#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuq n SER 2 N 0.00 0.00 -3.79 1.61 2.88 -1.26 -5.20 113.62 107.86 2kuq n SER 2 Ca 0.00 -0.44 -0.13 0.00 -1.33 0.00 0.00 58.87 56.97 2kuq n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2kuq n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kuq s SER 3 N 0.61 -0.20 0.00 -3.46 0.15 -1.26 -5.12 113.70 104.41 2kuq s SER 3 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2kuq s SER 3 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2kuq s SER 3 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2kuq n GLY 4 N 2.23 -2.05 3.81 9.45 0.00 -1.26 -5.09 105.19 112.28 2kuq n GLY 4 Ca -0.17 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.00 -0.12 0.19 1.61 1.04 -1.26 -5.05 113.70 106.11 2kuq s SER 5 Ca 0.00 -0.62 0.26 0.00 0.48 0.00 0.00 55.95 56.07 2kuq s SER 5 Cb 0.00 0.59 0.88 0.00 0.10 0.00 0.00 66.02 67.59 2kuq s SER 5 CO 0.00 -1.13 1.77 -1.20 0.98 0.00 0.00 173.24 173.66 2kuq n SER 6 N -0.78 0.70 -0.49 7.02 7.64 -1.26 -5.05 113.62 121.39 2kuq n SER 6 Ca -0.05 0.58 0.07 0.00 1.01 0.00 0.00 58.87 60.47 2kuq n SER 6 Cb 0.60 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 2kuq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 7 N 1.08 -1.87 2.93 0.23 0.00 -1.26 -4.97 105.19 101.32 2kuq n GLY 7 Ca 0.05 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.86 -1.47 0.06 0.99 1.98 -1.26 -5.16 118.68 108.96 2kuq s LEU 8 Ca 0.00 -1.39 -0.17 0.00 -2.89 0.00 0.00 54.13 49.68 2kuq s LEU 8 Cb 0.00 1.92 0.03 0.00 0.66 0.00 0.00 46.19 48.80 2kuq s LEU 8 CO 0.00 -0.10 0.40 0.20 -1.89 0.00 0.00 176.35 174.96 2kuq s ASN 9 N 1.23 -0.26 -1.00 3.68 -0.87 -1.26 -5.11 114.94 111.36 2kuq s ASN 9 Ca 0.25 -0.09 -0.23 0.00 -1.57 0.00 0.00 52.86 51.21 2kuq s ASN 9 Cb -0.02 0.43 0.04 0.00 -0.02 0.00 0.00 41.25 41.68 2kuq s ASN 9 CO -0.06 -0.70 1.50 -0.13 -2.57 0.00 0.00 177.10 175.14 2kuq s ARG 10 N -2.79 3.47 -0.26 -0.60 1.81 -1.26 -4.90 118.95 114.42 2kuq s ARG 10 Ca -0.03 -1.01 -0.25 0.00 -1.72 0.00 0.00 55.73 52.71 2kuq s ARG 10 Cb -0.00 -5.31 0.07 0.00 -0.45 0.00 0.00 34.95 29.26 2kuq s ARG 10 CO -0.05 -2.33 0.73 0.34 -0.68 0.00 0.00 175.30 173.31 2kuq s ASP 11 N 5.29 -0.73 0.00 0.23 -1.08 -1.26 -5.09 116.67 114.03 2kuq s ASP 11 Ca 0.48 1.40 0.23 0.00 -0.52 0.00 0.00 52.55 54.14 2kuq s ASP 11 Cb -0.01 1.41 0.05 0.00 -1.46 0.00 0.00 42.92 42.91 2kuq s ASP 11 CO -0.09 -0.26 1.13 -0.24 0.52 0.00 0.00 175.17 176.23 2kuq n SER 12 N 2.60 2.10 -4.64 -0.34 2.88 -1.26 -4.94 113.62 110.01 2kuq n SER 12 Ca -0.14 -1.55 -0.40 0.00 -1.33 0.00 0.00 58.87 55.45 2kuq n SER 12 Cb 0.55 0.41 -0.06 0.00 -0.75 0.00 0.00 64.21 64.36 2kuq n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kuq s VAL 13 N -2.42 5.01 0.72 2.46 1.01 -1.26 -5.06 120.40 120.85 2kuq s VAL 13 Ca 0.20 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 2kuq s VAL 13 Cb 0.18 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2kuq s VAL 13 CO 0.54 0.07 1.12 -2.16 0.00 0.00 0.00 175.10 174.67 2kuq s PRO 14 N 2.23 2.44 0.06 2.72 0.04 -1.26 -4.94 135.00 136.28 2kuq s PRO 14 Ca 0.27 1.40 0.13 0.00 0.04 0.00 0.00 61.00 62.84 2kuq s PRO 14 Cb -0.16 -1.90 0.57 0.00 0.04 0.00 0.00 34.50 33.05 2kuq s PRO 14 CO 0.09 -1.53 1.41 -0.40 0.04 0.00 0.00 177.00 176.61 2kuq n ASP 15 N -2.86 0.13 -1.74 6.66 5.75 -1.26 -3.06 116.55 120.17 2kuq n ASP 15 Ca 0.11 0.54 0.03 0.00 -0.01 0.00 0.00 54.79 55.45 2kuq n ASP 15 Cb 0.52 -0.56 0.03 0.00 -1.03 0.00 0.00 41.12 40.08 2kuq n ASP 15 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kuq n ASN 16 N -1.65 1.20 -4.57 -1.12 5.15 -1.26 -5.08 115.26 107.93 2kuq n ASN 16 Ca 0.02 -2.11 -0.52 0.00 -0.60 0.00 0.00 54.58 51.37 2kuq n ASN 16 Cb 0.13 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 38.98 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2kuq n HIS 17 N 0.18 1.23 0.32 1.20 -0.00 -1.17 -4.89 115.22 112.10 2kuq n HIS 17 Ca 0.07 0.72 0.12 0.00 -0.00 0.00 0.00 57.72 58.64 2kuq n HIS 17 Cb 1.05 -2.26 0.56 0.00 -0.00 0.00 0.00 29.99 29.34 2kuq n HIS 17 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kuq h PRO 18 N 3.76 0.00 0.00 1.57 0.13 -1.99 -3.36 132.00 132.12 2kuq h PRO 18 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kuq h PRO 18 Cb 1.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 2kuq h PRO 18 CO 0.72 0.00 -0.07 -2.37 -0.23 0.00 0.00 178.00 176.05 2kuq n THR 19 N -2.34 0.00 -3.71 1.56 5.66 -1.26 -5.02 114.28 109.17 2kuq n THR 19 Ca 0.01 -0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2kuq n THR 19 Cb 0.18 0.08 -0.14 0.00 -1.55 0.00 0.00 70.33 68.89 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 0.00 0.09 -0.06 1.09 2.47 -1.26 -3.70 119.74 118.38 2kuq s LYS 20 Ca 0.00 0.48 -0.02 0.00 -1.56 0.00 0.00 55.97 54.87 2kuq s LYS 20 Cb 0.00 -0.19 0.04 0.00 -1.46 0.00 0.00 37.83 36.22 2kuq s LYS 20 CO -0.00 -0.22 0.11 -0.06 0.16 0.00 0.00 175.35 175.34 2kuq s PHE 21 N 1.61 -0.06 0.18 4.03 0.40 -0.22 -4.61 117.98 119.32 2kuq s PHE 21 Ca -0.05 0.41 -0.31 0.00 -0.60 0.00 0.00 56.93 56.38 2kuq s PHE 21 Cb -0.12 -0.32 -0.10 0.00 0.51 0.00 0.00 43.02 42.99 2kuq s PHE 21 CO -0.06 -0.21 1.56 0.15 0.70 0.00 0.00 175.22 177.35 2kuq s LYS 22 N 1.99 4.21 0.06 0.44 -0.14 -1.26 -0.56 119.74 124.48 2kuq s LYS 22 Ca 0.01 2.37 0.01 0.00 -1.36 0.00 0.00 55.97 57.00 2kuq s LYS 22 Cb -0.12 -3.14 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 2kuq s LYS 22 CO -0.04 -0.59 -0.05 0.14 -0.76 0.00 0.00 175.35 174.05 2kuq s VAL 23 N 0.93 0.43 -0.11 3.17 -7.23 -0.18 -4.90 120.40 112.50 2kuq s VAL 23 Ca 0.68 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2kuq s VAL 23 Cb -0.44 -1.27 0.04 0.00 0.56 0.00 0.00 36.38 35.27 2kuq s VAL 23 CO 0.34 -0.79 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.44 2kuq s THR 24 N -3.08 0.56 0.35 5.32 2.01 -1.22 -0.78 115.64 118.79 2kuq s THR 24 Ca 0.03 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 2kuq s THR 24 Cb 0.02 -0.79 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 2kuq s THR 24 CO -0.05 0.15 1.31 0.21 -0.69 0.00 0.00 174.62 175.54 2kuq s ASN 25 N 1.88 6.66 0.03 3.53 3.84 -0.92 -0.84 114.94 129.13 2kuq s ASN 25 Ca 0.03 2.68 0.01 0.00 0.21 0.00 0.00 52.86 55.79 2kuq s ASN 25 Cb -0.14 -2.65 -0.02 0.00 -0.55 0.00 0.00 41.25 37.89 2kuq s ASN 25 CO -0.07 -0.61 -0.05 0.68 -2.79 0.00 0.00 177.10 174.27 2kuq s VAL 26 N -1.17 0.31 0.50 -5.21 -7.23 -0.62 -1.40 120.40 105.58 2kuq s VAL 26 Ca 0.51 -1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.49 2kuq s VAL 26 Cb -0.39 -0.57 0.11 0.00 0.56 0.00 0.00 36.38 36.10 2kuq s VAL 26 CO 0.52 -0.51 0.66 -0.90 -0.31 0.00 0.00 175.10 174.55 2kuq n ASP 27 N 1.34 -0.04 0.15 4.85 5.75 -1.17 -4.60 116.55 122.84 2kuq n ASP 27 Ca -0.22 -1.22 0.12 0.00 -0.01 0.00 0.00 54.79 53.46 2kuq n ASP 27 Cb 0.56 -0.51 0.53 0.00 -1.03 0.00 0.00 41.12 40.67 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kuq n ASP 28 N -3.46 0.63 -0.75 -1.12 2.03 -1.26 -1.70 116.55 110.93 2kuq n ASP 28 Ca 0.08 0.71 0.11 0.00 0.52 0.00 0.00 54.79 56.21 2kuq n ASP 28 Cb 0.29 -0.82 0.06 0.00 -0.72 0.00 0.00 41.12 39.92 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kuq n GLU 29 N -2.26 1.84 -1.03 -0.67 -0.58 -1.26 -4.99 120.64 111.69 2kuq n GLU 29 Ca 0.01 -1.52 -0.01 0.00 -0.42 0.00 0.00 57.16 55.22 2kuq n GLU 29 Cb 0.15 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kuq n GLY 30 N 1.33 0.47 3.74 0.62 0.00 -0.69 -5.04 105.19 105.62 2kuq n GLY 30 Ca 0.12 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.03 4.30 -0.23 1.61 1.01 -1.26 -4.83 120.40 118.97 2kuq s VAL 31 Ca 0.00 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.71 2kuq s VAL 31 Cb 0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2kuq s VAL 31 CO 0.00 0.36 1.56 -1.61 0.00 0.00 0.00 175.10 175.41 2kuq s GLU 32 N -0.37 3.82 -0.12 2.72 2.02 -1.26 -3.01 118.70 122.50 2kuq s GLU 32 Ca 0.46 1.60 -0.24 0.00 0.02 0.00 0.00 54.97 56.81 2kuq s GLU 32 Cb -0.25 -4.01 -0.21 0.00 0.10 0.00 0.00 34.13 29.76 2kuq s GLU 32 CO 0.31 -1.25 0.72 -0.07 0.02 0.00 0.00 175.26 174.99 2kuq h LEU 33 N 11.52 -0.02 0.00 1.80 -0.00 -1.59 -3.50 115.31 123.52 2kuq h LEU 33 Ca -0.32 -0.77 0.00 0.00 -0.00 0.00 0.00 57.88 56.79 2kuq h LEU 33 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2kuq h LEU 33 CO 1.01 0.83 0.00 0.61 -0.00 0.00 0.00 178.44 180.89 2kuq n GLY 34 N 1.42 1.00 3.88 0.83 0.00 -1.25 -5.03 105.19 106.04 2kuq n GLY 34 Ca -0.08 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2kuq n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 35 N 0.00 6.54 0.28 1.61 1.04 -1.26 -2.17 113.70 119.74 2kuq s SER 35 Ca 0.00 0.65 -0.08 0.00 0.48 0.00 0.00 55.95 56.99 2kuq s SER 35 Cb 0.00 -2.12 -0.00 0.00 0.10 0.00 0.00 66.02 64.00 2kuq s SER 35 CO 0.00 0.14 0.45 -0.83 0.98 0.00 0.00 173.24 173.99 2kuq s GLY 36 N -2.03 0.92 -0.29 7.32 0.00 0.04 -4.46 107.32 108.82 2kuq s GLY 36 Ca 0.35 -1.16 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 2kuq s GLY 36 CO 0.20 -0.81 0.02 0.14 0.00 0.00 0.00 173.10 172.65 2kuq s VAL 37 N -3.66 3.36 0.02 1.40 1.01 -0.04 -1.01 120.40 121.48 2kuq s VAL 37 Ca 0.26 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2kuq s VAL 37 Cb 0.00 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 2kuq s VAL 37 CO 0.13 0.03 0.52 -0.32 0.00 0.00 0.00 175.10 175.46 2kuq s MET 38 N 1.37 4.15 -0.03 2.72 1.75 0.28 -1.08 119.30 128.46 2kuq s MET 38 Ca -0.01 0.61 0.00 0.00 -1.25 0.00 0.00 55.69 55.05 2kuq s MET 38 Cb -0.18 -3.27 0.03 0.00 2.84 0.00 0.00 34.83 34.25 2kuq s MET 38 CO -0.00 0.56 0.01 -2.00 -0.65 0.00 0.00 175.02 172.94 2kuq s GLU 39 N -0.77 0.21 -0.34 4.11 2.12 0.12 -1.06 118.70 123.09 2kuq s GLU 39 Ca 0.27 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.71 2kuq s GLU 39 Cb -0.18 -0.44 0.07 0.00 0.26 0.00 0.00 34.13 33.85 2kuq s GLU 39 CO 0.16 -0.16 0.07 -0.51 -0.54 0.00 0.00 175.26 174.29 2kuq s LEU 40 N 1.11 4.43 0.82 2.70 1.02 -1.24 -0.29 118.68 127.23 2kuq s LEU 40 Ca -0.09 -1.59 -0.06 0.00 0.02 0.00 0.00 54.13 52.41 2kuq s LEU 40 Cb -0.13 -1.75 0.17 0.00 0.02 0.00 0.00 46.19 44.50 2kuq s LEU 40 CO -0.02 -0.37 1.13 0.42 0.02 0.00 0.00 176.35 177.53 2kuq s THR 41 N 1.19 2.03 -2.00 5.49 -4.23 -0.70 -4.97 115.64 112.45 2kuq s THR 41 Ca 0.01 -0.41 0.26 0.00 -1.18 0.00 0.00 61.69 60.36 2kuq s THR 41 Cb -0.21 -2.62 0.73 0.00 1.34 0.00 0.00 72.50 71.74 2kuq s THR 41 CO -0.03 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.96 2kuq n GLN 42 N -3.20 0.85 -0.00 3.99 6.02 -1.26 -4.06 117.38 119.72 2kuq n GLN 42 Ca 0.16 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2kuq n GLN 42 Cb 0.60 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.97 4.38 -3.56 1.08 7.64 -1.26 -5.07 113.62 115.86 2kuq n SER 43 Ca 0.19 -0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.99 2kuq n SER 43 Cb 0.09 0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 2kuq n SER 43 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kuq s GLU 44 N -2.01 0.98 0.08 1.43 -1.05 -1.26 -4.06 118.70 112.81 2kuq s GLU 44 Ca -0.00 -0.42 -0.28 0.00 -0.15 0.00 0.00 54.97 54.12 2kuq s GLU 44 Cb 0.00 0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 2kuq s GLU 44 CO 0.01 -0.43 0.90 -1.17 0.95 0.00 0.00 175.26 175.51 2kuq s LEU 45 N -2.63 4.47 0.02 1.83 0.20 -0.21 -1.72 118.68 120.64 2kuq s LEU 45 Ca 0.06 1.67 0.05 0.00 0.69 0.00 0.00 54.13 56.60 2kuq s LEU 45 Cb -0.01 -3.47 -0.02 0.00 -0.43 0.00 0.00 46.19 42.26 2kuq s LEU 45 CO -0.07 -0.05 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.09 2kuq s VAL 46 N 0.05 1.24 -0.06 1.68 1.01 0.60 -1.16 120.40 123.77 2kuq s VAL 46 Ca 0.44 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2kuq s VAL 46 Cb -0.22 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.11 2kuq s VAL 46 CO 0.27 0.20 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 2kuq s LEU 47 N -0.77 0.43 -0.14 3.92 0.20 0.17 -0.70 118.68 121.79 2kuq s LEU 47 Ca 0.05 -0.04 -0.13 0.00 0.69 0.00 0.00 54.13 54.69 2kuq s LEU 47 Cb -0.07 -0.33 -0.05 0.00 -0.43 0.00 0.00 46.19 45.31 2kuq s LEU 47 CO 0.00 -0.22 0.27 -1.00 -0.29 0.00 0.00 176.35 175.12 2kuq s HIS 48 N 2.04 3.50 -0.01 5.38 3.76 -0.24 -0.75 115.29 128.97 2kuq s HIS 48 Ca 0.05 0.61 0.03 0.00 -0.15 0.00 0.00 55.06 55.60 2kuq s HIS 48 Cb -0.12 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.29 2kuq s HIS 48 CO -0.05 0.35 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.58 2kuq s LEU 49 N 0.11 1.98 0.07 0.89 1.43 -1.26 -0.86 118.68 121.04 2kuq s LEU 49 Ca 0.16 -0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 52.77 2kuq s LEU 49 Cb -0.13 -0.53 -0.07 0.00 0.03 0.00 0.00 46.19 45.48 2kuq s LEU 49 CO 0.04 0.12 1.48 -1.00 0.23 0.00 0.00 176.35 177.23 2kuq s HIS 50 N -0.18 2.87 -1.46 0.29 3.76 -1.26 -3.22 115.29 116.08 2kuq s HIS 50 Ca 0.03 0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 55.58 2kuq s HIS 50 Cb -0.05 -3.78 0.05 0.00 1.11 0.00 0.00 32.58 29.91 2kuq s HIS 50 CO -0.00 -2.92 0.66 -2.13 -0.85 0.00 0.00 174.74 169.49 2kuq n ARG 51 N 4.88 -4.06 -3.65 1.40 3.00 -1.26 -4.97 116.66 112.00 2kuq n ARG 51 Ca 0.13 0.48 -0.10 0.00 -0.00 0.00 0.00 57.85 58.36 2kuq n ARG 51 Cb 0.42 -4.96 -0.04 0.00 0.00 0.00 0.00 32.46 27.87 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 -6.51 1.11 0.58 -0.14 0.52 -1.20 -5.17 118.95 108.14 2kuq s ARG 52 Ca 0.27 -0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 54.56 2kuq s ARG 52 Cb -0.14 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 2kuq s ARG 52 CO 0.87 -0.44 1.13 -1.21 0.02 0.00 0.00 175.30 175.67 2kuq s GLU 53 N -3.82 3.15 0.52 3.54 0.41 -1.26 -4.65 118.70 116.59 2kuq s GLU 53 Ca 0.04 1.56 -0.20 0.00 -0.41 0.00 0.00 54.97 55.96 2kuq s GLU 53 Cb 0.02 -1.98 -0.07 0.00 -1.78 0.00 0.00 34.13 30.32 2kuq s GLU 53 CO -0.11 -1.00 1.12 0.00 -0.49 0.00 0.00 175.26 174.78 2kuq s ALA 54 N -1.94 2.78 -0.12 5.21 0.00 -1.26 -4.50 121.76 121.93 2kuq s ALA 54 Ca 0.71 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.50 2kuq s ALA 54 Cb -0.23 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kuq s ALA 54 CO 0.32 -0.66 -0.21 0.08 0.00 0.00 0.00 175.76 175.29 2kuq s VAL 55 N -1.77 2.23 -0.04 0.00 1.01 0.07 -4.98 120.40 116.91 2kuq s VAL 55 Ca 0.70 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2kuq s VAL 55 Cb -0.23 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2kuq s VAL 55 CO 0.27 0.55 -0.24 -0.13 0.00 0.00 0.00 175.10 175.55 2kuq s ARG 56 N 0.51 2.28 -0.21 2.72 0.52 -1.26 -0.66 118.95 122.85 2kuq s ARG 56 Ca -0.14 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.20 2kuq s ARG 56 Cb -0.17 -2.01 0.06 0.00 0.52 0.00 0.00 34.95 33.35 2kuq s ARG 56 CO 0.05 0.41 0.00 -1.58 0.02 0.00 0.00 175.30 174.20 2kuq s TRP 57 N -0.26 1.59 0.39 -0.53 0.51 -0.31 -4.57 118.94 115.77 2kuq s TRP 57 Ca 0.00 -1.24 -0.26 0.00 -2.12 0.00 0.00 56.10 52.47 2kuq s TRP 57 Cb -0.12 -1.27 -0.09 0.00 -0.81 0.00 0.00 33.47 31.18 2kuq s TRP 57 CO 0.02 -0.68 1.29 -1.25 -0.51 0.00 0.00 176.95 175.81 2kuq s PRO 58 N 1.67 4.06 0.48 4.98 0.04 -1.26 -1.04 135.00 143.92 2kuq s PRO 58 Ca -0.03 2.13 0.32 0.00 0.04 0.00 0.00 61.00 63.47 2kuq s PRO 58 Cb -0.18 -2.82 1.61 0.00 0.04 0.00 0.00 34.50 33.15 2kuq s PRO 58 CO -0.08 -0.40 1.98 1.88 0.04 0.00 0.00 177.00 180.42 2kuq h TYR 59 N 2.83 0.00 0.00 0.56 0.05 -1.93 -1.45 116.97 117.03 2kuq h TYR 59 Ca -0.49 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.25 2kuq h TYR 59 Cb 1.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 2kuq h TYR 59 CO 0.54 0.00 -0.17 1.37 -1.05 0.00 0.00 178.16 178.85 2kuq h LEU 60 N 0.00 0.00 -0.11 3.88 8.10 -1.91 -3.12 115.31 122.15 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 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 2kuq h LEU 60 CO 0.00 0.17 -0.43 0.00 -4.11 0.00 0.00 178.44 174.07 2kuq s LEU 62 N -2.88 3.65 0.24 0.00 1.43 -1.18 -0.80 118.68 119.14 2kuq s LEU 62 Ca 0.14 1.06 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 2kuq s LEU 62 Cb 0.18 -3.54 0.24 0.00 0.03 0.00 0.00 46.19 43.10 2kuq s LEU 62 CO 0.65 -1.41 1.54 0.03 0.23 0.00 0.00 176.35 177.40 2kuq h ARG 63 N 10.86 0.11 -1.50 1.70 2.47 -1.51 -3.43 114.38 123.08 2kuq h ARG 63 Ca -0.29 -0.09 0.28 0.00 -1.26 0.00 0.00 59.98 58.62 2kuq h ARG 63 Cb 1.12 0.02 -0.16 0.00 -1.65 0.00 0.00 29.97 29.30 2kuq h ARG 63 CO 1.06 0.74 0.80 -0.98 0.56 0.00 0.00 179.97 182.15 2kuq s ARG 64 N -3.56 0.37 0.10 0.04 1.70 -1.25 -4.59 118.95 111.76 2kuq s ARG 64 Ca -0.02 -0.17 -0.16 0.00 -0.47 0.00 0.00 55.73 54.91 2kuq s ARG 64 Cb 0.12 0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.68 2kuq s ARG 64 CO 0.79 -0.17 0.39 1.52 -1.08 0.00 0.00 175.30 176.75 2kuq s TYR 65 N -2.45 -0.20 0.17 5.89 -0.85 -0.88 -1.25 117.35 117.78 2kuq s TYR 65 Ca 0.11 -0.04 -0.23 0.00 -0.52 0.00 0.00 57.07 56.39 2kuq s TYR 65 Cb 0.01 0.22 0.08 0.00 0.38 0.00 0.00 41.96 42.65 2kuq s TYR 65 CO -0.04 -0.65 1.03 0.20 -1.52 0.00 0.00 175.55 174.57 2kuq s GLY 66 N -2.54 -0.00 0.06 5.49 0.00 -0.03 -0.78 107.32 109.52 2kuq s GLY 66 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.38 2kuq s GLY 66 CO -0.09 1.70 0.41 -2.52 0.00 0.00 0.00 173.10 172.60 2kuq s TYR 67 N -2.47 -0.25 0.11 1.90 1.13 -1.24 -1.59 117.35 114.95 2kuq s TYR 67 Ca 0.19 0.17 0.02 0.00 -1.41 0.00 0.00 57.07 56.03 2kuq s TYR 67 Cb -0.02 0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 41.06 2kuq s TYR 67 CO 0.04 -0.59 0.12 -3.47 -2.51 0.00 0.00 175.55 169.14 2kuq n ASP 68 N 0.40 -0.31 -4.58 -0.18 -0.08 0.41 -3.44 116.55 108.78 2kuq n ASP 68 Ca -0.18 -1.71 -0.40 0.00 -1.51 0.00 0.00 54.79 50.99 2kuq n ASP 68 Cb 0.60 0.66 -0.03 0.00 2.34 0.00 0.00 41.12 44.69 2kuq n ASP 68 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2kuq n SER 69 N -2.37 2.83 -1.98 1.67 3.41 -1.26 -2.02 113.62 113.90 2kuq n SER 69 Ca 0.02 -0.11 -0.21 0.00 -0.26 0.00 0.00 58.87 58.31 2kuq n SER 69 Cb 0.20 -1.56 -0.05 0.00 -0.26 0.00 0.00 64.21 62.54 2kuq n SER 69 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kuq n ASN 70 N 13.53 -5.70 -3.87 4.04 3.02 -1.26 -4.99 115.26 120.02 2kuq n ASN 70 Ca 0.33 0.26 -0.16 0.00 -0.03 0.00 0.00 54.58 54.99 2kuq n ASN 70 Cb 0.49 -4.89 -0.15 0.00 -0.61 0.00 0.00 39.78 34.61 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 -5.37 1.56 -0.07 3.41 2.96 -0.86 -1.18 118.68 119.14 2kuq s LEU 71 Ca 0.00 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2kuq s LEU 71 Cb 0.00 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.49 2kuq s LEU 71 CO 0.00 -0.03 -0.19 0.12 -1.32 0.00 0.00 176.35 174.92 2kuq s PHE 72 N 0.50 2.05 0.01 5.38 5.36 -0.39 -0.44 117.98 130.46 2kuq s PHE 72 Ca -0.05 -0.74 -0.06 0.00 -0.96 0.00 0.00 56.93 55.12 2kuq s PHE 72 Cb -0.08 -1.39 -0.00 0.00 -0.34 0.00 0.00 43.02 41.20 2kuq s PHE 72 CO -0.01 -0.30 0.11 0.45 -1.46 0.00 0.00 175.22 174.01 2kuq s SER 73 N 0.30 0.08 0.06 6.13 0.15 -0.62 -1.01 113.70 118.78 2kuq s SER 73 Ca -0.12 -0.30 -0.14 0.00 0.70 0.00 0.00 55.95 56.08 2kuq s SER 73 Cb -0.15 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 2kuq s SER 73 CO 0.05 -0.39 0.31 0.72 1.20 0.00 0.00 173.24 175.13 2kuq s PHE 74 N -1.62 -0.10 -0.20 3.44 -0.12 -1.04 -0.85 117.98 117.50 2kuq s PHE 74 Ca -0.13 -0.07 -0.02 0.00 -0.05 0.00 0.00 56.93 56.65 2kuq s PHE 74 Cb -0.07 0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.43 2kuq s PHE 74 CO 0.00 -0.53 -0.10 -2.00 -0.05 0.00 0.00 175.22 172.54 2kuq s GLU 75 N -2.79 3.26 -0.03 1.99 2.12 -0.38 -1.92 118.70 120.96 2kuq s GLU 75 Ca -0.03 -0.70 0.01 0.00 0.36 0.00 0.00 54.97 54.61 2kuq s GLU 75 Cb -0.00 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 2kuq s GLU 75 CO -0.05 -0.15 -0.02 -1.54 -0.54 0.00 0.00 175.26 172.97 2kuq s SER 76 N 1.27 5.01 0.83 -1.70 1.04 -0.45 -1.24 113.70 118.46 2kuq s SER 76 Ca 0.03 0.00 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 2kuq s SER 76 Cb -0.14 -1.31 0.09 0.00 0.10 0.00 0.00 66.02 64.76 2kuq s SER 76 CO -0.05 0.31 1.11 -0.83 0.98 0.00 0.00 173.24 174.76 2kuq s GLY 77 N -1.30 1.67 0.53 7.32 0.00 0.02 -3.00 107.32 112.56 2kuq s GLY 77 Ca 0.17 0.33 0.35 0.00 0.00 0.00 0.00 44.72 45.57 2kuq s GLY 77 CO 0.07 0.71 2.07 0.07 0.00 0.00 0.00 173.10 176.02 2kuq h ARG 78 N -1.41 0.00 -3.69 2.90 -0.00 -1.89 -3.32 114.38 106.96 2kuq h ARG 78 Ca -0.44 0.00 -0.79 0.00 -0.00 0.00 0.00 59.98 58.74 2kuq h ARG 78 Cb 1.25 0.00 -0.27 0.00 -0.00 0.00 0.00 29.97 30.95 2kuq h ARG 78 CO 0.49 0.00 0.54 1.03 -0.00 0.00 0.00 179.97 182.03 2kuq s ARG 79 N -3.81 4.19 0.21 0.08 0.52 -1.26 -4.18 118.95 114.70 2kuq s ARG 79 Ca -0.02 -3.16 -0.23 0.00 -0.52 0.00 0.00 55.73 51.81 2kuq s ARG 79 Cb 0.10 -4.61 0.05 0.00 0.52 0.00 0.00 34.95 31.02 2kuq s ARG 79 CO 0.41 -1.29 0.89 0.00 0.02 0.00 0.00 175.30 175.33 2kuq h GLN 81 N 2.00 0.00 -0.01 0.00 4.15 -1.93 -2.37 115.11 116.95 2kuq h GLN 81 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2kuq h GLN 81 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2kuq h GLN 81 CO 0.27 0.04 -0.71 0.25 -1.93 0.00 0.00 178.83 176.75 2kuq n THR 82 N -3.98 0.00 -3.43 2.39 -2.24 -1.26 -5.11 114.28 100.65 2kuq n THR 82 Ca -0.03 -0.15 0.01 0.00 -2.27 0.00 0.00 64.05 61.62 2kuq n THR 82 Cb 0.12 1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.43 -1.84 3.74 3.38 0.00 -0.89 -4.85 105.19 106.17 2kuq n GLY 83 Ca 0.06 -1.32 -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 -0.32 4.22 -0.08 1.61 2.00 -1.25 -4.70 119.66 121.15 2kuq s GLN 84 Ca 0.00 2.38 -0.31 0.00 -2.00 0.00 0.00 55.36 55.44 2kuq s GLN 84 Cb 0.00 -3.11 0.10 0.00 0.80 0.00 0.00 33.01 30.81 2kuq s GLN 84 CO 0.00 -0.53 1.36 0.20 -0.50 0.00 0.00 175.29 175.82 2kuq s GLY 85 N 0.65 -0.23 -0.12 2.59 0.00 -1.16 -5.00 107.32 104.05 2kuq s GLY 85 Ca 0.64 0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.60 2kuq s GLY 85 CO 0.40 5.84 -0.12 -0.42 0.00 0.00 0.00 173.10 178.80 2kuq s ILE 86 N -2.02 1.30 -0.14 0.90 1.01 -1.26 -1.35 121.20 119.65 2kuq s ILE 86 Ca 0.30 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.47 2kuq s ILE 86 Cb 0.01 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.24 2kuq s ILE 86 CO -0.03 0.41 -0.19 -0.36 0.00 0.00 0.00 174.94 174.77 2kuq s PHE 87 N 1.36 2.72 -0.04 3.97 0.08 -0.81 -1.15 117.98 124.11 2kuq s PHE 87 Ca 0.00 -1.16 0.05 0.00 0.12 0.00 0.00 56.93 55.94 2kuq s PHE 87 Cb -0.14 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 2kuq s PHE 87 CO -0.06 -0.52 -0.20 0.00 -0.10 0.00 0.00 175.22 174.34 2kuq s ALA 88 N 0.76 1.72 -0.02 5.36 0.00 -1.26 -2.50 121.76 125.82 2kuq s ALA 88 Ca -0.07 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2kuq s ALA 88 Cb -0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2kuq s ALA 88 CO 0.00 0.35 -0.14 -0.06 0.00 0.00 0.00 175.76 175.91 2kuq s PHE 89 N -0.17 1.31 -0.31 0.00 0.40 -0.18 -1.59 117.98 117.46 2kuq s PHE 89 Ca -0.00 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.90 2kuq s PHE 89 Cb -0.11 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 2kuq s PHE 89 CO 0.02 -0.06 0.34 0.21 0.70 0.00 0.00 175.22 176.42 2kuq s LYS 90 N -0.17 3.78 -0.29 0.44 2.20 -0.02 -1.26 119.74 124.42 2kuq s LYS 90 Ca 0.02 -0.24 -0.18 0.00 -0.36 0.00 0.00 55.97 55.21 2kuq s LYS 90 Cb -0.07 -3.73 0.15 0.00 -1.51 0.00 0.00 37.83 32.66 2kuq s LYS 90 CO 0.00 -0.38 1.01 0.00 -0.36 0.00 0.00 175.35 175.62 2kuq h SER 92 N 5.62 0.00 -0.51 0.00 4.64 -1.94 -2.63 113.55 118.73 2kuq h SER 92 Ca -0.28 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 2kuq h SER 92 Cb 1.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 2kuq h SER 92 CO 0.18 0.07 0.13 -2.11 -0.87 0.00 0.00 176.83 174.23 2kuq n ARG 93 N -3.26 3.34 -0.05 4.77 1.85 -1.26 -4.54 116.66 117.50 2kuq n ARG 93 Ca -0.01 -2.29 0.18 0.00 -1.00 0.00 0.00 57.85 54.74 2kuq n ARG 93 Cb 0.28 -2.01 0.62 0.00 -1.05 0.00 0.00 32.46 30.29 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 2.87 2.35 -0.46 2.89 0.00 -1.80 -2.38 119.26 122.73 2kuq h ALA 94 Ca 0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2kuq h ALA 94 Cb 1.81 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2kuq h ALA 94 CO 0.49 -0.51 -0.23 1.49 0.00 0.00 0.00 179.25 180.49 2kuq h GLU 95 N 0.16 0.96 -0.26 0.00 4.81 -1.87 -1.94 114.58 116.43 2kuq h GLU 95 Ca 0.29 -0.42 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 2kuq h GLU 95 Cb 0.92 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2kuq h GLU 95 CO -0.04 1.09 -0.40 0.93 -0.73 0.00 0.00 179.01 179.86 2kuq h GLU 96 N 0.80 0.60 -0.31 1.92 3.07 -1.80 -0.45 114.58 118.42 2kuq h GLU 96 Ca 0.10 -0.31 -0.03 0.00 -0.50 0.00 0.00 59.36 58.63 2kuq h GLU 96 Cb 0.81 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 2kuq h GLU 96 CO 0.07 0.90 0.09 0.82 -1.40 0.00 0.00 179.01 179.49 2kuq h ILE 97 N 0.50 1.21 -0.44 3.13 2.04 -1.42 -0.99 117.51 121.54 2kuq h ILE 97 Ca 0.04 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2kuq h ILE 97 Cb 0.91 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2kuq h ILE 97 CO 0.08 0.23 0.26 0.15 0.00 0.00 0.00 178.15 178.86 2kuq h PHE 98 N 0.34 0.59 -0.66 1.37 3.57 -1.19 -0.31 116.94 120.65 2kuq h PHE 98 Ca 0.10 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2kuq h PHE 98 Cb 0.26 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2kuq h PHE 98 CO 0.01 0.43 0.41 -0.91 -2.23 0.00 0.00 178.31 176.02 2kuq h ASN 99 N 0.58 0.79 -0.44 0.41 2.35 -1.02 -1.83 115.58 116.42 2kuq h ASN 99 Ca 0.16 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2kuq h ASN 99 Cb 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2kuq h ASN 99 CO -0.03 0.60 0.19 0.25 -1.65 0.00 0.00 177.43 176.80 2kuq h LEU 100 N 0.90 0.59 -0.13 1.61 5.85 -0.96 -2.15 115.31 121.03 2kuq h LEU 100 Ca 0.24 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2kuq h LEU 100 Cb -0.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2kuq h LEU 100 CO -0.05 0.57 0.06 0.25 -0.34 0.00 0.00 178.44 178.94 2kuq h LEU 101 N 0.57 0.09 -1.09 2.25 5.85 -0.74 -2.38 115.31 119.85 2kuq h LEU 101 Ca 0.15 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2kuq h LEU 101 Cb 0.15 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kuq h LEU 101 CO -0.02 0.07 -0.45 0.06 -0.34 0.00 0.00 178.44 177.77 2kuq h GLN 102 N 0.14 0.00 -0.55 1.25 3.07 -1.33 -2.15 115.11 115.53 2kuq h GLN 102 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 2kuq h GLN 102 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.54 2kuq h GLN 102 CO -0.04 0.45 0.31 0.22 0.09 0.00 0.00 178.83 179.87 2kuq h ASP 103 N 0.00 0.68 1.16 0.06 3.58 -1.09 -0.56 116.42 120.25 2kuq h ASP 103 Ca -0.00 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.27 2kuq h ASP 103 Cb 0.80 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2kuq h ASP 103 CO 0.06 0.57 -0.41 -0.07 -2.88 0.00 0.00 179.24 176.50 2kuq h LEU 104 N 0.74 0.00 0.00 2.28 3.38 -1.25 -3.10 115.31 117.37 2kuq h LEU 104 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2kuq h LEU 104 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kuq h LEU 104 CO -0.03 0.41 -1.68 0.23 0.09 0.00 0.00 178.44 177.46 2kuq n MET 105 N -3.36 0.64 0.12 1.13 2.81 -0.82 -4.24 117.12 113.40 2kuq n MET 105 Ca 0.01 -0.09 0.08 0.00 -1.81 0.00 0.00 57.70 55.89 2kuq n MET 105 Cb 0.60 -1.62 0.03 0.00 -0.71 0.00 0.00 33.22 31.52 2kuq n MET 105 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 2kuq h GLN 106 N 0.00 0.00 -6.14 0.03 3.07 -1.16 -3.44 115.11 107.47 2kuq h GLN 106 Ca -0.01 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.12 2kuq h GLN 106 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.60 2kuq h GLN 106 CO 0.00 0.12 1.32 0.00 0.09 0.00 0.00 178.83 180.36 2kuq n ASN 108 N 9.12 -5.43 -0.44 0.00 2.85 -1.26 -4.88 115.26 115.22 2kuq n ASN 108 Ca 0.28 0.49 0.04 0.00 -0.11 0.00 0.00 54.58 55.28 2kuq n ASN 108 Cb 0.36 -4.66 0.09 0.00 1.24 0.00 0.00 39.78 36.81 2kuq n ASN 108 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2kuq n SER 109 N -1.23 2.35 -4.38 1.20 2.88 -0.35 -4.94 113.62 109.14 2kuq n SER 109 Ca -0.20 -1.76 -0.45 0.00 -1.33 0.00 0.00 58.87 55.14 2kuq n SER 109 Cb 0.66 -0.11 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 2kuq n SER 109 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kuq s ILE 110 N -0.90 4.84 -0.00 2.46 1.01 -1.26 -4.83 121.20 122.53 2kuq s ILE 110 Ca 0.15 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2kuq s ILE 110 Cb 0.09 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2kuq s ILE 110 CO 0.12 -1.07 0.06 0.59 0.00 0.00 0.00 174.94 174.63 2kuq n ASN 111 N 6.27 4.37 -3.68 3.58 3.02 -1.26 -5.08 115.26 122.48 2kuq n ASN 111 Ca -0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.31 2kuq n ASN 111 Cb 0.43 1.10 -0.07 0.00 -0.61 0.00 0.00 39.78 40.63 2kuq n ASN 111 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kuq s VAL 112 N -2.19 0.04 0.67 2.41 1.01 -1.26 -5.17 120.40 115.91 2kuq s VAL 112 Ca -0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2kuq s VAL 112 Cb 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2kuq s VAL 112 CO 0.11 -0.19 0.77 1.15 0.00 0.00 0.00 175.10 176.94 2kuq n MET 113 N 0.98 0.54 -3.35 2.72 0.00 -1.26 -5.00 117.12 111.75 2kuq n MET 113 Ca -0.20 0.23 -0.33 0.00 0.00 0.00 0.00 57.70 57.40 2kuq n MET 113 Cb 0.57 -2.01 -0.06 0.00 0.00 0.00 0.00 33.22 31.72 2kuq n MET 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 2kuq s GLU 114 N -2.82 3.88 0.51 3.17 -1.05 -1.26 -5.09 118.70 116.03 2kuq s GLU 114 Ca 0.71 0.39 -0.19 0.00 -0.15 0.00 0.00 54.97 55.73 2kuq s GLU 114 Cb -0.38 -2.66 -0.07 0.00 -0.44 0.00 0.00 34.13 30.57 2kuq s GLU 114 CO 0.52 0.32 1.04 -1.21 0.95 0.00 0.00 175.26 176.88 2kuq s GLU 115 N -2.68 3.69 0.96 -4.83 0.41 -1.26 -5.08 118.70 109.92 2kuq s GLU 115 Ca 0.47 1.33 -0.13 0.00 -0.41 0.00 0.00 54.97 56.22 2kuq s GLU 115 Cb -0.12 -2.08 0.17 0.00 -1.78 0.00 0.00 34.13 30.32 2kuq s GLU 115 CO 0.20 -0.52 1.14 -1.25 -0.49 0.00 0.00 175.26 174.34 2kuq s PRO 116 N -3.43 0.70 0.03 0.39 0.04 -1.26 -5.03 135.00 126.44 2kuq s PRO 116 Ca 0.66 0.26 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 2kuq s PRO 116 Cb -0.16 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2kuq s PRO 116 CO 0.24 -2.49 0.65 0.08 0.04 0.00 0.00 177.00 175.52 2kuq s VAL 117 N -3.22 4.79 -0.01 -0.36 1.01 -1.26 -5.09 120.40 116.26 2kuq s VAL 117 Ca 0.65 1.38 0.07 0.00 0.00 0.00 0.00 61.98 64.08 2kuq s VAL 117 Cb -0.14 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2kuq s VAL 117 CO 0.54 0.43 -0.22 -0.63 0.00 0.00 0.00 175.10 175.23 2kuq s ILE 118 N -0.36 1.72 -0.15 2.22 1.09 -1.26 -5.15 121.20 119.31 2kuq s ILE 118 Ca 0.33 -0.96 -0.08 0.00 -1.10 0.00 0.00 60.65 58.85 2kuq s ILE 118 Cb -0.19 -1.43 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 2kuq s ILE 118 CO 0.20 0.46 0.13 -0.63 -0.10 0.00 0.00 174.94 174.99 2kuq s ILE 119 N -0.54 5.39 -0.10 2.92 1.01 -1.26 -5.08 121.20 123.54 2kuq s ILE 119 Ca 0.08 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2kuq s ILE 119 Cb -0.08 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 39.02 2kuq s ILE 119 CO -0.01 0.55 -0.13 -0.89 0.00 0.00 0.00 174.94 174.47 2kuq s THR 120 N -0.47 1.28 -0.19 2.92 2.01 -1.26 -5.06 115.64 114.87 2kuq s THR 120 Ca 0.12 -0.51 0.16 0.00 0.31 0.00 0.00 61.69 61.77 2kuq s THR 120 Cb -0.12 -1.20 0.07 0.00 0.01 0.00 0.00 72.50 71.27 2kuq s THR 120 CO 0.02 0.40 1.37 0.28 -0.69 0.00 0.00 174.62 176.00 2kuq h SER 121 N 7.45 0.00 -2.22 3.53 0.02 -2.04 -3.49 113.55 116.81 2kuq h SER 121 Ca -0.31 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.43 2kuq h SER 121 Cb 1.17 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.73 2kuq h SER 121 CO 0.47 0.43 -0.30 0.61 -1.14 0.00 0.00 176.83 176.90 2kuq n GLY 122 N 1.23 0.02 3.71 -3.77 0.00 -1.26 -4.99 105.19 100.13 2kuq n GLY 122 Ca 0.01 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2kuq n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kuq n SER 123 N -0.32 2.13 0.00 1.61 7.64 -1.26 -3.10 113.62 120.32 2kuq n SER 123 Ca -0.08 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.70 2kuq n SER 123 Cb 0.57 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2kuq n SER 123 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kuq n SER 124 N -1.22 -3.68 -3.54 6.43 2.88 -1.26 -4.96 113.62 108.27 2kuq n SER 124 Ca 0.13 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.28 2kuq n SER 124 Cb 0.46 -1.36 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 2kuq n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 125 N -1.81 3.82 2.52 0.46 0.00 -1.18 -4.87 105.19 104.13 2kuq n GLY 125 Ca 0.00 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 2kuq n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kuq n SER 126 N 5.60 6.47 -4.66 1.61 3.41 -1.26 -4.96 113.62 119.83 2kuq n SER 126 Ca 0.57 -2.58 -0.43 0.00 -0.26 0.00 0.00 58.87 56.17 2kuq n SER 126 Cb 0.32 -1.45 -0.02 0.00 -0.26 0.00 0.00 64.21 62.80 2kuq n SER 126 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kuq s SER 127 N 2.86 6.81 0.00 4.04 1.04 -1.26 -4.95 113.70 122.24 2kuq s SER 127 Ca 0.58 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.96 2kuq s SER 127 Cb 0.15 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2kuq s SER 127 CO -0.05 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2kuq n GLY 128 N 3.87 -0.51 3.53 7.32 0.00 -1.26 -5.10 105.19 113.04 2kuq n GLY 128 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2kuq n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 129 N -3.63 -0.43 0.00 1.61 0.15 -1.26 -5.06 113.70 105.08 2kuq s SER 129 Ca 0.00 0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.96 2kuq s SER 129 Cb 0.00 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2kuq s SER 129 CO 0.00 -0.52 0.67 -1.54 1.20 0.00 0.00 173.24 173.05 2kuq n SER 130 N 0.38 1.35 0.00 5.45 3.41 -1.26 -5.13 113.62 117.82 2kuq n SER 130 Ca -0.12 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 2kuq n SER 130 Cb 0.59 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2kuq n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kuq n GLY 131 N -0.08 -0.05 3.20 5.00 0.00 -1.26 -4.76 105.19 107.23 2kuq n GLY 131 Ca 0.01 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 2kuq n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 132 N -4.00 3.22 -0.39 1.61 0.15 -1.26 -5.03 113.70 108.00 2kuq s SER 132 Ca 0.00 -0.57 0.10 0.00 0.70 0.00 0.00 55.95 56.18 2kuq s SER 132 Cb 0.00 -1.46 0.39 0.00 -1.71 0.00 0.00 66.02 63.24 2kuq s SER 132 CO 0.00 0.09 1.34 -1.20 1.20 0.00 0.00 173.24 174.67 2kuq n SER 133 N 3.98 -1.72 0.00 5.45 7.64 -1.26 -5.12 113.62 122.60 2kuq n SER 133 Ca -0.20 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.21 2kuq n SER 133 Cb 0.52 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 134 N -0.58 1.16 3.71 0.23 0.00 -1.26 -4.80 105.19 103.66 2kuq n GLY 134 Ca -0.02 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 4.36 -0.13 0.99 1.43 -1.26 -4.97 118.68 119.09 2kuq s LEU 135 Ca 0.00 2.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 2kuq s LEU 135 Cb 0.00 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2kuq s LEU 135 CO 0.00 -0.53 1.17 0.12 0.23 0.00 0.00 176.35 177.34 2kuq s PHE 136 N 1.25 3.12 -0.52 0.29 2.19 -1.26 -5.00 117.98 118.05 2kuq s PHE 136 Ca 0.60 1.22 -0.22 0.00 0.33 0.00 0.00 56.93 58.86 2kuq s PHE 136 Cb -0.31 -3.40 0.04 0.00 -1.31 0.00 0.00 43.02 38.05 2kuq s PHE 136 CO 0.29 -1.19 0.80 1.03 1.83 0.00 0.00 175.22 177.98 2kuq s ARG 137 N 2.84 3.27 0.38 10.12 0.52 -1.26 -4.53 118.95 130.29 2kuq s ARG 137 Ca 0.53 -0.44 -0.26 0.00 -0.52 0.00 0.00 55.73 55.03 2kuq s ARG 137 Cb -0.21 -4.04 -0.09 0.00 0.52 0.00 0.00 34.95 31.13 2kuq s ARG 137 CO 0.16 -1.32 1.16 -0.51 0.02 0.00 0.00 175.30 174.81 2kuq s LEU 138 N 3.37 4.25 0.16 2.53 1.43 -0.30 -4.88 118.68 125.25 2kuq s LEU 138 Ca 0.25 2.34 0.08 0.00 -1.03 0.00 0.00 54.13 55.77 2kuq s LEU 138 Cb -0.15 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 42.06 2kuq s LEU 138 CO 0.17 -0.58 1.37 0.03 0.23 0.00 0.00 176.35 177.57 2kuq h ARG 139 N 2.83 0.01 -4.97 1.70 -0.00 -1.97 -3.35 114.38 108.63 2kuq h ARG 139 Ca -0.48 -0.01 -0.32 0.00 -0.50 0.00 0.00 59.98 58.67 2kuq h ARG 139 Cb 1.23 0.00 -0.17 0.00 0.00 0.00 0.00 29.97 31.03 2kuq h ARG 139 CO 0.63 0.90 -0.73 -1.01 0.00 0.00 0.00 179.97 179.77 2kuq s HIS 140 N -2.96 1.09 -0.08 3.04 3.76 -1.26 -5.06 115.29 113.82 2kuq s HIS 140 Ca 0.00 -0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 53.92 2kuq s HIS 140 Cb 0.11 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 2kuq s HIS 140 CO 0.81 0.01 1.17 0.12 -0.85 0.00 0.00 174.74 176.00 2kuq s PHE 141 N -2.67 3.20 -0.25 1.40 5.36 -1.26 -4.96 117.98 118.80 2kuq s PHE 141 Ca 0.08 1.25 0.22 0.00 -0.96 0.00 0.00 56.93 57.52 2kuq s PHE 141 Cb -0.01 -3.39 0.04 0.00 -0.34 0.00 0.00 43.02 39.31 2kuq s PHE 141 CO -0.00 -1.17 1.11 -1.00 -1.46 0.00 0.00 175.22 172.70 2kuq h PRO 142 N 7.49 0.00 -5.56 10.12 0.13 -1.99 -3.47 132.00 138.72 2kuq h PRO 142 Ca -0.32 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.21 2kuq h PRO 142 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 2kuq h PRO 142 CO 0.89 0.03 -0.33 0.00 -0.23 0.00 0.00 178.00 178.36 2kuq h GLY 144 N 6.31 0.50 -5.54 0.00 0.00 -1.91 -3.37 103.07 99.06 2kuq h GLY 144 Ca -0.44 -0.62 -0.70 0.00 0.00 0.00 0.00 47.33 45.57 2kuq h GLY 144 CO 0.73 0.56 3.23 0.70 0.00 0.00 0.00 176.54 181.76 2kuq n ASN 145 N -3.91 6.90 -4.74 0.19 3.02 -1.22 -4.96 115.26 110.54 2kuq n ASN 145 Ca -0.03 -2.80 -0.41 0.00 -0.03 0.00 0.00 54.58 51.31 2kuq n ASN 145 Cb 0.63 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.23 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 1.72 2.82 0.03 2.41 1.01 -1.26 -3.65 120.40 123.49 2kuq s VAL 146 Ca 0.58 0.67 0.02 0.00 0.00 0.00 0.00 61.98 63.25 2kuq s VAL 146 Cb 0.16 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2kuq s VAL 146 CO -0.07 0.10 -0.07 0.21 0.00 0.00 0.00 175.10 175.27 2kuq s ASN 147 N 0.46 0.77 0.02 3.32 2.47 0.04 -4.92 114.94 117.10 2kuq s ASN 147 Ca 0.60 -0.43 -0.01 0.00 0.42 0.00 0.00 52.86 53.43 2kuq s ASN 147 Cb -0.40 0.01 -0.04 0.00 -1.45 0.00 0.00 41.25 39.37 2kuq s ASN 147 CO 0.40 -0.14 0.18 -0.31 -3.72 0.00 0.00 177.10 173.51 2kuq s TYR 148 N -1.06 3.50 0.00 0.43 2.02 -1.26 -2.07 117.35 118.91 2kuq s TYR 148 Ca -0.07 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2kuq s TYR 148 Cb -0.08 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2kuq s TYR 148 CO 0.00 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 175.01 2kuq n GLY 149 N 0.75 0.79 3.54 0.71 0.00 -1.26 -5.00 105.19 104.72 2kuq n GLY 149 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 0.93 0.66 -2.00 1.61 2.02 -1.26 -4.92 117.35 114.39 2kuq s TYR 150 Ca 0.00 0.66 0.09 0.00 -0.37 0.00 0.00 57.07 57.45 2kuq s TYR 150 Cb 0.00 -3.28 0.54 0.00 -0.40 0.00 0.00 41.96 38.82 2kuq s TYR 150 CO 0.00 -3.92 0.98 0.00 -1.57 0.00 0.00 175.55 171.03 2kuq n GLN 151 N -4.84 0.45 -2.30 -0.62 10.64 -1.26 -4.83 117.38 114.63 2kuq n GLN 151 Ca 0.10 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.21 2kuq n GLN 151 Cb 0.59 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 2kuq n GLN 151 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2kuq n GLN 152 N -0.82 -1.00 0.00 2.61 -0.06 -1.26 -5.25 117.38 111.60 2kuq n GLN 152 Ca 0.07 0.31 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 2kuq n GLN 152 Cb 0.03 -4.04 0.00 0.00 -4.06 0.00 0.00 30.24 22.17 2kuq n GLN 152 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86