#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 -0.50 0.03 1.61 0.01 -1.26 -5.09 113.70 108.49 2kuq s SER 2 Ca 0.00 0.42 -0.27 0.00 1.31 0.00 0.00 55.95 57.41 2kuq s SER 2 Cb 0.00 0.44 0.09 0.00 0.21 0.00 0.00 66.02 66.76 2kuq s SER 2 CO 0.00 -0.56 0.76 -0.55 0.41 0.00 0.00 173.24 173.30 2kuq s SER 3 N -1.53 -0.49 -0.27 2.44 0.15 -1.26 -5.18 113.70 107.55 2kuq s SER 3 Ca -0.04 0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 2kuq s SER 3 Cb -0.00 0.48 0.15 0.00 -1.71 0.00 0.00 66.02 64.93 2kuq s SER 3 CO 0.02 -0.71 1.17 -0.83 1.20 0.00 0.00 173.24 174.08 2kuq s GLY 4 N -2.19 0.00 -0.02 9.45 0.00 -1.26 -5.08 107.32 108.22 2kuq s GLY 4 Ca -0.00 2.87 -0.30 0.00 0.00 0.00 0.00 44.72 47.30 2kuq s GLY 4 CO -0.06 1.75 1.03 -0.45 0.00 0.00 0.00 173.10 175.37 2kuq s SER 5 N -0.03 -0.23 0.28 1.64 0.15 -1.26 -5.06 113.70 109.18 2kuq s SER 5 Ca 0.04 -0.10 0.17 0.00 0.70 0.00 0.00 55.95 56.76 2kuq s SER 5 Cb -0.04 0.32 0.09 0.00 -1.71 0.00 0.00 66.02 64.68 2kuq s SER 5 CO -0.08 -0.55 1.38 0.77 1.20 0.00 0.00 173.24 175.95 2kuq h SER 6 N 2.00 0.00 -0.11 5.45 4.64 -2.07 -3.48 113.55 119.99 2kuq h SER 6 Ca -0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 2kuq h SER 6 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2kuq h SER 6 CO 0.28 0.39 -0.04 0.61 -0.87 0.00 0.00 176.83 177.19 2kuq n GLY 7 N 1.22 0.40 3.72 -0.77 0.00 -1.26 -4.96 105.19 103.54 2kuq n GLY 7 Ca 0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2kuq n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kuq s LEU 8 N -0.50 4.38 -0.03 0.99 2.96 -1.26 -5.03 118.68 120.19 2kuq s LEU 8 Ca 0.00 2.38 -0.14 0.00 -0.22 0.00 0.00 54.13 56.15 2kuq s LEU 8 Cb 0.00 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.12 2kuq s LEU 8 CO 0.00 -0.65 0.31 0.20 -1.32 0.00 0.00 176.35 174.89 2kuq s ASN 9 N 0.95 -0.20 -0.41 3.68 0.01 -1.26 -5.14 114.94 112.56 2kuq s ASN 9 Ca 0.64 0.15 -0.24 0.00 -0.71 0.00 0.00 52.86 52.70 2kuq s ASN 9 Cb -0.38 0.36 0.02 0.00 0.41 0.00 0.00 41.25 41.66 2kuq s ASN 9 CO 0.32 -0.40 0.81 -0.60 -1.51 0.00 0.00 177.10 175.72 2kuq s ARG 10 N -1.13 3.58 0.04 -0.60 3.52 -1.26 -4.96 118.95 118.15 2kuq s ARG 10 Ca -0.12 0.13 -0.21 0.00 -0.13 0.00 0.00 55.73 55.40 2kuq s ARG 10 Cb -0.05 -3.88 0.07 0.00 -1.56 0.00 0.00 34.95 29.53 2kuq s ARG 10 CO 0.04 -1.02 0.99 -0.40 -0.81 0.00 0.00 175.30 174.09 2kuq n ASP 11 N 6.68 -1.16 0.20 -2.12 5.68 -1.26 -5.08 116.55 119.50 2kuq n ASP 11 Ca 0.03 -1.41 0.10 0.00 -0.50 0.00 0.00 54.79 53.01 2kuq n ASP 11 Cb 0.48 1.83 0.13 0.00 -1.14 0.00 0.00 41.12 42.43 2kuq n ASP 11 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2kuq h SER 12 N 1.64 0.00 -0.21 -1.12 0.87 -2.09 -3.46 113.55 109.18 2kuq h SER 12 Ca -0.19 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.62 2kuq h SER 12 Cb 0.98 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.69 2kuq h SER 12 CO 0.27 0.12 0.43 0.54 -0.53 0.00 0.00 176.83 177.67 2kuq s VAL 13 N -3.15 -0.12 0.25 2.23 0.11 -1.26 -5.16 120.40 113.29 2kuq s VAL 13 Ca 0.06 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 2kuq s VAL 13 Cb 0.06 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.82 2kuq s VAL 13 CO 0.69 0.00 1.19 -2.16 -3.33 0.00 0.00 175.10 171.49 2kuq s PRO 14 N 2.34 4.51 0.00 1.54 0.04 -1.26 -4.93 135.00 137.24 2kuq s PRO 14 Ca -0.02 1.93 0.12 0.00 0.04 0.00 0.00 61.00 63.07 2kuq s PRO 14 Cb -0.03 -3.19 0.73 0.00 0.04 0.00 0.00 34.50 32.05 2kuq s PRO 14 CO -0.14 -0.01 1.43 -0.25 0.04 0.00 0.00 177.00 178.06 2kuq n ASP 15 N 1.73 0.00 -0.29 6.66 8.00 -1.26 -2.76 116.55 128.64 2kuq n ASP 15 Ca 0.02 -1.51 0.03 0.00 0.71 0.00 0.00 54.79 54.04 2kuq n ASP 15 Cb 0.44 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.70 2.28 -4.58 -2.24 0.23 -1.26 -5.04 115.26 103.95 2kuq n ASN 16 Ca 0.09 -1.88 -0.47 0.00 -0.53 0.00 0.00 54.58 51.80 2kuq n ASN 16 Cb 0.04 -0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.62 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2kuq n HIS 17 N 0.03 1.23 0.41 -2.53 -0.00 -1.11 -4.90 115.22 108.35 2kuq n HIS 17 Ca 0.05 0.70 0.08 0.00 0.46 0.00 0.00 57.72 59.01 2kuq n HIS 17 Cb 0.30 -2.26 0.36 0.00 -0.12 0.00 0.00 29.99 28.27 2kuq n HIS 17 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kuq n PRO 18 N 1.24 0.07 0.00 1.57 -0.04 -1.26 -4.31 135.00 132.27 2kuq n PRO 18 Ca 0.12 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2kuq n PRO 18 Cb 0.28 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2kuq n PRO 18 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kuq n THR 19 N -1.78 0.00 -2.85 0.52 5.66 -1.26 -5.03 114.28 109.53 2kuq n THR 19 Ca 0.02 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.62 2kuq n THR 19 Cb 0.17 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.91 2kuq n THR 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kuq s LYS 20 N -0.94 4.54 -0.02 1.09 2.20 -1.26 -3.36 119.74 122.00 2kuq s LYS 20 Ca 0.00 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 2kuq s LYS 20 Cb 0.00 -3.42 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 2kuq s LYS 20 CO 0.00 0.10 0.02 -0.06 -0.36 0.00 0.00 175.35 175.05 2kuq s PHE 21 N 0.54 0.04 0.09 4.03 0.08 -0.24 -4.54 117.98 117.98 2kuq s PHE 21 Ca 0.45 0.10 -0.31 0.00 0.12 0.00 0.00 56.93 57.29 2kuq s PHE 21 Cb -0.21 -0.21 -0.07 0.00 -0.57 0.00 0.00 43.02 41.97 2kuq s PHE 21 CO 0.25 -0.08 1.31 0.15 -0.10 0.00 0.00 175.22 176.75 2kuq s LYS 22 N 0.89 4.36 0.05 0.44 3.01 -1.26 -0.83 119.74 126.40 2kuq s LYS 22 Ca -0.07 1.94 -0.01 0.00 -1.01 0.00 0.00 55.97 56.82 2kuq s LYS 22 Cb -0.11 -3.30 -0.03 0.00 -1.01 0.00 0.00 37.83 33.37 2kuq s LYS 22 CO -0.02 -0.37 -0.02 0.14 0.51 0.00 0.00 175.35 175.59 2kuq s VAL 23 N 1.15 0.20 -0.05 3.17 -7.23 -0.72 -4.76 120.40 112.16 2kuq s VAL 23 Ca 0.62 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 59.14 2kuq s VAL 23 Cb -0.34 -1.31 0.03 0.00 0.56 0.00 0.00 36.38 35.33 2kuq s VAL 23 CO 0.30 -0.90 0.07 -0.89 -0.31 0.00 0.00 175.10 173.37 2kuq s THR 24 N -3.51 -0.12 0.36 5.32 2.01 -1.12 -0.91 115.64 117.67 2kuq s THR 24 Ca 0.03 0.39 -0.27 0.00 0.31 0.00 0.00 61.69 62.15 2kuq s THR 24 Cb 0.05 -0.19 -0.09 0.00 0.01 0.00 0.00 72.50 72.28 2kuq s THR 24 CO -0.09 0.15 1.23 0.21 -0.69 0.00 0.00 174.62 175.44 2kuq s ASN 25 N 2.18 6.66 0.09 3.53 3.84 -0.65 -0.65 114.94 129.94 2kuq s ASN 25 Ca 0.05 2.52 0.06 0.00 0.21 0.00 0.00 52.86 55.70 2kuq s ASN 25 Cb -0.12 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 37.91 2kuq s ASN 25 CO -0.04 -0.60 -0.16 0.68 -2.79 0.00 0.00 177.10 174.20 2kuq s VAL 26 N -1.26 1.36 0.38 -5.21 -7.23 -0.58 -1.46 120.40 106.40 2kuq s VAL 26 Ca 0.53 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 2kuq s VAL 26 Cb -0.35 -1.34 0.09 0.00 0.56 0.00 0.00 36.38 35.33 2kuq s VAL 26 CO 0.46 -0.22 0.52 -0.90 -0.31 0.00 0.00 175.10 174.64 2kuq n ASP 27 N 1.03 0.09 0.10 4.85 5.75 -1.15 -4.68 116.55 122.53 2kuq n ASP 27 Ca -0.19 -1.22 0.10 0.00 -0.01 0.00 0.00 54.79 53.48 2kuq n ASP 27 Cb 0.55 -0.39 0.45 0.00 -1.03 0.00 0.00 41.12 40.70 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2kuq n ASP 28 N -3.31 0.51 -0.68 -1.12 5.75 -1.26 -1.45 116.55 114.98 2kuq n ASP 28 Ca 0.07 0.64 0.12 0.00 -0.01 0.00 0.00 54.79 55.61 2kuq n ASP 28 Cb 0.23 -0.74 0.20 0.00 -1.03 0.00 0.00 41.12 39.78 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kuq n GLU 29 N -2.07 1.79 -1.05 0.11 -0.58 -1.26 -4.98 120.64 112.60 2kuq n GLU 29 Ca 0.02 -1.37 -0.02 0.00 -0.42 0.00 0.00 57.16 55.37 2kuq n GLU 29 Cb 0.19 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 1.32 0.53 3.71 0.62 0.00 -0.53 -4.94 105.19 105.90 2kuq n GLY 30 Ca 0.14 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.01 4.88 -0.07 1.61 1.01 -1.26 -4.78 120.40 119.78 2kuq s VAL 31 Ca 0.00 2.00 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 2kuq s VAL 31 Cb 0.00 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 2kuq s VAL 31 CO 0.00 0.15 1.92 -1.61 0.00 0.00 0.00 175.10 175.56 2kuq s GLU 32 N 1.08 3.89 -0.22 2.72 2.02 -1.26 -2.96 118.70 123.97 2kuq s GLU 32 Ca 0.50 2.29 -0.16 0.00 0.02 0.00 0.00 54.97 57.63 2kuq s GLU 32 Cb -0.20 -4.16 -0.10 0.00 0.10 0.00 0.00 34.13 29.76 2kuq s GLU 32 CO 0.26 -1.22 -0.25 1.28 0.02 0.00 0.00 175.26 175.35 2kuq n LEU 33 N 8.47 1.92 -3.62 1.80 4.77 -0.53 -5.03 117.00 124.77 2kuq n LEU 33 Ca 0.21 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.43 2kuq n LEU 33 Cb 0.43 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 2kuq n LEU 33 CO 0.66 0.16 0.42 -0.83 -1.33 0.00 0.00 177.39 176.48 2kuq s GLY 34 N -5.09 -0.54 0.43 -0.72 0.00 -1.25 -5.02 107.32 95.13 2kuq s GLY 34 Ca -0.32 2.00 -0.10 0.00 0.00 0.00 0.00 44.72 46.30 2kuq s GLY 34 CO 0.46 1.71 0.80 -1.35 0.00 0.00 0.00 173.10 174.71 2kuq s SER 35 N 0.29 6.48 0.25 1.64 1.04 -1.26 -1.64 113.70 120.49 2kuq s SER 35 Ca -0.01 1.15 -0.21 0.00 0.48 0.00 0.00 55.95 57.36 2kuq s SER 35 Cb -0.05 -2.33 0.05 0.00 0.10 0.00 0.00 66.02 63.79 2kuq s SER 35 CO 0.01 -0.46 0.86 -0.83 0.98 0.00 0.00 173.24 173.80 2kuq s GLY 36 N -3.34 -0.02 -0.27 7.32 0.00 -0.09 -4.51 107.32 106.41 2kuq s GLY 36 Ca 0.51 -0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.95 2kuq s GLY 36 CO 0.34 0.24 -0.03 0.14 0.00 0.00 0.00 173.10 173.80 2kuq s VAL 37 N -3.14 2.99 0.19 1.40 1.01 0.07 -1.76 120.40 121.17 2kuq s VAL 37 Ca 0.14 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 2kuq s VAL 37 Cb -0.04 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.66 2kuq s VAL 37 CO 0.06 0.08 0.76 -0.32 0.00 0.00 0.00 175.10 175.68 2kuq s MET 38 N 1.31 4.45 -0.11 2.72 1.75 -0.01 -1.16 119.30 128.26 2kuq s MET 38 Ca -0.02 1.06 -0.05 0.00 -1.25 0.00 0.00 55.69 55.43 2kuq s MET 38 Cb -0.18 -3.10 0.05 0.00 2.84 0.00 0.00 34.83 34.44 2kuq s MET 38 CO -0.03 0.50 0.25 -2.00 -0.65 0.00 0.00 175.02 173.09 2kuq s GLU 39 N -1.48 0.20 -0.20 4.11 2.12 0.19 -1.08 118.70 122.57 2kuq s GLU 39 Ca 0.39 0.54 0.02 0.00 0.36 0.00 0.00 54.97 56.27 2kuq s GLU 39 Cb -0.21 -0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.10 2kuq s GLU 39 CO 0.24 -0.17 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.12 2kuq s LEU 40 N 1.30 2.49 0.41 2.70 1.02 -1.21 -0.28 118.68 125.11 2kuq s LEU 40 Ca -0.09 -0.88 0.08 0.00 0.02 0.00 0.00 54.13 53.26 2kuq s LEU 40 Cb -0.10 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.63 2kuq s LEU 40 CO -0.09 -0.07 0.36 0.42 0.02 0.00 0.00 176.35 176.99 2kuq s THR 41 N 1.26 2.65 -2.00 5.49 -4.23 -0.78 -4.89 115.64 113.14 2kuq s THR 41 Ca 0.00 -1.38 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 2kuq s THR 41 Cb -0.15 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.89 2kuq s THR 41 CO -0.10 -0.01 0.89 0.00 -0.54 0.00 0.00 174.62 174.86 2kuq n GLN 42 N -1.51 0.50 0.00 3.99 6.02 -1.26 -3.49 117.38 121.63 2kuq n GLN 42 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2kuq n GLN 42 Cb 0.62 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.65 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 -0.72 3.95 -3.66 1.08 7.64 -1.26 -5.09 113.62 115.55 2kuq n SER 43 Ca 0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 2kuq n SER 43 Cb 0.02 0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.94 0.75 0.12 1.43 -1.05 -1.23 -4.37 118.70 112.41 2kuq s GLU 44 Ca 0.00 -0.39 -0.28 0.00 -0.15 0.00 0.00 54.97 54.14 2kuq s GLU 44 Cb 0.00 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.89 2kuq s GLU 44 CO 0.00 -0.34 0.89 -1.17 0.95 0.00 0.00 175.26 175.59 2kuq s LEU 45 N -2.86 4.52 0.01 1.83 0.20 -0.51 -1.87 118.68 120.01 2kuq s LEU 45 Ca 0.12 1.72 0.03 0.00 0.69 0.00 0.00 54.13 56.70 2kuq s LEU 45 Cb 0.01 -3.48 -0.01 0.00 -0.43 0.00 0.00 46.19 42.28 2kuq s LEU 45 CO -0.02 0.02 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.27 2kuq s VAL 46 N -0.34 0.77 -0.06 1.68 1.01 0.61 -1.21 120.40 122.86 2kuq s VAL 46 Ca 0.43 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2kuq s VAL 46 Cb -0.23 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.49 2kuq s VAL 46 CO 0.28 0.04 0.07 -0.22 0.00 0.00 0.00 175.10 175.28 2kuq s LEU 47 N -0.69 0.14 -0.22 3.92 0.20 0.28 -0.64 118.68 121.68 2kuq s LEU 47 Ca 0.01 0.03 -0.10 0.00 0.69 0.00 0.00 54.13 54.76 2kuq s LEU 47 Cb -0.06 -0.11 -0.05 0.00 -0.43 0.00 0.00 46.19 45.55 2kuq s LEU 47 CO 0.00 -0.26 0.13 -1.00 -0.29 0.00 0.00 176.35 174.93 2kuq s HIS 48 N 2.18 3.33 0.22 5.38 3.76 -0.31 -0.70 115.29 129.16 2kuq s HIS 48 Ca 0.05 0.21 0.07 0.00 -0.15 0.00 0.00 55.06 55.24 2kuq s HIS 48 Cb -0.12 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 2kuq s HIS 48 CO -0.04 0.15 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.38 2kuq s LEU 49 N 0.70 2.51 -0.01 0.89 1.02 -1.26 -0.75 118.68 121.78 2kuq s LEU 49 Ca 0.07 -1.08 0.21 0.00 0.02 0.00 0.00 54.13 53.36 2kuq s LEU 49 Cb -0.12 -0.62 -0.23 0.00 0.02 0.00 0.00 46.19 45.23 2kuq s LEU 49 CO 0.01 -0.25 0.81 1.41 0.02 0.00 0.00 176.35 178.36 2kuq n HIS 50 N -0.42 0.01 0.33 0.29 8.25 -1.26 -4.47 115.22 117.94 2kuq n HIS 50 Ca -0.07 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.50 2kuq n HIS 50 Cb 0.61 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 2kuq n HIS 50 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2kuq n ARG 51 N -1.70 0.45 -3.93 -0.41 3.00 -1.26 -5.02 116.66 107.79 2kuq n ARG 51 Ca 0.02 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.85 57.74 2kuq n ARG 51 Cb 0.39 -1.60 -0.03 0.00 0.00 0.00 0.00 32.46 31.21 2kuq n ARG 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2kuq s ARG 52 N -3.32 1.72 0.57 -0.14 1.70 -1.26 -5.00 118.95 113.22 2kuq s ARG 52 Ca -0.01 -1.19 -0.20 0.00 -0.47 0.00 0.00 55.73 53.87 2kuq s ARG 52 Cb 0.13 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 35.01 2kuq s ARG 52 CO 0.84 -0.75 1.23 -1.21 -1.08 0.00 0.00 175.30 174.33 2kuq s GLU 53 N -3.79 3.06 0.44 3.89 2.02 -1.26 -4.42 118.70 118.63 2kuq s GLU 53 Ca 0.18 1.90 -0.25 0.00 0.02 0.00 0.00 54.97 56.81 2kuq s GLU 53 Cb -0.03 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 32.09 2kuq s GLU 53 CO 0.09 -1.15 1.38 0.00 0.02 0.00 0.00 175.26 175.59 2kuq s ALA 54 N -1.53 3.23 -0.08 5.21 0.00 -1.26 -4.82 121.76 122.52 2kuq s ALA 54 Ca 0.75 1.37 0.04 0.00 0.00 0.00 0.00 51.96 54.12 2kuq s ALA 54 Cb -0.32 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 2kuq s ALA 54 CO 0.36 -1.06 -0.20 0.08 0.00 0.00 0.00 175.76 174.94 2kuq s VAL 55 N -1.23 2.49 0.02 0.00 1.01 0.13 -4.95 120.40 117.87 2kuq s VAL 55 Ca 0.60 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2kuq s VAL 55 Cb -0.41 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2kuq s VAL 55 CO 0.53 0.56 -0.11 -0.13 0.00 0.00 0.00 175.10 175.96 2kuq s ARG 56 N -0.07 0.75 -0.09 2.72 3.00 -1.26 -0.56 118.95 123.44 2kuq s ARG 56 Ca -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 55.73 55.08 2kuq s ARG 56 Cb -0.14 -0.70 0.04 0.00 0.00 0.00 0.00 34.95 34.15 2kuq s ARG 56 CO 0.04 0.18 0.06 -1.58 0.00 0.00 0.00 175.30 174.00 2kuq s TRP 57 N -0.68 0.26 0.38 -0.53 0.51 -0.35 -4.56 118.94 113.96 2kuq s TRP 57 Ca 0.00 -0.04 -0.27 0.00 -2.12 0.00 0.00 56.10 53.67 2kuq s TRP 57 Cb -0.06 -0.63 -0.09 0.00 -0.81 0.00 0.00 33.47 31.88 2kuq s TRP 57 CO 0.00 -0.33 1.26 -1.25 -0.51 0.00 0.00 176.95 176.13 2kuq s PRO 58 N 2.11 4.14 0.44 4.98 0.04 -1.26 -1.42 135.00 144.02 2kuq s PRO 58 Ca 0.04 2.08 0.18 0.00 0.04 0.00 0.00 61.00 63.33 2kuq s PRO 58 Cb -0.13 -2.85 1.02 0.00 0.04 0.00 0.00 34.50 32.57 2kuq s PRO 58 CO -0.05 -0.32 1.95 1.88 0.04 0.00 0.00 177.00 180.49 2kuq h TYR 59 N 2.93 0.00 0.00 0.56 0.05 -1.94 -1.18 116.97 117.39 2kuq h TYR 59 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kuq h TYR 59 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 2kuq h TYR 59 CO 0.55 0.24 0.00 1.37 -1.05 0.00 0.00 178.16 179.26 2kuq h LEU 60 N 0.00 0.00 -2.09 3.88 -0.00 -1.92 -2.44 115.31 112.75 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 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2kuq h LEU 60 CO 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 2kuq s LEU 62 N -1.52 4.46 0.26 0.00 1.43 -0.92 -0.63 118.68 121.76 2kuq s LEU 62 Ca 0.37 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2kuq s LEU 62 Cb 0.22 -2.61 0.33 0.00 0.03 0.00 0.00 46.19 44.15 2kuq s LEU 62 CO 0.31 -1.18 1.68 0.03 0.23 0.00 0.00 176.35 177.42 2kuq h ARG 63 N 9.28 0.56 -1.77 1.70 3.08 -1.75 -3.40 114.38 122.08 2kuq h ARG 63 Ca -0.27 -0.23 0.15 0.00 0.07 0.00 0.00 59.98 59.70 2kuq h ARG 63 Cb 1.08 -0.03 -0.19 0.00 0.08 0.00 0.00 29.97 30.91 2kuq h ARG 63 CO 1.08 0.78 0.63 -0.98 -1.07 0.00 0.00 179.97 180.40 2kuq s ARG 64 N -4.48 0.56 -0.01 0.04 1.70 -1.25 -3.98 118.95 111.53 2kuq s ARG 64 Ca -0.07 -0.10 -0.29 0.00 -0.47 0.00 0.00 55.73 54.79 2kuq s ARG 64 Cb 0.13 0.26 0.07 0.00 -0.57 0.00 0.00 34.95 34.84 2kuq s ARG 64 CO 0.81 -0.22 0.67 1.52 -1.08 0.00 0.00 175.30 176.99 2kuq s TYR 65 N -2.22 -0.63 0.16 5.89 -0.85 -0.44 -1.04 117.35 118.22 2kuq s TYR 65 Ca 0.05 0.95 -0.24 0.00 -0.52 0.00 0.00 57.07 57.31 2kuq s TYR 65 Cb -0.01 0.44 0.06 0.00 0.38 0.00 0.00 41.96 42.83 2kuq s TYR 65 CO -0.05 -0.66 0.81 0.20 -1.52 0.00 0.00 175.55 174.34 2kuq s GLY 66 N -1.52 -0.31 0.05 5.49 0.00 -0.11 -0.68 107.32 110.24 2kuq s GLY 66 Ca -0.08 0.24 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 2kuq s GLY 66 CO 0.05 0.07 0.11 -2.52 0.00 0.00 0.00 173.10 170.81 2kuq s TYR 67 N -3.52 0.22 0.37 1.90 1.13 -1.23 -1.28 117.35 114.96 2kuq s TYR 67 Ca 0.08 -0.59 0.07 0.00 -1.41 0.00 0.00 57.07 55.22 2kuq s TYR 67 Cb -0.03 -0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.66 2kuq s TYR 67 CO -0.02 -0.42 0.24 0.34 -2.51 0.00 0.00 175.55 173.19 2kuq s ASP 68 N -2.42 2.21 0.48 -0.18 -1.08 0.22 -3.64 116.67 112.27 2kuq s ASP 68 Ca -0.01 -1.77 0.27 0.00 -0.52 0.00 0.00 52.55 50.52 2kuq s ASP 68 Cb 0.02 0.59 1.34 0.00 -1.46 0.00 0.00 42.92 43.41 2kuq s ASP 68 CO -0.07 -1.05 1.83 -1.28 0.52 0.00 0.00 175.17 175.12 2kuq h SER 69 N 1.96 0.18 0.00 -0.34 0.87 -1.99 -2.55 113.55 111.68 2kuq h SER 69 Ca -0.28 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 2kuq h SER 69 Cb 1.25 -0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.02 2kuq h SER 69 CO 0.42 0.05 -0.72 0.59 -0.53 0.00 0.00 176.83 176.64 2kuq n ASN 70 N -4.38 0.42 -3.95 6.23 3.02 -1.26 -4.83 115.26 110.51 2kuq n ASN 70 Ca 0.22 -1.96 -0.18 0.00 -0.03 0.00 0.00 54.58 52.63 2kuq n ASN 70 Cb 0.97 -0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 39.77 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 1.77 -0.15 3.41 1.98 -0.96 -1.04 118.68 123.68 2kuq s LEU 71 Ca 0.16 -0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.28 2kuq s LEU 71 Cb 0.18 -0.36 0.03 0.00 0.66 0.00 0.00 46.19 46.69 2kuq s LEU 71 CO -0.08 0.03 -0.10 0.12 -1.89 0.00 0.00 176.35 174.43 2kuq s PHE 72 N 0.22 1.95 0.08 5.38 5.36 -0.25 -0.61 117.98 130.12 2kuq s PHE 72 Ca -0.03 -1.14 0.05 0.00 -0.96 0.00 0.00 56.93 54.86 2kuq s PHE 72 Cb -0.07 -1.46 -0.03 0.00 -0.34 0.00 0.00 43.02 41.12 2kuq s PHE 72 CO -0.00 -0.63 -0.13 0.45 -1.46 0.00 0.00 175.22 173.44 2kuq s SER 73 N 1.55 1.69 0.01 6.13 0.15 -0.40 -1.23 113.70 121.60 2kuq s SER 73 Ca 0.03 -0.68 -0.16 0.00 0.70 0.00 0.00 55.95 55.84 2kuq s SER 73 Cb -0.14 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.16 2kuq s SER 73 CO -0.09 -0.12 0.34 0.72 1.20 0.00 0.00 173.24 175.29 2kuq s PHE 74 N -1.61 -0.19 -0.35 3.44 -0.12 -0.86 -0.94 117.98 117.35 2kuq s PHE 74 Ca 0.01 0.21 -0.07 0.00 -0.05 0.00 0.00 56.93 57.03 2kuq s PHE 74 Cb -0.08 0.13 0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2kuq s PHE 74 CO 0.02 -0.46 0.13 -2.00 -0.05 0.00 0.00 175.22 172.86 2kuq s GLU 75 N -1.84 2.62 -0.10 1.99 -6.30 -0.21 -1.76 118.70 113.10 2kuq s GLU 75 Ca -0.10 -1.21 -0.13 0.00 -2.50 0.00 0.00 54.97 51.03 2kuq s GLU 75 Cb -0.03 -3.52 -0.05 0.00 0.00 0.00 0.00 34.13 30.53 2kuq s GLU 75 CO 0.01 -0.71 0.30 -1.12 0.02 0.00 0.00 175.26 173.77 2kuq s SER 76 N 1.50 6.55 1.04 -1.70 0.01 -0.20 -2.25 113.70 118.64 2kuq s SER 76 Ca -0.01 0.65 -0.15 0.00 1.31 0.00 0.00 55.95 57.75 2kuq s SER 76 Cb -0.20 -2.18 0.21 0.00 0.21 0.00 0.00 66.02 64.06 2kuq s SER 76 CO 0.03 0.23 1.15 0.61 0.41 0.00 0.00 173.24 175.67 2kuq n GLY 77 N 2.59 -1.70 0.00 3.44 0.00 0.20 -1.65 105.19 108.07 2kuq n GLY 77 Ca -0.14 -1.67 0.10 0.00 0.00 0.00 0.00 46.02 44.31 2kuq n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kuq n ARG 78 N -3.68 0.37 -3.04 1.61 1.85 -1.26 -3.33 116.66 109.18 2kuq n ARG 78 Ca 0.15 0.08 -0.30 0.00 -1.00 0.00 0.00 57.85 56.78 2kuq n ARG 78 Cb 0.52 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.21 3.40 -3.90 2.89 5.12 -1.26 -4.62 116.66 117.08 2kuq n ARG 79 Ca 0.11 -4.78 -0.08 0.00 -1.93 0.00 0.00 57.85 51.17 2kuq n ARG 79 Cb 0.13 -2.29 -0.04 0.00 -1.16 0.00 0.00 32.46 29.10 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 2.13 0.85 -0.00 0.00 -0.00 -1.95 -2.24 115.11 113.90 2kuq h GLN 81 Ca -0.23 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2kuq h GLN 81 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.54 2kuq h GLN 81 CO 0.30 0.56 -0.31 0.25 0.00 0.00 0.00 178.83 179.63 2kuq n THR 82 N -4.46 0.00 -2.75 2.39 -2.24 -1.26 -5.07 114.28 100.88 2kuq n THR 82 Ca 0.10 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 2kuq n THR 82 Cb 0.16 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.45 -1.87 3.72 3.38 0.00 -0.84 -4.85 105.19 106.18 2kuq n GLY 83 Ca 0.08 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.60 4.29 -0.14 1.61 0.74 -1.21 -4.73 119.66 119.62 2kuq s GLN 84 Ca 0.00 2.20 -0.34 0.00 0.05 0.00 0.00 55.36 57.27 2kuq s GLN 84 Cb 0.00 -3.19 0.14 0.00 1.10 0.00 0.00 33.01 31.06 2kuq s GLN 84 CO 0.00 -0.46 1.30 0.20 -0.55 0.00 0.00 175.29 175.78 2kuq s GLY 85 N 0.87 -0.35 -0.22 2.59 0.00 -0.66 -4.99 107.32 104.55 2kuq s GLY 85 Ca 0.64 1.27 -0.05 0.00 0.00 0.00 0.00 44.72 46.57 2kuq s GLY 85 CO 0.34 0.36 0.01 -0.42 0.00 0.00 0.00 173.10 173.39 2kuq s ILE 86 N -2.30 3.88 -0.12 0.90 1.01 -1.26 -1.04 121.20 122.28 2kuq s ILE 86 Ca 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.47 2kuq s ILE 86 Cb 0.02 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 2kuq s ILE 86 CO -0.04 0.39 -0.19 -0.36 0.00 0.00 0.00 174.94 174.74 2kuq s PHE 87 N 1.38 2.67 -0.03 3.97 0.08 -0.72 -1.32 117.98 124.02 2kuq s PHE 87 Ca 0.05 -0.93 0.02 0.00 0.12 0.00 0.00 56.93 56.19 2kuq s PHE 87 Cb -0.15 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2kuq s PHE 87 CO 0.01 -0.36 -0.07 0.00 -0.10 0.00 0.00 175.22 174.70 2kuq s ALA 88 N 0.41 0.70 0.00 5.36 0.00 -1.26 -2.03 121.76 124.95 2kuq s ALA 88 Ca -0.14 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2kuq s ALA 88 Cb -0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2kuq s ALA 88 CO 0.06 0.08 -0.07 -0.06 0.00 0.00 0.00 175.76 175.78 2kuq s PHE 89 N 0.39 0.62 -0.20 0.00 0.40 -0.37 -1.53 117.98 117.29 2kuq s PHE 89 Ca -0.05 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 55.97 2kuq s PHE 89 Cb -0.09 -0.39 -0.04 0.00 0.51 0.00 0.00 43.02 43.00 2kuq s PHE 89 CO 0.00 -0.01 0.36 0.21 0.70 0.00 0.00 175.22 176.48 2kuq s LYS 90 N -0.31 4.18 -0.29 0.44 2.20 0.18 -1.09 119.74 125.05 2kuq s LYS 90 Ca 0.01 0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.60 2kuq s LYS 90 Cb -0.03 -3.52 0.15 0.00 -1.51 0.00 0.00 37.83 32.92 2kuq s LYS 90 CO -0.00 0.01 1.02 0.00 -0.36 0.00 0.00 175.35 176.01 2kuq n SER 92 N 3.50 0.49 -1.02 0.00 7.64 -1.26 -2.60 113.62 120.37 2kuq n SER 92 Ca -0.18 0.64 0.08 0.00 1.01 0.00 0.00 58.87 60.42 2kuq n SER 92 Cb 0.57 -0.74 0.27 0.00 -1.01 0.00 0.00 64.21 63.31 2kuq n SER 92 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kuq n ARG 93 N -2.06 3.20 -0.32 1.43 1.85 -1.26 -4.76 116.66 114.75 2kuq n ARG 93 Ca 0.02 -2.78 0.23 0.00 -1.00 0.00 0.00 57.85 54.32 2kuq n ARG 93 Cb 0.17 -1.82 0.52 0.00 -1.05 0.00 0.00 32.46 30.28 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 2.23 2.26 -0.54 2.89 0.00 -1.82 -0.75 119.26 123.54 2kuq h ALA 94 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kuq h ALA 94 Cb 1.41 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2kuq h ALA 94 CO 0.23 -0.65 0.20 1.49 0.00 0.00 0.00 179.25 180.51 2kuq h GLU 95 N 0.38 0.78 -0.13 0.00 4.81 -1.85 -0.79 114.58 117.78 2kuq h GLU 95 Ca 0.58 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.54 2kuq h GLU 95 Cb 1.51 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2kuq h GLU 95 CO -0.28 0.65 -0.57 0.93 -0.73 0.00 0.00 179.01 179.02 2kuq h GLU 96 N 0.77 0.40 -0.14 1.92 5.08 -1.52 -0.91 114.58 120.18 2kuq h GLU 96 Ca 0.18 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2kuq h GLU 96 Cb 0.18 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kuq h GLU 96 CO -0.01 0.86 -0.03 0.82 -1.00 0.00 0.00 179.01 179.65 2kuq h ILE 97 N 0.31 1.28 -0.61 3.13 2.04 -1.30 -1.12 117.51 121.24 2kuq h ILE 97 Ca 0.00 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2kuq h ILE 97 Cb 1.09 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 2kuq h ILE 97 CO 0.10 0.28 0.35 0.15 0.00 0.00 0.00 178.15 179.03 2kuq h PHE 98 N -0.04 0.83 -0.27 1.37 3.57 -1.11 -0.11 116.94 121.17 2kuq h PHE 98 Ca 0.04 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2kuq h PHE 98 Cb 0.44 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2kuq h PHE 98 CO 0.05 0.58 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.77 2kuq h ASN 99 N 0.83 0.50 -0.74 0.41 2.35 -1.19 -2.81 115.58 114.93 2kuq h ASN 99 Ca 0.22 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 2kuq h ASN 99 Cb 0.01 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2kuq h ASN 99 CO -0.04 0.71 0.30 0.25 -1.65 0.00 0.00 177.43 177.00 2kuq h LEU 100 N 0.27 1.02 0.07 1.61 5.85 -1.04 -0.89 115.31 122.20 2kuq h LEU 100 Ca 0.07 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2kuq h LEU 100 Cb 0.47 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2kuq h LEU 100 CO 0.02 0.91 -0.19 0.25 -0.34 0.00 0.00 178.44 179.09 2kuq h LEU 101 N 1.06 -0.55 -0.99 2.25 5.85 -1.00 -0.69 115.31 121.26 2kuq h LEU 101 Ca 0.25 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 2kuq h LEU 101 Cb 0.21 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2kuq h LEU 101 CO -0.02 -0.27 -0.42 0.06 -0.34 0.00 0.00 178.44 177.45 2kuq h GLN 102 N -0.35 0.18 -0.45 1.25 3.07 -1.35 -2.58 115.11 114.88 2kuq h GLN 102 Ca 0.04 -0.09 -0.12 0.00 0.09 0.00 0.00 58.65 58.57 2kuq h GLN 102 Cb 0.39 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 2kuq h GLN 102 CO -0.13 0.57 -0.19 -0.44 0.09 0.00 0.00 178.83 178.73 2kuq h ASP 103 N 0.15 0.91 0.95 0.06 3.32 -0.86 -0.02 116.42 120.95 2kuq h ASP 103 Ca 0.01 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 2kuq h ASP 103 Cb 0.80 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2kuq h ASP 103 CO 0.06 1.08 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.38 2kuq h LEU 104 N 0.79 0.00 0.07 1.55 3.38 -1.06 -0.62 115.31 119.41 2kuq h LEU 104 Ca 0.11 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 2kuq h LEU 104 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2kuq h LEU 104 CO 0.06 0.22 -1.55 0.24 0.09 0.00 0.00 178.44 177.49 2kuq h MET 105 N 0.00 0.14 0.04 1.13 2.86 -1.12 -3.35 114.93 114.63 2kuq h MET 105 Ca -0.00 -0.24 -0.25 0.00 -2.06 0.00 0.00 59.70 57.15 2kuq h MET 105 Cb 0.75 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 2kuq h MET 105 CO 0.03 0.92 -1.21 -0.56 1.06 0.00 0.00 176.91 177.14 2kuq h GLN 106 N 0.04 0.09 -6.36 1.72 3.07 -1.02 -3.49 115.11 109.16 2kuq h GLN 106 Ca -0.24 -0.16 -0.45 0.00 0.09 0.00 0.00 58.65 57.90 2kuq h GLN 106 Cb 1.98 0.06 0.06 0.00 0.08 0.00 0.00 27.48 29.66 2kuq h GLN 106 CO 0.12 1.00 -0.92 0.00 0.09 0.00 0.00 178.83 179.12 2kuq s ASN 108 N -3.41 0.22 -0.55 0.00 2.47 -1.26 -5.11 114.94 107.30 2kuq s ASN 108 Ca 0.42 -0.52 -0.27 0.00 0.42 0.00 0.00 52.86 52.91 2kuq s ASN 108 Cb -0.17 0.15 -0.00 0.00 -1.45 0.00 0.00 41.25 39.78 2kuq s ASN 108 CO 0.88 -0.39 1.64 -0.94 -3.72 0.00 0.00 177.10 174.57 2kuq s SER 109 N -1.76 5.77 -0.01 -4.21 1.04 -1.26 -4.97 113.70 108.29 2kuq s SER 109 Ca -0.11 0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.78 2kuq s SER 109 Cb -0.06 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.53 2kuq s SER 109 CO -0.02 -1.97 -0.06 -0.63 0.98 0.00 0.00 173.24 171.54 2kuq s ILE 110 N 7.31 0.54 -0.10 -1.02 -1.09 -1.26 -5.16 121.20 120.42 2kuq s ILE 110 Ca 0.61 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 2kuq s ILE 110 Cb -0.13 -0.47 -0.02 0.00 -1.58 0.00 0.00 42.46 40.26 2kuq s ILE 110 CO 0.24 0.16 -0.12 0.20 -1.23 0.00 0.00 174.94 174.19 2kuq s ASN 111 N 0.03 4.12 -0.20 3.58 0.01 -1.26 -5.12 114.94 116.10 2kuq s ASN 111 Ca 0.00 -0.24 -0.27 0.00 -0.71 0.00 0.00 52.86 51.64 2kuq s ASN 111 Cb -0.05 -1.30 0.08 0.00 0.41 0.00 0.00 41.25 40.40 2kuq s ASN 111 CO -0.00 0.25 0.78 0.54 -1.51 0.00 0.00 177.10 177.16 2kuq s VAL 112 N -0.15 0.00 0.17 1.60 0.11 -1.26 -5.19 120.40 115.67 2kuq s VAL 112 Ca -0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2kuq s VAL 112 Cb -0.13 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 2kuq s VAL 112 CO 0.03 0.00 0.24 -0.04 -3.33 0.00 0.00 175.10 172.00 2kuq s MET 113 N -0.20 3.24 -0.13 1.54 1.00 -1.26 -5.09 119.30 118.41 2kuq s MET 113 Ca -0.03 -0.72 -0.24 0.00 0.00 0.00 0.00 55.69 54.70 2kuq s MET 113 Cb -0.03 -2.84 -0.03 0.00 0.00 0.00 0.00 34.83 31.93 2kuq s MET 113 CO 0.02 0.50 0.75 -1.83 0.00 0.00 0.00 175.02 174.46 2kuq s GLU 114 N -3.28 4.35 0.35 2.03 -1.05 -1.26 -5.08 118.70 114.76 2kuq s GLU 114 Ca 0.33 0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 55.97 2kuq s GLU 114 Cb -0.10 -3.52 -0.06 0.00 -0.44 0.00 0.00 34.13 30.01 2kuq s GLU 114 CO 0.27 -0.14 0.68 -1.21 0.95 0.00 0.00 175.26 175.80 2kuq s GLU 115 N 1.51 3.73 0.86 -4.83 8.01 -1.26 -5.11 118.70 121.62 2kuq s GLU 115 Ca 0.37 0.29 -0.11 0.00 0.01 0.00 0.00 54.97 55.52 2kuq s GLU 115 Cb -0.17 -2.50 0.11 0.00 -4.31 0.00 0.00 34.13 27.26 2kuq s GLU 115 CO 0.15 0.07 1.09 -1.25 0.01 0.00 0.00 175.26 175.34 2kuq s PRO 116 N -3.69 1.55 -0.05 0.39 0.04 -1.26 -5.08 135.00 126.90 2kuq s PRO 116 Ca 0.48 0.80 0.04 0.00 0.04 0.00 0.00 61.00 62.36 2kuq s PRO 116 Cb -0.10 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 2kuq s PRO 116 CO 0.30 -2.03 -0.17 0.08 0.04 0.00 0.00 177.00 175.22 2kuq s VAL 117 N -2.99 1.45 -0.08 -0.36 1.01 -1.26 -5.14 120.40 113.02 2kuq s VAL 117 Ca 0.63 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2kuq s VAL 117 Cb -0.17 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2kuq s VAL 117 CO 0.56 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 175.27 2kuq s ILE 118 N 0.13 1.62 0.05 2.22 1.09 -1.26 -5.13 121.20 119.93 2kuq s ILE 118 Ca -0.06 -0.76 -0.30 0.00 -1.10 0.00 0.00 60.65 58.42 2kuq s ILE 118 Cb -0.12 -1.42 -0.05 0.00 -1.06 0.00 0.00 42.46 39.80 2kuq s ILE 118 CO 0.03 0.46 1.07 -0.63 -0.10 0.00 0.00 174.94 175.77 2kuq s ILE 119 N 0.47 4.40 0.23 2.92 -1.09 -1.26 -5.05 121.20 121.82 2kuq s ILE 119 Ca -0.16 1.78 0.09 0.00 -2.23 0.00 0.00 60.65 60.13 2kuq s ILE 119 Cb -0.17 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2kuq s ILE 119 CO 0.06 0.17 -0.03 0.42 -1.23 0.00 0.00 174.94 174.33 2kuq s THR 120 N 0.79 3.41 -0.23 2.92 -4.23 -1.26 -5.13 115.64 111.90 2kuq s THR 120 Ca 0.54 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.22 2kuq s THR 120 Cb -0.25 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 2kuq s THR 120 CO 0.29 -0.26 0.02 -0.44 -0.54 0.00 0.00 174.62 173.70 2kuq s SER 121 N -3.31 4.86 0.48 3.99 0.01 -1.26 -5.12 113.70 113.35 2kuq s SER 121 Ca 0.29 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.32 2kuq s SER 121 Cb -0.08 -1.85 0.07 0.00 0.21 0.00 0.00 66.02 64.37 2kuq s SER 121 CO 0.18 0.00 0.48 0.61 0.41 0.00 0.00 173.24 174.93 2kuq n GLY 122 N 4.65 1.10 3.64 3.44 0.00 -1.26 -5.10 105.19 111.66 2kuq n GLY 122 Ca -0.17 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 123 N -3.00 6.42 -0.15 1.61 0.15 -1.26 -5.07 113.70 112.41 2kuq s SER 123 Ca 0.33 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.19 2kuq s SER 123 Cb -0.02 -2.25 -0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2kuq s SER 123 CO 0.22 -0.17 1.02 -0.44 1.20 0.00 0.00 173.24 175.07 2kuq s SER 124 N 1.31 7.19 0.00 5.45 0.01 -1.26 -4.99 113.70 121.41 2kuq s SER 124 Ca 0.20 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.94 2kuq s SER 124 Cb -0.15 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2kuq s SER 124 CO 0.09 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.81 2kuq n GLY 125 N 3.19 1.12 3.63 3.44 0.00 -1.26 -5.18 105.19 110.13 2kuq n GLY 125 Ca 0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.67 0.00 1.61 1.04 -1.26 -5.02 113.70 109.40 2kuq s SER 126 Ca 0.00 1.05 0.20 0.00 0.48 0.00 0.00 55.95 57.68 2kuq s SER 126 Cb 0.00 1.33 1.16 0.00 0.10 0.00 0.00 66.02 68.61 2kuq s SER 126 CO 0.00 -0.16 1.75 -0.24 0.98 0.00 0.00 173.24 175.56 2kuq n SER 127 N 4.04 0.04 0.00 7.02 2.88 -1.26 -5.01 113.62 121.33 2kuq n SER 127 Ca -0.18 -1.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.96 2kuq n SER 127 Cb 0.57 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2kuq n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 128 N 0.81 1.63 3.20 0.46 0.00 -1.26 -5.14 105.19 104.90 2kuq n GLY 128 Ca 0.15 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2kuq n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 129 N 0.00 0.08 0.50 1.61 0.01 -1.26 -4.87 113.70 109.78 2kuq s SER 129 Ca 0.00 -0.57 0.07 0.00 1.31 0.00 0.00 55.95 56.76 2kuq s SER 129 Cb 0.00 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.59 2kuq s SER 129 CO 0.00 -0.69 0.46 -0.55 0.41 0.00 0.00 173.24 172.87 2kuq s SER 130 N -2.67 4.86 -0.09 2.44 0.15 -1.26 -5.10 113.70 112.04 2kuq s SER 130 Ca 0.02 -0.99 -0.30 0.00 0.70 0.00 0.00 55.95 55.38 2kuq s SER 130 Cb 0.03 0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2kuq s SER 130 CO -0.09 -0.98 1.16 -0.83 1.20 0.00 0.00 173.24 173.69 2kuq s GLY 131 N -4.30 2.08 -0.12 9.45 0.00 -1.26 -5.03 107.32 108.13 2kuq s GLY 131 Ca 0.44 0.52 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 2kuq s GLY 131 CO 0.27 2.18 0.29 -0.56 0.00 0.00 0.00 173.10 175.28 2kuq s SER 132 N 1.44 -0.29 0.00 1.64 0.01 -1.26 -5.05 113.70 110.18 2kuq s SER 132 Ca 0.53 0.63 0.25 0.00 1.31 0.00 0.00 55.95 58.68 2kuq s SER 132 Cb -0.22 0.53 0.58 0.00 0.21 0.00 0.00 66.02 67.12 2kuq s SER 132 CO 0.19 -0.18 1.46 -0.24 0.41 0.00 0.00 173.24 174.88 2kuq n SER 133 N 4.32 0.99 0.00 2.44 2.88 -1.26 -4.98 113.62 118.01 2kuq n SER 133 Ca -0.23 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 2kuq n SER 133 Cb 0.53 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 134 N 1.39 4.06 3.76 0.46 0.00 -1.26 -4.84 105.19 108.77 2kuq n GLY 134 Ca 0.10 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 3.59 -0.27 0.99 1.02 -1.26 -4.95 118.68 117.80 2kuq s LEU 135 Ca 0.00 2.26 -0.08 0.00 0.02 0.00 0.00 54.13 56.33 2kuq s LEU 135 Cb 0.00 -4.58 -0.03 0.00 0.02 0.00 0.00 46.19 41.60 2kuq s LEU 135 CO 0.00 -1.60 0.11 0.12 0.02 0.00 0.00 176.35 175.00 2kuq s PHE 136 N -1.82 3.13 -0.18 0.29 2.19 -1.26 -5.08 117.98 115.24 2kuq s PHE 136 Ca 0.74 -0.39 -0.26 0.00 0.33 0.00 0.00 56.93 57.34 2kuq s PHE 136 Cb -0.27 -2.29 -0.01 0.00 -1.31 0.00 0.00 43.02 39.14 2kuq s PHE 136 CO 0.35 -0.36 0.89 1.03 1.83 0.00 0.00 175.22 178.96 2kuq s ARG 137 N 1.63 4.29 0.34 10.12 0.52 -1.26 -4.56 118.95 130.03 2kuq s ARG 137 Ca 0.06 1.12 -0.19 0.00 -0.52 0.00 0.00 55.73 56.19 2kuq s ARG 137 Cb -0.16 -3.59 -0.10 0.00 0.52 0.00 0.00 34.95 31.62 2kuq s ARG 137 CO 0.05 -0.41 0.83 -0.51 0.02 0.00 0.00 175.30 175.28 2kuq s LEU 138 N 2.42 4.12 0.24 2.53 1.43 -0.43 -4.93 118.68 124.07 2kuq s LEU 138 Ca 0.40 1.51 0.15 0.00 -1.03 0.00 0.00 54.13 55.16 2kuq s LEU 138 Cb -0.16 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 41.97 2kuq s LEU 138 CO 0.11 -0.19 1.36 0.03 0.23 0.00 0.00 176.35 177.89 2kuq h ARG 139 N 2.50 0.00 -4.38 1.70 2.47 -1.97 -3.37 114.38 111.33 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 1.18 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.28 2kuq h ARG 139 CO 0.64 0.50 -0.73 -1.01 0.56 0.00 0.00 179.97 179.93 2kuq s HIS 140 N -2.95 0.54 -0.01 3.04 3.76 -1.26 -5.10 115.29 113.31 2kuq s HIS 140 Ca 0.03 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 2kuq s HIS 140 Cb 0.08 -0.33 -0.03 0.00 1.11 0.00 0.00 32.58 33.40 2kuq s HIS 140 CO 0.76 -0.10 1.05 0.12 -0.85 0.00 0.00 174.74 175.72 2kuq s PHE 141 N -1.27 3.54 -0.27 1.40 5.36 -1.26 -4.97 117.98 120.51 2kuq s PHE 141 Ca -0.10 1.55 0.21 0.00 -0.96 0.00 0.00 56.93 57.64 2kuq s PHE 141 Cb -0.09 -3.22 0.08 0.00 -0.34 0.00 0.00 43.02 39.45 2kuq s PHE 141 CO 0.00 -0.43 1.20 -1.00 -1.46 0.00 0.00 175.22 173.54 2kuq h PRO 142 N 6.92 0.00 -5.98 10.12 0.13 -1.99 -3.47 132.00 137.73 2kuq h PRO 142 Ca -0.39 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.13 2kuq h PRO 142 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2kuq h PRO 142 CO 0.79 0.07 -0.29 0.00 -0.23 0.00 0.00 178.00 178.34 2kuq h GLY 144 N 4.21 0.49 -6.07 0.00 0.00 -1.91 -3.41 103.07 96.38 2kuq h GLY 144 Ca -0.51 -0.93 -0.74 0.00 0.00 0.00 0.00 47.33 45.15 2kuq h GLY 144 CO 0.64 0.82 2.49 0.70 0.00 0.00 0.00 176.54 181.19 2kuq n ASN 145 N -3.73 5.69 -4.75 0.19 3.02 -1.24 -4.97 115.26 109.48 2kuq n ASN 145 Ca -0.08 -3.01 -0.41 0.00 -0.03 0.00 0.00 54.58 51.04 2kuq n ASN 145 Cb 0.89 -1.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 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 0.84 3.15 0.03 2.41 1.01 -1.26 -3.47 120.40 123.12 2kuq s VAL 146 Ca 0.46 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2kuq s VAL 146 Cb 0.13 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2kuq s VAL 146 CO -0.04 0.18 -0.04 0.21 0.00 0.00 0.00 175.10 175.41 2kuq s ASN 147 N 0.02 0.42 0.10 3.32 2.47 0.14 -4.99 114.94 116.43 2kuq s ASN 147 Ca 0.53 -0.65 0.05 0.00 0.42 0.00 0.00 52.86 53.22 2kuq s ASN 147 Cb -0.36 0.12 -0.04 0.00 -1.45 0.00 0.00 41.25 39.51 2kuq s ASN 147 CO 0.42 -0.37 -0.02 -0.31 -3.72 0.00 0.00 177.10 173.10 2kuq s TYR 148 N -2.16 2.93 0.00 0.43 1.51 -1.26 -1.33 117.35 117.47 2kuq s TYR 148 Ca -0.08 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2kuq s TYR 148 Cb -0.05 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 2kuq s TYR 148 CO -0.03 0.47 0.00 0.41 -1.11 0.00 0.00 175.55 175.29 2kuq n GLY 149 N 0.50 0.83 3.77 0.71 0.00 -1.26 -4.99 105.19 104.75 2kuq n GLY 149 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2kuq n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kuq s TYR 150 N 0.40 2.97 0.22 1.61 2.02 -1.26 -5.05 117.35 118.27 2kuq s TYR 150 Ca 0.00 1.48 -0.18 0.00 -0.37 0.00 0.00 57.07 58.00 2kuq s TYR 150 Cb 0.00 -3.54 0.02 0.00 -0.40 0.00 0.00 41.96 38.04 2kuq s TYR 150 CO 0.00 -1.69 0.58 1.14 -1.57 0.00 0.00 175.55 174.01 2kuq s GLN 151 N -2.18 1.51 -0.36 -0.62 0.00 -1.26 -5.11 119.66 111.64 2kuq s GLN 151 Ca 0.56 -0.93 -0.16 0.00 -0.00 0.00 0.00 55.36 54.83 2kuq s GLN 151 Cb -0.35 0.54 -0.01 0.00 0.00 0.00 0.00 33.01 33.20 2kuq s GLN 151 CO 0.45 -0.66 0.39 -1.14 0.00 0.00 0.00 175.29 174.33 2kuq s GLN 152 N -3.90 3.49 0.00 9.60 0.74 -1.26 -5.29 119.66 123.04 2kuq s GLN 152 Ca 0.11 -0.45 0.12 0.00 0.05 0.00 0.00 55.36 55.19 2kuq s GLN 152 Cb -0.02 -3.83 0.72 0.00 1.10 0.00 0.00 33.01 30.98 2kuq s GLN 152 CO 0.01 -0.59 1.16 0.00 -0.55 0.00 0.00 175.29 175.31