#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 4.11 0.05 1.61 1.04 -1.26 -5.12 113.70 114.13 2kuq s SER 2 Ca 0.00 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 56.83 2kuq s SER 2 Cb 0.00 -0.97 0.04 0.00 0.10 0.00 0.00 66.02 65.20 2kuq s SER 2 CO 0.00 -2.13 0.45 -0.94 0.98 0.00 0.00 173.24 171.60 2kuq s SER 3 N -4.67 -0.34 0.00 7.02 1.04 -1.26 -5.18 113.70 110.32 2kuq s SER 3 Ca 0.65 0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2kuq s SER 3 Cb -0.09 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2kuq s SER 3 CO 0.50 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2kuq n GLY 4 N 0.43 2.63 3.64 7.32 0.00 -1.26 -4.79 105.19 113.17 2kuq n GLY 4 Ca -0.18 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2kuq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 5 N 2.00 -0.40 0.31 1.61 1.04 -1.26 -5.15 113.70 111.84 2kuq s SER 5 Ca 0.00 -0.30 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 2kuq s SER 5 Cb 0.00 0.65 0.06 0.00 0.10 0.00 0.00 66.02 66.83 2kuq s SER 5 CO 0.00 -1.14 0.80 -0.24 0.98 0.00 0.00 173.24 173.64 2kuq n SER 6 N -0.42 -1.97 0.00 7.02 2.88 -1.26 -5.12 113.62 114.75 2kuq n SER 6 Ca -0.10 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 2kuq n SER 6 Cb 0.62 3.26 0.00 0.00 -0.75 0.00 0.00 64.21 67.34 2kuq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 7 N -0.55 1.18 3.27 0.46 0.00 -1.26 -4.94 105.19 103.35 2kuq n GLY 7 Ca -0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 0.65 0.10 0.99 0.05 -1.26 -5.18 118.68 114.03 2kuq s LEU 8 Ca 0.00 0.41 -0.15 0.00 0.05 0.00 0.00 54.13 54.44 2kuq s LEU 8 Cb 0.00 1.34 0.03 0.00 -2.05 0.00 0.00 46.19 45.51 2kuq s LEU 8 CO 0.00 -0.32 0.35 0.20 -0.55 0.00 0.00 176.35 176.04 2kuq s ASN 9 N -0.66 -0.17 0.20 1.48 -0.87 -1.26 -5.08 114.94 108.58 2kuq s ASN 9 Ca -0.08 -0.32 0.24 0.00 -1.57 0.00 0.00 52.86 51.13 2kuq s ASN 9 Cb -0.04 0.43 0.91 0.00 -0.02 0.00 0.00 41.25 42.53 2kuq s ASN 9 CO 0.03 -0.78 1.71 -2.11 -2.57 0.00 0.00 177.10 173.38 2kuq n ARG 10 N -0.01 0.18 -3.15 -0.60 0.00 -1.26 -4.85 116.66 106.98 2kuq n ARG 10 Ca -0.16 0.33 -0.28 0.00 -0.00 0.00 0.00 57.85 57.73 2kuq n ARG 10 Cb 0.62 -1.79 -0.02 0.00 -0.00 0.00 0.00 32.46 31.27 2kuq n ARG 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2kuq s ASP 11 N -4.11 6.41 0.10 2.89 -4.77 -1.26 -5.03 116.67 110.90 2kuq s ASP 11 Ca 0.07 0.79 0.26 0.00 -3.30 0.00 0.00 52.55 50.36 2kuq s ASP 11 Cb 0.11 -2.18 0.66 0.00 -1.09 0.00 0.00 42.92 40.42 2kuq s ASP 11 CO 0.44 -0.31 1.57 -0.24 0.70 0.00 0.00 175.17 177.33 2kuq n SER 12 N -1.33 0.56 -3.64 2.11 2.88 -1.26 -4.88 113.62 108.05 2kuq n SER 12 Ca -0.01 0.23 -0.04 0.00 -1.33 0.00 0.00 58.87 57.72 2kuq n SER 12 Cb 0.54 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.75 2kuq n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kuq s VAL 13 N -3.09 0.00 0.28 2.46 0.11 -1.26 -5.16 120.40 113.74 2kuq s VAL 13 Ca 0.10 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.85 2kuq s VAL 13 Cb 0.15 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.90 2kuq s VAL 13 CO 0.65 0.00 1.19 -2.16 -3.33 0.00 0.00 175.10 171.45 2kuq s PRO 14 N 1.15 4.51 0.27 1.54 0.04 -1.26 -4.94 135.00 136.31 2kuq s PRO 14 Ca -0.07 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.16 2kuq s PRO 14 Cb -0.04 -3.16 1.01 0.00 0.04 0.00 0.00 34.50 32.35 2kuq s PRO 14 CO -0.14 0.01 1.69 -0.40 0.04 0.00 0.00 177.00 178.20 2kuq n ASP 15 N 1.33 0.62 -1.16 6.66 5.75 -1.26 -2.66 116.55 125.83 2kuq n ASP 15 Ca 0.00 0.68 0.08 0.00 -0.01 0.00 0.00 54.79 55.55 2kuq n ASP 15 Cb 0.44 -0.80 0.29 0.00 -1.03 0.00 0.00 41.12 40.01 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2kuq n ASN 16 N -2.22 4.30 -4.55 -1.12 6.94 -1.26 -5.05 115.26 112.30 2kuq n ASN 16 Ca 0.01 -2.84 -0.52 0.00 -0.02 0.00 0.00 54.58 51.21 2kuq n ASN 16 Cb 0.18 -0.55 -0.06 0.00 -2.36 0.00 0.00 39.78 37.00 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 0.02 1.03 0.30 -2.53 -0.00 -1.09 -4.89 115.22 108.06 2kuq n HIS 17 Ca 0.22 0.79 0.18 0.00 0.46 0.00 0.00 57.72 59.37 2kuq n HIS 17 Cb 0.91 -2.22 0.75 0.00 -0.12 0.00 0.00 29.99 29.32 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 3.42 0.00 0.00 1.57 0.13 -1.94 -3.37 132.00 131.81 2kuq h PRO 18 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.70 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 176.10 2kuq n THR 19 N -3.00 0.00 -4.96 1.56 5.66 -1.26 -5.06 114.28 107.23 2kuq n THR 19 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 2kuq n THR 19 Cb 0.26 0.76 -0.16 0.00 -1.55 0.00 0.00 70.33 69.64 2kuq n THR 19 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2kuq s LYS 20 N 0.00 1.77 -0.04 1.09 1.02 -1.26 -3.58 119.74 118.73 2kuq s LYS 20 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2kuq s LYS 20 Cb 0.00 -1.62 0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2kuq s LYS 20 CO 0.00 0.36 0.04 -0.06 -0.92 0.00 0.00 175.35 174.77 2kuq s PHE 21 N -0.26 0.15 0.13 3.18 0.08 -0.19 -4.61 117.98 116.46 2kuq s PHE 21 Ca 0.03 0.17 -0.31 0.00 0.12 0.00 0.00 56.93 56.93 2kuq s PHE 21 Cb -0.10 -0.48 -0.09 0.00 -0.57 0.00 0.00 43.02 41.78 2kuq s PHE 21 CO 0.01 -0.19 1.54 0.15 -0.10 0.00 0.00 175.22 176.63 2kuq s LYS 22 N 1.89 4.24 0.04 0.44 3.01 -1.26 -0.65 119.74 127.44 2kuq s LYS 22 Ca 0.02 2.28 0.01 0.00 -1.01 0.00 0.00 55.97 57.26 2kuq s LYS 22 Cb -0.12 -3.29 -0.03 0.00 -1.01 0.00 0.00 37.83 33.38 2kuq s LYS 22 CO -0.03 -0.60 -0.05 0.14 0.51 0.00 0.00 175.35 175.32 2kuq s VAL 23 N 1.52 0.30 -0.15 3.17 -7.23 -0.17 -4.76 120.40 113.08 2kuq s VAL 23 Ca 0.70 -1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2kuq s VAL 23 Cb -0.41 -0.70 0.04 0.00 0.56 0.00 0.00 36.38 35.87 2kuq s VAL 23 CO 0.31 -0.59 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.59 2kuq s THR 24 N -2.05 0.95 0.34 5.32 2.01 -1.01 -1.22 115.64 119.98 2kuq s THR 24 Ca -0.08 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.14 2kuq s THR 24 Cb -0.06 -1.15 -0.10 0.00 0.01 0.00 0.00 72.50 71.21 2kuq s THR 24 CO -0.02 0.13 1.21 0.21 -0.69 0.00 0.00 174.62 175.45 2kuq s ASN 25 N 1.70 6.84 0.08 3.53 3.84 -0.20 -0.78 114.94 129.96 2kuq s ASN 25 Ca 0.01 2.47 0.04 0.00 0.21 0.00 0.00 52.86 55.59 2kuq s ASN 25 Cb -0.15 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 37.89 2kuq s ASN 25 CO -0.07 -0.46 -0.10 0.68 -2.79 0.00 0.00 177.10 174.35 2kuq s VAL 26 N -1.22 0.88 0.31 -5.21 -7.23 -0.70 -1.76 120.40 105.46 2kuq s VAL 26 Ca 0.50 -1.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 2kuq s VAL 26 Cb -0.35 -1.18 0.07 0.00 0.56 0.00 0.00 36.38 35.47 2kuq s VAL 26 CO 0.46 -0.49 0.42 -0.90 -0.31 0.00 0.00 175.10 174.27 2kuq n ASP 27 N 0.82 0.15 0.28 4.85 5.75 -1.20 -4.62 116.55 122.57 2kuq n ASP 27 Ca -0.18 -1.22 0.18 0.00 -0.01 0.00 0.00 54.79 53.56 2kuq n ASP 27 Cb 0.57 -0.31 0.77 0.00 -1.03 0.00 0.00 41.12 41.12 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 -0.48 0.00 0.01 -1.12 2.03 -1.94 -1.61 116.42 113.30 2kuq h ASP 28 Ca -0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 2kuq h ASP 28 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 2kuq h ASP 28 CO 0.11 0.00 -0.05 -0.62 -1.03 0.00 0.00 179.24 177.65 2kuq n GLU 29 N -3.01 1.75 -0.96 4.15 1.02 -1.26 -4.99 120.64 117.35 2kuq n GLU 29 Ca 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 57.16 55.94 2kuq n GLU 29 Cb 0.25 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kuq n GLY 30 N 1.25 0.44 3.74 0.62 0.00 -0.61 -5.04 105.19 105.60 2kuq n GLY 30 Ca 0.16 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 4.44 -0.13 1.61 1.01 -1.26 -4.79 120.40 119.28 2kuq s VAL 31 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 2kuq s VAL 31 Cb 0.00 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kuq s VAL 31 CO 0.00 0.37 1.88 -1.61 0.00 0.00 0.00 175.10 175.74 2kuq s GLU 32 N -0.31 3.76 -0.25 2.72 2.02 -1.26 -3.22 118.70 122.15 2kuq s GLU 32 Ca 0.44 2.08 -0.16 0.00 0.02 0.00 0.00 54.97 57.35 2kuq s GLU 32 Cb -0.23 -4.16 -0.12 0.00 0.10 0.00 0.00 34.13 29.71 2kuq s GLU 32 CO 0.29 -1.37 -0.23 1.28 0.02 0.00 0.00 175.26 175.26 2kuq n LEU 33 N 8.91 1.93 -3.51 1.80 4.77 -0.72 -4.80 117.00 125.37 2kuq n LEU 33 Ca 0.22 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.46 2kuq n LEU 33 Cb 0.44 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 2kuq n LEU 33 CO 0.66 0.37 0.65 -0.83 -1.33 0.00 0.00 177.39 176.91 2kuq s GLY 34 N -5.25 -0.45 0.14 -0.72 0.00 -1.25 -4.53 107.32 95.27 2kuq s GLY 34 Ca -0.35 1.25 0.08 0.00 0.00 0.00 0.00 44.72 45.71 2kuq s GLY 34 CO 0.49 0.57 -0.19 -0.56 0.00 0.00 0.00 173.10 173.41 2kuq s SER 35 N -2.01 2.57 0.12 1.64 0.01 -1.26 -1.04 113.70 113.73 2kuq s SER 35 Ca 0.01 -0.80 -0.07 0.00 1.31 0.00 0.00 55.95 56.40 2kuq s SER 35 Cb -0.01 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.10 2kuq s SER 35 CO -0.05 -0.01 0.35 0.61 0.41 0.00 0.00 173.24 174.55 2kuq n GLY 36 N 0.57 1.34 3.20 3.44 0.00 -0.36 -4.00 105.19 109.38 2kuq n GLY 36 Ca -0.15 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.53 2.97 0.14 1.61 1.01 0.20 -1.00 120.40 122.81 2kuq s VAL 37 Ca 0.07 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.64 2kuq s VAL 37 Cb -0.02 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 2kuq s VAL 37 CO 0.04 0.07 0.78 -0.32 0.00 0.00 0.00 175.10 175.66 2kuq s MET 38 N 1.30 4.56 -0.04 2.72 0.00 0.18 -1.28 119.30 126.73 2kuq s MET 38 Ca -0.02 1.15 -0.02 0.00 0.00 0.00 0.00 55.69 56.80 2kuq s MET 38 Cb -0.18 -3.29 0.03 0.00 0.00 0.00 0.00 34.83 31.39 2kuq s MET 38 CO -0.03 0.50 0.10 -2.00 0.00 0.00 0.00 175.02 173.60 2kuq s GLU 39 N -0.90 0.07 -0.17 4.11 2.12 0.05 -1.02 118.70 122.97 2kuq s GLU 39 Ca 0.37 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.95 2kuq s GLU 39 Cb -0.23 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.07 2kuq s GLU 39 CO 0.26 -0.11 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.17 2kuq s LEU 40 N 0.71 2.24 0.53 2.70 1.02 -1.24 -0.12 118.68 124.53 2kuq s LEU 40 Ca -0.06 -0.59 0.06 0.00 0.02 0.00 0.00 54.13 53.57 2kuq s LEU 40 Cb -0.08 -1.50 0.03 0.00 0.02 0.00 0.00 46.19 44.67 2kuq s LEU 40 CO -0.03 0.04 0.41 0.42 0.02 0.00 0.00 176.35 177.21 2kuq s THR 41 N 1.07 1.74 -2.00 5.49 -4.23 -0.72 -5.00 115.64 111.98 2kuq s THR 41 Ca -0.01 -1.47 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 2kuq s THR 41 Cb -0.14 -2.21 0.40 0.00 1.34 0.00 0.00 72.50 71.88 2kuq s THR 41 CO -0.06 0.00 1.27 1.67 -0.54 0.00 0.00 174.62 176.95 2kuq n GLN 42 N -1.75 0.57 0.00 3.99 7.27 -1.26 -3.96 117.38 122.23 2kuq n GLN 42 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 2kuq n GLN 42 Cb 0.64 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.91 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2kuq n SER 43 N -0.88 2.83 -3.74 1.69 7.64 -1.26 -5.09 113.62 114.81 2kuq n SER 43 Ca 0.10 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.92 2kuq n SER 43 Cb 0.05 0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.67 1.67 -0.07 1.43 1.03 -1.25 -4.22 118.70 115.61 2kuq s GLU 44 Ca 0.00 -0.94 -0.25 0.00 0.03 0.00 0.00 54.97 53.81 2kuq s GLU 44 Cb 0.00 0.55 -0.03 0.00 -0.80 0.00 0.00 34.13 33.85 2kuq s GLU 44 CO 0.00 -0.77 0.75 -1.17 -1.33 0.00 0.00 175.26 172.75 2kuq s LEU 45 N -2.95 4.31 0.08 1.83 0.20 -0.36 -1.75 118.68 120.04 2kuq s LEU 45 Ca 0.12 1.25 0.09 0.00 0.69 0.00 0.00 54.13 56.28 2kuq s LEU 45 Cb -0.05 -3.16 -0.03 0.00 -0.43 0.00 0.00 46.19 42.52 2kuq s LEU 45 CO 0.06 -0.17 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.03 2kuq s VAL 46 N 0.99 1.88 -0.10 1.68 1.01 0.82 -1.08 120.40 125.60 2kuq s VAL 46 Ca 0.40 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2kuq s VAL 46 Cb -0.18 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.59 2kuq s VAL 46 CO 0.19 0.12 0.09 -0.22 0.00 0.00 0.00 175.10 175.28 2kuq s LEU 47 N -1.62 0.17 -0.24 3.92 0.20 0.28 -0.77 118.68 120.62 2kuq s LEU 47 Ca 0.09 -0.16 -0.17 0.00 0.69 0.00 0.00 54.13 54.58 2kuq s LEU 47 Cb -0.10 -0.10 -0.03 0.00 -0.43 0.00 0.00 46.19 45.53 2kuq s LEU 47 CO 0.04 -0.29 0.48 -1.00 -0.29 0.00 0.00 176.35 175.28 2kuq s HIS 48 N 2.18 3.30 -0.12 5.38 3.76 -0.41 -1.10 115.29 128.28 2kuq s HIS 48 Ca 0.04 0.63 0.02 0.00 -0.15 0.00 0.00 55.06 55.60 2kuq s HIS 48 Cb -0.14 -2.66 -0.00 0.00 1.11 0.00 0.00 32.58 30.89 2kuq s HIS 48 CO -0.06 -0.19 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.95 2kuq s LEU 49 N 1.97 2.38 0.00 0.89 1.43 -1.26 -0.63 118.68 123.46 2kuq s LEU 49 Ca 0.21 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 2kuq s LEU 49 Cb -0.15 -1.51 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 2kuq s LEU 49 CO 0.09 0.14 1.81 -1.00 0.23 0.00 0.00 176.35 177.62 2kuq s HIS 50 N 0.48 1.67 -1.87 0.29 3.76 -1.26 -2.26 115.29 116.10 2kuq s HIS 50 Ca -0.12 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2kuq s HIS 50 Cb -0.17 -4.08 0.00 0.00 1.11 0.00 0.00 32.58 29.44 2kuq s HIS 50 CO 0.05 -4.71 0.00 0.54 -0.85 0.00 0.00 174.74 169.77 2kuq n ARG 51 N 7.21 -1.59 -4.32 1.40 3.00 -1.26 -4.98 116.66 116.11 2kuq n ARG 51 Ca 0.18 1.06 -0.17 0.00 -0.01 0.00 0.00 57.85 58.91 2kuq n ARG 51 Cb 0.42 -5.64 -0.10 0.00 0.00 0.00 0.00 32.46 27.14 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 -4.71 1.47 0.55 5.56 0.52 -0.96 -5.16 118.95 116.23 2kuq s ARG 52 Ca 0.00 -1.82 -0.19 0.00 -0.52 0.00 0.00 55.73 53.20 2kuq s ARG 52 Cb 0.00 -0.17 -0.06 0.00 0.52 0.00 0.00 34.95 35.24 2kuq s ARG 52 CO 0.00 -0.36 1.12 -1.21 0.02 0.00 0.00 175.30 174.86 2kuq s GLU 53 N -3.96 3.35 0.48 3.54 2.02 -1.26 -4.67 118.70 118.21 2kuq s GLU 53 Ca 0.37 1.55 -0.18 0.00 0.02 0.00 0.00 54.97 56.73 2kuq s GLU 53 Cb 0.07 -2.01 -0.09 0.00 0.10 0.00 0.00 34.13 32.19 2kuq s GLU 53 CO 0.15 -0.84 0.97 0.00 0.02 0.00 0.00 175.26 175.57 2kuq s ALA 54 N -1.87 3.05 -0.07 5.21 0.00 -1.26 -4.38 121.76 122.44 2kuq s ALA 54 Ca 0.71 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2kuq s ALA 54 Cb -0.22 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.77 2kuq s ALA 54 CO 0.28 -0.10 -0.15 0.08 0.00 0.00 0.00 175.76 175.87 2kuq s VAL 55 N -2.44 1.33 0.05 0.00 1.01 -0.26 -4.99 120.40 115.10 2kuq s VAL 55 Ca 0.60 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.05 2kuq s VAL 55 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2kuq s VAL 55 CO 0.24 0.40 -0.20 -0.13 0.00 0.00 0.00 175.10 175.41 2kuq s ARG 56 N 0.56 1.30 -0.15 2.72 0.52 -1.26 -0.56 118.95 122.08 2kuq s ARG 56 Ca -0.15 -0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 54.11 2kuq s ARG 56 Cb -0.16 -1.41 0.05 0.00 0.52 0.00 0.00 34.95 33.94 2kuq s ARG 56 CO 0.05 0.36 0.02 -1.58 0.02 0.00 0.00 175.30 174.16 2kuq s TRP 57 N -0.83 0.94 0.32 -0.53 0.51 -0.24 -4.26 118.94 114.85 2kuq s TRP 57 Ca 0.07 -0.63 -0.29 0.00 -2.12 0.00 0.00 56.10 53.13 2kuq s TRP 57 Cb -0.09 -0.97 -0.10 0.00 -0.81 0.00 0.00 33.47 31.50 2kuq s TRP 57 CO 0.02 -0.51 1.27 -1.25 -0.51 0.00 0.00 176.95 175.96 2kuq s PRO 58 N 1.89 4.41 0.50 4.98 0.04 -1.26 -1.22 135.00 144.34 2kuq s PRO 58 Ca 0.01 2.14 0.20 0.00 0.04 0.00 0.00 61.00 63.39 2kuq s PRO 58 Cb -0.15 -3.09 1.30 0.00 0.04 0.00 0.00 34.50 32.59 2kuq s PRO 58 CO -0.07 -0.11 2.09 1.88 0.04 0.00 0.00 177.00 180.83 2kuq h TYR 59 N 3.49 0.00 0.00 0.56 0.05 -1.94 -0.44 116.97 118.69 2kuq h TYR 59 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2kuq h TYR 59 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 2kuq h TYR 59 CO 0.56 0.10 0.00 1.37 -1.05 0.00 0.00 178.16 179.14 2kuq h LEU 60 N 0.00 0.00 -2.38 3.88 -0.00 -1.91 -2.57 115.31 112.33 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2kuq h LEU 60 CO 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.45 2kuq s LEU 62 N -1.41 4.37 0.14 0.00 1.43 -0.97 -0.84 118.68 121.40 2kuq s LEU 62 Ca 0.39 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 2kuq s LEU 62 Cb 0.23 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 2kuq s LEU 62 CO 0.31 -1.20 1.34 -0.09 0.23 0.00 0.00 176.35 176.93 2kuq h ARG 63 N 9.30 0.44 -2.99 1.70 9.65 -1.71 -3.35 114.38 127.43 2kuq h ARG 63 Ca -0.27 -0.43 -0.02 0.00 -1.10 0.00 0.00 59.98 58.16 2kuq h ARG 63 Cb 1.08 0.11 -0.12 0.00 -1.39 0.00 0.00 29.97 29.65 2kuq h ARG 63 CO 1.08 1.08 0.20 -0.98 2.80 0.00 0.00 179.97 184.15 2kuq s ARG 64 N -3.39 1.26 -0.01 0.20 1.70 -1.25 -2.69 118.95 114.78 2kuq s ARG 64 Ca -0.06 -0.46 -0.26 0.00 -0.47 0.00 0.00 55.73 54.48 2kuq s ARG 64 Cb 0.09 0.58 0.06 0.00 -0.57 0.00 0.00 34.95 35.11 2kuq s ARG 64 CO 0.86 -0.55 0.59 1.52 -1.08 0.00 0.00 175.30 176.65 2kuq s TYR 65 N -3.68 -0.54 0.14 5.89 -0.85 -0.46 -0.85 117.35 117.02 2kuq s TYR 65 Ca 0.01 0.82 -0.25 0.00 -0.52 0.00 0.00 57.07 57.12 2kuq s TYR 65 Cb -0.01 0.36 0.07 0.00 0.38 0.00 0.00 41.96 42.76 2kuq s TYR 65 CO -0.12 -0.60 0.99 0.20 -1.52 0.00 0.00 175.55 174.49 2kuq s GLY 66 N -1.48 -0.24 -0.12 5.49 0.00 0.04 -0.74 107.32 110.27 2kuq s GLY 66 Ca -0.09 0.16 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 2kuq s GLY 66 CO 0.05 0.04 0.42 -2.52 0.00 0.00 0.00 173.10 171.09 2kuq s TYR 67 N -3.20 -0.42 0.50 1.90 1.13 -1.24 -1.15 117.35 114.87 2kuq s TYR 67 Ca 0.13 0.96 0.04 0.00 -1.41 0.00 0.00 57.07 56.79 2kuq s TYR 67 Cb -0.01 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 41.01 2kuq s TYR 67 CO 0.02 -0.28 0.18 -0.51 -2.51 0.00 0.00 175.55 172.45 2kuq s ASP 68 N -0.18 4.35 0.12 -0.18 1.01 0.25 -3.76 116.67 118.28 2kuq s ASP 68 Ca -0.03 -1.38 0.08 0.00 0.71 0.00 0.00 52.55 51.92 2kuq s ASP 68 Cb -0.03 0.24 0.44 0.00 1.01 0.00 0.00 42.92 44.58 2kuq s ASP 68 CO 0.02 -0.86 1.25 -1.20 0.21 0.00 0.00 175.17 174.59 2kuq n SER 69 N -1.42 0.21 -0.33 0.27 7.64 -1.26 -2.73 113.62 115.99 2kuq n SER 69 Ca -0.09 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2kuq n SER 69 Cb 0.66 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.77 0.00 -3.73 6.43 0.23 -1.26 -4.84 115.26 110.31 2kuq n ASN 70 Ca -0.00 -1.26 -0.15 0.00 -0.53 0.00 0.00 54.58 52.64 2kuq n ASN 70 Cb 0.02 -0.05 -0.15 0.00 -2.08 0.00 0.00 39.78 37.52 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kuq s LEU 71 N 0.00 0.59 -0.12 -4.53 2.96 -1.11 -1.38 118.68 115.09 2kuq s LEU 71 Ca 0.00 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2kuq s LEU 71 Cb 0.00 0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.92 2kuq s LEU 71 CO 0.00 -0.17 -0.05 0.12 -1.32 0.00 0.00 176.35 174.93 2kuq s PHE 72 N 1.43 2.98 0.01 5.38 5.36 -0.26 -0.58 117.98 132.29 2kuq s PHE 72 Ca -0.06 -0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 55.65 2kuq s PHE 72 Cb -0.12 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.68 2kuq s PHE 72 CO -0.05 0.07 0.05 0.45 -1.46 0.00 0.00 175.22 174.28 2kuq s SER 73 N -0.03 0.13 0.09 6.13 0.15 -0.30 -1.07 113.70 118.81 2kuq s SER 73 Ca 0.00 -0.35 -0.13 0.00 0.70 0.00 0.00 55.95 56.18 2kuq s SER 73 Cb -0.13 0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 2kuq s SER 73 CO 0.03 -0.33 0.29 0.72 1.20 0.00 0.00 173.24 175.16 2kuq s PHE 74 N -1.39 -0.04 -0.14 3.44 -0.12 -0.96 -0.78 117.98 117.99 2kuq s PHE 74 Ca -0.15 -0.28 0.01 0.00 -0.05 0.00 0.00 56.93 56.46 2kuq s PHE 74 Cb -0.09 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 2kuq s PHE 74 CO 0.00 -0.59 -0.16 -2.00 -0.05 0.00 0.00 175.22 172.42 2kuq s GLU 75 N -3.54 3.21 0.02 1.99 2.12 -0.03 -1.67 118.70 120.81 2kuq s GLU 75 Ca 0.02 -0.76 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 2kuq s GLU 75 Cb 0.02 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 2kuq s GLU 75 CO -0.10 0.07 0.12 -1.54 -0.54 0.00 0.00 175.26 173.27 2kuq s SER 76 N 0.68 5.91 0.81 -1.70 1.04 -0.42 -2.02 113.70 117.99 2kuq s SER 76 Ca -0.08 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 2kuq s SER 76 Cb -0.16 -1.74 0.08 0.00 0.10 0.00 0.00 66.02 64.30 2kuq s SER 76 CO 0.02 0.24 1.13 -0.83 0.98 0.00 0.00 173.24 174.78 2kuq s GLY 77 N -1.99 1.60 0.00 7.32 0.00 -0.02 -3.39 107.32 110.85 2kuq s GLY 77 Ca 0.26 -0.43 0.16 0.00 0.00 0.00 0.00 44.72 44.72 2kuq s GLY 77 CO 0.18 0.03 1.42 -0.96 0.00 0.00 0.00 173.10 173.77 2kuq n ARG 78 N -3.40 0.64 -3.04 2.90 -4.01 -1.26 -3.67 116.66 104.81 2kuq n ARG 78 Ca 0.07 0.00 -0.29 0.00 -1.04 0.00 0.00 57.85 56.59 2kuq n ARG 78 Cb 0.58 -1.40 -0.04 0.00 -3.04 0.00 0.00 32.46 28.56 2kuq n ARG 78 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2kuq n ARG 79 N -0.90 3.32 -3.93 2.89 1.74 -1.26 -4.57 116.66 113.94 2kuq n ARG 79 Ca 0.12 -4.79 -0.10 0.00 -0.77 0.00 0.00 57.85 52.32 2kuq n ARG 79 Cb 0.06 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.20 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h GLN 81 N 2.10 0.65 -0.01 0.00 4.15 -1.95 -2.49 115.11 117.57 2kuq h GLN 81 Ca -0.27 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2kuq h GLN 81 Cb 1.25 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.79 2kuq h GLN 81 CO 0.35 0.43 -0.45 0.25 -1.93 0.00 0.00 178.83 177.48 2kuq n THR 82 N -4.47 0.00 -4.10 2.39 -2.24 -1.26 -5.09 114.28 99.51 2kuq n THR 82 Ca 0.08 -0.18 0.01 0.00 -2.27 0.00 0.00 64.05 61.68 2kuq n THR 82 Cb 0.16 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.40 -1.68 3.71 3.38 0.00 -0.94 -4.82 105.19 106.24 2kuq n GLY 83 Ca 0.10 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.11 4.35 -0.04 1.61 0.74 -1.24 -4.72 119.66 120.25 2kuq s GLN 84 Ca 0.00 1.95 -0.20 0.00 0.05 0.00 0.00 55.36 57.15 2kuq s GLN 84 Cb 0.00 -3.35 0.07 0.00 1.10 0.00 0.00 33.01 30.83 2kuq s GLN 84 CO 0.00 -0.40 0.92 0.41 -0.55 0.00 0.00 175.29 175.66 2kuq n GLY 85 N 3.43 0.27 3.22 2.59 0.00 -1.22 -5.00 105.19 108.48 2kuq n GLY 85 Ca 0.11 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.03 2.04 -0.10 -0.61 1.09 -1.25 -1.31 121.20 119.03 2kuq s ILE 86 Ca 0.22 -1.01 0.02 0.00 -1.10 0.00 0.00 60.65 58.78 2kuq s ILE 86 Cb -0.00 -1.76 0.01 0.00 -1.06 0.00 0.00 42.46 39.65 2kuq s ILE 86 CO -0.01 0.56 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.86 2kuq s PHE 87 N 0.30 2.05 -0.02 3.97 0.08 -0.67 -0.74 117.98 122.95 2kuq s PHE 87 Ca -0.18 -0.91 0.04 0.00 0.12 0.00 0.00 56.93 56.01 2kuq s PHE 87 Cb -0.18 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 2kuq s PHE 87 CO 0.08 -0.44 -0.15 0.00 -0.10 0.00 0.00 175.22 174.62 2kuq s ALA 88 N 0.77 1.27 -0.03 5.36 0.00 -1.26 -2.26 121.76 125.60 2kuq s ALA 88 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2kuq s ALA 88 Cb -0.16 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kuq s ALA 88 CO 0.02 0.29 -0.06 -0.06 0.00 0.00 0.00 175.76 175.95 2kuq s PHE 89 N -0.23 0.76 0.05 0.00 0.40 -0.23 -1.72 117.98 117.00 2kuq s PHE 89 Ca 0.03 -0.20 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 2kuq s PHE 89 Cb -0.07 -0.62 -0.05 0.00 0.51 0.00 0.00 43.02 42.80 2kuq s PHE 89 CO -0.00 -0.14 1.04 0.15 0.70 0.00 0.00 175.22 176.97 2kuq s LYS 90 N 0.57 4.56 -0.29 0.44 1.02 0.04 -1.11 119.74 124.97 2kuq s LYS 90 Ca -0.08 1.53 -0.18 0.00 0.02 0.00 0.00 55.97 57.26 2kuq s LYS 90 Cb -0.11 -3.40 0.15 0.00 -0.52 0.00 0.00 37.83 33.94 2kuq s LYS 90 CO 0.00 -0.04 1.04 0.00 -0.92 0.00 0.00 175.35 175.43 2kuq n SER 92 N 3.21 0.00 -0.43 0.00 3.41 -1.26 -3.06 113.62 115.48 2kuq n SER 92 Ca -0.17 0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.66 2kuq n SER 92 Cb 0.57 -0.33 0.16 0.00 -0.26 0.00 0.00 64.21 64.35 2kuq n SER 92 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kuq n ARG 93 N -1.33 1.29 -0.28 4.33 1.74 -1.26 -4.84 116.66 116.30 2kuq n ARG 93 Ca 0.07 -2.81 0.25 0.00 -0.77 0.00 0.00 57.85 54.59 2kuq n ARG 93 Cb 0.15 -1.42 0.60 0.00 -1.02 0.00 0.00 32.46 30.77 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 0.54 2.51 -0.78 7.54 0.00 -1.84 -0.17 119.26 127.07 2kuq h ALA 94 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kuq h ALA 94 Cb 1.07 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2kuq h ALA 94 CO 0.01 -0.85 0.42 1.49 0.00 0.00 0.00 179.25 180.32 2kuq h GLU 95 N 0.25 1.08 0.00 0.00 4.81 -1.88 -1.27 114.58 117.56 2kuq h GLU 95 Ca 0.53 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 59.45 2kuq h GLU 95 Cb 1.61 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 2kuq h GLU 95 CO -0.16 0.79 -0.84 0.93 -0.73 0.00 0.00 179.01 179.00 2kuq h GLU 96 N 1.08 0.09 -0.13 1.92 5.08 -1.43 -0.17 114.58 121.03 2kuq h GLU 96 Ca 0.27 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2kuq h GLU 96 Cb 0.03 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2kuq h GLU 96 CO -0.04 0.87 0.02 0.82 -1.00 0.00 0.00 179.01 179.68 2kuq h ILE 97 N 0.05 1.22 -0.34 3.13 2.04 -1.31 -0.76 117.51 121.53 2kuq h ILE 97 Ca -0.02 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.16 2kuq h ILE 97 Cb 1.46 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 2kuq h ILE 97 CO 0.12 0.20 0.21 0.15 0.00 0.00 0.00 178.15 178.83 2kuq h PHE 98 N -0.02 0.40 -0.13 1.37 3.57 -1.19 -0.42 116.94 120.52 2kuq h PHE 98 Ca 0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2kuq h PHE 98 Cb 0.29 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2kuq h PHE 98 CO 0.02 0.24 0.07 -0.91 -2.23 0.00 0.00 178.31 175.50 2kuq h ASN 99 N 0.43 0.17 -0.90 0.41 2.35 -1.01 -2.01 115.58 115.02 2kuq h ASN 99 Ca 0.13 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2kuq h ASN 99 Cb -0.02 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2kuq h ASN 99 CO -0.05 0.21 0.50 0.25 -1.65 0.00 0.00 177.43 176.69 2kuq h LEU 100 N 0.11 1.11 0.21 1.61 5.85 -1.02 -0.49 115.31 122.69 2kuq h LEU 100 Ca 0.05 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kuq h LEU 100 Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2kuq h LEU 100 CO -0.01 0.89 -0.14 0.25 -0.34 0.00 0.00 178.44 179.09 2kuq h LEU 101 N 1.25 -0.34 -1.04 2.25 5.85 -0.90 -1.21 115.31 121.16 2kuq h LEU 101 Ca 0.32 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.97 2kuq h LEU 101 Cb 0.01 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2kuq h LEU 101 CO -0.05 -0.22 -0.37 0.06 -0.34 0.00 0.00 178.44 177.52 2kuq h GLN 102 N -0.34 0.20 -0.64 1.25 3.07 -1.17 -1.49 115.11 116.00 2kuq h GLN 102 Ca -0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 58.65 58.58 2kuq h GLN 102 Cb 0.29 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 2kuq h GLN 102 CO 0.01 0.55 0.19 -0.44 0.09 0.00 0.00 178.83 179.23 2kuq h ASP 103 N 0.17 0.95 0.58 0.06 3.32 -0.90 0.21 116.42 120.80 2kuq h ASP 103 Ca 0.02 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 2kuq h ASP 103 Cb 0.74 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2kuq h ASP 103 CO 0.06 0.91 -0.68 -0.07 -1.72 0.00 0.00 179.24 177.74 2kuq h LEU 104 N 0.93 0.10 0.00 1.55 3.38 -1.08 -1.77 115.31 118.43 2kuq h LEU 104 Ca 0.21 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2kuq h LEU 104 Cb 0.31 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2kuq h LEU 104 CO -0.00 0.75 -0.57 0.24 0.09 0.00 0.00 178.44 178.94 2kuq h MET 105 N 0.06 0.00 0.13 1.13 2.86 -1.02 -3.27 114.93 114.82 2kuq h MET 105 Ca -0.01 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.33 2kuq h MET 105 Cb 1.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 2kuq h MET 105 CO 0.09 0.45 -1.48 -0.56 1.06 0.00 0.00 176.91 176.48 2kuq h GLN 106 N 0.00 0.27 -4.33 1.72 3.07 -0.99 -3.49 115.11 111.37 2kuq h GLN 106 Ca -0.02 -0.47 -0.37 0.00 0.09 0.00 0.00 58.65 57.89 2kuq h GLN 106 Cb 1.38 0.17 -0.00 0.00 0.08 0.00 0.00 27.48 29.11 2kuq h GLN 106 CO 0.06 1.16 -0.52 0.00 0.09 0.00 0.00 178.83 179.62 2kuq s ASN 108 N -2.45 2.18 0.00 0.00 0.01 -1.26 -5.06 114.94 108.36 2kuq s ASN 108 Ca 0.21 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 2kuq s ASN 108 Cb -0.10 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.38 2kuq s ASN 108 CO 0.26 0.13 0.71 -1.54 -1.51 0.00 0.00 177.10 175.15 2kuq n SER 109 N 1.98 1.93 -4.57 -1.22 3.41 -1.26 -4.83 113.62 109.06 2kuq n SER 109 Ca -0.17 -1.86 -0.43 0.00 -0.26 0.00 0.00 58.87 56.15 2kuq n SER 109 Cb 0.54 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2kuq n SER 109 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kuq s ILE 110 N -0.43 4.23 0.37 -1.33 1.01 -1.26 -5.03 121.20 118.76 2kuq s ILE 110 Ca 0.00 0.88 -0.26 0.00 0.00 0.00 0.00 60.65 61.27 2kuq s ILE 110 Cb 0.00 -4.60 -0.09 0.00 0.01 0.00 0.00 42.46 37.78 2kuq s ILE 110 CO 0.00 -1.09 1.10 0.54 0.00 0.00 0.00 174.94 175.49 2kuq s ASN 111 N 2.62 6.81 0.44 3.58 4.22 -1.26 -5.09 114.94 126.27 2kuq s ASN 111 Ca 0.41 2.20 0.04 0.00 -2.14 0.00 0.00 52.86 53.37 2kuq s ASN 111 Cb -0.09 -2.61 0.01 0.00 1.28 0.00 0.00 41.25 39.85 2kuq s ASN 111 CO 0.27 -0.46 0.62 0.68 -2.04 0.00 0.00 177.10 176.17 2kuq s VAL 112 N -1.45 3.44 0.04 3.54 -7.23 -1.26 -5.06 120.40 112.43 2kuq s VAL 112 Ca 0.54 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.63 2kuq s VAL 112 Cb -0.27 -3.23 -0.09 0.00 0.56 0.00 0.00 36.38 33.35 2kuq s VAL 112 CO 0.35 -0.13 1.97 -0.04 -0.31 0.00 0.00 175.10 176.94 2kuq s MET 113 N -4.47 4.14 -1.45 4.82 -1.94 -1.26 -4.90 119.30 114.25 2kuq s MET 113 Ca 0.51 2.62 -0.10 0.00 -1.71 0.00 0.00 55.69 57.01 2kuq s MET 113 Cb -0.10 -4.15 0.04 0.00 2.01 0.00 0.00 34.83 32.64 2kuq s MET 113 CO 0.35 -0.95 2.44 -1.91 -0.01 0.00 0.00 175.02 174.94 2kuq n GLU 114 N 7.48 3.67 -2.25 2.03 2.13 -1.26 -4.98 120.64 127.47 2kuq n GLU 114 Ca 0.20 -2.84 -0.34 0.00 0.66 0.00 0.00 57.16 54.84 2kuq n GLU 114 Cb 0.41 -2.91 -0.00 0.00 0.27 0.00 0.00 31.44 29.20 2kuq n GLU 114 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2kuq s GLU 115 N 1.34 3.46 0.41 5.31 -1.05 -1.26 -5.04 118.70 121.87 2kuq s GLU 115 Ca 0.55 1.36 -0.23 0.00 -0.15 0.00 0.00 54.97 56.50 2kuq s GLU 115 Cb 0.15 -2.04 -0.09 0.00 -0.44 0.00 0.00 34.13 31.71 2kuq s GLU 115 CO -0.06 -0.72 1.03 -1.25 0.95 0.00 0.00 175.26 175.20 2kuq s PRO 116 N -3.60 4.17 -0.02 -4.83 0.04 -1.26 -5.03 135.00 124.47 2kuq s PRO 116 Ca 0.67 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 2kuq s PRO 116 Cb -0.18 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.86 2kuq s PRO 116 CO 0.29 -0.12 0.91 0.08 0.04 0.00 0.00 177.00 178.20 2kuq s VAL 117 N -1.76 4.91 -0.11 -0.36 1.01 -1.26 -5.06 120.40 117.78 2kuq s VAL 117 Ca 0.59 1.91 0.03 0.00 0.00 0.00 0.00 61.98 64.51 2kuq s VAL 117 Cb -0.19 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2kuq s VAL 117 CO 0.24 0.18 -0.22 -0.63 0.00 0.00 0.00 175.10 174.68 2kuq s ILE 118 N 0.95 1.93 -0.06 2.22 -1.09 -1.26 -5.13 121.20 118.77 2kuq s ILE 118 Ca 0.49 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 2kuq s ILE 118 Cb -0.20 -1.69 0.02 0.00 -1.58 0.00 0.00 42.46 39.01 2kuq s ILE 118 CO 0.26 0.53 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.80 2kuq s ILE 119 N 0.51 0.71 -0.28 2.92 1.01 -1.26 -5.12 121.20 119.69 2kuq s ILE 119 Ca -0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2kuq s ILE 119 Cb -0.17 -0.72 0.09 0.00 0.01 0.00 0.00 42.46 41.68 2kuq s ILE 119 CO 0.06 0.27 0.11 0.42 0.00 0.00 0.00 174.94 175.79 2kuq s THR 120 N 0.99 0.27 0.03 2.92 -4.23 -1.26 -5.12 115.64 109.25 2kuq s THR 120 Ca -0.10 -0.88 -0.28 0.00 -1.18 0.00 0.00 61.69 59.25 2kuq s THR 120 Cb -0.14 -1.16 0.09 0.00 1.34 0.00 0.00 72.50 72.64 2kuq s THR 120 CO -0.00 -0.63 1.02 -0.94 -0.54 0.00 0.00 174.62 173.54 2kuq s SER 121 N 1.94 -0.21 0.00 3.99 1.04 -1.26 -5.19 113.70 114.00 2kuq s SER 121 Ca 0.08 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2kuq s SER 121 Cb -0.16 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2kuq s SER 121 CO -0.28 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2kuq n GLY 122 N -0.35 1.45 2.92 7.32 0.00 -1.26 -5.15 105.19 110.12 2kuq n GLY 122 Ca -0.07 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 123 N -1.00 -0.07 0.37 1.61 0.01 -1.26 -5.18 113.70 108.19 2kuq s SER 123 Ca 0.00 0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.44 2kuq s SER 123 Cb 0.00 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.34 2kuq s SER 123 CO 0.00 -0.06 0.57 -0.94 0.41 0.00 0.00 173.24 173.22 2kuq s SER 124 N 0.35 6.08 0.98 2.44 1.04 -1.26 -5.13 113.70 118.20 2kuq s SER 124 Ca -0.03 0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 2kuq s SER 124 Cb -0.04 -1.72 0.21 0.00 0.10 0.00 0.00 66.02 64.58 2kuq s SER 124 CO -0.01 -0.44 1.27 0.61 0.98 0.00 0.00 173.24 175.65 2kuq n GLY 125 N -1.84 -1.34 3.69 7.32 0.00 -1.26 -5.02 105.19 106.74 2kuq n GLY 125 Ca -0.02 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2kuq n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 126 N -5.68 6.66 0.17 1.61 0.15 -1.26 -4.97 113.70 110.38 2kuq s SER 126 Ca 0.73 2.40 -0.24 0.00 0.70 0.00 0.00 55.95 59.53 2kuq s SER 126 Cb -0.02 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.79 2kuq s SER 126 CO 0.51 -0.85 0.94 -0.55 1.20 0.00 0.00 173.24 174.49 2kuq s SER 127 N 2.29 -0.17 0.00 5.45 0.15 -1.26 -5.19 113.70 114.97 2kuq s SER 127 Ca 0.72 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2kuq s SER 127 Cb -0.38 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2kuq s SER 127 CO 0.31 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2kuq n GLY 128 N -0.49 -0.36 2.30 9.45 0.00 -1.26 -5.18 105.19 109.65 2kuq n GLY 128 Ca -0.06 -1.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 2kuq n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 129 N 0.00 -1.32 -3.59 1.61 2.88 -1.26 -5.05 113.62 106.89 2kuq n SER 129 Ca 0.00 -1.88 -0.15 0.00 -1.33 0.00 0.00 58.87 55.51 2kuq n SER 129 Cb 0.00 2.20 -0.07 0.00 -0.75 0.00 0.00 64.21 65.59 2kuq n SER 129 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kuq s SER 130 N -2.31 -0.69 0.00 -3.46 0.15 -1.26 -5.09 113.70 101.05 2kuq s SER 130 Ca 0.11 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.87 2kuq s SER 130 Cb -0.03 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2kuq s SER 130 CO 0.06 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2kuq n GLY 131 N 1.93 -0.16 1.11 9.45 0.00 -1.26 -5.02 105.19 111.24 2kuq n GLY 131 Ca -0.16 -1.19 0.01 0.00 0.00 0.00 0.00 46.02 44.69 2kuq n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kuq n SER 132 N 0.00 0.41 0.29 1.61 7.64 -1.26 -4.97 113.62 117.34 2kuq n SER 132 Ca 0.00 -1.94 0.17 0.00 1.01 0.00 0.00 58.87 58.11 2kuq n SER 132 Cb 0.00 -0.18 0.85 0.00 -1.01 0.00 0.00 64.21 63.87 2kuq n SER 132 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kuq h SER 133 N 0.54 0.00 -2.30 6.43 0.02 -1.96 -3.49 113.55 112.80 2kuq h SER 133 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2kuq h SER 133 Cb 1.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2kuq h SER 133 CO 0.02 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 2kuq n GLY 134 N -0.57 -1.49 3.76 -3.77 0.00 -1.26 -4.86 105.19 97.00 2kuq n GLY 134 Ca -0.01 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 4.37 -0.16 0.99 2.01 -1.26 -4.75 118.68 119.89 2kuq s LEU 135 Ca 0.00 2.79 0.00 0.00 0.01 0.00 0.00 54.13 56.93 2kuq s LEU 135 Cb 0.00 -3.64 -0.00 0.00 0.01 0.00 0.00 46.19 42.56 2kuq s LEU 135 CO 0.00 -0.74 -0.16 0.12 1.01 0.00 0.00 176.35 176.58 2kuq s PHE 136 N -0.42 2.78 -0.39 0.29 2.19 -1.26 -5.10 117.98 116.07 2kuq s PHE 136 Ca 0.57 -1.07 -0.28 0.00 0.33 0.00 0.00 56.93 56.48 2kuq s PHE 136 Cb -0.43 -1.89 0.02 0.00 -1.31 0.00 0.00 43.02 39.41 2kuq s PHE 136 CO 0.49 -0.49 1.07 1.03 1.83 0.00 0.00 175.22 179.16 2kuq s ARG 137 N 0.83 3.90 0.35 10.12 3.00 -1.26 -4.52 118.95 131.38 2kuq s ARG 137 Ca -0.05 0.80 -0.26 0.00 0.00 0.00 0.00 55.73 56.21 2kuq s ARG 137 Cb -0.15 -3.81 -0.09 0.00 0.00 0.00 0.00 34.95 30.89 2kuq s ARG 137 CO -0.00 -1.09 1.08 -0.51 0.00 0.00 0.00 175.30 174.78 2kuq s LEU 138 N 3.91 4.31 0.28 2.53 1.43 0.08 -4.89 118.68 126.33 2kuq s LEU 138 Ca 0.45 2.17 0.10 0.00 -1.03 0.00 0.00 54.13 55.82 2kuq s LEU 138 Cb -0.10 -3.94 0.40 0.00 0.03 0.00 0.00 46.19 42.58 2kuq s LEU 138 CO 0.22 -0.38 1.64 0.03 0.23 0.00 0.00 176.35 178.09 2kuq h ARG 139 N 3.03 0.02 -4.17 1.70 3.08 -1.96 -3.33 114.38 112.75 2kuq h ARG 139 Ca -0.48 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.42 2kuq h ARG 139 Cb 1.22 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.10 2kuq h ARG 139 CO 0.64 0.59 -0.69 -1.01 -1.07 0.00 0.00 179.97 178.44 2kuq s HIS 140 N -3.71 0.45 -0.09 3.04 3.76 -1.26 -5.03 115.29 112.45 2kuq s HIS 140 Ca -0.02 -0.92 -0.30 0.00 -0.15 0.00 0.00 55.06 53.68 2kuq s HIS 140 Cb 0.13 -0.34 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 2kuq s HIS 140 CO 0.76 -0.33 1.15 0.12 -0.85 0.00 0.00 174.74 175.59 2kuq s PHE 141 N -3.24 3.25 -0.04 1.40 5.36 -1.26 -4.97 117.98 118.48 2kuq s PHE 141 Ca 0.01 1.31 -0.05 0.00 -0.96 0.00 0.00 56.93 57.24 2kuq s PHE 141 Cb 0.03 -3.36 -0.28 0.00 -0.34 0.00 0.00 43.02 39.07 2kuq s PHE 141 CO -0.07 -1.01 0.69 -1.00 -1.46 0.00 0.00 175.22 172.36 2kuq h PRO 142 N 7.44 0.27 -7.00 10.12 0.13 -1.99 -3.48 132.00 137.49 2kuq h PRO 142 Ca -0.32 -0.47 -0.46 0.00 -0.87 0.00 0.00 66.00 63.89 2kuq h PRO 142 Cb 1.14 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2kuq h PRO 142 CO 0.89 1.14 0.35 0.00 -0.23 0.00 0.00 178.00 180.15 2kuq h GLY 144 N 2.29 0.47 -5.56 0.00 0.00 -1.93 -3.41 103.07 94.94 2kuq h GLY 144 Ca -0.48 -1.19 -0.70 0.00 0.00 0.00 0.00 47.33 44.95 2kuq h GLY 144 CO 0.62 1.05 3.27 0.70 0.00 0.00 0.00 176.54 182.18 2kuq n ASN 145 N -3.87 6.66 -4.74 0.19 3.02 -1.25 -4.96 115.26 110.32 2kuq n ASN 145 Ca -0.18 -2.78 -0.41 0.00 -0.03 0.00 0.00 54.58 51.18 2kuq n ASN 145 Cb 0.98 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 2kuq n ASN 145 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kuq s VAL 146 N 1.96 3.06 0.07 2.41 1.01 -1.26 -3.73 120.40 123.92 2kuq s VAL 146 Ca 0.57 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.45 2kuq s VAL 146 Cb 0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2kuq s VAL 146 CO -0.07 0.13 -0.07 0.21 0.00 0.00 0.00 175.10 175.30 2kuq s ASN 147 N 0.38 1.03 -0.00 3.32 2.47 0.08 -4.99 114.94 117.23 2kuq s ASN 147 Ca 0.58 -0.78 0.02 0.00 0.42 0.00 0.00 52.86 53.10 2kuq s ASN 147 Cb -0.38 0.06 -0.03 0.00 -1.45 0.00 0.00 41.25 39.45 2kuq s ASN 147 CO 0.39 -0.33 -0.04 -0.31 -3.72 0.00 0.00 177.10 173.09 2kuq s TYR 148 N -2.51 2.97 0.00 0.43 2.02 -1.26 -1.35 117.35 117.65 2kuq s TYR 148 Ca 0.01 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 2kuq s TYR 148 Cb -0.02 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 2kuq s TYR 148 CO -0.02 0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.78 2kuq n GLY 149 N 1.54 1.06 3.74 0.71 0.00 -1.09 -4.97 105.19 106.18 2kuq n GLY 149 Ca -0.15 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 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 1.97 2.25 0.13 1.61 1.51 -1.26 -5.06 117.35 118.52 2kuq s TYR 150 Ca 0.00 1.48 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 2kuq s TYR 150 Cb 0.00 -3.62 -0.04 0.00 -0.11 0.00 0.00 41.96 38.18 2kuq s TYR 150 CO 0.00 -2.61 0.01 -0.65 -1.11 0.00 0.00 175.55 171.19 2kuq s GLN 151 N -3.26 0.93 -0.31 -0.62 -0.21 -1.26 -4.96 119.66 109.97 2kuq s GLN 151 Ca 0.78 -1.42 0.13 0.00 0.02 0.00 0.00 55.36 54.87 2kuq s GLN 151 Cb -0.35 0.02 0.47 0.00 1.00 0.00 0.00 33.01 34.15 2kuq s GLN 151 CO 0.38 -0.17 1.12 1.04 -2.12 0.00 0.00 175.29 175.55 2kuq n GLN 152 N -0.11 2.71 0.00 2.91 6.02 -1.26 -5.25 117.38 122.41 2kuq n GLN 152 Ca -0.08 -3.91 0.03 0.00 -0.01 0.00 0.00 57.00 53.04 2kuq n GLN 152 Cb 0.63 -1.94 0.21 0.00 1.02 0.00 0.00 30.24 30.15 2kuq n GLN 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05