#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 0.02 -0.19 1.61 0.15 -1.26 -5.20 113.70 108.83 2kuq s SER 2 Ca 0.00 -0.95 -0.27 0.00 0.70 0.00 0.00 55.95 55.43 2kuq s SER 2 Cb 0.00 0.69 0.08 0.00 -1.71 0.00 0.00 66.02 65.08 2kuq s SER 2 CO 0.00 -1.38 0.74 -0.55 1.20 0.00 0.00 173.24 173.25 2kuq s SER 3 N -3.25 -0.68 -0.23 5.45 0.15 -1.26 -5.19 113.70 108.69 2kuq s SER 3 Ca 0.19 1.12 -0.29 0.00 0.70 0.00 0.00 55.95 57.67 2kuq s SER 3 Cb -0.04 1.06 0.16 0.00 -1.71 0.00 0.00 66.02 65.49 2kuq s SER 3 CO 0.09 -0.37 1.18 -0.83 1.20 0.00 0.00 173.24 174.51 2kuq s GLY 4 N -0.22 -0.06 0.25 9.45 0.00 -1.26 -4.98 107.32 110.50 2kuq s GLY 4 Ca -0.04 2.55 -0.18 0.00 0.00 0.00 0.00 44.72 47.06 2kuq s GLY 4 CO 0.03 1.25 0.60 -0.56 0.00 0.00 0.00 173.10 174.43 2kuq s SER 5 N -0.80 -0.21 -0.10 1.64 0.01 -1.26 -5.17 113.70 107.81 2kuq s SER 5 Ca 0.04 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.62 2kuq s SER 5 Cb -0.02 0.65 0.02 0.00 0.21 0.00 0.00 66.02 66.88 2kuq s SER 5 CO -0.05 -1.22 -0.13 -0.44 0.41 0.00 0.00 173.24 171.82 2kuq s SER 6 N -2.94 2.22 -0.79 2.44 0.01 -1.26 -5.01 113.70 108.36 2kuq s SER 6 Ca 0.14 -0.37 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 2kuq s SER 6 Cb -0.03 -0.97 0.18 0.00 0.21 0.00 0.00 66.02 65.41 2kuq s SER 6 CO 0.06 -0.01 0.81 -0.83 0.41 0.00 0.00 173.24 173.67 2kuq s GLY 7 N 1.10 2.34 -0.18 3.44 0.00 -1.26 -5.04 107.32 107.72 2kuq s GLY 7 Ca -0.05 -2.99 -0.29 0.00 0.00 0.00 0.00 44.72 41.38 2kuq s GLY 7 CO -0.02 1.46 1.60 -2.27 0.00 0.00 0.00 173.10 173.86 2kuq s LEU 8 N 1.16 4.01 0.26 0.66 1.98 -1.26 -4.49 118.68 121.00 2kuq s LEU 8 Ca 0.19 1.76 0.09 0.00 -2.89 0.00 0.00 54.13 53.28 2kuq s LEU 8 Cb -0.13 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.15 2kuq s LEU 8 CO -0.06 -1.14 0.01 0.21 -1.89 0.00 0.00 176.35 173.47 2kuq s ASN 9 N 3.86 4.63 0.51 3.68 3.84 -1.26 -5.04 114.94 125.16 2kuq s ASN 9 Ca 0.71 -0.59 0.22 0.00 0.21 0.00 0.00 52.86 53.40 2kuq s ASN 9 Cb -0.26 -0.90 1.37 0.00 -0.55 0.00 0.00 41.25 40.91 2kuq s ASN 9 CO 0.28 0.01 2.10 0.03 -2.79 0.00 0.00 177.10 176.73 2kuq h ARG 10 N 1.94 0.00 -6.40 0.43 3.08 -1.96 -3.41 114.38 108.06 2kuq h ARG 10 Ca -0.45 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.07 2kuq h ARG 10 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 2kuq h ARG 10 CO 0.60 0.10 0.18 -0.51 -1.07 0.00 0.00 179.97 179.27 2kuq s ASP 11 N -6.54 7.30 -1.12 7.04 1.01 -1.26 -4.99 116.67 118.10 2kuq s ASP 11 Ca -0.04 1.54 -0.13 0.00 0.71 0.00 0.00 52.55 54.64 2kuq s ASP 11 Cb 0.15 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 2kuq s ASP 11 CO 0.62 0.07 2.25 -1.20 0.21 0.00 0.00 175.17 177.12 2kuq n SER 12 N 2.40 4.77 -3.72 0.27 7.64 -1.26 -4.82 113.62 118.90 2kuq n SER 12 Ca -0.03 -2.58 -0.12 0.00 1.01 0.00 0.00 58.87 57.15 2kuq n SER 12 Cb 0.50 -1.31 -0.11 0.00 -1.01 0.00 0.00 64.21 62.28 2kuq n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kuq s VAL 13 N 3.58 -0.01 0.41 0.44 0.11 -1.26 -5.16 120.40 118.50 2kuq s VAL 13 Ca 0.52 0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 59.37 2kuq s VAL 13 Cb 0.14 -0.56 -0.09 0.00 -1.53 0.00 0.00 36.38 34.34 2kuq s VAL 13 CO -0.01 0.02 1.10 -2.16 -3.33 0.00 0.00 175.10 170.72 2kuq s PRO 14 N 0.65 4.07 0.00 1.54 0.04 -1.26 -4.70 135.00 135.35 2kuq s PRO 14 Ca -0.04 1.64 0.19 0.00 0.04 0.00 0.00 61.00 62.84 2kuq s PRO 14 Cb -0.05 -2.57 1.08 0.00 0.04 0.00 0.00 34.50 33.00 2kuq s PRO 14 CO -0.04 -0.25 1.57 -0.40 0.04 0.00 0.00 177.00 177.92 2kuq n ASP 15 N -0.08 0.00 -0.07 6.66 5.75 -1.26 -3.04 116.55 124.51 2kuq n ASP 15 Ca 0.05 -0.32 0.05 0.00 -0.01 0.00 0.00 54.79 54.56 2kuq n ASP 15 Cb 0.48 -0.13 0.08 0.00 -1.03 0.00 0.00 41.12 40.52 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 -1.13 1.99 -4.57 -1.12 6.94 -1.26 -5.04 115.26 111.06 2kuq n ASN 16 Ca 0.12 -2.56 -0.49 0.00 -0.02 0.00 0.00 54.58 51.63 2kuq n ASN 16 Cb 0.11 -0.25 -0.04 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 -0.96 1.23 0.32 -2.53 -0.00 -1.17 -4.90 115.22 107.21 2kuq n HIS 17 Ca 0.09 0.70 0.15 0.00 0.46 0.00 0.00 57.72 59.12 2kuq n HIS 17 Cb 0.50 -2.27 0.65 0.00 -0.12 0.00 0.00 29.99 28.76 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 3.29 0.00 0.00 1.57 0.13 -1.99 -3.40 132.00 131.61 2kuq h PRO 18 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.70 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 176.10 2kuq n THR 19 N -2.72 0.00 -2.77 1.56 5.66 -1.26 -5.06 114.28 109.70 2kuq n THR 19 Ca 0.01 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.59 2kuq n THR 19 Cb 0.24 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.99 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 -0.71 4.49 -0.07 1.09 1.02 -1.26 -3.76 119.74 120.54 2kuq s LYS 20 Ca 0.00 1.31 -0.00 0.00 0.02 0.00 0.00 55.97 57.29 2kuq s LYS 20 Cb 0.00 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2kuq s LYS 20 CO 0.00 -0.11 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.23 2kuq s PHE 21 N 1.28 0.83 0.02 3.18 0.08 -0.11 -4.68 117.98 118.58 2kuq s PHE 21 Ca 0.48 -0.27 -0.30 0.00 0.12 0.00 0.00 56.93 56.96 2kuq s PHE 21 Cb -0.20 -0.83 -0.07 0.00 -0.57 0.00 0.00 43.02 41.36 2kuq s PHE 21 CO 0.23 -0.31 1.55 0.15 -0.10 0.00 0.00 175.22 176.73 2kuq s LYS 22 N 1.59 4.23 0.10 0.44 3.01 -1.26 -0.67 119.74 127.18 2kuq s LYS 22 Ca -0.00 2.15 0.04 0.00 -1.01 0.00 0.00 55.97 57.15 2kuq s LYS 22 Cb -0.13 -3.65 -0.04 0.00 -1.01 0.00 0.00 37.83 33.01 2kuq s LYS 22 CO -0.04 -0.69 -0.11 0.14 0.51 0.00 0.00 175.35 175.16 2kuq s VAL 23 N 2.75 1.04 -0.07 3.17 -7.23 -0.10 -4.74 120.40 115.22 2kuq s VAL 23 Ca 0.69 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2kuq s VAL 23 Cb -0.35 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.22 2kuq s VAL 23 CO 0.29 -0.52 0.01 -0.89 -0.31 0.00 0.00 175.10 173.69 2kuq s THR 24 N -2.34 0.32 0.41 5.32 2.01 -0.96 -0.83 115.64 119.56 2kuq s THR 24 Ca 0.06 0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.94 2kuq s THR 24 Cb -0.04 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.88 2kuq s THR 24 CO 0.01 0.22 1.20 0.21 -0.69 0.00 0.00 174.62 175.57 2kuq s ASN 25 N 1.99 6.43 0.04 3.53 3.84 -0.77 -0.84 114.94 129.17 2kuq s ASN 25 Ca 0.05 2.42 0.02 0.00 0.21 0.00 0.00 52.86 55.55 2kuq s ASN 25 Cb -0.12 -2.62 -0.02 0.00 -0.55 0.00 0.00 41.25 37.93 2kuq s ASN 25 CO -0.05 -0.74 -0.07 0.68 -2.79 0.00 0.00 177.10 174.13 2kuq s VAL 26 N -1.38 0.47 1.22 -5.21 -7.23 -0.75 -1.59 120.40 105.93 2kuq s VAL 26 Ca 0.58 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 59.53 2kuq s VAL 26 Cb -0.32 -0.55 0.29 0.00 0.56 0.00 0.00 36.38 36.36 2kuq s VAL 26 CO 0.41 -0.38 1.06 -1.81 -0.31 0.00 0.00 175.10 174.06 2kuq s ASP 27 N -1.52 0.71 0.63 4.85 1.11 -1.19 -4.68 116.67 116.58 2kuq s ASP 27 Ca -0.10 0.84 0.37 0.00 0.18 0.00 0.00 52.55 53.84 2kuq s ASP 27 Cb -0.10 -1.22 2.14 0.00 1.07 0.00 0.00 42.92 44.81 2kuq s ASP 27 CO 0.00 -4.28 2.32 -0.78 1.18 0.00 0.00 175.17 173.61 2kuq h ASP 28 N -2.68 0.00 0.01 0.27 3.58 -1.96 -1.08 116.42 114.57 2kuq h ASP 28 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kuq h ASP 28 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2kuq h ASP 28 CO 0.38 0.00 -0.03 -0.62 -2.88 0.00 0.00 179.24 176.09 2kuq n GLU 29 N -3.46 1.56 -0.99 0.28 1.02 -1.26 -4.97 120.64 112.82 2kuq n GLU 29 Ca -0.03 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 2kuq n GLU 29 Cb 0.08 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.19 0.56 3.73 0.62 0.00 -0.41 -5.02 105.19 105.86 2kuq n GLY 30 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.23 3.76 -0.16 1.61 1.01 -1.26 -4.78 120.40 118.35 2kuq s VAL 31 Ca 0.00 1.43 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 2kuq s VAL 31 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2kuq s VAL 31 CO 0.00 0.20 1.57 -1.61 0.00 0.00 0.00 175.10 175.27 2kuq s GLU 32 N 0.05 3.99 -0.17 2.72 2.02 -1.26 -3.14 118.70 122.91 2kuq s GLU 32 Ca 0.53 1.84 -0.14 0.00 0.02 0.00 0.00 54.97 57.23 2kuq s GLU 32 Cb -0.31 -3.98 -0.07 0.00 0.10 0.00 0.00 34.13 29.87 2kuq s GLU 32 CO 0.34 -1.05 -0.18 1.28 0.02 0.00 0.00 175.26 175.67 2kuq n LEU 33 N 7.72 1.86 -3.60 1.80 4.77 -0.62 -5.04 117.00 123.89 2kuq n LEU 33 Ca 0.17 0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 56.51 2kuq n LEU 33 Cb 0.44 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 2kuq n LEU 33 CO 0.63 -0.22 0.42 -0.83 -1.33 0.00 0.00 177.39 176.05 2kuq s GLY 34 N -4.61 -0.54 0.31 -0.72 0.00 -1.25 -4.71 107.32 95.79 2kuq s GLY 34 Ca -0.23 1.81 -0.03 0.00 0.00 0.00 0.00 44.72 46.28 2kuq s GLY 34 CO 0.35 1.52 0.55 -1.35 0.00 0.00 0.00 173.10 174.16 2kuq s SER 35 N -0.05 6.37 0.23 1.64 1.04 -1.26 -1.84 113.70 119.83 2kuq s SER 35 Ca -0.03 0.60 -0.22 0.00 0.48 0.00 0.00 55.95 56.78 2kuq s SER 35 Cb -0.04 -2.10 0.05 0.00 0.10 0.00 0.00 66.02 64.04 2kuq s SER 35 CO 0.03 -0.24 0.88 -0.83 0.98 0.00 0.00 173.24 174.06 2kuq s GLY 36 N -3.54 -0.04 -0.35 7.32 0.00 -0.01 -4.41 107.32 106.29 2kuq s GLY 36 Ca 0.42 -0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.87 2kuq s GLY 36 CO 0.33 0.29 0.12 0.14 0.00 0.00 0.00 173.10 173.97 2kuq s VAL 37 N -3.13 3.63 0.25 1.40 1.01 -0.24 -0.93 120.40 122.39 2kuq s VAL 37 Ca 0.14 -1.32 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 2kuq s VAL 37 Cb -0.03 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 2kuq s VAL 37 CO 0.06 -0.26 0.92 -0.32 0.00 0.00 0.00 175.10 175.49 2kuq s MET 38 N 1.35 4.76 -0.09 2.72 0.00 0.15 -1.13 119.30 127.05 2kuq s MET 38 Ca -0.01 1.41 -0.05 0.00 0.00 0.00 0.00 55.69 57.04 2kuq s MET 38 Cb -0.20 -3.17 0.04 0.00 0.00 0.00 0.00 34.83 31.50 2kuq s MET 38 CO 0.01 0.47 0.21 -2.00 0.00 0.00 0.00 175.02 173.71 2kuq s GLU 39 N -1.38 0.19 -0.21 4.11 2.12 0.17 -0.94 118.70 122.75 2kuq s GLU 39 Ca 0.42 0.43 0.01 0.00 0.36 0.00 0.00 54.97 56.19 2kuq s GLU 39 Cb -0.24 -0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.10 2kuq s GLU 39 CO 0.29 -0.13 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.23 2kuq s LEU 40 N 0.95 2.67 0.49 2.70 1.02 -1.25 -0.22 118.68 125.04 2kuq s LEU 40 Ca -0.07 -0.85 0.08 0.00 0.02 0.00 0.00 54.13 53.31 2kuq s LEU 40 Cb -0.08 -1.54 0.03 0.00 0.02 0.00 0.00 46.19 44.61 2kuq s LEU 40 CO -0.06 -0.07 0.54 0.42 0.02 0.00 0.00 176.35 177.21 2kuq s THR 41 N 1.26 2.38 -2.00 5.49 -4.23 -0.66 -4.97 115.64 112.91 2kuq s THR 41 Ca 0.01 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 2kuq s THR 41 Cb -0.15 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2kuq s THR 41 CO -0.09 0.00 0.69 0.00 -0.54 0.00 0.00 174.62 174.68 2kuq n GLN 42 N -1.86 0.56 0.00 3.99 6.02 -1.26 -3.78 117.38 121.05 2kuq n GLN 42 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2kuq n GLN 42 Cb 0.62 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.81 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 -0.57 2.29 -3.61 1.08 7.64 -1.26 -5.07 113.62 114.13 2kuq n SER 43 Ca 0.02 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.84 2kuq n SER 43 Cb 0.01 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.60 1.61 -0.03 1.43 1.03 -1.25 -4.38 118.70 115.52 2kuq s GLU 44 Ca 0.00 -0.94 -0.26 0.00 0.03 0.00 0.00 54.97 53.80 2kuq s GLU 44 Cb 0.00 0.52 -0.04 0.00 -0.80 0.00 0.00 34.13 33.81 2kuq s GLU 44 CO 0.00 -0.74 0.80 -1.17 -1.33 0.00 0.00 175.26 172.82 2kuq s LEU 45 N -3.01 4.36 0.08 1.83 0.20 -0.50 -1.66 118.68 119.98 2kuq s LEU 45 Ca 0.13 1.38 0.07 0.00 0.69 0.00 0.00 54.13 56.41 2kuq s LEU 45 Cb -0.04 -3.26 -0.03 0.00 -0.43 0.00 0.00 46.19 42.43 2kuq s LEU 45 CO 0.06 -0.14 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.09 2kuq s VAL 46 N 0.73 1.58 -0.14 1.68 1.01 0.69 -1.21 120.40 124.73 2kuq s VAL 46 Ca 0.42 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 2kuq s VAL 46 Cb -0.19 -1.42 0.07 0.00 0.00 0.00 0.00 36.38 34.83 2kuq s VAL 46 CO 0.22 -0.00 0.20 -0.22 0.00 0.00 0.00 175.10 175.29 2kuq s LEU 47 N -1.63 -0.10 -0.17 3.92 0.20 0.23 -0.66 118.68 120.48 2kuq s LEU 47 Ca 0.05 0.09 -0.18 0.00 0.69 0.00 0.00 54.13 54.78 2kuq s LEU 47 Cb -0.09 0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.98 2kuq s LEU 47 CO 0.03 -0.28 0.50 -1.00 -0.29 0.00 0.00 176.35 175.31 2kuq s HIS 48 N 2.32 3.43 -0.04 5.38 3.76 -0.29 -0.47 115.29 129.38 2kuq s HIS 48 Ca 0.04 0.82 0.04 0.00 -0.15 0.00 0.00 55.06 55.81 2kuq s HIS 48 Cb -0.14 -2.62 -0.00 0.00 1.11 0.00 0.00 32.58 30.93 2kuq s HIS 48 CO -0.09 0.01 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.13 2kuq s LEU 49 N 1.22 1.92 0.28 0.89 1.43 -1.26 -1.08 118.68 122.08 2kuq s LEU 49 Ca 0.25 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2kuq s LEU 49 Cb -0.15 -0.97 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 2kuq s LEU 49 CO 0.10 0.16 1.35 -1.00 0.23 0.00 0.00 176.35 177.18 2kuq s HIS 50 N 0.02 3.08 -1.76 0.29 3.76 -1.26 -3.08 115.29 116.34 2kuq s HIS 50 Ca -0.03 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 2kuq s HIS 50 Cb -0.11 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.87 2kuq s HIS 50 CO 0.02 -2.10 0.00 0.54 -0.85 0.00 0.00 174.74 172.35 2kuq n ARG 51 N 1.61 -1.68 -4.09 1.40 5.12 -1.26 -4.95 116.66 112.81 2kuq n ARG 51 Ca 0.03 0.99 -0.12 0.00 -1.93 0.00 0.00 57.85 56.82 2kuq n ARG 51 Cb 0.41 -5.55 -0.06 0.00 -1.16 0.00 0.00 32.46 26.10 2kuq n ARG 51 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kuq s ARG 52 N -4.59 1.59 0.68 5.56 0.52 -1.18 -5.18 118.95 116.37 2kuq s ARG 52 Ca 0.00 -1.55 -0.11 0.00 -0.52 0.00 0.00 55.73 53.55 2kuq s ARG 52 Cb 0.00 0.40 -0.00 0.00 0.52 0.00 0.00 34.95 35.87 2kuq s ARG 52 CO 0.00 -0.63 1.06 -1.83 0.02 0.00 0.00 175.30 173.92 2kuq s GLU 53 N -3.70 3.06 0.18 3.54 1.03 -1.26 -4.73 118.70 116.81 2kuq s GLU 53 Ca 0.30 0.71 -0.30 0.00 0.03 0.00 0.00 54.97 55.71 2kuq s GLU 53 Cb 0.01 -2.02 -0.08 0.00 -0.80 0.00 0.00 34.13 31.25 2kuq s GLU 53 CO 0.14 -0.95 1.06 0.00 -1.33 0.00 0.00 175.26 174.18 2kuq s ALA 54 N -3.19 3.35 -0.16 -0.84 0.00 -1.26 -4.17 121.76 115.49 2kuq s ALA 54 Ca 0.57 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 2kuq s ALA 54 Cb -0.12 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2kuq s ALA 54 CO 0.54 -0.13 0.04 0.08 0.00 0.00 0.00 175.76 176.28 2kuq s VAL 55 N -0.36 4.56 -0.02 0.00 1.01 0.38 -4.93 120.40 121.04 2kuq s VAL 55 Ca 0.48 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2kuq s VAL 55 Cb -0.28 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2kuq s VAL 55 CO 0.34 0.50 -0.15 -0.13 0.00 0.00 0.00 175.10 175.66 2kuq s ARG 56 N 0.09 1.35 -0.15 2.72 0.52 -1.26 -0.60 118.95 121.61 2kuq s ARG 56 Ca 0.04 -0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 54.68 2kuq s ARG 56 Cb -0.13 -1.26 0.05 0.00 0.52 0.00 0.00 34.95 34.13 2kuq s ARG 56 CO 0.01 0.29 0.02 -1.58 0.02 0.00 0.00 175.30 174.06 2kuq s TRP 57 N -0.21 0.97 0.26 -0.53 0.51 -0.35 -3.93 118.94 115.66 2kuq s TRP 57 Ca 0.03 -0.66 -0.29 0.00 -2.12 0.00 0.00 56.10 53.05 2kuq s TRP 57 Cb -0.08 -0.98 -0.09 0.00 -0.81 0.00 0.00 33.47 31.51 2kuq s TRP 57 CO 0.00 -0.53 1.23 -1.25 -0.51 0.00 0.00 176.95 175.90 2kuq s PRO 58 N 1.88 4.46 0.55 4.98 0.04 -1.26 -1.41 135.00 144.24 2kuq s PRO 58 Ca 0.01 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.28 2kuq s PRO 58 Cb -0.15 -3.16 1.49 0.00 0.04 0.00 0.00 34.50 32.72 2kuq s PRO 58 CO -0.07 -0.08 2.19 1.88 0.04 0.00 0.00 177.00 180.96 2kuq h TYR 59 N 4.27 0.00 0.00 0.56 0.05 -1.94 -1.07 116.97 118.84 2kuq h TYR 59 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 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 0.59 0.01 0.00 1.37 -1.05 0.00 0.00 178.16 179.08 2kuq h LEU 60 N 0.00 0.00 -1.94 3.88 8.10 -1.91 -2.93 115.31 120.50 2kuq h LEU 60 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kuq h LEU 60 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 2kuq h LEU 60 CO 0.00 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.33 2kuq s LEU 62 N -1.92 3.72 0.15 0.00 1.43 -1.11 -1.35 118.68 119.60 2kuq s LEU 62 Ca 0.30 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2kuq s LEU 62 Cb 0.20 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 2kuq s LEU 62 CO 0.30 -1.29 1.37 -0.09 0.23 0.00 0.00 176.35 176.87 2kuq h ARG 63 N 9.33 0.51 -2.89 1.70 2.43 -1.57 -3.38 114.38 120.51 2kuq h ARG 63 Ca -0.24 -0.45 -0.03 0.00 -0.81 0.00 0.00 59.98 58.45 2kuq h ARG 63 Cb 1.06 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.59 2kuq h ARG 63 CO 1.12 1.08 0.19 -0.98 -1.51 0.00 0.00 179.97 179.87 2kuq s ARG 64 N -3.57 1.24 0.01 0.20 1.70 -1.24 -3.85 118.95 113.44 2kuq s ARG 64 Ca -0.07 -0.39 -0.22 0.00 -0.47 0.00 0.00 55.73 54.58 2kuq s ARG 64 Cb 0.10 0.57 0.05 0.00 -0.57 0.00 0.00 34.95 35.09 2kuq s ARG 64 CO 0.86 -0.52 0.48 1.52 -1.08 0.00 0.00 175.30 176.57 2kuq s TYR 65 N -3.43 -0.39 0.12 5.89 -0.85 -0.73 -0.71 117.35 117.27 2kuq s TYR 65 Ca -0.00 0.52 -0.26 0.00 -0.52 0.00 0.00 57.07 56.80 2kuq s TYR 65 Cb -0.01 0.27 0.07 0.00 0.38 0.00 0.00 41.96 42.68 2kuq s TYR 65 CO -0.10 -0.56 0.97 0.20 -1.52 0.00 0.00 175.55 174.54 2kuq s GLY 66 N -1.66 -0.27 -0.01 5.49 0.00 0.02 -1.02 107.32 109.86 2kuq s GLY 66 Ca -0.08 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.80 2kuq s GLY 66 CO 0.02 0.06 0.24 -2.52 0.00 0.00 0.00 173.10 170.90 2kuq s TYR 67 N -3.21 -0.09 0.14 1.90 1.13 -1.25 -1.21 117.35 114.76 2kuq s TYR 67 Ca 0.11 0.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.91 2kuq s TYR 67 Cb -0.01 0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 40.88 2kuq s TYR 67 CO 0.00 -0.35 0.14 -3.47 -2.51 0.00 0.00 175.55 169.36 2kuq n ASP 68 N 1.36 -0.36 -4.57 -0.18 -0.08 0.36 -3.58 116.55 109.50 2kuq n ASP 68 Ca -0.22 -1.89 -0.42 0.00 -1.51 0.00 0.00 54.79 50.75 2kuq n ASP 68 Cb 0.56 0.78 -0.04 0.00 2.34 0.00 0.00 41.12 44.76 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 -2.34 2.87 -2.05 1.67 7.64 -1.26 -1.60 113.62 118.55 2kuq n SER 69 Ca 0.03 0.03 -0.17 0.00 1.01 0.00 0.00 58.87 59.77 2kuq n SER 69 Cb 0.25 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 61.89 2kuq n SER 69 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kuq n ASN 70 N 12.63 -4.74 -3.91 6.43 3.02 -1.26 -4.98 115.26 122.45 2kuq n ASN 70 Ca 0.33 0.22 -0.18 0.00 -0.03 0.00 0.00 54.58 54.92 2kuq n ASN 70 Cb 0.45 -4.09 -0.15 0.00 -0.61 0.00 0.00 39.78 35.37 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 -5.20 1.62 -0.07 3.41 2.96 -0.63 -1.17 118.68 119.61 2kuq s LEU 71 Ca 0.00 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2kuq s LEU 71 Cb 0.00 -0.34 0.00 0.00 0.50 0.00 0.00 46.19 46.36 2kuq s LEU 71 CO 0.00 -0.00 -0.16 0.12 -1.32 0.00 0.00 176.35 174.98 2kuq s PHE 72 N 0.44 1.78 0.01 5.38 5.36 -0.28 -0.49 117.98 130.18 2kuq s PHE 72 Ca -0.05 -0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 55.24 2kuq s PHE 72 Cb -0.09 -1.24 -0.01 0.00 -0.34 0.00 0.00 43.02 41.35 2kuq s PHE 72 CO -0.00 -0.27 0.07 0.45 -1.46 0.00 0.00 175.22 174.01 2kuq s SER 73 N 0.39 0.12 0.07 6.13 0.15 -0.35 -1.13 113.70 119.08 2kuq s SER 73 Ca -0.12 -0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.04 2kuq s SER 73 Cb -0.15 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 2kuq s SER 73 CO 0.04 -0.35 0.35 0.72 1.20 0.00 0.00 173.24 175.20 2kuq s PHE 74 N -1.46 -0.14 -0.18 3.44 -0.12 -0.91 -0.80 117.98 117.80 2kuq s PHE 74 Ca -0.15 -0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.66 2kuq s PHE 74 Cb -0.08 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 2kuq s PHE 74 CO 0.00 -0.59 -0.14 -2.00 -0.05 0.00 0.00 175.22 172.45 2kuq s GLU 75 N -3.08 3.17 -0.01 1.99 2.12 0.11 -1.19 118.70 121.81 2kuq s GLU 75 Ca -0.01 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.62 2kuq s GLU 75 Cb 0.01 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 2kuq s GLU 75 CO -0.07 -0.14 -0.17 0.45 -0.54 0.00 0.00 175.26 174.80 2kuq s SER 76 N 1.20 3.85 1.09 -1.70 0.15 -0.48 -1.45 113.70 116.36 2kuq s SER 76 Ca 0.02 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.20 2kuq s SER 76 Cb -0.14 -0.71 0.24 0.00 -1.71 0.00 0.00 66.02 63.69 2kuq s SER 76 CO -0.06 0.31 1.15 -0.83 1.20 0.00 0.00 173.24 175.01 2kuq s GLY 77 N -0.99 1.62 0.00 9.45 0.00 -0.45 -2.05 107.32 114.90 2kuq s GLY 77 Ca 0.13 -0.87 0.10 0.00 0.00 0.00 0.00 44.72 44.08 2kuq s GLY 77 CO 0.02 -0.09 1.26 -0.96 0.00 0.00 0.00 173.10 173.33 2kuq n ARG 78 N -4.35 0.08 -0.84 2.90 1.85 -1.26 -3.82 116.66 111.22 2kuq n ARG 78 Ca 0.12 0.25 -0.13 0.00 -1.00 0.00 0.00 57.85 57.08 2kuq n ARG 78 Cb 0.59 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.52 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 -1.38 1.65 -4.05 2.89 1.74 -1.26 -4.54 116.66 111.72 2kuq n ARG 79 Ca 0.04 -1.21 -0.11 0.00 -0.77 0.00 0.00 57.85 55.79 2kuq n ARG 79 Cb 0.10 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 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 2.23 0.78 -0.00 0.00 4.15 -1.90 -2.68 115.11 117.68 2kuq h GLN 81 Ca -0.28 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2kuq h GLN 81 Cb 1.25 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2kuq h GLN 81 CO 0.39 0.59 -0.41 0.25 -1.93 0.00 0.00 178.83 177.72 2kuq n THR 82 N -4.38 0.00 -3.87 2.39 -2.24 -1.26 -5.08 114.28 99.83 2kuq n THR 82 Ca 0.05 -0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 2kuq n THR 82 Cb 0.11 0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.63 3.73 3.38 0.00 -1.01 -4.86 105.19 106.25 2kuq n GLY 83 Ca 0.08 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.25 4.26 0.00 1.61 0.74 -1.25 -4.63 119.66 120.14 2kuq s GLN 84 Ca 0.00 2.28 0.00 0.00 0.05 0.00 0.00 55.36 57.69 2kuq s GLN 84 Cb 0.00 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.97 2kuq s GLN 84 CO 0.00 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 174.69 2kuq n GLY 85 N 2.76 0.64 3.37 2.59 0.00 -0.87 -4.96 105.19 108.72 2kuq n GLY 85 Ca 0.09 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 3.70 -0.13 -0.61 1.01 -1.26 -1.38 121.20 120.54 2kuq s ILE 86 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.29 2kuq s ILE 86 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2kuq s ILE 86 CO 0.00 0.40 -0.20 -0.36 0.00 0.00 0.00 174.94 174.78 2kuq s PHE 87 N 1.43 2.67 -0.02 3.97 0.08 -0.33 -0.81 117.98 124.97 2kuq s PHE 87 Ca 0.05 -1.11 0.04 0.00 0.12 0.00 0.00 56.93 56.03 2kuq s PHE 87 Cb -0.15 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2kuq s PHE 87 CO -0.01 -0.48 -0.13 0.00 -0.10 0.00 0.00 175.22 174.51 2kuq s ALA 88 N 0.60 1.10 -0.00 5.36 0.00 -1.26 -2.14 121.76 125.42 2kuq s ALA 88 Ca -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2kuq s ALA 88 Cb -0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2kuq s ALA 88 CO 0.03 0.25 -0.02 -0.06 0.00 0.00 0.00 175.76 175.96 2kuq s PHE 89 N -0.20 0.18 0.02 0.00 0.40 -0.29 -1.82 117.98 116.28 2kuq s PHE 89 Ca 0.03 -0.05 -0.27 0.00 -0.60 0.00 0.00 56.93 56.05 2kuq s PHE 89 Cb -0.06 -0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.30 2kuq s PHE 89 CO -0.00 -0.01 0.83 0.15 0.70 0.00 0.00 175.22 176.89 2kuq s LYS 90 N -0.09 4.53 -0.29 0.44 1.02 -0.02 -1.13 119.74 124.20 2kuq s LYS 90 Ca 0.00 1.16 -0.19 0.00 0.02 0.00 0.00 55.97 56.97 2kuq s LYS 90 Cb -0.01 -3.40 0.16 0.00 -0.52 0.00 0.00 37.83 34.06 2kuq s LYS 90 CO -0.00 0.15 1.10 0.00 -0.92 0.00 0.00 175.35 175.68 2kuq h SER 92 N 5.18 0.00 -0.20 0.00 0.87 -1.88 -3.07 113.55 114.45 2kuq h SER 92 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2kuq h SER 92 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2kuq h SER 92 CO 0.19 0.51 0.00 0.54 -0.53 0.00 0.00 176.83 177.53 2kuq n ARG 93 N -3.93 2.29 -0.29 2.24 1.74 -1.26 -4.60 116.66 112.85 2kuq n ARG 93 Ca -0.01 -1.06 0.24 0.00 -0.77 0.00 0.00 57.85 56.24 2kuq n ARG 93 Cb 0.52 -1.73 0.57 0.00 -1.02 0.00 0.00 32.46 30.80 2kuq n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h ALA 94 N 2.73 2.43 -0.36 7.54 0.00 -1.86 0.48 119.26 130.22 2kuq h ALA 94 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2kuq h ALA 94 Cb 0.97 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2kuq h ALA 94 CO 0.16 -0.78 -0.07 1.49 0.00 0.00 0.00 179.25 180.06 2kuq h GLU 95 N 0.29 0.61 -0.32 0.00 4.81 -1.89 -1.14 114.58 116.94 2kuq h GLU 95 Ca 0.54 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.44 2kuq h GLU 95 Cb 1.56 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 2kuq h GLU 95 CO -0.19 0.68 -0.45 0.93 -0.73 0.00 0.00 179.01 179.25 2kuq h GLU 96 N 0.57 0.83 -0.26 1.92 4.39 -1.28 -1.39 114.58 119.36 2kuq h GLU 96 Ca 0.11 -0.47 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 2kuq h GLU 96 Cb 0.46 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2kuq h GLU 96 CO 0.02 1.11 0.07 0.82 -1.16 0.00 0.00 179.01 179.87 2kuq h ILE 97 N 0.67 1.21 -0.16 3.13 2.04 -1.26 -0.51 117.51 122.62 2kuq h ILE 97 Ca 0.04 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.24 2kuq h ILE 97 Cb 1.03 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2kuq h ILE 97 CO 0.10 0.22 0.03 0.15 0.00 0.00 0.00 178.15 178.65 2kuq h PHE 98 N 0.25 0.05 -0.20 1.37 3.57 -1.18 0.07 116.94 120.87 2kuq h PHE 98 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2kuq h PHE 98 Cb 0.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2kuq h PHE 98 CO 0.01 0.02 0.09 -0.91 -2.23 0.00 0.00 178.31 175.29 2kuq h ASN 99 N 0.09 0.27 -0.66 0.41 2.35 -1.20 -2.53 115.58 114.31 2kuq h ASN 99 Ca 0.07 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2kuq h ASN 99 Cb 0.07 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2kuq h ASN 99 CO -0.10 0.32 0.28 0.25 -1.65 0.00 0.00 177.43 176.54 2kuq h LEU 100 N 0.19 0.90 -0.00 1.61 5.85 -0.97 -1.00 115.31 121.89 2kuq h LEU 100 Ca 0.07 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kuq h LEU 100 Cb 0.13 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2kuq h LEU 100 CO -0.01 0.81 -0.14 0.25 -0.34 0.00 0.00 178.44 179.01 2kuq h LEU 101 N 0.93 -0.42 -0.74 2.25 5.85 -0.90 -1.34 115.31 120.94 2kuq h LEU 101 Ca 0.22 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.88 2kuq h LEU 101 Cb 0.18 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2kuq h LEU 101 CO -0.02 -0.20 -0.40 0.06 -0.34 0.00 0.00 178.44 177.54 2kuq h GLN 102 N -0.24 0.50 -0.64 1.25 3.07 -1.32 -2.80 115.11 114.93 2kuq h GLN 102 Ca 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 58.65 58.52 2kuq h GLN 102 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.83 2kuq h GLN 102 CO -0.14 0.81 0.31 -0.44 0.09 0.00 0.00 178.83 179.46 2kuq h ASP 103 N 0.41 0.84 0.58 0.06 3.32 -0.97 -1.53 116.42 119.13 2kuq h ASP 103 Ca 0.04 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 2kuq h ASP 103 Cb 0.87 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2kuq h ASP 103 CO 0.07 0.73 -0.67 -0.07 -1.72 0.00 0.00 179.24 177.59 2kuq h LEU 104 N 0.88 0.09 0.00 1.55 3.38 -1.19 -2.16 115.31 117.86 2kuq h LEU 104 Ca 0.22 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 2kuq h LEU 104 Cb 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kuq h LEU 104 CO -0.03 0.73 -0.96 0.00 0.09 0.00 0.00 178.44 178.27 2kuq h MET 105 N 0.05 0.00 0.13 1.13 -0.00 -1.39 -3.35 114.93 111.50 2kuq h MET 105 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.39 2kuq h MET 105 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2kuq h MET 105 CO 0.09 0.51 -1.48 -0.56 -0.00 0.00 0.00 176.91 175.47 2kuq h GLN 106 N 0.00 0.28 -1.31 -0.10 3.07 -1.30 -3.48 115.11 112.27 2kuq h GLN 106 Ca -0.08 -0.47 -0.09 0.00 0.09 0.00 0.00 58.65 58.10 2kuq h GLN 106 Cb 1.55 0.18 -0.04 0.00 0.08 0.00 0.00 27.48 29.25 2kuq h GLN 106 CO 0.07 1.16 -0.09 0.00 0.09 0.00 0.00 178.83 180.07 2kuq h ASN 108 N 0.00 0.72 -4.99 0.00 -1.24 -1.93 -3.49 115.58 104.66 2kuq h ASN 108 Ca -0.09 -0.51 0.20 0.00 0.71 0.00 0.00 56.30 56.61 2kuq h ASN 108 Cb 0.37 -0.22 -0.13 0.00 0.73 0.00 0.00 38.32 39.07 2kuq h ASN 108 CO 0.14 1.29 0.63 -0.94 -1.29 0.00 0.00 177.43 177.25 2kuq s SER 109 N -7.09 -0.20 0.19 1.15 1.04 -1.26 -5.06 113.70 102.48 2kuq s SER 109 Ca -0.08 -0.14 0.25 0.00 0.48 0.00 0.00 55.95 56.46 2kuq s SER 109 Cb 0.09 0.32 0.51 0.00 0.10 0.00 0.00 66.02 67.04 2kuq s SER 109 CO 0.88 -0.55 1.52 0.40 0.98 0.00 0.00 173.24 176.47 2kuq h ILE 110 N 2.00 0.00 -1.99 -1.02 2.04 -1.99 -3.48 117.51 113.07 2kuq h ILE 110 Ca -0.22 -0.57 -0.63 0.00 1.00 0.00 0.00 64.86 64.44 2kuq h ILE 110 Cb 1.21 1.36 0.05 0.00 -0.74 0.00 0.00 36.82 38.70 2kuq h ILE 110 CO 0.27 0.00 0.68 -3.20 0.00 0.00 0.00 178.15 175.90 2kuq n ASN 111 N -2.31 2.49 -3.59 1.72 2.85 -1.26 -5.00 115.26 110.16 2kuq n ASN 111 Ca 0.04 1.09 -0.16 0.00 -0.11 0.00 0.00 54.58 55.44 2kuq n ASN 111 Cb 0.45 -1.32 -0.07 0.00 1.24 0.00 0.00 39.78 40.09 2kuq n ASN 111 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kuq s VAL 112 N 1.02 0.00 0.34 3.44 0.11 -1.26 -5.15 120.40 118.90 2kuq s VAL 112 Ca 0.83 -0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 59.61 2kuq s VAL 112 Cb -0.81 -0.98 -0.10 0.00 -1.53 0.00 0.00 36.38 32.97 2kuq s VAL 112 CO 0.43 -0.01 0.99 -0.04 -3.33 0.00 0.00 175.10 173.15 2kuq s MET 113 N -0.36 4.46 -1.43 1.54 -1.94 -1.26 -4.98 119.30 115.33 2kuq s MET 113 Ca -0.05 1.44 -0.15 0.00 -1.71 0.00 0.00 55.69 55.22 2kuq s MET 113 Cb -0.03 -2.76 0.05 0.00 2.01 0.00 0.00 34.83 34.10 2kuq s MET 113 CO 0.05 0.14 2.14 0.39 -0.01 0.00 0.00 175.02 177.73 2kuq n GLU 114 N 0.42 2.92 -2.18 2.03 -0.58 -1.26 -4.99 120.64 117.01 2kuq n GLU 114 Ca 0.03 -2.73 -0.38 0.00 -0.42 0.00 0.00 57.16 53.66 2kuq n GLU 114 Cb 0.49 -3.32 -0.00 0.00 -0.57 0.00 0.00 31.44 28.04 2kuq n GLU 114 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2kuq s GLU 115 N 3.33 3.73 0.24 3.49 2.02 -1.26 -4.99 118.70 125.26 2kuq s GLU 115 Ca 0.48 1.88 -0.30 0.00 0.02 0.00 0.00 54.97 57.05 2kuq s GLU 115 Cb 0.12 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.81 2kuq s GLU 115 CO -0.06 -0.60 1.31 -1.25 0.02 0.00 0.00 175.26 174.68 2kuq s PRO 116 N -2.63 4.38 -0.04 0.39 0.04 -1.26 -5.00 135.00 130.87 2kuq s PRO 116 Ca 0.63 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 63.54 2kuq s PRO 116 Cb -0.31 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 2kuq s PRO 116 CO 0.38 -0.23 0.71 0.08 0.04 0.00 0.00 177.00 177.98 2kuq s VAL 117 N -0.24 4.99 -0.19 -0.36 1.01 -1.26 -5.06 120.40 119.28 2kuq s VAL 117 Ca 0.55 1.48 0.01 0.00 0.00 0.00 0.00 61.98 64.02 2kuq s VAL 117 Cb -0.38 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 31.99 2kuq s VAL 117 CO 0.42 0.28 -0.14 -0.63 0.00 0.00 0.00 175.10 175.03 2kuq s ILE 118 N 0.61 1.79 -0.01 2.22 -1.09 -1.26 -5.05 121.20 118.40 2kuq s ILE 118 Ca 0.38 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 2kuq s ILE 118 Cb -0.18 -1.76 0.01 0.00 -1.58 0.00 0.00 42.46 38.95 2kuq s ILE 118 CO 0.19 0.31 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.55 2kuq s ILE 119 N 1.36 0.27 0.07 2.92 1.01 -1.26 -4.99 121.20 120.58 2kuq s ILE 119 Ca 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2kuq s ILE 119 Cb -0.15 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2kuq s ILE 119 CO -0.10 0.11 -0.06 0.42 0.00 0.00 0.00 174.94 175.31 2kuq s THR 120 N 0.31 0.54 -0.22 2.92 -4.23 -1.26 -5.07 115.64 108.64 2kuq s THR 120 Ca -0.03 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2kuq s THR 120 Cb -0.06 -1.27 -0.06 0.00 1.34 0.00 0.00 72.50 72.44 2kuq s THR 120 CO -0.01 -0.74 2.97 -0.24 -0.54 0.00 0.00 174.62 176.07 2kuq n SER 121 N 0.49 5.88 -0.48 3.99 2.88 -1.26 -4.38 113.62 120.75 2kuq n SER 121 Ca -0.16 -2.83 0.04 0.00 -1.33 0.00 0.00 58.87 54.60 2kuq n SER 121 Cb 0.59 -1.28 0.12 0.00 -0.75 0.00 0.00 64.21 62.89 2kuq n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 122 N 1.53 2.95 3.79 0.46 0.00 -1.26 -5.07 105.19 107.59 2kuq n GLY 122 Ca 0.40 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.10 6.53 0.11 1.61 0.15 -1.26 -5.07 113.70 114.67 2kuq s SER 123 Ca 0.19 2.03 -0.26 0.00 0.70 0.00 0.00 55.95 58.61 2kuq s SER 123 Cb 0.11 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.91 2kuq s SER 123 CO 0.11 -0.65 0.85 -0.55 1.20 0.00 0.00 173.24 174.20 2kuq s SER 124 N -1.69 -0.31 0.00 5.45 0.15 -1.26 -5.20 113.70 110.84 2kuq s SER 124 Ca 0.62 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2kuq s SER 124 Cb -0.21 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2kuq s SER 124 CO 0.26 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2kuq n GLY 125 N -0.37 3.67 3.84 9.45 0.00 -1.26 -5.20 105.19 115.31 2kuq n GLY 125 Ca -0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -0.05 -0.65 1.61 0.15 -1.26 -5.12 113.70 108.38 2kuq s SER 126 Ca 0.00 -0.64 -0.23 0.00 0.70 0.00 0.00 55.95 55.79 2kuq s SER 126 Cb 0.00 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 2kuq s SER 126 CO 0.00 -1.03 0.96 -0.44 1.20 0.00 0.00 173.24 173.93 2kuq s SER 127 N -3.23 6.19 0.04 5.45 0.01 -1.26 -5.03 113.70 115.87 2kuq s SER 127 Ca 0.18 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2kuq s SER 127 Cb -0.02 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2kuq s SER 127 CO 0.05 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 172.89 2kuq n GLY 128 N 5.31 0.55 3.68 3.44 0.00 -1.26 -5.05 105.19 111.86 2kuq n GLY 128 Ca -0.03 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.00 6.95 -1.38 1.61 0.01 -1.26 -4.96 113.70 113.68 2kuq s SER 129 Ca 0.00 1.91 -0.12 0.00 1.31 0.00 0.00 55.95 59.05 2kuq s SER 129 Cb 0.00 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.77 2kuq s SER 129 CO 0.00 -0.67 2.07 -0.24 0.41 0.00 0.00 173.24 174.80 2kuq n SER 130 N 5.57 4.42 -4.11 2.44 2.88 -1.26 -4.89 113.62 118.67 2kuq n SER 130 Ca 0.12 -2.96 -0.35 0.00 -1.33 0.00 0.00 58.87 54.36 2kuq n SER 130 Cb 0.45 -1.58 -0.12 0.00 -0.75 0.00 0.00 64.21 62.20 2kuq n SER 130 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kuq s GLY 131 N 2.21 1.96 -0.28 0.46 0.00 -1.26 -5.05 107.32 105.35 2kuq s GLY 131 Ca 0.44 -2.46 -0.22 0.00 0.00 0.00 0.00 44.72 42.48 2kuq s GLY 131 CO -0.05 0.98 0.81 -0.45 0.00 0.00 0.00 173.10 174.39 2kuq s SER 132 N 1.58 -0.70 0.00 1.64 0.15 -1.26 -4.97 113.70 110.14 2kuq s SER 132 Ca 0.07 1.26 0.25 0.00 0.70 0.00 0.00 55.95 58.24 2kuq s SER 132 Cb -0.22 1.28 0.90 0.00 -1.71 0.00 0.00 66.02 66.28 2kuq s SER 132 CO -0.05 -0.21 1.65 -1.54 1.20 0.00 0.00 173.24 174.29 2kuq n SER 133 N 3.02 1.62 0.00 5.45 3.41 -1.26 -5.01 113.62 120.85 2kuq n SER 133 Ca -0.15 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2kuq n SER 133 Cb 0.56 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kuq n GLY 134 N 1.16 -0.77 3.39 5.00 0.00 -1.26 -5.13 105.19 107.59 2kuq n GLY 134 Ca 0.18 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2kuq n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kuq s LEU 135 N 0.00 2.47 0.13 0.99 1.43 -1.26 -5.01 118.68 117.43 2kuq s LEU 135 Ca 0.00 -0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 2kuq s LEU 135 Cb 0.00 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.65 2kuq s LEU 135 CO 0.00 0.31 1.43 0.12 0.23 0.00 0.00 176.35 178.44 2kuq s PHE 136 N -0.50 3.20 -0.41 0.29 2.19 -1.26 -5.00 117.98 116.48 2kuq s PHE 136 Ca 0.06 0.88 -0.13 0.00 0.33 0.00 0.00 56.93 58.08 2kuq s PHE 136 Cb -0.11 -3.74 0.04 0.00 -1.31 0.00 0.00 43.02 37.89 2kuq s PHE 136 CO 0.01 -2.64 0.28 1.03 1.83 0.00 0.00 175.22 175.74 2kuq s ARG 137 N 1.05 2.86 0.39 10.12 0.52 -1.26 -4.43 118.95 128.20 2kuq s ARG 137 Ca 0.66 -1.18 -0.25 0.00 -0.52 0.00 0.00 55.73 54.44 2kuq s ARG 137 Cb -0.39 -3.90 -0.09 0.00 0.52 0.00 0.00 34.95 31.10 2kuq s ARG 137 CO 0.31 -0.82 1.06 -0.51 0.02 0.00 0.00 175.30 175.36 2kuq s LEU 138 N 1.59 4.19 0.15 2.53 1.43 0.01 -4.87 118.68 123.71 2kuq s LEU 138 Ca 0.03 2.07 0.09 0.00 -1.03 0.00 0.00 54.13 55.30 2kuq s LEU 138 Cb -0.21 -4.12 -0.15 0.00 0.03 0.00 0.00 46.19 41.75 2kuq s LEU 138 CO 0.07 -0.46 1.29 0.03 0.23 0.00 0.00 176.35 177.51 2kuq h ARG 139 N 2.65 0.00 -5.59 1.70 3.08 -1.99 -3.34 114.38 110.90 2kuq h ARG 139 Ca -0.48 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.11 2kuq h ARG 139 Cb 1.22 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 2kuq h ARG 139 CO 0.63 0.87 -0.80 -1.01 -1.07 0.00 0.00 179.97 178.59 2kuq s HIS 140 N -2.76 1.39 -0.07 3.04 3.76 -1.26 -5.06 115.29 114.33 2kuq s HIS 140 Ca 0.01 -0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 2kuq s HIS 140 Cb 0.09 -0.79 -0.02 0.00 1.11 0.00 0.00 32.58 32.97 2kuq s HIS 140 CO 0.80 0.09 1.07 0.12 -0.85 0.00 0.00 174.74 175.97 2kuq s PHE 141 N -1.14 3.45 -0.06 1.40 5.36 -1.26 -4.97 117.98 120.75 2kuq s PHE 141 Ca 0.01 1.49 0.14 0.00 -0.96 0.00 0.00 56.93 57.61 2kuq s PHE 141 Cb -0.10 -3.25 -0.17 0.00 -0.34 0.00 0.00 43.02 39.16 2kuq s PHE 141 CO 0.03 -0.54 0.86 -1.00 -1.46 0.00 0.00 175.22 173.10 2kuq h PRO 142 N 7.13 0.00 -6.19 10.12 0.13 -2.00 -3.47 132.00 137.73 2kuq h PRO 142 Ca -0.34 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.22 2kuq h PRO 142 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2kuq h PRO 142 CO 0.84 0.48 -0.02 0.00 -0.23 0.00 0.00 178.00 179.07 2kuq h GLY 144 N 4.92 0.58 -5.36 0.00 0.00 -1.92 -3.39 103.07 97.91 2kuq h GLY 144 Ca -0.48 -0.84 -0.70 0.00 0.00 0.00 0.00 47.33 45.31 2kuq h GLY 144 CO 0.66 0.75 3.31 0.70 0.00 0.00 0.00 176.54 181.95 2kuq n ASN 145 N -3.86 7.83 -4.75 0.19 3.02 -1.24 -4.96 115.26 111.50 2kuq n ASN 145 Ca -0.06 -2.78 -0.41 0.00 -0.03 0.00 0.00 54.58 51.30 2kuq n ASN 145 Cb 0.73 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.36 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 1.33 2.93 0.04 2.41 1.01 -1.26 -3.79 120.40 123.07 2kuq s VAL 146 Ca 0.62 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 2kuq s VAL 146 Cb 0.17 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2kuq s VAL 146 CO -0.07 0.14 -0.02 0.21 0.00 0.00 0.00 175.10 175.36 2kuq s ASN 147 N 0.16 0.38 -0.05 3.32 2.47 -0.19 -5.00 114.94 116.03 2kuq s ASN 147 Ca 0.56 -0.80 0.03 0.00 0.42 0.00 0.00 52.86 53.07 2kuq s ASN 147 Cb -0.39 0.17 -0.03 0.00 -1.45 0.00 0.00 41.25 39.55 2kuq s ASN 147 CO 0.43 -0.49 -0.10 -0.31 -3.72 0.00 0.00 177.10 172.91 2kuq s TYR 148 N -2.98 2.82 0.00 0.43 2.02 -1.26 -1.77 117.35 116.61 2kuq s TYR 148 Ca -0.02 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2kuq s TYR 148 Cb 0.01 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 2kuq s TYR 148 CO -0.07 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.60 2kuq n GLY 149 N 2.13 1.09 3.60 0.71 0.00 -1.25 -5.02 105.19 106.45 2kuq n GLY 149 Ca -0.17 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 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 0.80 -3.70 1.61 4.02 -1.26 -5.04 117.16 113.59 2kuq n TYR 150 Ca 0.00 0.46 -0.10 0.00 -0.01 0.00 0.00 57.90 58.25 2kuq n TYR 150 Cb 0.00 -2.15 -0.04 0.00 -0.02 0.00 0.00 39.34 37.13 2kuq n TYR 150 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2kuq s GLN 151 N -2.54 1.18 -0.04 -0.72 0.00 -1.26 -4.97 119.66 111.30 2kuq s GLN 151 Ca 0.72 -0.80 0.04 0.00 -0.00 0.00 0.00 55.36 55.32 2kuq s GLN 151 Cb -0.45 0.48 -0.00 0.00 0.00 0.00 0.00 33.01 33.04 2kuq s GLN 151 CO 0.50 -0.47 -0.15 -0.65 0.00 0.00 0.00 175.29 174.51 2kuq s GLN 152 N -3.84 1.60 0.00 9.60 -1.52 -1.26 -5.27 119.66 118.97 2kuq s GLN 152 Ca 0.06 -0.53 0.00 0.00 -1.95 0.00 0.00 55.36 52.95 2kuq s GLN 152 Cb 0.01 -1.40 0.00 0.00 -0.22 0.00 0.00 33.01 31.40 2kuq s GLN 152 CO -0.08 0.20 0.00 0.00 -0.25 0.00 0.00 175.29 175.16