#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 -0.52 -0.07 1.61 0.15 -1.26 -5.11 113.70 108.50 2kuq s SER 2 Ca 0.00 0.52 -0.24 0.00 0.70 0.00 0.00 55.95 56.93 2kuq s SER 2 Cb 0.00 0.48 -0.19 0.00 -1.71 0.00 0.00 66.02 64.59 2kuq s SER 2 CO 0.00 -0.57 0.95 0.28 1.20 0.00 0.00 173.24 175.09 2kuq h SER 3 N 3.21 -0.07 -3.85 5.45 0.02 -2.03 -3.51 113.55 112.76 2kuq h SER 3 Ca -0.28 -0.55 0.12 0.00 -0.84 0.00 0.00 61.79 60.24 2kuq h SER 3 Cb 1.15 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 2kuq h SER 3 CO 0.39 0.57 -0.36 0.61 -1.14 0.00 0.00 176.83 176.90 2kuq n GLY 4 N 0.77 -2.54 2.65 -3.77 0.00 -1.26 -4.87 105.19 96.17 2kuq n GLY 4 Ca -0.08 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 2kuq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 5 N -5.39 3.70 0.34 1.61 0.01 -1.26 -4.87 113.70 107.85 2kuq s SER 5 Ca 0.00 -1.83 0.27 0.00 1.31 0.00 0.00 55.95 55.69 2kuq s SER 5 Cb 0.00 -0.72 1.04 0.00 0.21 0.00 0.00 66.02 66.55 2kuq s SER 5 CO 0.00 -0.38 1.79 0.28 0.41 0.00 0.00 173.24 175.34 2kuq h SER 6 N 7.74 0.00 -3.64 2.44 0.02 -1.93 -3.50 113.55 114.68 2kuq h SER 6 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2kuq h SER 6 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2kuq h SER 6 CO 0.43 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 2kuq n GLY 7 N 0.22 -2.00 3.73 -3.77 0.00 -1.26 -4.96 105.19 97.16 2kuq n GLY 7 Ca 0.02 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.97 4.43 0.29 0.99 2.34 -1.26 -4.86 118.68 118.64 2kuq s LEU 8 Ca 0.00 2.23 0.00 0.00 0.06 0.00 0.00 54.13 56.42 2kuq s LEU 8 Cb 0.00 -3.60 0.00 0.00 -0.56 0.00 0.00 46.19 42.03 2kuq s LEU 8 CO 0.00 -0.41 0.00 -3.20 -1.06 0.00 0.00 176.35 171.68 2kuq n ASN 9 N 2.75 -2.10 0.00 1.48 5.15 -1.26 -5.07 115.26 116.20 2kuq n ASN 9 Ca 0.05 0.54 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 2kuq n ASN 9 Cb 0.45 2.11 0.00 0.00 -0.53 0.00 0.00 39.78 41.81 2kuq n ASN 9 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2kuq n ARG 10 N -3.15 -0.07 0.00 1.20 3.00 -1.26 -4.86 116.66 111.52 2kuq n ARG 10 Ca 0.00 0.02 0.14 0.00 -0.00 0.00 0.00 57.85 58.01 2kuq n ARG 10 Cb 0.00 -3.64 0.65 0.00 0.00 0.00 0.00 32.46 29.47 2kuq n ARG 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kuq n ASP 11 N -0.04 0.75 -3.75 6.15 8.00 -1.26 -4.89 116.55 121.51 2kuq n ASP 11 Ca 0.00 -1.03 -0.09 0.00 0.71 0.00 0.00 54.79 54.38 2kuq n ASP 11 Cb 0.02 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2kuq n ASP 11 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kuq s SER 12 N -2.19 -0.29 -0.11 -2.24 1.04 -1.26 -5.13 113.70 103.52 2kuq s SER 12 Ca 0.37 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.25 2kuq s SER 12 Cb 0.21 0.62 0.05 0.00 0.10 0.00 0.00 66.02 67.00 2kuq s SER 12 CO 0.40 -1.13 0.27 -0.69 0.98 0.00 0.00 173.24 173.07 2kuq s VAL 13 N -3.88 -0.07 0.56 5.02 1.01 -1.26 -5.03 120.40 116.74 2kuq s VAL 13 Ca 0.10 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 2kuq s VAL 13 Cb -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 2kuq s VAL 13 CO -0.00 0.06 1.10 -2.16 0.00 0.00 0.00 175.10 174.10 2kuq s PRO 14 N 1.38 3.33 0.00 2.72 0.04 -1.26 -4.91 135.00 136.30 2kuq s PRO 14 Ca -0.08 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.52 2kuq s PRO 14 Cb -0.10 -2.01 0.40 0.00 0.04 0.00 0.00 34.50 32.82 2kuq s PRO 14 CO -0.09 -0.84 0.92 -0.25 0.04 0.00 0.00 177.00 176.78 2kuq n ASP 15 N -1.49 0.00 -0.50 6.66 8.00 -1.26 -3.06 116.55 124.90 2kuq n ASP 15 Ca 0.11 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2kuq n ASP 15 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kuq n ASN 16 N -0.67 0.00 -4.58 -2.24 6.94 -1.26 -4.94 115.26 108.51 2kuq n ASN 16 Ca 0.05 -1.90 -0.45 0.00 -0.02 0.00 0.00 54.58 52.26 2kuq n ASN 16 Cb 0.02 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.24 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 2kuq n HIS 17 N 0.00 1.19 0.25 -2.53 -0.00 -1.17 -4.92 115.22 108.03 2kuq n HIS 17 Ca 0.00 0.71 0.14 0.00 0.46 0.00 0.00 57.72 59.03 2kuq n HIS 17 Cb 0.68 -2.24 0.52 0.00 -0.12 0.00 0.00 29.99 28.83 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 2.13 0.00 0.00 1.57 0.13 -1.95 -3.37 132.00 130.52 2kuq h PRO 18 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kuq h PRO 18 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2kuq h PRO 18 CO 0.62 0.09 -0.38 0.25 -0.23 0.00 0.00 178.00 178.35 2kuq n THR 19 N -3.20 0.00 -3.85 1.56 -2.24 -1.26 -5.06 114.28 100.22 2kuq n THR 19 Ca 0.01 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 2kuq n THR 19 Cb 0.39 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.78 3.49 -0.13 -0.78 1.02 -1.26 -2.96 119.74 118.34 2kuq s LYS 20 Ca 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 2kuq s LYS 20 Cb 0.00 -2.98 0.06 0.00 -0.52 0.00 0.00 37.83 34.39 2kuq s LYS 20 CO 0.00 0.56 0.17 -0.06 -0.92 0.00 0.00 175.35 175.10 2kuq s PHE 21 N -1.58 -0.16 0.09 3.18 0.08 0.47 -4.36 117.98 115.70 2kuq s PHE 21 Ca 0.37 0.39 -0.31 0.00 0.12 0.00 0.00 56.93 57.50 2kuq s PHE 21 Cb -0.13 -0.34 -0.09 0.00 -0.57 0.00 0.00 43.02 41.90 2kuq s PHE 21 CO 0.27 -0.40 1.67 0.15 -0.10 0.00 0.00 175.22 176.82 2kuq s LYS 22 N 2.29 4.19 0.08 0.44 -0.14 -1.26 -0.72 119.74 124.61 2kuq s LYS 22 Ca 0.04 2.38 -0.04 0.00 -1.36 0.00 0.00 55.97 56.99 2kuq s LYS 22 Cb -0.14 -3.54 -0.03 0.00 -1.68 0.00 0.00 37.83 32.44 2kuq s LYS 22 CO -0.08 -0.74 0.06 0.14 -0.76 0.00 0.00 175.35 173.97 2kuq s VAL 23 N 2.48 0.18 -0.04 3.17 -7.23 -0.54 -4.81 120.40 113.60 2kuq s VAL 23 Ca 0.75 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 2kuq s VAL 23 Cb -0.41 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.01 2kuq s VAL 23 CO 0.33 -0.80 0.06 -0.89 -0.31 0.00 0.00 175.10 173.49 2kuq s THR 24 N -3.92 -0.09 0.32 5.32 2.01 -1.14 -0.85 115.64 117.29 2kuq s THR 24 Ca 0.09 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 2kuq s THR 24 Cb 0.07 -0.16 -0.10 0.00 0.01 0.00 0.00 72.50 72.31 2kuq s THR 24 CO -0.08 0.18 1.29 0.21 -0.69 0.00 0.00 174.62 175.53 2kuq s ASN 25 N 2.14 6.81 0.09 3.53 3.84 -0.43 -0.63 114.94 130.30 2kuq s ASN 25 Ca 0.05 2.64 0.03 0.00 0.21 0.00 0.00 52.86 55.79 2kuq s ASN 25 Cb -0.12 -2.65 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2kuq s ASN 25 CO -0.03 -0.51 -0.09 0.68 -2.79 0.00 0.00 177.10 174.36 2kuq s VAL 26 N -1.05 0.84 0.23 -5.21 -7.23 -0.52 -1.57 120.40 105.88 2kuq s VAL 26 Ca 0.49 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 2kuq s VAL 26 Cb -0.39 -1.32 0.05 0.00 0.56 0.00 0.00 36.38 35.28 2kuq s VAL 26 CO 0.51 -0.59 0.31 -0.90 -0.31 0.00 0.00 175.10 174.12 2kuq n ASP 27 N 0.57 0.14 0.25 4.85 5.75 -1.21 -4.62 116.55 122.28 2kuq n ASP 27 Ca -0.16 -1.19 0.09 0.00 -0.01 0.00 0.00 54.79 53.53 2kuq n ASP 27 Cb 0.58 -0.23 0.66 0.00 -1.03 0.00 0.00 41.12 41.10 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kuq h ASP 28 N -0.34 0.00 -0.00 -1.12 3.58 -1.97 -2.05 116.42 114.52 2kuq h ASP 28 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2kuq h ASP 28 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2kuq h ASP 28 CO 0.08 0.10 -0.02 -0.62 -2.88 0.00 0.00 179.24 175.90 2kuq n GLU 29 N -4.10 1.71 -1.02 0.28 -0.58 -1.26 -4.97 120.64 110.71 2kuq n GLU 29 Ca -0.02 -1.09 -0.01 0.00 -0.42 0.00 0.00 57.16 55.62 2kuq n GLU 29 Cb 0.19 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kuq n GLY 30 N 1.22 0.43 3.71 0.62 0.00 -0.77 -5.03 105.19 105.37 2kuq n GLY 30 Ca 0.18 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.02 4.41 -0.16 1.61 1.01 -1.26 -4.82 120.40 119.16 2kuq s VAL 31 Ca 0.00 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 2kuq s VAL 31 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2kuq s VAL 31 CO 0.00 0.15 1.85 -1.61 0.00 0.00 0.00 175.10 175.49 2kuq s GLU 32 N 0.89 3.70 -0.20 2.72 2.02 -1.26 -3.33 118.70 123.25 2kuq s GLU 32 Ca 0.55 1.96 -0.15 0.00 0.02 0.00 0.00 54.97 57.35 2kuq s GLU 32 Cb -0.26 -4.15 -0.09 0.00 0.10 0.00 0.00 34.13 29.74 2kuq s GLU 32 CO 0.29 -1.43 -0.22 1.28 0.02 0.00 0.00 175.26 175.20 2kuq n LEU 33 N 9.07 1.90 -3.69 1.80 4.77 -0.61 -5.03 117.00 125.21 2kuq n LEU 33 Ca 0.22 0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 56.51 2kuq n LEU 33 Cb 0.44 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 2kuq n LEU 33 CO 0.66 -0.03 0.15 -0.83 -1.33 0.00 0.00 177.39 176.01 2kuq s GLY 34 N -4.89 -0.39 0.40 -0.72 0.00 -1.24 -4.82 107.32 95.66 2kuq s GLY 34 Ca -0.28 1.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.87 2kuq s GLY 34 CO 0.42 1.59 0.88 -1.35 0.00 0.00 0.00 173.10 174.64 2kuq s SER 35 N 0.96 6.83 0.26 1.64 1.04 -1.26 -1.31 113.70 121.86 2kuq s SER 35 Ca -0.06 1.52 -0.15 0.00 0.48 0.00 0.00 55.95 57.74 2kuq s SER 35 Cb -0.06 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.65 2kuq s SER 35 CO -0.08 -0.34 0.77 0.61 0.98 0.00 0.00 173.24 175.18 2kuq n GLY 36 N -0.70 0.94 2.91 7.32 0.00 -0.03 -4.46 105.19 111.18 2kuq n GLY 36 Ca 0.06 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.19 1.33 0.22 1.61 1.01 0.13 -1.47 120.40 121.05 2kuq s VAL 37 Ca 0.16 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 2kuq s VAL 37 Cb -0.03 -1.58 -0.08 0.00 0.00 0.00 0.00 36.38 34.68 2kuq s VAL 37 CO 0.08 -0.02 1.01 -0.32 0.00 0.00 0.00 175.10 175.84 2kuq s MET 38 N 1.50 4.74 -0.03 2.72 1.75 0.10 -0.97 119.30 129.11 2kuq s MET 38 Ca -0.03 1.60 0.00 0.00 -1.25 0.00 0.00 55.69 56.01 2kuq s MET 38 Cb -0.17 -3.27 0.03 0.00 2.84 0.00 0.00 34.83 34.25 2kuq s MET 38 CO -0.07 0.33 -0.01 -2.00 -0.65 0.00 0.00 175.02 172.62 2kuq s GLU 39 N -0.94 0.39 -0.21 4.11 2.12 0.32 -0.39 118.70 124.09 2kuq s GLU 39 Ca 0.44 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.81 2kuq s GLU 39 Cb -0.28 -0.55 0.01 0.00 0.26 0.00 0.00 34.13 33.58 2kuq s GLU 39 CO 0.34 -0.13 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.32 2kuq s LEU 40 N 1.03 2.72 0.50 2.70 1.02 -1.15 -0.13 118.68 125.36 2kuq s LEU 40 Ca -0.10 -0.61 0.07 0.00 0.02 0.00 0.00 54.13 53.51 2kuq s LEU 40 Cb -0.14 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.46 2kuq s LEU 40 CO -0.01 -0.04 0.43 0.42 0.02 0.00 0.00 176.35 177.16 2kuq s THR 41 N 1.37 2.05 -2.00 5.49 -4.23 -0.96 -4.94 115.64 112.42 2kuq s THR 41 Ca 0.04 -1.40 0.25 0.00 -1.18 0.00 0.00 61.69 59.40 2kuq s THR 41 Cb -0.14 -2.45 0.70 0.00 1.34 0.00 0.00 72.50 71.94 2kuq s THR 41 CO -0.07 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.84 2kuq n GLN 42 N -1.73 0.78 -0.05 3.99 6.02 -1.26 -4.00 117.38 121.13 2kuq n GLN 42 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 2kuq n GLN 42 Cb 0.63 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.35 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 -0.99 2.31 -3.85 1.08 7.64 -1.26 -4.66 113.62 113.88 2kuq n SER 43 Ca 0.18 0.01 -0.07 0.00 1.01 0.00 0.00 58.87 60.01 2kuq n SER 43 Cb 0.08 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.20 1.75 0.10 1.43 1.03 -1.26 -4.54 118.70 115.01 2kuq s GLU 44 Ca -0.14 -0.97 -0.29 0.00 0.03 0.00 0.00 54.97 53.60 2kuq s GLU 44 Cb 0.04 0.60 -0.06 0.00 -0.80 0.00 0.00 34.13 33.91 2kuq s GLU 44 CO 0.22 -0.80 0.91 -1.17 -1.33 0.00 0.00 175.26 173.09 2kuq s LEU 45 N -2.92 4.49 0.07 1.83 0.20 -0.45 -2.28 118.68 119.61 2kuq s LEU 45 Ca 0.11 1.71 0.07 0.00 0.69 0.00 0.00 54.13 56.71 2kuq s LEU 45 Cb -0.06 -3.50 -0.03 0.00 -0.43 0.00 0.00 46.19 42.18 2kuq s LEU 45 CO 0.07 -0.04 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.20 2kuq s VAL 46 N -0.03 1.53 -0.11 1.68 1.01 0.81 -0.95 120.40 124.35 2kuq s VAL 46 Ca 0.45 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2kuq s VAL 46 Cb -0.23 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 34.82 2kuq s VAL 46 CO 0.28 0.04 0.01 -0.22 0.00 0.00 0.00 175.10 175.21 2kuq s LEU 47 N -1.47 0.73 -0.10 3.92 0.20 0.03 -0.53 118.68 121.47 2kuq s LEU 47 Ca 0.05 -0.30 -0.18 0.00 0.69 0.00 0.00 54.13 54.40 2kuq s LEU 47 Cb -0.09 -0.48 -0.05 0.00 -0.43 0.00 0.00 46.19 45.15 2kuq s LEU 47 CO 0.03 -0.23 0.47 -1.00 -0.29 0.00 0.00 176.35 175.33 2kuq s HIS 48 N 1.95 3.55 0.05 5.38 3.76 -0.14 -0.90 115.29 128.94 2kuq s HIS 48 Ca 0.03 0.91 0.08 0.00 -0.15 0.00 0.00 55.06 55.94 2kuq s HIS 48 Cb -0.14 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 2kuq s HIS 48 CO -0.06 0.25 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.35 2kuq s LEU 49 N 0.33 2.18 -0.03 0.89 1.43 -1.26 -0.69 118.68 121.53 2kuq s LEU 49 Ca 0.26 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 2kuq s LEU 49 Cb -0.15 -1.03 -0.06 0.00 0.03 0.00 0.00 46.19 44.97 2kuq s LEU 49 CO 0.11 0.17 1.66 -1.00 0.23 0.00 0.00 176.35 177.52 2kuq s HIS 50 N -0.84 2.02 -1.20 0.29 3.76 -1.26 -3.23 115.29 114.83 2kuq s HIS 50 Ca 0.08 0.19 -0.12 0.00 -0.15 0.00 0.00 55.06 55.07 2kuq s HIS 50 Cb -0.09 -3.93 -0.01 0.00 1.11 0.00 0.00 32.58 29.65 2kuq s HIS 50 CO 0.02 -3.90 0.74 -2.13 -0.85 0.00 0.00 174.74 168.62 2kuq n ARG 51 N 6.91 -2.47 -3.61 1.40 3.00 -1.26 -4.97 116.66 115.65 2kuq n ARG 51 Ca 0.17 0.54 -0.10 0.00 -0.00 0.00 0.00 57.85 58.46 2kuq n ARG 51 Cb 0.42 -4.64 -0.03 0.00 0.00 0.00 0.00 32.46 28.22 2kuq n ARG 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2kuq s ARG 52 N -5.84 1.40 0.57 -0.14 1.81 -1.20 -5.01 118.95 110.53 2kuq s ARG 52 Ca 0.30 -0.70 -0.18 0.00 -1.72 0.00 0.00 55.73 53.43 2kuq s ARG 52 Cb -0.10 0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 34.93 2kuq s ARG 52 CO 0.84 -0.61 1.11 -1.21 -0.68 0.00 0.00 175.30 174.75 2kuq s GLU 53 N -3.82 3.25 0.12 3.54 0.41 -1.26 -4.68 118.70 116.26 2kuq s GLU 53 Ca 0.05 1.50 -0.28 0.00 -0.41 0.00 0.00 54.97 55.84 2kuq s GLU 53 Cb -0.02 -2.00 -0.07 0.00 -1.78 0.00 0.00 34.13 30.26 2kuq s GLU 53 CO -0.06 -0.91 0.87 0.00 -0.49 0.00 0.00 175.26 174.67 2kuq s ALA 54 N -1.98 3.33 -0.22 5.21 0.00 -1.26 -4.40 121.76 122.45 2kuq s ALA 54 Ca 0.70 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 2kuq s ALA 54 Cb -0.22 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2kuq s ALA 54 CO 0.31 0.10 0.04 0.08 0.00 0.00 0.00 175.76 176.28 2kuq s VAL 55 N -0.41 4.22 -0.11 0.00 1.01 -0.08 -4.92 120.40 120.11 2kuq s VAL 55 Ca 0.42 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 2kuq s VAL 55 Cb -0.23 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2kuq s VAL 55 CO 0.28 0.39 0.07 -0.13 0.00 0.00 0.00 175.10 175.71 2kuq s ARG 56 N 1.17 3.30 -0.17 2.72 0.52 -1.26 -0.79 118.95 124.45 2kuq s ARG 56 Ca 0.04 -0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 54.96 2kuq s ARG 56 Cb -0.14 -3.01 0.05 0.00 0.52 0.00 0.00 34.95 32.36 2kuq s ARG 56 CO 0.02 0.68 -0.03 -1.58 0.02 0.00 0.00 175.30 174.42 2kuq s TRP 57 N -0.79 1.56 0.23 -0.53 0.51 -0.12 -4.54 118.94 115.26 2kuq s TRP 57 Ca 0.13 -1.04 -0.30 0.00 -2.12 0.00 0.00 56.10 52.77 2kuq s TRP 57 Cb -0.12 -1.24 -0.10 0.00 -0.81 0.00 0.00 33.47 31.20 2kuq s TRP 57 CO 0.03 -0.61 1.40 -1.25 -0.51 0.00 0.00 176.95 176.01 2kuq s PRO 58 N 1.68 4.30 0.44 4.98 0.04 -1.26 -1.34 135.00 143.84 2kuq s PRO 58 Ca 0.00 2.23 0.13 0.00 0.04 0.00 0.00 61.00 63.40 2kuq s PRO 58 Cb -0.16 -3.13 1.03 0.00 0.04 0.00 0.00 34.50 32.28 2kuq s PRO 58 CO -0.07 -0.37 2.02 1.88 0.04 0.00 0.00 177.00 180.50 2kuq h TYR 59 N 5.13 0.38 0.00 0.56 0.05 -1.94 -1.00 116.97 120.15 2kuq h TYR 59 Ca -0.46 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 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 0.61 0.21 0.00 1.37 -1.05 0.00 0.00 178.16 179.29 2kuq h LEU 60 N 0.38 0.00 -0.90 3.88 8.10 -1.94 -2.45 115.31 122.39 2kuq h LEU 60 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.20 2kuq h LEU 60 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2kuq h LEU 60 CO -0.05 0.00 -0.19 0.00 -4.11 0.00 0.00 178.44 174.09 2kuq s LEU 62 N -2.29 4.10 0.13 0.00 1.43 -0.93 -1.24 118.68 119.89 2kuq s LEU 62 Ca 0.28 1.42 -0.08 0.00 -1.03 0.00 0.00 54.13 54.72 2kuq s LEU 62 Cb 0.20 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.79 2kuq s LEU 62 CO 0.45 -0.72 1.34 0.03 0.23 0.00 0.00 176.35 177.67 2kuq h ARG 63 N 7.73 0.63 -1.75 1.70 -0.00 -1.62 -3.45 114.38 117.63 2kuq h ARG 63 Ca -0.21 -0.54 0.18 0.00 -0.50 0.00 0.00 59.98 58.91 2kuq h ARG 63 Cb 1.07 0.12 -0.18 0.00 0.00 0.00 0.00 29.97 30.98 2kuq h ARG 63 CO 0.98 1.16 0.68 -0.98 0.00 0.00 0.00 179.97 181.81 2kuq s ARG 64 N -3.63 0.51 0.04 0.04 1.70 -1.26 -4.67 118.95 111.69 2kuq s ARG 64 Ca -0.08 -0.14 -0.21 0.00 -0.47 0.00 0.00 55.73 54.82 2kuq s ARG 64 Cb 0.09 0.24 0.05 0.00 -0.57 0.00 0.00 34.95 34.75 2kuq s ARG 64 CO 0.88 -0.21 0.50 1.52 -1.08 0.00 0.00 175.30 176.91 2kuq s TYR 65 N -2.45 -0.39 0.28 5.89 -0.85 -0.94 -1.30 117.35 117.60 2kuq s TYR 65 Ca 0.06 0.42 -0.17 0.00 -0.52 0.00 0.00 57.07 56.86 2kuq s TYR 65 Cb -0.01 0.31 0.02 0.00 0.38 0.00 0.00 41.96 42.66 2kuq s TYR 65 CO -0.06 -0.63 0.65 0.20 -1.52 0.00 0.00 175.55 174.19 2kuq s GLY 66 N -1.97 0.20 -0.17 5.49 0.00 0.00 -0.89 107.32 109.98 2kuq s GLY 66 Ca -0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 43.99 2kuq s GLY 66 CO -0.02 -0.31 0.43 -2.52 0.00 0.00 0.00 173.10 170.69 2kuq s TYR 67 N -3.76 -0.59 0.21 1.90 1.13 -1.26 -1.79 117.35 113.19 2kuq s TYR 67 Ca 0.16 1.30 0.00 0.00 -1.41 0.00 0.00 57.07 57.12 2kuq s TYR 67 Cb -0.04 0.26 0.00 0.00 -1.10 0.00 0.00 41.96 41.08 2kuq s TYR 67 CO 0.09 -0.32 0.02 -3.47 -2.51 0.00 0.00 175.55 169.35 2kuq n ASP 68 N 3.90 2.46 -4.56 -0.18 -0.08 0.42 -4.57 116.55 113.95 2kuq n ASP 68 Ca -0.21 -1.89 -0.46 0.00 -1.51 0.00 0.00 54.79 50.72 2kuq n ASP 68 Cb 0.56 0.12 -0.05 0.00 2.34 0.00 0.00 41.12 44.10 2kuq n ASP 68 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kuq n SER 69 N -1.23 2.92 -3.44 1.67 7.64 -1.26 -2.13 113.62 117.79 2kuq n SER 69 Ca -0.08 0.37 -0.23 0.00 1.01 0.00 0.00 58.87 59.94 2kuq n SER 69 Cb 0.26 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.01 2kuq n SER 69 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2kuq n ASN 70 N 10.48 -3.06 -3.81 6.43 6.94 -1.26 -4.97 115.26 126.02 2kuq n ASN 70 Ca 0.33 -0.41 -0.13 0.00 -0.02 0.00 0.00 54.58 54.35 2kuq n ASN 70 Cb 0.36 -2.57 -0.13 0.00 -2.36 0.00 0.00 39.78 35.08 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 -6.42 1.30 -0.06 -4.53 2.96 -0.91 -0.96 118.68 110.07 2kuq s LEU 71 Ca 0.42 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2kuq s LEU 71 Cb -0.23 0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.83 2kuq s LEU 71 CO 0.51 -0.07 -0.16 0.12 -1.32 0.00 0.00 176.35 175.43 2kuq s PHE 72 N 0.42 1.72 -0.01 5.38 5.36 -0.02 -0.44 117.98 130.40 2kuq s PHE 72 Ca -0.03 -0.60 -0.12 0.00 -0.96 0.00 0.00 56.93 55.22 2kuq s PHE 72 Cb -0.04 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.45 2kuq s PHE 72 CO -0.02 -0.26 0.25 0.45 -1.46 0.00 0.00 175.22 174.18 2kuq s SER 73 N 0.39 -0.11 0.06 6.13 0.15 -0.74 -0.98 113.70 118.60 2kuq s SER 73 Ca -0.12 -0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.35 2kuq s SER 73 Cb -0.15 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 2kuq s SER 73 CO 0.04 -0.42 0.39 0.72 1.20 0.00 0.00 173.24 175.17 2kuq s PHE 74 N -1.34 -0.22 -0.25 3.44 -0.12 -0.86 -0.82 117.98 117.81 2kuq s PHE 74 Ca -0.14 0.10 -0.07 0.00 -0.05 0.00 0.00 56.93 56.78 2kuq s PHE 74 Cb -0.06 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 2kuq s PHE 74 CO 0.03 -0.59 0.06 -2.00 -0.05 0.00 0.00 175.22 172.68 2kuq s GLU 75 N -2.78 3.56 0.20 1.99 2.56 -0.42 -1.57 118.70 122.25 2kuq s GLU 75 Ca -0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 54.97 54.33 2kuq s GLU 75 Cb -0.00 -3.30 -0.06 0.00 2.00 0.00 0.00 34.13 32.77 2kuq s GLU 75 CO -0.05 -0.22 0.48 -1.54 -0.56 0.00 0.00 175.26 173.37 2kuq s SER 76 N 1.59 6.55 0.53 -1.70 1.04 -0.77 -1.62 113.70 119.31 2kuq s SER 76 Ca 0.06 0.76 -0.10 0.00 0.48 0.00 0.00 55.95 57.14 2kuq s SER 76 Cb -0.15 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 2kuq s SER 76 CO 0.03 -0.04 0.92 -0.83 0.98 0.00 0.00 173.24 174.30 2kuq s GLY 77 N -2.50 1.73 0.02 7.32 0.00 -0.37 -3.29 107.32 110.23 2kuq s GLY 77 Ca 0.44 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.03 2kuq s GLY 77 CO 0.24 0.06 1.09 -0.96 0.00 0.00 0.00 173.10 173.53 2kuq n ARG 78 N -2.19 0.01 -0.16 2.90 0.00 -1.26 -2.13 116.66 113.82 2kuq n ARG 78 Ca 0.04 0.48 0.09 0.00 -0.00 0.00 0.00 57.85 58.46 2kuq n ARG 78 Cb 0.54 -1.53 0.17 0.00 -0.00 0.00 0.00 32.46 31.65 2kuq n ARG 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kuq n ARG 79 N -1.54 2.24 -0.95 2.89 5.12 -1.26 -4.46 116.66 118.69 2kuq n ARG 79 Ca 0.00 -2.04 -0.29 0.00 -1.93 0.00 0.00 57.85 53.60 2kuq n ARG 79 Cb 0.02 -1.40 0.20 0.00 -1.16 0.00 0.00 32.46 30.13 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 -2.16 0.05 0.00 0.00 4.20 -1.91 -2.52 115.11 112.77 2kuq h GLN 81 Ca -0.57 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.13 2kuq h GLN 81 Cb 1.33 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2kuq h GLN 81 CO 0.55 0.11 -1.09 0.25 -0.67 0.00 0.00 178.83 177.98 2kuq n THR 82 N -4.45 0.52 -3.47 -0.54 -2.24 -1.26 -5.10 114.28 97.74 2kuq n THR 82 Ca -0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2kuq n THR 82 Cb 0.15 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.21 -1.22 3.72 3.38 0.00 -0.95 -4.89 105.19 106.44 2kuq n GLY 83 Ca -0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 4.53 0.00 1.61 0.74 -1.23 -4.31 119.66 121.00 2kuq s GLN 84 Ca 0.00 1.19 0.00 0.00 0.05 0.00 0.00 55.36 56.60 2kuq s GLN 84 Cb 0.00 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.69 2kuq s GLN 84 CO 0.00 0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.24 2kuq n GLY 85 N 2.77 1.42 3.65 2.59 0.00 -1.21 -4.98 105.19 109.43 2kuq n GLY 85 Ca 0.02 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 2kuq n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kuq s ILE 86 N -2.00 4.97 0.01 -0.61 1.09 -1.24 -1.84 121.20 121.58 2kuq s ILE 86 Ca 0.00 1.27 0.01 0.00 -1.10 0.00 0.00 60.65 60.83 2kuq s ILE 86 Cb 0.00 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 2kuq s ILE 86 CO 0.00 0.06 0.03 -0.36 -0.10 0.00 0.00 174.94 174.57 2kuq s PHE 87 N 2.18 3.14 -0.08 3.97 0.08 -0.61 -0.76 117.98 125.90 2kuq s PHE 87 Ca 0.30 0.11 -0.05 0.00 0.12 0.00 0.00 56.93 57.40 2kuq s PHE 87 Cb -0.16 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 2kuq s PHE 87 CO 0.10 0.49 0.19 0.00 -0.10 0.00 0.00 175.22 175.90 2kuq s ALA 88 N -1.16 -0.44 -0.01 5.36 0.00 -1.26 -2.03 121.76 122.22 2kuq s ALA 88 Ca 0.22 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.86 2kuq s ALA 88 Cb -0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 2kuq s ALA 88 CO 0.13 -0.12 -0.08 -0.06 0.00 0.00 0.00 175.76 175.63 2kuq s PHE 89 N 0.56 0.73 -0.25 0.00 0.40 -0.15 -1.44 117.98 117.82 2kuq s PHE 89 Ca -0.04 -0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 56.02 2kuq s PHE 89 Cb -0.05 -0.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 2kuq s PHE 89 CO -0.03 -0.03 0.26 0.21 0.70 0.00 0.00 175.22 176.33 2kuq s LYS 90 N -0.07 4.05 -0.29 0.44 2.20 0.20 -0.84 119.74 125.42 2kuq s LYS 90 Ca 0.01 -0.12 -0.16 0.00 -0.36 0.00 0.00 55.97 55.35 2kuq s LYS 90 Cb -0.04 -3.59 0.17 0.00 -1.51 0.00 0.00 37.83 32.85 2kuq s LYS 90 CO -0.00 -0.09 1.06 0.00 -0.36 0.00 0.00 175.35 175.96 2kuq h SER 92 N 5.86 0.09 0.00 0.00 0.87 -1.91 -2.68 113.55 115.79 2kuq h SER 92 Ca -0.27 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2kuq h SER 92 Cb 1.18 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kuq h SER 92 CO 0.20 0.25 0.00 -2.11 -0.53 0.00 0.00 176.83 174.64 2kuq n ARG 93 N -4.31 0.90 -0.31 2.24 1.85 -1.26 -4.37 116.66 111.39 2kuq n ARG 93 Ca -0.02 0.00 0.21 0.00 -1.00 0.00 0.00 57.85 57.04 2kuq n ARG 93 Cb 0.25 -1.00 0.49 0.00 -1.05 0.00 0.00 32.46 31.14 2kuq n ARG 93 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kuq h ALA 94 N 2.79 2.16 -0.82 2.89 0.00 -1.80 -0.86 119.26 123.63 2kuq h ALA 94 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kuq h ALA 94 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kuq h ALA 94 CO 0.00 -0.55 0.54 1.49 0.00 0.00 0.00 179.25 180.73 2kuq h GLU 95 N 0.44 1.05 -0.11 0.00 4.81 -1.88 -1.66 114.58 117.23 2kuq h GLU 95 Ca 0.58 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.58 2kuq h GLU 95 Cb 1.39 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2kuq h GLU 95 CO -0.29 0.69 -0.61 0.93 -0.73 0.00 0.00 179.01 179.01 2kuq h GLU 96 N 1.08 0.39 -0.18 1.92 5.08 -1.50 -1.63 114.58 119.74 2kuq h GLU 96 Ca 0.31 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2kuq h GLU 96 Cb -0.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2kuq h GLU 96 CO -0.08 0.88 0.06 0.82 -1.00 0.00 0.00 179.01 179.68 2kuq h ILE 97 N 0.29 1.18 -0.70 3.13 2.04 -1.30 -1.98 117.51 120.17 2kuq h ILE 97 Ca -0.01 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 2kuq h ILE 97 Cb 1.14 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2kuq h ILE 97 CO 0.10 0.17 0.24 0.15 0.00 0.00 0.00 178.15 178.81 2kuq h PHE 98 N 0.12 1.10 -0.23 1.37 3.57 -1.18 -0.21 116.94 121.47 2kuq h PHE 98 Ca 0.06 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2kuq h PHE 98 Cb 0.21 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2kuq h PHE 98 CO -0.00 0.87 0.07 -0.91 -2.23 0.00 0.00 178.31 176.10 2kuq h ASN 99 N 1.01 0.34 -0.87 0.41 2.35 -1.31 -2.74 115.58 114.78 2kuq h ASN 99 Ca 0.23 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2kuq h ASN 99 Cb 0.27 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2kuq h ASN 99 CO -0.01 0.47 0.43 0.25 -1.65 0.00 0.00 177.43 176.91 2kuq h LEU 100 N 0.20 1.12 -0.20 1.61 5.85 -1.14 -1.36 115.31 121.39 2kuq h LEU 100 Ca 0.07 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2kuq h LEU 100 Cb 0.25 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2kuq h LEU 100 CO -0.00 0.94 0.05 0.25 -0.34 0.00 0.00 178.44 179.34 2kuq h LEU 101 N 1.23 0.05 -0.74 2.25 5.85 -0.99 -1.00 115.31 121.96 2kuq h LEU 101 Ca 0.30 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.91 2kuq h LEU 101 Cb 0.10 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2kuq h LEU 101 CO -0.04 0.05 -0.60 0.06 -0.34 0.00 0.00 178.44 177.57 2kuq h GLN 102 N 0.14 0.10 -0.57 1.25 3.07 -1.33 -2.86 115.11 114.92 2kuq h GLN 102 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 58.65 58.67 2kuq h GLN 102 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 2kuq h GLN 102 CO -0.10 0.67 0.01 -0.44 0.09 0.00 0.00 178.83 179.06 2kuq h ASP 103 N 0.08 0.95 1.14 0.06 3.32 -0.96 -0.85 116.42 120.16 2kuq h ASP 103 Ca -0.01 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 2kuq h ASP 103 Cb 1.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 2kuq h ASP 103 CO 0.08 1.00 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.34 2kuq h LEU 104 N 0.90 0.00 0.02 1.55 3.38 -1.15 -0.97 115.31 119.05 2kuq h LEU 104 Ca 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2kuq h LEU 104 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2kuq h LEU 104 CO 0.03 0.19 -0.27 0.24 0.09 0.00 0.00 178.44 178.72 2kuq h MET 105 N 0.00 0.15 0.00 1.13 2.86 -1.28 -3.15 114.93 114.63 2kuq h MET 105 Ca -0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2kuq h MET 105 Cb 0.82 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.53 2kuq h MET 105 CO 0.03 0.98 -0.17 0.00 1.06 0.00 0.00 176.91 178.80 2kuq n GLN 106 N -4.48 0.23 -2.01 1.72 10.64 -0.34 -3.84 117.38 119.30 2kuq n GLN 106 Ca -0.10 0.15 -0.06 0.00 -1.83 0.00 0.00 57.00 55.16 2kuq n GLN 106 Cb 0.54 -1.73 0.06 0.00 -0.86 0.00 0.00 30.24 28.25 2kuq n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kuq n ASN 108 N -0.53 2.87 -3.52 0.00 2.85 -1.19 -4.86 115.26 110.87 2kuq n ASN 108 Ca 0.21 1.10 -0.12 0.00 -0.11 0.00 0.00 54.58 55.66 2kuq n ASN 108 Cb 0.90 -1.55 -0.03 0.00 1.24 0.00 0.00 39.78 40.33 2kuq n ASN 108 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2kuq s SER 109 N -0.54 -0.44 -0.26 1.20 0.15 -1.26 -5.11 113.70 107.44 2kuq s SER 109 Ca 0.62 -0.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 2kuq s SER 109 Cb -0.47 0.54 0.08 0.00 -1.71 0.00 0.00 66.02 64.46 2kuq s SER 109 CO 0.57 -0.88 0.08 -0.63 1.20 0.00 0.00 173.24 173.57 2kuq s ILE 110 N -3.51 0.52 -0.29 6.45 1.01 -1.26 -4.90 121.20 119.22 2kuq s ILE 110 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 2kuq s ILE 110 Cb 0.00 -1.25 0.14 0.00 0.01 0.00 0.00 42.46 41.36 2kuq s ILE 110 CO -0.10 -0.49 0.93 0.21 0.00 0.00 0.00 174.94 175.48 2kuq s ASN 111 N 1.83 -0.59 -0.45 3.58 2.47 -1.26 -5.14 114.94 115.38 2kuq s ASN 111 Ca 0.05 0.93 -0.29 0.00 0.42 0.00 0.00 52.86 53.98 2kuq s ASN 111 Cb -0.17 1.27 0.03 0.00 -1.45 0.00 0.00 41.25 40.92 2kuq s ASN 111 CO -0.20 -0.15 1.17 -0.69 -3.72 0.00 0.00 177.10 173.51 2kuq s VAL 112 N 1.45 4.21 -0.08 -5.21 1.01 -1.26 -4.99 120.40 115.52 2kuq s VAL 112 Ca -0.09 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 63.06 2kuq s VAL 112 Cb -0.04 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.84 2kuq s VAL 112 CO -0.16 -0.90 0.24 -0.04 0.00 0.00 0.00 175.10 174.23 2kuq s MET 113 N 4.40 0.29 0.47 2.72 -1.94 -1.26 -5.18 119.30 118.81 2kuq s MET 113 Ca 0.49 0.30 -0.02 0.00 -1.71 0.00 0.00 55.69 54.75 2kuq s MET 113 Cb -0.09 0.14 -0.01 0.00 2.01 0.00 0.00 34.83 36.89 2kuq s MET 113 CO 0.30 -0.04 0.72 -1.83 -0.01 0.00 0.00 175.02 174.16 2kuq s GLU 114 N 0.04 3.13 0.04 2.03 1.03 -1.26 -5.14 118.70 118.58 2kuq s GLU 114 Ca -0.01 -0.29 -0.18 0.00 0.03 0.00 0.00 54.97 54.52 2kuq s GLU 114 Cb -0.02 -2.49 0.04 0.00 -0.80 0.00 0.00 34.13 30.86 2kuq s GLU 114 CO 0.00 -0.32 0.41 -1.83 -1.33 0.00 0.00 175.26 172.20 2kuq s GLU 115 N -4.65 0.92 0.68 -4.83 -1.05 -1.26 -5.18 118.70 103.33 2kuq s GLU 115 Ca 0.49 -0.36 -0.11 0.00 -0.15 0.00 0.00 54.97 54.83 2kuq s GLU 115 Cb -0.10 0.41 -0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2kuq s GLU 115 CO 0.40 -0.31 1.05 -1.25 0.95 0.00 0.00 175.26 176.10 2kuq s PRO 116 N -2.47 3.08 -0.04 -4.83 0.04 -1.26 -5.09 135.00 124.42 2kuq s PRO 116 Ca -0.05 0.92 0.01 0.00 0.04 0.00 0.00 61.00 61.92 2kuq s PRO 116 Cb -0.01 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2kuq s PRO 116 CO -0.02 -0.99 -0.05 0.08 0.04 0.00 0.00 177.00 176.05 2kuq s VAL 117 N -3.07 0.59 -0.19 -0.36 1.01 -1.26 -5.14 120.40 111.99 2kuq s VAL 117 Ca 0.57 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 2kuq s VAL 117 Cb -0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 2kuq s VAL 117 CO 0.55 0.23 -0.09 -0.63 0.00 0.00 0.00 175.10 175.15 2kuq s ILE 118 N 0.77 3.09 -0.95 2.22 1.09 -1.26 -4.47 121.20 121.68 2kuq s ILE 118 Ca -0.11 -0.61 -0.02 0.00 -1.10 0.00 0.00 60.65 58.81 2kuq s ILE 118 Cb -0.14 -2.36 0.27 0.00 -1.06 0.00 0.00 42.46 39.17 2kuq s ILE 118 CO 0.01 0.47 1.10 -0.38 -0.10 0.00 0.00 174.94 176.04 2kuq n ILE 119 N 4.42 4.03 -0.52 2.92 5.41 -1.26 -4.93 119.36 129.42 2kuq n ILE 119 Ca -0.19 -5.50 -0.03 0.00 1.00 0.00 0.00 62.75 58.03 2kuq n ILE 119 Cb 0.51 -2.23 -0.04 0.00 -0.71 0.00 0.00 39.64 37.16 2kuq n ILE 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2kuq n THR 120 N 1.67 1.83 0.26 1.39 -1.04 -1.26 -4.61 114.28 112.53 2kuq n THR 120 Ca 0.25 -0.66 0.15 0.00 -2.04 0.00 0.00 64.05 61.76 2kuq n THR 120 Cb 0.37 -1.56 0.58 0.00 -1.82 0.00 0.00 70.33 67.89 2kuq n THR 120 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2kuq h SER 121 N 2.31 0.00 0.00 8.00 0.87 -1.91 -3.44 113.55 119.38 2kuq h SER 121 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2kuq h SER 121 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2kuq h SER 121 CO 0.10 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.06 2kuq n GLY 122 N 0.18 2.87 3.76 5.77 0.00 -1.26 -4.54 105.19 111.97 2kuq n GLY 122 Ca 0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2kuq n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 123 N -4.00 7.34 0.02 1.61 1.04 -1.26 -5.08 113.70 113.37 2kuq s SER 123 Ca 0.00 1.59 -0.28 0.00 0.48 0.00 0.00 55.95 57.74 2kuq s SER 123 Cb 0.00 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.70 2kuq s SER 123 CO 0.00 0.13 0.67 -0.55 0.98 0.00 0.00 173.24 174.48 2kuq s SER 124 N -0.74 -0.61 0.00 7.02 0.15 -1.26 -5.14 113.70 113.11 2kuq s SER 124 Ca 0.37 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2kuq s SER 124 Cb -0.22 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2kuq s SER 124 CO 0.25 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2kuq n GLY 125 N 0.44 0.55 1.99 9.45 0.00 -1.26 -5.16 105.19 111.20 2kuq n GLY 125 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 2kuq n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 126 N 0.00 -1.11 -3.60 1.61 2.88 -1.26 -5.20 113.62 106.94 2kuq n SER 126 Ca 0.00 -1.72 -0.14 0.00 -1.33 0.00 0.00 58.87 55.67 2kuq n SER 126 Cb 0.00 1.85 -0.07 0.00 -0.75 0.00 0.00 64.21 65.24 2kuq n SER 126 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kuq s SER 127 N -2.15 -0.68 -0.02 -3.46 0.01 -1.26 -5.19 113.70 100.96 2kuq s SER 127 Ca 0.09 1.14 -0.17 0.00 1.31 0.00 0.00 55.95 58.33 2kuq s SER 127 Cb -0.02 1.10 0.03 0.00 0.21 0.00 0.00 66.02 67.34 2kuq s SER 127 CO 0.05 -0.34 0.36 -0.83 0.41 0.00 0.00 173.24 172.89 2kuq s GLY 128 N -0.13 -0.21 -0.06 3.44 0.00 -1.26 -5.18 107.32 103.93 2kuq s GLY 128 Ca -0.03 0.45 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 2kuq s GLY 128 CO 0.03 0.22 0.35 -0.56 0.00 0.00 0.00 173.10 173.14 2kuq s SER 129 N -1.30 -0.28 -0.25 1.64 0.01 -1.26 -5.13 113.70 107.12 2kuq s SER 129 Ca -0.13 0.36 -0.17 0.00 1.31 0.00 0.00 55.95 57.31 2kuq s SER 129 Cb -0.05 0.49 0.07 0.00 0.21 0.00 0.00 66.02 66.74 2kuq s SER 129 CO 0.05 -0.34 0.63 -0.55 0.41 0.00 0.00 173.24 173.44 2kuq s SER 130 N -0.76 -0.77 0.00 2.44 0.15 -1.26 -4.99 113.70 108.51 2kuq s SER 130 Ca -0.08 1.33 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2kuq s SER 130 Cb -0.04 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2kuq s SER 130 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2kuq n GLY 131 N 3.72 -2.60 3.56 9.45 0.00 -1.26 -4.99 105.19 113.07 2kuq n GLY 131 Ca -0.18 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2kuq n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 132 N -0.30 6.47 0.02 1.61 1.04 -1.26 -4.93 113.70 116.33 2kuq s SER 132 Ca 0.00 0.06 0.27 0.00 0.48 0.00 0.00 55.95 56.76 2kuq s SER 132 Cb 0.00 -2.40 0.93 0.00 0.10 0.00 0.00 66.02 64.65 2kuq s SER 132 CO 0.00 -0.88 1.72 -1.20 0.98 0.00 0.00 173.24 173.85 2kuq n SER 133 N 6.70 0.25 -0.05 7.02 7.64 -1.26 -5.06 113.62 128.86 2kuq n SER 133 Ca 0.03 0.23 0.01 0.00 1.01 0.00 0.00 58.87 60.15 2kuq n SER 133 Cb 0.48 -0.23 -0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 134 N 1.48 -1.42 3.57 0.23 0.00 -1.26 -4.85 105.19 102.94 2kuq n GLY 134 Ca 0.06 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.73 4.10 -0.08 0.99 1.43 -1.26 -4.80 118.68 116.33 2kuq s LEU 135 Ca 0.00 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 2kuq s LEU 135 Cb 0.00 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2kuq s LEU 135 CO 0.00 -0.09 0.96 0.12 0.23 0.00 0.00 176.35 177.58 2kuq s PHE 136 N 1.75 3.54 -0.31 0.29 2.19 -1.26 -5.03 117.98 119.14 2kuq s PHE 136 Ca 0.07 1.56 -0.19 0.00 0.33 0.00 0.00 56.93 58.70 2kuq s PHE 136 Cb -0.16 -3.13 -0.01 0.00 -1.31 0.00 0.00 43.02 38.40 2kuq s PHE 136 CO 0.11 -0.16 0.55 1.03 1.83 0.00 0.00 175.22 178.58 2kuq s ARG 137 N 1.72 3.83 0.37 10.12 3.00 -1.26 -4.53 118.95 132.19 2kuq s ARG 137 Ca 0.47 0.11 -0.25 0.00 0.00 0.00 0.00 55.73 56.07 2kuq s ARG 137 Cb -0.19 -3.74 -0.10 0.00 0.00 0.00 0.00 34.95 30.93 2kuq s ARG 137 CO 0.20 -0.54 0.99 -0.51 0.00 0.00 0.00 175.30 175.44 2kuq s LEU 138 N 2.44 4.21 0.43 2.53 1.43 0.06 -4.91 118.68 124.87 2kuq s LEU 138 Ca 0.21 1.90 0.24 0.00 -1.03 0.00 0.00 54.13 55.45 2kuq s LEU 138 Cb -0.15 -4.15 0.82 0.00 0.03 0.00 0.00 46.19 42.73 2kuq s LEU 138 CO 0.12 -0.28 1.78 0.03 0.23 0.00 0.00 176.35 178.23 2kuq h ARG 139 N 2.73 0.00 -4.70 1.70 2.47 -1.98 -3.29 114.38 111.32 2kuq h ARG 139 Ca -0.48 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 57.95 2kuq h ARG 139 Cb 1.20 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.37 2kuq h ARG 139 CO 0.63 0.22 -0.60 -3.38 0.56 0.00 0.00 179.97 177.40 2kuq s HIS 140 N -3.53 1.32 -0.27 3.04 -3.43 -1.26 -5.01 115.29 106.14 2kuq s HIS 140 Ca 0.02 -1.37 -0.22 0.00 -0.80 0.00 0.00 55.06 52.69 2kuq s HIS 140 Cb 0.09 -0.66 -0.01 0.00 -1.43 0.00 0.00 32.58 30.57 2kuq s HIS 140 CO 0.64 -0.59 0.70 0.12 -2.00 0.00 0.00 174.74 173.61 2kuq s PHE 141 N -3.98 3.26 -0.60 0.38 5.36 -1.26 -4.88 117.98 116.26 2kuq s PHE 141 Ca 0.39 0.83 0.25 0.00 -0.96 0.00 0.00 56.93 57.44 2kuq s PHE 141 Cb 0.07 -2.98 0.56 0.00 -0.34 0.00 0.00 43.02 40.32 2kuq s PHE 141 CO 0.14 -0.41 1.62 -1.00 -1.46 0.00 0.00 175.22 174.11 2kuq h PRO 142 N 7.95 0.00 -6.02 10.12 0.13 -1.99 -3.46 132.00 138.74 2kuq h PRO 142 Ca -0.26 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.27 2kuq h PRO 142 Cb 1.11 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 2kuq h PRO 142 CO 0.82 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.37 2kuq n GLY 144 N 1.66 -1.40 3.54 0.00 0.00 -1.26 -4.78 105.19 102.95 2kuq n GLY 144 Ca -0.13 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2kuq n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kuq s ASN 145 N -2.85 4.77 -0.02 1.61 0.01 -1.26 -5.12 114.94 112.08 2kuq s ASN 145 Ca 0.19 -0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.28 2kuq s ASN 145 Cb 0.19 -1.54 0.01 0.00 0.41 0.00 0.00 41.25 40.33 2kuq s ASN 145 CO 0.52 0.26 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.66 2kuq s VAL 146 N -0.18 0.23 0.14 1.60 1.01 -1.26 -4.09 120.40 117.84 2kuq s VAL 146 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2kuq s VAL 146 Cb -0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2kuq s VAL 146 CO 0.02 0.11 -0.10 0.21 0.00 0.00 0.00 175.10 175.35 2kuq s ASN 147 N 0.50 1.73 0.05 3.32 2.47 -0.07 -5.00 114.94 117.93 2kuq s ASN 147 Ca -0.05 -0.98 0.08 0.00 0.42 0.00 0.00 52.86 52.33 2kuq s ASN 147 Cb -0.08 -0.01 -0.03 0.00 -1.45 0.00 0.00 41.25 39.69 2kuq s ASN 147 CO -0.01 -0.32 -0.23 -0.31 -3.72 0.00 0.00 177.10 172.52 2kuq s TYR 148 N -3.17 1.98 0.00 0.43 2.02 -1.26 -2.21 117.35 115.14 2kuq s TYR 148 Ca 0.15 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 2kuq s TYR 148 Cb 0.02 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 2kuq s TYR 148 CO 0.00 0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 2kuq n GLY 149 N 1.74 0.77 3.69 0.71 0.00 -1.26 -5.00 105.19 105.84 2kuq n GLY 149 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 2.25 -2.14 1.61 4.01 -1.26 -4.88 117.16 116.75 2kuq n TYR 150 Ca 0.00 0.55 -0.40 0.00 -0.16 0.00 0.00 57.90 57.90 2kuq n TYR 150 Cb 0.00 -2.41 -0.03 0.00 -0.31 0.00 0.00 39.34 36.59 2kuq n TYR 150 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2kuq s GLN 151 N -1.82 2.87 -0.43 -0.72 -0.44 -1.26 -4.85 119.66 113.02 2kuq s GLN 151 Ca 0.56 0.59 0.08 0.00 -2.50 0.00 0.00 55.36 54.09 2kuq s GLN 151 Cb -0.57 -4.30 0.27 0.00 -1.64 0.00 0.00 33.01 26.76 2kuq s GLN 151 CO 0.62 -2.45 0.74 1.04 0.50 0.00 0.00 175.29 175.73 2kuq n GLN 152 N 9.04 0.81 0.00 1.67 1.13 -1.26 -5.32 117.38 123.45 2kuq n GLN 152 Ca 0.18 -2.65 0.10 0.00 -1.94 0.00 0.00 57.00 52.69 2kuq n GLN 152 Cb 0.51 -1.35 0.60 0.00 0.11 0.00 0.00 30.24 30.11 2kuq n GLN 152 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62