#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 0.01 0.33 1.61 0.01 -1.26 -5.20 113.70 109.21 2kuq s SER 2 Ca 0.00 -1.09 -0.13 0.00 1.31 0.00 0.00 55.95 56.04 2kuq s SER 2 Cb 0.00 0.50 0.03 0.00 0.21 0.00 0.00 66.02 66.75 2kuq s SER 2 CO 0.00 -1.01 0.66 -0.55 0.41 0.00 0.00 173.24 172.75 2kuq s SER 3 N -3.06 0.14 0.46 2.44 0.15 -1.26 -5.17 113.70 107.40 2kuq s SER 3 Ca 0.28 -1.09 -0.23 0.00 0.70 0.00 0.00 55.95 55.62 2kuq s SER 3 Cb 0.02 0.75 -0.08 0.00 -1.71 0.00 0.00 66.02 65.01 2kuq s SER 3 CO 0.09 -1.45 1.14 -0.83 1.20 0.00 0.00 173.24 173.38 2kuq s GLY 4 N -3.07 2.74 -0.27 9.45 0.00 -1.26 -5.06 107.32 109.86 2kuq s GLY 4 Ca 0.19 0.87 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 2kuq s GLY 4 CO 0.12 1.30 0.47 -1.35 0.00 0.00 0.00 173.10 173.65 2kuq s SER 5 N -1.47 -0.47 0.00 1.64 1.04 -1.26 -4.92 113.70 108.27 2kuq s SER 5 Ca 0.64 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2kuq s SER 5 Cb -0.26 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.43 2kuq s SER 5 CO 0.32 -0.28 0.00 -1.20 0.98 0.00 0.00 173.24 173.06 2kuq n SER 6 N 5.39 -3.36 -4.86 7.02 7.64 -1.26 -4.99 113.62 119.21 2kuq n SER 6 Ca -0.03 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.51 2kuq n SER 6 Cb 0.50 -2.63 -0.06 0.00 -1.01 0.00 0.00 64.21 61.02 2kuq n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kuq s GLY 7 N -2.00 2.39 -0.12 0.23 0.00 -1.26 -5.10 107.32 101.46 2kuq s GLY 7 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 2kuq s GLY 7 CO 0.00 0.03 0.87 0.48 0.00 0.00 0.00 173.10 174.48 2kuq s LEU 8 N -2.27 -0.49 0.05 0.66 2.34 -1.26 -5.10 118.68 112.61 2kuq s LEU 8 Ca 0.41 0.53 -0.30 0.00 0.06 0.00 0.00 54.13 54.83 2kuq s LEU 8 Cb -0.13 2.13 -0.04 0.00 -0.56 0.00 0.00 46.19 47.59 2kuq s LEU 8 CO 0.20 -0.45 0.98 0.54 -1.06 0.00 0.00 176.35 176.55 2kuq s ASN 9 N -1.14 7.42 0.00 1.48 4.22 -1.26 -4.97 114.94 120.68 2kuq s ASN 9 Ca -0.05 1.72 0.20 0.00 -2.14 0.00 0.00 52.86 52.58 2kuq s ASN 9 Cb -0.00 -2.58 0.54 0.00 1.28 0.00 0.00 41.25 40.49 2kuq s ASN 9 CO 0.05 -0.19 1.45 0.54 -2.04 0.00 0.00 177.10 176.91 2kuq n ARG 10 N 3.45 2.70 -4.02 3.55 1.74 -1.26 -4.95 116.66 117.87 2kuq n ARG 10 Ca 0.05 -2.46 -0.10 0.00 -0.77 0.00 0.00 57.85 54.56 2kuq n ARG 10 Cb 0.50 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.38 2kuq n ARG 10 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2kuq s ASP 11 N -1.05 0.04 0.09 0.55 1.47 -1.26 -4.88 116.67 111.63 2kuq s ASP 11 Ca 0.41 -0.99 0.24 0.00 1.18 0.00 0.00 52.55 53.39 2kuq s ASP 11 Cb 0.22 0.46 0.25 0.00 -0.34 0.00 0.00 42.92 43.51 2kuq s ASP 11 CO 0.29 -0.94 1.22 -1.20 0.68 0.00 0.00 175.17 175.22 2kuq n SER 12 N -0.26 0.66 -3.17 2.11 7.64 -1.26 -4.92 113.62 114.42 2kuq n SER 12 Ca -0.04 -0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.89 2kuq n SER 12 Cb 0.63 0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 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 -3.17 -0.10 0.61 0.44 0.11 -1.26 -5.18 120.40 111.85 2kuq s VAL 13 Ca 0.05 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.02 2kuq s VAL 13 Cb 0.14 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2kuq s VAL 13 CO 0.75 0.00 0.97 -2.16 -3.33 0.00 0.00 175.10 171.32 2kuq s PRO 14 N 2.66 3.16 0.00 1.54 0.04 -1.26 -4.73 135.00 136.40 2kuq s PRO 14 Ca -0.05 0.33 0.14 0.00 0.04 0.00 0.00 61.00 61.46 2kuq s PRO 14 Cb -0.06 -2.17 0.81 0.00 0.04 0.00 0.00 34.50 33.12 2kuq s PRO 14 CO -0.11 -0.68 1.30 -3.47 0.04 0.00 0.00 177.00 174.08 2kuq n ASP 15 N -2.69 0.00 -0.21 6.66 2.03 -1.26 -3.48 116.55 117.60 2kuq n ASP 15 Ca 0.05 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.44 2kuq n ASP 15 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kuq n ASN 16 N -0.82 0.00 -4.61 1.67 6.94 -1.26 -5.09 115.26 112.10 2kuq n ASN 16 Ca 0.10 -1.36 -0.45 0.00 -0.02 0.00 0.00 54.58 52.84 2kuq n ASN 16 Cb 0.05 -0.07 -0.02 0.00 -2.36 0.00 0.00 39.78 37.37 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 2kuq n HIS 17 N 0.00 1.51 0.23 -2.53 -0.00 -1.23 -4.93 115.22 108.27 2kuq n HIS 17 Ca 0.00 0.64 0.11 0.00 0.46 0.00 0.00 57.72 58.94 2kuq n HIS 17 Cb 0.57 -2.30 0.49 0.00 -0.12 0.00 0.00 29.99 28.63 2kuq n HIS 17 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kuq h PRO 18 N 2.72 0.00 0.00 1.57 0.13 -1.97 -3.34 132.00 131.11 2kuq h PRO 18 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kuq h PRO 18 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2kuq h PRO 18 CO 0.65 0.18 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 2kuq n THR 19 N -3.32 0.19 -5.09 1.56 -2.24 -1.26 -5.06 114.28 99.06 2kuq n THR 19 Ca 0.00 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 2kuq n THR 19 Cb 0.41 1.21 -0.17 0.00 -2.10 0.00 0.00 70.33 69.69 2kuq n THR 19 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kuq s LYS 20 N -0.19 2.47 -0.04 -0.78 2.47 -1.25 -2.22 119.74 120.21 2kuq s LYS 20 Ca 0.00 -0.78 -0.01 0.00 -1.56 0.00 0.00 55.97 53.61 2kuq s LYS 20 Cb 0.00 -2.00 0.03 0.00 -1.46 0.00 0.00 37.83 34.40 2kuq s LYS 20 CO 0.00 0.25 0.07 -0.06 0.16 0.00 0.00 175.35 175.77 2kuq s PHE 21 N 0.13 -0.05 0.18 4.03 0.08 -0.11 -4.48 117.98 117.76 2kuq s PHE 21 Ca -0.10 0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.91 2kuq s PHE 21 Cb -0.15 -0.17 -0.09 0.00 -0.57 0.00 0.00 43.02 42.04 2kuq s PHE 21 CO 0.05 -0.11 1.37 0.15 -0.10 0.00 0.00 175.22 176.58 2kuq s LYS 22 N 1.05 4.34 0.05 0.44 -0.14 -1.26 -0.56 119.74 123.66 2kuq s LYS 22 Ca -0.09 2.12 -0.01 0.00 -1.36 0.00 0.00 55.97 56.64 2kuq s LYS 22 Cb -0.12 -3.19 -0.04 0.00 -1.68 0.00 0.00 37.83 32.80 2kuq s LYS 22 CO -0.04 -0.35 -0.04 0.14 -0.76 0.00 0.00 175.35 174.30 2kuq s VAL 23 N 0.40 0.28 -0.04 3.17 -7.23 -0.21 -4.83 120.40 111.94 2kuq s VAL 23 Ca 0.60 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2kuq s VAL 23 Cb -0.38 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.12 2kuq s VAL 23 CO 0.37 -0.95 0.05 -0.89 -0.31 0.00 0.00 175.10 173.36 2kuq s THR 24 N -3.72 -0.02 0.33 5.32 2.01 -1.10 -0.79 115.64 117.66 2kuq s THR 24 Ca 0.06 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 2kuq s THR 24 Cb 0.06 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.26 2kuq s THR 24 CO -0.09 0.19 1.25 0.21 -0.69 0.00 0.00 174.62 175.49 2kuq s ASN 25 N 2.06 6.85 0.05 3.53 3.84 -0.53 -0.76 114.94 129.98 2kuq s ASN 25 Ca 0.04 2.57 -0.00 0.00 0.21 0.00 0.00 52.86 55.68 2kuq s ASN 25 Cb -0.12 -2.64 -0.03 0.00 -0.55 0.00 0.00 41.25 37.90 2kuq s ASN 25 CO -0.03 -0.46 -0.04 0.68 -2.79 0.00 0.00 177.10 174.45 2kuq s VAL 26 N -1.17 0.29 0.16 -5.21 -7.23 -0.29 -1.85 120.40 105.10 2kuq s VAL 26 Ca 0.49 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2kuq s VAL 26 Cb -0.37 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.39 2kuq s VAL 26 CO 0.49 -0.83 0.21 -0.90 -0.31 0.00 0.00 175.10 173.76 2kuq n ASP 27 N 0.50 0.13 0.23 4.85 5.75 -1.24 -4.56 116.55 122.22 2kuq n ASP 27 Ca -0.16 -1.15 0.09 0.00 -0.01 0.00 0.00 54.79 53.56 2kuq n ASP 27 Cb 0.59 -0.15 0.58 0.00 -1.03 0.00 0.00 41.12 41.11 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kuq h ASP 28 N -0.22 0.00 0.21 -1.12 3.58 -1.97 -2.10 116.42 114.79 2kuq h ASP 28 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2kuq h ASP 28 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2kuq h ASP 28 CO 0.06 0.20 -0.12 -0.62 -2.88 0.00 0.00 179.24 175.87 2kuq n GLU 29 N -3.86 0.99 -1.00 0.28 -0.58 -1.26 -4.96 120.64 110.25 2kuq n GLU 29 Ca -0.02 -0.47 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 2kuq n GLU 29 Cb 0.29 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.25 0.40 3.72 0.62 0.00 -0.79 -5.03 105.19 105.36 2kuq n GLY 30 Ca 0.15 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 3.70 -0.24 1.61 1.01 -1.26 -4.83 120.40 118.39 2kuq s VAL 31 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 2kuq s VAL 31 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2kuq s VAL 31 CO 0.00 0.10 1.78 -1.61 0.00 0.00 0.00 175.10 175.38 2kuq s GLU 32 N 0.99 3.56 -0.22 2.72 2.02 -1.26 -3.70 118.70 122.80 2kuq s GLU 32 Ca 0.61 1.69 -0.16 0.00 0.02 0.00 0.00 54.97 57.12 2kuq s GLU 32 Cb -0.33 -4.15 -0.11 0.00 0.10 0.00 0.00 34.13 29.65 2kuq s GLU 32 CO 0.30 -1.58 -0.21 1.28 0.02 0.00 0.00 175.26 175.07 2kuq n LEU 33 N 9.48 1.91 -3.68 1.80 4.77 -0.77 -5.02 117.00 125.48 2kuq n LEU 33 Ca 0.22 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.48 2kuq n LEU 33 Cb 0.45 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 2kuq n LEU 33 CO 0.67 0.19 0.20 -0.83 -1.33 0.00 0.00 177.39 176.28 2kuq s GLY 34 N -5.07 -0.43 0.40 -0.72 0.00 -1.25 -5.02 107.32 95.23 2kuq s GLY 34 Ca -0.31 1.71 -0.11 0.00 0.00 0.00 0.00 44.72 46.01 2kuq s GLY 34 CO 0.46 1.65 0.76 -1.35 0.00 0.00 0.00 173.10 174.63 2kuq s SER 35 N 0.89 6.54 0.26 1.64 1.04 -1.26 -1.46 113.70 121.35 2kuq s SER 35 Ca -0.05 1.14 -0.21 0.00 0.48 0.00 0.00 55.95 57.31 2kuq s SER 35 Cb -0.05 -2.33 0.05 0.00 0.10 0.00 0.00 66.02 63.79 2kuq s SER 35 CO -0.08 -0.38 0.84 -0.83 0.98 0.00 0.00 173.24 173.77 2kuq s GLY 36 N -3.07 -0.01 -0.30 7.32 0.00 0.03 -4.46 107.32 106.82 2kuq s GLY 36 Ca 0.51 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.95 2kuq s GLY 36 CO 0.30 0.16 -0.02 0.14 0.00 0.00 0.00 173.10 173.68 2kuq s VAL 37 N -3.21 2.72 0.18 1.40 1.01 0.11 -1.04 120.40 121.56 2kuq s VAL 37 Ca 0.13 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.27 2kuq s VAL 37 Cb -0.04 -2.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 2kuq s VAL 37 CO 0.06 -0.16 0.83 -0.32 0.00 0.00 0.00 175.10 175.52 2kuq s MET 38 N 1.18 4.66 -0.05 2.72 1.75 0.27 -0.94 119.30 128.89 2kuq s MET 38 Ca -0.04 1.27 -0.01 0.00 -1.25 0.00 0.00 55.69 55.65 2kuq s MET 38 Cb -0.20 -3.28 0.03 0.00 2.84 0.00 0.00 34.83 34.22 2kuq s MET 38 CO -0.03 0.51 0.02 -2.00 -0.65 0.00 0.00 175.02 172.87 2kuq s GLU 39 N -1.01 0.35 -0.43 4.11 2.12 0.31 -0.94 118.70 123.21 2kuq s GLU 39 Ca 0.38 0.16 -0.10 0.00 0.36 0.00 0.00 54.97 55.77 2kuq s GLU 39 Cb -0.24 -0.71 0.08 0.00 0.26 0.00 0.00 34.13 33.52 2kuq s GLU 39 CO 0.28 -0.26 0.29 -0.51 -0.54 0.00 0.00 175.26 174.52 2kuq s LEU 40 N 1.73 5.26 0.61 2.70 1.02 -0.94 -0.42 118.68 128.63 2kuq s LEU 40 Ca 0.00 -1.51 -0.01 0.00 0.02 0.00 0.00 54.13 52.64 2kuq s LEU 40 Cb -0.13 -2.02 0.05 0.00 0.02 0.00 0.00 46.19 44.11 2kuq s LEU 40 CO -0.03 -0.56 0.86 0.42 0.02 0.00 0.00 176.35 177.05 2kuq s THR 41 N 1.45 2.52 -1.56 5.49 -4.23 -0.93 -4.93 115.64 113.45 2kuq s THR 41 Ca 0.03 -0.55 0.18 0.00 -1.18 0.00 0.00 61.69 60.18 2kuq s THR 41 Cb -0.23 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 71.00 2kuq s THR 41 CO 0.03 0.00 1.55 0.00 -0.54 0.00 0.00 174.62 175.66 2kuq n GLN 42 N -2.54 0.33 -0.03 3.99 3.00 -1.26 -3.79 117.38 117.09 2kuq n GLN 42 Ca 0.08 0.09 -0.03 0.00 -0.01 0.00 0.00 57.00 57.13 2kuq n GLN 42 Cb 0.60 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.31 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kuq n SER 43 N -1.22 3.65 -3.59 1.08 7.64 -1.26 -5.08 113.62 114.83 2kuq n SER 43 Ca 0.10 -0.02 -0.06 0.00 1.01 0.00 0.00 58.87 59.90 2kuq n SER 43 Cb 0.13 0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.12 0.83 0.14 1.43 -1.05 -1.25 -4.45 118.70 112.23 2kuq s GLU 44 Ca -0.06 -0.37 -0.30 0.00 -0.15 0.00 0.00 54.97 54.09 2kuq s GLU 44 Cb 0.02 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 2kuq s GLU 44 CO 0.16 -0.37 0.99 -1.17 0.95 0.00 0.00 175.26 175.83 2kuq s LEU 45 N -2.61 4.51 0.05 1.83 0.20 -0.40 -2.19 118.68 120.08 2kuq s LEU 45 Ca 0.08 1.88 0.05 0.00 0.69 0.00 0.00 54.13 56.83 2kuq s LEU 45 Cb -0.01 -3.59 -0.02 0.00 -0.43 0.00 0.00 46.19 42.14 2kuq s LEU 45 CO -0.05 -0.09 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.09 2kuq s VAL 46 N -0.16 1.13 -0.18 1.68 1.01 0.44 -0.89 120.40 123.43 2kuq s VAL 46 Ca 0.47 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2kuq s VAL 46 Cb -0.25 -1.04 0.07 0.00 0.00 0.00 0.00 36.38 35.16 2kuq s VAL 46 CO 0.31 -0.06 0.14 -0.22 0.00 0.00 0.00 175.10 175.27 2kuq s LEU 47 N -1.32 0.17 -0.05 3.92 0.20 0.07 -0.53 118.68 121.13 2kuq s LEU 47 Ca 0.01 -0.45 -0.25 0.00 0.69 0.00 0.00 54.13 54.13 2kuq s LEU 47 Cb -0.08 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.63 2kuq s LEU 47 CO 0.02 -0.34 0.78 -1.00 -0.29 0.00 0.00 176.35 175.52 2kuq s HIS 48 N 2.21 3.59 0.17 5.38 3.76 -0.11 -0.58 115.29 129.70 2kuq s HIS 48 Ca 0.04 1.36 0.07 0.00 -0.15 0.00 0.00 55.06 56.38 2kuq s HIS 48 Cb -0.16 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 2kuq s HIS 48 CO -0.10 0.05 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.18 2kuq s LEU 49 N 0.92 2.50 -0.01 0.89 1.43 -1.26 -0.71 118.68 122.44 2kuq s LEU 49 Ca 0.41 -0.95 0.10 0.00 -1.03 0.00 0.00 54.13 52.67 2kuq s LEU 49 Cb -0.18 -0.61 -0.14 0.00 0.03 0.00 0.00 46.19 45.29 2kuq s LEU 49 CO 0.20 -0.17 0.29 1.57 0.23 0.00 0.00 176.35 178.47 2kuq n HIS 50 N -0.04 0.00 0.01 0.29 -0.00 -1.26 -4.48 115.22 109.74 2kuq n HIS 50 Ca -0.11 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.15 2kuq n HIS 50 Cb 0.59 -0.15 0.17 0.00 -0.12 0.00 0.00 29.99 30.49 2kuq n HIS 50 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2kuq n ARG 51 N -1.63 2.35 -3.45 1.57 3.00 -1.26 -5.01 116.66 112.23 2kuq n ARG 51 Ca -0.01 -2.04 -0.14 0.00 -0.01 0.00 0.00 57.85 55.65 2kuq n ARG 51 Cb 0.22 -1.36 -0.03 0.00 0.00 0.00 0.00 32.46 31.29 2kuq n ARG 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2kuq s ARG 52 N -1.10 1.20 0.88 5.56 3.52 -1.26 -5.03 118.95 122.72 2kuq s ARG 52 Ca 0.29 -0.22 -0.11 0.00 -0.13 0.00 0.00 55.73 55.56 2kuq s ARG 52 Cb 0.16 0.56 0.12 0.00 -1.56 0.00 0.00 34.95 34.23 2kuq s ARG 52 CO 0.22 -0.48 1.15 -1.21 -0.81 0.00 0.00 175.30 174.17 2kuq s GLU 53 N -2.89 1.26 0.24 5.12 2.02 -1.26 -4.28 118.70 118.91 2kuq s GLU 53 Ca -0.03 1.56 -0.30 0.00 0.02 0.00 0.00 54.97 56.22 2kuq s GLU 53 Cb -0.01 -1.75 -0.10 0.00 0.10 0.00 0.00 34.13 32.37 2kuq s GLU 53 CO -0.05 -2.46 1.50 0.00 0.02 0.00 0.00 175.26 174.27 2kuq s ALA 54 N -2.57 3.68 -0.17 5.21 0.00 -1.26 -4.51 121.76 122.15 2kuq s ALA 54 Ca 0.68 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 54.00 2kuq s ALA 54 Cb -0.23 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 2kuq s ALA 54 CO 0.56 -0.81 -0.07 0.08 0.00 0.00 0.00 175.76 175.52 2kuq s VAL 55 N 0.20 3.46 0.06 0.00 1.01 0.25 -4.94 120.40 120.44 2kuq s VAL 55 Ca 0.62 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.15 2kuq s VAL 55 Cb -0.44 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2kuq s VAL 55 CO 0.42 0.48 -0.07 -0.13 0.00 0.00 0.00 175.10 175.80 2kuq s ARG 56 N 0.69 2.38 -0.15 2.72 0.52 -1.26 -0.76 118.95 123.09 2kuq s ARG 56 Ca -0.04 -0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 54.28 2kuq s ARG 56 Cb -0.15 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 32.95 2kuq s ARG 56 CO 0.02 0.55 0.06 -1.58 0.02 0.00 0.00 175.30 174.38 2kuq s TRP 57 N -1.13 0.49 0.30 -0.53 0.51 -0.07 -4.82 118.94 113.69 2kuq s TRP 57 Ca 0.20 -0.40 -0.29 0.00 -2.12 0.00 0.00 56.10 53.49 2kuq s TRP 57 Cb -0.11 -0.78 -0.10 0.00 -0.81 0.00 0.00 33.47 31.66 2kuq s TRP 57 CO 0.12 -0.49 1.27 -1.25 -0.51 0.00 0.00 176.95 176.09 2kuq s PRO 58 N 2.04 4.41 0.50 4.98 0.04 -1.26 -1.27 135.00 144.44 2kuq s PRO 58 Ca 0.02 2.12 0.22 0.00 0.04 0.00 0.00 61.00 63.40 2kuq s PRO 58 Cb -0.15 -3.11 1.32 0.00 0.04 0.00 0.00 34.50 32.60 2kuq s PRO 58 CO -0.08 -0.13 2.08 1.88 0.04 0.00 0.00 177.00 180.79 2kuq h TYR 59 N 3.78 0.00 0.00 0.56 0.05 -1.94 -0.65 116.97 118.76 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 0.57 0.12 0.00 1.37 -1.05 0.00 0.00 178.16 179.17 2kuq h LEU 60 N 0.00 0.00 -1.66 3.88 -0.00 -1.91 -2.78 115.31 112.84 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 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2kuq h LEU 60 CO 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 178.44 178.38 2kuq s LEU 62 N -1.85 3.74 0.18 0.00 1.43 -1.05 -2.33 118.68 118.80 2kuq s LEU 62 Ca 0.23 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2kuq s LEU 62 Cb 0.17 -2.96 0.06 0.00 0.03 0.00 0.00 46.19 43.50 2kuq s LEU 62 CO 0.31 -1.39 1.48 -0.09 0.23 0.00 0.00 176.35 176.88 2kuq h ARG 63 N 9.47 0.62 -2.66 1.70 9.65 -1.86 -3.32 114.38 127.98 2kuq h ARG 63 Ca -0.26 -0.40 0.04 0.00 -1.10 0.00 0.00 59.98 58.27 2kuq h ARG 63 Cb 1.06 0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 29.56 2kuq h ARG 63 CO 1.15 1.01 0.34 -0.98 2.80 0.00 0.00 179.97 184.30 2kuq s ARG 64 N -3.99 1.09 0.07 0.20 1.70 -1.26 -1.81 118.95 114.94 2kuq s ARG 64 Ca -0.08 -0.41 -0.25 0.00 -0.47 0.00 0.00 55.73 54.51 2kuq s ARG 64 Cb 0.11 0.49 0.07 0.00 -0.57 0.00 0.00 34.95 35.05 2kuq s ARG 64 CO 0.85 -0.48 0.60 1.52 -1.08 0.00 0.00 175.30 176.72 2kuq s TYR 65 N -3.46 -0.55 0.23 5.89 1.13 -0.53 -1.62 117.35 118.44 2kuq s TYR 65 Ca 0.03 0.61 -0.22 0.00 -1.41 0.00 0.00 57.07 56.09 2kuq s TYR 65 Cb -0.01 0.46 0.06 0.00 -1.10 0.00 0.00 41.96 41.37 2kuq s TYR 65 CO -0.10 -0.72 0.92 0.20 -2.51 0.00 0.00 175.55 173.33 2kuq s GLY 66 N -2.08 0.01 0.04 5.49 0.00 0.10 -0.95 107.32 109.92 2kuq s GLY 66 Ca -0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 2kuq s GLY 66 CO -0.03 0.64 0.41 -2.52 0.00 0.00 0.00 173.10 171.61 2kuq s TYR 67 N -2.85 -0.27 0.14 1.90 1.13 -1.25 -1.45 117.35 114.70 2kuq s TYR 67 Ca 0.16 0.26 0.01 0.00 -1.41 0.00 0.00 57.07 56.08 2kuq s TYR 67 Cb -0.03 0.22 -0.00 0.00 -1.10 0.00 0.00 41.96 41.04 2kuq s TYR 67 CO 0.06 -0.56 0.02 -3.47 -2.51 0.00 0.00 175.55 169.09 2kuq n ASP 68 N 0.57 1.73 0.30 -0.18 -0.08 0.43 -3.73 116.55 115.59 2kuq n ASP 68 Ca -0.19 -1.68 0.20 0.00 -1.51 0.00 0.00 54.79 51.61 2kuq n ASP 68 Cb 0.59 0.22 0.93 0.00 2.34 0.00 0.00 41.12 45.20 2kuq n ASP 68 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2kuq h SER 69 N 0.44 0.00 0.00 1.67 0.02 -1.98 -3.22 113.55 110.48 2kuq h SER 69 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2kuq h SER 69 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2kuq h SER 69 CO 0.19 0.00 -0.19 0.59 -1.14 0.00 0.00 176.83 176.28 2kuq n ASN 70 N -3.07 0.00 -3.80 3.07 3.02 -1.26 -4.81 115.26 108.40 2kuq n ASN 70 Ca -0.01 -1.38 -0.13 0.00 -0.03 0.00 0.00 54.58 53.03 2kuq n ASN 70 Cb 0.20 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2kuq s LEU 71 N 0.00 1.28 -0.10 3.41 2.96 -1.22 -1.20 118.68 123.81 2kuq s LEU 71 Ca 0.00 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2kuq s LEU 71 Cb 0.00 0.27 -0.00 0.00 0.50 0.00 0.00 46.19 46.96 2kuq s LEU 71 CO 0.00 -0.08 -0.24 0.12 -1.32 0.00 0.00 176.35 174.83 2kuq s PHE 72 N 0.55 2.55 0.02 5.38 5.36 -0.17 -0.43 117.98 131.24 2kuq s PHE 72 Ca -0.04 -1.01 -0.08 0.00 -0.96 0.00 0.00 56.93 54.84 2kuq s PHE 72 Cb -0.06 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.92 2kuq s PHE 72 CO -0.02 -0.39 0.16 0.45 -1.46 0.00 0.00 175.22 173.96 2kuq s SER 73 N 0.28 0.03 0.17 6.13 0.15 -0.53 -1.16 113.70 118.77 2kuq s SER 73 Ca -0.17 -0.26 -0.21 0.00 0.70 0.00 0.00 55.95 56.00 2kuq s SER 73 Cb -0.17 0.24 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 2kuq s SER 73 CO 0.08 -0.45 0.57 0.72 1.20 0.00 0.00 173.24 175.37 2kuq s PHE 74 N -1.85 -0.41 -0.04 3.44 -0.12 -0.84 -0.72 117.98 117.43 2kuq s PHE 74 Ca -0.11 0.15 -0.03 0.00 -0.05 0.00 0.00 56.93 56.89 2kuq s PHE 74 Cb -0.05 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2kuq s PHE 74 CO -0.00 -0.87 0.11 -1.21 -0.05 0.00 0.00 175.22 173.20 2kuq s GLU 75 N -3.79 3.24 0.17 1.99 8.01 -0.64 -1.71 118.70 125.98 2kuq s GLU 75 Ca 0.03 -0.35 0.10 0.00 0.01 0.00 0.00 54.97 54.76 2kuq s GLU 75 Cb -0.01 -2.99 -0.04 0.00 -4.31 0.00 0.00 34.13 26.78 2kuq s GLU 75 CO -0.10 0.69 -0.21 0.45 0.01 0.00 0.00 175.26 176.10 2kuq s SER 76 N -1.50 3.01 0.81 -0.19 0.15 -1.17 -3.59 113.70 111.22 2kuq s SER 76 Ca 0.21 -0.85 -0.11 0.00 0.70 0.00 0.00 55.95 55.90 2kuq s SER 76 Cb -0.12 -0.20 0.08 0.00 -1.71 0.00 0.00 66.02 64.07 2kuq s SER 76 CO 0.11 0.04 1.11 -0.83 1.20 0.00 0.00 173.24 174.88 2kuq s GLY 77 N -2.60 1.72 0.00 9.45 0.00 -0.98 -3.79 107.32 111.11 2kuq s GLY 77 Ca 0.17 0.39 0.15 0.00 0.00 0.00 0.00 44.72 45.44 2kuq s GLY 77 CO 0.08 0.76 1.40 -0.96 0.00 0.00 0.00 173.10 174.38 2kuq n ARG 78 N -3.68 0.32 -3.61 2.90 1.85 -1.26 -3.60 116.66 109.58 2kuq n ARG 78 Ca 0.10 0.09 -0.27 0.00 -1.00 0.00 0.00 57.85 56.77 2kuq n ARG 78 Cb 0.53 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.33 2kuq n ARG 78 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2kuq n ARG 79 N -1.18 1.50 -3.87 2.89 1.85 -1.26 -4.42 116.66 112.16 2kuq n ARG 79 Ca 0.09 -4.10 -0.10 0.00 -1.00 0.00 0.00 57.85 52.73 2kuq n ARG 79 Cb 0.10 -2.03 0.01 0.00 -1.05 0.00 0.00 32.46 29.49 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kuq h GLN 81 N 2.02 0.00 -0.01 0.00 4.20 -1.93 -3.00 115.11 116.39 2kuq h GLN 81 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2kuq h GLN 81 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2kuq h GLN 81 CO 0.41 0.07 -0.30 0.25 -0.67 0.00 0.00 178.83 178.59 2kuq n THR 82 N -3.43 0.00 -3.66 -0.54 -2.24 -1.26 -5.13 114.28 98.02 2kuq n THR 82 Ca -0.02 -0.35 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 2kuq n THR 82 Cb 0.21 1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.02 -1.74 3.73 3.38 0.00 -1.13 -4.79 105.19 105.65 2kuq n GLY 83 Ca 0.04 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.28 4.40 0.00 1.61 2.00 -1.24 -4.61 119.66 121.55 2kuq s GLN 84 Ca 0.00 1.95 0.00 0.00 -2.00 0.00 0.00 55.36 55.31 2kuq s GLN 84 Cb 0.00 -3.26 0.00 0.00 0.80 0.00 0.00 33.01 30.55 2kuq s GLN 84 CO 0.00 -0.27 0.00 0.41 -0.50 0.00 0.00 175.29 174.93 2kuq n GLY 85 N 2.86 0.03 3.27 2.59 0.00 -1.25 -5.01 105.19 107.69 2kuq n GLY 85 Ca 0.08 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 3.16 -0.09 -0.61 1.01 -1.25 -3.06 121.20 118.36 2kuq s ILE 86 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2kuq s ILE 86 Cb 0.00 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2kuq s ILE 86 CO 0.00 0.39 -0.00 -0.36 0.00 0.00 0.00 174.94 174.97 2kuq s PHE 87 N 1.43 3.15 -0.04 3.97 0.08 -0.69 -0.97 117.98 124.91 2kuq s PHE 87 Ca 0.05 0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 2kuq s PHE 87 Cb -0.14 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2kuq s PHE 87 CO -0.05 0.46 0.08 0.00 -0.10 0.00 0.00 175.22 175.61 2kuq s ALA 88 N -0.86 -0.10 -0.04 5.36 0.00 -1.26 -1.99 121.76 122.87 2kuq s ALA 88 Ca 0.13 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2kuq s ALA 88 Cb -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2kuq s ALA 88 CO 0.02 -0.10 -0.08 -0.06 0.00 0.00 0.00 175.76 175.54 2kuq s PHE 89 N 0.83 0.91 0.14 0.00 0.40 -0.31 -1.14 117.98 118.81 2kuq s PHE 89 Ca -0.07 -0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 55.71 2kuq s PHE 89 Cb -0.09 -0.70 -0.07 0.00 0.51 0.00 0.00 43.02 42.67 2kuq s PHE 89 CO -0.03 -0.15 1.11 0.15 0.70 0.00 0.00 175.22 177.00 2kuq s LYS 90 N 0.49 4.56 -0.29 0.44 1.02 0.06 -1.00 119.74 125.02 2kuq s LYS 90 Ca -0.07 1.71 -0.16 0.00 0.02 0.00 0.00 55.97 57.47 2kuq s LYS 90 Cb -0.11 -3.30 0.14 0.00 -0.52 0.00 0.00 37.83 34.03 2kuq s LYS 90 CO 0.01 -0.00 0.93 0.00 -0.92 0.00 0.00 175.35 175.36 2kuq h SER 92 N 6.33 0.00 -0.51 0.00 0.87 -1.88 -2.79 113.55 115.57 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 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kuq h SER 92 CO 0.18 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.02 2kuq n ARG 93 N -2.30 3.93 -0.22 2.24 1.74 -1.26 -4.68 116.66 116.11 2kuq n ARG 93 Ca 0.01 -2.93 0.23 0.00 -0.77 0.00 0.00 57.85 54.39 2kuq n ARG 93 Cb 0.18 -1.98 0.60 0.00 -1.02 0.00 0.00 32.46 30.24 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 3.35 2.48 -0.64 7.54 0.00 -1.80 -0.28 119.26 129.91 2kuq h ALA 94 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kuq h ALA 94 Cb 1.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2kuq h ALA 94 CO 0.31 -0.76 0.09 1.49 0.00 0.00 0.00 179.25 180.38 2kuq h GLU 95 N 0.23 1.06 -0.08 0.00 4.81 -1.83 -1.19 114.58 117.58 2kuq h GLU 95 Ca 0.46 -0.29 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 2kuq h GLU 95 Cb 1.43 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2kuq h GLU 95 CO -0.11 0.99 -0.71 0.93 -0.73 0.00 0.00 179.01 179.38 2kuq h GLU 96 N 0.98 0.38 -0.05 1.92 4.39 -1.45 -0.40 114.58 120.34 2kuq h GLU 96 Ca 0.19 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2kuq h GLU 96 Cb 0.45 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kuq h GLU 96 CO 0.01 0.94 0.03 0.82 -1.16 0.00 0.00 179.01 179.65 2kuq h ILE 97 N 0.26 1.10 -0.57 3.13 2.04 -1.30 -1.03 117.51 121.13 2kuq h ILE 97 Ca -0.03 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2kuq h ILE 97 Cb 1.27 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2kuq h ILE 97 CO 0.12 0.08 0.31 0.15 0.00 0.00 0.00 178.15 178.81 2kuq h PHE 98 N -0.03 0.79 -0.09 1.37 3.57 -1.13 0.09 116.94 121.51 2kuq h PHE 98 Ca 0.02 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kuq h PHE 98 Cb 0.11 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 2kuq h PHE 98 CO -0.04 0.58 0.05 -0.91 -2.23 0.00 0.00 178.31 175.76 2kuq h ASN 99 N 0.77 0.12 -0.67 0.41 2.35 -1.03 -2.18 115.58 115.36 2kuq h ASN 99 Ca 0.20 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2kuq h ASN 99 Cb 0.05 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2kuq h ASN 99 CO -0.03 0.17 0.26 0.25 -1.65 0.00 0.00 177.43 176.43 2kuq h LEU 100 N 0.06 0.95 -0.04 1.61 5.85 -1.02 -1.48 115.31 121.23 2kuq h LEU 100 Ca 0.03 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2kuq h LEU 100 Cb 0.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2kuq h LEU 100 CO -0.01 0.85 -0.03 0.25 -0.34 0.00 0.00 178.44 179.17 2kuq h LEU 101 N 1.00 -0.09 -0.98 2.25 5.85 -0.82 -0.82 115.31 121.71 2kuq h LEU 101 Ca 0.23 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 2kuq h LEU 101 Cb 0.21 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2kuq h LEU 101 CO -0.02 -0.04 -0.39 0.06 -0.34 0.00 0.00 178.44 177.72 2kuq h GLN 102 N -0.03 0.24 -0.52 1.25 3.07 -1.24 -2.35 115.11 115.54 2kuq h GLN 102 Ca 0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 58.65 58.59 2kuq h GLN 102 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.60 2kuq h GLN 102 CO -0.06 0.60 0.07 -0.44 0.09 0.00 0.00 178.83 179.08 2kuq h ASP 103 N 0.21 0.83 1.27 0.06 3.32 -1.01 -2.20 116.42 118.89 2kuq h ASP 103 Ca 0.02 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2kuq h ASP 103 Cb 0.78 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 2kuq h ASP 103 CO 0.06 0.89 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.29 2kuq h LEU 104 N 0.74 0.00 -0.27 1.55 3.38 -1.06 -0.83 115.31 118.82 2kuq h LEU 104 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 2kuq h LEU 104 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2kuq h LEU 104 CO 0.01 0.11 -0.88 0.24 0.09 0.00 0.00 178.44 178.02 2kuq h MET 105 N 0.00 0.07 0.00 1.13 2.86 -1.21 -3.38 114.93 114.40 2kuq h MET 105 Ca -0.00 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 2kuq h MET 105 Cb 0.77 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 2kuq h MET 105 CO 0.01 0.90 -2.00 0.00 1.06 0.00 0.00 176.91 176.88 2kuq n GLN 106 N -3.57 0.66 -3.00 1.72 10.64 -0.85 -4.93 117.38 118.06 2kuq n GLN 106 Ca -0.02 -0.08 -0.41 0.00 -1.83 0.00 0.00 57.00 54.67 2kuq n GLN 106 Cb 0.82 -1.57 -0.05 0.00 -0.86 0.00 0.00 30.24 28.58 2kuq n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kuq h ASN 108 N 7.59 0.00 -3.27 0.00 -0.73 -1.90 -3.46 115.58 113.81 2kuq h ASN 108 Ca -0.28 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.60 2kuq h ASN 108 Cb 1.12 0.00 -0.35 0.00 0.27 0.00 0.00 38.32 39.36 2kuq h ASN 108 CO 0.82 0.53 -0.65 -0.44 -0.37 0.00 0.00 177.43 177.32 2kuq s SER 109 N -6.05 0.49 -0.12 1.15 0.01 -1.26 -5.15 113.70 102.77 2kuq s SER 109 Ca -0.00 0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.53 2kuq s SER 109 Cb 0.08 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.47 2kuq s SER 109 CO 0.79 -0.21 -0.17 -0.63 0.41 0.00 0.00 173.24 173.43 2kuq s ILE 110 N 1.81 1.67 0.45 1.44 1.09 -1.26 -5.14 121.20 121.26 2kuq s ILE 110 Ca -0.02 -0.74 -0.21 0.00 -1.10 0.00 0.00 60.65 58.59 2kuq s ILE 110 Cb -0.12 -1.51 -0.10 0.00 -1.06 0.00 0.00 42.46 39.67 2kuq s ILE 110 CO -0.05 0.47 1.00 0.20 -0.10 0.00 0.00 174.94 176.46 2kuq s ASN 111 N 1.02 6.69 0.07 3.58 0.01 -1.26 -4.99 114.94 120.06 2kuq s ASN 111 Ca -0.05 1.83 -0.31 0.00 -0.71 0.00 0.00 52.86 53.61 2kuq s ASN 111 Cb -0.15 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 38.85 2kuq s ASN 111 CO -0.03 -0.54 1.87 0.52 -1.51 0.00 0.00 177.10 177.42 2kuq n VAL 112 N -0.67 0.50 -1.62 1.60 0.31 -1.26 -4.98 118.33 112.21 2kuq n VAL 112 Ca 0.08 -0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 64.02 2kuq n VAL 112 Cb 0.53 -2.12 0.08 0.00 -0.91 0.00 0.00 33.84 31.41 2kuq n VAL 112 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2kuq s MET 113 N 3.33 2.30 0.63 5.55 -1.94 -1.26 -5.05 119.30 122.86 2kuq s MET 113 Ca 0.85 0.62 -0.18 0.00 -1.71 0.00 0.00 55.69 55.28 2kuq s MET 113 Cb -0.50 -1.94 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 2kuq s MET 113 CO 0.41 -1.47 1.23 -1.21 -0.01 0.00 0.00 175.02 173.97 2kuq s GLU 114 N -5.19 2.71 0.69 2.03 2.02 -1.26 -5.01 118.70 114.68 2kuq s GLU 114 Ca 0.60 1.89 -0.16 0.00 0.02 0.00 0.00 54.97 57.32 2kuq s GLU 114 Cb -0.14 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.22 2kuq s GLU 114 CO 0.54 -1.43 1.20 -1.83 0.02 0.00 0.00 175.26 173.76 2kuq s GLU 115 N -3.45 2.40 0.85 1.61 -1.05 -1.26 -5.02 118.70 112.79 2kuq s GLU 115 Ca 0.78 1.74 -0.11 0.00 -0.15 0.00 0.00 54.97 57.23 2kuq s GLU 115 Cb -0.32 -1.87 0.10 0.00 -0.44 0.00 0.00 34.13 31.60 2kuq s GLU 115 CO 0.37 -1.63 1.09 -1.25 0.95 0.00 0.00 175.26 174.80 2kuq s PRO 116 N -3.79 1.62 -0.06 -4.83 0.04 -1.26 -5.04 135.00 121.68 2kuq s PRO 116 Ca 0.74 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 2kuq s PRO 116 Cb -0.29 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2kuq s PRO 116 CO 0.42 -1.99 0.46 0.08 0.04 0.00 0.00 177.00 176.01 2kuq s VAL 117 N -2.98 5.08 -0.31 -0.36 1.01 -1.26 -4.99 120.40 116.59 2kuq s VAL 117 Ca 0.62 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 2kuq s VAL 117 Cb -0.17 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2kuq s VAL 117 CO 0.56 0.44 0.19 -0.63 0.00 0.00 0.00 175.10 175.66 2kuq s ILE 118 N -0.17 4.97 -0.11 2.22 1.09 -1.26 -4.55 121.20 123.39 2kuq s ILE 118 Ca 0.25 -0.22 0.15 0.00 -1.10 0.00 0.00 60.65 59.73 2kuq s ILE 118 Cb -0.16 -3.50 0.25 0.00 -1.06 0.00 0.00 42.46 37.99 2kuq s ILE 118 CO 0.12 0.09 1.13 -0.38 -0.10 0.00 0.00 174.94 175.80 2kuq n ILE 119 N 5.04 1.52 -2.38 2.92 2.08 -1.26 -4.97 119.36 122.31 2kuq n ILE 119 Ca -0.14 -1.90 -0.20 0.00 0.56 0.00 0.00 62.75 61.07 2kuq n ILE 119 Cb 0.50 -0.07 -0.01 0.00 -0.75 0.00 0.00 39.64 39.31 2kuq n ILE 119 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2kuq n THR 120 N -1.10 -0.94 -1.71 1.39 -2.24 -1.26 -4.95 114.28 103.47 2kuq n THR 120 Ca 0.13 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.53 2kuq n THR 120 Cb 0.67 -2.86 0.05 0.00 -2.10 0.00 0.00 70.33 66.09 2kuq n THR 120 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kuq n SER 121 N -1.80 2.12 -3.48 3.42 7.64 -1.26 -5.05 113.62 115.22 2kuq n SER 121 Ca -0.24 0.90 -0.03 0.00 1.01 0.00 0.00 58.87 60.51 2kuq n SER 121 Cb 0.68 -1.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.35 2kuq n SER 121 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kuq s GLY 122 N -1.13 -0.00 0.07 0.23 0.00 -1.26 -4.65 107.32 100.58 2kuq s GLY 122 Ca 0.76 -0.16 -0.14 0.00 0.00 0.00 0.00 44.72 45.17 2kuq s GLY 122 CO 0.46 1.65 0.33 -0.56 0.00 0.00 0.00 173.10 174.98 2kuq s SER 123 N -3.26 -0.14 0.02 1.64 0.01 -1.26 -5.16 113.70 105.55 2kuq s SER 123 Ca 0.19 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.20 2kuq s SER 123 Cb -0.02 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 2kuq s SER 123 CO 0.04 -0.70 -0.05 -0.44 0.41 0.00 0.00 173.24 172.50 2kuq s SER 124 N -2.36 0.55 0.69 2.44 0.01 -1.26 -5.17 113.70 108.59 2kuq s SER 124 Ca -0.01 -0.39 -0.10 0.00 1.31 0.00 0.00 55.95 56.76 2kuq s SER 124 Cb 0.01 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.29 2kuq s SER 124 CO -0.07 -0.16 1.05 -0.83 0.41 0.00 0.00 173.24 173.65 2kuq s GLY 125 N -1.09 1.62 0.00 3.44 0.00 -1.26 -4.99 107.32 105.04 2kuq s GLY 125 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2kuq s GLY 125 CO -0.00 -0.13 0.00 -1.26 0.00 0.00 0.00 173.10 171.71 2kuq n SER 126 N -2.93 0.00 -4.61 1.64 2.88 -1.26 -5.11 113.62 104.24 2kuq n SER 126 Ca 0.06 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.21 2kuq n SER 126 Cb 0.58 0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 2kuq n SER 126 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kuq s SER 127 N -1.18 6.31 0.00 -3.46 0.15 -1.26 -5.07 113.70 109.20 2kuq s SER 127 Ca 0.00 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2kuq s SER 127 Cb 0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2kuq s SER 127 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2kuq n GLY 128 N 4.59 1.62 3.91 9.45 0.00 -1.26 -5.12 105.19 118.38 2kuq n GLY 128 Ca -0.07 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.00 4.54 0.00 1.61 0.15 -1.26 -5.00 113.70 112.73 2kuq s SER 129 Ca 0.00 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2kuq s SER 129 Cb 0.00 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2kuq s SER 129 CO 0.00 -1.85 0.00 -1.54 1.20 0.00 0.00 173.24 171.05 2kuq n SER 130 N -3.22 0.00 0.00 5.45 3.41 -1.26 -5.10 113.62 112.89 2kuq n SER 130 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2kuq n SER 130 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.24 0.98 3.57 5.00 0.00 -1.26 -5.20 105.19 108.03 2kuq n GLY 131 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 2kuq n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 132 N 0.00 -0.33 0.00 1.61 1.04 -1.26 -5.09 113.70 109.67 2kuq s SER 132 Ca 0.00 -0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.38 2kuq s SER 132 Cb 0.00 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.59 2kuq s SER 132 CO 0.00 -0.73 0.67 -1.20 0.98 0.00 0.00 173.24 172.97 2kuq n SER 133 N -0.32 1.46 0.00 7.02 7.64 -1.26 -5.12 113.62 123.04 2kuq n SER 133 Ca -0.09 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.57 2kuq n SER 133 Cb 0.62 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.37 0.32 3.75 0.23 0.00 -1.26 -5.06 105.19 103.54 2kuq n GLY 134 Ca 0.03 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 4.35 -0.17 0.99 1.43 -1.26 -4.90 118.68 119.12 2kuq s LEU 135 Ca 0.00 2.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.91 2kuq s LEU 135 Cb 0.00 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 2kuq s LEU 135 CO 0.00 -0.90 0.20 0.12 0.23 0.00 0.00 176.35 176.00 2kuq s PHE 136 N 0.05 3.46 -0.30 0.29 2.19 -1.26 -5.09 117.98 117.32 2kuq s PHE 136 Ca 0.63 0.47 -0.12 0.00 0.33 0.00 0.00 56.93 58.25 2kuq s PHE 136 Cb -0.47 -2.22 -0.04 0.00 -1.31 0.00 0.00 43.02 38.98 2kuq s PHE 136 CO 0.47 0.32 0.23 1.03 1.83 0.00 0.00 175.22 179.09 2kuq s ARG 137 N 0.24 3.81 0.42 10.12 0.52 -1.26 -4.43 118.95 128.37 2kuq s ARG 137 Ca 0.12 -0.39 -0.20 0.00 -0.52 0.00 0.00 55.73 54.75 2kuq s ARG 137 Cb -0.12 -3.71 -0.11 0.00 0.52 0.00 0.00 34.95 31.54 2kuq s ARG 137 CO 0.01 -0.28 0.93 -0.51 0.02 0.00 0.00 175.30 175.47 2kuq s LEU 138 N 1.78 3.93 0.14 2.53 1.43 -0.14 -4.89 118.68 123.46 2kuq s LEU 138 Ca 0.08 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.85 2kuq s LEU 138 Cb -0.16 -4.48 -0.13 0.00 0.03 0.00 0.00 46.19 41.45 2kuq s LEU 138 CO 0.11 -0.36 1.31 0.03 0.23 0.00 0.00 176.35 177.67 2kuq h ARG 139 N 1.88 0.09 -4.58 1.70 3.08 -1.99 -3.32 114.38 111.24 2kuq h ARG 139 Ca -0.49 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 59.19 2kuq h ARG 139 Cb 1.18 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 31.09 2kuq h ARG 139 CO 0.62 0.99 -0.72 -1.01 -1.07 0.00 0.00 179.97 178.78 2kuq s HIS 140 N -2.89 0.75 -0.04 3.04 3.76 -1.26 -5.03 115.29 113.62 2kuq s HIS 140 Ca -0.01 -0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 53.91 2kuq s HIS 140 Cb 0.10 -0.44 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 2kuq s HIS 140 CO 0.83 -0.12 1.08 0.12 -0.85 0.00 0.00 174.74 175.79 2kuq s PHE 141 N -2.40 3.46 -0.49 1.40 5.36 -1.26 -4.96 117.98 119.09 2kuq s PHE 141 Ca -0.01 1.48 0.24 0.00 -0.96 0.00 0.00 56.93 57.68 2kuq s PHE 141 Cb -0.03 -3.27 0.28 0.00 -0.34 0.00 0.00 43.02 39.66 2kuq s PHE 141 CO -0.02 -0.61 1.32 -1.00 -1.46 0.00 0.00 175.22 173.45 2kuq h PRO 142 N 7.07 0.00 -5.93 10.12 0.13 -1.98 -3.47 132.00 137.95 2kuq h PRO 142 Ca -0.36 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.15 2kuq h PRO 142 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2kuq h PRO 142 CO 0.83 0.00 -0.51 0.00 -0.23 0.00 0.00 178.00 178.09 2kuq h GLY 144 N 3.24 0.16 -6.11 0.00 0.00 -1.91 -3.43 103.07 95.01 2kuq h GLY 144 Ca -0.46 -0.41 -0.73 0.00 0.00 0.00 0.00 47.33 45.73 2kuq h GLY 144 CO 0.73 0.36 2.59 0.70 0.00 0.00 0.00 176.54 180.92 2kuq n ASN 145 N -3.31 5.13 -4.70 0.19 3.02 -1.24 -4.97 115.26 109.38 2kuq n ASN 145 Ca -0.17 -2.98 -0.42 0.00 -0.03 0.00 0.00 54.58 50.98 2kuq n ASN 145 Cb 1.04 -1.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 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 1.39 4.05 0.11 2.41 1.01 -1.26 -3.85 120.40 124.25 2kuq s VAL 146 Ca 0.45 1.44 0.09 0.00 0.00 0.00 0.00 61.98 63.97 2kuq s VAL 146 Cb 0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2kuq s VAL 146 CO -0.04 0.07 -0.23 0.20 0.00 0.00 0.00 175.10 175.09 2kuq s ASN 147 N 1.28 2.81 -0.10 3.32 -0.87 -0.13 -5.01 114.94 116.25 2kuq s ASN 147 Ca 0.59 -0.69 -0.06 0.00 -1.57 0.00 0.00 52.86 51.13 2kuq s ASN 147 Cb -0.28 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 40.73 2kuq s ASN 147 CO 0.27 0.11 0.13 -0.31 -2.57 0.00 0.00 177.10 174.73 2kuq s TYR 148 N -1.09 3.54 0.00 2.20 2.02 -1.26 -1.45 117.35 121.30 2kuq s TYR 148 Ca 0.09 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 2kuq s TYR 148 Cb -0.10 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2kuq s TYR 148 CO 0.05 0.69 0.00 0.41 -1.57 0.00 0.00 175.55 175.13 2kuq n GLY 149 N 1.82 1.05 3.77 0.71 0.00 -0.75 -4.95 105.19 106.84 2kuq n GLY 149 Ca -0.18 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 2kuq n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kuq s TYR 150 N 1.54 2.92 0.12 1.61 1.51 -1.25 -4.99 117.35 118.80 2kuq s TYR 150 Ca 0.00 1.44 -0.30 0.00 -1.01 0.00 0.00 57.07 57.19 2kuq s TYR 150 Cb 0.00 -3.63 -0.07 0.00 -0.11 0.00 0.00 41.96 38.16 2kuq s TYR 150 CO 0.00 -1.90 1.17 -0.65 -1.11 0.00 0.00 175.55 173.06 2kuq s GLN 151 N -2.13 4.48 -0.17 -0.62 1.11 -1.26 -4.88 119.66 116.20 2kuq s GLN 151 Ca 0.55 1.78 -0.13 0.00 0.01 0.00 0.00 55.36 57.57 2kuq s GLN 151 Cb -0.37 -3.31 0.05 0.00 -1.01 0.00 0.00 33.01 28.37 2kuq s GLN 151 CO 0.48 -0.14 0.44 -1.14 0.01 0.00 0.00 175.29 174.95 2kuq s GLN 152 N 0.41 0.48 0.00 2.91 2.00 -1.26 -5.18 119.66 119.02 2kuq s GLN 152 Ca 0.55 0.72 0.00 0.00 -2.00 0.00 0.00 55.36 54.63 2kuq s GLN 152 Cb -0.30 0.14 0.00 0.00 0.80 0.00 0.00 33.01 33.65 2kuq s GLN 152 CO 0.32 -0.10 0.41 1.04 -0.50 0.00 0.00 175.29 176.46