#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 -0.23 0.05 1.61 0.01 -1.26 -5.12 113.70 108.75 2kuq s SER 2 Ca 0.00 0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.29 2kuq s SER 2 Cb 0.00 0.45 0.09 0.00 0.21 0.00 0.00 66.02 66.77 2kuq s SER 2 CO 0.00 -0.29 0.92 -0.94 0.41 0.00 0.00 173.24 173.34 2kuq s SER 3 N -0.65 -0.30 0.36 2.44 1.04 -1.26 -5.13 113.70 110.20 2kuq s SER 3 Ca -0.07 -0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.06 2kuq s SER 3 Cb -0.04 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 2kuq s SER 3 CO 0.02 -0.71 0.79 -0.83 0.98 0.00 0.00 173.24 173.49 2kuq s GLY 4 N -2.65 2.30 -0.28 7.32 0.00 -1.26 -5.08 107.32 107.68 2kuq s GLY 4 Ca 0.08 0.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.76 2kuq s GLY 4 CO -0.05 0.32 0.30 -0.45 0.00 0.00 0.00 173.10 173.22 2kuq s SER 5 N -2.36 6.16 -0.07 1.64 0.15 -1.26 -5.05 113.70 112.91 2kuq s SER 5 Ca 0.56 0.16 -0.29 0.00 0.70 0.00 0.00 55.95 57.07 2kuq s SER 5 Cb -0.10 -2.18 0.11 0.00 -1.71 0.00 0.00 66.02 62.14 2kuq s SER 5 CO 0.18 -0.14 0.89 -0.94 1.20 0.00 0.00 173.24 174.43 2kuq s SER 6 N 1.69 -0.42 0.00 5.45 1.04 -1.26 -5.00 113.70 115.19 2kuq s SER 6 Ca 0.12 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2kuq s SER 6 Cb -0.16 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2kuq s SER 6 CO 0.10 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2kuq n GLY 7 N 0.36 0.93 2.55 7.32 0.00 -1.26 -4.54 105.19 110.56 2kuq n GLY 7 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2kuq n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kuq n LEU 8 N 0.00 0.07 -4.78 0.99 4.32 -1.26 -5.00 117.00 111.34 2kuq n LEU 8 Ca 0.00 0.12 -0.34 0.00 -0.02 0.00 0.00 56.01 55.77 2kuq n LEU 8 Cb 0.00 -1.87 0.02 0.00 -1.62 0.00 0.00 43.42 39.94 2kuq n LEU 8 CO 0.00 -0.67 0.76 0.20 -1.22 0.00 0.00 177.39 176.46 2kuq s ASN 9 N -2.30 5.55 -1.44 -1.43 -0.87 -1.26 -4.16 114.94 109.02 2kuq s ASN 9 Ca 0.00 2.07 -0.06 0.00 -1.57 0.00 0.00 52.86 53.30 2kuq s ASN 9 Cb 0.00 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.67 2kuq s ASN 9 CO 0.00 -1.33 0.81 0.54 -2.57 0.00 0.00 177.10 174.55 2kuq n ARG 10 N -1.73 -5.95 0.03 -0.60 5.12 -1.26 -4.87 116.66 107.40 2kuq n ARG 10 Ca 0.11 0.85 0.22 0.00 -1.93 0.00 0.00 57.85 57.10 2kuq n ARG 10 Cb 0.52 -5.72 0.73 0.00 -1.16 0.00 0.00 32.46 26.82 2kuq n ARG 10 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2kuq h ASP 11 N -1.86 0.00 1.57 0.55 3.58 -2.02 0.27 116.42 118.51 2kuq h ASP 11 Ca -0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2kuq h ASP 11 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2kuq h ASP 11 CO 0.55 0.00 0.00 -1.28 -2.88 0.00 0.00 179.24 175.63 2kuq h SER 12 N 0.00 0.00 -1.64 2.28 0.87 -1.95 -3.41 113.55 109.69 2kuq h SER 12 Ca 0.25 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 2kuq h SER 12 Cb 1.27 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.95 2kuq h SER 12 CO -0.00 0.00 -0.52 -0.69 -0.53 0.00 0.00 176.83 175.08 2kuq s VAL 13 N -3.35 -0.67 0.31 2.23 1.01 0.08 -5.16 120.40 114.87 2kuq s VAL 13 Ca 0.05 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2kuq s VAL 13 Cb 0.07 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 2kuq s VAL 13 CO 0.61 -0.26 1.19 -2.16 0.00 0.00 0.00 175.10 174.47 2kuq s PRO 14 N 2.57 4.46 0.55 2.72 0.04 -1.24 -4.82 135.00 139.28 2kuq s PRO 14 Ca 0.10 1.97 0.33 0.00 0.04 0.00 0.00 61.00 63.44 2kuq s PRO 14 Cb -0.12 -3.08 1.45 0.00 0.04 0.00 0.00 34.50 32.79 2kuq s PRO 14 CO -0.30 -0.01 2.02 -0.44 0.04 0.00 0.00 177.00 178.31 2kuq h ASP 15 N 3.50 0.00 -0.01 6.66 3.32 -1.89 -2.61 116.42 125.39 2kuq h ASP 15 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2kuq h ASP 15 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2kuq h ASP 15 CO 0.66 0.04 0.00 -0.46 -1.72 0.00 0.00 179.24 177.76 2kuq n ASN 16 N -3.18 0.60 -4.69 6.45 6.94 -1.26 -4.93 115.26 115.18 2kuq n ASN 16 Ca -0.00 -1.22 -0.43 0.00 -0.02 0.00 0.00 54.58 52.91 2kuq n ASN 16 Cb 0.29 -0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.67 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 2kuq n HIS 17 N -0.52 2.62 0.39 -2.53 -0.00 -0.99 -4.92 115.22 109.27 2kuq n HIS 17 Ca 0.21 -0.09 0.13 0.00 0.46 0.00 0.00 57.72 58.43 2kuq n HIS 17 Cb 0.21 -2.71 0.33 0.00 -0.12 0.00 0.00 29.99 27.69 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 8.12 0.00 0.00 1.57 0.13 -1.92 -3.38 132.00 136.52 2kuq h PRO 18 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kuq h PRO 18 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kuq h PRO 18 CO 0.95 0.00 -0.03 0.25 -0.23 0.00 0.00 178.00 178.94 2kuq n THR 19 N -2.73 0.00 -4.38 1.56 -2.24 -1.26 -5.05 114.28 100.18 2kuq n THR 19 Ca 0.04 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 2kuq n THR 19 Cb 0.45 0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 2kuq n THR 19 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kuq s LYS 20 N -0.39 3.42 -0.06 -0.78 2.20 -1.26 -1.93 119.74 120.94 2kuq s LYS 20 Ca 0.00 -0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 2kuq s LYS 20 Cb 0.00 -2.88 0.02 0.00 -1.51 0.00 0.00 37.83 33.46 2kuq s LYS 20 CO 0.00 0.42 0.16 -0.06 -0.36 0.00 0.00 175.35 175.50 2kuq s PHE 21 N -0.11 -0.17 0.26 4.03 0.08 -0.04 -4.80 117.98 117.23 2kuq s PHE 21 Ca 0.03 0.44 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 2kuq s PHE 21 Cb -0.13 0.03 -0.09 0.00 -0.57 0.00 0.00 43.02 42.26 2kuq s PHE 21 CO 0.02 -0.10 1.28 0.15 -0.10 0.00 0.00 175.22 176.47 2kuq s LYS 22 N 0.34 4.41 0.09 0.44 -0.14 -1.26 -0.64 119.74 122.97 2kuq s LYS 22 Ca -0.02 2.09 -0.06 0.00 -1.36 0.00 0.00 55.97 56.62 2kuq s LYS 22 Cb -0.03 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.95 2kuq s LYS 22 CO -0.01 -0.17 0.12 0.14 -0.76 0.00 0.00 175.35 174.67 2kuq s VAL 23 N -0.54 0.16 -0.05 3.17 -7.23 -0.43 -4.81 120.40 110.66 2kuq s VAL 23 Ca 0.52 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2kuq s VAL 23 Cb -0.37 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.09 2kuq s VAL 23 CO 0.44 -0.71 0.02 -0.89 -0.31 0.00 0.00 175.10 173.66 2kuq s THR 24 N -3.91 0.16 0.28 5.32 2.01 -1.15 -0.95 115.64 117.40 2kuq s THR 24 Ca 0.09 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 2kuq s THR 24 Cb 0.06 -0.35 -0.10 0.00 0.01 0.00 0.00 72.50 72.13 2kuq s THR 24 CO -0.08 0.21 1.29 0.21 -0.69 0.00 0.00 174.62 175.56 2kuq s ASN 25 N 1.91 6.86 0.04 3.53 3.84 -0.67 -0.78 114.94 129.67 2kuq s ASN 25 Ca 0.03 2.56 0.01 0.00 0.21 0.00 0.00 52.86 55.66 2kuq s ASN 25 Cb -0.12 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 37.92 2kuq s ASN 25 CO -0.04 -0.49 -0.05 0.68 -2.79 0.00 0.00 177.10 174.40 2kuq s VAL 26 N -0.71 0.35 1.20 -5.21 -7.23 -0.37 -1.90 120.40 106.53 2kuq s VAL 26 Ca 0.51 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.34 2kuq s VAL 26 Cb -0.38 -0.68 0.28 0.00 0.56 0.00 0.00 36.38 36.16 2kuq s VAL 26 CO 0.47 -0.54 1.05 -1.81 -0.31 0.00 0.00 175.10 173.95 2kuq s ASP 27 N -1.82 0.87 0.52 4.85 1.11 -1.12 -4.40 116.67 116.68 2kuq s ASP 27 Ca -0.08 1.00 0.35 0.00 0.18 0.00 0.00 52.55 54.00 2kuq s ASP 27 Cb -0.07 -1.50 1.84 0.00 1.07 0.00 0.00 42.92 44.27 2kuq s ASP 27 CO -0.02 -4.19 2.07 -2.24 1.18 0.00 0.00 175.17 171.97 2kuq h ASP 28 N -2.62 0.00 -0.09 0.27 2.03 -1.94 -1.18 116.42 112.88 2kuq h ASP 28 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2kuq h ASP 28 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2kuq h ASP 28 CO 0.43 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 178.02 2kuq n GLU 29 N -2.78 2.07 -0.81 4.15 1.02 -1.26 -4.94 120.64 118.09 2kuq n GLU 29 Ca -0.02 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 2kuq n GLU 29 Cb 0.10 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 1.29 0.58 3.67 0.62 0.00 -0.45 -5.02 105.19 105.87 2kuq n GLY 30 Ca 0.17 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 4.09 -0.10 1.61 1.01 -1.26 -4.77 120.40 118.98 2kuq s VAL 31 Ca 0.00 1.35 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 2kuq s VAL 31 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2kuq s VAL 31 CO 0.00 -0.09 1.58 -1.61 0.00 0.00 0.00 175.10 174.98 2kuq s GLU 32 N 3.32 4.13 -0.18 2.72 2.02 -1.26 -2.80 118.70 126.64 2kuq s GLU 32 Ca 0.59 2.01 -0.15 0.00 0.02 0.00 0.00 54.97 57.45 2kuq s GLU 32 Cb -0.25 -3.96 -0.07 0.00 0.10 0.00 0.00 34.13 29.96 2kuq s GLU 32 CO 0.19 -0.90 -0.24 1.28 0.02 0.00 0.00 175.26 175.61 2kuq n LEU 33 N 7.27 1.89 -3.56 1.80 4.77 -0.80 -4.64 117.00 123.72 2kuq n LEU 33 Ca 0.17 0.45 -0.16 0.00 -0.03 0.00 0.00 56.01 56.44 2kuq n LEU 33 Cb 0.43 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2kuq n LEU 33 CO 0.62 -0.21 0.47 -0.83 -1.33 0.00 0.00 177.39 176.10 2kuq s GLY 34 N -4.72 -0.53 0.40 -0.72 0.00 -1.25 -4.94 107.32 95.54 2kuq s GLY 34 Ca -0.25 1.64 -0.09 0.00 0.00 0.00 0.00 44.72 46.02 2kuq s GLY 34 CO 0.37 1.24 0.74 -1.35 0.00 0.00 0.00 173.10 174.11 2kuq s SER 35 N -0.64 6.48 0.30 1.64 1.04 -1.26 -1.68 113.70 119.58 2kuq s SER 35 Ca -0.06 1.05 -0.18 0.00 0.48 0.00 0.00 55.95 57.23 2kuq s SER 35 Cb -0.02 -2.29 0.06 0.00 0.10 0.00 0.00 66.02 63.88 2kuq s SER 35 CO 0.06 -0.39 0.90 -0.83 0.98 0.00 0.00 173.24 173.96 2kuq s GLY 36 N -3.25 0.27 -0.23 7.32 0.00 -0.13 -4.06 107.32 107.24 2kuq s GLY 36 Ca 0.50 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.65 2kuq s GLY 36 CO 0.32 0.86 -0.11 0.14 0.00 0.00 0.00 173.10 174.32 2kuq s VAL 37 N -2.23 1.85 0.24 1.40 1.01 -0.12 -1.31 120.40 121.25 2kuq s VAL 37 Ca 0.18 -1.27 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 2kuq s VAL 37 Cb -0.04 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 2kuq s VAL 37 CO 0.09 0.08 0.91 -0.32 0.00 0.00 0.00 175.10 175.86 2kuq s MET 38 N 1.28 4.74 -0.14 2.72 1.75 0.19 -1.09 119.30 128.74 2kuq s MET 38 Ca -0.04 1.38 -0.06 0.00 -1.25 0.00 0.00 55.69 55.72 2kuq s MET 38 Cb -0.18 -3.17 0.06 0.00 2.84 0.00 0.00 34.83 34.39 2kuq s MET 38 CO -0.07 0.48 0.31 -2.00 -0.65 0.00 0.00 175.02 173.09 2kuq s GLU 39 N -1.38 0.24 -0.36 4.11 2.12 0.21 -0.86 118.70 122.79 2kuq s GLU 39 Ca 0.42 0.73 -0.03 0.00 0.36 0.00 0.00 54.97 56.45 2kuq s GLU 39 Cb -0.24 -0.00 0.08 0.00 0.26 0.00 0.00 34.13 34.23 2kuq s GLU 39 CO 0.29 -0.21 0.11 -0.51 -0.54 0.00 0.00 175.26 174.40 2kuq s LEU 40 N 1.87 4.61 0.61 2.70 1.02 -0.81 -0.19 118.68 128.48 2kuq s LEU 40 Ca -0.05 -1.61 -0.01 0.00 0.02 0.00 0.00 54.13 52.48 2kuq s LEU 40 Cb -0.11 -1.79 0.05 0.00 0.02 0.00 0.00 46.19 44.36 2kuq s LEU 40 CO -0.10 -0.41 0.86 0.42 0.02 0.00 0.00 176.35 177.14 2kuq s THR 41 N 1.22 2.51 -1.12 5.49 -4.23 -0.95 -4.84 115.64 113.71 2kuq s THR 41 Ca 0.02 -0.58 0.19 0.00 -1.18 0.00 0.00 61.69 60.14 2kuq s THR 41 Cb -0.21 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 70.91 2kuq s THR 41 CO -0.02 0.00 1.61 1.67 -0.54 0.00 0.00 174.62 177.34 2kuq n GLN 42 N -2.53 0.08 -0.11 3.99 7.27 -1.26 -3.81 117.38 121.01 2kuq n GLN 42 Ca 0.09 0.16 -0.24 0.00 0.07 0.00 0.00 57.00 57.08 2kuq n GLN 42 Cb 0.60 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.63 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 -1.44 1.97 -3.57 1.69 7.64 -1.26 -5.08 113.62 113.57 2kuq n SER 43 Ca 0.06 0.23 -0.06 0.00 1.01 0.00 0.00 58.87 60.10 2kuq n SER 43 Cb 0.20 -0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 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 -2.49 1.76 0.06 1.43 1.03 -1.25 -4.57 118.70 114.68 2kuq s GLU 44 Ca -0.33 -1.03 -0.30 0.00 0.03 0.00 0.00 54.97 53.34 2kuq s GLU 44 Cb 0.10 0.56 -0.05 0.00 -0.80 0.00 0.00 34.13 33.94 2kuq s GLU 44 CO 0.59 -0.81 0.98 -1.17 -1.33 0.00 0.00 175.26 173.51 2kuq s LEU 45 N -3.00 4.44 0.01 1.83 0.20 -0.47 -2.25 118.68 119.45 2kuq s LEU 45 Ca 0.13 1.75 0.06 0.00 0.69 0.00 0.00 54.13 56.76 2kuq s LEU 45 Cb -0.05 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.11 2kuq s LEU 45 CO 0.07 -0.16 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.09 2kuq s VAL 46 N 0.45 1.53 -0.10 1.68 1.01 0.74 -0.96 120.40 124.75 2kuq s VAL 46 Ca 0.49 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2kuq s VAL 46 Cb -0.23 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2kuq s VAL 46 CO 0.29 0.30 -0.07 -0.22 0.00 0.00 0.00 175.10 175.40 2kuq s LEU 47 N -0.79 1.20 -0.32 3.92 0.20 -0.02 -0.61 118.68 122.26 2kuq s LEU 47 Ca 0.07 -0.28 -0.16 0.00 0.69 0.00 0.00 54.13 54.45 2kuq s LEU 47 Cb -0.08 -0.79 -0.02 0.00 -0.43 0.00 0.00 46.19 44.87 2kuq s LEU 47 CO 0.00 -0.10 0.41 -1.00 -0.29 0.00 0.00 176.35 175.37 2kuq s HIS 48 N 1.56 3.22 -0.12 5.38 3.76 -0.25 -0.73 115.29 128.11 2kuq s HIS 48 Ca 0.02 0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 55.07 2kuq s HIS 48 Cb -0.13 -2.70 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 2kuq s HIS 48 CO -0.06 -0.39 0.06 -0.51 -0.85 0.00 0.00 174.74 172.99 2kuq s LEU 49 N 2.14 3.88 0.20 0.89 2.01 -1.26 -0.94 118.68 125.59 2kuq s LEU 49 Ca 0.15 0.23 -0.31 0.00 0.01 0.00 0.00 54.13 54.21 2kuq s LEU 49 Cb -0.16 -1.93 -0.10 0.00 0.01 0.00 0.00 46.19 44.02 2kuq s LEU 49 CO 0.11 0.34 1.46 -2.28 1.01 0.00 0.00 176.35 176.99 2kuq s HIS 50 N -0.62 3.09 -1.76 0.29 5.65 -1.26 -3.16 115.29 117.53 2kuq s HIS 50 Ca 0.11 0.91 0.00 0.00 0.25 0.00 0.00 55.06 56.33 2kuq s HIS 50 Cb -0.12 -3.81 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 2kuq s HIS 50 CO 0.02 -2.79 0.00 -2.13 -0.65 0.00 0.00 174.74 169.20 2kuq n ARG 51 N 3.12 -1.47 -3.98 2.88 0.00 -1.26 -4.96 116.66 110.99 2kuq n ARG 51 Ca 0.10 1.00 -0.10 0.00 -0.00 0.00 0.00 57.85 58.85 2kuq n ARG 51 Cb 0.40 -5.49 -0.06 0.00 0.00 0.00 0.00 32.46 27.31 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 -4.55 1.38 0.75 -0.14 0.52 -1.19 -5.17 118.95 110.54 2kuq s ARG 52 Ca 0.00 -1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 53.87 2kuq s ARG 52 Cb 0.00 0.43 0.04 0.00 0.52 0.00 0.00 34.95 35.94 2kuq s ARG 52 CO 0.00 -0.54 1.08 -1.83 0.02 0.00 0.00 175.30 174.03 2kuq s GLU 53 N -4.00 2.43 0.24 3.54 -1.05 -1.26 -4.63 118.70 113.96 2kuq s GLU 53 Ca 0.21 1.12 -0.24 0.00 -0.15 0.00 0.00 54.97 55.91 2kuq s GLU 53 Cb 0.01 -1.92 -0.09 0.00 -0.44 0.00 0.00 34.13 31.70 2kuq s GLU 53 CO 0.05 -1.51 0.83 0.00 0.95 0.00 0.00 175.26 175.59 2kuq s ALA 54 N -2.92 3.35 -0.11 -0.84 0.00 -1.26 -4.10 121.76 115.87 2kuq s ALA 54 Ca 0.61 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.97 2kuq s ALA 54 Cb -0.16 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 2kuq s ALA 54 CO 0.55 0.26 -0.18 0.08 0.00 0.00 0.00 175.76 176.47 2kuq s VAL 55 N -1.41 2.65 -0.08 0.00 1.01 0.09 -4.96 120.40 117.70 2kuq s VAL 55 Ca 0.43 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2kuq s VAL 55 Cb -0.20 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2kuq s VAL 55 CO 0.24 0.54 -0.17 -0.13 0.00 0.00 0.00 175.10 175.59 2kuq s ARG 56 N 0.27 2.79 -0.22 2.72 0.52 -1.26 -0.84 118.95 122.93 2kuq s ARG 56 Ca -0.12 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2kuq s ARG 56 Cb -0.16 -2.39 0.06 0.00 0.52 0.00 0.00 34.95 32.98 2kuq s ARG 56 CO 0.07 0.42 -0.01 -1.58 0.02 0.00 0.00 175.30 174.21 2kuq s TRP 57 N -0.22 1.81 0.31 -0.53 0.51 -0.13 -4.16 118.94 116.53 2kuq s TRP 57 Ca -0.00 -1.37 -0.29 0.00 -2.12 0.00 0.00 56.10 52.31 2kuq s TRP 57 Cb -0.13 -1.34 -0.10 0.00 -0.81 0.00 0.00 33.47 31.08 2kuq s TRP 57 CO 0.03 -0.71 1.37 -1.25 -0.51 0.00 0.00 176.95 175.88 2kuq s PRO 58 N 1.59 4.30 0.48 4.98 0.04 -1.26 -1.36 135.00 143.76 2kuq s PRO 58 Ca -0.04 2.29 0.16 0.00 0.04 0.00 0.00 61.00 63.45 2kuq s PRO 58 Cb -0.18 -3.07 1.12 0.00 0.04 0.00 0.00 34.50 32.42 2kuq s PRO 58 CO -0.07 -0.30 2.05 1.88 0.04 0.00 0.00 177.00 180.60 2kuq h TYR 59 N 3.79 0.00 0.00 0.56 0.05 -1.94 -0.55 116.97 118.88 2kuq h TYR 59 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2kuq h TYR 59 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2kuq h TYR 59 CO 0.57 0.12 0.00 1.37 -1.05 0.00 0.00 178.16 179.17 2kuq h LEU 60 N 0.00 0.00 -1.93 3.88 -0.00 -1.94 -2.41 115.31 112.91 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 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 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 -1.35 5.24 0.27 0.00 1.43 -0.91 -1.13 118.68 122.23 2kuq s LEU 62 Ca 0.37 -1.08 0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2kuq s LEU 62 Cb 0.20 -2.33 0.15 0.00 0.03 0.00 0.00 46.19 44.25 2kuq s LEU 62 CO 0.28 -0.77 1.48 0.03 0.23 0.00 0.00 176.35 177.60 2kuq h ARG 63 N 8.88 0.00 -2.07 1.70 3.08 -1.86 -3.40 114.38 120.72 2kuq h ARG 63 Ca -0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 2kuq h ARG 63 Cb 1.10 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.97 2kuq h ARG 63 CO 0.92 0.56 0.31 -0.98 -1.07 0.00 0.00 179.97 179.70 2kuq s ARG 64 N -3.06 0.96 -0.02 0.04 1.70 -1.26 -4.33 118.95 112.97 2kuq s ARG 64 Ca 0.03 0.07 -0.18 0.00 -0.47 0.00 0.00 55.73 55.18 2kuq s ARG 64 Cb 0.09 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 34.95 2kuq s ARG 64 CO 0.74 -0.33 0.39 1.52 -1.08 0.00 0.00 175.30 176.55 2kuq s TYR 65 N -1.72 -0.28 0.29 5.89 -0.85 -0.75 -1.06 117.35 118.87 2kuq s TYR 65 Ca -0.06 0.44 -0.20 0.00 -0.52 0.00 0.00 57.07 56.73 2kuq s TYR 65 Cb -0.00 0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.54 2kuq s TYR 65 CO 0.03 -0.45 0.77 0.20 -1.52 0.00 0.00 175.55 174.58 2kuq s GLY 66 N -1.34 0.01 -0.07 5.49 0.00 0.23 -0.69 107.32 110.95 2kuq s GLY 66 Ca -0.13 -0.38 -0.24 0.00 0.00 0.00 0.00 44.72 43.98 2kuq s GLY 66 CO 0.05 -0.07 0.54 -2.52 0.00 0.00 0.00 173.10 171.10 2kuq s TYR 67 N -3.43 -0.49 0.40 1.90 1.13 -0.85 -1.07 117.35 114.95 2kuq s TYR 67 Ca 0.12 0.90 0.01 0.00 -1.41 0.00 0.00 57.07 56.69 2kuq s TYR 67 Cb -0.05 0.27 -0.00 0.00 -1.10 0.00 0.00 41.96 41.08 2kuq s TYR 67 CO 0.08 -0.48 0.02 -3.47 -2.51 0.00 0.00 175.55 169.18 2kuq n ASP 68 N 1.35 2.83 0.32 -0.18 -0.08 0.47 -3.71 116.55 117.56 2kuq n ASP 68 Ca -0.19 -2.81 0.20 0.00 -1.51 0.00 0.00 54.79 50.48 2kuq n ASP 68 Cb 0.56 0.38 1.10 0.00 2.34 0.00 0.00 41.12 45.51 2kuq n ASP 68 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2kuq h SER 69 N 1.05 0.00 0.00 1.67 0.02 -1.99 -3.02 113.55 111.28 2kuq h SER 69 Ca -0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2kuq h SER 69 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2kuq h SER 69 CO 0.54 0.00 -0.37 0.59 -1.14 0.00 0.00 176.83 176.46 2kuq n ASN 70 N -3.33 0.00 -3.83 3.07 4.13 -1.26 -4.84 115.26 109.20 2kuq n ASN 70 Ca -0.03 -1.73 -0.12 0.00 1.68 0.00 0.00 54.58 54.38 2kuq n ASN 70 Cb 0.09 -0.15 -0.12 0.00 -1.54 0.00 0.00 39.78 38.06 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 1.47 -0.07 3.41 2.96 -1.14 -1.29 118.68 124.02 2kuq s LEU 71 Ca 0.00 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2kuq s LEU 71 Cb 0.00 0.50 0.02 0.00 0.50 0.00 0.00 46.19 47.21 2kuq s LEU 71 CO -0.00 -0.08 -0.09 0.12 -1.32 0.00 0.00 176.35 174.97 2kuq s PHE 72 N -0.07 1.28 0.04 5.38 5.36 -0.04 -0.39 117.98 129.54 2kuq s PHE 72 Ca -0.01 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 2kuq s PHE 72 Cb -0.02 -1.00 -0.03 0.00 -0.34 0.00 0.00 43.02 41.64 2kuq s PHE 72 CO 0.00 -0.29 -0.05 0.45 -1.46 0.00 0.00 175.22 173.87 2kuq s SER 73 N 0.91 0.54 0.01 6.13 0.15 -0.23 -0.85 113.70 120.35 2kuq s SER 73 Ca -0.10 -0.63 -0.25 0.00 0.70 0.00 0.00 55.95 55.66 2kuq s SER 73 Cb -0.15 0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.31 2kuq s SER 73 CO 0.01 -0.33 0.57 0.72 1.20 0.00 0.00 173.24 175.41 2kuq s PHE 74 N -1.98 -0.50 -0.09 3.44 -0.12 -0.85 -0.60 117.98 117.28 2kuq s PHE 74 Ca -0.08 0.71 -0.06 0.00 -0.05 0.00 0.00 56.93 57.45 2kuq s PHE 74 Cb -0.06 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 2kuq s PHE 74 CO -0.02 -0.62 0.16 -2.00 -0.05 0.00 0.00 175.22 172.69 2kuq s GLU 75 N -1.89 3.45 0.05 1.99 -6.30 -0.23 -1.66 118.70 114.10 2kuq s GLU 75 Ca -0.08 -0.17 0.07 0.00 -2.50 0.00 0.00 54.97 52.29 2kuq s GLU 75 Cb -0.01 -3.16 -0.03 0.00 0.00 0.00 0.00 34.13 30.93 2kuq s GLU 75 CO 0.03 0.75 -0.19 -1.54 0.02 0.00 0.00 175.26 174.32 2kuq s SER 76 N -1.28 2.31 0.78 -1.70 1.04 -0.15 -3.48 113.70 111.22 2kuq s SER 76 Ca 0.19 -0.52 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 2kuq s SER 76 Cb -0.12 -0.18 0.09 0.00 0.10 0.00 0.00 66.02 65.90 2kuq s SER 76 CO 0.08 0.13 1.11 -0.83 0.98 0.00 0.00 173.24 174.71 2kuq s GLY 77 N -1.23 1.66 0.65 7.32 0.00 -0.29 -2.31 107.32 113.13 2kuq s GLY 77 Ca 0.06 -0.88 0.39 0.00 0.00 0.00 0.00 44.72 44.30 2kuq s GLY 77 CO 0.02 -0.39 2.21 -0.09 0.00 0.00 0.00 173.10 174.85 2kuq h ARG 78 N -0.90 0.00 -0.18 2.90 9.65 -1.91 -3.06 114.38 120.88 2kuq h ARG 78 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2kuq h ARG 78 Cb 1.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2kuq h ARG 78 CO 0.59 0.00 0.00 0.54 2.80 0.00 0.00 179.97 183.90 2kuq n ARG 79 N -2.98 1.80 -1.89 0.20 5.12 -1.26 -4.37 116.66 113.28 2kuq n ARG 79 Ca -0.03 -1.77 -0.22 0.00 -1.93 0.00 0.00 57.85 53.91 2kuq n ARG 79 Cb 0.16 -1.35 0.14 0.00 -1.16 0.00 0.00 32.46 30.25 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 0.00 0.20 -0.01 0.00 4.15 -1.91 -2.85 115.11 114.68 2kuq h GLN 81 Ca -0.32 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2kuq h GLN 81 Cb 0.99 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.65 2kuq h GLN 81 CO 0.27 0.21 -0.48 0.25 -1.93 0.00 0.00 178.83 177.15 2kuq n THR 82 N -4.43 0.00 -2.79 2.39 -2.24 -1.26 -5.09 114.28 100.86 2kuq n THR 82 Ca -0.01 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.53 2kuq n THR 82 Cb 0.15 1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.39 -1.94 3.75 3.38 0.00 -1.08 -4.91 105.19 105.78 2kuq n GLY 83 Ca 0.09 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 2kuq n GLY 83 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kuq s GLN 84 N -0.50 2.59 0.00 1.61 0.00 -1.17 -4.63 119.66 117.56 2kuq s GLN 84 Ca 0.00 1.63 0.00 0.00 -0.00 0.00 0.00 55.36 56.99 2kuq s GLN 84 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 33.01 31.11 2kuq s GLN 84 CO 0.00 -1.46 0.00 0.41 0.00 0.00 0.00 175.29 174.24 2kuq n GLY 85 N 0.07 1.87 2.74 2.60 0.00 -0.98 -4.97 105.19 106.53 2kuq n GLY 85 Ca 0.12 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.01 -0.02 -0.61 1.01 -1.26 -0.98 121.20 117.33 2kuq s ILE 86 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2kuq s ILE 86 Cb 0.00 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2kuq s ILE 86 CO 0.00 0.14 -0.15 -0.36 0.00 0.00 0.00 174.94 174.57 2kuq s PHE 87 N 1.54 1.42 0.02 3.97 0.08 -0.67 -1.18 117.98 123.16 2kuq s PHE 87 Ca -0.03 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 56.78 2kuq s PHE 87 Cb -0.13 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.38 2kuq s PHE 87 CO -0.03 -0.05 -0.16 0.00 -0.10 0.00 0.00 175.22 174.88 2kuq s ALA 88 N -0.28 1.36 -0.01 5.36 0.00 -1.26 -2.00 121.76 124.93 2kuq s ALA 88 Ca 0.04 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2kuq s ALA 88 Cb -0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2kuq s ALA 88 CO -0.00 0.29 -0.05 -0.06 0.00 0.00 0.00 175.76 175.94 2kuq s PHE 89 N -0.68 0.46 -0.21 0.00 0.40 -0.03 -1.23 117.98 116.68 2kuq s PHE 89 Ca 0.04 -0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 2kuq s PHE 89 Cb -0.07 -0.31 -0.05 0.00 0.51 0.00 0.00 43.02 43.09 2kuq s PHE 89 CO 0.01 -0.02 0.12 0.21 0.70 0.00 0.00 175.22 176.24 2kuq s LYS 90 N -0.02 4.06 -0.29 0.44 2.20 0.04 -0.86 119.74 125.31 2kuq s LYS 90 Ca 0.01 -0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.11 2kuq s LYS 90 Cb -0.03 -3.41 0.16 0.00 -1.51 0.00 0.00 37.83 33.04 2kuq s LYS 90 CO -0.00 0.18 1.17 0.00 -0.36 0.00 0.00 175.35 176.34 2kuq h SER 92 N 4.34 0.00 -0.44 0.00 4.64 -1.89 -2.98 113.55 117.22 2kuq h SER 92 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2kuq h SER 92 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kuq h SER 92 CO 0.16 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.67 2kuq n ARG 93 N -3.12 2.58 -0.29 4.77 1.74 -1.26 -4.53 116.66 116.56 2kuq n ARG 93 Ca -0.00 -1.81 0.18 0.00 -0.77 0.00 0.00 57.85 55.45 2kuq n ARG 93 Cb 0.24 -1.59 0.46 0.00 -1.02 0.00 0.00 32.46 30.55 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 3.66 2.06 -0.58 7.54 0.00 -1.85 -1.61 119.26 128.49 2kuq h ALA 94 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kuq h ALA 94 Cb 0.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2kuq h ALA 94 CO 0.11 -0.39 0.09 1.49 0.00 0.00 0.00 179.25 180.55 2kuq h GLU 95 N 0.51 0.97 -0.55 0.00 4.22 -1.85 -1.26 114.58 116.62 2kuq h GLU 95 Ca 0.52 -0.26 -0.10 0.00 0.08 0.00 0.00 59.36 59.59 2kuq h GLU 95 Cb 1.14 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2kuq h GLU 95 CO -0.25 0.92 -0.06 0.93 -2.18 0.00 0.00 179.01 178.38 2kuq h GLU 96 N 0.86 0.99 -0.26 1.92 5.08 -1.66 -1.56 114.58 119.95 2kuq h GLU 96 Ca 0.18 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2kuq h GLU 96 Cb 0.43 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kuq h GLU 96 CO 0.01 1.00 0.03 0.82 -1.00 0.00 0.00 179.01 179.88 2kuq h ILE 97 N 0.89 1.24 -0.65 3.13 2.04 -1.32 -0.88 117.51 121.96 2kuq h ILE 97 Ca 0.15 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.24 2kuq h ILE 97 Cb 0.60 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2kuq h ILE 97 CO 0.04 0.26 0.39 0.15 0.00 0.00 0.00 178.15 178.99 2kuq h PHE 98 N 0.24 0.73 -0.05 1.37 3.57 -1.14 -0.40 116.94 121.26 2kuq h PHE 98 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2kuq h PHE 98 Cb 0.35 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2kuq h PHE 98 CO 0.02 0.41 0.01 -0.91 -2.23 0.00 0.00 178.31 175.61 2kuq h ASN 99 N 0.76 0.08 -0.85 0.41 2.35 -1.20 -2.72 115.58 114.42 2kuq h ASN 99 Ca 0.27 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2kuq h ASN 99 Cb 0.05 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 2kuq h ASN 99 CO -0.12 0.29 0.56 0.25 -1.65 0.00 0.00 177.43 176.76 2kuq h LEU 100 N -0.13 0.99 0.04 1.61 5.85 -0.96 -0.86 115.31 121.84 2kuq h LEU 100 Ca 0.02 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kuq h LEU 100 Cb 0.24 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2kuq h LEU 100 CO 0.00 0.72 -0.03 0.25 -0.34 0.00 0.00 178.44 179.04 2kuq h LEU 101 N 1.16 -0.09 -0.93 2.25 5.85 -1.02 -1.37 115.31 121.15 2kuq h LEU 101 Ca 0.31 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 2kuq h LEU 101 Cb -0.12 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2kuq h LEU 101 CO -0.07 -0.06 -0.44 0.06 -0.34 0.00 0.00 178.44 177.60 2kuq h GLN 102 N -0.08 0.20 -0.60 1.25 3.07 -1.15 -2.18 115.11 115.61 2kuq h GLN 102 Ca 0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 58.65 58.59 2kuq h GLN 102 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.61 2kuq h GLN 102 CO -0.01 0.61 0.18 -0.44 0.09 0.00 0.00 178.83 179.26 2kuq h ASP 103 N 0.16 0.88 0.91 0.06 3.32 -0.96 -1.12 116.42 119.67 2kuq h ASP 103 Ca 0.01 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 2kuq h ASP 103 Cb 0.85 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2kuq h ASP 103 CO 0.07 0.86 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.90 2kuq h LEU 104 N 0.86 0.00 -0.17 1.55 3.38 -1.17 -2.47 115.31 117.29 2kuq h LEU 104 Ca 0.19 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.94 2kuq h LEU 104 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2kuq h LEU 104 CO -0.00 0.48 -0.86 0.24 0.09 0.00 0.00 178.44 178.38 2kuq h MET 105 N 0.00 0.65 0.01 1.13 2.86 -1.15 -3.32 114.93 115.11 2kuq h MET 105 Ca -0.00 -0.59 -0.20 0.00 -2.06 0.00 0.00 59.70 56.84 2kuq h MET 105 Cb 1.06 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 2kuq h MET 105 CO 0.06 1.20 -0.91 -0.56 1.06 0.00 0.00 176.91 177.76 2kuq h GLN 106 N 0.41 0.15 -4.55 1.72 3.07 -1.19 -3.48 115.11 111.24 2kuq h GLN 106 Ca -0.07 -0.18 -0.15 0.00 0.09 0.00 0.00 58.65 58.33 2kuq h GLN 106 Cb 1.49 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 29.08 2kuq h GLN 106 CO 0.17 0.96 -0.21 0.00 0.09 0.00 0.00 178.83 179.84 2kuq s ASN 108 N -2.10 0.13 -1.42 0.00 2.47 -1.26 -4.90 114.94 107.87 2kuq s ASN 108 Ca 0.05 -0.24 -0.02 0.00 0.42 0.00 0.00 52.86 53.07 2kuq s ASN 108 Cb -0.03 0.05 0.01 0.00 -1.45 0.00 0.00 41.25 39.83 2kuq s ASN 108 CO 0.06 -0.14 0.47 -1.54 -3.72 0.00 0.00 177.10 172.23 2kuq n SER 109 N 2.37 -0.63 -4.58 -4.21 3.41 -1.26 -4.78 113.62 103.94 2kuq n SER 109 Ca -0.18 -0.99 -0.49 0.00 -0.26 0.00 0.00 58.87 56.96 2kuq n SER 109 Cb 0.58 -3.11 -0.05 0.00 -0.26 0.00 0.00 64.21 61.37 2kuq n SER 109 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2kuq n ILE 110 N -4.40 0.38 -3.46 -1.33 -0.00 -1.26 -4.95 119.36 104.35 2kuq n ILE 110 Ca -0.28 -0.23 -0.42 0.00 -0.00 0.00 0.00 62.75 61.82 2kuq n ILE 110 Cb 0.67 -1.91 -0.10 0.00 -0.00 0.00 0.00 39.64 38.30 2kuq n ILE 110 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2kuq s ASN 111 N 6.07 6.11 -0.09 4.38 3.84 -1.26 -4.92 114.94 129.07 2kuq s ASN 111 Ca 1.01 -0.59 0.17 0.00 0.21 0.00 0.00 52.86 53.65 2kuq s ASN 111 Cb -0.69 -2.17 0.36 0.00 -0.55 0.00 0.00 41.25 38.20 2kuq s ASN 111 CO 0.48 -0.37 1.17 1.33 -2.79 0.00 0.00 177.10 176.92 2kuq n VAL 112 N 5.18 1.03 -1.00 -5.21 0.24 -1.26 -5.10 118.33 112.22 2kuq n VAL 112 Ca -0.11 -1.86 -0.31 0.00 -2.04 0.00 0.00 64.34 60.03 2kuq n VAL 112 Cb 0.48 0.34 0.13 0.00 -1.47 0.00 0.00 33.84 33.32 2kuq n VAL 112 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2kuq s MET 113 N -1.52 1.63 -0.34 7.34 -1.94 -1.26 -4.95 119.30 118.26 2kuq s MET 113 Ca 0.31 1.33 -0.29 0.00 -1.71 0.00 0.00 55.69 55.33 2kuq s MET 113 Cb 0.32 -1.81 -0.01 0.00 2.01 0.00 0.00 34.83 35.34 2kuq s MET 113 CO -0.09 -2.13 1.66 -1.21 -0.01 0.00 0.00 175.02 173.24 2kuq s GLU 114 N -4.79 3.47 0.10 2.03 2.02 -1.26 -5.01 118.70 115.27 2kuq s GLU 114 Ca 0.64 1.32 0.04 0.00 0.02 0.00 0.00 54.97 56.99 2kuq s GLU 114 Cb -0.20 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 29.87 2kuq s GLU 114 CO 0.57 -1.69 0.10 -1.21 0.02 0.00 0.00 175.26 173.04 2kuq s GLU 115 N 5.31 2.90 0.62 1.61 0.41 -1.26 -5.12 118.70 123.17 2kuq s GLU 115 Ca 0.73 -0.74 -0.15 0.00 -0.41 0.00 0.00 54.97 54.41 2kuq s GLU 115 Cb -0.20 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.42 2kuq s GLU 115 CO 0.33 0.54 1.07 -1.25 -0.49 0.00 0.00 175.26 175.46 2kuq s PRO 116 N -2.60 3.15 -0.02 0.39 0.04 -1.26 -5.08 135.00 129.62 2kuq s PRO 116 Ca 0.30 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2kuq s PRO 116 Cb -0.12 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.44 2kuq s PRO 116 CO 0.22 -0.94 0.02 0.08 0.04 0.00 0.00 177.00 176.42 2kuq s VAL 117 N -2.55 -0.01 -0.33 -0.36 1.01 -1.26 -5.14 120.40 111.76 2kuq s VAL 117 Ca 0.63 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 2kuq s VAL 117 Cb -0.16 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.16 2kuq s VAL 117 CO 0.41 0.08 0.07 -0.63 0.00 0.00 0.00 175.10 175.04 2kuq s ILE 118 N 0.86 3.56 -0.08 2.22 1.09 -1.26 -5.09 121.20 122.50 2kuq s ILE 118 Ca -0.07 -1.20 -0.29 0.00 -1.10 0.00 0.00 60.65 57.98 2kuq s ILE 118 Cb -0.11 -3.02 -0.02 0.00 -1.06 0.00 0.00 42.46 38.25 2kuq s ILE 118 CO -0.02 -0.16 0.99 -0.63 -0.10 0.00 0.00 174.94 175.02 2kuq s ILE 119 N 1.36 4.81 0.02 2.92 -1.09 -1.26 -5.04 121.20 122.92 2kuq s ILE 119 Ca -0.03 2.03 0.02 0.00 -2.23 0.00 0.00 60.65 60.44 2kuq s ILE 119 Cb -0.20 -4.31 -0.01 0.00 -1.58 0.00 0.00 42.46 36.36 2kuq s ILE 119 CO 0.02 0.05 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.82 2kuq s THR 120 N 1.73 0.48 -0.05 2.92 2.01 -1.26 -5.16 115.64 116.31 2kuq s THR 120 Ca 0.49 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 2kuq s THR 120 Cb -0.19 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.87 2kuq s THR 120 CO 0.20 -0.11 0.02 -0.55 -0.69 0.00 0.00 174.62 173.49 2kuq s SER 121 N -0.80 1.09 0.00 3.53 0.15 -1.26 -5.07 113.70 111.34 2kuq s SER 121 Ca -0.03 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2kuq s SER 121 Cb -0.06 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2kuq s SER 121 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2kuq n GLY 122 N 4.85 2.43 3.86 9.45 0.00 -1.26 -5.14 105.19 119.39 2kuq n GLY 122 Ca -0.12 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.87 5.87 -0.14 1.61 0.01 -1.26 -5.10 113.70 113.83 2kuq s SER 123 Ca 0.00 1.38 -0.04 0.00 1.31 0.00 0.00 55.95 58.59 2kuq s SER 123 Cb 0.00 -2.33 0.07 0.00 0.21 0.00 0.00 66.02 63.96 2kuq s SER 123 CO 0.00 -1.10 0.25 -0.55 0.41 0.00 0.00 173.24 172.25 2kuq s SER 124 N -4.16 0.52 0.41 2.44 0.15 -1.26 -5.17 113.70 106.63 2kuq s SER 124 Ca 0.56 0.46 0.08 0.00 0.70 0.00 0.00 55.95 57.75 2kuq s SER 124 Cb -0.12 0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2kuq s SER 124 CO 0.54 -0.25 0.38 -0.83 1.20 0.00 0.00 173.24 174.27 2kuq s GLY 125 N 2.40 2.09 0.26 9.45 0.00 -1.26 -5.11 107.32 115.15 2kuq s GLY 125 Ca 0.02 -1.86 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 2kuq s GLY 125 CO -0.09 -1.68 1.35 -0.56 0.00 0.00 0.00 173.10 172.12 2kuq s SER 126 N -4.12 6.79 -1.36 1.64 0.01 -1.26 -4.94 113.70 110.45 2kuq s SER 126 Ca 0.48 2.57 -0.16 0.00 1.31 0.00 0.00 55.95 60.15 2kuq s SER 126 Cb -0.04 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.61 2kuq s SER 126 CO 0.28 -0.58 2.01 -1.54 0.41 0.00 0.00 173.24 173.82 2kuq n SER 127 N 1.95 4.25 0.00 2.44 3.41 -1.26 -4.77 113.62 119.64 2kuq n SER 127 Ca 0.04 -2.86 0.14 0.00 -0.26 0.00 0.00 58.87 55.93 2kuq n SER 127 Cb 0.42 -1.68 0.70 0.00 -0.26 0.00 0.00 64.21 63.38 2kuq n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kuq n GLY 128 N 4.70 -1.35 3.75 5.00 0.00 -1.26 -4.79 105.19 111.23 2kuq n GLY 128 Ca 0.50 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.73 7.40 0.04 1.61 0.15 -1.26 -5.07 113.70 113.84 2kuq s SER 129 Ca 0.23 1.66 -0.27 0.00 0.70 0.00 0.00 55.95 58.27 2kuq s SER 129 Cb 0.20 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 62.06 2kuq s SER 129 CO 0.48 0.04 0.74 -0.44 1.20 0.00 0.00 173.24 175.26 2kuq s SER 130 N -0.39 -0.51 0.00 5.45 0.01 -1.26 -4.91 113.70 112.10 2kuq s SER 130 Ca 0.41 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2kuq s SER 130 Cb -0.23 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2kuq s SER 130 CO 0.27 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2kuq n GLY 131 N -0.00 -0.67 3.77 3.44 0.00 -1.26 -5.14 105.19 105.32 2kuq n GLY 131 Ca -0.14 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 2kuq n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 132 N -4.00 6.60 -0.03 1.61 0.15 -1.26 -5.02 113.70 111.75 2kuq s SER 132 Ca 0.00 2.45 -0.24 0.00 0.70 0.00 0.00 55.95 58.86 2kuq s SER 132 Cb 0.00 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 2kuq s SER 132 CO 0.00 -0.63 0.74 -0.44 1.20 0.00 0.00 173.24 174.11 2kuq s SER 133 N -0.92 7.08 0.00 5.45 0.01 -1.26 -4.96 113.70 119.09 2kuq s SER 133 Ca 0.54 1.29 0.00 0.00 1.31 0.00 0.00 55.95 59.10 2kuq s SER 133 Cb -0.34 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2kuq s SER 133 CO 0.43 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2kuq n GLY 134 N 2.91 -0.72 3.16 3.44 0.00 -1.26 -5.16 105.19 107.55 2kuq n GLY 134 Ca -0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 2.11 -0.01 0.99 1.43 -1.26 -4.97 118.68 116.97 2kuq s LEU 135 Ca 0.00 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 2kuq s LEU 135 Cb 0.00 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2kuq s LEU 135 CO 0.00 0.12 1.12 0.12 0.23 0.00 0.00 176.35 177.94 2kuq s PHE 136 N -0.64 3.42 -0.34 0.29 2.19 -1.26 -5.03 117.98 116.61 2kuq s PHE 136 Ca 0.04 1.41 -0.17 0.00 0.33 0.00 0.00 56.93 58.54 2kuq s PHE 136 Cb -0.07 -3.32 -0.01 0.00 -1.31 0.00 0.00 43.02 38.31 2kuq s PHE 136 CO 0.01 -0.85 0.46 1.03 1.83 0.00 0.00 175.22 177.70 2kuq s ARG 137 N 1.56 3.67 0.37 10.12 3.00 -1.26 -4.48 118.95 131.92 2kuq s ARG 137 Ca 0.55 -0.18 -0.26 0.00 0.00 0.00 0.00 55.73 55.84 2kuq s ARG 137 Cb -0.24 -3.79 -0.09 0.00 0.00 0.00 0.00 34.95 30.83 2kuq s ARG 137 CO 0.25 -0.57 1.10 -0.51 0.00 0.00 0.00 175.30 175.57 2kuq s LEU 138 N 2.27 4.27 0.19 2.53 1.43 -0.33 -4.95 118.68 124.09 2kuq s LEU 138 Ca 0.17 2.19 -0.06 0.00 -1.03 0.00 0.00 54.13 55.40 2kuq s LEU 138 Cb -0.16 -3.99 0.12 0.00 0.03 0.00 0.00 46.19 42.19 2kuq s LEU 138 CO 0.12 -0.45 1.57 0.03 0.23 0.00 0.00 176.35 177.85 2kuq h ARG 139 N 2.89 0.78 0.00 1.70 2.47 -1.98 -3.42 114.38 116.83 2kuq h ARG 139 Ca -0.48 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 57.88 2kuq h ARG 139 Cb 1.22 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2kuq h ARG 139 CO 0.64 0.99 0.00 0.72 0.56 0.00 0.00 179.97 182.87 2kuq n HIS 140 N -4.08 0.00 -3.64 3.04 8.25 -1.26 -5.13 115.22 112.40 2kuq n HIS 140 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 2kuq n HIS 140 Cb 0.49 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 2kuq n HIS 140 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2kuq s PHE 141 N 1.29 -1.14 -0.03 4.41 5.36 -1.26 -4.98 117.98 121.62 2kuq s PHE 141 Ca 0.00 2.18 0.12 0.00 -0.96 0.00 0.00 56.93 58.27 2kuq s PHE 141 Cb 0.00 0.69 -0.20 0.00 -0.34 0.00 0.00 43.02 43.17 2kuq s PHE 141 CO 0.00 -0.57 0.86 -1.00 -1.46 0.00 0.00 175.22 173.05 2kuq h PRO 142 N 7.29 0.00 -6.71 10.12 0.13 -1.99 -3.47 132.00 137.37 2kuq h PRO 142 Ca -0.26 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.36 2kuq h PRO 142 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kuq h PRO 142 CO 0.14 0.57 0.40 0.00 -0.23 0.00 0.00 178.00 178.88 2kuq n GLY 144 N 1.68 -0.65 2.94 0.00 0.00 -1.26 -4.74 105.19 103.16 2kuq n GLY 144 Ca -0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2kuq n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kuq s ASN 145 N -1.70 1.11 -0.00 1.61 0.01 -1.24 -5.06 114.94 109.66 2kuq s ASN 145 Ca 0.34 -0.17 -0.02 0.00 -0.71 0.00 0.00 52.86 52.30 2kuq s ASN 145 Cb 0.16 -0.46 -0.01 0.00 0.41 0.00 0.00 41.25 41.36 2kuq s ASN 145 CO 0.27 -0.00 0.04 -0.69 -1.51 0.00 0.00 177.10 175.20 2kuq s VAL 146 N 0.63 0.06 0.14 1.60 1.01 -1.26 -2.01 120.40 120.57 2kuq s VAL 146 Ca -0.10 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2kuq s VAL 146 Cb -0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2kuq s VAL 146 CO 0.01 -0.27 0.17 0.21 0.00 0.00 0.00 175.10 175.22 2kuq s ASN 147 N -0.82 0.18 -0.00 3.32 2.47 0.13 -4.98 114.94 115.24 2kuq s ASN 147 Ca -0.09 -0.99 0.06 0.00 0.42 0.00 0.00 52.86 52.26 2kuq s ASN 147 Cb -0.05 0.36 -0.02 0.00 -1.45 0.00 0.00 41.25 40.09 2kuq s ASN 147 CO -0.00 -0.80 -0.19 -0.31 -3.72 0.00 0.00 177.10 172.08 2kuq s TYR 148 N -3.99 1.67 0.00 0.43 2.02 -1.26 -1.80 117.35 114.42 2kuq s TYR 148 Ca 0.18 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 2kuq s TYR 148 Cb 0.05 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.55 2kuq s TYR 148 CO -0.01 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 2kuq n GLY 149 N 2.48 0.79 3.71 0.71 0.00 -1.26 -4.97 105.19 106.64 2kuq n GLY 149 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 1.38 2.89 -0.01 1.61 1.51 -1.26 -5.03 117.35 118.44 2kuq s TYR 150 Ca 0.00 0.63 0.00 0.00 -1.01 0.00 0.00 57.07 56.70 2kuq s TYR 150 Cb 0.00 -3.85 0.01 0.00 -0.11 0.00 0.00 41.96 38.01 2kuq s TYR 150 CO 0.00 -3.19 0.01 -0.65 -1.11 0.00 0.00 175.55 170.60 2kuq s GLN 151 N 1.73 0.04 -0.81 -0.62 -0.21 -1.26 -5.00 119.66 113.52 2kuq s GLN 151 Ca 0.69 0.06 -0.03 0.00 0.02 0.00 0.00 55.36 56.10 2kuq s GLN 151 Cb -0.39 -0.15 0.25 0.00 1.00 0.00 0.00 33.01 33.71 2kuq s GLN 151 CO 0.31 -0.06 2.23 1.04 -2.12 0.00 0.00 175.29 176.69 2kuq n GLN 152 N 3.53 3.26 0.00 2.91 3.00 -1.26 -5.30 117.38 123.52 2kuq n GLN 152 Ca -0.19 -3.39 0.06 0.00 -0.01 0.00 0.00 57.00 53.48 2kuq n GLN 152 Cb 0.56 -2.30 0.39 0.00 0.00 0.00 0.00 30.24 28.88 2kuq n GLN 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06