2.98 0.00 0.00 0.00 0.01 -4.17 120.51 117.65 2k4w n ALA 70 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2k4w n ALA 70 Cb 0.16 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.31 -2.48 3.56 0.00 0.00 -0.04 -0.60 105.19 106.95 2k4w n GLY 71 Ca 0.13 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.90 -1.88 3.66 -0.02 0.00 -1.26 -4.57 105.19 100.22 2k4w n GLY 72 Ca 0.00 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 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 -4.05 1.96 -1.64 1.61 8.25 -1.26 -1.15 115.22 118.94 2k4w n HIS 73 Ca 0.15 0.55 -0.43 0.00 -0.26 0.00 0.00 57.72 57.74 2k4w n HIS 73 Cb 0.55 -2.39 -0.03 0.00 1.12 0.00 0.00 29.99 29.24 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 1.43 3.83 -3.36 2.41 7.94 -0.32 -4.63 117.00 124.28 2k4w n LEU 74 Ca 0.09 0.65 -0.13 0.00 -1.11 0.00 0.00 56.01 55.51 2k4w n LEU 74 Cb 0.33 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.66 2k4w n LEU 74 CO 0.62 -0.12 -0.12 -0.62 -1.11 0.00 0.00 177.39 176.03 2k4w s ASP 75 N 5.84 1.03 0.03 1.96 2.15 -1.26 -1.67 116.67 124.75 2k4w s ASP 75 Ca 0.93 -0.48 -0.21 0.00 0.43 0.00 0.00 52.55 53.23 2k4w s ASP 75 Cb -0.41 0.79 -0.15 0.00 -0.30 0.00 0.00 42.92 42.84 2k4w s ASP 75 CO 0.40 -0.36 1.31 1.55 -0.17 0.00 0.00 175.17 177.90 2k4w h PRO 76 N 8.22 0.33 0.00 4.34 0.13 -1.94 -3.44 132.00 139.64 2k4w h PRO 76 Ca -0.13 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2k4w h PRO 76 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k4w h PRO 76 CO 0.30 0.75 0.00 1.04 -0.23 0.00 0.00 178.00 179.86 2k4w n GLN 77 N -4.56 0.00 -0.35 0.86 6.02 -1.26 -5.03 117.38 113.06 2k4w n GLN 77 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.96 2k4w n GLN 77 Cb 0.38 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.84 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 0.99 0.00 1.08 4.21 -1.85 -3.46 115.58 116.56 2k4w h ASN 78 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2k4w h ASN 78 Cb 0.79 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2k4w h ASN 78 CO 0.00 0.62 0.00 1.07 -1.29 0.00 0.00 177.43 177.83 2k4w n THR 79 N -4.51 0.00 -0.29 2.81 5.66 -1.26 -4.65 114.28 112.03 2k4w n THR 79 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 2k4w n THR 79 Cb 0.22 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 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 0.85 0.01 1.09 0.00 -0.63 -5.01 105.19 101.50 2k4w n GLY 80 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k4w n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k4w h LYS 81 N 2.90 0.00 0.00 1.61 1.79 -1.85 -3.48 116.57 117.55 2k4w h LYS 81 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k4w h LYS 81 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2k4w h LYS 81 CO 0.00 0.00 0.00 1.58 -1.08 0.00 0.00 179.45 179.95 2k4w n HIS 82 N -2.77 0.00 -3.90 -1.35 -0.00 -1.26 -4.20 115.22 101.73 2k4w n HIS 82 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.56 2k4w n HIS 82 Cb 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.85 2k4w n HIS 82 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2k4w s GLU 83 N -2.00 0.16 0.00 1.57 -1.05 -1.26 -3.66 118.70 112.46 2k4w s GLU 83 Ca 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.88 2k4w s GLU 83 Cb 0.00 -0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.38 2k4w s GLU 83 CO 0.00 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.53 2k4w n GLY 84 N 3.78 0.57 0.97 -3.83 0.00 -1.26 -4.74 105.19 100.68 2k4w n GLY 84 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.84 -4.05 1.61 -0.04 -1.26 -4.81 135.00 127.29 2k4w n PRO 85 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2k4w n PRO 85 Cb 0.00 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.55 0.62 -3.77 0.54 1.02 -1.26 -5.15 120.64 113.20 2k4w n GLU 86 Ca 0.00 -2.94 -0.29 0.00 -0.02 0.00 0.00 57.16 53.91 2k4w n GLU 86 Cb 0.41 2.70 -0.16 0.00 -0.02 0.00 0.00 31.44 34.37 2k4w n GLU 86 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k4w s GLY 87 N -3.21 0.92 0.00 0.62 0.00 -1.26 -4.85 107.32 99.54 2k4w s GLY 87 Ca 0.32 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2k4w s GLY 87 CO 0.23 1.38 0.00 -1.06 0.00 0.00 0.00 173.10 173.65 2k4w n GLN 88 N 4.92 0.00 0.00 2.90 1.13 -1.26 -5.07 117.38 120.00 2k4w n GLN 88 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2k4w n GLN 88 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.80 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 0.00 0.11 3.28 1.08 0.00 -1.24 -4.68 105.19 103.74 2k4w n GLY 89 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.83 -1.19 -0.78 1.61 3.76 -1.26 -1.61 115.29 114.99 2k4w s HIS 90 Ca 0.00 1.68 0.07 0.00 -0.15 0.00 0.00 55.06 56.67 2k4w s HIS 90 Cb 0.00 0.47 0.37 0.00 1.11 0.00 0.00 32.58 34.53 2k4w s HIS 90 CO 0.00 -0.70 1.22 1.47 -0.85 0.00 0.00 174.74 175.89 2k4w n LEU 91 N 5.41 0.16 -0.09 0.89 -0.00 -0.98 -2.52 117.00 119.87 2k4w n LEU 91 Ca -0.06 0.57 0.16 0.00 -0.00 0.00 0.00 56.01 56.67 2k4w n LEU 91 Cb 0.50 -0.59 0.86 0.00 -0.00 0.00 0.00 43.42 44.19 2k4w n LEU 91 CO 0.01 -0.60 1.06 0.61 -0.00 0.00 0.00 177.39 178.47 2k4w n GLY 92 N -1.30 -0.81 3.75 1.47 0.00 -0.67 -4.91 105.19 102.72 2k4w n GLY 92 Ca -0.00 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.02 7.20 0.25 1.61 1.01 -1.05 -0.57 116.67 123.10 2k4w s ASP 93 Ca 0.45 1.43 0.09 0.00 0.71 0.00 0.00 52.55 55.24 2k4w s ASP 93 Cb 0.22 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 2k4w s ASP 93 CO 0.37 0.03 -0.15 -0.76 0.21 0.00 0.00 175.17 174.87 2k4w s LEU 94 N -0.12 2.57 0.81 1.23 1.43 -0.11 -4.99 118.68 119.49 2k4w s LEU 94 Ca 0.38 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 2k4w s LEU 94 Cb -0.20 -0.83 0.08 0.00 0.03 0.00 0.00 46.19 45.26 2k4w s LEU 94 CO 0.23 -0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 2k4w s PRO 95 N -3.61 1.99 -0.04 1.29 0.04 -1.26 -4.00 135.00 129.41 2k4w s PRO 95 Ca 0.26 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2k4w s PRO 95 Cb -0.02 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2k4w s PRO 95 CO 0.11 -1.77 1.03 0.14 0.04 0.00 0.00 177.00 176.55 2k4w s VAL 96 N -2.96 4.71 -1.23 -0.36 -7.23 -1.26 -4.23 120.40 107.84 2k4w s VAL 96 Ca 0.61 1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 62.55 2k4w s VAL 96 Cb -0.17 -4.26 0.05 0.00 0.56 0.00 0.00 36.38 32.57 2k4w s VAL 96 CO 0.56 0.08 1.70 -0.22 -0.31 0.00 0.00 175.10 176.91 2k4w s LEU 97 N 1.49 3.70 0.35 1.32 1.98 0.11 -4.85 118.68 122.78 2k4w s LEU 97 Ca 0.52 -2.16 -0.29 0.00 -2.89 0.00 0.00 54.13 49.31 2k4w s LEU 97 Cb -0.21 -2.58 -0.11 0.00 0.66 0.00 0.00 46.19 43.96 2k4w s LEU 97 CO 0.24 -1.41 1.39 -0.69 -1.89 0.00 0.00 176.35 173.99 2k4w s VAL 98 N 4.98 2.45 0.19 1.68 1.01 -1.26 -1.82 120.40 127.62 2k4w s VAL 98 Ca 0.54 0.44 0.08 0.00 0.00 0.00 0.00 61.98 63.04 2k4w s VAL 98 Cb 0.03 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2k4w s VAL 98 CO 0.05 0.10 -0.16 0.68 0.00 0.00 0.00 175.10 175.77 2k4w s VAL 99 N -1.07 1.78 0.62 2.92 -7.23 -0.06 -4.70 120.40 112.65 2k4w s VAL 99 Ca 0.51 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 2k4w s VAL 99 Cb -0.43 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2k4w s VAL 99 CO 0.56 -0.48 1.03 0.54 -0.31 0.00 0.00 175.10 176.45 2k4w s ASN 100 N -3.04 6.13 0.66 4.85 6.03 -0.47 -4.33 114.94 124.77 2k4w s ASN 100 Ca 0.20 1.47 0.22 0.00 -1.03 0.00 0.00 52.86 53.72 2k4w s ASN 100 Cb -0.03 -2.48 1.20 0.00 -3.03 0.00 0.00 41.25 36.92 2k4w s ASN 100 CO 0.07 -0.94 1.68 -1.13 -2.03 0.00 0.00 177.10 174.75 2k4w h ASN 101 N -0.27 0.00 -0.07 3.54 -1.24 -1.91 -0.63 115.58 115.01 2k4w h ASN 101 Ca -0.44 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2k4w h ASN 101 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 2k4w h ASN 101 CO 0.61 0.00 0.00 -0.67 -1.29 0.00 0.00 177.43 176.08 2k4w n ASP 102 N -2.86 2.58 -0.00 1.15 2.03 -1.26 -4.77 116.55 113.41 2k4w n ASP 102 Ca -0.00 -1.77 0.00 0.00 0.52 0.00 0.00 54.79 53.54 2k4w n ASP 102 Cb 0.58 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 1.02 0.89 3.00 0.27 0.00 -0.24 -4.92 105.19 105.20 2k4w n GLY 103 Ca 0.11 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.78 0.82 -0.30 -0.61 1.01 -1.25 -0.93 121.20 118.16 2k4w s ILE 104 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 2k4w s ILE 104 Cb 0.00 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 2k4w s ILE 104 CO 0.00 0.26 0.45 0.00 0.00 0.00 0.00 174.94 175.65 2k4w s ALA 105 N 0.22 3.54 0.00 9.38 0.00 0.54 -1.37 121.76 134.07 2k4w s ALA 105 Ca -0.04 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2k4w s ALA 105 Cb -0.09 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.18 2k4w s ALA 105 CO 0.01 -0.88 0.66 -2.37 0.00 0.00 0.00 175.76 173.17 2k4w n THR 106 N 5.23 0.00 -4.19 0.00 5.66 -1.25 -2.04 114.28 117.69 2k4w n THR 106 Ca -0.06 -0.03 -0.16 0.00 -3.05 0.00 0.00 64.05 60.75 2k4w n THR 106 Cb 0.50 0.17 -0.13 0.00 -1.55 0.00 0.00 70.33 69.31 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 0.56 0.57 1.09 0.41 -1.26 -4.97 118.70 115.10 2k4w s GLU 107 Ca 0.01 -0.44 -0.07 0.00 -0.41 0.00 0.00 54.97 54.06 2k4w s GLU 107 Cb 0.01 -0.49 -0.01 0.00 -1.78 0.00 0.00 34.13 31.86 2k4w s GLU 107 CO -0.00 0.12 0.90 -1.25 -0.49 0.00 0.00 175.26 174.54 2k4w s PRO 108 N -0.67 3.22 0.23 0.39 0.04 -1.26 -4.39 135.00 132.57 2k4w s PRO 108 Ca -0.01 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2k4w s PRO 108 Cb -0.05 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2k4w s PRO 108 CO 0.00 -0.55 0.18 0.14 0.04 0.00 0.00 177.00 176.81 2k4w s VAL 109 N -2.97 0.00 0.00 -0.36 -7.23 -0.34 -5.02 120.40 104.48 2k4w s VAL 109 Ca 0.52 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2k4w s VAL 109 Cb -0.11 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 2k4w s VAL 109 CO 0.47 0.00 0.03 -0.89 -0.31 0.00 0.00 175.10 174.40 2k4w s THR 110 N -3.98 0.07 -0.78 5.32 2.01 -1.26 -0.24 115.64 116.77 2k4w s THR 110 Ca 0.39 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 2k4w s THR 110 Cb 0.06 -0.23 0.20 0.00 0.01 0.00 0.00 72.50 72.54 2k4w s THR 110 CO 0.16 -0.30 0.66 0.00 -0.69 0.00 0.00 174.62 174.45 2k4w s ALA 111 N -0.93 3.97 -2.00 7.40 0.00 -0.15 -4.74 121.76 125.31 2k4w s ALA 111 Ca -0.10 -3.47 0.16 0.00 0.00 0.00 0.00 51.96 48.54 2k4w s ALA 111 Cb -0.06 -3.01 0.94 0.00 0.00 0.00 0.00 23.12 21.00 2k4w s ALA 111 CO -0.00 -2.17 1.38 -0.35 0.00 0.00 0.00 175.76 174.61 2k4w n PRO 112 N 3.26 0.62 0.03 0.00 -0.04 -1.21 -2.68 135.00 135.00 2k4w n PRO 112 Ca 0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2k4w n PRO 112 Cb 0.40 -1.39 0.50 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.89 0.06 -4.35 0.54 1.74 -1.26 -4.83 116.66 107.66 2k4w n ARG 113 Ca 0.12 0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 2k4w n ARG 113 Cb 0.05 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 29.82 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 -3.41 2.97 0.00 0.55 2.01 -1.09 -5.06 118.68 114.65 2k4w s LEU 114 Ca 0.11 -1.01 0.00 0.00 0.01 0.00 0.00 54.13 53.24 2k4w s LEU 114 Cb 0.15 -1.33 0.00 0.00 0.01 0.00 0.00 46.19 45.02 2k4w s LEU 114 CO 0.47 -0.24 0.25 1.17 1.01 0.00 0.00 176.35 179.02 2k4w n LYS 115 N -0.94 0.00 -3.55 1.70 3.00 -1.26 -3.86 118.16 113.25 2k4w n LYS 115 Ca -0.04 -0.22 -0.17 0.00 -0.00 0.00 0.00 58.31 57.87 2k4w n LYS 115 Cb 0.62 -0.20 -0.06 0.00 0.00 0.00 0.00 35.03 35.39 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k4w s SER 116 N -0.04 -0.63 0.60 3.14 0.15 -1.26 -4.90 113.70 110.76 2k4w s SER 116 Ca 0.00 0.72 0.31 0.00 0.70 0.00 0.00 55.95 57.68 2k4w s SER 116 Cb 0.00 0.58 1.77 0.00 -1.71 0.00 0.00 66.02 66.67 2k4w s SER 116 CO 0.00 -0.57 2.15 -0.07 1.20 0.00 0.00 173.24 175.95 2k4w h LEU 117 N 3.21 0.00 -1.83 3.45 -0.00 -1.99 -2.65 115.31 115.50 2k4w h LEU 117 Ca -0.27 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 57.83 2k4w h LEU 117 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.76 2k4w h LEU 117 CO 0.37 0.00 0.58 0.44 -0.00 0.00 0.00 178.44 179.83 2k4w h ASP 118 N 0.00 0.14 0.85 -0.43 3.32 -1.99 0.15 116.42 118.46 2k4w h ASP 118 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2k4w h ASP 118 Cb 0.35 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2k4w h ASP 118 CO -0.00 0.06 0.00 -0.62 -1.72 0.00 0.00 179.24 176.96 2k4w n GLU 119 N -4.37 0.18 -0.06 3.56 1.02 -1.00 -3.79 120.64 116.18 2k4w n GLU 119 Ca 0.17 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2k4w n GLU 119 Cb 0.81 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2k4w n VAL 120 N -2.13 0.16 0.15 2.62 0.24 -0.04 -4.95 118.33 114.38 2k4w n VAL 120 Ca 0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2k4w n VAL 120 Cb 0.26 0.86 0.02 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.09 0.08 -0.63 7.34 2.85 -0.71 -1.97 118.16 125.03 2k4w n LYS 121 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2k4w n LYS 121 Cb 0.49 -1.14 -0.01 0.00 -0.65 0.00 0.00 35.03 33.72 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 -0.64 -0.14 -4.76 -5.58 2.03 -1.26 -4.86 116.55 101.34 2k4w n ASP 122 Ca 0.01 -1.36 -0.25 0.00 0.52 0.00 0.00 54.79 53.71 2k4w n ASP 122 Cb 0.00 0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.35 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k4w s LYS 123 N 0.00 2.25 0.07 -0.67 1.02 -0.83 -1.95 119.74 119.63 2k4w s LYS 123 Ca 0.01 -1.84 0.01 0.00 0.02 0.00 0.00 55.97 54.18 2k4w s LYS 123 Cb 0.02 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 2k4w s LYS 123 CO -0.01 -0.15 0.16 0.00 -0.92 0.00 0.00 175.35 174.44 2k4w s ALA 124 N -2.60 3.84 0.03 5.17 0.00 -0.01 -0.94 121.76 127.25 2k4w s ALA 124 Ca 0.41 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2k4w s ALA 124 Cb 0.03 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2k4w s ALA 124 CO 0.22 0.78 -0.10 -0.51 0.00 0.00 0.00 175.76 176.16 2k4w s LEU 125 N -2.51 3.02 -0.03 0.00 1.43 0.00 -1.85 118.68 118.76 2k4w s LEU 125 Ca 0.33 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2k4w s LEU 125 Cb -0.13 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 2k4w s LEU 125 CO 0.26 0.26 -0.11 -0.04 0.23 0.00 0.00 176.35 176.95 2k4w s MET 126 N -1.54 1.13 -0.21 1.70 -1.94 -0.40 -0.63 119.30 117.41 2k4w s MET 126 Ca 0.17 -0.39 -0.16 0.00 -1.71 0.00 0.00 55.69 53.60 2k4w s MET 126 Cb -0.11 -1.04 -0.04 0.00 2.01 0.00 0.00 34.83 35.65 2k4w s MET 126 CO 0.08 0.17 0.41 0.42 -0.01 0.00 0.00 175.02 176.09 2k4w s ILE 127 N 0.07 5.18 0.03 2.53 1.01 -0.15 -2.77 121.20 127.09 2k4w s ILE 127 Ca -0.02 0.71 0.09 0.00 0.00 0.00 0.00 60.65 61.44 2k4w s ILE 127 Cb -0.08 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2k4w s ILE 127 CO 0.01 0.23 -0.26 -1.00 0.00 0.00 0.00 174.94 173.91 2k4w s HIS 128 N 1.46 2.29 0.26 3.97 3.76 -0.66 -0.78 115.29 125.59 2k4w s HIS 128 Ca 0.19 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 2k4w s HIS 128 Cb -0.15 -1.40 0.33 0.00 1.11 0.00 0.00 32.58 32.47 2k4w s HIS 128 CO 0.08 0.08 1.79 0.28 -0.85 0.00 0.00 174.74 176.12 2k4w h VAL 129 N 4.31 1.24 -4.15 -0.90 2.07 -0.18 -2.84 116.25 115.80 2k4w h VAL 129 Ca -0.45 -0.89 -0.69 0.00 0.82 0.00 0.00 66.70 65.48 2k4w h VAL 129 Cb 1.14 0.69 -0.25 0.00 -1.52 0.00 0.00 31.29 31.35 2k4w h VAL 129 CO 0.45 0.33 -0.80 -0.83 0.02 0.00 0.00 177.57 176.73 2k4w s GLY 130 N -3.62 1.48 0.16 2.17 0.00 -1.15 -4.66 107.32 101.70 2k4w s GLY 130 Ca -0.10 -1.06 -0.33 0.00 0.00 0.00 0.00 44.72 43.23 2k4w s GLY 130 CO 0.81 -0.87 1.12 0.61 0.00 0.00 0.00 173.10 174.77 2k4w n GLY 131 N 2.18 -0.06 0.00 0.20 0.00 -0.64 -0.90 105.19 105.96 2k4w n GLY 131 Ca -0.17 0.54 0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 1.98 0.00 0.00 1.61 -0.08 -1.26 -3.29 116.55 115.51 2k4w n ASP 132 Ca 0.15 -0.94 0.05 0.00 -1.51 0.00 0.00 54.79 52.54 2k4w n ASP 132 Cb 0.23 0.00 0.28 0.00 2.34 0.00 0.00 41.12 43.98 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2k4w n ASN 133 N -0.91 0.00 -0.92 1.67 6.94 -1.26 -0.88 115.26 119.90 2k4w n ASN 133 Ca 0.16 -0.19 0.08 0.00 -0.02 0.00 0.00 54.58 54.60 2k4w n ASN 133 Cb 0.07 -0.07 0.22 0.00 -2.36 0.00 0.00 39.78 37.64 2k4w n ASN 133 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 2k4w n MET 134 N -1.07 2.18 0.20 -3.83 0.00 -1.21 -4.79 117.12 108.60 2k4w n MET 134 Ca 0.07 -1.77 0.14 0.00 0.00 0.00 0.00 57.70 56.14 2k4w n MET 134 Cb 0.05 -1.40 0.54 0.00 0.00 0.00 0.00 33.22 32.40 2k4w n MET 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2k4w h SER 135 N 2.85 0.00 0.54 3.17 4.64 -1.12 -1.92 113.55 121.72 2k4w h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k4w h SER 135 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2k4w h SER 135 CO 0.01 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.07 2k4w n ASP 136 N -3.01 0.06 -4.57 4.97 5.75 -1.26 -4.44 116.55 114.04 2k4w n ASP 136 Ca 0.04 0.51 -0.38 0.00 -0.01 0.00 0.00 54.79 54.95 2k4w n ASP 136 Cb 0.76 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 40.36 2k4w n ASP 136 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k4w n GLN 137 N -1.57 0.87 -0.02 0.11 1.13 -0.72 -4.85 117.38 112.33 2k4w n GLN 137 Ca 0.04 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.43 2k4w n GLN 137 Cb 0.18 -2.02 0.00 0.00 0.11 0.00 0.00 30.24 28.52 2k4w n GLN 137 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2k4w n PRO 138 N -0.54 0.72 -4.26 -1.09 -0.04 -1.26 -4.69 135.00 123.84 2k4w n PRO 138 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 2k4w n PRO 138 Cb 0.46 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.63 2k4w n PRO 138 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k4w s LYS 139 N 0.30 0.58 0.91 0.54 3.01 -1.26 -5.12 119.74 118.70 2k4w s LYS 139 Ca 0.00 -0.27 -0.11 0.00 -1.01 0.00 0.00 55.97 54.58 2k4w s LYS 139 Cb 0.00 -0.55 0.14 0.00 -1.01 0.00 0.00 37.83 36.40 2k4w s LYS 139 CO 0.00 0.15 1.11 -1.25 0.51 0.00 0.00 175.35 175.87 2k4w s PRO 140 N -0.21 1.11 -1.06 -1.68 0.04 -1.26 -3.23 135.00 128.70 2k4w s PRO 140 Ca 0.02 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2k4w s PRO 140 Cb -0.03 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2k4w s PRO 140 CO -0.00 -2.46 0.00 1.28 0.04 0.00 0.00 177.00 175.86 2k4w n LEU 141 N -4.08 -0.42 0.00 -3.56 4.77 -1.26 -3.25 117.00 109.20 2k4w n LEU 141 Ca 0.09 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2k4w n LEU 141 Cb 0.53 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 2k4w n LEU 141 CO 0.53 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 2k4w n GLY 142 N -0.54 0.82 5.00 -0.72 0.00 -1.24 -4.17 105.19 104.34 2k4w n GLY 142 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.35 1.77 0.00 -0.02 0.00 -1.20 -3.86 105.19 99.53 2k4w n GLY 143 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -0.56 0.00 -0.02 0.00 -1.26 -4.07 105.19 99.28 2k4w n GLY 144 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 0.11 -0.76 3.77 -0.02 0.00 -1.26 -2.20 105.19 104.84 2k4w n GLY 145 Ca 0.13 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 3.04 0.01 2.61 -4.23 -1.26 -4.90 115.64 108.92 2k4w s THR 146 Ca 0.02 0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 61.19 2k4w s THR 146 Cb 0.01 -3.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.43 2k4w s THR 146 CO 0.02 -0.03 0.33 0.00 -0.54 0.00 0.00 174.62 174.39 2k4w s ARG 147 N -2.80 3.70 -0.13 3.99 3.03 -1.26 -0.32 118.95 125.16 2k4w s ARG 147 Ca 0.66 0.11 0.17 0.00 2.03 0.00 0.00 55.73 58.70 2k4w s ARG 147 Cb -0.29 -3.10 -0.25 0.00 -1.03 0.00 0.00 34.95 30.28 2k4w s ARG 147 CO 0.34 0.65 0.19 0.98 -1.13 0.00 0.00 175.30 176.33 2k4w n TYR 148 N 1.31 0.00 -3.71 5.89 9.36 0.04 -4.77 117.16 125.28 2k4w n TYR 148 Ca -0.12 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.96 2k4w n TYR 148 Cb 0.53 -0.74 -0.08 0.00 -0.63 0.00 0.00 39.34 38.42 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 -2.75 -1.01 0.04 2.98 0.00 -0.97 -4.33 121.76 115.71 2k4w s ALA 149 Ca -0.08 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.57 2k4w s ALA 149 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2k4w s ALA 149 CO 0.76 -0.28 -0.26 0.00 0.00 0.00 0.00 175.76 175.98 2k4w s GLY 151 N -1.19 0.47 -0.02 0.00 0.00 0.20 -0.56 107.32 106.21 2k4w s GLY 151 Ca 0.11 -0.78 -0.27 0.00 0.00 0.00 0.00 44.72 43.79 2k4w s GLY 151 CO 0.02 1.88 0.85 0.14 0.00 0.00 0.00 173.10 175.99 2k4w s VAL 152 N 2.09 4.93 0.14 1.40 1.01 -1.26 -0.81 120.40 127.89 2k4w s VAL 152 Ca 0.06 1.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 2k4w s VAL 152 Cb -0.16 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 2k4w s VAL 152 CO -0.24 0.21 1.18 -0.63 0.00 0.00 0.00 175.10 175.63 2k4w s ILE 153 N 0.84 3.78 0.00 2.22 1.01 -0.11 -4.81 121.20 124.12 2k4w s ILE 153 Ca 0.45 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.52 2k4w s ILE 153 Cb -0.20 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2k4w s ILE 153 CO 0.24 0.19 0.00 0.29 0.00 0.00 0.00 174.94 175.66