#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 -0.54 0.17 1.61 0.15 -1.26 -5.20 113.70 108.63 2kuq s SER 2 Ca 0.00 0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 2kuq s SER 2 Cb 0.00 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 2kuq s SER 2 CO 0.00 -0.84 0.94 -0.94 1.20 0.00 0.00 173.24 173.60 2kuq s SER 3 N -2.45 -0.17 0.00 5.45 1.04 -1.26 -5.03 113.70 111.29 2kuq s SER 3 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2kuq s SER 3 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2kuq s SER 3 CO -0.09 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2kuq n GLY 4 N -0.49 1.61 3.64 7.32 0.00 -1.26 -5.13 105.19 110.89 2kuq n GLY 4 Ca -0.06 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.46 -0.67 0.48 1.61 1.04 -1.26 -5.09 113.70 109.35 2kuq s SER 5 Ca 0.00 1.11 -0.13 0.00 0.48 0.00 0.00 55.95 57.41 2kuq s SER 5 Cb 0.00 1.25 -0.07 0.00 0.10 0.00 0.00 66.02 67.31 2kuq s SER 5 CO 0.00 -0.18 0.88 -0.44 0.98 0.00 0.00 173.24 174.49 2kuq s SER 6 N 1.27 6.51 0.00 7.02 0.01 -1.26 -4.97 113.70 122.28 2kuq s SER 6 Ca -0.08 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2kuq s SER 6 Cb -0.04 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2kuq s SER 6 CO -0.15 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2kuq n GLY 7 N -1.62 -1.13 3.19 3.44 0.00 -1.26 -5.04 105.19 102.76 2kuq n GLY 7 Ca 0.04 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 2kuq n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kuq s LEU 8 N 0.00 -0.18 -0.11 0.99 1.98 -1.26 -5.16 118.68 114.94 2kuq s LEU 8 Ca 0.00 0.80 0.01 0.00 -2.89 0.00 0.00 54.13 52.05 2kuq s LEU 8 Cb 0.00 1.13 0.02 0.00 0.66 0.00 0.00 46.19 48.00 2kuq s LEU 8 CO 0.00 -0.21 -0.12 0.20 -1.89 0.00 0.00 176.35 174.33 2kuq s ASN 9 N 1.87 2.25 -1.44 3.68 -0.87 -1.26 -5.06 114.94 114.11 2kuq s ASN 9 Ca -0.06 -0.37 -0.07 0.00 -1.57 0.00 0.00 52.86 50.79 2kuq s ASN 9 Cb -0.10 -0.97 0.04 0.00 -0.02 0.00 0.00 41.25 40.19 2kuq s ASN 9 CO -0.11 -0.03 2.61 0.54 -2.57 0.00 0.00 177.10 177.54 2kuq n ARG 10 N 4.42 4.26 -3.72 -0.60 1.74 -1.26 -4.87 116.66 116.63 2kuq n ARG 10 Ca -0.18 -2.97 -0.14 0.00 -0.77 0.00 0.00 57.85 53.79 2kuq n ARG 10 Cb 0.51 -2.70 -0.14 0.00 -1.02 0.00 0.00 32.46 29.11 2kuq n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kuq s ASP 11 N 1.07 0.03 0.00 0.55 1.11 -1.26 -5.06 116.67 113.11 2kuq s ASP 11 Ca 0.60 0.40 0.23 0.00 0.18 0.00 0.00 52.55 53.96 2kuq s ASP 11 Cb 0.18 0.31 0.07 0.00 1.07 0.00 0.00 42.92 44.55 2kuq s ASP 11 CO -0.08 -0.18 1.11 -0.24 1.18 0.00 0.00 175.17 176.96 2kuq n SER 12 N 4.50 1.14 -4.66 0.27 2.88 -1.26 -4.90 113.62 111.59 2kuq n SER 12 Ca -0.21 -0.96 -0.42 0.00 -1.33 0.00 0.00 58.87 55.95 2kuq n SER 12 Cb 0.52 0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 64.59 2kuq n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kuq s VAL 13 N -2.83 4.81 0.69 2.46 1.01 -1.26 -5.05 120.40 120.23 2kuq s VAL 13 Ca 0.13 1.77 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 2kuq s VAL 13 Cb 0.17 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2kuq s VAL 13 CO 0.73 -0.05 1.07 -2.16 0.00 0.00 0.00 175.10 174.69 2kuq s PRO 14 N 2.54 2.88 0.00 2.72 0.04 -1.26 -4.94 135.00 136.98 2kuq s PRO 14 Ca 0.40 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.59 2kuq s PRO 14 Cb -0.16 -1.98 0.58 0.00 0.04 0.00 0.00 34.50 32.98 2kuq s PRO 14 CO 0.10 -1.15 1.02 -0.40 0.04 0.00 0.00 177.00 176.61 2kuq n ASP 15 N -2.99 0.00 -0.38 6.66 5.68 -1.26 -2.96 116.55 121.29 2kuq n ASP 15 Ca 0.08 -0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 2kuq n ASP 15 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2kuq n ASN 16 N -0.98 0.00 -4.56 -1.12 0.23 -1.26 -5.08 115.26 102.49 2kuq n ASN 16 Ca 0.07 -1.51 -0.49 0.00 -0.53 0.00 0.00 54.58 52.12 2kuq n ASN 16 Cb 0.03 -0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 37.59 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 0.00 1.07 0.36 -2.53 -0.00 -1.16 -4.89 115.22 108.07 2kuq n HIS 17 Ca 0.00 0.74 0.14 0.00 0.46 0.00 0.00 57.72 59.06 2kuq n HIS 17 Cb 0.60 -2.23 0.56 0.00 -0.12 0.00 0.00 29.99 28.80 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 2.99 0.00 0.00 1.57 0.13 -2.00 -3.35 132.00 131.34 2kuq h PRO 18 Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 2kuq h PRO 18 Cb 1.36 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 2kuq h PRO 18 CO 0.68 0.00 -0.28 -2.37 -0.23 0.00 0.00 178.00 175.79 2kuq n THR 19 N -2.54 0.00 -3.56 1.56 5.66 -1.26 -4.99 114.28 109.15 2kuq n THR 19 Ca 0.02 -1.38 -0.02 0.00 -3.05 0.00 0.00 64.05 59.61 2kuq n THR 19 Cb 0.26 0.95 -0.05 0.00 -1.55 0.00 0.00 70.33 69.94 2kuq n THR 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kuq s LYS 20 N 0.18 0.52 -0.07 1.09 2.20 -1.25 -4.34 119.74 118.07 2kuq s LYS 20 Ca 0.19 1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 57.05 2kuq s LYS 20 Cb 0.36 0.68 0.04 0.00 -1.51 0.00 0.00 37.83 37.39 2kuq s LYS 20 CO -0.08 -0.30 0.09 -0.06 -0.36 0.00 0.00 175.35 174.64 2kuq s PHE 21 N 2.83 0.01 0.20 4.03 0.08 -0.58 -4.66 117.98 119.88 2kuq s PHE 21 Ca 0.00 0.29 -0.32 0.00 0.12 0.00 0.00 56.93 57.03 2kuq s PHE 21 Cb -0.13 -0.44 -0.11 0.00 -0.57 0.00 0.00 43.02 41.77 2kuq s PHE 21 CO -0.18 -0.25 1.65 0.15 -0.10 0.00 0.00 175.22 176.49 2kuq s LYS 22 N 2.20 4.16 0.05 0.44 3.01 -1.26 -0.76 119.74 127.57 2kuq s LYS 22 Ca 0.04 2.51 0.02 0.00 -1.01 0.00 0.00 55.97 57.53 2kuq s LYS 22 Cb -0.12 -3.10 -0.03 0.00 -1.01 0.00 0.00 37.83 33.57 2kuq s LYS 22 CO -0.04 -0.69 -0.07 0.14 0.51 0.00 0.00 175.35 175.20 2kuq s VAL 23 N 1.05 0.51 -0.16 3.17 -7.23 -0.02 -4.78 120.40 112.93 2kuq s VAL 23 Ca 0.72 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 2kuq s VAL 23 Cb -0.47 -0.75 0.05 0.00 0.56 0.00 0.00 36.38 35.76 2kuq s VAL 23 CO 0.33 -0.48 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.74 2kuq s THR 24 N -1.78 0.78 0.34 5.32 2.01 -1.07 -1.00 115.64 120.23 2kuq s THR 24 Ca -0.07 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 2kuq s THR 24 Cb -0.07 -1.09 -0.10 0.00 0.01 0.00 0.00 72.50 71.25 2kuq s THR 24 CO -0.01 0.00 1.35 0.21 -0.69 0.00 0.00 174.62 175.48 2kuq s ASN 25 N 1.77 6.68 0.15 3.53 3.04 -0.57 -0.71 114.94 128.82 2kuq s ASN 25 Ca 0.00 2.76 0.07 0.00 0.04 0.00 0.00 52.86 55.74 2kuq s ASN 25 Cb -0.16 -2.65 -0.04 0.00 -1.54 0.00 0.00 41.25 36.86 2kuq s ASN 25 CO -0.07 -0.61 -0.16 0.68 -3.04 0.00 0.00 177.10 173.90 2kuq s VAL 26 N -1.10 1.62 0.45 -5.21 -7.23 -0.64 -1.53 120.40 106.76 2kuq s VAL 26 Ca 0.50 -1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 2kuq s VAL 26 Cb -0.41 -1.75 0.10 0.00 0.56 0.00 0.00 36.38 34.88 2kuq s VAL 26 CO 0.55 -0.39 0.61 -0.90 -0.31 0.00 0.00 175.10 174.67 2kuq n ASP 27 N 0.31 0.34 0.13 4.85 5.75 -1.18 -4.61 116.55 122.15 2kuq n ASP 27 Ca -0.13 -1.40 0.10 0.00 -0.01 0.00 0.00 54.79 53.35 2kuq n ASP 27 Cb 0.57 -0.44 0.50 0.00 -1.03 0.00 0.00 41.12 40.73 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 -3.23 0.55 -0.00 -1.12 8.00 -1.26 -1.86 116.55 117.63 2kuq n ASP 28 Ca 0.09 0.70 0.11 0.00 0.71 0.00 0.00 54.79 56.39 2kuq n ASP 28 Cb 0.30 -0.79 -0.16 0.00 -0.02 0.00 0.00 41.12 40.45 2kuq n ASP 28 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kuq n GLU 29 N -2.18 0.66 -0.12 -1.24 4.07 -1.26 -5.01 120.64 115.56 2kuq n GLU 29 Ca 0.00 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 2kuq n GLU 29 Cb 0.11 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kuq n GLY 30 N 1.26 0.93 3.71 8.31 0.00 -0.78 -5.09 105.19 113.53 2kuq n GLY 30 Ca -0.04 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 3.97 -0.16 1.61 1.01 -1.26 -4.81 120.40 118.76 2kuq s VAL 31 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 2kuq s VAL 31 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2kuq s VAL 31 CO 0.00 0.08 1.67 -1.61 0.00 0.00 0.00 175.10 175.24 2kuq s GLU 32 N 1.42 3.89 -0.22 2.72 2.02 -1.26 -3.08 118.70 124.19 2kuq s GLU 32 Ca 0.59 1.88 -0.16 0.00 0.02 0.00 0.00 54.97 57.30 2kuq s GLU 32 Cb -0.30 -4.04 -0.09 0.00 0.10 0.00 0.00 34.13 29.80 2kuq s GLU 32 CO 0.28 -1.19 -0.28 1.28 0.02 0.00 0.00 175.26 175.37 2kuq n LEU 33 N 8.19 1.93 -3.51 1.80 4.77 -0.58 -5.04 117.00 124.56 2kuq n LEU 33 Ca 0.19 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.41 2kuq n LEU 33 Cb 0.44 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2kuq n LEU 33 CO 0.64 0.11 0.56 -0.83 -1.33 0.00 0.00 177.39 176.53 2kuq s GLY 34 N -5.08 -0.50 0.15 -0.72 0.00 -1.25 -4.81 107.32 95.12 2kuq s GLY 34 Ca -0.32 1.24 0.04 0.00 0.00 0.00 0.00 44.72 45.68 2kuq s GLY 34 CO 0.45 0.68 0.17 -1.35 0.00 0.00 0.00 173.10 173.05 2kuq s SER 35 N -1.76 5.75 0.36 1.64 1.04 -1.26 -1.51 113.70 117.95 2kuq s SER 35 Ca -0.03 -0.03 -0.15 0.00 0.48 0.00 0.00 55.95 56.21 2kuq s SER 35 Cb -0.01 -1.58 0.04 0.00 0.10 0.00 0.00 66.02 64.58 2kuq s SER 35 CO -0.01 0.07 0.74 -0.83 0.98 0.00 0.00 173.24 174.19 2kuq s GLY 36 N -3.07 0.39 -0.17 7.32 0.00 -0.17 -4.53 107.32 107.08 2kuq s GLY 36 Ca 0.32 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.31 2kuq s GLY 36 CO 0.25 -0.34 -0.13 0.14 0.00 0.00 0.00 173.10 173.02 2kuq s VAL 37 N -2.76 1.63 -0.01 1.40 1.01 -0.21 -0.84 120.40 120.63 2kuq s VAL 37 Ca 0.16 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 2kuq s VAL 37 Cb -0.05 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 2kuq s VAL 37 CO 0.11 0.34 0.46 -0.32 0.00 0.00 0.00 175.10 175.68 2kuq s MET 38 N 1.43 4.06 -0.02 2.72 0.00 0.06 -0.92 119.30 126.63 2kuq s MET 38 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 55.69 56.21 2kuq s MET 38 Cb -0.14 -3.27 0.02 0.00 0.00 0.00 0.00 34.83 31.44 2kuq s MET 38 CO -0.10 0.58 -0.00 -2.00 0.00 0.00 0.00 175.02 173.50 2kuq s GLU 39 N -0.75 0.20 -0.27 4.11 2.12 -0.02 -1.53 118.70 122.55 2kuq s GLU 39 Ca 0.25 0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.66 2kuq s GLU 39 Cb -0.17 -0.34 0.06 0.00 0.26 0.00 0.00 34.13 33.95 2kuq s GLU 39 CO 0.14 -0.08 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.18 2kuq s LEU 40 N 0.68 3.57 0.55 2.70 1.02 -1.26 -0.26 118.68 125.69 2kuq s LEU 40 Ca -0.06 -1.48 0.05 0.00 0.02 0.00 0.00 54.13 52.66 2kuq s LEU 40 Cb -0.09 -1.55 0.06 0.00 0.02 0.00 0.00 46.19 44.62 2kuq s LEU 40 CO -0.01 -0.21 0.76 0.42 0.02 0.00 0.00 176.35 177.33 2kuq s THR 41 N 1.09 2.53 -2.00 5.49 -4.23 -0.84 -4.91 115.64 112.76 2kuq s THR 41 Ca -0.07 -0.83 0.21 0.00 -1.18 0.00 0.00 61.69 59.82 2kuq s THR 41 Cb -0.20 -2.70 0.59 0.00 1.34 0.00 0.00 72.50 71.53 2kuq s THR 41 CO -0.05 0.00 1.63 0.00 -0.54 0.00 0.00 174.62 175.65 2kuq n GLN 42 N -2.27 0.66 -0.09 3.99 6.02 -1.26 -3.71 117.38 120.73 2kuq n GLN 42 Ca 0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.95 2kuq n GLN 42 Cb 0.60 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.30 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kuq n SER 43 N -0.99 1.97 -3.71 1.08 7.64 -1.26 -5.11 113.62 113.23 2kuq n SER 43 Ca 0.16 0.07 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 2kuq n SER 43 Cb 0.07 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.33 0.93 0.10 1.43 -1.05 -1.24 -4.55 118.70 111.99 2kuq s GLU 44 Ca -0.24 -0.51 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 2kuq s GLU 44 Cb 0.08 0.32 -0.06 0.00 -0.44 0.00 0.00 34.13 34.03 2kuq s GLU 44 CO 0.35 -0.43 0.92 -1.17 0.95 0.00 0.00 175.26 175.88 2kuq s LEU 45 N -2.95 4.49 0.02 1.83 0.20 -0.47 -1.98 118.68 119.82 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 0.01 -3.52 -0.02 0.00 -0.43 0.00 0.00 46.19 42.23 2kuq s LEU 45 CO 0.00 -0.05 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.16 2kuq s VAL 46 N -0.00 1.26 -0.19 1.68 1.01 0.65 -1.23 120.40 123.58 2kuq s VAL 46 Ca 0.45 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2kuq s VAL 46 Cb -0.23 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.12 2kuq s VAL 46 CO 0.28 0.19 0.05 -0.22 0.00 0.00 0.00 175.10 175.40 2kuq s LEU 47 N -0.82 0.92 0.04 3.92 0.20 0.01 -0.84 118.68 122.11 2kuq s LEU 47 Ca 0.05 -0.75 -0.30 0.00 0.69 0.00 0.00 54.13 53.82 2kuq s LEU 47 Cb -0.07 -0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 2kuq s LEU 47 CO 0.01 -0.32 0.96 -1.00 -0.29 0.00 0.00 176.35 175.71 2kuq s HIS 48 N 1.95 3.71 -0.03 5.38 3.76 -0.10 -0.83 115.29 129.12 2kuq s HIS 48 Ca -0.00 1.72 0.01 0.00 -0.15 0.00 0.00 55.06 56.64 2kuq s HIS 48 Cb -0.17 -3.08 0.02 0.00 1.11 0.00 0.00 32.58 30.46 2kuq s HIS 48 CO -0.08 0.07 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.33 2kuq s LEU 49 N 0.64 1.42 0.39 0.89 1.43 -1.26 -1.05 118.68 121.14 2kuq s LEU 49 Ca 0.50 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 2kuq s LEU 49 Cb -0.22 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.55 2kuq s LEU 49 CO 0.28 -0.04 1.31 -2.28 0.23 0.00 0.00 176.35 175.85 2kuq s HIS 50 N 0.73 2.85 -2.00 0.29 5.65 -1.26 -3.20 115.29 118.35 2kuq s HIS 50 Ca -0.09 1.40 0.00 0.00 0.25 0.00 0.00 55.06 56.62 2kuq s HIS 50 Cb -0.12 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.60 2kuq s HIS 50 CO -0.00 -2.08 0.00 -2.13 -0.65 0.00 0.00 174.74 169.88 2kuq n ARG 51 N 0.24 -1.46 -3.96 2.88 3.00 -1.26 -4.50 116.66 111.60 2kuq n ARG 51 Ca 0.03 1.13 -0.10 0.00 -0.00 0.00 0.00 57.85 58.92 2kuq n ARG 51 Cb 0.43 -5.57 -0.07 0.00 0.00 0.00 0.00 32.46 27.26 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 -4.11 1.25 0.66 -0.14 0.52 -1.19 -5.11 118.95 110.82 2kuq s ARG 52 Ca 0.00 -1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 53.90 2kuq s ARG 52 Cb 0.00 0.40 -0.01 0.00 0.52 0.00 0.00 34.95 35.86 2kuq s ARG 52 CO 0.00 -0.47 1.05 -1.83 0.02 0.00 0.00 175.30 174.07 2kuq s GLU 53 N -3.98 3.12 0.01 3.54 -1.05 -1.26 -4.69 118.70 114.39 2kuq s GLU 53 Ca 0.19 1.01 -0.30 0.00 -0.15 0.00 0.00 54.97 55.71 2kuq s GLU 53 Cb 0.02 -2.01 -0.04 0.00 -0.44 0.00 0.00 34.13 31.66 2kuq s GLU 53 CO 0.02 -0.96 1.11 0.00 0.95 0.00 0.00 175.26 176.38 2kuq s ALA 54 N -2.88 3.32 -0.10 -0.84 0.00 -1.26 -4.41 121.76 115.58 2kuq s ALA 54 Ca 0.59 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 53.04 2kuq s ALA 54 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2kuq s ALA 54 CO 0.49 -0.42 0.54 0.08 0.00 0.00 0.00 175.76 176.45 2kuq s VAL 55 N 1.26 5.15 -0.04 0.00 1.01 -0.01 -4.86 120.40 122.90 2kuq s VAL 55 Ca 0.55 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.67 2kuq s VAL 55 Cb -0.25 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2kuq s VAL 55 CO 0.27 0.31 -0.18 -0.13 0.00 0.00 0.00 175.10 175.37 2kuq s ARG 56 N 0.63 2.35 -0.16 2.72 0.52 -1.26 -0.81 118.95 122.95 2kuq s ARG 56 Ca 0.29 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2kuq s ARG 56 Cb -0.16 -2.25 0.05 0.00 0.52 0.00 0.00 34.95 33.11 2kuq s ARG 56 CO 0.12 0.60 0.02 -1.58 0.02 0.00 0.00 175.30 174.48 2kuq s TRP 57 N -0.70 0.98 0.28 -0.53 0.51 -0.36 -4.61 118.94 114.52 2kuq s TRP 57 Ca 0.11 -0.68 -0.29 0.00 -2.12 0.00 0.00 56.10 53.12 2kuq s TRP 57 Cb -0.10 -0.99 -0.10 0.00 -0.81 0.00 0.00 33.47 31.47 2kuq s TRP 57 CO 0.00 -0.53 1.33 -1.25 -0.51 0.00 0.00 176.95 175.99 2kuq s PRO 58 N 1.87 4.36 0.47 4.98 0.04 -1.26 -1.36 135.00 144.09 2kuq s PRO 58 Ca 0.01 2.18 0.18 0.00 0.04 0.00 0.00 61.00 63.41 2kuq s PRO 58 Cb -0.15 -3.11 1.12 0.00 0.04 0.00 0.00 34.50 32.39 2kuq s PRO 58 CO -0.07 -0.23 2.01 1.88 0.04 0.00 0.00 177.00 180.63 2kuq h TYR 59 N 4.17 0.00 0.00 0.56 0.05 -1.94 -0.73 116.97 119.07 2kuq h TYR 59 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2kuq h TYR 59 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 2kuq h TYR 59 CO 0.58 0.17 0.00 1.37 -1.05 0.00 0.00 178.16 179.23 2kuq h LEU 60 N 0.00 0.00 -2.25 3.88 -0.00 -1.93 -2.42 115.31 112.58 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 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2kuq h LEU 60 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 2kuq s LEU 62 N -1.33 4.62 0.19 0.00 1.43 -0.91 -0.91 118.68 121.76 2kuq s LEU 62 Ca 0.40 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2kuq s LEU 62 Cb 0.22 -2.58 0.12 0.00 0.03 0.00 0.00 46.19 43.98 2kuq s LEU 62 CO 0.31 -0.67 1.50 -0.09 0.23 0.00 0.00 176.35 177.63 2kuq h ARG 63 N 8.77 0.47 -2.67 1.70 2.43 -1.79 -3.42 114.38 119.88 2kuq h ARG 63 Ca -0.26 -0.32 0.06 0.00 -0.81 0.00 0.00 59.98 58.64 2kuq h ARG 63 Cb 1.10 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.58 2kuq h ARG 63 CO 0.84 0.93 0.34 -0.98 -1.51 0.00 0.00 179.97 179.60 2kuq s ARG 64 N -3.87 1.15 0.03 0.20 1.70 -1.26 -4.49 118.95 112.42 2kuq s ARG 64 Ca -0.06 -0.47 -0.25 0.00 -0.47 0.00 0.00 55.73 54.47 2kuq s ARG 64 Cb 0.11 0.50 0.06 0.00 -0.57 0.00 0.00 34.95 35.05 2kuq s ARG 64 CO 0.83 -0.51 0.58 1.52 -1.08 0.00 0.00 175.30 176.64 2kuq s TYR 65 N -3.49 -0.51 0.31 5.89 1.13 -0.91 -1.23 117.35 118.54 2kuq s TYR 65 Ca 0.05 0.65 -0.19 0.00 -1.41 0.00 0.00 57.07 56.16 2kuq s TYR 65 Cb -0.02 0.39 0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2kuq s TYR 65 CO -0.08 -0.66 0.79 0.20 -2.51 0.00 0.00 175.55 173.29 2kuq s GLY 66 N -1.84 0.10 0.05 5.49 0.00 0.18 -0.66 107.32 110.64 2kuq s GLY 66 Ca -0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.06 2kuq s GLY 66 CO 0.00 -0.01 0.33 -2.52 0.00 0.00 0.00 173.10 170.90 2kuq s TYR 67 N -3.09 -0.13 0.20 1.90 1.13 -1.25 -1.18 117.35 114.92 2kuq s TYR 67 Ca 0.14 -0.00 0.03 0.00 -1.41 0.00 0.00 57.07 55.83 2kuq s TYR 67 Cb -0.05 0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.92 2kuq s TYR 67 CO 0.08 -0.53 0.19 -3.47 -2.51 0.00 0.00 175.55 169.32 2kuq n ASP 68 N 0.50 -0.51 -4.55 -0.18 -0.08 0.47 -3.78 116.55 108.42 2kuq n ASP 68 Ca -0.18 -2.24 -0.46 0.00 -1.51 0.00 0.00 54.79 50.40 2kuq n ASP 68 Cb 0.60 1.10 -0.05 0.00 2.34 0.00 0.00 41.12 45.11 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 -2.14 2.87 -1.91 1.67 3.41 -1.26 -1.97 113.62 114.29 2kuq n SER 69 Ca 0.04 0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.87 2kuq n SER 69 Cb 0.35 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 62.84 2kuq n SER 69 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2kuq n ASN 70 N 10.55 -3.80 -3.89 4.04 0.23 -1.26 -4.97 115.26 116.16 2kuq n ASN 70 Ca 0.33 0.25 -0.16 0.00 -0.53 0.00 0.00 54.58 54.48 2kuq n ASN 70 Cb 0.35 -3.37 -0.15 0.00 -2.08 0.00 0.00 39.78 34.53 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kuq s LEU 71 N -4.70 1.68 -0.05 -4.53 2.96 -0.83 -0.81 118.68 112.39 2kuq s LEU 71 Ca 0.00 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2kuq s LEU 71 Cb 0.00 -0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.49 2kuq s LEU 71 CO 0.00 -0.01 -0.12 0.12 -1.32 0.00 0.00 176.35 175.01 2kuq s PHE 72 N 0.35 1.38 0.03 5.38 5.36 -0.32 -0.39 117.98 129.76 2kuq s PHE 72 Ca -0.03 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 2kuq s PHE 72 Cb -0.06 -0.99 -0.02 0.00 -0.34 0.00 0.00 43.02 41.61 2kuq s PHE 72 CO -0.01 -0.21 -0.04 0.45 -1.46 0.00 0.00 175.22 173.96 2kuq s SER 73 N 0.42 0.35 0.11 6.13 0.15 -0.33 -0.88 113.70 119.66 2kuq s SER 73 Ca -0.10 -0.54 -0.13 0.00 0.70 0.00 0.00 55.95 55.89 2kuq s SER 73 Cb -0.13 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 2kuq s SER 73 CO 0.03 -0.30 0.32 0.72 1.20 0.00 0.00 173.24 175.20 2kuq s PHE 74 N -1.59 -0.05 -0.16 3.44 -0.12 -0.80 -0.64 117.98 118.04 2kuq s PHE 74 Ca -0.14 -0.31 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 2kuq s PHE 74 Cb -0.09 0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 2kuq s PHE 74 CO -0.01 -0.65 -0.20 -2.00 -0.05 0.00 0.00 175.22 172.31 2kuq s GLU 75 N -3.83 3.02 -0.07 1.99 2.12 -0.36 -1.46 118.70 120.11 2kuq s GLU 75 Ca 0.04 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 2kuq s GLU 75 Cb 0.03 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 2kuq s GLU 75 CO -0.11 -0.12 0.06 -1.12 -0.54 0.00 0.00 175.26 173.42 2kuq s SER 76 N 1.09 5.61 1.04 -1.70 0.01 -0.10 -2.51 113.70 117.14 2kuq s SER 76 Ca -0.00 0.21 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 2kuq s SER 76 Cb -0.14 -1.64 0.21 0.00 0.21 0.00 0.00 66.02 64.66 2kuq s SER 76 CO -0.08 0.35 1.07 -0.83 0.41 0.00 0.00 173.24 174.17 2kuq s GLY 77 N -1.20 1.56 0.46 3.44 0.00 -0.09 -2.85 107.32 108.65 2kuq s GLY 77 Ca 0.17 -0.27 0.23 0.00 0.00 0.00 0.00 44.72 44.84 2kuq s GLY 77 CO 0.06 0.36 1.95 3.21 0.00 0.00 0.00 173.10 178.69 2kuq h ARG 78 N -2.09 0.00 -0.05 2.90 3.08 -1.90 -3.14 114.38 113.18 2kuq h ARG 78 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.49 2kuq h ARG 78 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2kuq h ARG 78 CO 0.55 0.21 0.00 2.89 -1.07 0.00 0.00 179.97 182.55 2kuq n ARG 79 N -3.70 2.21 -1.85 0.04 1.85 -1.26 -3.92 116.66 110.03 2kuq n ARG 79 Ca -0.01 -1.90 -0.29 0.00 -1.00 0.00 0.00 57.85 54.65 2kuq n ARG 79 Cb 0.33 -1.45 0.12 0.00 -1.05 0.00 0.00 32.46 30.41 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 -1.24 0.11 -0.00 0.00 4.15 -1.93 -1.68 115.11 114.51 2kuq h GLN 81 Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2kuq h GLN 81 Cb 1.31 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2kuq h GLN 81 CO 0.60 0.07 -0.30 0.25 -1.93 0.00 0.00 178.83 177.52 2kuq n THR 82 N -4.53 0.00 -2.87 2.39 -2.24 -1.26 -5.08 114.28 100.69 2kuq n THR 82 Ca -0.02 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2kuq n THR 82 Cb 0.09 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.90 3.73 3.38 0.00 -0.64 -4.81 105.19 106.42 2kuq n GLY 83 Ca 0.07 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.51 4.19 -0.17 1.61 2.00 -1.19 -4.65 119.66 120.93 2kuq s GLN 84 Ca 0.00 2.44 -0.35 0.00 -2.00 0.00 0.00 55.36 55.45 2kuq s GLN 84 Cb 0.00 -3.11 0.14 0.00 0.80 0.00 0.00 33.01 30.84 2kuq s GLN 84 CO 0.00 -0.62 1.24 0.20 -0.50 0.00 0.00 175.29 175.61 2kuq s GLY 85 N 0.95 -0.30 -0.14 2.59 0.00 -1.13 -5.01 107.32 104.27 2kuq s GLY 85 Ca 0.69 1.49 -0.02 0.00 0.00 0.00 0.00 44.72 46.88 2kuq s GLY 85 CO 0.35 0.48 -0.08 -0.42 0.00 0.00 0.00 173.10 173.43 2kuq s ILE 86 N -2.38 3.49 -0.09 0.90 1.01 -1.26 -0.93 121.20 121.94 2kuq s ILE 86 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2kuq s ILE 86 Cb -0.00 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.99 2kuq s ILE 86 CO -0.04 0.51 -0.10 -0.36 0.00 0.00 0.00 174.94 174.95 2kuq s PHE 87 N 0.33 1.49 0.07 3.97 0.08 -0.53 -0.87 117.98 122.52 2kuq s PHE 87 Ca -0.07 -0.67 0.08 0.00 0.12 0.00 0.00 56.93 56.39 2kuq s PHE 87 Cb -0.15 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 2kuq s PHE 87 CO 0.04 -0.42 -0.22 0.00 -0.10 0.00 0.00 175.22 174.53 2kuq s ALA 88 N 1.27 1.84 -0.02 5.36 0.00 -1.26 -1.91 121.76 127.04 2kuq s ALA 88 Ca -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2kuq s ALA 88 Cb -0.14 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2kuq s ALA 88 CO -0.03 0.40 -0.01 -0.06 0.00 0.00 0.00 175.76 176.06 2kuq s PHE 89 N -0.93 0.29 -0.16 0.00 0.40 -0.06 -1.62 117.98 115.90 2kuq s PHE 89 Ca 0.08 -0.02 -0.20 0.00 -0.60 0.00 0.00 56.93 56.19 2kuq s PHE 89 Cb -0.09 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 2kuq s PHE 89 CO 0.03 -0.08 0.58 0.21 0.70 0.00 0.00 175.22 176.66 2kuq s LYS 90 N 0.57 4.26 -0.29 0.44 2.20 0.11 -1.17 119.74 125.86 2kuq s LYS 90 Ca -0.06 0.57 -0.19 0.00 -0.36 0.00 0.00 55.97 55.93 2kuq s LYS 90 Cb -0.09 -3.53 0.14 0.00 -1.51 0.00 0.00 37.83 32.85 2kuq s LYS 90 CO -0.01 -0.09 1.02 0.00 -0.36 0.00 0.00 175.35 175.91 2kuq h SER 92 N 5.37 0.00 -0.46 0.00 4.64 -1.89 -2.89 113.55 118.32 2kuq h SER 92 Ca -0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 2kuq h SER 92 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2kuq h SER 92 CO 0.17 0.15 0.06 0.54 -0.87 0.00 0.00 176.83 176.88 2kuq n ARG 93 N -4.05 3.61 -0.31 4.77 1.74 -1.26 -4.58 116.66 116.58 2kuq n ARG 93 Ca -0.02 -2.29 0.23 0.00 -0.77 0.00 0.00 57.85 54.99 2kuq n ARG 93 Cb 0.23 -2.04 0.52 0.00 -1.02 0.00 0.00 32.46 30.15 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 3.19 2.28 -0.57 7.54 0.00 -1.84 -0.85 119.26 129.00 2kuq h ALA 94 Ca 0.06 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2kuq h ALA 94 Cb 1.69 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2kuq h ALA 94 CO 0.42 -0.66 -0.00 1.49 0.00 0.00 0.00 179.25 180.50 2kuq h GLU 95 N 0.37 0.99 -0.47 0.00 4.81 -1.89 -1.40 114.58 117.00 2kuq h GLU 95 Ca 0.57 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2kuq h GLU 95 Cb 1.49 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2kuq h GLU 95 CO -0.26 0.98 -0.14 0.93 -0.73 0.00 0.00 179.01 179.79 2kuq h GLU 96 N 0.91 0.93 -0.19 1.92 4.39 -1.53 -1.21 114.58 119.80 2kuq h GLU 96 Ca 0.17 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 2kuq h GLU 96 Cb 0.53 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2kuq h GLU 96 CO 0.03 1.03 0.07 0.82 -1.16 0.00 0.00 179.01 179.79 2kuq h ILE 97 N 0.78 1.18 -0.64 3.13 2.04 -1.36 -1.04 117.51 121.59 2kuq h ILE 97 Ca 0.12 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2kuq h ILE 97 Cb 0.70 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2kuq h ILE 97 CO 0.05 0.17 0.40 0.15 0.00 0.00 0.00 178.15 178.92 2kuq h PHE 98 N 0.14 0.83 -0.18 1.37 3.57 -1.19 0.08 116.94 121.55 2kuq h PHE 98 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2kuq h PHE 98 Cb 0.21 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2kuq h PHE 98 CO -0.00 0.55 0.01 -0.91 -2.23 0.00 0.00 178.31 175.73 2kuq h ASN 99 N 0.87 0.31 -0.82 0.41 2.35 -1.16 -2.54 115.58 114.99 2kuq h ASN 99 Ca 0.23 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2kuq h ASN 99 Cb -0.05 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 2kuq h ASN 99 CO -0.05 0.52 0.42 0.25 -1.65 0.00 0.00 177.43 176.93 2kuq h LEU 100 N 0.09 1.05 0.18 1.61 5.85 -1.04 -1.49 115.31 121.56 2kuq h LEU 100 Ca 0.05 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2kuq h LEU 100 Cb 0.36 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2kuq h LEU 100 CO 0.01 0.87 -0.13 0.25 -0.34 0.00 0.00 178.44 179.10 2kuq h LEU 101 N 1.16 -0.33 -1.15 2.25 5.85 -0.94 -1.25 115.31 120.90 2kuq h LEU 101 Ca 0.29 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 2kuq h LEU 101 Cb 0.08 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2kuq h LEU 101 CO -0.04 -0.21 -0.33 0.06 -0.34 0.00 0.00 178.44 177.59 2kuq h GLN 102 N -0.32 0.17 -0.53 1.25 3.07 -1.32 -1.73 115.11 115.71 2kuq h GLN 102 Ca -0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 58.65 58.58 2kuq h GLN 102 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 2kuq h GLN 102 CO 0.00 0.49 0.00 -0.44 0.09 0.00 0.00 178.83 178.97 2kuq h ASP 103 N 0.15 0.91 0.71 0.06 3.32 -1.06 -0.24 116.42 120.27 2kuq h ASP 103 Ca 0.02 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 2kuq h ASP 103 Cb 0.66 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2kuq h ASP 103 CO 0.05 0.99 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.99 2kuq h LEU 104 N 0.80 0.00 -0.03 1.55 3.38 -1.07 -1.33 115.31 118.61 2kuq h LEU 104 Ca 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.86 2kuq h LEU 104 Cb 0.52 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.29 2kuq h LEU 104 CO 0.03 0.50 -1.03 0.24 0.09 0.00 0.00 178.44 178.27 2kuq h MET 105 N 0.00 0.65 0.18 1.13 2.86 -1.13 -3.35 114.93 115.27 2kuq h MET 105 Ca -0.01 -0.71 -0.30 0.00 -2.06 0.00 0.00 59.70 56.63 2kuq h MET 105 Cb 0.99 0.20 0.02 0.00 0.06 0.00 0.00 31.60 32.87 2kuq h MET 105 CO 0.07 1.29 -1.34 -0.56 1.06 0.00 0.00 176.91 177.43 2kuq h GLN 106 N 0.37 0.38 -4.25 1.72 3.07 -1.02 -3.47 115.11 111.90 2kuq h GLN 106 Ca -0.12 -0.64 -0.29 0.00 0.09 0.00 0.00 58.65 57.68 2kuq h GLN 106 Cb 1.68 0.24 -0.02 0.00 0.08 0.00 0.00 27.48 29.46 2kuq h GLN 106 CO 0.20 1.31 -0.40 0.00 0.09 0.00 0.00 178.83 180.03 2kuq s ASN 108 N -2.24 3.60 -0.56 0.00 2.47 -1.26 -4.94 114.94 112.00 2kuq s ASN 108 Ca 0.12 1.49 -0.26 0.00 0.42 0.00 0.00 52.86 54.62 2kuq s ASN 108 Cb -0.06 -2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 37.53 2kuq s ASN 108 CO 0.14 -2.56 2.03 -0.94 -3.72 0.00 0.00 177.10 172.06 2kuq s SER 109 N -3.46 5.02 -0.02 -4.21 1.04 -1.26 -4.95 113.70 105.87 2kuq s SER 109 Ca 0.63 0.60 0.01 0.00 0.48 0.00 0.00 55.95 57.68 2kuq s SER 109 Cb -0.18 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.43 2kuq s SER 109 CO 0.57 -2.52 -0.04 -0.63 0.98 0.00 0.00 173.24 171.59 2kuq s ILE 110 N 10.01 0.42 -0.14 -1.02 -1.09 -1.26 -5.08 121.20 123.04 2kuq s ILE 110 Ca 0.77 -0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.74 2kuq s ILE 110 Cb -0.14 -0.40 -0.26 0.00 -1.58 0.00 0.00 42.46 40.07 2kuq s ILE 110 CO 0.23 0.15 0.77 -0.55 -1.23 0.00 0.00 174.94 174.31 2kuq h ASN 111 N 6.49 0.01 -3.64 3.58 -1.07 -2.06 -3.49 115.58 115.40 2kuq h ASN 111 Ca -0.33 -1.00 0.16 0.00 0.07 0.00 0.00 56.30 55.20 2kuq h ASN 111 Cb 1.17 -0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 37.17 2kuq h ASN 111 CO 0.49 1.01 0.75 0.54 0.07 0.00 0.00 177.43 180.29 2kuq s VAL 112 N -2.22 0.00 -0.06 6.14 0.11 -1.26 -5.18 120.40 117.93 2kuq s VAL 112 Ca -0.19 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2kuq s VAL 112 Cb -0.03 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2kuq s VAL 112 CO 0.69 0.00 -0.13 -0.04 -3.33 0.00 0.00 175.10 172.29 2kuq s MET 113 N -1.11 1.69 0.04 1.54 -1.94 -1.26 -5.15 119.30 113.10 2kuq s MET 113 Ca 0.04 -0.44 0.04 0.00 -1.71 0.00 0.00 55.69 53.62 2kuq s MET 113 Cb -0.01 -1.41 -0.02 0.00 2.01 0.00 0.00 34.83 35.40 2kuq s MET 113 CO -0.03 0.06 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.70 2kuq s GLU 114 N 0.55 0.87 0.04 2.03 8.01 -1.26 -5.17 118.70 123.78 2kuq s GLU 114 Ca -0.13 -0.73 0.03 0.00 0.01 0.00 0.00 54.97 54.15 2kuq s GLU 114 Cb -0.15 -0.86 -0.02 0.00 -4.31 0.00 0.00 34.13 28.79 2kuq s GLU 114 CO 0.03 0.21 -0.09 -1.21 0.01 0.00 0.00 175.26 174.22 2kuq s GLU 115 N -1.14 0.57 0.59 1.61 0.41 -1.26 -5.16 118.70 114.33 2kuq s GLU 115 Ca 0.01 -0.77 -0.15 0.00 -0.41 0.00 0.00 54.97 53.64 2kuq s GLU 115 Cb -0.08 -0.37 -0.04 0.00 -1.78 0.00 0.00 34.13 31.86 2kuq s GLU 115 CO 0.01 0.07 1.05 -1.25 -0.49 0.00 0.00 175.26 174.65 2kuq s PRO 116 N -1.56 3.34 0.04 0.39 0.04 -1.26 -5.03 135.00 130.95 2kuq s PRO 116 Ca -0.09 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 2kuq s PRO 116 Cb -0.10 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2kuq s PRO 116 CO 0.01 -0.79 0.91 0.08 0.04 0.00 0.00 177.00 177.24 2kuq s VAL 117 N -2.51 4.75 0.07 -0.36 1.01 -1.26 -5.07 120.40 117.02 2kuq s VAL 117 Ca 0.63 1.93 0.08 0.00 0.00 0.00 0.00 61.98 64.62 2kuq s VAL 117 Cb -0.15 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2kuq s VAL 117 CO 0.38 0.26 -0.22 -0.63 0.00 0.00 0.00 175.10 174.88 2kuq s ILE 118 N 0.48 1.83 0.06 2.22 -1.09 -1.26 -5.00 121.20 118.44 2kuq s ILE 118 Ca 0.46 -1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 57.19 2kuq s ILE 118 Cb -0.21 -1.61 -0.09 0.00 -1.58 0.00 0.00 42.46 38.96 2kuq s ILE 118 CO 0.27 0.15 1.95 -0.38 -1.23 0.00 0.00 174.94 175.69 2kuq n ILE 119 N 1.52 0.68 -2.32 2.92 5.41 -1.26 -4.96 119.36 121.35 2kuq n ILE 119 Ca -0.18 -0.12 -0.38 0.00 1.00 0.00 0.00 62.75 63.07 2kuq n ILE 119 Cb 0.53 -2.27 -0.02 0.00 -0.71 0.00 0.00 39.64 37.16 2kuq n ILE 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2kuq s THR 120 N 4.07 3.22 -0.12 1.39 -1.32 -1.26 -5.05 115.64 116.56 2kuq s THR 120 Ca 0.87 1.03 -0.01 0.00 -1.21 0.00 0.00 61.69 62.38 2kuq s THR 120 Cb -0.45 -3.58 -0.02 0.00 -1.51 0.00 0.00 72.50 66.94 2kuq s THR 120 CO 0.41 0.10 -0.10 -0.94 -2.21 0.00 0.00 174.62 171.88 2kuq s SER 121 N -1.14 4.32 1.04 8.08 1.04 -1.26 -5.01 113.70 120.77 2kuq s SER 121 Ca 0.56 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2kuq s SER 121 Cb -0.30 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.32 2kuq s SER 121 CO 0.38 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.43 2kuq n GLY 122 N 3.18 2.13 0.00 7.32 0.00 -1.26 -4.94 105.19 111.62 2kuq n GLY 122 Ca -0.18 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2kuq n GLY 122 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 123 N 3.69 0.00 -3.80 1.61 2.88 -1.26 -5.21 113.62 111.53 2kuq n SER 123 Ca 0.00 -0.81 -0.10 0.00 -1.33 0.00 0.00 58.87 56.63 2kuq n SER 123 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2kuq n SER 123 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2kuq s SER 124 N -0.43 -0.17 0.00 -3.46 1.04 -1.26 -5.10 113.70 104.32 2kuq s SER 124 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2kuq s SER 124 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2kuq s SER 124 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2kuq n GLY 125 N -0.30 -0.90 3.26 7.32 0.00 -1.26 -5.02 105.19 108.29 2kuq n GLY 125 Ca -0.10 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.24 0.39 1.61 0.01 -1.26 -5.13 113.70 109.08 2kuq s SER 126 Ca 0.00 0.16 -0.19 0.00 1.31 0.00 0.00 55.95 57.23 2kuq s SER 126 Cb 0.00 0.35 -0.10 0.00 0.21 0.00 0.00 66.02 66.47 2kuq s SER 126 CO 0.00 -0.45 0.88 -0.55 0.41 0.00 0.00 173.24 173.53 2kuq s SER 127 N -1.27 6.89 0.00 2.44 0.15 -1.26 -4.95 113.70 115.70 2kuq s SER 127 Ca -0.13 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.08 2kuq s SER 127 Cb -0.05 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2kuq s SER 127 CO 0.05 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2kuq n GLY 128 N -0.55 -0.54 3.39 9.45 0.00 -1.26 -5.16 105.19 110.52 2kuq n GLY 128 Ca 0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.00 -0.49 -0.22 1.61 0.15 -1.26 -5.17 113.70 104.33 2kuq s SER 129 Ca 0.00 0.89 -0.10 0.00 0.70 0.00 0.00 55.95 57.44 2kuq s SER 129 Cb 0.00 0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 65.17 2kuq s SER 129 CO 0.00 -0.23 0.15 -0.44 1.20 0.00 0.00 173.24 173.92 2kuq s SER 130 N 0.02 6.18 -0.04 5.45 0.01 -1.26 -4.25 113.70 119.80 2kuq s SER 130 Ca -0.02 0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 2kuq s SER 130 Cb -0.03 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2kuq s SER 130 CO 0.02 0.13 0.01 0.61 0.41 0.00 0.00 173.24 174.41 2kuq n GLY 131 N 3.84 -3.13 3.39 3.44 0.00 -1.26 -4.79 105.19 106.68 2kuq n GLY 131 Ca -0.15 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 2kuq n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 132 N 0.15 3.93 0.00 1.61 2.88 -1.26 -3.57 113.62 117.37 2kuq n SER 132 Ca -0.02 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 2kuq n SER 132 Cb 0.03 -1.66 0.00 0.00 -0.75 0.00 0.00 64.21 61.83 2kuq n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kuq n SER 133 N 9.69 -4.61 0.00 -3.46 2.88 -1.26 -4.72 113.62 112.13 2kuq n SER 133 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2kuq n SER 133 Cb 0.44 -2.24 0.00 0.00 -0.75 0.00 0.00 64.21 61.66 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 134 N -0.69 0.63 3.46 0.46 0.00 -1.23 -5.09 105.19 102.72 2kuq n GLY 134 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 2kuq n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kuq s LEU 135 N 0.00 2.68 -0.17 0.99 1.43 -1.26 -4.49 118.68 117.86 2kuq s LEU 135 Ca 0.00 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2kuq s LEU 135 Cb 0.00 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 2kuq s LEU 135 CO 0.00 0.33 1.28 0.12 0.23 0.00 0.00 176.35 178.31 2kuq s PHE 136 N -0.66 2.81 -0.52 0.29 2.19 -1.26 -4.99 117.98 115.82 2kuq s PHE 136 Ca 0.10 0.97 -0.25 0.00 0.33 0.00 0.00 56.93 58.09 2kuq s PHE 136 Cb -0.11 -3.55 0.04 0.00 -1.31 0.00 0.00 43.02 38.09 2kuq s PHE 136 CO 0.01 -1.77 0.94 1.03 1.83 0.00 0.00 175.22 177.25 2kuq s ARG 137 N 3.57 3.39 0.44 10.12 0.52 -1.26 -4.60 118.95 131.13 2kuq s ARG 137 Ca 0.55 -0.13 -0.23 0.00 -0.52 0.00 0.00 55.73 55.40 2kuq s ARG 137 Cb -0.22 -4.01 -0.08 0.00 0.52 0.00 0.00 34.95 31.16 2kuq s ARG 137 CO 0.16 -1.41 1.09 -0.51 0.02 0.00 0.00 175.30 174.65 2kuq s LEU 138 N 3.90 4.03 0.30 2.53 1.43 -0.04 -4.90 118.68 125.93 2kuq s LEU 138 Ca 0.32 2.11 0.16 0.00 -1.03 0.00 0.00 54.13 55.69 2kuq s LEU 138 Cb -0.12 -4.28 0.14 0.00 0.03 0.00 0.00 46.19 41.96 2kuq s LEU 138 CO 0.21 -0.71 1.48 0.03 0.23 0.00 0.00 176.35 177.60 2kuq h ARG 139 N 2.14 0.00 -4.71 1.70 3.08 -1.96 -3.38 114.38 111.25 2kuq h ARG 139 Ca -0.49 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.29 2kuq h ARG 139 Cb 1.23 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.13 2kuq h ARG 139 CO 0.61 0.45 -0.64 -3.38 -1.07 0.00 0.00 179.97 175.94 2kuq s HIS 140 N -3.02 1.21 -0.38 3.04 -3.43 -1.26 -5.10 115.29 106.35 2kuq s HIS 140 Ca 0.04 -1.15 -0.19 0.00 -0.80 0.00 0.00 55.06 52.95 2kuq s HIS 140 Cb 0.08 -0.68 0.01 0.00 -1.43 0.00 0.00 32.58 30.55 2kuq s HIS 140 CO 0.73 -0.37 0.56 0.12 -2.00 0.00 0.00 174.74 173.79 2kuq s PHE 141 N -3.83 3.15 -0.24 0.38 5.36 -1.26 -4.97 117.98 116.57 2kuq s PHE 141 Ca 0.30 0.11 0.19 0.00 -0.96 0.00 0.00 56.93 56.57 2kuq s PHE 141 Cb 0.07 -3.06 0.09 0.00 -0.34 0.00 0.00 43.02 39.78 2kuq s PHE 141 CO 0.07 -0.65 1.30 -1.00 -1.46 0.00 0.00 175.22 173.49 2kuq h PRO 142 N 8.58 0.00 -5.95 10.12 0.13 -1.99 -3.45 132.00 139.43 2kuq h PRO 142 Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 2kuq h PRO 142 Cb 1.11 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 2kuq h PRO 142 CO 0.81 0.23 -0.05 0.00 -0.23 0.00 0.00 178.00 178.77 2kuq h GLY 144 N 6.15 0.24 -5.29 0.00 0.00 -1.89 -3.39 103.07 98.89 2kuq h GLY 144 Ca -0.43 -0.47 -0.69 0.00 0.00 0.00 0.00 47.33 45.73 2kuq h GLY 144 CO 0.72 0.42 3.40 0.70 0.00 0.00 0.00 176.54 181.78 2kuq n ASN 145 N -3.62 8.03 -4.75 0.19 3.02 -1.25 -4.96 115.26 111.92 2kuq n ASN 145 Ca -0.04 -2.75 -0.41 0.00 -0.03 0.00 0.00 54.58 51.35 2kuq n ASN 145 Cb 0.86 -1.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.48 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 1.43 2.70 0.08 2.41 1.01 -1.26 -3.83 120.40 122.94 2kuq s VAL 146 Ca 0.63 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 63.20 2kuq s VAL 146 Cb 0.17 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2kuq s VAL 146 CO -0.07 0.11 0.04 0.21 0.00 0.00 0.00 175.10 175.39 2kuq s ASN 147 N 0.17 0.37 -0.04 3.32 2.47 0.17 -4.98 114.94 116.41 2kuq s ASN 147 Ca 0.57 -0.99 0.03 0.00 0.42 0.00 0.00 52.86 52.89 2kuq s ASN 147 Cb -0.41 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 39.65 2kuq s ASN 147 CO 0.45 -0.67 -0.14 -0.31 -3.72 0.00 0.00 177.10 172.72 2kuq s TYR 148 N -3.94 1.41 0.00 0.43 2.02 -1.26 -2.15 117.35 113.86 2kuq s TYR 148 Ca 0.11 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2kuq s TYR 148 Cb 0.07 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.66 2kuq s TYR 148 CO -0.07 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 2kuq n GLY 149 N 3.25 0.35 3.82 0.71 0.00 -1.26 -5.04 105.19 107.02 2kuq n GLY 149 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 0.62 3.02 0.11 1.61 1.51 -1.26 -4.98 117.35 117.99 2kuq s TYR 150 Ca 0.00 1.32 0.06 0.00 -1.01 0.00 0.00 57.07 57.44 2kuq s TYR 150 Cb 0.00 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 2kuq s TYR 150 CO 0.00 -1.41 -0.04 -0.65 -1.11 0.00 0.00 175.55 172.34 2kuq s GLN 151 N -5.09 2.37 -0.20 -0.62 1.11 -1.26 -4.99 119.66 110.99 2kuq s GLN 151 Ca 0.59 -0.95 -0.18 0.00 0.01 0.00 0.00 55.36 54.84 2kuq s GLN 151 Cb -0.14 -2.43 0.05 0.00 -1.01 0.00 0.00 33.01 29.48 2kuq s GLN 151 CO 0.55 0.52 0.52 -1.14 0.01 0.00 0.00 175.29 175.74 2kuq s GLN 152 N -2.37 0.60 0.00 2.91 2.00 -1.26 -5.18 119.66 116.37 2kuq s GLN 152 Ca 0.24 0.74 0.04 0.00 -2.00 0.00 0.00 55.36 54.38 2kuq s GLN 152 Cb -0.11 0.28 0.03 0.00 0.80 0.00 0.00 33.01 34.01 2kuq s GLN 152 CO 0.17 -0.08 0.63 0.00 -0.50 0.00 0.00 175.29 175.51