#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuq s SER 2 N 0.00 -0.10 0.07 1.61 1.04 -1.26 -5.14 113.70 109.92 2kuq s SER 2 Ca 0.00 -0.65 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 2kuq s SER 2 Cb 0.00 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.77 2kuq s SER 2 CO 0.00 -1.15 0.52 -0.55 0.98 0.00 0.00 173.24 173.04 2kuq s SER 3 N -3.09 -0.43 -0.11 7.02 0.15 -1.26 -5.15 113.70 110.82 2kuq s SER 3 Ca 0.15 0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.60 2kuq s SER 3 Cb -0.03 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.77 2kuq s SER 3 CO 0.06 -0.78 1.02 -0.83 1.20 0.00 0.00 173.24 173.91 2kuq s GLY 4 N -2.20 2.29 -0.09 9.45 0.00 -1.26 -5.02 107.32 110.50 2kuq s GLY 4 Ca -0.03 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.77 2kuq s GLY 4 CO -0.05 1.96 0.93 -0.45 0.00 0.00 0.00 173.10 175.50 2kuq s SER 5 N 1.13 -0.38 0.13 1.64 0.15 -1.26 -5.20 113.70 109.91 2kuq s SER 5 Ca 0.49 0.24 -0.25 0.00 0.70 0.00 0.00 55.95 57.12 2kuq s SER 5 Cb -0.18 0.35 0.08 0.00 -1.71 0.00 0.00 66.02 64.55 2kuq s SER 5 CO 0.17 -0.48 1.04 -0.55 1.20 0.00 0.00 173.24 174.62 2kuq s SER 6 N -1.74 -0.11 0.00 5.45 0.15 -1.26 -5.18 113.70 111.01 2kuq s SER 6 Ca 0.01 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2kuq s SER 6 Cb -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2kuq s SER 6 CO -0.03 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2kuq n GLY 7 N -0.54 2.46 3.56 9.45 0.00 -1.26 -4.91 105.19 113.95 2kuq n GLY 7 Ca -0.06 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 2kuq n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kuq s LEU 8 N 0.00 -0.44 -0.21 0.99 2.34 -1.26 -4.58 118.68 115.53 2kuq s LEU 8 Ca 0.00 0.46 -0.27 0.00 0.06 0.00 0.00 54.13 54.37 2kuq s LEU 8 Cb 0.00 2.03 0.11 0.00 -0.56 0.00 0.00 46.19 47.77 2kuq s LEU 8 CO 0.00 -0.42 0.91 0.21 -1.06 0.00 0.00 176.35 176.00 2kuq s ASN 9 N -1.19 -0.51 -0.24 1.48 2.47 -1.26 -4.95 114.94 110.74 2kuq s ASN 9 Ca -0.04 0.80 -0.14 0.00 0.42 0.00 0.00 52.86 53.91 2kuq s ASN 9 Cb -0.00 0.75 -0.04 0.00 -1.45 0.00 0.00 41.25 40.50 2kuq s ASN 9 CO 0.03 -0.30 0.30 -0.13 -3.72 0.00 0.00 177.10 173.28 2kuq s ARG 10 N -0.37 4.08 0.28 0.43 3.00 -1.26 -4.69 118.95 120.41 2kuq s ARG 10 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 55.73 55.50 2kuq s ARG 10 Cb -0.03 -3.58 0.06 0.00 0.00 0.00 0.00 34.95 31.40 2kuq s ARG 10 CO -0.00 -0.08 0.89 0.34 0.00 0.00 0.00 175.30 176.45 2kuq s ASP 11 N 1.26 -0.04 1.07 0.23 2.15 -1.26 -5.06 116.67 115.02 2kuq s ASP 11 Ca 0.13 -0.84 -0.07 0.00 0.43 0.00 0.00 52.55 52.21 2kuq s ASP 11 Cb -0.15 0.67 0.10 0.00 -0.30 0.00 0.00 42.92 43.24 2kuq s ASP 11 CO 0.08 -1.32 0.36 -0.24 -0.17 0.00 0.00 175.17 173.88 2kuq n SER 12 N -1.14 -1.25 -4.55 -0.34 2.88 -1.26 -5.04 113.62 102.93 2kuq n SER 12 Ca -0.06 -0.75 -0.41 0.00 -1.33 0.00 0.00 58.87 56.33 2kuq n SER 12 Cb 0.60 -0.33 -0.09 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.67 5.17 0.49 2.46 1.01 -1.25 -4.71 120.40 121.91 2kuq s VAL 13 Ca 0.23 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2kuq s VAL 13 Cb -0.02 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2kuq s VAL 13 CO 0.18 -0.09 1.06 -2.16 0.00 0.00 0.00 175.10 174.09 2kuq s PRO 14 N 2.02 3.72 0.00 2.72 0.04 -1.13 -1.96 135.00 140.41 2kuq s PRO 14 Ca 0.12 1.42 0.15 0.00 0.04 0.00 0.00 61.00 62.73 2kuq s PRO 14 Cb -0.17 -2.10 0.80 0.00 0.04 0.00 0.00 34.50 33.08 2kuq s PRO 14 CO 0.12 -0.51 1.41 -3.47 0.04 0.00 0.00 177.00 174.59 2kuq n ASP 15 N -0.99 0.00 -0.02 6.66 2.03 -1.26 -2.92 116.55 120.04 2kuq n ASP 15 Ca 0.10 -0.05 0.01 0.00 0.52 0.00 0.00 54.79 55.37 2kuq n ASP 15 Cb 0.52 -0.23 0.02 0.00 -0.72 0.00 0.00 41.12 40.71 2kuq n ASP 15 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kuq n ASN 16 N -1.23 1.77 -4.54 1.67 3.02 -1.26 -5.05 115.26 109.65 2kuq n ASN 16 Ca 0.08 -2.04 -0.52 0.00 -0.03 0.00 0.00 54.58 52.07 2kuq n ASN 16 Cb 0.11 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2kuq n HIS 17 N -0.56 0.96 0.37 3.10 -0.00 -1.15 -4.91 115.22 113.02 2kuq n HIS 17 Ca 0.02 0.80 0.13 0.00 0.46 0.00 0.00 57.72 59.13 2kuq n HIS 17 Cb 0.34 -2.20 0.35 0.00 -0.12 0.00 0.00 29.99 28.36 2kuq n HIS 17 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kuq h PRO 18 N 3.19 0.00 0.00 1.57 0.13 -1.96 -3.38 132.00 131.55 2kuq h PRO 18 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kuq h PRO 18 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2kuq h PRO 18 CO 0.68 0.00 -0.49 0.25 -0.23 0.00 0.00 178.00 178.22 2kuq n THR 19 N -2.75 0.00 -3.53 1.56 -2.24 -1.26 -5.06 114.28 100.99 2kuq n THR 19 Ca 0.04 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 2kuq n THR 19 Cb 0.44 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.16 3.77 -0.06 -0.78 1.02 -1.26 -3.61 119.74 117.66 2kuq s LYS 20 Ca 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.15 2kuq s LYS 20 Cb 0.00 -2.87 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2kuq s LYS 20 CO 0.00 0.47 0.12 -0.06 -0.92 0.00 0.00 175.35 174.96 2kuq s PHE 21 N -1.56 -0.11 0.15 3.18 0.08 -0.40 -4.58 117.98 114.74 2kuq s PHE 21 Ca 0.39 0.42 -0.31 0.00 0.12 0.00 0.00 56.93 57.54 2kuq s PHE 21 Cb -0.13 -0.18 -0.10 0.00 -0.57 0.00 0.00 43.02 42.04 2kuq s PHE 21 CO 0.20 -0.17 1.66 0.15 -0.10 0.00 0.00 175.22 176.96 2kuq s LYS 22 N 1.43 4.18 0.02 0.44 -0.14 -1.26 -0.72 119.74 123.68 2kuq s LYS 22 Ca -0.06 2.45 0.00 0.00 -1.36 0.00 0.00 55.97 57.01 2kuq s LYS 22 Cb -0.12 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.72 2kuq s LYS 22 CO -0.05 -0.70 -0.04 0.14 -0.76 0.00 0.00 175.35 173.94 2kuq s VAL 23 N 1.68 0.18 -0.15 3.17 -7.23 -0.28 -4.78 120.40 112.98 2kuq s VAL 23 Ca 0.74 -0.93 -0.00 0.00 -1.81 0.00 0.00 61.98 59.97 2kuq s VAL 23 Cb -0.45 -0.31 0.03 0.00 0.56 0.00 0.00 36.38 36.21 2kuq s VAL 23 CO 0.32 -0.48 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.67 2kuq s THR 24 N -1.44 1.17 0.24 5.32 2.01 -1.16 -1.13 115.64 120.65 2kuq s THR 24 Ca -0.15 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 2kuq s THR 24 Cb -0.10 -1.26 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 2kuq s THR 24 CO -0.01 0.25 1.27 0.21 -0.69 0.00 0.00 174.62 175.65 2kuq s ASN 25 N 1.62 6.94 0.09 3.53 3.84 -0.27 -0.85 114.94 129.84 2kuq s ASN 25 Ca 0.03 2.44 0.06 0.00 0.21 0.00 0.00 52.86 55.59 2kuq s ASN 25 Cb -0.14 -2.62 -0.03 0.00 -0.55 0.00 0.00 41.25 37.90 2kuq s ASN 25 CO -0.08 -0.45 -0.15 0.68 -2.79 0.00 0.00 177.10 174.30 2kuq s VAL 26 N -0.43 1.25 0.07 -5.21 -7.23 -0.50 -1.90 120.40 106.44 2kuq s VAL 26 Ca 0.52 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 2kuq s VAL 26 Cb -0.36 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.33 2kuq s VAL 26 CO 0.42 -0.26 0.10 -0.90 -0.31 0.00 0.00 175.10 174.15 2kuq n ASP 27 N 1.04 0.04 0.23 4.85 5.75 -1.18 -4.54 116.55 122.74 2kuq n ASP 27 Ca -0.19 -1.06 0.16 0.00 -0.01 0.00 0.00 54.79 53.69 2kuq n ASP 27 Cb 0.55 -0.07 0.67 0.00 -1.03 0.00 0.00 41.12 41.24 2kuq n ASP 27 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2kuq h ASP 28 N -0.11 0.00 0.27 -1.12 2.03 -1.95 -2.20 116.42 113.34 2kuq h ASP 28 Ca -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2kuq h ASP 28 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 2kuq h ASP 28 CO 0.03 0.00 -1.26 1.21 -1.03 0.00 0.00 179.24 178.18 2kuq n GLU 29 N -2.75 0.34 -0.44 4.15 2.13 -1.26 -5.00 120.64 117.81 2kuq n GLU 29 Ca 0.01 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2kuq n GLU 29 Cb 0.24 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kuq n GLY 30 N 1.36 0.73 3.72 8.31 0.00 -0.83 -5.07 105.19 113.41 2kuq n GLY 30 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 3.30 -0.33 1.61 1.01 -1.26 -4.78 120.40 117.95 2kuq s VAL 31 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 2kuq s VAL 31 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2kuq s VAL 31 CO 0.00 0.07 1.63 -1.61 0.00 0.00 0.00 175.10 175.20 2kuq s GLU 32 N 1.08 3.51 -0.22 2.72 2.02 -1.26 -3.10 118.70 123.45 2kuq s GLU 32 Ca 0.64 1.32 -0.18 0.00 0.02 0.00 0.00 54.97 56.78 2kuq s GLU 32 Cb -0.37 -4.11 -0.14 0.00 0.10 0.00 0.00 34.13 29.62 2kuq s GLU 32 CO 0.30 -1.64 -0.03 1.28 0.02 0.00 0.00 175.26 175.20 2kuq n LEU 33 N 9.41 1.88 -3.52 1.80 4.77 -0.80 -5.05 117.00 125.50 2kuq n LEU 33 Ca 0.20 0.43 -0.08 0.00 -0.03 0.00 0.00 56.01 56.52 2kuq n LEU 33 Cb 0.47 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 2kuq n LEU 33 CO 0.68 0.21 0.69 -0.83 -1.33 0.00 0.00 177.39 176.82 2kuq s GLY 34 N -4.94 -0.45 0.13 -0.72 0.00 -1.25 -4.94 107.32 95.15 2kuq s GLY 34 Ca -0.29 0.97 0.07 0.00 0.00 0.00 0.00 44.72 45.47 2kuq s GLY 34 CO 0.50 0.32 -0.17 -0.56 0.00 0.00 0.00 173.10 173.19 2kuq s SER 35 N -2.51 2.33 0.23 1.64 0.01 -1.26 -1.12 113.70 113.03 2kuq s SER 35 Ca 0.05 -0.79 -0.10 0.00 1.31 0.00 0.00 55.95 56.42 2kuq s SER 35 Cb -0.01 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.15 2kuq s SER 35 CO -0.08 -0.06 0.52 0.61 0.41 0.00 0.00 173.24 174.64 2kuq n GLY 36 N 0.60 1.29 3.19 3.44 0.00 -0.29 -4.39 105.19 109.03 2kuq n GLY 36 Ca -0.16 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.41 3.08 0.33 1.61 1.01 0.43 -1.12 120.40 123.33 2kuq s VAL 37 Ca 0.11 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.49 2kuq s VAL 37 Cb -0.03 -2.75 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 2kuq s VAL 37 CO 0.07 -0.09 1.18 -0.32 0.00 0.00 0.00 175.10 175.94 2kuq s MET 38 N 1.28 4.40 -0.00 2.72 1.75 0.10 -1.12 119.30 128.42 2kuq s MET 38 Ca -0.04 1.93 0.01 0.00 -1.25 0.00 0.00 55.69 56.34 2kuq s MET 38 Cb -0.19 -3.01 -0.00 0.00 2.84 0.00 0.00 34.83 34.46 2kuq s MET 38 CO -0.01 -0.05 -0.02 -2.00 -0.65 0.00 0.00 175.02 172.30 2kuq s GLU 39 N -1.78 0.15 -0.14 4.11 2.56 0.26 -1.28 118.70 122.58 2kuq s GLU 39 Ca 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 54.97 55.37 2kuq s GLU 39 Cb -0.34 -0.14 0.04 0.00 2.00 0.00 0.00 34.13 35.69 2kuq s GLU 39 CO 0.44 0.04 -0.04 -0.51 -0.56 0.00 0.00 175.26 174.63 2kuq s LEU 40 N -0.08 1.28 0.22 2.70 1.02 -1.24 -0.27 118.68 122.32 2kuq s LEU 40 Ca 0.00 -0.50 0.11 0.00 0.02 0.00 0.00 54.13 53.77 2kuq s LEU 40 Cb -0.01 -0.77 -0.05 0.00 0.02 0.00 0.00 46.19 45.38 2kuq s LEU 40 CO -0.00 -0.19 -0.22 0.42 0.02 0.00 0.00 176.35 176.39 2kuq s THR 41 N 1.74 2.45 -1.86 5.49 -4.23 -0.85 -4.95 115.64 113.43 2kuq s THR 41 Ca 0.02 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.44 2kuq s THR 41 Cb -0.14 -2.22 0.15 0.00 1.34 0.00 0.00 72.50 71.63 2kuq s THR 41 CO -0.07 -0.22 0.86 0.00 -0.54 0.00 0.00 174.62 174.65 2kuq n GLN 42 N -0.08 0.16 -0.07 3.99 10.64 -1.26 -1.81 117.38 128.95 2kuq n GLN 42 Ca -0.10 0.06 -0.16 0.00 -1.83 0.00 0.00 57.00 54.97 2kuq n GLN 42 Cb 0.57 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.32 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2kuq n SER 43 N -1.07 1.52 -3.61 2.61 7.64 -1.26 -4.85 113.62 114.60 2kuq n SER 43 Ca 0.04 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2kuq n SER 43 Cb 0.03 -0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 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 -2.54 0.34 0.14 1.43 -1.05 -0.75 -4.43 118.70 111.84 2kuq s GLU 44 Ca -0.23 -0.17 -0.27 0.00 -0.15 0.00 0.00 54.97 54.15 2kuq s GLU 44 Cb 0.08 0.13 -0.07 0.00 -0.44 0.00 0.00 34.13 33.82 2kuq s GLU 44 CO 0.72 -0.15 0.85 -1.17 0.95 0.00 0.00 175.26 176.46 2kuq s LEU 45 N -2.75 4.54 0.06 1.83 0.20 -0.48 -2.01 118.68 120.08 2kuq s LEU 45 Ca 0.13 1.69 0.03 0.00 0.69 0.00 0.00 54.13 56.67 2kuq s LEU 45 Cb 0.03 -3.41 -0.03 0.00 -0.43 0.00 0.00 46.19 42.35 2kuq s LEU 45 CO -0.04 0.08 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.32 2kuq s VAL 46 N -0.59 0.67 -0.12 1.68 1.01 0.62 -0.93 120.40 122.75 2kuq s VAL 46 Ca 0.40 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2kuq s VAL 46 Cb -0.23 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.29 2kuq s VAL 46 CO 0.27 -0.46 0.25 -0.22 0.00 0.00 0.00 175.10 174.94 2kuq s LEU 47 N -1.93 -0.07 -0.20 3.92 0.20 0.12 -0.57 118.68 120.15 2kuq s LEU 47 Ca -0.04 0.54 -0.08 0.00 0.69 0.00 0.00 54.13 55.25 2kuq s LEU 47 Cb -0.07 0.66 -0.04 0.00 -0.43 0.00 0.00 46.19 46.31 2kuq s LEU 47 CO -0.00 -0.22 0.08 -1.00 -0.29 0.00 0.00 176.35 174.92 2kuq s HIS 48 N 2.08 3.22 0.22 5.38 3.76 -0.28 -0.52 115.29 129.15 2kuq s HIS 48 Ca -0.02 0.00 0.06 0.00 -0.15 0.00 0.00 55.06 54.96 2kuq s HIS 48 Cb -0.12 -2.14 -0.05 0.00 1.11 0.00 0.00 32.58 31.38 2kuq s HIS 48 CO -0.08 0.04 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.26 2kuq s LEU 49 N 0.72 2.45 -0.11 0.89 1.02 -1.26 -0.43 118.68 121.96 2kuq s LEU 49 Ca 0.04 -1.12 -0.15 0.00 0.02 0.00 0.00 54.13 52.93 2kuq s LEU 49 Cb -0.13 -0.52 -0.27 0.00 0.02 0.00 0.00 46.19 45.29 2kuq s LEU 49 CO 0.02 -0.33 0.52 -0.74 0.02 0.00 0.00 176.35 175.84 2kuq h HIS 50 N 2.49 0.43 0.00 0.29 -0.00 -1.97 -3.40 115.15 112.99 2kuq h HIS 50 Ca -0.38 -0.32 -0.19 0.00 -0.00 0.00 0.00 60.37 59.48 2kuq h HIS 50 Cb 1.22 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.58 2kuq h HIS 50 CO 0.66 1.58 -0.97 -0.09 -0.00 0.00 0.00 177.93 179.12 2kuq h ARG 51 N -0.28 0.00 -6.27 5.26 1.12 -1.93 -3.47 114.38 108.81 2kuq h ARG 51 Ca -0.32 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 57.94 2kuq h ARG 51 Cb 1.78 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 31.61 2kuq h ARG 51 CO 0.05 0.82 -0.74 1.03 -3.11 0.00 0.00 179.97 178.03 2kuq s ARG 52 N -2.76 1.84 0.77 0.20 0.52 -1.26 -5.04 118.95 113.22 2kuq s ARG 52 Ca 0.01 -1.63 -0.12 0.00 -0.52 0.00 0.00 55.73 53.47 2kuq s ARG 52 Cb 0.09 -1.90 0.06 0.00 0.52 0.00 0.00 34.95 33.73 2kuq s ARG 52 CO 0.80 0.35 1.14 -1.21 0.02 0.00 0.00 175.30 176.40 2kuq s GLU 53 N -3.42 2.05 0.35 3.54 2.02 -1.26 -4.30 118.70 117.68 2kuq s GLU 53 Ca 0.29 1.45 -0.29 0.00 0.02 0.00 0.00 54.97 56.45 2kuq s GLU 53 Cb -0.06 -1.85 -0.11 0.00 0.10 0.00 0.00 34.13 32.21 2kuq s GLU 53 CO 0.16 -1.84 1.46 0.00 0.02 0.00 0.00 175.26 175.06 2kuq s ALA 54 N -2.49 3.59 -0.16 5.21 0.00 -1.26 -4.69 121.76 121.95 2kuq s ALA 54 Ca 0.67 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.13 2kuq s ALA 54 Cb -0.22 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2kuq s ALA 54 CO 0.51 -0.94 -0.16 0.08 0.00 0.00 0.00 175.76 175.24 2kuq s VAL 55 N -0.90 2.60 -0.04 0.00 1.01 0.32 -4.95 120.40 118.44 2kuq s VAL 55 Ca 0.54 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.79 2kuq s VAL 55 Cb -0.45 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2kuq s VAL 55 CO 0.58 0.52 -0.22 -0.13 0.00 0.00 0.00 175.10 175.85 2kuq s ARG 56 N 0.86 2.31 -0.21 2.72 0.52 -1.26 -0.70 118.95 123.18 2kuq s ARG 56 Ca -0.05 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 2kuq s ARG 56 Cb -0.15 -2.18 0.06 0.00 0.52 0.00 0.00 34.95 33.20 2kuq s ARG 56 CO -0.01 0.56 0.01 -1.58 0.02 0.00 0.00 175.30 174.30 2kuq s TRP 57 N -0.60 1.52 0.36 -0.53 0.51 -0.11 -4.11 118.94 115.98 2kuq s TRP 57 Ca 0.09 -1.19 -0.28 0.00 -2.12 0.00 0.00 56.10 52.60 2kuq s TRP 57 Cb -0.11 -1.24 -0.10 0.00 -0.81 0.00 0.00 33.47 31.22 2kuq s TRP 57 CO -0.00 -0.68 1.33 -1.25 -0.51 0.00 0.00 176.95 175.84 2kuq s PRO 58 N 1.69 4.20 0.48 4.98 0.04 -1.26 -1.38 135.00 143.75 2kuq s PRO 58 Ca -0.02 2.25 0.22 0.00 0.04 0.00 0.00 61.00 63.48 2kuq s PRO 58 Cb -0.18 -2.96 1.23 0.00 0.04 0.00 0.00 34.50 32.63 2kuq s PRO 58 CO -0.08 -0.33 2.01 1.88 0.04 0.00 0.00 177.00 180.53 2kuq h TYR 59 N 3.11 0.00 0.00 0.56 0.05 -1.94 -0.86 116.97 117.89 2kuq h TYR 59 Ca -0.49 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.24 2kuq h TYR 59 Cb 1.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 2kuq h TYR 59 CO 0.55 0.17 -0.22 1.37 -1.05 0.00 0.00 178.16 178.98 2kuq h LEU 60 N 0.00 0.00 -0.23 3.88 -0.00 -1.93 -2.86 115.31 114.17 2kuq h LEU 60 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kuq h LEU 60 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2kuq h LEU 60 CO 0.02 0.22 -0.18 0.00 -0.00 0.00 0.00 178.44 178.50 2kuq s LEU 62 N -2.60 4.15 0.12 0.00 1.43 -1.08 -0.77 118.68 119.92 2kuq s LEU 62 Ca 0.24 1.79 -0.04 0.00 -1.03 0.00 0.00 54.13 55.10 2kuq s LEU 62 Cb 0.19 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.74 2kuq s LEU 62 CO 0.52 -0.92 1.26 0.03 0.23 0.00 0.00 176.35 177.47 2kuq h ARG 63 N 9.11 0.34 -1.70 1.70 -0.00 -1.52 -3.43 114.38 118.89 2kuq h ARG 63 Ca -0.31 -0.42 0.17 0.00 -0.50 0.00 0.00 59.98 58.91 2kuq h ARG 63 Cb 1.13 0.13 -0.20 0.00 0.00 0.00 0.00 29.97 31.04 2kuq h ARG 63 CO 0.98 1.12 0.66 -0.98 0.00 0.00 0.00 179.97 181.75 2kuq s ARG 64 N -3.07 0.51 -0.00 0.04 1.70 -1.25 -4.69 118.95 112.18 2kuq s ARG 64 Ca -0.05 -0.09 -0.18 0.00 -0.47 0.00 0.00 55.73 54.94 2kuq s ARG 64 Cb 0.08 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.73 2kuq s ARG 64 CO 0.87 -0.20 0.39 1.52 -1.08 0.00 0.00 175.30 176.80 2kuq s TYR 65 N -2.16 -0.27 0.25 5.89 -0.85 -0.79 -1.11 117.35 118.31 2kuq s TYR 65 Ca 0.05 0.38 -0.20 0.00 -0.52 0.00 0.00 57.07 56.78 2kuq s TYR 65 Cb -0.01 0.17 0.07 0.00 0.38 0.00 0.00 41.96 42.57 2kuq s TYR 65 CO -0.05 -0.47 0.96 0.20 -1.52 0.00 0.00 175.55 174.67 2kuq s GLY 66 N -1.49 0.18 0.08 5.49 0.00 0.15 -0.74 107.32 110.98 2kuq s GLY 66 Ca -0.11 -0.45 -0.24 0.00 0.00 0.00 0.00 44.72 43.93 2kuq s GLY 66 CO 0.03 1.47 0.57 -2.52 0.00 0.00 0.00 173.10 172.65 2kuq s TYR 67 N -2.27 -0.49 0.21 1.90 1.13 -1.11 -1.70 117.35 115.00 2kuq s TYR 67 Ca 0.19 0.49 0.02 0.00 -1.41 0.00 0.00 57.07 56.36 2kuq s TYR 67 Cb -0.03 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 41.25 2kuq s TYR 67 CO 0.07 -0.72 0.08 -3.47 -2.51 0.00 0.00 175.55 169.00 2kuq n ASP 68 N 0.15 1.04 0.27 -0.18 -0.08 0.63 -2.83 116.55 115.56 2kuq n ASP 68 Ca -0.18 -2.10 0.11 0.00 -1.51 0.00 0.00 54.79 51.12 2kuq n ASP 68 Cb 0.62 0.53 0.75 0.00 2.34 0.00 0.00 41.12 45.36 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 0.83 0.00 0.00 1.67 0.87 -1.98 -3.20 113.55 111.74 2kuq h SER 69 Ca -0.16 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2kuq h SER 69 Cb 0.61 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.51 2kuq h SER 69 CO 0.25 0.03 -0.48 0.59 -0.53 0.00 0.00 176.83 176.69 2kuq n ASN 70 N -4.13 0.11 -3.78 6.23 3.02 -1.26 -4.81 115.26 110.64 2kuq n ASN 70 Ca -0.03 -1.82 -0.13 0.00 -0.03 0.00 0.00 54.58 52.57 2kuq n ASN 70 Cb 0.12 -0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 39.01 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2kuq s LEU 71 N 0.00 0.98 -0.08 3.41 2.96 -1.21 -1.08 118.68 123.66 2kuq s LEU 71 Ca 0.05 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 2kuq s LEU 71 Cb 0.06 0.67 0.01 0.00 0.50 0.00 0.00 46.19 47.42 2kuq s LEU 71 CO -0.03 -0.10 -0.19 0.12 -1.32 0.00 0.00 176.35 174.84 2kuq s PHE 72 N 0.49 2.05 0.02 5.38 5.36 -0.14 -0.27 117.98 130.87 2kuq s PHE 72 Ca -0.03 -0.80 -0.07 0.00 -0.96 0.00 0.00 56.93 55.07 2kuq s PHE 72 Cb -0.05 -1.41 -0.00 0.00 -0.34 0.00 0.00 43.02 41.22 2kuq s PHE 72 CO -0.02 -0.35 0.12 0.45 -1.46 0.00 0.00 175.22 173.96 2kuq s SER 73 N 0.47 0.08 0.06 6.13 0.15 -0.69 -1.03 113.70 118.87 2kuq s SER 73 Ca -0.16 -0.34 -0.21 0.00 0.70 0.00 0.00 55.95 55.94 2kuq s SER 73 Cb -0.17 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2kuq s SER 73 CO 0.06 -0.42 0.49 0.72 1.20 0.00 0.00 173.24 175.29 2kuq s PHE 74 N -1.86 -0.38 -0.24 3.44 -0.12 -0.94 -0.68 117.98 117.21 2kuq s PHE 74 Ca -0.11 0.36 -0.08 0.00 -0.05 0.00 0.00 56.93 57.05 2kuq s PHE 74 Cb -0.05 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 2kuq s PHE 74 CO -0.01 -0.64 0.08 -2.00 -0.05 0.00 0.00 175.22 172.60 2kuq s GLU 75 N -2.64 3.75 0.17 1.99 2.56 -0.26 -1.76 118.70 122.51 2kuq s GLU 75 Ca -0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 54.97 54.45 2kuq s GLU 75 Cb -0.00 -3.35 -0.05 0.00 2.00 0.00 0.00 34.13 32.73 2kuq s GLU 75 CO -0.03 -0.10 0.41 -1.54 -0.56 0.00 0.00 175.26 173.43 2kuq s SER 76 N 1.41 6.47 0.58 -1.70 1.04 -0.48 -1.34 113.70 119.68 2kuq s SER 76 Ca 0.06 0.59 -0.13 0.00 0.48 0.00 0.00 55.95 56.94 2kuq s SER 76 Cb -0.15 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 2kuq s SER 76 CO 0.04 0.00 1.02 -0.83 0.98 0.00 0.00 173.24 174.45 2kuq s GLY 77 N -2.64 1.83 0.00 7.32 0.00 0.05 -3.60 107.32 110.28 2kuq s GLY 77 Ca 0.41 0.03 0.12 0.00 0.00 0.00 0.00 44.72 45.29 2kuq s GLY 77 CO 0.26 0.31 1.21 -0.96 0.00 0.00 0.00 173.10 173.91 2kuq n ARG 78 N -2.30 0.34 -0.02 2.90 -4.01 -1.26 -3.00 116.66 109.31 2kuq n ARG 78 Ca 0.06 0.04 0.02 0.00 -1.04 0.00 0.00 57.85 56.93 2kuq n ARG 78 Cb 0.54 -1.50 0.03 0.00 -3.04 0.00 0.00 32.46 28.49 2kuq n ARG 78 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2kuq n ARG 79 N -1.07 0.70 -1.68 2.89 1.85 -1.26 -4.50 116.66 113.59 2kuq n ARG 79 Ca 0.09 -1.05 -0.26 0.00 -1.00 0.00 0.00 57.85 55.63 2kuq n ARG 79 Cb 0.06 -1.08 0.18 0.00 -1.05 0.00 0.00 32.46 30.57 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kuq h GLN 81 N 0.00 0.79 0.00 0.00 4.15 -1.92 -2.86 115.11 115.27 2kuq h GLN 81 Ca -0.38 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kuq h GLN 81 Cb 1.04 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.57 2kuq h GLN 81 CO 0.27 0.56 -0.68 0.25 -1.93 0.00 0.00 178.83 177.29 2kuq n THR 82 N -4.42 0.00 -4.33 2.39 -2.24 -1.26 -5.09 114.28 99.33 2kuq n THR 82 Ca 0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2kuq n THR 82 Cb 0.07 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.50 -1.03 3.69 3.38 0.00 -1.08 -4.82 105.19 106.82 2kuq n GLY 83 Ca 0.05 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 4.39 -0.20 1.61 0.74 -1.24 -4.53 119.66 120.42 2kuq s GLN 84 Ca 0.00 1.60 -0.35 0.00 0.05 0.00 0.00 55.36 56.65 2kuq s GLN 84 Cb 0.00 -3.53 0.14 0.00 1.10 0.00 0.00 33.01 30.72 2kuq s GLN 84 CO 0.00 -0.38 1.23 0.20 -0.55 0.00 0.00 175.29 175.79 2kuq s GLY 85 N 1.32 -0.27 -0.26 2.59 0.00 -1.24 -4.99 107.32 104.47 2kuq s GLY 85 Ca 0.54 1.68 -0.12 0.00 0.00 0.00 0.00 44.72 46.82 2kuq s GLY 85 CO 0.22 0.57 0.22 -0.42 0.00 0.00 0.00 173.10 173.69 2kuq s ILE 86 N -2.31 5.30 0.00 0.90 1.01 -1.25 -1.39 121.20 123.46 2kuq s ILE 86 Ca 0.09 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2kuq s ILE 86 Cb -0.01 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2kuq s ILE 86 CO -0.04 0.26 -0.08 -0.36 0.00 0.00 0.00 174.94 174.72 2kuq s PHE 87 N 1.58 2.85 -0.01 3.97 0.08 -0.72 -0.68 117.98 125.05 2kuq s PHE 87 Ca 0.09 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.08 2kuq s PHE 87 Cb -0.15 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2kuq s PHE 87 CO 0.09 0.36 -0.00 0.00 -0.10 0.00 0.00 175.22 175.56 2kuq s ALA 88 N -0.98 0.18 -0.06 5.36 0.00 -1.26 -2.21 121.76 122.79 2kuq s ALA 88 Ca 0.17 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.24 2kuq s ALA 88 Cb -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2kuq s ALA 88 CO 0.07 -0.03 -0.14 -0.06 0.00 0.00 0.00 175.76 175.60 2kuq s PHE 89 N 0.54 1.56 -0.20 0.00 0.40 -0.20 -1.42 117.98 118.66 2kuq s PHE 89 Ca -0.05 -0.53 -0.20 0.00 -0.60 0.00 0.00 56.93 55.55 2kuq s PHE 89 Cb -0.07 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 2kuq s PHE 89 CO -0.01 -0.24 0.60 0.21 0.70 0.00 0.00 175.22 176.48 2kuq s LYS 90 N 0.42 4.21 -0.29 0.44 2.20 -0.03 -0.97 119.74 125.72 2kuq s LYS 90 Ca -0.11 0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 55.91 2kuq s LYS 90 Cb -0.14 -3.57 0.15 0.00 -1.51 0.00 0.00 37.83 32.75 2kuq s LYS 90 CO 0.03 -0.22 0.98 0.00 -0.36 0.00 0.00 175.35 175.79 2kuq n SER 92 N 3.77 0.32 -1.47 0.00 7.64 -1.26 -2.68 113.62 119.94 2kuq n SER 92 Ca -0.18 0.59 0.10 0.00 1.01 0.00 0.00 58.87 60.39 2kuq n SER 92 Cb 0.57 -0.65 0.34 0.00 -1.01 0.00 0.00 64.21 63.46 2kuq n SER 92 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kuq n ARG 93 N -1.87 3.44 -0.26 1.43 1.74 -1.26 -4.74 116.66 115.15 2kuq n ARG 93 Ca 0.02 -2.80 0.21 0.00 -0.77 0.00 0.00 57.85 54.51 2kuq n ARG 93 Cb 0.18 -1.79 0.53 0.00 -1.02 0.00 0.00 32.46 30.37 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 4.00 2.29 -0.57 7.54 0.00 -1.81 -0.02 119.26 130.68 2kuq h ALA 94 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kuq h ALA 94 Cb 1.31 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2kuq h ALA 94 CO 0.16 -0.60 0.16 1.49 0.00 0.00 0.00 179.25 180.46 2kuq h GLU 95 N 0.36 0.86 -0.24 0.00 4.81 -1.85 -1.52 114.58 117.01 2kuq h GLU 95 Ca 0.50 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.40 2kuq h GLU 95 Cb 1.32 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2kuq h GLU 95 CO -0.19 0.76 -0.48 0.93 -0.73 0.00 0.00 179.01 179.30 2kuq h GLU 96 N 0.83 0.65 -0.06 1.92 5.08 -1.38 -1.06 114.58 120.57 2kuq h GLU 96 Ca 0.19 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2kuq h GLU 96 Cb 0.27 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2kuq h GLU 96 CO -0.00 0.99 0.03 0.82 -1.00 0.00 0.00 179.01 179.84 2kuq h ILE 97 N 0.51 1.12 -0.42 3.13 2.04 -1.27 -1.08 117.51 121.54 2kuq h ILE 97 Ca 0.03 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2kuq h ILE 97 Cb 1.03 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2kuq h ILE 97 CO 0.10 0.10 0.25 0.15 0.00 0.00 0.00 178.15 178.75 2kuq h PHE 98 N -0.05 0.55 -0.24 1.37 3.57 -1.24 -0.03 116.94 120.89 2kuq h PHE 98 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kuq h PHE 98 Cb 0.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2kuq h PHE 98 CO -0.03 0.39 0.10 -0.91 -2.23 0.00 0.00 178.31 175.63 2kuq h ASN 99 N 0.56 0.33 -0.64 0.41 2.35 -1.16 -2.24 115.58 115.19 2kuq h ASN 99 Ca 0.15 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2kuq h ASN 99 Cb -0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2kuq h ASN 99 CO -0.03 0.40 0.23 0.25 -1.65 0.00 0.00 177.43 176.63 2kuq h LEU 100 N 0.23 0.93 0.36 1.61 5.85 -1.07 -1.44 115.31 121.79 2kuq h LEU 100 Ca 0.08 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2kuq h LEU 100 Cb 0.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2kuq h LEU 100 CO -0.01 0.86 -0.25 0.25 -0.34 0.00 0.00 178.44 178.95 2kuq h LEU 101 N 0.98 -0.65 -1.36 2.25 5.85 -0.86 -0.39 115.31 121.12 2kuq h LEU 101 Ca 0.22 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 2kuq h LEU 101 Cb 0.25 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2kuq h LEU 101 CO -0.01 -0.39 -0.30 0.06 -0.34 0.00 0.00 178.44 177.46 2kuq h GLN 102 N -0.60 0.00 -0.09 1.25 3.07 -1.26 -1.93 115.11 115.54 2kuq h GLN 102 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.66 2kuq h GLN 102 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 2kuq h GLN 102 CO 0.01 0.30 -0.12 -0.44 0.09 0.00 0.00 178.83 178.67 2kuq h ASP 103 N 0.00 0.27 0.40 0.06 3.32 -1.08 -2.90 116.42 116.49 2kuq h ASP 103 Ca -0.00 -0.51 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 2kuq h ASP 103 Cb 0.62 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2kuq h ASP 103 CO 0.04 0.72 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.97 2kuq h LEU 104 N -0.18 0.00 0.00 1.55 3.38 -0.94 0.43 115.31 119.55 2kuq h LEU 104 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kuq h LEU 104 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kuq h LEU 104 CO 0.03 0.24 0.00 0.23 0.09 0.00 0.00 178.44 179.02 2kuq n MET 105 N -3.88 0.30 0.00 1.13 2.81 -0.74 -3.37 117.12 113.36 2kuq n MET 105 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2kuq n MET 105 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 2kuq n MET 105 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kuq n GLN 106 N -1.35 2.11 -2.22 0.03 10.64 -0.85 -4.85 117.38 120.90 2kuq n GLN 106 Ca 0.12 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.16 2kuq n GLN 106 Cb 0.27 -0.81 0.04 0.00 -0.86 0.00 0.00 30.24 28.88 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 -3.60 4.96 -1.18 0.00 4.22 -1.22 -4.87 114.94 113.25 2kuq s ASN 108 Ca 0.41 1.06 -0.04 0.00 -2.14 0.00 0.00 52.86 52.15 2kuq s ASN 108 Cb 0.38 -2.51 0.22 0.00 1.28 0.00 0.00 41.25 40.62 2kuq s ASN 108 CO 0.00 -2.48 2.05 -0.24 -2.04 0.00 0.00 177.10 174.39 2kuq n SER 109 N 13.86 7.46 0.24 3.54 2.88 -1.26 -4.83 113.62 135.50 2kuq n SER 109 Ca 0.30 -3.39 0.14 0.00 -1.33 0.00 0.00 58.87 54.59 2kuq n SER 109 Cb 0.52 -1.28 0.76 0.00 -0.75 0.00 0.00 64.21 63.45 2kuq n SER 109 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2kuq h ILE 110 N 2.57 0.00 -0.61 2.46 2.04 -1.93 -0.87 117.51 121.16 2kuq h ILE 110 Ca 0.58 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.61 2kuq h ILE 110 Cb 0.35 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2kuq h ILE 110 CO 1.35 0.00 0.43 -1.13 0.00 0.00 0.00 178.15 178.80 2kuq h ASN 111 N 0.00 0.04 -2.94 1.72 -1.24 -2.02 -3.43 115.58 107.70 2kuq h ASN 111 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.08 2kuq h ASN 111 Cb 0.19 -0.01 -0.25 0.00 0.73 0.00 0.00 38.32 38.98 2kuq h ASN 111 CO 0.00 0.02 0.32 0.54 -1.29 0.00 0.00 177.43 177.02 2kuq s VAL 112 N -5.05 0.00 0.08 2.57 0.11 -0.33 -5.17 120.40 112.61 2kuq s VAL 112 Ca -0.05 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2kuq s VAL 112 Cb 0.20 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2kuq s VAL 112 CO 0.74 0.00 0.11 0.00 -3.33 0.00 0.00 175.10 172.62 2kuq s MET 113 N 0.96 2.97 -0.07 1.54 0.23 -1.26 -4.82 119.30 118.86 2kuq s MET 113 Ca -0.05 -0.66 -0.06 0.00 -1.03 0.00 0.00 55.69 53.89 2kuq s MET 113 Cb -0.04 -2.77 0.02 0.00 -1.53 0.00 0.00 34.83 30.51 2kuq s MET 113 CO -0.12 0.57 0.18 -1.21 -2.03 0.00 0.00 175.02 172.41 2kuq s GLU 114 N -2.47 0.19 0.34 3.16 2.02 -1.26 -5.17 118.70 115.51 2kuq s GLU 114 Ca 0.30 0.28 -0.06 0.00 0.02 0.00 0.00 54.97 55.51 2kuq s GLU 114 Cb -0.12 0.06 -0.05 0.00 0.10 0.00 0.00 34.13 34.11 2kuq s GLU 114 CO 0.23 -0.05 0.63 -1.83 0.02 0.00 0.00 175.26 174.26 2kuq s GLU 115 N 0.29 3.65 0.64 1.61 1.03 -1.26 -5.11 118.70 119.54 2kuq s GLU 115 Ca -0.02 0.11 -0.10 0.00 0.03 0.00 0.00 54.97 54.99 2kuq s GLU 115 Cb -0.03 -2.56 -0.02 0.00 -0.80 0.00 0.00 34.13 30.72 2kuq s GLU 115 CO -0.01 0.11 1.02 -1.25 -1.33 0.00 0.00 175.26 173.80 2kuq s PRO 116 N -3.78 3.28 -0.09 -4.83 0.04 -1.26 -4.84 135.00 123.53 2kuq s PRO 116 Ca 0.46 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 2kuq s PRO 116 Cb -0.10 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2kuq s PRO 116 CO 0.32 -0.71 0.45 0.08 0.04 0.00 0.00 177.00 177.18 2kuq s VAL 117 N -3.19 5.15 -0.10 -0.36 1.01 -1.26 -4.58 120.40 117.06 2kuq s VAL 117 Ca 0.55 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2kuq s VAL 117 Cb -0.11 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.51 2kuq s VAL 117 CO 0.52 0.39 -0.08 -0.63 0.00 0.00 0.00 175.10 175.29 2kuq s ILE 118 N 0.22 1.03 -0.27 2.22 -1.09 -1.26 -5.03 121.20 117.02 2kuq s ILE 118 Ca 0.25 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2kuq s ILE 118 Cb -0.15 -1.03 0.07 0.00 -1.58 0.00 0.00 42.46 39.77 2kuq s ILE 118 CO 0.11 0.36 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.50 2kuq s ILE 119 N 1.46 1.86 -1.52 2.92 -1.09 -1.26 -4.72 121.20 118.86 2kuq s ILE 119 Ca 0.00 -1.59 -0.03 0.00 -2.23 0.00 0.00 60.65 56.80 2kuq s ILE 119 Cb -0.13 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 2kuq s ILE 119 CO -0.05 -0.21 0.06 0.35 -1.23 0.00 0.00 174.94 173.86 2kuq n THR 120 N 4.52 -1.15 -3.54 2.92 -2.24 -1.26 -4.94 114.28 108.59 2kuq n THR 120 Ca -0.09 -0.51 -0.23 0.00 -2.27 0.00 0.00 64.05 60.95 2kuq n THR 120 Cb 0.43 -1.11 -0.15 0.00 -2.10 0.00 0.00 70.33 67.40 2kuq n THR 120 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kuq s SER 121 N -4.31 2.18 0.45 3.42 0.01 -1.26 -5.12 113.70 109.07 2kuq s SER 121 Ca 0.05 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.75 2kuq s SER 121 Cb -0.03 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 2kuq s SER 121 CO 1.00 -0.36 0.14 -0.83 0.41 0.00 0.00 173.24 173.59 2kuq s GLY 122 N 2.21 2.54 -0.24 3.44 0.00 -1.26 -2.85 107.32 111.16 2kuq s GLY 122 Ca 0.05 -1.62 -0.26 0.00 0.00 0.00 0.00 44.72 42.89 2kuq s GLY 122 CO -0.17 -2.02 0.85 -0.45 0.00 0.00 0.00 173.10 171.31 2kuq s SER 123 N -3.92 -0.60 0.23 1.64 0.15 -0.83 -4.75 113.70 105.63 2kuq s SER 123 Ca 0.31 1.07 -0.22 0.00 0.70 0.00 0.00 55.95 57.81 2kuq s SER 123 Cb 0.04 1.06 0.04 0.00 -1.71 0.00 0.00 66.02 65.45 2kuq s SER 123 CO 0.17 -0.26 0.83 -0.94 1.20 0.00 0.00 173.24 174.24 2kuq s SER 124 N 0.04 -0.20 0.00 5.45 1.04 -1.26 -4.74 113.70 114.03 2kuq s SER 124 Ca -0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2kuq s SER 124 Cb -0.04 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2kuq s SER 124 CO -0.01 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.65 2kuq n GLY 125 N -0.48 3.31 3.93 7.32 0.00 -1.26 -5.20 105.19 112.81 2kuq n GLY 125 Ca -0.05 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 45.02 2kuq n GLY 125 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 126 N 0.00 0.01 0.01 1.61 1.04 -1.26 -5.20 113.70 109.91 2kuq s SER 126 Ca 0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2kuq s SER 126 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2kuq s SER 126 CO 0.00 -0.62 -0.03 -0.44 0.98 0.00 0.00 173.24 173.13 2kuq s SER 127 N -3.61 0.27 0.47 7.02 0.01 -1.26 -5.16 113.70 111.44 2kuq s SER 127 Ca 0.26 -0.32 -0.21 0.00 1.31 0.00 0.00 55.95 56.99 2kuq s SER 127 Cb -0.01 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 2kuq s SER 127 CO 0.02 -0.17 1.03 -0.83 0.41 0.00 0.00 173.24 173.70 2kuq s GLY 128 N -0.92 2.51 0.13 3.44 0.00 -1.26 -5.07 107.32 106.16 2kuq s GLY 128 Ca -0.09 0.59 -0.25 0.00 0.00 0.00 0.00 44.72 44.97 2kuq s GLY 128 CO -0.00 0.91 1.02 -1.35 0.00 0.00 0.00 173.10 173.68 2kuq s SER 129 N -1.97 -0.13 -0.22 1.64 1.04 -1.26 -5.17 113.70 107.63 2kuq s SER 129 Ca 0.66 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 56.63 2kuq s SER 129 Cb -0.16 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.51 2kuq s SER 129 CO 0.20 -0.83 0.40 -0.55 0.98 0.00 0.00 173.24 173.44 2kuq s SER 130 N -3.02 -0.07 0.61 7.02 0.15 -1.26 -4.97 113.70 112.15 2kuq s SER 130 Ca 0.14 0.67 -0.07 0.00 0.70 0.00 0.00 55.95 57.39 2kuq s SER 130 Cb -0.01 1.27 0.01 0.00 -1.71 0.00 0.00 66.02 65.58 2kuq s SER 130 CO 0.02 -0.26 0.94 -0.83 1.20 0.00 0.00 173.24 174.30 2kuq s GLY 131 N 2.59 1.61 -0.04 9.45 0.00 -1.26 -5.04 107.32 114.63 2kuq s GLY 131 Ca 0.05 -0.64 0.11 0.00 0.00 0.00 0.00 44.72 44.24 2kuq s GLY 131 CO -0.14 -0.34 1.26 1.44 0.00 0.00 0.00 173.10 175.31 2kuq n SER 132 N -2.66 3.00 -3.30 1.64 7.64 -1.26 -5.05 113.62 113.63 2kuq n SER 132 Ca 0.05 -2.25 -0.07 0.00 1.01 0.00 0.00 58.87 57.62 2kuq n SER 132 Cb 0.58 -0.28 0.01 0.00 -1.01 0.00 0.00 64.21 63.51 2kuq n SER 132 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kuq s SER 133 N -1.26 -0.07 1.03 6.43 1.04 -1.26 -5.19 113.70 114.43 2kuq s SER 133 Ca 0.25 -0.85 -0.05 0.00 0.48 0.00 0.00 55.95 55.77 2kuq s SER 133 Cb 0.16 0.71 0.08 0.00 0.10 0.00 0.00 66.02 67.06 2kuq s SER 133 CO 0.12 -1.38 0.36 0.61 0.98 0.00 0.00 173.24 173.93 2kuq n GLY 134 N -0.55 -1.83 3.63 7.32 0.00 -1.26 -5.03 105.19 107.47 2kuq n GLY 134 Ca -0.06 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2kuq n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kuq n LEU 135 N 0.00 3.16 -4.68 0.99 4.77 -1.26 -4.91 117.00 115.08 2kuq n LEU 135 Ca 0.05 1.01 -0.43 0.00 -0.03 0.00 0.00 56.01 56.61 2kuq n LEU 135 Cb 0.17 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 39.84 2kuq n LEU 135 CO 0.12 -1.36 0.98 0.12 -1.33 0.00 0.00 177.39 175.93 2kuq s PHE 136 N -1.30 3.10 -0.45 -1.77 2.19 -1.26 -5.00 117.98 113.49 2kuq s PHE 136 Ca 0.65 1.18 -0.26 0.00 0.33 0.00 0.00 56.93 58.84 2kuq s PHE 136 Cb -0.52 -3.43 0.03 0.00 -1.31 0.00 0.00 43.02 37.79 2kuq s PHE 136 CO 0.55 -1.33 0.94 1.03 1.83 0.00 0.00 175.22 178.24 2kuq s ARG 137 N 2.67 3.58 0.36 10.12 3.00 -1.26 -4.45 118.95 132.96 2kuq s ARG 137 Ca 0.54 0.23 -0.25 0.00 0.00 0.00 0.00 55.73 56.25 2kuq s ARG 137 Cb -0.23 -3.91 -0.09 0.00 0.00 0.00 0.00 34.95 30.72 2kuq s ARG 137 CO 0.18 -1.21 1.03 -0.51 0.00 0.00 0.00 175.30 174.80 2kuq s LEU 138 N 3.78 4.26 0.13 2.53 1.43 0.14 -4.89 118.68 126.06 2kuq s LEU 138 Ca 0.38 2.02 0.07 0.00 -1.03 0.00 0.00 54.13 55.57 2kuq s LEU 138 Cb -0.10 -4.05 -0.19 0.00 0.03 0.00 0.00 46.19 41.88 2kuq s LEU 138 CO 0.26 -0.32 1.29 0.03 0.23 0.00 0.00 176.35 177.84 2kuq h ARG 139 N 2.89 0.00 -5.97 1.70 -0.00 -1.97 -3.32 114.38 107.71 2kuq h ARG 139 Ca -0.48 -0.00 -0.55 0.00 -0.50 0.00 0.00 59.98 58.46 2kuq h ARG 139 Cb 1.21 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.11 2kuq h ARG 139 CO 0.64 0.99 -0.44 -3.38 0.00 0.00 0.00 179.97 177.77 2kuq s HIS 140 N -2.74 2.54 -0.28 3.04 -3.43 -1.26 -5.04 115.29 108.12 2kuq s HIS 140 Ca 0.01 -0.59 -0.10 0.00 -0.80 0.00 0.00 55.06 53.58 2kuq s HIS 140 Cb 0.10 -2.02 -0.04 0.00 -1.43 0.00 0.00 32.58 29.20 2kuq s HIS 140 CO 0.82 0.04 0.16 0.12 -2.00 0.00 0.00 174.74 173.87 2kuq s PHE 141 N -2.58 3.18 -0.11 0.38 5.36 -1.26 -4.92 117.98 118.02 2kuq s PHE 141 Ca 0.42 -0.09 0.15 0.00 -0.96 0.00 0.00 56.93 56.45 2kuq s PHE 141 Cb 0.01 -2.34 -0.09 0.00 -0.34 0.00 0.00 43.02 40.26 2kuq s PHE 141 CO 0.24 -0.24 1.02 -1.00 -1.46 0.00 0.00 175.22 173.77 2kuq h PRO 142 N 8.34 0.00 -6.62 10.12 0.13 -1.98 -3.47 132.00 138.51 2kuq h PRO 142 Ca -0.36 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.27 2kuq h PRO 142 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kuq h PRO 142 CO 0.57 0.41 0.33 0.00 -0.23 0.00 0.00 178.00 179.07 2kuq h GLY 144 N 4.87 0.00 -5.63 0.00 0.00 -1.91 -3.43 103.07 96.97 2kuq h GLY 144 Ca -0.44 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.23 2kuq h GLY 144 CO 0.70 0.00 -0.46 -1.31 0.00 0.00 0.00 176.54 175.47 2kuq s ASN 145 N -6.06 6.41 -0.00 0.19 0.01 -1.13 -5.04 114.94 109.34 2kuq s ASN 145 Ca 0.05 0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 2kuq s ASN 145 Cb 0.07 -2.09 -0.00 0.00 0.41 0.00 0.00 41.25 39.64 2kuq s ASN 145 CO 0.63 0.39 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.90 2kuq s VAL 146 N -0.94 0.13 0.06 1.60 1.01 -1.26 -2.77 120.40 118.23 2kuq s VAL 146 Ca 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2kuq s VAL 146 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 2kuq s VAL 146 CO 0.04 0.03 0.03 0.21 0.00 0.00 0.00 175.10 175.42 2kuq s ASN 147 N -0.05 0.38 -0.05 3.32 2.47 0.08 -4.99 114.94 116.09 2kuq s ASN 147 Ca 0.00 -0.91 0.03 0.00 0.42 0.00 0.00 52.86 52.41 2kuq s ASN 147 Cb -0.01 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 40.04 2kuq s ASN 147 CO -0.00 -0.64 -0.15 -0.31 -3.72 0.00 0.00 177.10 172.28 2kuq s TYR 148 N -3.91 1.58 0.00 0.43 2.02 -1.26 -1.88 117.35 114.34 2kuq s TYR 148 Ca 0.07 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2kuq s TYR 148 Cb 0.07 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.53 2kuq s TYR 148 CO -0.10 -0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 2kuq n GLY 149 N 3.45 0.55 3.69 0.71 0.00 -1.26 -5.04 105.19 107.29 2kuq n GLY 149 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 1.56 -3.60 1.61 4.02 -1.26 -5.04 117.16 114.44 2kuq n TYR 150 Ca 0.00 0.43 -0.12 0.00 -0.01 0.00 0.00 57.90 58.20 2kuq n TYR 150 Cb 0.00 -2.23 -0.05 0.00 -0.02 0.00 0.00 39.34 37.04 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 -3.05 1.07 -0.60 -0.72 0.00 -1.26 -5.04 119.66 110.06 2kuq s GLN 151 Ca 0.78 -0.55 -0.28 0.00 -0.00 0.00 0.00 55.36 55.31 2kuq s GLN 151 Cb -0.40 0.48 0.03 0.00 0.00 0.00 0.00 33.01 33.11 2kuq s GLN 151 CO 0.44 -0.41 1.24 1.14 0.00 0.00 0.00 175.29 177.70 2kuq s GLN 152 N -3.39 3.43 0.00 9.60 -2.07 -1.26 -5.26 119.66 120.72 2kuq s GLN 152 Ca 0.00 0.21 0.24 0.00 -1.82 0.00 0.00 55.36 53.99 2kuq s GLN 152 Cb 0.01 -4.06 0.20 0.00 -1.09 0.00 0.00 33.01 28.08 2kuq s GLN 152 CO -0.09 -1.79 1.27 1.04 -1.32 0.00 0.00 175.29 174.40