#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 6.50 0.30 1.61 0.15 -1.26 -4.98 113.70 116.03 2kuq s SER 2 Ca 0.00 2.16 0.26 0.00 0.70 0.00 0.00 55.95 59.06 2kuq s SER 2 Cb 0.00 -2.59 0.84 0.00 -1.71 0.00 0.00 66.02 62.56 2kuq s SER 2 CO 0.00 -0.68 1.76 0.28 1.20 0.00 0.00 173.24 175.80 2kuq h SER 3 N 2.30 0.00 -0.36 5.45 0.02 -2.13 -3.47 113.55 115.36 2kuq h SER 3 Ca -0.49 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.31 2kuq h SER 3 Cb 1.23 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 2kuq h SER 3 CO 0.61 0.00 -0.14 0.61 -1.14 0.00 0.00 176.83 176.77 2kuq n GLY 4 N 0.76 0.94 3.77 -3.77 0.00 -1.26 -4.98 105.19 100.65 2kuq n GLY 4 Ca 0.04 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2kuq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 5 N -2.71 6.60 0.16 1.61 0.01 -1.26 -5.04 113.70 113.08 2kuq s SER 5 Ca 0.00 2.81 -0.24 0.00 1.31 0.00 0.00 55.95 59.83 2kuq s SER 5 Cb 0.00 -2.66 0.06 0.00 0.21 0.00 0.00 66.02 63.63 2kuq s SER 5 CO 0.00 -0.67 0.84 -0.94 0.41 0.00 0.00 173.24 172.88 2kuq s SER 6 N -0.38 -0.28 0.03 2.44 1.04 -1.26 -5.20 113.70 110.08 2kuq s SER 6 Ca 0.51 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 56.32 2kuq s SER 6 Cb -0.42 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.34 2kuq s SER 6 CO 0.56 -0.98 0.88 -0.83 0.98 0.00 0.00 173.24 173.86 2kuq s GLY 7 N -2.83 -0.44 0.10 7.32 0.00 -1.26 -5.20 107.32 105.02 2kuq s GLY 7 Ca 0.09 0.85 -0.06 0.00 0.00 0.00 0.00 44.72 45.60 2kuq s GLY 7 CO -0.01 0.28 0.15 1.08 0.00 0.00 0.00 173.10 174.60 2kuq s LEU 8 N -2.57 1.57 0.85 0.66 1.43 -1.26 -5.18 118.68 114.18 2kuq s LEU 8 Ca 0.06 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 2kuq s LEU 8 Cb -0.01 0.83 0.10 0.00 0.03 0.00 0.00 46.19 47.14 2kuq s LEU 8 CO -0.08 -0.74 1.09 0.20 0.23 0.00 0.00 176.35 177.06 2kuq s ASN 9 N -2.92 3.90 -1.22 2.29 0.01 -1.26 -4.94 114.94 110.81 2kuq s ASN 9 Ca 0.10 1.49 -0.19 0.00 -0.71 0.00 0.00 52.86 53.55 2kuq s ASN 9 Cb 0.05 -2.19 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 2kuq s ASN 9 CO -0.07 -2.37 1.92 -1.14 -1.51 0.00 0.00 177.10 173.92 2kuq n ARG 10 N -3.71 2.42 -3.72 -0.60 3.00 -1.26 -4.85 116.66 107.94 2kuq n ARG 10 Ca 0.07 -2.70 -0.14 0.00 -0.00 0.00 0.00 57.85 55.08 2kuq n ARG 10 Cb 0.55 -3.43 -0.09 0.00 0.00 0.00 0.00 32.46 29.49 2kuq n ARG 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kuq s ASP 11 N 4.78 -0.34 0.49 6.15 1.01 -1.26 -5.07 116.67 122.43 2kuq s ASP 11 Ca 0.57 0.43 0.27 0.00 0.71 0.00 0.00 52.55 54.53 2kuq s ASP 11 Cb 0.06 0.53 1.20 0.00 1.01 0.00 0.00 42.92 45.72 2kuq s ASP 11 CO 0.07 -0.37 1.94 0.28 0.21 0.00 0.00 175.17 177.30 2kuq h SER 12 N 4.30 0.00 -3.18 0.27 0.02 -2.05 -3.42 113.55 109.49 2kuq h SER 12 Ca -0.28 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.53 2kuq h SER 12 Cb 1.17 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.44 2kuq h SER 12 CO 0.34 0.15 -0.35 -0.69 -1.14 0.00 0.00 176.83 175.15 2kuq s VAL 13 N -3.83 -0.09 0.39 2.27 1.01 -1.26 -5.17 120.40 113.73 2kuq s VAL 13 Ca -0.01 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 2kuq s VAL 13 Cb 0.11 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 2kuq s VAL 13 CO 0.60 0.05 1.06 -2.16 0.00 0.00 0.00 175.10 174.64 2kuq s PRO 14 N 1.50 4.19 0.00 2.72 0.04 -1.26 -4.95 135.00 137.24 2kuq s PRO 14 Ca -0.09 1.55 0.18 0.00 0.04 0.00 0.00 61.00 62.67 2kuq s PRO 14 Cb -0.09 -2.59 0.99 0.00 0.04 0.00 0.00 34.50 32.85 2kuq s PRO 14 CO -0.12 -0.12 1.48 -0.40 0.04 0.00 0.00 177.00 177.88 2kuq n ASP 15 N 0.02 0.00 -0.14 6.66 5.75 -1.26 -2.87 116.55 124.71 2kuq n ASP 15 Ca 0.05 -0.34 0.06 0.00 -0.01 0.00 0.00 54.79 54.55 2kuq n ASP 15 Cb 0.49 -0.11 0.08 0.00 -1.03 0.00 0.00 41.12 40.56 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 -1.11 1.71 -4.63 -1.12 5.15 -1.26 -5.02 115.26 108.98 2kuq n ASN 16 Ca 0.11 -2.58 -0.47 0.00 -0.60 0.00 0.00 54.58 51.04 2kuq n ASN 16 Cb 0.09 -0.29 -0.04 0.00 -0.53 0.00 0.00 39.78 39.01 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 -0.93 1.84 0.37 1.20 -0.00 -1.14 -4.94 115.22 111.62 2kuq n HIS 17 Ca 0.09 0.50 0.12 0.00 0.46 0.00 0.00 57.72 58.90 2kuq n HIS 17 Cb 0.58 -2.40 0.23 0.00 -0.12 0.00 0.00 29.99 28.27 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 4.36 0.00 0.00 1.57 0.13 -1.98 -3.41 132.00 132.67 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kuq h PRO 18 CO 0.77 0.00 -0.31 0.25 -0.23 0.00 0.00 178.00 178.48 2kuq n THR 19 N -2.71 0.00 -3.56 1.56 -2.24 -1.26 -5.04 114.28 101.03 2kuq n THR 19 Ca 0.04 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 2kuq n THR 19 Cb 0.49 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.20 3.89 -0.04 -0.78 2.20 -1.26 -3.80 119.74 118.75 2kuq s LYS 20 Ca 0.00 0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.88 2kuq s LYS 20 Cb 0.00 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2kuq s LYS 20 CO 0.00 0.63 0.07 -0.06 -0.36 0.00 0.00 175.35 175.63 2kuq s PHE 21 N -0.82 0.01 0.16 4.03 0.08 -0.44 -4.66 117.98 116.34 2kuq s PHE 21 Ca 0.22 0.28 -0.32 0.00 0.12 0.00 0.00 56.93 57.23 2kuq s PHE 21 Cb -0.15 -0.37 -0.10 0.00 -0.57 0.00 0.00 43.02 41.82 2kuq s PHE 21 CO 0.11 -0.17 1.59 0.15 -0.10 0.00 0.00 175.22 176.79 2kuq s LYS 22 N 1.86 4.20 0.04 0.44 -0.14 -1.26 -0.62 119.74 124.26 2kuq s LYS 22 Ca 0.01 2.39 -0.00 0.00 -1.36 0.00 0.00 55.97 57.00 2kuq s LYS 22 Cb -0.12 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.83 2kuq s LYS 22 CO -0.03 -0.63 -0.04 0.14 -0.76 0.00 0.00 175.35 174.03 2kuq s VAL 23 N 1.23 0.26 -0.11 3.17 -7.23 -0.09 -4.75 120.40 112.87 2kuq s VAL 23 Ca 0.71 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 59.41 2kuq s VAL 23 Cb -0.44 -1.02 0.04 0.00 0.56 0.00 0.00 36.38 35.52 2kuq s VAL 23 CO 0.31 -0.76 0.02 -0.89 -0.31 0.00 0.00 175.10 173.47 2kuq s THR 24 N -2.81 0.38 0.37 5.32 2.01 -0.94 -1.25 115.64 118.72 2kuq s THR 24 Ca -0.02 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 2kuq s THR 24 Cb -0.00 -0.67 -0.10 0.00 0.01 0.00 0.00 72.50 71.74 2kuq s THR 24 CO -0.05 0.10 1.33 0.21 -0.69 0.00 0.00 174.62 175.51 2kuq s ASN 25 N 1.95 6.54 0.09 3.53 3.04 -0.36 -0.79 114.94 128.94 2kuq s ASN 25 Ca 0.03 2.72 0.03 0.00 0.04 0.00 0.00 52.86 55.68 2kuq s ASN 25 Cb -0.14 -2.65 -0.04 0.00 -1.54 0.00 0.00 41.25 36.89 2kuq s ASN 25 CO -0.06 -0.70 -0.09 0.68 -3.04 0.00 0.00 177.10 173.90 2kuq s VAL 26 N -1.18 0.82 0.30 -5.21 -7.23 -0.62 -1.34 120.40 105.94 2kuq s VAL 26 Ca 0.52 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2kuq s VAL 26 Cb -0.40 -1.41 0.06 0.00 0.56 0.00 0.00 36.38 35.20 2kuq s VAL 26 CO 0.53 -0.66 0.41 -0.90 -0.31 0.00 0.00 175.10 174.17 2kuq n ASP 27 N 0.42 0.43 0.00 4.85 5.75 -1.21 -4.63 116.55 122.16 2kuq n ASP 27 Ca -0.15 -1.39 0.02 0.00 -0.01 0.00 0.00 54.79 53.26 2kuq n ASP 27 Cb 0.59 -0.27 0.12 0.00 -1.03 0.00 0.00 41.12 40.52 2kuq n ASP 27 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2kuq n ASP 28 N -3.03 0.00 -0.32 -1.12 8.00 -1.26 -1.71 116.55 117.11 2kuq n ASP 28 Ca 0.06 0.36 0.04 0.00 0.71 0.00 0.00 54.79 55.96 2kuq n ASP 28 Cb 0.23 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.97 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kuq n GLU 29 N -1.40 0.72 -1.06 -1.24 1.02 -1.26 -5.01 120.64 112.42 2kuq n GLU 29 Ca 0.02 -1.16 -0.02 0.00 -0.02 0.00 0.00 57.16 55.98 2kuq n GLU 29 Cb 0.05 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kuq n GLY 30 N 0.35 0.54 3.72 0.62 0.00 -0.70 -5.02 105.19 104.70 2kuq n GLY 30 Ca 0.05 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.06 1.61 1.01 -1.26 -4.80 120.40 119.17 2kuq s VAL 31 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 2kuq s VAL 31 Cb 0.00 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 2kuq s VAL 31 CO 0.00 0.20 1.66 -1.61 0.00 0.00 0.00 175.10 175.35 2kuq s GLU 32 N 0.54 4.17 -0.15 2.72 2.02 -1.26 -3.34 118.70 123.39 2kuq s GLU 32 Ca 0.53 2.19 -0.10 0.00 0.02 0.00 0.00 54.97 57.60 2kuq s GLU 32 Cb -0.26 -3.99 -0.07 0.00 0.10 0.00 0.00 34.13 29.91 2kuq s GLU 32 CO 0.30 -0.86 -0.23 1.28 0.02 0.00 0.00 175.26 175.76 2kuq n LEU 33 N 7.19 1.42 -3.73 1.80 4.77 -0.45 -4.93 117.00 123.07 2kuq n LEU 33 Ca 0.17 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.27 2kuq n LEU 33 Cb 0.43 -0.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 2kuq n LEU 33 CO 0.63 0.10 -0.01 -0.83 -1.33 0.00 0.00 177.39 175.94 2kuq s GLY 34 N -5.08 -0.25 0.06 -0.72 0.00 -1.25 -2.44 107.32 97.64 2kuq s GLY 34 Ca -0.23 1.14 -0.08 0.00 0.00 0.00 0.00 44.72 45.54 2kuq s GLY 34 CO 0.31 1.18 0.34 -1.35 0.00 0.00 0.00 173.10 173.58 2kuq s SER 35 N 0.81 6.56 0.27 1.64 1.04 -0.77 -1.23 113.70 122.03 2kuq s SER 35 Ca -0.05 0.66 -0.20 0.00 0.48 0.00 0.00 55.95 56.84 2kuq s SER 35 Cb -0.06 -2.13 0.05 0.00 0.10 0.00 0.00 66.02 63.98 2kuq s SER 35 CO -0.06 0.19 0.84 -0.83 0.98 0.00 0.00 173.24 174.36 2kuq s GLY 36 N -1.82 0.04 -0.29 7.32 0.00 -0.38 -4.15 107.32 108.04 2kuq s GLY 36 Ca 0.32 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.62 2kuq s GLY 36 CO 0.18 0.20 0.06 0.14 0.00 0.00 0.00 173.10 173.69 2kuq s VAL 37 N -3.06 3.80 0.22 1.40 1.01 0.51 -0.91 120.40 123.36 2kuq s VAL 37 Ca 0.14 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 2kuq s VAL 37 Cb -0.04 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 2kuq s VAL 37 CO 0.07 0.08 0.75 -0.32 0.00 0.00 0.00 175.10 175.69 2kuq s MET 38 N 1.47 4.34 -0.06 2.72 1.75 0.20 -1.08 119.30 128.64 2kuq s MET 38 Ca 0.02 0.97 -0.03 0.00 -1.25 0.00 0.00 55.69 55.40 2kuq s MET 38 Cb -0.17 -2.95 0.04 0.00 2.84 0.00 0.00 34.83 34.59 2kuq s MET 38 CO 0.01 0.42 0.14 -2.00 -0.65 0.00 0.00 175.02 172.94 2kuq s GLU 39 N -1.81 0.08 -0.11 4.11 2.12 0.00 -1.33 118.70 121.76 2kuq s GLU 39 Ca 0.42 0.36 0.01 0.00 0.36 0.00 0.00 54.97 56.13 2kuq s GLU 39 Cb -0.18 -0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.01 2kuq s GLU 39 CO 0.22 -0.17 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.11 2kuq s LEU 40 N 1.18 2.58 0.34 2.70 1.02 -1.25 -0.25 118.68 125.01 2kuq s LEU 40 Ca -0.09 -0.36 0.09 0.00 0.02 0.00 0.00 54.13 53.79 2kuq s LEU 40 Cb -0.12 -1.56 -0.07 0.00 0.02 0.00 0.00 46.19 44.47 2kuq s LEU 40 CO -0.06 0.19 -0.08 0.42 0.02 0.00 0.00 176.35 176.84 2kuq s THR 41 N 0.20 2.15 -1.35 5.49 -4.23 -0.80 -5.01 115.64 112.08 2kuq s THR 41 Ca -0.09 -2.17 0.14 0.00 -1.18 0.00 0.00 61.69 58.39 2kuq s THR 41 Cb -0.16 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 71.25 2kuq s THR 41 CO 0.06 -0.19 1.40 1.67 -0.54 0.00 0.00 174.62 177.02 2kuq n GLN 42 N -0.79 0.17 -0.11 3.99 7.27 -1.26 -3.14 117.38 123.51 2kuq n GLN 42 Ca -0.05 0.17 -0.16 0.00 0.07 0.00 0.00 57.00 57.03 2kuq n GLN 42 Cb 0.64 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.66 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2kuq n SER 43 N -1.32 1.44 -3.62 1.69 7.64 -1.26 -4.99 113.62 113.20 2kuq n SER 43 Ca 0.06 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2kuq n SER 43 Cb 0.12 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.52 0.43 0.13 1.43 -1.05 -1.19 -4.26 118.70 111.68 2kuq s GLU 44 Ca -0.27 -0.23 -0.28 0.00 -0.15 0.00 0.00 54.97 54.04 2kuq s GLU 44 Cb 0.08 0.15 -0.07 0.00 -0.44 0.00 0.00 34.13 33.86 2kuq s GLU 44 CO 0.68 -0.20 0.89 -1.17 0.95 0.00 0.00 175.26 176.41 2kuq s LEU 45 N -2.85 4.53 0.07 1.83 0.20 -0.65 -1.90 118.68 119.91 2kuq s LEU 45 Ca 0.13 1.73 0.05 0.00 0.69 0.00 0.00 54.13 56.73 2kuq s LEU 45 Cb 0.04 -3.48 -0.03 0.00 -0.43 0.00 0.00 46.19 42.29 2kuq s LEU 45 CO -0.04 0.04 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.24 2kuq s VAL 46 N -0.42 1.06 -0.16 1.68 1.01 0.65 -1.09 120.40 123.13 2kuq s VAL 46 Ca 0.42 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 2kuq s VAL 46 Cb -0.23 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 35.19 2kuq s VAL 46 CO 0.28 -0.23 0.35 -0.22 0.00 0.00 0.00 175.10 175.28 2kuq s LEU 47 N -1.70 -0.22 -0.20 3.92 0.20 0.06 -0.82 118.68 119.92 2kuq s LEU 47 Ca -0.03 0.79 -0.04 0.00 0.69 0.00 0.00 54.13 55.54 2kuq s LEU 47 Cb -0.10 1.09 -0.02 0.00 -0.43 0.00 0.00 46.19 46.73 2kuq s LEU 47 CO 0.02 -0.21 -0.03 -1.00 -0.29 0.00 0.00 176.35 174.84 2kuq s HIS 48 N 1.98 2.98 0.26 5.38 3.76 -0.24 -0.71 115.29 128.69 2kuq s HIS 48 Ca -0.05 -0.71 0.05 0.00 -0.15 0.00 0.00 55.06 54.20 2kuq s HIS 48 Cb -0.11 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 2kuq s HIS 48 CO -0.11 -0.39 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.87 2kuq s LEU 49 N 1.17 2.28 -0.10 0.89 1.02 -1.26 -0.37 118.68 122.31 2kuq s LEU 49 Ca 0.02 -1.23 -0.02 0.00 0.02 0.00 0.00 54.13 52.93 2kuq s LEU 49 Cb -0.14 -0.40 -0.25 0.00 0.02 0.00 0.00 46.19 45.41 2kuq s LEU 49 CO -0.00 -0.47 0.44 1.41 0.02 0.00 0.00 176.35 177.75 2kuq n HIS 50 N -0.50 1.19 0.06 0.29 8.25 -1.26 -4.36 115.22 118.89 2kuq n HIS 50 Ca -0.05 0.29 -0.15 0.00 -0.26 0.00 0.00 57.72 57.55 2kuq n HIS 50 Cb 0.64 -1.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.44 2kuq n HIS 50 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2kuq h ARG 51 N 0.05 0.21 -6.20 -0.41 2.43 -1.92 -3.48 114.38 105.06 2kuq h ARG 51 Ca -0.39 -0.36 -0.49 0.00 -0.81 0.00 0.00 59.98 57.92 2kuq h ARG 51 Cb 2.03 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 31.68 2kuq h ARG 51 CO 0.09 1.06 -0.48 1.03 -1.51 0.00 0.00 179.97 180.16 2kuq s ARG 52 N -2.62 2.89 0.93 0.20 0.52 -1.26 -5.13 118.95 114.48 2kuq s ARG 52 Ca -0.08 -1.12 -0.11 0.00 -0.52 0.00 0.00 55.73 53.89 2kuq s ARG 52 Cb 0.07 -2.57 0.15 0.00 0.52 0.00 0.00 34.95 33.13 2kuq s ARG 52 CO 0.85 0.26 1.10 -1.21 0.02 0.00 0.00 175.30 176.32 2kuq s GLU 53 N -3.93 0.91 0.31 3.54 8.01 -1.26 -4.42 118.70 121.86 2kuq s GLU 53 Ca 0.37 1.12 -0.29 0.00 0.01 0.00 0.00 54.97 56.17 2kuq s GLU 53 Cb -0.07 -1.75 -0.10 0.00 -4.31 0.00 0.00 34.13 27.90 2kuq s GLU 53 CO 0.26 -2.56 1.35 0.00 0.01 0.00 0.00 175.26 174.32 2kuq s ALA 54 N -2.75 3.53 -0.07 5.21 0.00 -1.26 -4.54 121.76 121.89 2kuq s ALA 54 Ca 0.65 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.95 2kuq s ALA 54 Cb -0.21 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.40 2kuq s ALA 54 CO 0.59 -0.69 -0.21 0.08 0.00 0.00 0.00 175.76 175.52 2kuq s VAL 55 N -0.82 1.78 -0.00 0.00 1.01 0.12 -4.98 120.40 117.50 2kuq s VAL 55 Ca 0.52 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2kuq s VAL 55 Cb -0.41 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2kuq s VAL 55 CO 0.51 0.50 -0.17 -0.13 0.00 0.00 0.00 175.10 175.81 2kuq s ARG 56 N 0.12 1.30 -0.15 2.72 0.52 -1.26 -0.76 118.95 121.44 2kuq s ARG 56 Ca -0.09 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.46 2kuq s ARG 56 Cb -0.14 -1.28 0.05 0.00 0.52 0.00 0.00 34.95 34.09 2kuq s ARG 56 CO 0.05 0.35 0.01 -1.58 0.02 0.00 0.00 175.30 174.14 2kuq s TRP 57 N -0.47 1.06 0.40 -0.53 0.51 -0.25 -4.32 118.94 115.33 2kuq s TRP 57 Ca 0.06 -0.71 -0.26 0.00 -2.12 0.00 0.00 56.10 53.08 2kuq s TRP 57 Cb -0.07 -1.02 -0.09 0.00 -0.81 0.00 0.00 33.47 31.49 2kuq s TRP 57 CO -0.00 -0.53 1.21 -1.25 -0.51 0.00 0.00 176.95 175.86 2kuq s PRO 58 N 1.85 4.04 0.59 4.98 0.04 -1.26 -1.63 135.00 143.60 2kuq s PRO 58 Ca 0.01 1.94 0.37 0.00 0.04 0.00 0.00 61.00 63.36 2kuq s PRO 58 Cb -0.15 -2.72 1.70 0.00 0.04 0.00 0.00 34.50 33.37 2kuq s PRO 58 CO -0.07 -0.36 2.11 1.88 0.04 0.00 0.00 177.00 180.60 2kuq h TYR 59 N 2.68 0.00 0.00 0.56 0.05 -1.94 -0.96 116.97 117.36 2kuq h TYR 59 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kuq h TYR 59 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 2kuq h TYR 59 CO 0.55 0.00 0.00 1.37 -1.05 0.00 0.00 178.16 179.03 2kuq h LEU 60 N 0.00 0.00 -0.10 3.88 -0.00 -1.91 -2.99 115.31 114.19 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 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2kuq h LEU 60 CO 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 178.44 177.91 2kuq s LEU 62 N -2.91 3.96 0.44 0.00 1.43 -1.13 -1.24 118.68 119.23 2kuq s LEU 62 Ca 0.13 -1.51 0.19 0.00 -1.03 0.00 0.00 54.13 51.91 2kuq s LEU 62 Cb 0.18 -2.51 1.04 0.00 0.03 0.00 0.00 46.19 44.93 2kuq s LEU 62 CO 0.69 -1.41 1.94 0.03 0.23 0.00 0.00 176.35 177.83 2kuq h ARG 63 N 9.54 0.00 -1.93 1.70 2.47 -1.80 -3.42 114.38 120.93 2kuq h ARG 63 Ca 0.12 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.95 2kuq h ARG 63 Cb 1.02 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.15 2kuq h ARG 63 CO 1.31 0.24 0.53 -0.98 0.56 0.00 0.00 179.97 181.64 2kuq s ARG 64 N -4.21 0.70 0.07 0.04 1.70 -1.26 -4.73 118.95 111.26 2kuq s ARG 64 Ca -0.03 -0.10 -0.17 0.00 -0.47 0.00 0.00 55.73 54.97 2kuq s ARG 64 Cb 0.14 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.87 2kuq s ARG 64 CO 0.66 -0.27 0.39 1.52 -1.08 0.00 0.00 175.30 176.52 2kuq s TYR 65 N -2.24 -0.21 0.15 5.89 -0.85 -1.00 -1.05 117.35 118.03 2kuq s TYR 65 Ca 0.02 0.06 -0.24 0.00 -0.52 0.00 0.00 57.07 56.39 2kuq s TYR 65 Cb -0.01 0.21 0.08 0.00 0.38 0.00 0.00 41.96 42.62 2kuq s TYR 65 CO -0.04 -0.61 1.06 0.20 -1.52 0.00 0.00 175.55 174.64 2kuq s GLY 66 N -2.32 -0.01 0.05 5.49 0.00 -0.06 -0.84 107.32 109.63 2kuq s GLY 66 Ca -0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 44.72 44.41 2kuq s GLY 66 CO -0.06 1.98 0.32 -2.52 0.00 0.00 0.00 173.10 172.82 2kuq s TYR 67 N -2.40 -0.13 0.11 1.90 1.13 -1.23 -1.42 117.35 115.30 2kuq s TYR 67 Ca 0.20 -0.01 0.02 0.00 -1.41 0.00 0.00 57.07 55.88 2kuq s TYR 67 Cb -0.02 0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.95 2kuq s TYR 67 CO 0.04 -0.53 0.09 -3.47 -2.51 0.00 0.00 175.55 169.17 2kuq n ASP 68 N 0.51 -0.19 -4.58 -0.18 -0.08 0.58 -3.07 116.55 109.56 2kuq n ASP 68 Ca -0.18 -1.70 -0.40 0.00 -1.51 0.00 0.00 54.79 51.00 2kuq n ASP 68 Cb 0.60 0.53 -0.03 0.00 2.34 0.00 0.00 41.12 44.56 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 -2.56 2.80 -1.89 1.67 3.41 -1.26 -2.12 113.62 113.67 2kuq n SER 69 Ca 0.02 -0.14 -0.21 0.00 -0.26 0.00 0.00 58.87 58.28 2kuq n SER 69 Cb 0.19 -1.57 -0.06 0.00 -0.26 0.00 0.00 64.21 62.51 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 13.76 -5.67 -3.90 4.04 3.02 -1.26 -4.99 115.26 120.25 2kuq n ASN 70 Ca 0.33 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 55.05 2kuq n ASN 70 Cb 0.49 -4.89 -0.15 0.00 -0.61 0.00 0.00 39.78 34.62 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 -5.22 1.67 -0.05 3.41 2.96 -0.90 -1.04 118.68 119.50 2kuq s LEU 71 Ca 0.00 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2kuq s LEU 71 Cb 0.00 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.44 2kuq s LEU 71 CO 0.00 -0.01 -0.14 0.12 -1.32 0.00 0.00 176.35 175.00 2kuq s PHE 72 N 0.37 1.53 0.02 5.38 5.36 -0.21 -0.30 117.98 130.12 2kuq s PHE 72 Ca -0.04 -0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 55.38 2kuq s PHE 72 Cb -0.07 -1.08 -0.01 0.00 -0.34 0.00 0.00 43.02 41.52 2kuq s PHE 72 CO -0.01 -0.22 0.07 0.45 -1.46 0.00 0.00 175.22 174.05 2kuq s SER 73 N 0.38 0.14 0.03 6.13 0.15 -0.51 -1.10 113.70 118.93 2kuq s SER 73 Ca -0.10 -0.39 -0.14 0.00 0.70 0.00 0.00 55.95 56.02 2kuq s SER 73 Cb -0.14 0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 2kuq s SER 73 CO 0.03 -0.39 0.30 0.72 1.20 0.00 0.00 173.24 175.11 2kuq s PHE 74 N -1.74 -0.11 -0.21 3.44 -0.12 -0.83 -0.89 117.98 117.52 2kuq s PHE 74 Ca -0.13 0.02 -0.05 0.00 -0.05 0.00 0.00 56.93 56.73 2kuq s PHE 74 Cb -0.07 0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2kuq s PHE 74 CO -0.01 -0.48 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.67 2kuq s GLU 75 N -2.29 3.53 -0.08 1.99 2.12 -0.22 -1.57 118.70 122.18 2kuq s GLU 75 Ca -0.07 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.71 2kuq s GLU 75 Cb -0.02 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 2kuq s GLU 75 CO -0.02 -0.07 -0.10 -1.12 -0.54 0.00 0.00 175.26 173.42 2kuq s SER 76 N 1.18 4.38 1.07 -1.70 0.01 -0.11 -2.57 113.70 115.96 2kuq s SER 76 Ca 0.03 -0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.02 2kuq s SER 76 Cb -0.15 -1.16 0.20 0.00 0.21 0.00 0.00 66.02 65.13 2kuq s SER 76 CO 0.00 0.32 1.00 0.61 0.41 0.00 0.00 173.24 175.59 2kuq n GLY 77 N 2.50 -1.85 1.17 3.44 0.00 -0.37 -1.78 105.19 108.29 2kuq n GLY 77 Ca -0.18 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2kuq n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kuq n ARG 78 N -3.55 0.95 -2.09 1.61 1.85 -1.26 -3.38 116.66 110.79 2kuq n ARG 78 Ca 0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.91 2kuq n ARG 78 Cb 0.46 -1.03 0.06 0.00 -1.05 0.00 0.00 32.46 30.90 2kuq n ARG 78 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kuq n ARG 79 N 0.84 2.15 -4.36 2.89 1.74 -1.26 -4.85 116.66 113.81 2kuq n ARG 79 Ca 0.00 -3.51 -0.18 0.00 -0.77 0.00 0.00 57.85 53.38 2kuq n ARG 79 Cb 0.47 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h GLN 81 N 2.33 0.00 0.00 0.00 4.20 -1.97 -3.11 115.11 116.56 2kuq h GLN 81 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2kuq h GLN 81 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2kuq h GLN 81 CO 0.65 0.06 -1.03 0.25 -0.67 0.00 0.00 178.83 178.09 2kuq n THR 82 N -4.24 0.00 -4.15 -0.54 -2.24 -1.26 -5.11 114.28 96.74 2kuq n THR 82 Ca -0.03 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2kuq n THR 82 Cb 0.14 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.47 -1.53 3.73 3.38 0.00 -1.18 -4.90 105.19 106.16 2kuq n GLY 83 Ca 0.03 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 4.72 0.00 1.61 0.74 -1.22 -4.66 119.66 120.86 2kuq s GLN 84 Ca 0.00 1.49 0.00 0.00 0.05 0.00 0.00 55.36 56.90 2kuq s GLN 84 Cb 0.00 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.76 2kuq s GLN 84 CO 0.00 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 2kuq n GLY 85 N 2.07 -1.86 3.26 2.59 0.00 -0.73 -4.99 105.19 105.53 2kuq n GLY 85 Ca 0.01 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.16 2.67 -0.11 -0.61 1.01 -1.26 -0.93 121.20 119.81 2kuq s ILE 86 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2kuq s ILE 86 Cb 0.00 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2kuq s ILE 86 CO 0.00 0.51 -0.23 -0.36 0.00 0.00 0.00 174.94 174.86 2kuq s PHE 87 N 0.88 2.59 0.01 3.97 0.08 -0.61 -1.10 117.98 123.80 2kuq s PHE 87 Ca -0.04 -1.07 0.02 0.00 0.12 0.00 0.00 56.93 55.97 2kuq s PHE 87 Cb -0.15 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2kuq s PHE 87 CO -0.01 -0.43 -0.08 0.00 -0.10 0.00 0.00 175.22 174.60 2kuq s ALA 88 N 0.41 0.64 -0.01 5.36 0.00 -1.26 -1.97 121.76 124.93 2kuq s ALA 88 Ca -0.17 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2kuq s ALA 88 Cb -0.18 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2kuq s ALA 88 CO 0.07 0.12 -0.00 -0.06 0.00 0.00 0.00 175.76 175.89 2kuq s PHE 89 N -0.46 0.14 0.05 0.00 0.40 -0.26 -1.59 117.98 116.26 2kuq s PHE 89 Ca 0.00 0.01 -0.26 0.00 -0.60 0.00 0.00 56.93 56.08 2kuq s PHE 89 Cb -0.05 -0.16 -0.05 0.00 0.51 0.00 0.00 43.02 43.26 2kuq s PHE 89 CO 0.00 -0.04 0.79 0.15 0.70 0.00 0.00 175.22 176.82 2kuq s LYS 90 N 0.34 4.52 -0.29 0.44 1.02 0.03 -1.04 119.74 124.75 2kuq s LYS 90 Ca -0.03 1.12 -0.17 0.00 0.02 0.00 0.00 55.97 56.91 2kuq s LYS 90 Cb -0.05 -3.37 0.18 0.00 -0.52 0.00 0.00 37.83 34.08 2kuq s LYS 90 CO -0.01 0.27 1.16 0.00 -0.92 0.00 0.00 175.35 175.85 2kuq h SER 92 N 5.25 0.00 0.00 0.00 0.87 -1.89 -2.48 113.55 115.30 2kuq h SER 92 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2kuq h SER 92 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2kuq h SER 92 CO 0.21 0.03 0.00 0.54 -0.53 0.00 0.00 176.83 177.08 2kuq n ARG 93 N -3.87 0.97 -0.34 2.24 5.12 -1.26 -4.39 116.66 115.12 2kuq n ARG 93 Ca -0.03 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.04 2kuq n ARG 93 Cb 0.11 -1.23 0.36 0.00 -1.16 0.00 0.00 32.46 30.55 2kuq n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kuq h ALA 94 N 3.40 1.77 -0.79 7.54 0.00 -1.76 0.06 119.26 129.48 2kuq h ALA 94 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kuq h ALA 94 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2kuq h ALA 94 CO 0.00 -0.17 0.30 1.49 0.00 0.00 0.00 179.25 180.87 2kuq h GLU 95 N 0.67 1.19 -0.02 0.00 4.81 -1.87 -1.36 114.58 118.01 2kuq h GLU 95 Ca 0.59 -0.22 -0.23 0.00 -0.13 0.00 0.00 59.36 59.37 2kuq h GLU 95 Cb 1.05 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2kuq h GLU 95 CO -0.39 0.97 -0.92 0.93 -0.73 0.00 0.00 179.01 178.87 2kuq h GLU 96 N 1.16 0.46 -0.35 1.92 5.08 -1.36 -1.38 114.58 120.11 2kuq h GLU 96 Ca 0.26 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2kuq h GLU 96 Cb 0.24 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kuq h GLU 96 CO -0.02 1.12 0.17 0.82 -1.00 0.00 0.00 179.01 180.11 2kuq h ILE 97 N 0.27 1.16 -0.32 3.13 2.04 -1.20 -0.67 117.51 121.91 2kuq h ILE 97 Ca -0.08 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2kuq h ILE 97 Cb 1.55 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 2kuq h ILE 97 CO 0.16 0.17 0.20 0.15 0.00 0.00 0.00 178.15 178.83 2kuq h PHE 98 N 0.43 0.43 -0.72 1.37 3.57 -1.20 0.32 116.94 121.14 2kuq h PHE 98 Ca 0.12 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2kuq h PHE 98 Cb 0.11 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2kuq h PHE 98 CO -0.02 0.31 0.37 -0.91 -2.23 0.00 0.00 178.31 175.83 2kuq h ASN 99 N 0.42 0.91 -0.41 0.41 2.35 -1.16 -1.94 115.58 116.15 2kuq h ASN 99 Ca 0.12 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2kuq h ASN 99 Cb 0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2kuq h ASN 99 CO -0.02 0.77 -0.03 0.25 -1.65 0.00 0.00 177.43 176.74 2kuq h LEU 100 N 0.99 0.74 0.23 1.61 5.85 -0.93 -2.61 115.31 121.20 2kuq h LEU 100 Ca 0.25 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2kuq h LEU 100 Cb 0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2kuq h LEU 100 CO -0.04 0.89 -0.25 0.25 -0.34 0.00 0.00 178.44 178.95 2kuq h LEU 101 N 0.58 -0.68 -1.57 2.25 5.85 -0.76 -1.73 115.31 119.25 2kuq h LEU 101 Ca 0.11 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2kuq h LEU 101 Cb 0.53 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2kuq h LEU 101 CO 0.03 -0.36 -0.22 0.06 -0.34 0.00 0.00 178.44 177.60 2kuq h GLN 102 N -0.53 0.00 -0.23 1.25 3.07 -1.38 -1.78 115.11 115.51 2kuq h GLN 102 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2kuq h GLN 102 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 2kuq h GLN 102 CO -0.07 0.22 -0.01 0.22 0.09 0.00 0.00 178.83 179.28 2kuq h ASP 103 N 0.00 0.41 0.88 0.06 3.58 -1.20 -2.44 116.42 117.71 2kuq h ASP 103 Ca -0.00 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2kuq h ASP 103 Cb 0.40 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2kuq h ASP 103 CO 0.03 0.63 0.00 0.18 -2.88 0.00 0.00 179.24 177.20 2kuq n LEU 104 N -4.64 0.22 0.04 2.28 4.77 -0.67 -1.42 117.00 117.58 2kuq n LEU 104 Ca -0.04 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 2kuq n LEU 104 Cb 0.25 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 2kuq n LEU 104 CO 0.38 -0.19 -0.10 0.23 -1.33 0.00 0.00 177.39 176.38 2kuq n MET 105 N -1.73 0.44 -0.05 3.23 2.81 -0.71 -4.40 117.12 116.72 2kuq n MET 105 Ca 0.05 0.01 0.01 0.00 -1.81 0.00 0.00 57.70 55.96 2kuq n MET 105 Cb 0.29 -1.65 -0.16 0.00 -0.71 0.00 0.00 33.22 30.98 2kuq n MET 105 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kuq n GLN 106 N -2.22 0.67 -2.40 0.03 10.64 -0.93 -4.74 117.38 118.43 2kuq n GLN 106 Ca 0.00 -0.09 -0.24 0.00 -1.83 0.00 0.00 57.00 54.84 2kuq n GLN 106 Cb 0.49 -1.53 0.09 0.00 -0.86 0.00 0.00 30.24 28.42 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 -2.84 -0.03 -3.53 0.00 0.23 -1.26 -4.96 115.26 102.88 2kuq n ASN 108 Ca 0.11 -1.24 -0.11 0.00 -0.53 0.00 0.00 54.58 52.81 2kuq n ASN 108 Cb 0.60 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 38.25 2kuq n ASN 108 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2kuq s SER 109 N -0.25 -0.47 -0.37 0.53 0.15 -1.26 -5.14 113.70 106.89 2kuq s SER 109 Ca 0.00 -0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.23 2kuq s SER 109 Cb 0.00 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2kuq s SER 109 CO -0.00 -1.02 1.00 -0.63 1.20 0.00 0.00 173.24 173.78 2kuq s ILE 110 N -3.79 4.51 0.39 6.45 1.01 -1.26 -5.03 121.20 123.47 2kuq s ILE 110 Ca 0.03 1.34 0.08 0.00 0.00 0.00 0.00 60.65 62.09 2kuq s ILE 110 Cb -0.01 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2kuq s ILE 110 CO -0.09 -0.60 0.26 0.54 0.00 0.00 0.00 174.94 175.05 2kuq s ASN 111 N 1.91 4.81 -0.05 3.58 4.22 -1.26 -5.17 114.94 122.99 2kuq s ASN 111 Ca 0.41 -0.82 -0.07 0.00 -2.14 0.00 0.00 52.86 50.24 2kuq s ASN 111 Cb -0.11 -0.63 0.02 0.00 1.28 0.00 0.00 41.25 41.80 2kuq s ASN 111 CO 0.20 -0.50 0.19 0.54 -2.04 0.00 0.00 177.10 175.49 2kuq s VAL 112 N -2.48 0.02 0.28 3.54 0.11 -1.26 -5.18 120.40 115.44 2kuq s VAL 112 Ca 0.43 -0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.23 2kuq s VAL 112 Cb -0.01 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2kuq s VAL 112 CO 0.25 -0.11 0.39 0.00 -3.33 0.00 0.00 175.10 172.29 2kuq s MET 113 N -0.35 1.64 -0.04 1.54 0.23 -1.26 -5.18 119.30 115.88 2kuq s MET 113 Ca -0.04 -1.60 0.02 0.00 -1.03 0.00 0.00 55.69 53.04 2kuq s MET 113 Cb -0.03 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.68 2kuq s MET 113 CO 0.01 -0.65 -0.09 -2.00 -2.03 0.00 0.00 175.02 170.26 2kuq s GLU 114 N -3.61 1.09 0.07 3.16 2.12 -1.26 -5.16 118.70 115.10 2kuq s GLU 114 Ca 0.31 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.37 2kuq s GLU 114 Cb 0.01 -0.99 -0.03 0.00 0.26 0.00 0.00 34.13 33.38 2kuq s GLU 114 CO 0.16 0.06 -0.08 -1.21 -0.54 0.00 0.00 175.26 173.64 2kuq s GLU 115 N 0.42 0.68 0.86 4.30 0.41 -1.26 -5.17 118.70 118.94 2kuq s GLU 115 Ca -0.07 -0.98 -0.12 0.00 -0.41 0.00 0.00 54.97 53.39 2kuq s GLU 115 Cb -0.11 -0.36 0.11 0.00 -1.78 0.00 0.00 34.13 31.99 2kuq s GLU 115 CO 0.01 0.05 1.10 -1.25 -0.49 0.00 0.00 175.26 174.68 2kuq s PRO 116 N -2.33 1.56 -0.09 0.39 0.04 -1.26 -5.08 135.00 128.23 2kuq s PRO 116 Ca -0.02 0.67 0.03 0.00 0.04 0.00 0.00 61.00 61.73 2kuq s PRO 116 Cb -0.05 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2kuq s PRO 116 CO -0.01 -2.00 -0.18 0.08 0.04 0.00 0.00 177.00 174.93 2kuq s VAL 117 N -3.07 2.64 -0.10 -0.36 1.01 -1.26 -5.13 120.40 114.13 2kuq s VAL 117 Ca 0.62 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2kuq s VAL 117 Cb -0.16 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2kuq s VAL 117 CO 0.55 0.56 -0.11 -0.63 0.00 0.00 0.00 175.10 175.47 2kuq s ILE 118 N 0.00 1.20 -0.17 2.22 1.09 -1.26 -5.12 121.20 119.16 2kuq s ILE 118 Ca -0.06 -0.45 -0.29 0.00 -1.10 0.00 0.00 60.65 58.75 2kuq s ILE 118 Cb -0.15 -1.14 -0.00 0.00 -1.06 0.00 0.00 42.46 40.11 2kuq s ILE 118 CO 0.05 0.39 1.03 -0.63 -0.10 0.00 0.00 174.94 175.67 2kuq s ILE 119 N 1.21 4.71 0.62 2.92 1.01 -1.26 -4.89 121.20 125.52 2kuq s ILE 119 Ca -0.04 2.02 -0.00 0.00 0.00 0.00 0.00 60.65 62.64 2kuq s ILE 119 Cb -0.14 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 38.09 2kuq s ILE 119 CO -0.03 -0.10 0.86 0.42 0.00 0.00 0.00 174.94 176.09 2kuq s THR 120 N 2.67 2.47 -1.87 2.92 -4.23 -1.26 -5.01 115.64 111.33 2kuq s THR 120 Ca 0.46 -0.61 0.27 0.00 -1.18 0.00 0.00 61.69 60.63 2kuq s THR 120 Cb -0.17 -2.86 0.69 0.00 1.34 0.00 0.00 72.50 71.50 2kuq s THR 120 CO 0.12 0.00 1.93 -1.20 -0.54 0.00 0.00 174.62 174.93 2kuq n SER 121 N -2.54 0.00 0.00 3.99 7.64 -1.26 -5.03 113.62 116.42 2kuq n SER 121 Ca 0.10 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.31 2kuq n SER 121 Cb 0.60 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2kuq n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 122 N 0.72 -1.88 3.55 0.23 0.00 -1.26 -5.12 105.19 101.43 2kuq n GLY 122 Ca 0.18 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 123 N -3.56 -0.42 0.04 1.61 0.01 -1.26 -5.20 113.70 104.92 2kuq s SER 123 Ca 0.00 0.38 -0.27 0.00 1.31 0.00 0.00 55.95 57.37 2kuq s SER 123 Cb 0.00 0.36 0.09 0.00 0.21 0.00 0.00 66.02 66.68 2kuq s SER 123 CO 0.00 -0.45 0.75 -0.94 0.41 0.00 0.00 173.24 173.01 2kuq s SER 124 N -1.39 -0.49 0.00 2.44 1.04 -1.26 -5.17 113.70 108.87 2kuq s SER 124 Ca -0.02 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2kuq s SER 124 Cb -0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2kuq s SER 124 CO 0.01 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2kuq n GLY 125 N -0.06 3.01 3.25 7.32 0.00 -1.26 -5.17 105.19 112.28 2kuq n GLY 125 Ca -0.14 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 2kuq n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 126 N 0.00 -0.04 0.10 1.61 0.01 -1.26 -5.06 113.70 109.06 2kuq s SER 126 Ca 0.00 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.61 2kuq s SER 126 Cb 0.00 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.66 2kuq s SER 126 CO 0.00 -0.76 0.43 -0.94 0.41 0.00 0.00 173.24 172.39 2kuq s SER 127 N -2.73 -0.30 0.00 2.44 1.04 -1.26 -4.95 113.70 107.95 2kuq s SER 127 Ca 0.03 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2kuq s SER 127 Cb 0.03 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2kuq s SER 127 CO -0.10 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2kuq n GLY 128 N 0.04 0.26 3.68 7.32 0.00 -1.02 -1.84 105.19 113.63 2kuq n GLY 128 Ca -0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 2kuq n GLY 128 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kuq n SER 129 N 0.00 3.39 0.00 1.61 7.64 -1.26 -1.74 113.62 123.26 2kuq n SER 129 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2kuq n SER 129 Cb 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 2kuq n SER 129 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kuq n SER 130 N 4.12 0.00 -2.33 6.43 2.88 -1.26 -4.92 113.62 118.54 2kuq n SER 130 Ca 0.18 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.54 2kuq n SER 130 Cb 0.31 -0.87 -0.13 0.00 -0.75 0.00 0.00 64.21 62.77 2kuq n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 131 N -2.00 3.17 0.27 0.46 0.00 -0.71 -4.68 105.19 101.69 2kuq n GLY 131 Ca 0.00 -1.20 0.16 0.00 0.00 0.00 0.00 46.02 44.98 2kuq n GLY 131 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kuq h SER 132 N 3.66 0.00 -0.06 1.61 0.87 -1.91 -3.18 113.55 114.54 2kuq h SER 132 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2kuq h SER 132 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2kuq h SER 132 CO 0.61 0.02 0.00 -1.54 -0.53 0.00 0.00 176.83 175.38 2kuq n SER 133 N -3.11 1.42 0.00 6.23 3.41 -1.26 -5.04 113.62 115.26 2kuq n SER 133 Ca 0.01 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 2kuq n SER 133 Cb 0.35 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kuq n GLY 134 N 1.14 1.22 3.80 5.00 0.00 -1.20 -4.81 105.19 110.33 2kuq n GLY 134 Ca 0.18 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 4.32 0.17 0.99 1.43 -1.26 -4.92 118.68 119.41 2kuq s LEU 135 Ca 0.00 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 2kuq s LEU 135 Cb 0.00 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 2kuq s LEU 135 CO 0.00 0.25 0.93 0.12 0.23 0.00 0.00 176.35 177.89 2kuq s PHE 136 N -0.30 3.90 -0.30 0.29 2.19 -1.26 -5.05 117.98 117.44 2kuq s PHE 136 Ca 0.16 1.83 -0.09 0.00 0.33 0.00 0.00 56.93 59.16 2kuq s PHE 136 Cb -0.13 -3.00 -0.01 0.00 -1.31 0.00 0.00 43.02 38.58 2kuq s PHE 136 CO 0.04 0.34 0.13 1.03 1.83 0.00 0.00 175.22 178.59 2kuq s ARG 137 N -0.60 3.31 0.43 10.12 3.00 -1.26 -4.62 118.95 129.32 2kuq s ARG 137 Ca 0.43 -0.73 -0.23 0.00 0.00 0.00 0.00 55.73 55.20 2kuq s ARG 137 Cb -0.24 -3.49 -0.08 0.00 0.00 0.00 0.00 34.95 31.13 2kuq s ARG 137 CO 0.30 -0.40 1.08 -0.51 0.00 0.00 0.00 175.30 175.77 2kuq s LEU 138 N 1.58 4.06 0.21 2.53 1.43 -0.26 -4.91 118.68 123.33 2kuq s LEU 138 Ca 0.04 2.09 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 2kuq s LEU 138 Cb -0.17 -4.26 0.14 0.00 0.03 0.00 0.00 46.19 41.94 2kuq s LEU 138 CO 0.05 -0.64 1.48 0.03 0.23 0.00 0.00 176.35 177.50 2kuq h ARG 139 N 2.24 0.23 -4.93 1.70 3.08 -1.99 -3.37 114.38 111.35 2kuq h ARG 139 Ca -0.49 -0.19 -0.34 0.00 0.07 0.00 0.00 59.98 59.04 2kuq h ARG 139 Cb 1.22 0.04 -0.21 0.00 0.08 0.00 0.00 29.97 31.10 2kuq h ARG 139 CO 0.61 0.85 -0.75 -1.01 -1.07 0.00 0.00 179.97 178.60 2kuq s HIS 140 N -3.54 0.94 -0.11 3.04 3.76 -1.26 -5.05 115.29 113.06 2kuq s HIS 140 Ca -0.04 -0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 54.08 2kuq s HIS 140 Cb 0.11 -0.54 -0.02 0.00 1.11 0.00 0.00 32.58 33.24 2kuq s HIS 140 CO 0.81 -0.02 1.17 0.12 -0.85 0.00 0.00 174.74 175.97 2kuq s PHE 141 N -1.44 3.18 -0.20 1.40 5.36 -1.26 -4.96 117.98 120.06 2kuq s PHE 141 Ca -0.05 1.25 0.20 0.00 -0.96 0.00 0.00 56.93 57.38 2kuq s PHE 141 Cb -0.09 -3.39 -0.04 0.00 -0.34 0.00 0.00 43.02 39.16 2kuq s PHE 141 CO 0.01 -1.14 0.99 -1.00 -1.46 0.00 0.00 175.22 172.61 2kuq h PRO 142 N 7.57 0.00 -5.78 10.12 0.13 -1.99 -3.47 132.00 138.58 2kuq h PRO 142 Ca -0.30 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 2kuq h PRO 142 Cb 1.14 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 2kuq h PRO 142 CO 0.91 0.11 -0.25 0.00 -0.23 0.00 0.00 178.00 178.53 2kuq h GLY 144 N 5.63 0.59 -5.57 0.00 0.00 -1.92 -3.39 103.07 98.42 2kuq h GLY 144 Ca -0.47 -0.91 -0.71 0.00 0.00 0.00 0.00 47.33 45.24 2kuq h GLY 144 CO 0.67 0.81 3.14 0.70 0.00 0.00 0.00 176.54 181.86 2kuq n ASN 145 N -3.84 6.97 -4.75 0.19 3.02 -1.17 -4.96 115.26 110.72 2kuq n ASN 145 Ca -0.06 -2.83 -0.41 0.00 -0.03 0.00 0.00 54.58 51.24 2kuq n ASN 145 Cb 0.77 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 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 1.46 2.94 0.10 2.41 1.01 -1.26 -3.57 120.40 123.49 2kuq s VAL 146 Ca 0.57 0.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.33 2kuq s VAL 146 Cb 0.16 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2kuq s VAL 146 CO -0.07 0.15 0.09 0.21 0.00 0.00 0.00 175.10 175.48 2kuq s ASN 147 N 0.10 0.29 -0.05 3.32 2.47 -0.02 -4.99 114.94 116.06 2kuq s ASN 147 Ca 0.55 -0.95 0.05 0.00 0.42 0.00 0.00 52.86 52.93 2kuq s ASN 147 Cb -0.39 0.29 -0.00 0.00 -1.45 0.00 0.00 41.25 39.70 2kuq s ASN 147 CO 0.43 -0.71 -0.20 -0.31 -3.72 0.00 0.00 177.10 172.60 2kuq s TYR 148 N -3.95 1.96 0.00 0.43 2.02 -1.26 -2.38 117.35 114.17 2kuq s TYR 148 Ca 0.12 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2kuq s TYR 148 Cb 0.06 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.32 2kuq s TYR 148 CO -0.06 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.14 2kuq n GLY 149 N 3.12 0.07 3.75 0.71 0.00 -1.26 -5.03 105.19 106.54 2kuq n GLY 149 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 0.75 2.98 -2.12 1.61 1.51 -1.26 -4.94 117.35 115.88 2kuq s TYR 150 Ca 0.00 1.03 0.31 0.00 -1.01 0.00 0.00 57.07 57.40 2kuq s TYR 150 Cb 0.00 -3.84 1.64 0.00 -0.11 0.00 0.00 41.96 39.64 2kuq s TYR 150 CO 0.00 -2.72 2.08 0.00 -1.11 0.00 0.00 175.55 173.80 2kuq n GLN 151 N 2.16 1.17 -2.66 -0.62 10.64 -1.26 -4.76 117.38 122.05 2kuq n GLN 151 Ca 0.06 -0.28 -0.43 0.00 -1.83 0.00 0.00 57.00 54.53 2kuq n GLN 151 Cb 0.40 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.26 2kuq n GLN 151 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2kuq s GLN 152 N -2.03 3.57 0.00 2.61 2.00 -1.26 -5.28 119.66 119.27 2kuq s GLN 152 Ca 0.44 0.29 0.00 0.00 -2.00 0.00 0.00 55.36 54.09 2kuq s GLN 152 Cb 0.22 -3.97 0.00 0.00 0.80 0.00 0.00 33.01 30.06 2kuq s GLN 152 CO 0.37 -1.48 0.00 0.00 -0.50 0.00 0.00 175.29 173.67