#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuq n SER 2 N 0.00 -4.30 -4.81 1.61 2.88 -1.26 -5.01 113.62 102.73 2kuq n SER 2 Ca 0.00 0.12 -0.33 0.00 -1.33 0.00 0.00 58.87 57.33 2kuq n SER 2 Cb 0.00 -3.28 -0.02 0.00 -0.75 0.00 0.00 64.21 60.16 2kuq n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2kuq s SER 3 N -2.58 6.20 0.00 -3.46 1.04 -1.26 -5.06 113.70 108.58 2kuq s SER 3 Ca 0.00 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2kuq s SER 3 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2kuq s SER 3 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2kuq n GLY 4 N -0.75 0.84 0.03 7.32 0.00 -1.26 -5.04 105.19 106.32 2kuq n GLY 4 Ca 0.09 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.32 2kuq n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kuq n SER 5 N 0.00 0.52 -4.75 1.61 3.41 -1.26 -4.85 113.62 108.30 2kuq n SER 5 Ca 0.00 0.02 -0.37 0.00 -0.26 0.00 0.00 58.87 58.26 2kuq n SER 5 Cb 0.00 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 2kuq n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kuq s SER 6 N -3.51 6.60 0.00 4.04 0.01 -1.26 -4.96 113.70 114.62 2kuq s SER 6 Ca 0.10 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2kuq s SER 6 Cb 0.16 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2kuq s SER 6 CO 0.68 0.10 0.00 0.61 0.41 0.00 0.00 173.24 175.04 2kuq n GLY 7 N 3.05 0.66 3.13 3.44 0.00 -1.26 -5.13 105.19 109.08 2kuq n GLY 7 Ca -0.10 -2.15 -0.08 0.00 0.00 0.00 0.00 46.02 43.69 2kuq n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kuq s LEU 8 N 0.00 2.12 0.02 0.99 1.43 -1.26 -5.19 118.68 116.80 2kuq s LEU 8 Ca 0.00 -0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 2kuq s LEU 8 Cb 0.00 0.49 -0.02 0.00 0.03 0.00 0.00 46.19 46.69 2kuq s LEU 8 CO 0.00 -0.64 0.02 0.20 0.23 0.00 0.00 176.35 176.16 2kuq s ASN 9 N -2.89 0.20 -0.11 2.29 -0.87 -1.26 -5.16 114.94 107.14 2kuq s ASN 9 Ca 0.06 -0.47 -0.03 0.00 -1.57 0.00 0.00 52.86 50.85 2kuq s ASN 9 Cb 0.07 0.14 0.04 0.00 -0.02 0.00 0.00 41.25 41.48 2kuq s ASN 9 CO -0.10 -0.36 0.05 -0.60 -2.57 0.00 0.00 177.10 173.52 2kuq s ARG 10 N -1.72 0.28 -0.27 -0.60 6.06 -1.26 -5.13 118.95 116.30 2kuq s ARG 10 Ca -0.13 0.03 -0.23 0.00 -2.50 0.00 0.00 55.73 52.90 2kuq s ARG 10 Cb -0.07 -1.29 0.08 0.00 0.06 0.00 0.00 34.95 33.73 2kuq s ARG 10 CO -0.01 -0.47 0.78 0.34 -2.50 0.00 0.00 175.30 173.44 2kuq s ASP 11 N 2.05 -0.72 0.10 -2.12 -1.08 -1.26 -5.07 116.67 108.57 2kuq s ASP 11 Ca 0.03 1.33 0.26 0.00 -0.52 0.00 0.00 52.55 53.65 2kuq s ASP 11 Cb -0.14 1.34 0.72 0.00 -1.46 0.00 0.00 42.92 43.38 2kuq s ASP 11 CO -0.06 -0.23 1.62 -0.24 0.52 0.00 0.00 175.17 176.78 2kuq n SER 12 N 2.92 0.54 -4.63 -0.34 2.88 -1.26 -4.85 113.62 108.88 2kuq n SER 12 Ca -0.15 0.29 -0.42 0.00 -1.33 0.00 0.00 58.87 57.27 2kuq n SER 12 Cb 0.56 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.69 2kuq n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kuq s VAL 13 N -3.08 4.84 0.56 2.46 1.01 -1.26 -5.05 120.40 119.87 2kuq s VAL 13 Ca 0.10 1.39 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 2kuq s VAL 13 Cb 0.15 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2kuq s VAL 13 CO 0.63 -0.12 1.17 -2.16 0.00 0.00 0.00 175.10 174.62 2kuq s PRO 14 N 2.84 3.23 0.00 2.72 0.04 -1.26 -4.94 135.00 137.62 2kuq s PRO 14 Ca 0.33 1.72 0.13 0.00 0.04 0.00 0.00 61.00 63.21 2kuq s PRO 14 Cb -0.15 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 32.97 2kuq s PRO 14 CO 0.09 -0.98 1.38 -0.40 0.04 0.00 0.00 177.00 177.13 2kuq n ASP 15 N -1.36 0.00 -1.30 6.66 5.75 -1.26 -2.77 116.55 122.26 2kuq n ASP 15 Ca 0.12 0.35 0.04 0.00 -0.01 0.00 0.00 54.79 55.29 2kuq n ASP 15 Cb 0.50 -0.42 0.08 0.00 -1.03 0.00 0.00 41.12 40.25 2kuq n ASP 15 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kuq n ASN 16 N -1.42 1.34 -4.53 -1.12 5.15 -1.26 -5.07 115.26 108.34 2kuq n ASN 16 Ca 0.04 -2.62 -0.55 0.00 -0.60 0.00 0.00 54.58 50.85 2kuq n ASN 16 Cb 0.13 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 38.94 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2kuq n HIS 17 N -0.07 0.94 0.49 1.20 -0.00 -1.12 -4.90 115.22 111.76 2kuq n HIS 17 Ca 0.11 0.86 0.13 0.00 -0.00 0.00 0.00 57.72 58.82 2kuq n HIS 17 Cb 0.99 -2.19 0.44 0.00 -0.00 0.00 0.00 29.99 29.23 2kuq n HIS 17 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kuq h PRO 18 N 3.43 0.00 0.00 1.57 0.13 -1.99 -3.37 132.00 131.76 2kuq h PRO 18 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kuq h PRO 18 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2kuq h PRO 18 CO 0.69 0.00 -0.33 0.25 -0.23 0.00 0.00 178.00 178.39 2kuq n THR 19 N -2.36 0.00 -3.77 1.56 -2.24 -1.26 -5.05 114.28 101.16 2kuq n THR 19 Ca 0.04 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 2kuq n THR 19 Cb 0.35 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 2kuq n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuq s LYS 20 N -0.70 3.58 -0.05 -0.78 3.01 -1.26 -2.65 119.74 120.88 2kuq s LYS 20 Ca 0.00 0.02 -0.02 0.00 -1.01 0.00 0.00 55.97 54.96 2kuq s LYS 20 Cb 0.00 -3.19 0.04 0.00 -1.01 0.00 0.00 37.83 33.67 2kuq s LYS 20 CO 0.00 0.74 0.10 -0.06 0.51 0.00 0.00 175.35 176.65 2kuq s PHE 21 N -1.07 -0.08 0.15 3.18 0.08 0.04 -4.51 117.98 115.77 2kuq s PHE 21 Ca 0.19 0.38 -0.31 0.00 0.12 0.00 0.00 56.93 57.30 2kuq s PHE 21 Cb -0.13 -0.23 -0.09 0.00 -0.57 0.00 0.00 43.02 41.99 2kuq s PHE 21 CO 0.08 -0.17 1.51 0.15 -0.10 0.00 0.00 175.22 176.68 2kuq s LYS 22 N 1.56 4.25 0.02 0.44 3.01 -1.26 -0.64 119.74 127.13 2kuq s LYS 22 Ca -0.04 2.26 0.01 0.00 -1.01 0.00 0.00 55.97 57.19 2kuq s LYS 22 Cb -0.12 -3.19 -0.02 0.00 -1.01 0.00 0.00 37.83 33.50 2kuq s LYS 22 CO -0.05 -0.55 -0.04 0.14 0.51 0.00 0.00 175.35 175.37 2kuq s VAL 23 N 1.12 0.20 -0.21 3.17 -7.23 -0.19 -4.79 120.40 112.47 2kuq s VAL 23 Ca 0.68 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 2kuq s VAL 23 Cb -0.41 -0.30 0.04 0.00 0.56 0.00 0.00 36.38 36.27 2kuq s VAL 23 CO 0.31 -0.36 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.71 2kuq s THR 24 N -1.15 1.93 0.27 5.32 2.01 -0.78 -0.91 115.64 122.33 2kuq s THR 24 Ca -0.11 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 60.41 2kuq s THR 24 Cb -0.08 -1.93 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 2kuq s THR 24 CO -0.01 0.22 1.13 0.21 -0.69 0.00 0.00 174.62 175.49 2kuq s ASN 25 N 1.27 7.20 0.07 3.53 3.04 -0.20 -0.91 114.94 128.94 2kuq s ASN 25 Ca -0.02 2.29 0.02 0.00 0.04 0.00 0.00 52.86 55.20 2kuq s ASN 25 Cb -0.16 -2.63 -0.03 0.00 -1.54 0.00 0.00 41.25 36.89 2kuq s ASN 25 CO -0.09 -0.21 -0.08 0.68 -3.04 0.00 0.00 177.10 174.37 2kuq s VAL 26 N -0.97 0.65 0.47 -5.21 -7.23 -1.19 -1.71 120.40 105.22 2kuq s VAL 26 Ca 0.46 -1.45 -0.07 0.00 -1.81 0.00 0.00 61.98 59.12 2kuq s VAL 26 Cb -0.33 -1.08 0.11 0.00 0.56 0.00 0.00 36.38 35.64 2kuq s VAL 26 CO 0.41 -0.57 0.65 -0.90 -0.31 0.00 0.00 175.10 174.38 2kuq n ASP 27 N 0.83 0.16 0.11 4.85 5.75 -1.08 -4.79 116.55 122.38 2kuq n ASP 27 Ca -0.18 -1.30 0.09 0.00 -0.01 0.00 0.00 54.79 53.39 2kuq n ASP 27 Cb 0.57 -0.48 0.43 0.00 -1.03 0.00 0.00 41.12 40.61 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kuq n ASP 28 N -3.35 0.43 -0.58 -1.12 2.03 -1.26 -1.60 116.55 111.09 2kuq n ASP 28 Ca 0.08 0.66 0.07 0.00 0.52 0.00 0.00 54.79 56.13 2kuq n ASP 28 Cb 0.29 -0.73 0.08 0.00 -0.72 0.00 0.00 41.12 40.04 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kuq n GLU 29 N -2.04 1.24 -0.97 -0.67 1.02 -1.26 -5.00 120.64 112.96 2kuq n GLU 29 Ca 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.68 2kuq n GLU 29 Cb 0.09 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kuq n GLY 30 N 0.74 0.47 3.72 0.62 0.00 -0.63 -5.03 105.19 105.08 2kuq n GLY 30 Ca 0.09 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 2kuq n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kuq s VAL 31 N -2.00 3.93 -0.20 1.61 1.01 -1.26 -4.75 120.40 118.75 2kuq s VAL 31 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 2kuq s VAL 31 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2kuq s VAL 31 CO 0.00 0.15 1.82 -1.61 0.00 0.00 0.00 175.10 175.46 2kuq s GLU 32 N 0.64 3.64 -0.23 2.72 2.02 -1.26 -2.65 118.70 123.58 2kuq s GLU 32 Ca 0.56 1.85 -0.19 0.00 0.02 0.00 0.00 54.97 57.21 2kuq s GLU 32 Cb -0.30 -4.15 -0.16 0.00 0.10 0.00 0.00 34.13 29.62 2kuq s GLU 32 CO 0.31 -1.50 0.00 1.28 0.02 0.00 0.00 175.26 175.38 2kuq n LEU 33 N 9.26 1.89 -3.52 1.80 4.77 -0.70 -5.03 117.00 125.48 2kuq n LEU 33 Ca 0.22 0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 56.52 2kuq n LEU 33 Cb 0.45 -0.91 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 2kuq n LEU 33 CO 0.66 0.36 0.73 -0.83 -1.33 0.00 0.00 177.39 176.98 2kuq s GLY 34 N -5.07 -0.44 -0.03 -0.72 0.00 -1.24 -5.05 107.32 94.78 2kuq s GLY 34 Ca -0.32 1.10 0.05 0.00 0.00 0.00 0.00 44.72 45.55 2kuq s GLY 34 CO 0.55 0.37 -0.19 -0.56 0.00 0.00 0.00 173.10 173.26 2kuq s SER 35 N -2.43 2.33 0.29 1.64 0.01 -1.26 -1.03 113.70 113.24 2kuq s SER 35 Ca 0.05 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.01 2kuq s SER 35 Cb -0.01 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.73 2kuq s SER 35 CO -0.08 0.20 0.23 0.61 0.41 0.00 0.00 173.24 174.61 2kuq n GLY 36 N 2.87 3.10 3.17 3.44 0.00 -0.09 -4.68 105.19 113.00 2kuq n GLY 36 Ca -0.17 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 2kuq n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kuq s VAL 37 N -3.13 2.77 0.12 1.61 1.01 -0.51 -1.02 120.40 121.25 2kuq s VAL 37 Ca 0.33 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 2kuq s VAL 37 Cb 0.02 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 2kuq s VAL 37 CO 0.23 0.07 0.89 -0.32 0.00 0.00 0.00 175.10 175.98 2kuq s MET 38 N 1.26 4.66 -0.08 2.72 1.75 0.19 -1.06 119.30 128.74 2kuq s MET 38 Ca -0.03 1.34 0.00 0.00 -1.25 0.00 0.00 55.69 55.75 2kuq s MET 38 Cb -0.18 -3.35 0.02 0.00 2.84 0.00 0.00 34.83 34.17 2kuq s MET 38 CO -0.04 0.31 -0.06 -2.00 -0.65 0.00 0.00 175.02 172.59 2kuq s GLU 39 N -0.32 1.22 -0.38 4.11 2.12 0.27 -0.78 118.70 124.95 2kuq s GLU 39 Ca 0.43 -0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.48 2kuq s GLU 39 Cb -0.23 -1.28 0.03 0.00 0.26 0.00 0.00 34.13 32.92 2kuq s GLU 39 CO 0.28 -0.19 0.21 -0.51 -0.54 0.00 0.00 175.26 174.51 2kuq s LEU 40 N 1.43 4.75 0.60 2.70 1.02 -1.08 -0.33 118.68 127.77 2kuq s LEU 40 Ca -0.02 -1.04 0.02 0.00 0.02 0.00 0.00 54.13 53.12 2kuq s LEU 40 Cb -0.13 -2.02 0.07 0.00 0.02 0.00 0.00 46.19 44.13 2kuq s LEU 40 CO -0.04 -0.40 0.83 0.42 0.02 0.00 0.00 176.35 177.18 2kuq s THR 41 N 1.54 2.46 -1.80 5.49 -4.23 -1.00 -4.93 115.64 113.16 2kuq s THR 41 Ca 0.02 -0.72 0.25 0.00 -1.18 0.00 0.00 61.69 60.06 2kuq s THR 41 Cb -0.19 -2.74 0.63 0.00 1.34 0.00 0.00 72.50 71.53 2kuq s THR 41 CO 0.06 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.01 2kuq n GLN 42 N -2.44 0.64 -0.05 3.99 6.02 -1.26 -4.02 117.38 120.26 2kuq n GLN 42 Ca 0.11 0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 57.04 2kuq n GLN 42 Cb 0.60 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kuq n SER 43 N -1.10 2.72 -3.71 1.08 7.64 -1.26 -5.12 113.62 113.87 2kuq n SER 43 Ca 0.17 -0.02 -0.04 0.00 1.01 0.00 0.00 58.87 59.99 2kuq n SER 43 Cb 0.13 -0.20 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 2kuq n SER 43 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kuq s GLU 44 N -2.21 1.11 0.12 1.43 -1.05 -1.26 -4.57 118.70 112.28 2kuq s GLU 44 Ca -0.15 -0.59 -0.29 0.00 -0.15 0.00 0.00 54.97 53.79 2kuq s GLU 44 Cb 0.04 0.40 -0.06 0.00 -0.44 0.00 0.00 34.13 34.07 2kuq s GLU 44 CO 0.24 -0.51 0.93 -1.17 0.95 0.00 0.00 175.26 175.70 2kuq s LEU 45 N -2.87 4.51 0.10 1.83 0.20 -0.44 -2.38 118.68 119.63 2kuq s LEU 45 Ca 0.11 1.77 0.06 0.00 0.69 0.00 0.00 54.13 56.77 2kuq s LEU 45 Cb -0.01 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.17 2kuq s LEU 45 CO 0.00 -0.03 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.18 2kuq s VAL 46 N -0.17 1.38 -0.13 1.68 1.01 0.56 -1.00 120.40 123.73 2kuq s VAL 46 Ca 0.45 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2kuq s VAL 46 Cb -0.23 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.84 2kuq s VAL 46 CO 0.29 -0.23 0.20 -0.22 0.00 0.00 0.00 175.10 175.14 2kuq s LEU 47 N -2.01 -0.12 -0.10 3.92 0.20 0.15 -0.57 118.68 120.15 2kuq s LEU 47 Ca 0.04 0.17 -0.22 0.00 0.69 0.00 0.00 54.13 54.81 2kuq s LEU 47 Cb -0.09 0.37 -0.03 0.00 -0.43 0.00 0.00 46.19 46.01 2kuq s LEU 47 CO 0.03 -0.27 0.66 -1.00 -0.29 0.00 0.00 176.35 175.47 2kuq s HIS 48 N 2.32 3.52 0.12 5.38 3.76 -0.23 -0.83 115.29 129.34 2kuq s HIS 48 Ca 0.04 1.13 0.05 0.00 -0.15 0.00 0.00 55.06 56.13 2kuq s HIS 48 Cb -0.13 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 2kuq s HIS 48 CO -0.08 0.04 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.22 2kuq s LEU 49 N 1.04 2.45 -0.07 0.89 1.43 -1.26 -1.43 118.68 121.73 2kuq s LEU 49 Ca 0.34 -0.88 0.11 0.00 -1.03 0.00 0.00 54.13 52.67 2kuq s LEU 49 Cb -0.17 -0.40 -0.16 0.00 0.03 0.00 0.00 46.19 45.49 2kuq s LEU 49 CO 0.15 -0.24 0.13 1.41 0.23 0.00 0.00 176.35 178.03 2kuq n HIS 50 N 0.30 0.00 -0.07 0.29 8.25 -1.26 -4.61 115.22 118.11 2kuq n HIS 50 Ca -0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 2kuq n HIS 50 Cb 0.58 -0.44 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 2kuq n HIS 50 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2kuq h ARG 51 N 0.00 0.00 -6.58 -0.41 9.65 -1.98 -3.47 114.38 111.58 2kuq h ARG 51 Ca -0.18 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.23 2kuq h ARG 51 Cb 1.22 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.82 2kuq h ARG 51 CO 0.01 0.59 -0.15 0.50 2.80 0.00 0.00 179.97 183.72 2kuq s ARG 52 N -2.07 3.34 0.97 0.20 3.52 -1.26 -5.12 118.95 118.53 2kuq s ARG 52 Ca -0.15 -0.39 -0.11 0.00 -0.13 0.00 0.00 55.73 54.95 2kuq s ARG 52 Cb 0.00 -2.62 0.18 0.00 -1.56 0.00 0.00 34.95 30.95 2kuq s ARG 52 CO 0.42 -0.00 1.10 -1.83 -0.81 0.00 0.00 175.30 174.18 2kuq s GLU 53 N -4.40 0.58 0.55 5.12 -1.05 -1.26 -4.44 118.70 113.80 2kuq s GLU 53 Ca 0.43 1.19 -0.20 0.00 -0.15 0.00 0.00 54.97 56.23 2kuq s GLU 53 Cb -0.10 -1.70 -0.05 0.00 -0.44 0.00 0.00 34.13 31.84 2kuq s GLU 53 CO 0.37 -2.81 1.23 0.00 0.95 0.00 0.00 175.26 175.00 2kuq s ALA 54 N -2.66 2.72 -0.05 -0.84 0.00 -1.26 -4.58 121.76 115.08 2kuq s ALA 54 Ca 0.66 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.73 2kuq s ALA 54 Cb -0.22 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.44 2kuq s ALA 54 CO 0.60 -1.09 -0.14 0.08 0.00 0.00 0.00 175.76 175.20 2kuq s VAL 55 N -1.51 1.21 0.05 0.00 1.01 -0.01 -4.98 120.40 116.17 2kuq s VAL 55 Ca 0.73 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.23 2kuq s VAL 55 Cb -0.32 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2kuq s VAL 55 CO 0.37 0.36 -0.23 -0.13 0.00 0.00 0.00 175.10 175.47 2kuq s ARG 56 N 0.37 1.58 -0.08 2.72 0.52 -1.26 -0.68 118.95 122.12 2kuq s ARG 56 Ca -0.09 -1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 2kuq s ARG 56 Cb -0.13 -1.73 0.04 0.00 0.52 0.00 0.00 34.95 33.65 2kuq s ARG 56 CO 0.03 0.44 0.06 -1.58 0.02 0.00 0.00 175.30 174.28 2kuq s TRP 57 N -0.81 0.18 0.28 -0.53 0.51 -0.17 -3.99 118.94 114.42 2kuq s TRP 57 Ca 0.10 0.03 -0.29 0.00 -2.12 0.00 0.00 56.10 53.81 2kuq s TRP 57 Cb -0.09 -0.58 -0.10 0.00 -0.81 0.00 0.00 33.47 31.88 2kuq s TRP 57 CO 0.02 -0.31 1.31 -1.25 -0.51 0.00 0.00 176.95 176.21 2kuq s PRO 58 N 2.14 4.38 0.37 4.98 0.04 -1.26 -1.33 135.00 144.31 2kuq s PRO 58 Ca 0.04 2.16 0.07 0.00 0.04 0.00 0.00 61.00 63.30 2kuq s PRO 58 Cb -0.13 -3.12 0.73 0.00 0.04 0.00 0.00 34.50 32.03 2kuq s PRO 58 CO -0.05 -0.20 1.94 1.88 0.04 0.00 0.00 177.00 180.60 2kuq h TYR 59 N 4.12 0.43 0.00 0.56 0.05 -1.94 -1.24 116.97 118.95 2kuq h TYR 59 Ca -0.47 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.28 2kuq h TYR 59 Cb 1.22 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2kuq h TYR 59 CO 0.58 0.42 0.00 1.37 -1.05 0.00 0.00 178.16 179.48 2kuq h LEU 60 N 0.41 0.00 -2.29 3.88 -0.00 -1.93 -2.14 115.31 113.24 2kuq h LEU 60 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2kuq h LEU 60 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2kuq h LEU 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2kuq s LEU 62 N -1.41 4.28 0.33 0.00 1.43 -0.80 -1.11 118.68 121.39 2kuq s LEU 62 Ca 0.40 -0.46 0.16 0.00 -1.03 0.00 0.00 54.13 53.19 2kuq s LEU 62 Cb 0.23 -2.75 0.54 0.00 0.03 0.00 0.00 46.19 44.24 2kuq s LEU 62 CO 0.32 -1.15 1.68 0.03 0.23 0.00 0.00 176.35 177.45 2kuq h ARG 63 N 9.24 0.00 -2.37 1.70 3.08 -1.67 -3.44 114.38 120.92 2kuq h ARG 63 Ca -0.26 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.91 2kuq h ARG 63 Cb 1.08 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.01 2kuq h ARG 63 CO 1.06 0.47 0.46 -0.98 -1.07 0.00 0.00 179.97 179.91 2kuq s ARG 64 N -3.57 1.02 -0.05 0.04 1.70 -1.25 -4.75 118.95 112.08 2kuq s ARG 64 Ca -0.00 -0.46 -0.23 0.00 -0.47 0.00 0.00 55.73 54.56 2kuq s ARG 64 Cb 0.11 0.41 0.05 0.00 -0.57 0.00 0.00 34.95 34.95 2kuq s ARG 64 CO 0.72 -0.45 0.50 1.52 -1.08 0.00 0.00 175.30 176.51 2kuq s TYR 65 N -3.25 -0.44 0.22 5.89 -0.85 -1.05 -1.29 117.35 116.58 2kuq s TYR 65 Ca 0.08 0.77 -0.21 0.00 -0.52 0.00 0.00 57.07 57.19 2kuq s TYR 65 Cb -0.01 0.25 0.04 0.00 0.38 0.00 0.00 41.96 42.62 2kuq s TYR 65 CO -0.05 -0.49 0.65 0.20 -1.52 0.00 0.00 175.55 174.35 2kuq s GLY 66 N -1.13 -0.29 -0.06 5.49 0.00 0.05 -1.04 107.32 110.34 2kuq s GLY 66 Ca -0.11 0.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.52 2kuq s GLY 66 CO 0.07 -0.02 0.24 -2.52 0.00 0.00 0.00 173.10 170.87 2kuq s TYR 67 N -3.85 -0.19 0.08 1.90 1.13 -1.25 -1.20 117.35 113.96 2kuq s TYR 67 Ca 0.07 0.43 0.01 0.00 -1.41 0.00 0.00 57.07 56.16 2kuq s TYR 67 Cb -0.03 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 2kuq s TYR 67 CO -0.02 -0.21 0.05 -3.47 -2.51 0.00 0.00 175.55 169.38 2kuq n ASP 68 N 2.31 1.43 0.22 -0.18 -0.08 0.46 -4.03 116.55 116.68 2kuq n ASP 68 Ca -0.16 -1.28 0.15 0.00 -1.51 0.00 0.00 54.79 51.99 2kuq n ASP 68 Cb 0.57 0.01 0.68 0.00 2.34 0.00 0.00 41.12 44.72 2kuq n ASP 68 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2kuq h SER 69 N 0.11 0.00 0.00 1.67 0.87 -1.99 -3.29 113.55 110.92 2kuq h SER 69 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2kuq h SER 69 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2kuq h SER 69 CO 0.08 0.00 -0.11 -0.46 -0.53 0.00 0.00 176.83 175.82 2kuq n ASN 70 N -2.66 0.00 -3.84 6.23 6.94 -1.26 -4.87 115.26 115.80 2kuq n ASN 70 Ca 0.00 -1.21 -0.13 0.00 -0.02 0.00 0.00 54.58 53.22 2kuq n ASN 70 Cb 0.20 -0.04 -0.15 0.00 -2.36 0.00 0.00 39.78 37.43 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2kuq s LEU 71 N 0.00 1.70 -0.08 -4.53 2.96 -1.24 -1.20 118.68 116.29 2kuq s LEU 71 Ca 0.00 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 2kuq s LEU 71 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.65 2kuq s LEU 71 CO 0.00 -0.04 -0.20 0.12 -1.32 0.00 0.00 176.35 174.91 2kuq s PHE 72 N 0.35 2.14 0.02 5.38 5.36 -0.13 -0.40 117.98 130.69 2kuq s PHE 72 Ca -0.03 -0.79 -0.05 0.00 -0.96 0.00 0.00 56.93 55.10 2kuq s PHE 72 Cb -0.04 -1.45 -0.01 0.00 -0.34 0.00 0.00 43.02 41.18 2kuq s PHE 72 CO -0.01 -0.32 0.09 0.45 -1.46 0.00 0.00 175.22 173.97 2kuq s SER 73 N 0.31 0.12 0.05 6.13 0.15 -0.34 -1.11 113.70 119.00 2kuq s SER 73 Ca -0.14 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 2kuq s SER 73 Cb -0.16 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2kuq s SER 73 CO 0.06 -0.39 0.30 0.72 1.20 0.00 0.00 173.24 175.12 2kuq s PHE 74 N -1.73 -0.08 -0.23 3.44 -0.12 -0.87 -0.77 117.98 117.62 2kuq s PHE 74 Ca -0.12 -0.09 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 2kuq s PHE 74 Cb -0.06 0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 2kuq s PHE 74 CO -0.01 -0.52 0.01 -2.00 -0.05 0.00 0.00 175.22 172.66 2kuq s GLU 75 N -2.74 3.53 -0.14 1.99 -6.30 -0.41 -1.85 118.70 112.78 2kuq s GLU 75 Ca -0.04 -0.55 -0.03 0.00 -2.50 0.00 0.00 54.97 51.86 2kuq s GLU 75 Cb -0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 34.13 30.96 2kuq s GLU 75 CO -0.05 -0.15 -0.05 -1.54 0.02 0.00 0.00 175.26 173.50 2kuq s SER 76 N 1.44 4.73 1.01 -1.70 1.04 -0.59 -1.85 113.70 117.78 2kuq s SER 76 Ca 0.05 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 2kuq s SER 76 Cb -0.15 -1.68 0.20 0.00 0.10 0.00 0.00 66.02 64.49 2kuq s SER 76 CO 0.00 0.20 1.09 -0.83 0.98 0.00 0.00 173.24 174.69 2kuq s GLY 77 N 0.16 1.56 0.27 7.32 0.00 -0.27 -2.28 107.32 114.08 2kuq s GLY 77 Ca -0.02 -0.40 0.19 0.00 0.00 0.00 0.00 44.72 44.49 2kuq s GLY 77 CO 0.03 0.23 1.59 -0.96 0.00 0.00 0.00 173.10 173.99 2kuq n ARG 78 N -4.22 0.13 -3.27 2.90 1.85 -1.26 -3.78 116.66 109.01 2kuq n ARG 78 Ca 0.05 0.59 -0.42 0.00 -1.00 0.00 0.00 57.85 57.07 2kuq n ARG 78 Cb 0.57 -1.89 -0.01 0.00 -1.05 0.00 0.00 32.46 30.09 2kuq n ARG 78 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kuq n ARG 79 N -2.16 3.68 -3.82 2.89 5.12 -1.26 -4.43 116.66 116.69 2kuq n ARG 79 Ca -0.01 -4.51 -0.08 0.00 -1.93 0.00 0.00 57.85 51.32 2kuq n ARG 79 Cb 0.06 -2.50 0.02 0.00 -1.16 0.00 0.00 32.46 28.88 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kuq h GLN 81 N 2.00 0.56 0.00 0.00 4.15 -1.94 -2.76 115.11 117.13 2kuq h GLN 81 Ca -0.30 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2kuq h GLN 81 Cb 1.25 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2kuq h GLN 81 CO 0.38 0.38 -1.26 0.25 -1.93 0.00 0.00 178.83 176.64 2kuq n THR 82 N -4.47 0.08 -4.26 2.39 -2.24 -1.26 -5.07 114.28 99.44 2kuq n THR 82 Ca 0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2kuq n THR 82 Cb 0.06 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2kuq n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuq n GLY 83 N 1.38 -1.77 3.73 3.38 0.00 -1.04 -4.91 105.19 105.94 2kuq n GLY 83 Ca 0.01 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2kuq n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kuq s GLN 84 N 0.00 4.18 -0.09 1.61 0.74 -1.25 -4.70 119.66 120.15 2kuq s GLN 84 Ca 0.00 2.45 -0.32 0.00 0.05 0.00 0.00 55.36 57.54 2kuq s GLN 84 Cb 0.00 -3.11 0.14 0.00 1.10 0.00 0.00 33.01 31.14 2kuq s GLN 84 CO 0.00 -0.63 1.36 0.20 -0.55 0.00 0.00 175.29 175.67 2kuq s GLY 85 N 0.96 -0.43 -0.21 2.59 0.00 -0.97 -4.98 107.32 104.28 2kuq s GLY 85 Ca 0.69 0.98 -0.01 0.00 0.00 0.00 0.00 44.72 46.38 2kuq s GLY 85 CO 0.35 0.21 -0.12 -0.42 0.00 0.00 0.00 173.10 173.12 2kuq s ILE 86 N -2.21 2.59 -0.00 0.90 1.01 -1.26 -1.54 121.20 120.68 2kuq s ILE 86 Ca 0.14 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2kuq s ILE 86 Cb 0.05 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2kuq s ILE 86 CO -0.05 0.41 -0.11 -0.36 0.00 0.00 0.00 174.94 174.83 2kuq s PHE 87 N 1.34 2.79 -0.05 3.97 0.08 -0.77 -1.07 117.98 124.27 2kuq s PHE 87 Ca 0.03 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 56.94 2kuq s PHE 87 Cb -0.14 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2kuq s PHE 87 CO -0.08 0.31 0.12 0.00 -0.10 0.00 0.00 175.22 175.47 2kuq s ALA 88 N -0.92 -0.30 -0.02 5.36 0.00 -1.26 -2.05 121.76 122.56 2kuq s ALA 88 Ca 0.15 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2kuq s ALA 88 Cb -0.11 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2kuq s ALA 88 CO 0.05 -0.06 -0.00 -0.06 0.00 0.00 0.00 175.76 175.69 2kuq s PHE 89 N 0.08 0.30 0.05 0.00 0.40 -0.27 -3.15 117.98 115.40 2kuq s PHE 89 Ca -0.00 -0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 56.03 2kuq s PHE 89 Cb -0.01 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 2kuq s PHE 89 CO 0.00 -0.11 0.95 0.15 0.70 0.00 0.00 175.22 176.92 2kuq s LYS 90 N 0.81 4.62 -0.29 0.44 1.02 -0.09 -0.96 119.74 125.30 2kuq s LYS 90 Ca -0.08 1.40 -0.17 0.00 0.02 0.00 0.00 55.97 57.14 2kuq s LYS 90 Cb -0.11 -3.41 0.16 0.00 -0.52 0.00 0.00 37.83 33.94 2kuq s LYS 90 CO -0.01 0.10 1.05 0.00 -0.92 0.00 0.00 175.35 175.56 2kuq h SER 92 N 5.67 0.00 -0.64 0.00 0.02 -1.88 -2.95 113.55 113.77 2kuq h SER 92 Ca -0.28 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.52 2kuq h SER 92 Cb 1.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 2kuq h SER 92 CO 0.20 0.00 0.17 0.54 -1.14 0.00 0.00 176.83 176.60 2kuq n ARG 93 N -2.63 3.73 -0.26 3.45 1.74 -1.26 -4.66 116.66 116.77 2kuq n ARG 93 Ca 0.01 -3.09 0.18 0.00 -0.77 0.00 0.00 57.85 54.18 2kuq n ARG 93 Cb 0.24 -2.16 0.49 0.00 -1.02 0.00 0.00 32.46 30.00 2kuq n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h ALA 94 N 2.70 2.14 -0.17 7.54 0.00 -1.84 -0.28 119.26 129.36 2kuq h ALA 94 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2kuq h ALA 94 Cb 2.14 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 2kuq h ALA 94 CO 0.62 -0.43 -0.11 1.49 0.00 0.00 0.00 179.25 180.82 2kuq h GLU 95 N 0.45 -0.10 -0.34 0.00 4.57 -1.83 -1.49 114.58 115.84 2kuq h GLU 95 Ca 0.48 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.53 2kuq h GLU 95 Cb 1.13 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2kuq h GLU 95 CO -0.20 -0.07 -0.33 0.93 -1.18 0.00 0.00 179.01 178.16 2kuq h GLU 96 N -0.11 0.75 -0.06 1.92 4.39 -1.44 -1.37 114.58 118.67 2kuq h GLU 96 Ca 0.10 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 2kuq h GLU 96 Cb 0.25 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kuq h GLU 96 CO -0.23 0.97 0.03 0.82 -1.16 0.00 0.00 179.01 179.44 2kuq h ILE 97 N 0.63 1.11 -0.66 3.13 2.04 -1.34 -1.43 117.51 120.99 2kuq h ILE 97 Ca 0.07 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2kuq h ILE 97 Cb 0.87 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2kuq h ILE 97 CO 0.08 0.09 0.41 0.15 0.00 0.00 0.00 178.15 178.87 2kuq h PHE 98 N -0.03 0.85 -0.10 1.37 3.57 -1.12 -0.04 116.94 121.44 2kuq h PHE 98 Ca 0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kuq h PHE 98 Cb 0.12 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2kuq h PHE 98 CO -0.03 0.56 0.02 -0.91 -2.23 0.00 0.00 178.31 175.72 2kuq h ASN 99 N 0.89 0.16 -0.92 0.41 2.35 -1.21 -2.07 115.58 115.20 2kuq h ASN 99 Ca 0.24 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2kuq h ASN 99 Cb -0.05 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2kuq h ASN 99 CO -0.05 0.37 0.54 0.25 -1.65 0.00 0.00 177.43 176.89 2kuq h LEU 100 N -0.05 1.11 0.32 1.61 5.85 -1.12 -0.59 115.31 122.44 2kuq h LEU 100 Ca 0.03 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kuq h LEU 100 Cb 0.27 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2kuq h LEU 100 CO 0.00 0.86 -0.24 0.25 -0.34 0.00 0.00 178.44 178.97 2kuq h LEU 101 N 1.27 -0.61 -1.05 2.25 5.85 -0.93 -1.21 115.31 120.88 2kuq h LEU 101 Ca 0.33 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 59.01 2kuq h LEU 101 Cb -0.04 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kuq h LEU 101 CO -0.06 -0.36 -0.21 0.06 -0.34 0.00 0.00 178.44 177.53 2kuq h GLN 102 N -0.56 0.43 -0.62 1.25 3.07 -1.17 -1.90 115.11 115.62 2kuq h GLN 102 Ca -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 58.65 58.54 2kuq h GLN 102 Cb 0.48 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.98 2kuq h GLN 102 CO 0.00 0.62 0.28 -0.44 0.09 0.00 0.00 178.83 179.38 2kuq h ASP 103 N 0.39 0.83 0.36 0.06 3.32 -0.94 0.28 116.42 120.71 2kuq h ASP 103 Ca 0.06 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 2kuq h ASP 103 Cb 0.59 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2kuq h ASP 103 CO 0.04 0.75 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.76 2kuq h LEU 104 N 0.85 0.16 0.00 1.55 3.38 -1.05 -1.12 115.31 119.08 2kuq h LEU 104 Ca 0.21 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2kuq h LEU 104 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2kuq h LEU 104 CO -0.02 0.61 -0.76 0.24 0.09 0.00 0.00 178.44 178.60 2kuq h MET 105 N 0.12 0.00 0.08 1.13 2.86 -0.96 -3.35 114.93 114.81 2kuq h MET 105 Ca 0.01 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 2kuq h MET 105 Cb 0.89 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 2kuq h MET 105 CO 0.07 0.51 -1.99 0.00 1.06 0.00 0.00 176.91 176.55 2kuq n GLN 106 N -3.16 0.72 -2.76 1.72 10.64 0.05 -4.82 117.38 119.76 2kuq n GLN 106 Ca -0.01 0.25 -0.18 0.00 -1.83 0.00 0.00 57.00 55.23 2kuq n GLN 106 Cb 0.78 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 2kuq n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kuq s ASN 108 N -2.32 -0.51 -0.98 0.00 3.84 -1.26 -5.11 114.94 108.61 2kuq s ASN 108 Ca 0.15 -0.11 -0.24 0.00 0.21 0.00 0.00 52.86 52.87 2kuq s ASN 108 Cb -0.07 0.62 0.02 0.00 -0.55 0.00 0.00 41.25 41.26 2kuq s ASN 108 CO 0.19 -1.03 1.60 -0.44 -2.79 0.00 0.00 177.10 174.62 2kuq s SER 109 N -2.78 6.08 -0.02 -4.21 0.01 -1.26 -4.93 113.70 106.59 2kuq s SER 109 Ca 0.03 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2kuq s SER 109 Cb -0.02 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.66 2kuq s SER 109 CO -0.09 -1.89 0.00 -0.63 0.41 0.00 0.00 173.24 171.04 2kuq s ILE 110 N 6.53 0.09 -0.00 1.44 1.01 -1.26 -5.07 121.20 123.94 2kuq s ILE 110 Ca 0.53 0.06 0.24 0.00 0.00 0.00 0.00 60.65 61.48 2kuq s ILE 110 Cb -0.02 -0.16 0.40 0.00 0.01 0.00 0.00 42.46 42.69 2kuq s ILE 110 CO -0.06 0.09 1.16 -0.46 0.00 0.00 0.00 174.94 175.66 2kuq n ASN 111 N 3.72 0.95 -4.75 3.58 6.94 -1.26 -5.10 115.26 119.35 2kuq n ASN 111 Ca -0.22 -2.04 -0.38 0.00 -0.02 0.00 0.00 54.58 51.92 2kuq n ASN 111 Cb 0.54 -0.30 0.04 0.00 -2.36 0.00 0.00 39.78 37.70 2kuq n ASN 111 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2kuq s VAL 112 N -0.08 2.06 -0.01 3.53 -7.23 -1.26 -5.06 120.40 112.36 2kuq s VAL 112 Ca 0.32 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2kuq s VAL 112 Cb 0.36 -3.02 0.01 0.00 0.56 0.00 0.00 36.38 34.29 2kuq s VAL 112 CO -0.16 -0.00 0.00 -0.04 -0.31 0.00 0.00 175.10 174.59 2kuq s MET 113 N -2.95 0.07 0.01 4.82 -1.94 -1.26 -5.17 119.30 112.89 2kuq s MET 113 Ca 0.73 0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 54.68 2kuq s MET 113 Cb -0.40 -0.15 -0.01 0.00 2.01 0.00 0.00 34.83 36.28 2kuq s MET 113 CO 0.47 -0.04 0.09 -1.21 -0.01 0.00 0.00 175.02 174.33 2kuq s GLU 114 N 0.32 0.45 0.14 2.03 0.41 -1.26 -5.15 118.70 115.63 2kuq s GLU 114 Ca -0.03 -0.49 -0.30 0.00 -0.41 0.00 0.00 54.97 53.74 2kuq s GLU 114 Cb -0.04 0.18 -0.08 0.00 -1.78 0.00 0.00 34.13 32.41 2kuq s GLU 114 CO -0.01 -0.10 1.27 -1.21 -0.49 0.00 0.00 175.26 174.72 2kuq s GLU 115 N -1.50 4.41 0.56 1.61 2.02 -1.26 -5.03 118.70 119.50 2kuq s GLU 115 Ca -0.14 1.94 -0.18 0.00 0.02 0.00 0.00 54.97 56.61 2kuq s GLU 115 Cb -0.08 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 2kuq s GLU 115 CO 0.00 -0.25 1.06 -1.25 0.02 0.00 0.00 175.26 174.84 2kuq s PRO 116 N 0.42 3.46 -0.20 0.39 0.04 -1.26 -5.05 135.00 132.79 2kuq s PRO 116 Ca 0.58 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 2kuq s PRO 116 Cb -0.34 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2kuq s PRO 116 CO 0.34 -0.71 0.12 0.08 0.04 0.00 0.00 177.00 176.87 2kuq s VAL 117 N -2.23 5.30 -0.18 -0.36 1.01 -1.26 -5.08 120.40 117.60 2kuq s VAL 117 Ca 0.66 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 2kuq s VAL 117 Cb -0.17 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2kuq s VAL 117 CO 0.31 0.44 -0.15 -0.63 0.00 0.00 0.00 175.10 175.07 2kuq s ILE 118 N 0.39 2.59 0.15 2.22 -1.09 -1.26 -4.88 121.20 119.31 2kuq s ILE 118 Ca 0.07 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.76 2kuq s ILE 118 Cb -0.11 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 2kuq s ILE 118 CO -0.01 0.50 0.10 -0.63 -1.23 0.00 0.00 174.94 173.67 2kuq s ILE 119 N 1.12 4.37 0.53 2.92 1.09 -1.26 -5.11 121.20 124.86 2kuq s ILE 119 Ca 0.00 -1.07 -0.21 0.00 -1.10 0.00 0.00 60.65 58.28 2kuq s ILE 119 Cb -0.14 -3.20 -0.08 0.00 -1.06 0.00 0.00 42.46 37.98 2kuq s ILE 119 CO -0.05 -0.06 0.91 1.07 -0.10 0.00 0.00 174.94 176.70 2kuq n THR 120 N -0.15 2.96 0.10 2.92 5.66 -1.26 -4.93 114.28 119.58 2kuq n THR 120 Ca -0.09 -0.50 -0.14 0.00 -3.05 0.00 0.00 64.05 60.27 2kuq n THR 120 Cb 0.54 -1.08 -0.07 0.00 -1.55 0.00 0.00 70.33 68.18 2kuq n THR 120 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kuq h SER 121 N 0.86 -1.21 0.00 1.09 0.87 -2.04 -3.46 113.55 109.66 2kuq h SER 121 Ca -0.46 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2kuq h SER 121 Cb 1.36 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2kuq h SER 121 CO 0.52 -0.47 0.00 0.61 -0.53 0.00 0.00 176.83 176.96 2kuq n GLY 122 N -1.46 0.43 3.56 5.77 0.00 -1.26 -4.95 105.19 107.28 2kuq n GLY 122 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 123 N -2.41 5.82 0.35 1.61 0.01 -1.26 -4.82 113.70 113.00 2kuq s SER 123 Ca 0.00 -0.65 0.19 0.00 1.31 0.00 0.00 55.95 56.79 2kuq s SER 123 Cb 0.00 -2.56 0.51 0.00 0.21 0.00 0.00 66.02 64.18 2kuq s SER 123 CO 0.00 -2.08 1.65 -1.28 0.41 0.00 0.00 173.24 171.94 2kuq h SER 124 N 11.29 0.00 -1.93 2.44 0.87 -2.03 -3.50 113.55 120.69 2kuq h SER 124 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2kuq h SER 124 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2kuq h SER 124 CO 1.29 0.39 0.00 0.61 -0.53 0.00 0.00 176.83 178.59 2kuq n GLY 125 N 0.58 -1.43 2.47 5.77 0.00 -1.26 -4.97 105.19 106.35 2kuq n GLY 125 Ca 0.01 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 2kuq n GLY 125 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kuq n SER 126 N -0.33 -4.90 -0.21 1.61 7.64 -1.26 -4.91 113.62 111.27 2kuq n SER 126 Ca 0.00 0.36 -0.08 0.00 1.01 0.00 0.00 58.87 60.16 2kuq n SER 126 Cb 0.00 -3.67 0.02 0.00 -1.01 0.00 0.00 64.21 59.55 2kuq n SER 126 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2kuq h SER 127 N 0.00 0.89 -2.94 6.43 0.87 -1.99 -3.47 113.55 113.34 2kuq h SER 127 Ca -0.30 -0.24 -0.38 0.00 -1.23 0.00 0.00 61.79 59.65 2kuq h SER 127 Cb 1.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2kuq h SER 127 CO 0.44 0.90 -0.50 0.61 -0.53 0.00 0.00 176.83 177.75 2kuq n GLY 128 N -0.61 -0.41 3.64 5.77 0.00 -1.26 -4.89 105.19 107.43 2kuq n GLY 128 Ca 0.03 -0.07 -0.48 0.00 0.00 0.00 0.00 46.02 45.50 2kuq n GLY 128 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kuq n SER 129 N -1.70 2.62 -3.65 1.61 7.64 -1.26 -4.98 113.62 113.90 2kuq n SER 129 Ca -0.20 1.09 -0.05 0.00 1.01 0.00 0.00 58.87 60.72 2kuq n SER 129 Cb 0.66 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.50 2kuq n SER 129 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kuq s SER 130 N 0.78 -0.16 0.00 6.43 1.04 -1.26 -5.00 113.70 115.52 2kuq s SER 130 Ca 0.81 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2kuq s SER 130 Cb -0.77 0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2kuq s SER 130 CO 0.41 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2kuq n GLY 131 N -0.50 0.42 2.92 7.32 0.00 -1.26 -5.06 105.19 109.03 2kuq n GLY 131 Ca -0.05 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 2kuq n GLY 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 132 N -2.96 0.56 0.53 1.61 0.01 -1.26 -5.16 113.70 107.04 2kuq s SER 132 Ca 0.00 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 2kuq s SER 132 Cb 0.00 -0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.03 2kuq s SER 132 CO 0.00 0.02 1.02 -0.94 0.41 0.00 0.00 173.24 173.75 2kuq s SER 133 N 0.19 6.27 0.00 2.44 1.04 -1.26 -4.95 113.70 117.44 2kuq s SER 133 Ca -0.02 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2kuq s SER 133 Cb -0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2kuq s SER 133 CO -0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2kuq n GLY 134 N -1.04 -2.44 3.67 7.32 0.00 -1.26 -5.02 105.19 106.41 2kuq n GLY 134 Ca 0.08 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 2kuq n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kuq s LEU 135 N 0.00 2.18 -0.07 0.99 2.01 -1.26 -4.96 118.68 117.57 2kuq s LEU 135 Ca 0.00 1.68 -0.30 0.00 0.01 0.00 0.00 54.13 55.53 2kuq s LEU 135 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 46.19 42.14 2kuq s LEU 135 CO 0.00 -3.01 1.46 0.12 1.01 0.00 0.00 176.35 175.94 2kuq s PHE 136 N -2.77 2.50 -0.34 0.29 2.19 -1.26 -4.99 117.98 113.60 2kuq s PHE 136 Ca 0.65 0.62 -0.22 0.00 0.33 0.00 0.00 56.93 58.32 2kuq s PHE 136 Cb -0.20 -3.72 0.00 0.00 -1.31 0.00 0.00 43.02 37.79 2kuq s PHE 136 CO 0.59 -2.79 0.70 1.03 1.83 0.00 0.00 175.22 176.58 2kuq s ARG 137 N 3.38 3.80 0.49 10.12 0.52 -1.26 -4.46 118.95 131.55 2kuq s ARG 137 Ca 0.65 0.28 -0.19 0.00 -0.52 0.00 0.00 55.73 55.95 2kuq s ARG 137 Cb -0.29 -3.78 -0.08 0.00 0.52 0.00 0.00 34.95 31.32 2kuq s ARG 137 CO 0.24 -0.72 1.00 -0.51 0.02 0.00 0.00 175.30 175.33 2kuq s LEU 138 N 2.84 3.77 0.33 2.53 1.43 -0.23 -4.93 118.68 124.41 2kuq s LEU 138 Ca 0.28 1.75 0.14 0.00 -1.03 0.00 0.00 54.13 55.26 2kuq s LEU 138 Cb -0.14 -4.54 0.57 0.00 0.03 0.00 0.00 46.19 42.11 2kuq s LEU 138 CO 0.14 -0.66 1.71 0.03 0.23 0.00 0.00 176.35 177.80 2kuq h ARG 139 N 1.34 0.00 -4.18 1.70 2.47 -1.97 -3.40 114.38 110.34 2kuq h ARG 139 Ca -0.48 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 57.99 2kuq h ARG 139 Cb 1.20 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.42 2kuq h ARG 139 CO 0.60 0.48 -0.27 -3.38 0.56 0.00 0.00 179.97 177.96 2kuq s HIS 140 N -3.75 1.02 -0.25 3.04 -3.43 -1.26 -5.11 115.29 105.56 2kuq s HIS 140 Ca -0.01 -1.24 -0.20 0.00 -0.80 0.00 0.00 55.06 52.80 2kuq s HIS 140 Cb 0.13 -0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 31.09 2kuq s HIS 140 CO 0.73 -1.02 0.63 0.12 -2.00 0.00 0.00 174.74 173.20 2kuq s PHE 141 N -3.41 3.30 -0.11 0.38 5.36 -1.26 -4.99 117.98 117.25 2kuq s PHE 141 Ca 0.31 0.83 0.15 0.00 -0.96 0.00 0.00 56.93 57.27 2kuq s PHE 141 Cb 0.01 -2.83 -0.07 0.00 -0.34 0.00 0.00 43.02 39.78 2kuq s PHE 141 CO 0.18 -0.30 1.09 -1.00 -1.46 0.00 0.00 175.22 173.72 2kuq h PRO 142 N 7.83 0.00 -6.02 10.12 0.13 -1.98 -3.46 132.00 138.63 2kuq h PRO 142 Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 2kuq h PRO 142 Cb 1.13 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 2kuq h PRO 142 CO 0.77 0.44 -0.05 0.00 -0.23 0.00 0.00 178.00 178.93 2kuq h GLY 144 N 5.73 0.32 -4.94 0.00 0.00 -1.90 -3.38 103.07 98.89 2kuq h GLY 144 Ca -0.45 -0.57 -0.62 0.00 0.00 0.00 0.00 47.33 45.69 2kuq h GLY 144 CO 0.70 0.50 3.21 0.70 0.00 0.00 0.00 176.54 181.65 2kuq n ASN 145 N -3.69 8.30 -4.75 0.19 3.02 -1.26 -4.36 115.26 112.71 2kuq n ASN 145 Ca -0.05 -2.62 -0.41 0.00 -0.03 0.00 0.00 54.58 51.46 2kuq n ASN 145 Cb 0.83 -1.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.46 2kuq n ASN 145 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kuq s VAL 146 N 1.66 2.29 0.02 2.41 1.01 -1.26 -3.89 120.40 122.64 2kuq s VAL 146 Ca 0.68 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2kuq s VAL 146 Cb 0.20 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2kuq s VAL 146 CO -0.06 0.04 -0.03 0.21 0.00 0.00 0.00 175.10 175.26 2kuq s ASN 147 N 0.38 0.28 -0.18 3.32 2.47 -0.21 -4.98 114.94 116.01 2kuq s ASN 147 Ca 0.61 -0.48 0.01 0.00 0.42 0.00 0.00 52.86 53.42 2kuq s ASN 147 Cb -0.45 0.09 0.03 0.00 -1.45 0.00 0.00 41.25 39.46 2kuq s ASN 147 CO 0.48 -0.28 -0.16 -0.31 -3.72 0.00 0.00 177.10 173.11 2kuq s TYR 148 N -1.39 2.60 0.00 0.43 2.02 -1.26 -2.53 117.35 117.22 2kuq s TYR 148 Ca -0.15 -1.58 0.00 0.00 -0.37 0.00 0.00 57.07 54.97 2kuq s TYR 148 Cb -0.10 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2kuq s TYR 148 CO -0.01 -0.77 0.00 0.41 -1.57 0.00 0.00 175.55 173.62 2kuq n GLY 149 N 4.66 0.57 3.75 0.71 0.00 -1.26 -4.97 105.19 108.63 2kuq n GLY 149 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2kuq n GLY 149 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kuq n TYR 150 N 0.00 2.37 -3.84 1.61 4.02 -1.26 -5.00 117.16 115.07 2kuq n TYR 150 Ca 0.00 0.43 -0.10 0.00 -0.01 0.00 0.00 57.90 58.23 2kuq n TYR 150 Cb 0.00 -2.38 -0.05 0.00 -0.02 0.00 0.00 39.34 36.88 2kuq n TYR 150 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2kuq s GLN 151 N -2.78 1.26 0.02 -0.72 1.03 -1.26 -5.03 119.66 112.19 2kuq s GLN 151 Ca 0.69 -1.00 -0.27 0.00 0.04 0.00 0.00 55.36 54.82 2kuq s GLN 151 Cb -0.43 0.45 0.09 0.00 0.03 0.00 0.00 33.01 33.15 2kuq s GLN 151 CO 0.51 -0.50 0.74 1.14 -2.54 0.00 0.00 175.29 174.64 2kuq s GLN 152 N -3.91 1.02 0.00 9.60 -2.07 -1.26 -5.25 119.66 117.79 2kuq s GLN 152 Ca 0.12 -0.15 0.00 0.00 -1.82 0.00 0.00 55.36 53.51 2kuq s GLN 152 Cb 0.01 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 2kuq s GLN 152 CO -0.02 -0.40 0.51 0.00 -1.32 0.00 0.00 175.29 174.05