#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 1.58 0.20 1.61 3.41 -1.26 -4.67 113.62 114.49 2kuq n SER 2 Ca 0.00 -1.33 0.11 0.00 -0.26 0.00 0.00 58.87 57.39 2kuq n SER 2 Cb 0.00 -0.02 0.14 0.00 -0.26 0.00 0.00 64.21 64.07 2kuq n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2kuq h SER 3 N 0.99 0.00 -0.72 4.04 0.87 -2.13 -3.50 113.55 113.10 2kuq h SER 3 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kuq h SER 3 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2kuq h SER 3 CO 0.00 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 176.97 2kuq n GLY 4 N 1.12 -1.10 3.60 5.77 0.00 -1.26 -5.01 105.19 108.32 2kuq n GLY 4 Ca 0.03 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.65 0.01 1.61 1.04 -1.26 -5.17 113.70 105.28 2kuq s SER 5 Ca 0.00 1.11 -0.29 0.00 0.48 0.00 0.00 55.95 57.25 2kuq s SER 5 Cb 0.00 1.08 0.10 0.00 0.10 0.00 0.00 66.02 67.30 2kuq s SER 5 CO 0.00 -0.32 1.11 -0.94 0.98 0.00 0.00 173.24 174.07 2kuq s SER 6 N -0.10 -0.15 -0.46 7.02 1.04 -1.26 -5.15 113.70 114.64 2kuq s SER 6 Ca -0.02 -0.18 0.07 0.00 0.48 0.00 0.00 55.95 56.30 2kuq s SER 6 Cb -0.04 0.30 0.19 0.00 0.10 0.00 0.00 66.02 66.57 2kuq s SER 6 CO 0.02 -0.53 0.70 -0.83 0.98 0.00 0.00 173.24 173.58 2kuq s GLY 7 N -2.76 -1.29 -0.79 7.32 0.00 -1.26 -5.10 107.32 103.43 2kuq s GLY 7 Ca 0.11 -0.04 -0.18 0.00 0.00 0.00 0.00 44.72 44.61 2kuq s GLY 7 CO -0.03 3.70 0.92 1.08 0.00 0.00 0.00 173.10 178.78 2kuq s LEU 8 N 1.36 5.40 -0.01 0.66 2.01 -1.26 -4.94 118.68 121.90 2kuq s LEU 8 Ca 0.23 -1.88 -0.28 0.00 0.01 0.00 0.00 54.13 52.20 2kuq s LEU 8 Cb -0.01 -2.34 0.10 0.00 0.01 0.00 0.00 46.19 43.95 2kuq s LEU 8 CO -0.06 -1.03 0.84 0.21 1.01 0.00 0.00 176.35 177.32 2kuq s ASN 9 N 3.36 -0.42 0.39 2.29 3.84 -1.26 -5.05 114.94 118.09 2kuq s ASN 9 Ca 0.23 0.13 0.28 0.00 0.21 0.00 0.00 52.86 53.70 2kuq s ASN 9 Cb -0.13 0.42 1.38 0.00 -0.55 0.00 0.00 41.25 42.37 2kuq s ASN 9 CO -0.03 -0.63 1.84 0.03 -2.79 0.00 0.00 177.10 175.53 2kuq h ARG 10 N 2.18 0.00 -5.69 0.43 2.47 -2.01 -3.42 114.38 108.34 2kuq h ARG 10 Ca -0.24 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.01 2kuq h ARG 10 Cb 1.23 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.36 2kuq h ARG 10 CO 0.33 0.00 -0.78 0.34 0.56 0.00 0.00 179.97 180.42 2kuq s ASP 11 N -4.47 2.30 0.39 7.04 -1.08 -1.26 -5.05 116.67 114.54 2kuq s ASP 11 Ca -0.01 -0.81 0.28 0.00 -0.52 0.00 0.00 52.55 51.49 2kuq s ASP 11 Cb 0.09 -0.11 1.36 0.00 -1.46 0.00 0.00 42.92 42.80 2kuq s ASP 11 CO 0.32 -0.08 1.84 -1.28 0.52 0.00 0.00 175.17 176.49 2kuq h SER 12 N 3.50 0.00 -2.36 -0.34 0.87 -1.92 -3.41 113.55 109.89 2kuq h SER 12 Ca -0.41 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.11 2kuq h SER 12 Cb 1.20 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.91 2kuq h SER 12 CO 0.49 0.00 -0.28 0.54 -0.53 0.00 0.00 176.83 177.05 2kuq s VAL 13 N -3.60 -0.75 0.28 2.23 0.11 -1.26 -4.99 120.40 112.41 2kuq s VAL 13 Ca -0.01 0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.86 2kuq s VAL 13 Cb 0.09 -0.78 -0.10 0.00 -1.53 0.00 0.00 36.38 34.06 2kuq s VAL 13 CO 0.33 0.05 1.32 -2.16 -3.33 0.00 0.00 175.10 171.31 2kuq s PRO 14 N 2.68 4.36 0.00 1.54 0.04 -1.26 -4.92 135.00 137.44 2kuq s PRO 14 Ca -0.03 2.17 0.21 0.00 0.04 0.00 0.00 61.00 63.39 2kuq s PRO 14 Cb -0.12 -3.12 1.28 0.00 0.04 0.00 0.00 34.50 32.58 2kuq s PRO 14 CO -0.15 -0.23 1.66 -0.25 0.04 0.00 0.00 177.00 178.07 2kuq n ASP 15 N 1.62 0.00 -0.61 6.66 8.00 -1.26 -2.52 116.55 128.44 2kuq n ASP 15 Ca 0.03 -0.71 0.07 0.00 0.71 0.00 0.00 54.79 54.88 2kuq n ASP 15 Cb 0.42 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.62 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kuq n ASN 16 N -0.99 2.46 -4.57 -2.24 0.23 -1.26 -3.40 115.26 105.49 2kuq n ASN 16 Ca 0.16 -1.71 -0.51 0.00 -0.53 0.00 0.00 54.58 51.99 2kuq n ASN 16 Cb 0.07 -0.10 -0.05 0.00 -2.08 0.00 0.00 39.78 37.62 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2kuq n HIS 17 N 0.72 1.30 0.31 -2.53 -0.00 -1.05 -4.90 115.22 109.06 2kuq n HIS 17 Ca 0.10 0.69 0.16 0.00 0.46 0.00 0.00 57.72 59.13 2kuq n HIS 17 Cb 0.37 -2.28 0.72 0.00 -0.12 0.00 0.00 29.99 28.69 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 3.72 0.00 0.00 1.57 0.13 -1.98 -3.39 132.00 132.05 2kuq h PRO 18 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kuq h PRO 18 Cb 1.35 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 0.00 -2.37 -0.23 0.00 0.00 178.00 176.12 2kuq n THR 19 N -2.72 0.00 -2.82 1.56 5.66 -1.26 -4.95 114.28 109.74 2kuq n THR 19 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 2kuq n THR 19 Cb 0.20 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.96 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 -0.40 3.64 -0.30 1.09 3.01 -1.26 -4.20 119.74 121.32 2kuq s LYS 20 Ca 0.00 -1.65 -0.24 0.00 -1.01 0.00 0.00 55.97 53.07 2kuq s LYS 20 Cb 0.00 -5.06 0.00 0.00 -1.01 0.00 0.00 37.83 31.76 2kuq s LYS 20 CO 0.00 -1.90 0.82 -0.06 0.51 0.00 0.00 175.35 174.72 2kuq s PHE 21 N 3.26 3.21 0.05 3.18 0.08 -0.04 -4.63 117.98 123.08 2kuq s PHE 21 Ca 0.37 0.88 -0.30 0.00 0.12 0.00 0.00 56.93 58.00 2kuq s PHE 21 Cb -0.03 -3.24 -0.08 0.00 -0.57 0.00 0.00 43.02 39.09 2kuq s PHE 21 CO -0.09 -0.57 1.81 0.15 -0.10 0.00 0.00 175.22 176.43 2kuq s LYS 22 N 3.01 4.16 0.08 0.44 -0.14 -1.26 -0.92 119.74 125.10 2kuq s LYS 22 Ca 0.34 2.47 0.03 0.00 -1.36 0.00 0.00 55.97 57.45 2kuq s LYS 22 Cb -0.14 -3.88 -0.03 0.00 -1.68 0.00 0.00 37.83 32.10 2kuq s LYS 22 CO 0.12 -0.86 -0.09 0.14 -0.76 0.00 0.00 175.35 173.90 2kuq s VAL 23 N 3.60 0.79 -0.05 3.17 -7.23 -0.35 -4.67 120.40 115.65 2kuq s VAL 23 Ca 0.81 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 2kuq s VAL 23 Cb -0.41 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.29 2kuq s VAL 23 CO 0.36 -0.59 0.03 -0.89 -0.31 0.00 0.00 175.10 173.70 2kuq s THR 24 N -2.49 0.12 0.37 5.32 2.01 -1.12 -1.10 115.64 118.76 2kuq s THR 24 Ca 0.03 0.28 -0.27 0.00 0.31 0.00 0.00 61.69 62.04 2kuq s THR 24 Cb -0.02 -0.33 -0.09 0.00 0.01 0.00 0.00 72.50 72.06 2kuq s THR 24 CO -0.01 0.22 1.24 0.21 -0.69 0.00 0.00 174.62 175.58 2kuq s ASN 25 N 2.04 6.61 0.10 3.53 3.84 -0.28 -1.01 114.94 129.78 2kuq s ASN 25 Ca 0.05 2.53 0.05 0.00 0.21 0.00 0.00 52.86 55.69 2kuq s ASN 25 Cb -0.12 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 37.91 2kuq s ASN 25 CO -0.04 -0.63 -0.13 0.68 -2.79 0.00 0.00 177.10 174.19 2kuq s VAL 26 N -1.26 1.19 0.52 -5.21 -7.23 -1.11 -1.20 120.40 106.10 2kuq s VAL 26 Ca 0.53 -1.56 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 2kuq s VAL 26 Cb -0.36 -1.34 0.12 0.00 0.56 0.00 0.00 36.38 35.36 2kuq s VAL 26 CO 0.46 -0.38 0.68 -0.90 -0.31 0.00 0.00 175.10 174.65 2kuq n ASP 27 N 0.79 -0.13 0.04 4.85 5.75 -1.11 -4.75 116.55 122.00 2kuq n ASP 27 Ca -0.18 -1.20 0.08 0.00 -0.01 0.00 0.00 54.79 53.48 2kuq n ASP 27 Cb 0.56 -0.53 0.36 0.00 -1.03 0.00 0.00 41.12 40.48 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2kuq n ASP 28 N -3.50 0.21 -0.81 -1.12 5.75 -1.26 -1.67 116.55 114.15 2kuq n ASP 28 Ca 0.09 0.56 0.11 0.00 -0.01 0.00 0.00 54.79 55.53 2kuq n ASP 28 Cb 0.30 -0.60 0.08 0.00 -1.03 0.00 0.00 41.12 39.87 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kuq n GLU 29 N -1.74 1.89 -0.89 0.11 -0.58 -1.26 -5.00 120.64 113.17 2kuq n GLU 29 Ca 0.03 -1.68 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 2kuq n GLU 29 Cb 0.18 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.20 0.50 3.71 0.62 0.00 -0.67 -5.04 105.19 105.50 2kuq n GLY 30 Ca 0.12 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2kuq n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kuq s VAL 31 N -2.00 4.71 0.10 1.61 1.01 -1.26 -4.79 120.40 119.78 2kuq s VAL 31 Ca 0.00 1.95 -0.31 0.00 0.00 0.00 0.00 61.98 63.61 2kuq s VAL 31 Cb 0.00 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 2kuq s VAL 31 CO 0.00 0.13 1.85 -0.62 0.00 0.00 0.00 175.10 176.46 2kuq n GLU 32 N 4.08 2.77 -0.01 2.72 1.02 -1.26 -2.73 120.64 127.23 2kuq n GLU 32 Ca 0.07 1.01 -0.01 0.00 -0.02 0.00 0.00 57.16 58.21 2kuq n GLU 32 Cb 0.50 -2.91 -0.00 0.00 -0.02 0.00 0.00 31.44 29.01 2kuq n GLU 32 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kuq n LEU 33 N 5.87 0.28 -3.90 -4.62 4.77 -0.34 -4.62 117.00 114.44 2kuq n LEU 33 Ca 0.18 0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 2kuq n LEU 33 Cb 0.37 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 40.94 2kuq n LEU 33 CO 0.67 -0.49 -0.37 -0.83 -1.33 0.00 0.00 177.39 175.04 2kuq s GLY 34 N -3.27 0.07 0.30 -0.72 0.00 -1.24 -0.79 107.32 101.68 2kuq s GLY 34 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.53 2kuq s GLY 34 CO 0.05 -0.07 0.61 -1.35 0.00 0.00 0.00 173.10 172.33 2kuq s SER 35 N -0.09 6.52 0.26 1.64 1.04 -1.26 -1.12 113.70 120.69 2kuq s SER 35 Ca -0.00 0.88 -0.20 0.00 0.48 0.00 0.00 55.95 57.11 2kuq s SER 35 Cb -0.01 -2.21 0.06 0.00 0.10 0.00 0.00 66.02 63.96 2kuq s SER 35 CO -0.00 -0.21 0.90 -0.83 0.98 0.00 0.00 173.24 174.08 2kuq s GLY 36 N -2.93 0.11 -0.22 7.32 0.00 -0.26 -3.93 107.32 107.42 2kuq s GLY 36 Ca 0.47 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.82 2kuq s GLY 36 CO 0.28 0.75 -0.14 0.14 0.00 0.00 0.00 173.10 174.12 2kuq s VAL 37 N -2.63 2.04 0.22 1.40 1.01 0.45 -1.22 120.40 121.67 2kuq s VAL 37 Ca 0.17 -1.27 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 2kuq s VAL 37 Cb -0.04 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 2kuq s VAL 37 CO 0.07 0.22 0.64 -0.32 0.00 0.00 0.00 175.10 175.71 2kuq s MET 38 N 1.22 4.05 -0.11 2.72 0.00 -0.10 -1.16 119.30 125.92 2kuq s MET 38 Ca -0.02 0.62 -0.07 0.00 0.00 0.00 0.00 55.69 56.22 2kuq s MET 38 Cb -0.17 -2.77 0.04 0.00 0.00 0.00 0.00 34.83 31.93 2kuq s MET 38 CO -0.09 0.36 0.27 -2.00 0.00 0.00 0.00 175.02 173.57 2kuq s GLU 39 N -2.29 0.25 -0.20 4.11 2.12 0.11 -0.86 118.70 121.94 2kuq s GLU 39 Ca 0.44 0.51 0.00 0.00 0.36 0.00 0.00 54.97 56.28 2kuq s GLU 39 Cb -0.14 -0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.23 2kuq s GLU 39 CO 0.20 -0.13 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.12 2kuq s LEU 40 N 0.97 2.49 0.48 2.70 1.02 -1.26 -0.15 118.68 124.93 2kuq s LEU 40 Ca -0.07 -0.72 0.08 0.00 0.02 0.00 0.00 54.13 53.44 2kuq s LEU 40 Cb -0.08 -1.54 0.03 0.00 0.02 0.00 0.00 46.19 44.62 2kuq s LEU 40 CO -0.07 -0.04 0.56 0.42 0.02 0.00 0.00 176.35 177.24 2kuq s THR 41 N 1.30 2.44 -1.11 5.49 -4.23 -0.61 -5.00 115.64 113.92 2kuq s THR 41 Ca 0.03 -1.17 0.08 0.00 -1.18 0.00 0.00 61.69 59.45 2kuq s THR 41 Cb -0.14 -2.61 0.09 0.00 1.34 0.00 0.00 72.50 71.17 2kuq s THR 41 CO -0.10 0.00 1.23 1.67 -0.54 0.00 0.00 174.62 176.88 2kuq n GLN 42 N -1.87 0.03 -0.07 3.99 0.00 -1.26 -3.67 117.38 114.53 2kuq n GLN 42 Ca 0.08 0.32 -0.10 0.00 -0.00 0.00 0.00 57.00 57.30 2kuq n GLN 42 Cb 0.61 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.29 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 -1.45 2.85 -3.58 1.69 7.64 -1.26 -5.08 113.62 114.43 2kuq n SER 43 Ca 0.02 -0.06 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 2kuq n SER 43 Cb 0.09 -0.22 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.26 1.53 0.04 1.43 1.03 -1.24 -4.45 118.70 114.77 2kuq s GLU 44 Ca -0.18 -0.90 -0.28 0.00 0.03 0.00 0.00 54.97 53.64 2kuq s GLU 44 Cb 0.05 0.49 -0.05 0.00 -0.80 0.00 0.00 34.13 33.82 2kuq s GLU 44 CO 0.30 -0.71 0.89 -1.17 -1.33 0.00 0.00 175.26 173.24 2kuq s LEU 45 N -3.04 4.43 0.05 1.83 0.20 -0.55 -1.57 118.68 120.03 2kuq s LEU 45 Ca 0.14 1.59 0.05 0.00 0.69 0.00 0.00 54.13 56.61 2kuq s LEU 45 Cb -0.03 -3.43 -0.02 0.00 -0.43 0.00 0.00 46.19 42.27 2kuq s LEU 45 CO 0.05 -0.11 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.17 2kuq s VAL 46 N 0.38 1.17 -0.04 1.68 1.01 0.79 -1.12 120.40 124.28 2kuq s VAL 46 Ca 0.45 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2kuq s VAL 46 Cb -0.21 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2kuq s VAL 46 CO 0.26 -0.06 0.06 -0.22 0.00 0.00 0.00 175.10 175.13 2kuq s LEU 47 N -1.37 0.47 -0.22 3.92 0.20 0.17 -0.71 118.68 121.15 2kuq s LEU 47 Ca 0.01 0.08 -0.07 0.00 0.69 0.00 0.00 54.13 54.84 2kuq s LEU 47 Cb -0.09 -0.09 -0.03 0.00 -0.43 0.00 0.00 46.19 45.55 2kuq s LEU 47 CO 0.02 -0.21 0.06 -1.00 -0.29 0.00 0.00 176.35 174.93 2kuq s HIS 48 N 1.77 3.14 0.07 5.38 3.76 -0.31 -0.73 115.29 128.37 2kuq s HIS 48 Ca -0.00 -0.20 0.09 0.00 -0.15 0.00 0.00 55.06 54.80 2kuq s HIS 48 Cb -0.12 -2.16 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 2kuq s HIS 48 CO -0.03 -0.13 -0.26 -0.51 -0.85 0.00 0.00 174.74 172.97 2kuq s LEU 49 N 1.03 2.21 -0.02 0.89 1.02 -1.26 -0.41 118.68 122.14 2kuq s LEU 49 Ca 0.04 -0.63 -0.30 0.00 0.02 0.00 0.00 54.13 53.26 2kuq s LEU 49 Cb -0.14 -1.21 -0.05 0.00 0.02 0.00 0.00 46.19 44.81 2kuq s LEU 49 CO 0.03 0.22 1.42 -1.00 0.02 0.00 0.00 176.35 177.03 2kuq s HIS 50 N -0.89 2.76 -1.28 0.29 3.76 -1.25 -3.36 115.29 115.33 2kuq s HIS 50 Ca 0.12 0.77 -0.06 0.00 -0.15 0.00 0.00 55.06 55.73 2kuq s HIS 50 Cb -0.10 -3.68 -0.01 0.00 1.11 0.00 0.00 32.58 29.91 2kuq s HIS 50 CO 0.03 -2.53 0.65 -2.13 -0.85 0.00 0.00 174.74 169.90 2kuq n ARG 51 N 5.64 -3.22 -3.61 1.40 3.00 -1.26 -4.99 116.66 113.61 2kuq n ARG 51 Ca 0.14 0.52 -0.10 0.00 -0.00 0.00 0.00 57.85 58.40 2kuq n ARG 51 Cb 0.44 -4.70 -0.03 0.00 0.00 0.00 0.00 32.46 28.17 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 -6.09 1.35 0.55 -0.14 1.81 -1.21 -5.06 118.95 110.16 2kuq s ARG 52 Ca 0.16 -0.70 -0.18 0.00 -1.72 0.00 0.00 55.73 53.29 2kuq s ARG 52 Cb -0.05 0.55 -0.05 0.00 -0.45 0.00 0.00 34.95 34.95 2kuq s ARG 52 CO 0.85 -0.58 1.07 -1.21 -0.68 0.00 0.00 175.30 174.75 2kuq s GLU 53 N -3.82 3.44 0.41 3.54 0.41 -1.26 -4.69 118.70 116.73 2kuq s GLU 53 Ca 0.05 1.37 -0.23 0.00 -0.41 0.00 0.00 54.97 55.75 2kuq s GLU 53 Cb -0.01 -2.04 -0.09 0.00 -1.78 0.00 0.00 34.13 30.21 2kuq s GLU 53 CO -0.07 -0.73 1.02 0.00 -0.49 0.00 0.00 175.26 174.98 2kuq s ALA 54 N -2.13 3.05 -0.05 5.21 0.00 -1.26 -4.42 121.76 122.16 2kuq s ALA 54 Ca 0.67 0.61 0.06 0.00 0.00 0.00 0.00 51.96 53.30 2kuq s ALA 54 Cb -0.18 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 2kuq s ALA 54 CO 0.29 -0.13 -0.23 0.08 0.00 0.00 0.00 175.76 175.77 2kuq s VAL 55 N -1.81 2.21 -0.02 0.00 1.01 0.09 -4.97 120.40 116.91 2kuq s VAL 55 Ca 0.60 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2kuq s VAL 55 Cb -0.18 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2kuq s VAL 55 CO 0.23 0.57 -0.16 -0.13 0.00 0.00 0.00 175.10 175.62 2kuq s ARG 56 N -0.27 1.32 -0.15 2.72 0.52 -1.26 -0.65 118.95 121.18 2kuq s ARG 56 Ca -0.00 -0.55 -0.03 0.00 -0.52 0.00 0.00 55.73 54.63 2kuq s ARG 56 Cb -0.13 -1.25 0.05 0.00 0.52 0.00 0.00 34.95 34.14 2kuq s ARG 56 CO 0.03 0.31 0.04 -1.58 0.02 0.00 0.00 175.30 174.12 2kuq s TRP 57 N -0.29 0.76 0.32 -0.53 0.51 -0.27 -4.47 118.94 114.97 2kuq s TRP 57 Ca 0.04 -0.54 -0.29 0.00 -2.12 0.00 0.00 56.10 53.20 2kuq s TRP 57 Cb -0.07 -0.89 -0.10 0.00 -0.81 0.00 0.00 33.47 31.60 2kuq s TRP 57 CO -0.00 -0.50 1.27 -1.25 -0.51 0.00 0.00 176.95 175.96 2kuq s PRO 58 N 1.95 4.41 0.44 4.98 0.04 -1.26 -1.49 135.00 144.07 2kuq s PRO 58 Ca 0.01 2.13 0.11 0.00 0.04 0.00 0.00 61.00 63.30 2kuq s PRO 58 Cb -0.15 -3.10 0.97 0.00 0.04 0.00 0.00 34.50 32.26 2kuq s PRO 58 CO -0.07 -0.11 2.02 1.88 0.04 0.00 0.00 177.00 180.76 2kuq h TYR 59 N 3.53 0.21 0.00 0.56 0.05 -1.94 -0.84 116.97 118.53 2kuq h TYR 59 Ca -0.48 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kuq h TYR 59 Cb 1.22 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.90 2kuq h TYR 59 CO 0.57 0.23 0.00 1.47 -1.05 0.00 0.00 178.16 179.37 2kuq n LEU 60 N -4.40 0.65 -1.20 3.88 -0.00 -1.26 -1.61 117.00 113.06 2kuq n LEU 60 Ca -0.01 0.69 0.09 0.00 -0.00 0.00 0.00 56.01 56.79 2kuq n LEU 60 Cb 0.17 -0.64 0.28 0.00 -0.00 0.00 0.00 43.42 43.23 2kuq n LEU 60 CO 0.36 -0.65 0.74 0.00 -0.00 0.00 0.00 177.39 177.84 2kuq s LEU 62 N -1.28 5.50 0.11 0.00 1.43 -0.63 -0.62 118.68 123.19 2kuq s LEU 62 Ca 0.42 -1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 2kuq s LEU 62 Cb 0.24 -2.28 -0.19 0.00 0.03 0.00 0.00 46.19 43.99 2kuq s LEU 62 CO 0.26 -0.83 1.23 0.03 0.23 0.00 0.00 176.35 177.27 2kuq h ARG 63 N 8.91 0.26 -2.83 1.70 2.47 -1.86 -3.35 114.38 119.68 2kuq h ARG 63 Ca -0.29 -0.37 -0.07 0.00 -1.26 0.00 0.00 59.98 57.99 2kuq h ARG 63 Cb 1.10 0.13 -0.17 0.00 -1.65 0.00 0.00 29.97 29.38 2kuq h ARG 63 CO 0.97 1.13 -0.05 -0.98 0.56 0.00 0.00 179.97 181.60 2kuq s ARG 64 N -2.87 0.94 -0.13 0.04 1.70 -1.26 -2.31 118.95 115.06 2kuq s ARG 64 Ca -0.04 -0.23 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 2kuq s ARG 64 Cb 0.08 0.43 0.08 0.00 -0.57 0.00 0.00 34.95 34.97 2kuq s ARG 64 CO 0.86 -0.32 0.75 1.52 -1.08 0.00 0.00 175.30 177.04 2kuq s TYR 65 N -2.18 -0.64 0.26 5.89 -0.85 -0.45 -1.19 117.35 118.19 2kuq s TYR 65 Ca -0.07 1.26 -0.16 0.00 -0.52 0.00 0.00 57.07 57.58 2kuq s TYR 65 Cb -0.01 0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.71 2kuq s TYR 65 CO 0.00 -0.49 0.57 0.20 -1.52 0.00 0.00 175.55 174.30 2kuq s GLY 66 N -0.71 0.28 -0.21 5.49 0.00 0.11 -0.73 107.32 111.55 2kuq s GLY 66 Ca -0.06 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 2kuq s GLY 66 CO 0.06 -0.42 0.56 -2.52 0.00 0.00 0.00 173.10 170.78 2kuq s TYR 67 N -3.98 -0.65 0.47 1.90 1.13 -1.25 -1.55 117.35 113.43 2kuq s TYR 67 Ca 0.18 1.53 0.05 0.00 -1.41 0.00 0.00 57.07 57.43 2kuq s TYR 67 Cb -0.03 0.25 0.05 0.00 -1.10 0.00 0.00 41.96 41.14 2kuq s TYR 67 CO 0.08 -0.32 0.45 -3.47 -2.51 0.00 0.00 175.55 169.78 2kuq n ASP 68 N 3.03 2.24 0.14 -0.18 -0.08 0.41 -4.61 116.55 117.50 2kuq n ASP 68 Ca -0.15 -2.49 0.12 0.00 -1.51 0.00 0.00 54.79 50.76 2kuq n ASP 68 Cb 0.56 -0.14 0.51 0.00 2.34 0.00 0.00 41.12 44.39 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 -2.05 0.65 -0.16 1.67 7.64 -1.26 -3.46 113.62 116.65 2kuq n SER 69 Ca 0.03 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2kuq n SER 69 Cb 0.52 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.25 0.00 -3.72 6.43 4.13 -1.26 -4.71 115.26 113.89 2kuq n ASN 70 Ca 0.01 -1.24 -0.12 0.00 1.68 0.00 0.00 54.58 54.91 2kuq n ASN 70 Cb 0.19 -0.05 -0.13 0.00 -1.54 0.00 0.00 39.78 38.25 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kuq s LEU 71 N 0.00 0.25 -0.10 3.41 2.96 -1.22 -1.00 118.68 122.98 2kuq s LEU 71 Ca 0.00 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 2kuq s LEU 71 Cb 0.00 0.82 -0.02 0.00 0.50 0.00 0.00 46.19 47.48 2kuq s LEU 71 CO 0.00 -0.18 -0.10 0.12 -1.32 0.00 0.00 176.35 174.87 2kuq s PHE 72 N 1.43 2.87 0.01 5.38 5.36 -0.22 -0.44 117.98 132.36 2kuq s PHE 72 Ca -0.08 -0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 55.57 2kuq s PHE 72 Cb -0.10 -1.79 -0.01 0.00 -0.34 0.00 0.00 43.02 40.77 2kuq s PHE 72 CO -0.09 0.03 -0.01 0.45 -1.46 0.00 0.00 175.22 174.14 2kuq s SER 73 N -0.13 0.18 0.14 6.13 0.15 -0.59 -1.07 113.70 118.51 2kuq s SER 73 Ca 0.00 -0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 2kuq s SER 73 Cb -0.13 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 2kuq s SER 73 CO 0.03 -0.24 0.39 0.72 1.20 0.00 0.00 173.24 175.34 2kuq s PHE 74 N -1.16 -0.06 -0.17 3.44 -0.71 -0.68 -0.71 117.98 117.94 2kuq s PHE 74 Ca -0.13 -0.29 -0.01 0.00 -1.04 0.00 0.00 56.93 55.47 2kuq s PHE 74 Cb -0.08 0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.94 2kuq s PHE 74 CO -0.01 -0.74 -0.12 -2.00 -1.34 0.00 0.00 175.22 171.01 2kuq s GLU 75 N -3.85 3.30 -0.14 1.99 -6.30 -0.33 -1.69 118.70 111.68 2kuq s GLU 75 Ca 0.07 -0.70 -0.13 0.00 -2.50 0.00 0.00 54.97 51.71 2kuq s GLU 75 Cb 0.02 -2.72 -0.05 0.00 0.00 0.00 0.00 34.13 31.37 2kuq s GLU 75 CO -0.08 0.01 0.29 -1.54 0.02 0.00 0.00 175.26 173.96 2kuq s SER 76 N 0.86 6.47 1.01 -1.70 1.04 -0.30 -3.69 113.70 117.39 2kuq s SER 76 Ca -0.03 0.55 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 2kuq s SER 76 Cb -0.15 -2.18 0.19 0.00 0.10 0.00 0.00 66.02 63.99 2kuq s SER 76 CO 0.00 0.16 1.14 -0.83 0.98 0.00 0.00 173.24 174.70 2kuq s GLY 77 N 0.11 1.60 0.48 7.32 0.00 0.20 -2.95 107.32 114.08 2kuq s GLY 77 Ca 0.17 -0.67 0.17 0.00 0.00 0.00 0.00 44.72 44.39 2kuq s GLY 77 CO 0.05 -0.00 2.04 3.21 0.00 0.00 0.00 173.10 178.40 2kuq h ARG 78 N -1.86 0.00 -2.78 2.90 2.47 -1.86 -3.31 114.38 109.94 2kuq h ARG 78 Ca -0.49 0.00 -0.80 0.00 -1.26 0.00 0.00 59.98 57.42 2kuq h ARG 78 Cb 1.31 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.37 2kuq h ARG 78 CO 0.52 0.14 0.98 0.54 0.56 0.00 0.00 179.97 182.70 2kuq n ARG 79 N -4.24 4.68 -3.97 0.04 5.12 -1.26 -4.47 116.66 112.57 2kuq n ARG 79 Ca -0.02 -4.49 -0.09 0.00 -1.93 0.00 0.00 57.85 51.32 2kuq n ARG 79 Cb 0.21 -2.53 -0.04 0.00 -1.16 0.00 0.00 32.46 28.94 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kuq h GLN 81 N 2.19 0.90 0.00 0.00 -0.00 -1.92 -2.17 115.11 114.10 2kuq h GLN 81 Ca -0.25 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 2kuq h GLN 81 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.56 2kuq h GLN 81 CO 0.33 0.68 -0.14 1.79 0.00 0.00 0.00 178.83 181.49 2kuq h THR 82 N 0.90 0.00 -0.65 2.39 1.35 -1.95 -3.50 112.91 111.44 2kuq h THR 82 Ca 0.22 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2kuq h THR 82 Cb 0.07 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2kuq h THR 82 CO -0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 2kuq n GLY 83 N 1.29 -1.04 3.75 5.82 0.00 -0.82 -4.83 105.19 109.37 2kuq n GLY 83 Ca 0.05 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 4.20 0.00 1.61 -0.44 -1.25 -4.60 119.66 119.19 2kuq s GLN 84 Ca 0.00 2.42 0.00 0.00 -2.50 0.00 0.00 55.36 55.28 2kuq s GLN 84 Cb 0.00 -3.06 0.00 0.00 -1.64 0.00 0.00 33.01 28.31 2kuq s GLN 84 CO 0.00 -0.49 0.00 0.41 0.50 0.00 0.00 175.29 175.71 2kuq n GLY 85 N 1.89 -0.74 3.09 2.59 0.00 -1.15 -5.00 105.19 105.86 2kuq n GLY 85 Ca 0.06 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 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 1.39 -0.02 -0.61 1.01 -1.26 -1.14 121.20 118.57 2kuq s ILE 86 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.05 2kuq s ILE 86 Cb 0.00 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 2kuq s ILE 86 CO 0.00 0.41 -0.15 -0.36 0.00 0.00 0.00 174.94 174.84 2kuq s PHE 87 N 0.46 1.40 0.01 3.97 0.08 -0.68 -1.11 117.98 122.10 2kuq s PHE 87 Ca -0.13 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.63 2kuq s PHE 87 Cb -0.15 -0.92 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 2kuq s PHE 87 CO 0.05 -0.05 -0.03 0.00 -0.10 0.00 0.00 175.22 175.08 2kuq s ALA 88 N -0.26 0.25 -0.01 5.36 0.00 -1.26 -1.69 121.76 124.16 2kuq s ALA 88 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2kuq s ALA 88 Cb -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2kuq s ALA 88 CO -0.00 0.02 -0.00 -0.06 0.00 0.00 0.00 175.76 175.72 2kuq s PHE 89 N -0.36 0.09 -0.16 0.00 0.40 -0.23 -2.74 117.98 114.99 2kuq s PHE 89 Ca -0.02 0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.10 2kuq s PHE 89 Cb -0.03 -0.11 -0.03 0.00 0.51 0.00 0.00 43.02 43.36 2kuq s PHE 89 CO -0.00 -0.03 0.68 0.21 0.70 0.00 0.00 175.22 176.78 2kuq s LYS 90 N 0.25 4.28 -0.29 0.44 2.20 -0.18 -1.06 119.74 125.38 2kuq s LYS 90 Ca -0.02 0.74 -0.16 0.00 -0.36 0.00 0.00 55.97 56.18 2kuq s LYS 90 Cb -0.04 -3.54 0.15 0.00 -1.51 0.00 0.00 37.83 32.89 2kuq s LYS 90 CO -0.01 -0.18 0.99 0.00 -0.36 0.00 0.00 175.35 175.79 2kuq h SER 92 N 6.52 0.87 -0.04 0.00 0.87 -1.84 -2.73 113.55 117.19 2kuq h SER 92 Ca -0.24 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 2kuq h SER 92 Cb 1.17 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2kuq h SER 92 CO 0.16 0.81 0.01 0.54 -0.53 0.00 0.00 176.83 177.82 2kuq n ARG 93 N -4.28 1.23 -0.17 2.24 1.74 -1.26 -4.29 116.66 111.87 2kuq n ARG 93 Ca 0.05 -0.21 0.20 0.00 -0.77 0.00 0.00 57.85 57.12 2kuq n ARG 93 Cb 0.21 -1.47 0.58 0.00 -1.02 0.00 0.00 32.46 30.75 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 2.10 2.34 -0.72 7.54 0.00 -1.78 -0.10 119.26 128.64 2kuq h ALA 94 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kuq h ALA 94 Cb 0.69 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2kuq h ALA 94 CO 0.04 -0.57 0.37 1.49 0.00 0.00 0.00 179.25 180.58 2kuq h GLU 95 N 0.27 1.02 -0.13 0.00 4.81 -1.79 -1.78 114.58 116.97 2kuq h GLU 95 Ca 0.40 -0.14 -0.20 0.00 -0.13 0.00 0.00 59.36 59.29 2kuq h GLU 95 Cb 1.14 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2kuq h GLU 95 CO -0.10 0.78 -0.72 0.93 -0.73 0.00 0.00 179.01 179.17 2kuq h GLU 96 N 1.00 0.60 -0.04 1.92 4.39 -1.40 -0.38 114.58 120.68 2kuq h GLU 96 Ca 0.25 -0.48 0.01 0.00 0.34 0.00 0.00 59.36 59.48 2kuq h GLU 96 Cb 0.08 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2kuq h GLU 96 CO -0.04 1.10 -0.02 0.82 -1.16 0.00 0.00 179.01 179.71 2kuq h ILE 97 N 0.42 0.93 -0.28 3.13 2.04 -1.18 -0.55 117.51 122.02 2kuq h ILE 97 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2kuq h ILE 97 Cb 1.32 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2kuq h ILE 97 CO 0.14 0.00 0.16 0.15 0.00 0.00 0.00 178.15 178.60 2kuq h PHE 98 N -0.02 0.38 -0.02 1.37 3.04 -1.31 -0.62 116.94 119.77 2kuq h PHE 98 Ca 0.02 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 2kuq h PHE 98 Cb 0.06 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 2kuq h PHE 98 CO -0.12 0.31 -0.54 -2.95 -2.02 0.00 0.00 178.31 173.00 2kuq h ASN 99 N 0.34 0.05 -0.14 0.41 7.08 -0.94 -2.21 115.58 120.17 2kuq h ASN 99 Ca 0.10 -0.03 -0.12 0.00 -3.08 0.00 0.00 56.30 53.18 2kuq h ASN 99 Cb 0.05 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 2kuq h ASN 99 CO -0.02 0.58 -0.37 0.25 -2.08 0.00 0.00 177.43 175.79 2kuq h LEU 100 N 0.04 0.57 -0.41 6.14 5.85 -1.07 -2.90 115.31 123.53 2kuq h LEU 100 Ca -0.00 -0.58 0.05 0.00 0.84 0.00 0.00 57.88 58.18 2kuq h LEU 100 Cb 0.96 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2kuq h LEU 100 CO 0.07 1.05 0.16 0.25 -0.34 0.00 0.00 178.44 179.63 2kuq h LEU 101 N 0.11 0.19 -0.78 2.25 5.85 -0.83 -0.78 115.31 121.32 2kuq h LEU 101 Ca -0.01 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 2kuq h LEU 101 Cb 0.98 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2kuq h LEU 101 CO 0.08 0.14 -0.51 0.06 -0.34 0.00 0.00 178.44 177.87 2kuq h GLN 102 N 0.33 0.00 -0.16 1.25 -0.00 -1.51 -2.89 115.11 112.13 2kuq h GLN 102 Ca 0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.64 2kuq h GLN 102 Cb 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.64 2kuq h GLN 102 CO -0.18 0.51 -0.67 -0.44 -0.00 0.00 0.00 178.83 178.05 2kuq h ASP 103 N 0.00 0.86 0.65 0.06 3.32 -1.23 -3.17 116.42 116.90 2kuq h ASP 103 Ca -0.01 -0.62 -0.03 0.00 0.02 0.00 0.00 57.03 56.39 2kuq h ASP 103 Cb 1.04 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2kuq h ASP 103 CO 0.07 1.34 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.71 2kuq h LEU 104 N 0.44 0.00 -1.00 1.55 3.38 -1.15 -0.85 115.31 117.68 2kuq h LEU 104 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2kuq h LEU 104 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2kuq h LEU 104 CO 0.14 0.15 -0.42 0.24 0.09 0.00 0.00 178.44 178.64 2kuq h MET 105 N 0.00 0.17 -0.00 1.13 2.86 -1.50 -3.28 114.93 114.30 2kuq h MET 105 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2kuq h MET 105 Cb 0.51 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2kuq h MET 105 CO 0.02 0.56 -0.81 0.00 1.06 0.00 0.00 176.91 177.74 2kuq n GLN 106 N -4.03 0.32 -1.32 1.72 10.64 -0.73 -4.74 117.38 119.24 2kuq n GLN 106 Ca -0.02 -0.26 -0.38 0.00 -1.83 0.00 0.00 57.00 54.52 2kuq n GLN 106 Cb 0.47 -1.49 -0.02 0.00 -0.86 0.00 0.00 30.24 28.34 2kuq n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kuq n ASN 108 N 4.84 4.18 -1.29 0.00 5.15 -1.26 -4.23 115.26 122.65 2kuq n ASN 108 Ca 0.62 -2.75 -0.13 0.00 -0.60 0.00 0.00 54.58 51.72 2kuq n ASN 108 Cb 0.28 -1.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.00 2kuq n ASN 108 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2kuq n SER 109 N 6.03 -4.16 -4.51 1.20 2.88 -1.26 -4.98 113.62 108.81 2kuq n SER 109 Ca 0.54 0.09 -0.43 0.00 -1.33 0.00 0.00 58.87 57.75 2kuq n SER 109 Cb 0.36 -3.17 -0.05 0.00 -0.75 0.00 0.00 64.21 60.60 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 -2.58 4.61 0.14 2.46 1.01 -1.26 -5.03 121.20 120.54 2kuq s ILE 110 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 2kuq s ILE 110 Cb 0.00 -4.39 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 2kuq s ILE 110 CO 0.00 -0.89 1.52 0.20 0.00 0.00 0.00 174.94 175.78 2kuq s ASN 111 N 2.53 6.66 -0.18 3.58 0.01 -1.26 -5.01 114.94 121.26 2kuq s ASN 111 Ca 0.26 2.51 -0.28 0.00 -0.71 0.00 0.00 52.86 54.64 2kuq s ASN 111 Cb -0.14 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.02 2kuq s ASN 111 CO 0.19 -0.78 0.78 0.54 -1.51 0.00 0.00 177.10 176.31 2kuq s VAL 112 N 1.32 0.00 0.50 1.60 0.11 -1.26 -5.17 120.40 117.49 2kuq s VAL 112 Ca 0.69 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.53 2kuq s VAL 112 Cb -0.41 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.36 2kuq s VAL 112 CO 0.31 0.00 1.07 -0.04 -3.33 0.00 0.00 175.10 173.11 2kuq s MET 113 N -0.34 3.67 0.47 1.54 -1.94 -1.26 -5.03 119.30 116.42 2kuq s MET 113 Ca -0.04 1.47 -0.23 0.00 -1.71 0.00 0.00 55.69 55.18 2kuq s MET 113 Cb -0.03 -2.10 -0.07 0.00 2.01 0.00 0.00 34.83 34.64 2kuq s MET 113 CO 0.03 -0.56 1.22 -1.83 -0.01 0.00 0.00 175.02 173.87 2kuq s GLU 114 N -3.18 3.66 0.42 2.03 -1.05 -1.26 -5.04 118.70 114.28 2kuq s GLU 114 Ca 0.68 1.90 -0.22 0.00 -0.15 0.00 0.00 54.97 57.19 2kuq s GLU 114 Cb -0.20 -2.42 -0.10 0.00 -0.44 0.00 0.00 34.13 30.97 2kuq s GLU 114 CO 0.23 -0.67 0.98 -1.21 0.95 0.00 0.00 175.26 175.54 2kuq s GLU 115 N -2.68 4.20 0.67 -4.83 2.02 -1.26 -5.05 118.70 111.76 2kuq s GLU 115 Ca 0.64 1.24 -0.14 0.00 0.02 0.00 0.00 54.97 56.73 2kuq s GLU 115 Cb -0.32 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2kuq s GLU 115 CO 0.39 -0.06 1.09 -1.25 0.02 0.00 0.00 175.26 175.45 2kuq s PRO 116 N -2.93 2.81 -0.17 0.39 0.04 -1.26 -5.05 135.00 128.83 2kuq s PRO 116 Ca 0.61 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 2kuq s PRO 116 Cb -0.13 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2kuq s PRO 116 CO 0.18 -1.23 0.01 0.08 0.04 0.00 0.00 177.00 176.07 2kuq s VAL 117 N -2.49 4.21 -0.06 -0.36 1.01 -1.26 -5.11 120.40 116.34 2kuq s VAL 117 Ca 0.65 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 2kuq s VAL 117 Cb -0.19 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2kuq s VAL 117 CO 0.44 0.47 0.19 -0.63 0.00 0.00 0.00 175.10 175.57 2kuq s ILE 118 N 0.51 5.42 -0.46 2.22 1.09 -1.26 -5.05 121.20 123.67 2kuq s ILE 118 Ca -0.01 0.14 -0.28 0.00 -1.10 0.00 0.00 60.65 59.41 2kuq s ILE 118 Cb -0.14 -3.49 -0.01 0.00 -1.06 0.00 0.00 42.46 37.77 2kuq s ILE 118 CO 0.02 0.49 1.66 -0.63 -0.10 0.00 0.00 174.94 176.38 2kuq s ILE 119 N -1.16 3.59 -0.04 2.92 1.01 -1.26 -4.95 121.20 121.30 2kuq s ILE 119 Ca 0.21 0.53 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 2kuq s ILE 119 Cb -0.13 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.37 2kuq s ILE 119 CO 0.11 -0.76 0.14 -0.89 0.00 0.00 0.00 174.94 173.54 2kuq s THR 120 N 7.00 0.02 0.63 2.92 2.01 -1.26 -5.17 115.64 121.78 2kuq s THR 120 Ca 0.67 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 2kuq s THR 120 Cb -0.16 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 2kuq s THR 120 CO 0.28 -0.07 1.06 -0.94 -0.69 0.00 0.00 174.62 174.26 2kuq s SER 121 N -0.18 5.63 0.46 3.53 1.04 -1.26 -4.55 113.70 118.37 2kuq s SER 121 Ca -0.03 1.77 0.08 0.00 0.48 0.00 0.00 55.95 58.26 2kuq s SER 121 Cb -0.02 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.60 2kuq s SER 121 CO 0.00 -1.27 0.61 -0.83 0.98 0.00 0.00 173.24 172.73 2kuq s GLY 122 N -3.06 1.91 0.26 7.32 0.00 -1.22 -4.88 107.32 107.65 2kuq s GLY 122 Ca 0.62 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.24 2kuq s GLY 122 CO 0.42 -1.56 1.03 -0.56 0.00 0.00 0.00 173.10 172.43 2kuq s SER 123 N -4.42 7.44 -0.11 1.64 0.01 -1.26 -4.97 113.70 112.03 2kuq s SER 123 Ca 0.56 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.94 2kuq s SER 123 Cb -0.08 -2.62 0.10 0.00 0.21 0.00 0.00 66.02 63.63 2kuq s SER 123 CO 0.34 -0.01 1.70 -1.54 0.41 0.00 0.00 173.24 174.14 2kuq n SER 124 N 1.36 4.81 -4.77 2.44 3.41 -1.26 -4.98 113.62 114.63 2kuq n SER 124 Ca -0.01 -2.53 -0.41 0.00 -0.26 0.00 0.00 58.87 55.66 2kuq n SER 124 Cb 0.46 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.50 2kuq n SER 124 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kuq s GLY 125 N 1.04 2.96 0.09 5.00 0.00 -1.26 -5.04 107.32 110.11 2kuq s GLY 125 Ca 0.11 1.42 0.04 0.00 0.00 0.00 0.00 44.72 46.29 2kuq s GLY 125 CO 0.01 2.08 -0.10 -0.56 0.00 0.00 0.00 173.10 174.52 2kuq s SER 126 N -0.37 1.45 -0.05 1.64 0.01 -1.26 -5.03 113.70 110.09 2kuq s SER 126 Ca 0.53 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 2kuq s SER 126 Cb -0.43 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 2kuq s SER 126 CO 0.57 -0.25 1.43 -0.44 0.41 0.00 0.00 173.24 174.96 2kuq s SER 127 N -2.39 6.83 -0.08 2.44 0.01 -1.26 -4.47 113.70 114.78 2kuq s SER 127 Ca 0.05 2.05 -0.09 0.00 1.31 0.00 0.00 55.95 59.27 2kuq s SER 127 Cb -0.03 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2kuq s SER 127 CO 0.00 -0.78 -0.17 0.61 0.41 0.00 0.00 173.24 173.31 2kuq n GLY 128 N 3.75 -0.40 3.60 3.44 0.00 -0.77 -5.03 105.19 109.77 2kuq n GLY 128 Ca 0.14 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2kuq n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 129 N -5.31 -0.56 -0.02 1.61 1.04 0.03 -5.04 113.70 105.46 2kuq s SER 129 Ca -0.14 0.91 -0.29 0.00 0.48 0.00 0.00 55.95 56.90 2kuq s SER 129 Cb 0.02 0.86 0.10 0.00 0.10 0.00 0.00 66.02 67.10 2kuq s SER 129 CO 0.21 -0.32 0.93 -0.44 0.98 0.00 0.00 173.24 174.60 2kuq s SER 130 N -0.31 -0.33 0.00 7.02 0.01 -1.26 -4.28 113.70 114.55 2kuq s SER 130 Ca -0.02 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2kuq s SER 130 Cb -0.03 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2kuq s SER 130 CO 0.01 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2kuq n GLY 131 N -0.24 -0.37 0.00 3.44 0.00 -1.26 -4.90 105.19 101.86 2kuq n GLY 131 Ca -0.08 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2kuq n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kuq n SER 132 N 0.00 0.00 -4.04 1.61 7.64 -1.26 -4.63 113.62 112.94 2kuq n SER 132 Ca 0.00 0.09 -0.20 0.00 1.01 0.00 0.00 58.87 59.77 2kuq n SER 132 Cb 0.00 -0.28 -0.15 0.00 -1.01 0.00 0.00 64.21 62.77 2kuq n SER 132 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kuq s SER 133 N -2.57 1.20 0.00 6.43 0.01 -1.26 -5.15 113.70 112.37 2kuq s SER 133 Ca 0.13 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2kuq s SER 133 Cb 0.09 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2kuq s SER 133 CO 0.21 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2kuq n GLY 134 N 2.85 1.21 3.73 3.44 0.00 -1.26 -4.65 105.19 110.52 2kuq n GLY 134 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.97 118.68 119.10 2kuq s LEU 135 Ca 0.00 2.87 -0.25 0.00 -1.03 0.00 0.00 54.13 55.72 2kuq s LEU 135 Cb 0.00 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2kuq s LEU 135 CO 0.00 -0.92 0.81 0.12 0.23 0.00 0.00 176.35 176.59 2kuq s PHE 136 N 0.61 3.47 -0.19 0.29 2.19 -1.26 -5.05 117.98 118.04 2kuq s PHE 136 Ca 0.69 1.29 -0.21 0.00 0.33 0.00 0.00 56.93 59.03 2kuq s PHE 136 Cb -0.48 -2.98 -0.03 0.00 -1.31 0.00 0.00 43.02 38.23 2kuq s PHE 136 CO 0.39 -0.15 0.62 1.03 1.83 0.00 0.00 175.22 178.94 2kuq s ARG 137 N 1.77 4.23 0.28 10.12 3.00 -1.26 -4.69 118.95 132.39 2kuq s ARG 137 Ca 0.39 0.61 -0.25 0.00 0.00 0.00 0.00 55.73 56.49 2kuq s ARG 137 Cb -0.17 -3.56 -0.09 0.00 0.00 0.00 0.00 34.95 31.12 2kuq s ARG 137 CO 0.15 -0.21 0.88 -0.51 0.00 0.00 0.00 175.30 175.61 2kuq s LEU 138 N 1.79 4.38 0.26 2.53 1.43 -0.27 -4.95 118.68 123.85 2kuq s LEU 138 Ca 0.29 1.72 0.13 0.00 -1.03 0.00 0.00 54.13 55.24 2kuq s LEU 138 Cb -0.16 -3.82 0.21 0.00 0.03 0.00 0.00 46.19 42.44 2kuq s LEU 138 CO 0.11 -0.01 1.51 0.03 0.23 0.00 0.00 176.35 178.22 2kuq h ARG 139 N 3.39 0.00 -4.82 1.70 3.08 -1.98 -3.36 114.38 112.39 2kuq h ARG 139 Ca -0.47 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.30 2kuq h ARG 139 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.10 2kuq h ARG 139 CO 0.65 0.62 -0.68 -3.38 -1.07 0.00 0.00 179.97 176.11 2kuq s HIS 140 N -3.18 1.15 -0.18 3.04 -3.43 -1.26 -5.06 115.29 106.37 2kuq s HIS 140 Ca 0.01 -0.94 -0.22 0.00 -0.80 0.00 0.00 55.06 53.11 2kuq s HIS 140 Cb 0.10 -0.64 -0.02 0.00 -1.43 0.00 0.00 32.58 30.58 2kuq s HIS 140 CO 0.75 -0.13 0.70 0.12 -2.00 0.00 0.00 174.74 174.17 2kuq s PHE 141 N -3.58 3.41 -2.27 0.38 5.36 -1.26 -4.98 117.98 115.04 2kuq s PHE 141 Ca 0.19 1.06 0.27 0.00 -0.96 0.00 0.00 56.93 57.49 2kuq s PHE 141 Cb 0.05 -2.86 1.24 0.00 -0.34 0.00 0.00 43.02 41.11 2kuq s PHE 141 CO 0.01 -0.17 1.84 -0.35 -1.46 0.00 0.00 175.22 175.10 2kuq n PRO 142 N 4.97 1.42 -4.61 10.12 -0.04 -1.26 -4.88 135.00 140.72 2kuq n PRO 142 Ca 0.00 -0.62 -0.23 0.00 -0.04 0.00 0.00 63.50 62.61 2kuq n PRO 142 Cb 0.50 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2kuq n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kuq h GLY 144 N 5.37 0.00 -4.37 0.00 0.00 -1.91 -3.40 103.07 98.76 2kuq h GLY 144 Ca -0.37 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.59 2kuq h GLY 144 CO 0.46 0.00 0.51 0.70 0.00 0.00 0.00 176.54 178.21 2kuq n ASN 145 N -3.23 6.18 -4.74 0.19 3.02 -1.26 -4.94 115.26 110.47 2kuq n ASN 145 Ca 0.01 -2.73 -0.41 0.00 -0.03 0.00 0.00 54.58 51.41 2kuq n ASN 145 Cb 0.79 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.55 2kuq n ASN 145 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kuq s VAL 146 N 0.11 3.20 0.18 2.41 1.01 -1.26 -3.78 120.40 122.27 2kuq s VAL 146 Ca 0.64 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.66 2kuq s VAL 146 Cb 0.31 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2kuq s VAL 146 CO -0.07 0.15 -0.06 0.21 0.00 0.00 0.00 175.10 175.32 2kuq s ASN 147 N 0.31 1.79 0.10 3.32 2.47 0.09 -4.99 114.94 118.03 2kuq s ASN 147 Ca 0.56 -1.09 0.09 0.00 0.42 0.00 0.00 52.86 52.85 2kuq s ASN 147 Cb -0.36 0.00 -0.03 0.00 -1.45 0.00 0.00 41.25 39.40 2kuq s ASN 147 CO 0.39 -0.40 -0.23 -0.31 -3.72 0.00 0.00 177.10 172.82 2kuq s TYR 148 N -3.37 2.02 0.00 0.43 2.02 -1.26 -1.33 117.35 115.86 2kuq s TYR 148 Ca 0.21 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2kuq s TYR 148 Cb 0.04 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 2kuq s TYR 148 CO 0.03 0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.65 2kuq n GLY 149 N 1.23 1.10 3.64 0.71 0.00 -0.98 -4.96 105.19 105.94 2kuq n GLY 149 Ca -0.18 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 1.04 2.11 0.07 1.61 2.02 -1.26 -4.98 117.35 117.96 2kuq s TYR 150 Ca 0.00 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.03 2kuq s TYR 150 Cb 0.00 -3.91 0.02 0.00 -0.40 0.00 0.00 41.96 37.67 2kuq s TYR 150 CO 0.00 -3.16 0.30 -0.65 -1.57 0.00 0.00 175.55 170.47 2kuq s GLN 151 N 4.37 0.87 -0.43 -0.62 -1.52 -1.26 -5.00 119.66 116.07 2kuq s GLN 151 Ca 0.71 -0.65 -0.19 0.00 -1.95 0.00 0.00 55.36 53.29 2kuq s GLN 151 Cb -0.28 0.37 0.02 0.00 -0.22 0.00 0.00 33.01 32.91 2kuq s GLN 151 CO 0.28 -0.30 0.52 -0.65 -0.25 0.00 0.00 175.29 174.90 2kuq s GLN 152 N -3.11 3.16 0.00 2.91 -1.52 -1.26 -5.26 119.66 114.58 2kuq s GLN 152 Ca -0.01 -0.63 0.11 0.00 -1.95 0.00 0.00 55.36 52.88 2kuq s GLN 152 Cb 0.01 -3.97 0.65 0.00 -0.22 0.00 0.00 33.01 29.48 2kuq s GLN 152 CO -0.07 -0.93 1.09 0.00 -0.25 0.00 0.00 175.29 175.13