#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 -0.10 0.28 1.61 0.01 -1.26 -5.17 113.70 109.07 2kuq s SER 2 Ca 0.00 -0.14 -0.22 0.00 1.31 0.00 0.00 55.95 56.90 2kuq s SER 2 Cb 0.00 0.32 -0.09 0.00 0.21 0.00 0.00 66.02 66.46 2kuq s SER 2 CO 0.00 -0.53 0.82 -0.94 0.41 0.00 0.00 173.24 173.00 2kuq s SER 3 N -1.79 7.14 -1.48 2.44 1.04 -1.26 -4.99 113.70 114.80 2kuq s SER 3 Ca -0.08 1.59 -0.13 0.00 0.48 0.00 0.00 55.95 57.81 2kuq s SER 3 Cb -0.03 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.63 2kuq s SER 3 CO -0.01 -0.04 2.38 0.61 0.98 0.00 0.00 173.24 177.16 2kuq n GLY 4 N 0.51 4.42 3.43 7.32 0.00 -1.26 -4.90 105.19 114.72 2kuq n GLY 4 Ca 0.00 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 2kuq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 5 N 5.25 3.87 -3.80 1.61 2.88 -1.26 -4.90 113.62 117.27 2kuq n SER 5 Ca 0.58 -2.80 -0.22 0.00 -1.33 0.00 0.00 58.87 55.09 2kuq n SER 5 Cb 0.35 -1.67 -0.17 0.00 -0.75 0.00 0.00 64.21 61.97 2kuq n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kuq s SER 6 N 5.01 1.38 0.00 -3.46 0.01 -1.26 -5.09 113.70 110.29 2kuq s SER 6 Ca 0.59 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2kuq s SER 6 Cb 0.05 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2kuq s SER 6 CO 0.09 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2kuq n GLY 7 N 4.84 -2.07 3.08 3.44 0.00 -1.26 -4.99 105.19 108.23 2kuq n GLY 7 Ca -0.12 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 2kuq n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kuq s LEU 8 N -3.67 2.88 0.13 0.99 2.01 -1.26 -5.09 118.68 114.67 2kuq s LEU 8 Ca 0.00 -1.09 -0.25 0.00 0.01 0.00 0.00 54.13 52.80 2kuq s LEU 8 Cb 0.00 -1.50 0.08 0.00 0.01 0.00 0.00 46.19 44.78 2kuq s LEU 8 CO 0.00 -0.12 1.04 0.54 1.01 0.00 0.00 176.35 178.83 2kuq s ASN 9 N 1.19 -0.11 0.00 2.29 2.20 -1.26 -5.06 114.94 114.19 2kuq s ASN 9 Ca -0.03 -0.42 0.27 0.00 -0.94 0.00 0.00 52.86 51.73 2kuq s ASN 9 Cb -0.17 0.43 0.80 0.00 -2.00 0.00 0.00 41.25 40.30 2kuq s ASN 9 CO -0.08 -0.81 1.59 0.54 -2.94 0.00 0.00 177.10 175.40 2kuq n ARG 10 N -0.54 0.94 -0.06 3.55 1.74 -1.26 -4.44 116.66 116.59 2kuq n ARG 10 Ca -0.06 -0.55 -0.21 0.00 -0.77 0.00 0.00 57.85 56.26 2kuq n ARG 10 Cb 0.61 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.43 2kuq n ARG 10 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kuq n ASP 11 N -0.55 2.04 0.00 0.55 8.00 -1.26 -5.00 116.55 120.33 2kuq n ASP 11 Ca 0.13 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2kuq n ASP 11 Cb 0.35 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2kuq n ASP 11 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kuq n SER 12 N -3.56 -4.35 -4.66 -2.24 7.64 -1.26 -4.93 113.62 100.26 2kuq n SER 12 Ca -0.39 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.07 2kuq n SER 12 Cb 0.98 -2.71 -0.03 0.00 -1.01 0.00 0.00 64.21 61.45 2kuq n SER 12 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kuq s VAL 13 N -1.29 3.23 0.76 0.44 1.01 -1.26 -4.99 120.40 118.30 2kuq s VAL 13 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2kuq s VAL 13 Cb 0.00 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.24 2kuq s VAL 13 CO 0.00 -0.03 1.08 -2.16 0.00 0.00 0.00 175.10 173.99 2kuq s PRO 14 N 4.41 2.43 0.00 2.72 0.04 -1.26 -4.95 135.00 138.39 2kuq s PRO 14 Ca 0.83 0.81 0.18 0.00 0.04 0.00 0.00 61.00 62.86 2kuq s PRO 14 Cb -0.38 -1.94 1.10 0.00 0.04 0.00 0.00 34.50 33.31 2kuq s PRO 14 CO 0.37 -1.42 1.53 -0.25 0.04 0.00 0.00 177.00 177.27 2kuq n ASP 15 N -3.32 0.00 -0.19 6.66 8.00 -1.26 -3.04 116.55 123.40 2kuq n ASP 15 Ca 0.07 -0.80 0.01 0.00 0.71 0.00 0.00 54.79 54.78 2kuq n ASP 15 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kuq n ASN 16 N -0.92 0.59 -4.58 -2.24 6.94 -1.26 -4.76 115.26 109.03 2kuq n ASN 16 Ca 0.14 -1.78 -0.43 0.00 -0.02 0.00 0.00 54.58 52.49 2kuq n ASN 16 Cb 0.06 -0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 37.35 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 -0.26 1.09 0.28 -2.53 -0.00 -1.17 -4.93 115.22 107.70 2kuq n HIS 17 Ca 0.02 0.66 0.15 0.00 0.46 0.00 0.00 57.72 59.00 2kuq n HIS 17 Cb 0.56 -2.22 0.44 0.00 -0.12 0.00 0.00 29.99 28.65 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 1.76 0.00 0.00 1.57 0.13 -1.99 -3.36 132.00 130.11 2kuq h PRO 18 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kuq h PRO 18 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2kuq h PRO 18 CO 0.59 0.00 -0.43 0.25 -0.23 0.00 0.00 178.00 178.18 2kuq n THR 19 N -2.99 0.00 -4.44 1.56 -2.24 -1.26 -5.03 114.28 99.88 2kuq n THR 19 Ca 0.02 -0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 2kuq n THR 19 Cb 0.40 0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 2kuq n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuq s LYS 20 N -1.02 2.92 -0.03 -0.78 1.02 -1.26 -2.05 119.74 118.54 2kuq s LYS 20 Ca 0.00 -0.44 -0.00 0.00 0.02 0.00 0.00 55.97 55.54 2kuq s LYS 20 Cb 0.00 -2.74 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 2kuq s LYS 20 CO 0.00 0.69 0.02 -0.06 -0.92 0.00 0.00 175.35 175.08 2kuq s PHE 21 N -0.86 0.21 0.21 3.18 0.08 0.23 -4.13 117.98 116.90 2kuq s PHE 21 Ca 0.13 0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.95 2kuq s PHE 21 Cb -0.11 -0.40 -0.09 0.00 -0.57 0.00 0.00 43.02 41.84 2kuq s PHE 21 CO 0.02 -0.14 1.41 0.15 -0.10 0.00 0.00 175.22 176.56 2kuq s LYS 22 N 1.34 4.30 0.05 0.44 -0.14 -1.26 -0.80 119.74 123.66 2kuq s LYS 22 Ca -0.06 2.21 -0.03 0.00 -1.36 0.00 0.00 55.97 56.74 2kuq s LYS 22 Cb -0.13 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 32.84 2kuq s LYS 22 CO -0.03 -0.40 0.03 0.14 -0.76 0.00 0.00 175.35 174.34 2kuq s VAL 23 N 0.29 0.18 -0.07 3.17 -7.23 -0.42 -4.77 120.40 111.54 2kuq s VAL 23 Ca 0.60 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 2kuq s VAL 23 Cb -0.40 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.36 2kuq s VAL 23 CO 0.39 -0.80 0.03 -0.89 -0.31 0.00 0.00 175.10 173.52 2kuq s THR 24 N -3.34 0.21 0.33 5.32 2.01 -1.13 -1.04 115.64 118.00 2kuq s THR 24 Ca 0.01 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 2kuq s THR 24 Cb 0.03 -0.45 -0.10 0.00 0.01 0.00 0.00 72.50 72.00 2kuq s THR 24 CO -0.08 0.17 1.28 0.21 -0.69 0.00 0.00 174.62 175.51 2kuq s ASN 25 N 2.04 6.83 0.11 3.53 3.84 -0.57 -0.83 114.94 129.89 2kuq s ASN 25 Ca 0.04 2.63 0.05 0.00 0.21 0.00 0.00 52.86 55.79 2kuq s ASN 25 Cb -0.13 -2.65 -0.04 0.00 -0.55 0.00 0.00 41.25 37.89 2kuq s ASN 25 CO -0.05 -0.48 -0.13 0.68 -2.79 0.00 0.00 177.10 174.33 2kuq s VAL 26 N -1.15 1.16 0.28 -5.21 -7.23 -0.79 -1.45 120.40 106.00 2kuq s VAL 26 Ca 0.48 -1.62 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 2kuq s VAL 26 Cb -0.39 -1.39 0.06 0.00 0.56 0.00 0.00 36.38 35.22 2kuq s VAL 26 CO 0.51 -0.43 0.38 -0.90 -0.31 0.00 0.00 175.10 174.35 2kuq n ASP 27 N 0.66 0.08 0.06 4.85 5.75 -1.15 -4.68 116.55 122.13 2kuq n ASP 27 Ca -0.17 -1.17 0.09 0.00 -0.01 0.00 0.00 54.79 53.54 2kuq n ASP 27 Cb 0.57 -0.28 0.38 0.00 -1.03 0.00 0.00 41.12 40.75 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2kuq n ASP 28 N -3.22 0.28 -0.77 -1.12 5.75 -1.26 -1.84 116.55 114.38 2kuq n ASP 28 Ca 0.05 0.57 0.11 0.00 -0.01 0.00 0.00 54.79 55.51 2kuq n ASP 28 Cb 0.17 -0.63 0.07 0.00 -1.03 0.00 0.00 41.12 39.70 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kuq n GLU 29 N -1.81 1.85 -1.01 0.11 -0.58 -1.26 -4.99 120.64 112.94 2kuq n GLU 29 Ca 0.03 -1.59 -0.00 0.00 -0.42 0.00 0.00 57.16 55.17 2kuq n GLU 29 Cb 0.19 -1.41 -0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kuq n GLY 30 N 1.23 0.45 3.70 0.62 0.00 -0.77 -5.03 105.19 105.39 2kuq n GLY 30 Ca 0.12 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 4.35 -0.23 1.61 1.01 -1.26 -4.80 120.40 119.07 2kuq s VAL 31 Ca 0.00 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 2kuq s VAL 31 Cb 0.00 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2kuq s VAL 31 CO 0.00 0.05 1.53 -1.61 0.00 0.00 0.00 175.10 175.06 2kuq s GLU 32 N 1.77 3.86 -0.22 2.72 2.02 -1.26 -2.92 118.70 124.66 2kuq s GLU 32 Ca 0.55 1.58 -0.16 0.00 0.02 0.00 0.00 54.97 56.96 2kuq s GLU 32 Cb -0.24 -3.98 -0.11 0.00 0.10 0.00 0.00 34.13 29.90 2kuq s GLU 32 CO 0.24 -1.21 -0.20 1.28 0.02 0.00 0.00 175.26 175.39 2kuq n LEU 33 N 8.12 1.91 -3.59 1.80 4.77 -0.53 -5.00 117.00 124.48 2kuq n LEU 33 Ca 0.18 0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 56.40 2kuq n LEU 33 Cb 0.45 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 2kuq n LEU 33 CO 0.64 0.12 0.41 -0.83 -1.33 0.00 0.00 177.39 176.39 2kuq s GLY 34 N -5.00 -0.54 0.32 -0.72 0.00 -1.25 -4.97 107.32 95.17 2kuq s GLY 34 Ca -0.30 1.62 -0.11 0.00 0.00 0.00 0.00 44.72 45.93 2kuq s GLY 34 CO 0.45 1.31 0.68 -1.35 0.00 0.00 0.00 173.10 174.19 2kuq s SER 35 N -0.41 6.60 0.32 1.64 1.04 -1.26 -1.51 113.70 120.12 2kuq s SER 35 Ca -0.06 1.06 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 2kuq s SER 35 Cb -0.03 -2.29 0.07 0.00 0.10 0.00 0.00 66.02 63.87 2kuq s SER 35 CO 0.05 -0.24 0.90 0.61 0.98 0.00 0.00 173.24 175.54 2kuq n GLY 36 N -0.72 0.82 2.97 7.32 0.00 -0.20 -4.43 105.19 110.95 2kuq n GLY 36 Ca 0.02 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 2kuq n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kuq s VAL 37 N -2.08 1.53 0.16 1.61 1.01 -0.62 -1.30 120.40 120.72 2kuq s VAL 37 Ca 0.19 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2kuq s VAL 37 Cb -0.04 -1.63 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 2kuq s VAL 37 CO 0.09 0.16 0.99 -0.32 0.00 0.00 0.00 175.10 176.02 2kuq s MET 38 N 1.44 4.71 -0.06 2.72 1.75 0.02 -1.23 119.30 128.65 2kuq s MET 38 Ca -0.01 1.53 -0.01 0.00 -1.25 0.00 0.00 55.69 55.95 2kuq s MET 38 Cb -0.16 -3.33 0.03 0.00 2.84 0.00 0.00 34.83 34.21 2kuq s MET 38 CO -0.08 0.25 0.01 -2.00 -0.65 0.00 0.00 175.02 172.54 2kuq s GLU 39 N -0.38 0.51 -0.31 4.11 2.12 0.47 -0.60 118.70 124.61 2kuq s GLU 39 Ca 0.46 0.13 -0.08 0.00 0.36 0.00 0.00 54.97 55.83 2kuq s GLU 39 Cb -0.25 -0.86 0.01 0.00 0.26 0.00 0.00 34.13 33.28 2kuq s GLU 39 CO 0.32 -0.28 0.12 -0.51 -0.54 0.00 0.00 175.26 174.37 2kuq s LEU 40 N 1.84 4.06 0.59 2.70 1.02 -0.87 -0.40 118.68 127.62 2kuq s LEU 40 Ca 0.03 -0.69 0.09 0.00 0.02 0.00 0.00 54.13 53.57 2kuq s LEU 40 Cb -0.12 -1.94 0.09 0.00 0.02 0.00 0.00 46.19 44.23 2kuq s LEU 40 CO -0.04 -0.22 0.75 0.42 0.02 0.00 0.00 176.35 177.28 2kuq s THR 41 N 1.54 1.96 -2.12 5.49 -4.23 -1.13 -4.89 115.64 112.27 2kuq s THR 41 Ca 0.03 -1.08 0.17 0.00 -1.18 0.00 0.00 61.69 59.63 2kuq s THR 41 Cb -0.17 -2.04 0.43 0.00 1.34 0.00 0.00 72.50 72.05 2kuq s THR 41 CO 0.04 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 175.66 2kuq n GLN 42 N -2.21 1.38 -0.01 3.99 6.02 -1.26 -4.36 117.38 120.93 2kuq n GLN 42 Ca 0.13 -0.58 -0.03 0.00 -0.01 0.00 0.00 57.00 56.52 2kuq n GLN 42 Cb 0.62 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.17 1.19 -3.87 1.08 7.64 -1.26 -5.13 113.62 113.10 2kuq n SER 43 Ca 0.13 0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.95 2kuq n SER 43 Cb 0.19 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.05 1.60 0.05 1.43 1.03 -1.26 -4.52 118.70 114.98 2kuq s GLU 44 Ca -0.04 -1.05 -0.30 0.00 0.03 0.00 0.00 54.97 53.62 2kuq s GLU 44 Cb 0.01 0.54 -0.04 0.00 -0.80 0.00 0.00 34.13 33.84 2kuq s GLU 44 CO 0.05 -0.70 0.97 -1.17 -1.33 0.00 0.00 175.26 173.09 2kuq s LEU 45 N -2.94 4.43 0.08 1.83 0.20 -0.41 -2.83 118.68 119.04 2kuq s LEU 45 Ca 0.15 1.72 0.08 0.00 0.69 0.00 0.00 54.13 56.77 2kuq s LEU 45 Cb -0.03 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.12 2kuq s LEU 45 CO 0.05 -0.17 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.03 2kuq s VAL 46 N 0.56 1.79 -0.12 1.68 1.01 0.46 -1.11 120.40 124.68 2kuq s VAL 46 Ca 0.50 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2kuq s VAL 46 Cb -0.22 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.63 2kuq s VAL 46 CO 0.29 0.09 0.16 -0.22 0.00 0.00 0.00 175.10 175.41 2kuq s LEU 47 N -1.60 -0.01 -0.22 3.92 0.20 -0.05 -0.40 118.68 120.53 2kuq s LEU 47 Ca 0.08 0.07 -0.26 0.00 0.69 0.00 0.00 54.13 54.71 2kuq s LEU 47 Cb -0.10 0.19 -0.01 0.00 -0.43 0.00 0.00 46.19 45.85 2kuq s LEU 47 CO 0.03 -0.28 0.87 -1.00 -0.29 0.00 0.00 176.35 175.69 2kuq s HIS 48 N 2.27 3.35 0.38 5.38 3.76 -0.36 -0.60 115.29 129.47 2kuq s HIS 48 Ca 0.04 1.23 0.07 0.00 -0.15 0.00 0.00 55.06 56.25 2kuq s HIS 48 Cb -0.13 -3.08 -0.07 0.00 1.11 0.00 0.00 32.58 30.40 2kuq s HIS 48 CO -0.07 -0.37 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.93 2kuq s LEU 49 N 2.69 2.77 -0.24 0.89 1.43 -1.26 -1.59 118.68 123.38 2kuq s LEU 49 Ca 0.38 -1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2kuq s LEU 49 Cb -0.16 -0.87 -0.15 0.00 0.03 0.00 0.00 46.19 45.05 2kuq s LEU 49 CO 0.09 -0.41 -0.23 1.57 0.23 0.00 0.00 176.35 177.60 2kuq n HIS 50 N -0.89 0.00 -0.00 0.29 -0.00 -1.26 -4.64 115.22 108.71 2kuq n HIS 50 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.56 2kuq n HIS 50 Cb 0.66 -0.92 0.03 0.00 -0.00 0.00 0.00 29.99 29.76 2kuq n HIS 50 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2kuq h ARG 51 N -0.13 0.60 -5.88 1.57 9.65 -1.99 -3.46 114.38 114.74 2kuq h ARG 51 Ca -0.55 -0.41 -0.61 0.00 -1.10 0.00 0.00 59.98 57.31 2kuq h ARG 51 Cb 1.79 0.06 -0.13 0.00 -1.39 0.00 0.00 29.97 30.30 2kuq h ARG 51 CO -0.13 1.02 -0.64 1.03 2.80 0.00 0.00 179.97 184.05 2kuq s ARG 52 N -3.93 1.92 1.00 0.20 0.52 -1.26 -5.03 118.95 112.36 2kuq s ARG 52 Ca -0.08 -1.95 -0.12 0.00 -0.52 0.00 0.00 55.73 53.07 2kuq s ARG 52 Cb 0.11 -1.74 0.19 0.00 0.52 0.00 0.00 34.95 34.03 2kuq s ARG 52 CO 0.85 0.08 1.08 -1.21 0.02 0.00 0.00 175.30 176.12 2kuq s GLU 53 N -3.67 0.41 0.24 3.54 2.02 -1.26 -4.38 118.70 115.60 2kuq s GLU 53 Ca 0.34 0.85 -0.31 0.00 0.02 0.00 0.00 54.97 55.86 2kuq s GLU 53 Cb 0.04 -1.71 -0.12 0.00 0.10 0.00 0.00 34.13 32.44 2kuq s GLU 53 CO 0.18 -2.83 1.63 0.00 0.02 0.00 0.00 175.26 174.26 2kuq n ALA 54 N -4.29 2.37 -2.80 5.21 0.00 -1.26 -4.59 120.51 115.15 2kuq n ALA 54 Ca 0.06 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 2kuq n ALA 54 Cb 0.55 -2.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 2kuq n ALA 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kuq s VAL 55 N 0.59 4.90 -0.04 0.00 1.01 0.23 -4.92 120.40 122.16 2kuq s VAL 55 Ca 0.71 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.73 2kuq s VAL 55 Cb -0.54 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2kuq s VAL 55 CO 0.41 0.54 -0.19 -0.13 0.00 0.00 0.00 175.10 175.73 2kuq s ARG 56 N -0.33 2.42 -0.16 2.72 0.52 -1.26 -0.87 118.95 121.99 2kuq s ARG 56 Ca 0.09 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.50 2kuq s ARG 56 Cb -0.12 -2.27 0.05 0.00 0.52 0.00 0.00 34.95 33.13 2kuq s ARG 56 CO 0.02 0.57 0.01 -1.58 0.02 0.00 0.00 175.30 174.33 2kuq s TRP 57 N -0.60 1.08 0.25 -0.53 0.51 -0.26 -4.50 118.94 114.89 2kuq s TRP 57 Ca 0.09 -0.73 -0.30 0.00 -2.12 0.00 0.00 56.10 53.04 2kuq s TRP 57 Cb -0.11 -1.03 -0.10 0.00 -0.81 0.00 0.00 33.47 31.42 2kuq s TRP 57 CO 0.00 -0.54 1.46 -1.25 -0.51 0.00 0.00 176.95 176.12 2kuq s PRO 58 N 1.84 4.25 0.33 4.98 0.04 -1.26 -1.29 135.00 143.88 2kuq s PRO 58 Ca 0.01 2.34 0.03 0.00 0.04 0.00 0.00 61.00 63.42 2kuq s PRO 58 Cb -0.15 -3.10 0.62 0.00 0.04 0.00 0.00 34.50 31.90 2kuq s PRO 58 CO -0.07 -0.45 1.93 1.88 0.04 0.00 0.00 177.00 180.32 2kuq h TYR 59 N 5.09 0.93 0.00 0.56 0.05 -1.93 -1.20 116.97 120.46 2kuq h TYR 59 Ca -0.46 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.34 2kuq h TYR 59 Cb 1.22 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2kuq h TYR 59 CO 0.60 0.49 0.00 1.37 -1.05 0.00 0.00 178.16 179.57 2kuq h LEU 60 N 0.91 0.00 -1.48 3.88 8.10 -1.93 -1.32 115.31 123.48 2kuq h LEU 60 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.35 2kuq h LEU 60 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 2kuq h LEU 60 CO -0.13 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.20 2kuq s LEU 62 N -1.92 3.99 0.13 0.00 1.43 -0.50 -1.37 118.68 120.43 2kuq s LEU 62 Ca 0.33 0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 53.97 2kuq s LEU 62 Cb 0.20 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.06 2kuq s LEU 62 CO 0.31 -0.85 1.35 0.03 0.23 0.00 0.00 176.35 177.43 2kuq h ARG 63 N 8.43 0.68 -2.04 1.70 3.08 -1.82 -3.40 114.38 121.01 2kuq h ARG 63 Ca -0.23 -0.55 0.10 0.00 0.07 0.00 0.00 59.98 59.37 2kuq h ARG 63 Cb 1.08 0.11 -0.18 0.00 0.08 0.00 0.00 29.97 31.06 2kuq h ARG 63 CO 0.98 1.17 0.51 -0.98 -1.07 0.00 0.00 179.97 180.58 2kuq s ARG 64 N -3.73 0.75 -0.07 0.04 1.70 -1.25 -3.43 118.95 112.95 2kuq s ARG 64 Ca -0.09 -0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 2kuq s ARG 64 Cb 0.09 0.35 0.07 0.00 -0.57 0.00 0.00 34.95 34.89 2kuq s ARG 64 CO 0.89 -0.30 0.69 1.52 -1.08 0.00 0.00 175.30 177.01 2kuq s TYR 65 N -2.46 -0.67 0.30 5.89 -0.85 -0.29 -0.81 117.35 118.45 2kuq s TYR 65 Ca 0.03 1.21 -0.18 0.00 -0.52 0.00 0.00 57.07 57.61 2kuq s TYR 65 Cb -0.01 0.40 0.02 0.00 0.38 0.00 0.00 41.96 42.75 2kuq s TYR 65 CO -0.05 -0.59 0.69 0.20 -1.52 0.00 0.00 175.55 174.28 2kuq s GLY 66 N -1.03 0.16 -0.27 5.49 0.00 0.19 -0.60 107.32 111.27 2kuq s GLY 66 Ca -0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 2kuq s GLY 66 CO 0.09 -0.26 0.54 -2.52 0.00 0.00 0.00 173.10 170.95 2kuq s TYR 67 N -3.57 -1.20 0.18 1.90 1.13 -1.26 -1.50 117.35 113.03 2kuq s TYR 67 Ca 0.14 1.73 -0.02 0.00 -1.41 0.00 0.00 57.07 57.52 2kuq s TYR 67 Cb -0.05 0.49 0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2kuq s TYR 67 CO 0.09 -0.69 0.24 -3.47 -2.51 0.00 0.00 175.55 169.21 2kuq n ASP 68 N 5.42 0.15 0.02 -0.18 -0.08 0.45 -4.81 116.55 117.52 2kuq n ASP 68 Ca -0.07 -1.17 0.07 0.00 -1.51 0.00 0.00 54.79 52.11 2kuq n ASP 68 Cb 0.50 -0.17 0.32 0.00 2.34 0.00 0.00 41.12 44.10 2kuq n ASP 68 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2kuq n SER 69 N -3.08 0.09 -0.75 1.67 2.88 -1.26 -3.53 113.62 109.65 2kuq n SER 69 Ca 0.03 0.52 -0.04 0.00 -1.33 0.00 0.00 58.87 58.06 2kuq n SER 69 Cb 0.12 -0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 63.00 2kuq n SER 69 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2kuq n ASN 70 N -1.60 -0.51 -3.73 -3.46 0.23 -1.26 -4.91 115.26 100.02 2kuq n ASN 70 Ca 0.03 -1.48 -0.12 0.00 -0.53 0.00 0.00 54.58 52.48 2kuq n ASN 70 Cb 0.17 0.15 -0.13 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.00 0.37 -0.09 -4.53 2.96 -1.23 -1.37 118.68 114.80 2kuq s LEU 71 Ca 0.00 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2kuq s LEU 71 Cb 0.00 0.82 -0.02 0.00 0.50 0.00 0.00 46.19 47.49 2kuq s LEU 71 CO 0.00 -0.17 -0.17 0.12 -1.32 0.00 0.00 176.35 174.81 2kuq s PHE 72 N 1.23 2.67 -0.02 5.38 5.36 -0.09 -0.41 117.98 132.11 2kuq s PHE 72 Ca -0.09 -0.53 -0.11 0.00 -0.96 0.00 0.00 56.93 55.23 2kuq s PHE 72 Cb -0.10 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 2kuq s PHE 72 CO -0.09 -0.10 0.24 0.45 -1.46 0.00 0.00 175.22 174.26 2kuq s SER 73 N -0.11 -0.12 0.06 6.13 0.15 -0.56 -1.12 113.70 118.12 2kuq s SER 73 Ca -0.03 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.44 2kuq s SER 73 Cb -0.14 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.51 2kuq s SER 73 CO 0.04 -0.38 0.45 0.72 1.20 0.00 0.00 173.24 175.26 2kuq s PHE 74 N -1.21 -0.32 -0.18 3.44 -0.12 -0.79 -0.63 117.98 118.18 2kuq s PHE 74 Ca -0.13 0.27 -0.06 0.00 -0.05 0.00 0.00 56.93 56.97 2kuq s PHE 74 Cb -0.06 0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2kuq s PHE 74 CO 0.03 -0.62 0.02 -2.00 -0.05 0.00 0.00 175.22 172.60 2kuq s GLU 75 N -2.64 3.81 -0.11 1.99 -6.30 0.01 -1.04 118.70 114.41 2kuq s GLU 75 Ca -0.04 -0.43 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 2kuq s GLU 75 Cb -0.00 -3.09 -0.02 0.00 0.00 0.00 0.00 34.13 31.01 2kuq s GLU 75 CO -0.03 0.22 -0.11 0.45 0.02 0.00 0.00 175.26 175.81 2kuq s SER 76 N 0.48 4.26 1.04 -1.70 0.15 -0.74 -2.74 113.70 114.45 2kuq s SER 76 Ca 0.00 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.28 2kuq s SER 76 Cb -0.13 -1.43 0.21 0.00 -1.71 0.00 0.00 66.02 62.96 2kuq s SER 76 CO 0.02 0.23 1.15 -0.83 1.20 0.00 0.00 173.24 175.01 2kuq s GLY 77 N -0.03 1.61 0.47 9.45 0.00 -0.47 -2.32 107.32 116.03 2kuq s GLY 77 Ca -0.02 -0.76 0.32 0.00 0.00 0.00 0.00 44.72 44.26 2kuq s GLY 77 CO 0.04 -0.04 1.97 0.07 0.00 0.00 0.00 173.10 175.13 2kuq h ARG 78 N -1.98 0.00 -4.03 2.90 0.11 -1.89 -3.28 114.38 106.21 2kuq h ARG 78 Ca -0.48 0.00 -0.74 0.00 0.10 0.00 0.00 59.98 58.86 2kuq h ARG 78 Cb 1.30 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.26 2kuq h ARG 78 CO 0.48 0.00 2.20 0.54 0.10 0.00 0.00 179.97 183.29 2kuq n ARG 79 N -2.62 3.36 -3.88 0.08 3.00 -1.26 -4.61 116.66 110.74 2kuq n ARG 79 Ca -0.02 -3.33 -0.07 0.00 -0.01 0.00 0.00 57.85 54.41 2kuq n ARG 79 Cb 0.06 -3.08 -0.02 0.00 0.00 0.00 0.00 32.46 29.42 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kuq h GLN 81 N 2.03 0.00 -0.00 0.00 4.15 -1.93 -3.18 115.11 116.18 2kuq h GLN 81 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2kuq h GLN 81 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2kuq h GLN 81 CO 0.25 0.22 -0.84 0.25 -1.93 0.00 0.00 178.83 176.78 2kuq n THR 82 N -3.61 0.00 -0.22 2.39 -2.24 -1.26 -5.11 114.28 104.23 2kuq n THR 82 Ca -0.01 -0.08 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 2kuq n THR 82 Cb 0.36 1.04 -0.01 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 1.44 -2.20 3.73 3.38 0.00 -1.20 -4.94 105.19 105.40 2kuq n GLY 83 Ca 0.04 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.41 4.16 0.00 1.61 0.74 -1.26 -4.85 119.66 117.66 2kuq s GLN 84 Ca 0.00 2.52 0.00 0.00 0.05 0.00 0.00 55.36 57.93 2kuq s GLN 84 Cb 0.00 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.03 2kuq s GLN 84 CO 0.00 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 2kuq n GLY 85 N 3.20 0.91 3.70 2.59 0.00 -0.98 -4.98 105.19 109.63 2kuq n GLY 85 Ca 0.12 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 5.39 0.09 -0.61 1.01 -1.24 -1.80 121.20 122.03 2kuq s ILE 86 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.89 2kuq s ILE 86 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2kuq s ILE 86 CO 0.00 0.40 -0.07 -0.36 0.00 0.00 0.00 174.94 174.91 2kuq s PHE 87 N 0.68 2.83 -0.09 3.97 0.08 -0.21 -0.60 117.98 124.64 2kuq s PHE 87 Ca 0.08 -0.10 -0.07 0.00 0.12 0.00 0.00 56.93 56.96 2kuq s PHE 87 Cb -0.12 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2kuq s PHE 87 CO 0.01 0.43 0.23 0.00 -0.10 0.00 0.00 175.22 175.80 2kuq s ALA 88 N -1.21 -0.56 -0.01 5.36 0.00 -1.26 -1.88 121.76 122.19 2kuq s ALA 88 Ca 0.22 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.99 2kuq s ALA 88 Cb -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.52 2kuq s ALA 88 CO 0.14 -0.15 -0.04 -0.06 0.00 0.00 0.00 175.76 175.66 2kuq s PHE 89 N 0.63 0.44 -0.23 0.00 0.40 -0.28 -1.89 117.98 117.05 2kuq s PHE 89 Ca -0.04 -0.08 -0.14 0.00 -0.60 0.00 0.00 56.93 56.06 2kuq s PHE 89 Cb -0.06 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 2kuq s PHE 89 CO -0.04 -0.05 0.34 0.21 0.70 0.00 0.00 175.22 176.38 2kuq s LYS 90 N 0.22 4.11 -0.29 0.44 2.20 -0.01 -0.91 119.74 125.51 2kuq s LYS 90 Ca -0.02 0.06 -0.21 0.00 -0.36 0.00 0.00 55.97 55.44 2kuq s LYS 90 Cb -0.06 -3.57 0.15 0.00 -1.51 0.00 0.00 37.83 32.85 2kuq s LYS 90 CO -0.00 -0.08 1.11 0.00 -0.36 0.00 0.00 175.35 176.02 2kuq h SER 92 N 4.79 1.06 -0.06 0.00 0.87 -1.89 -3.08 113.55 115.24 2kuq h SER 92 Ca -0.28 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2kuq h SER 92 Cb 1.18 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2kuq h SER 92 CO 0.17 0.93 0.00 0.54 -0.53 0.00 0.00 176.83 177.94 2kuq n ARG 93 N -4.32 1.38 -0.33 2.24 1.74 -1.26 -4.36 116.66 111.75 2kuq n ARG 93 Ca 0.07 -0.32 0.24 0.00 -0.77 0.00 0.00 57.85 57.07 2kuq n ARG 93 Cb 0.17 -1.51 0.53 0.00 -1.02 0.00 0.00 32.46 30.63 2kuq n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h ALA 94 N 2.34 2.32 -0.38 7.54 0.00 -1.88 -0.94 119.26 128.26 2kuq h ALA 94 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kuq h ALA 94 Cb 0.58 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2kuq h ALA 94 CO 0.04 -0.74 0.24 1.49 0.00 0.00 0.00 179.25 180.29 2kuq h GLU 95 N 0.35 0.50 -0.14 0.00 4.22 -1.85 -1.90 114.58 115.77 2kuq h GLU 95 Ca 0.61 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.89 2kuq h GLU 95 Cb 1.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2kuq h GLU 95 CO -0.29 0.35 -0.44 0.93 -2.18 0.00 0.00 179.01 177.39 2kuq h GLU 96 N 0.51 0.32 -0.16 1.92 5.08 -1.53 -1.41 114.58 119.31 2kuq h GLU 96 Ca 0.14 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2kuq h GLU 96 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2kuq h GLU 96 CO -0.03 0.70 0.06 0.82 -1.00 0.00 0.00 179.01 179.57 2kuq h ILE 97 N 0.27 1.16 -0.83 3.13 2.04 -1.32 -0.30 117.51 121.67 2kuq h ILE 97 Ca 0.02 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2kuq h ILE 97 Cb 0.88 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2kuq h ILE 97 CO 0.07 0.15 0.44 0.15 0.00 0.00 0.00 178.15 178.96 2kuq h PHE 98 N 0.10 1.15 -0.19 1.37 3.57 -1.22 -0.51 116.94 121.21 2kuq h PHE 98 Ca 0.05 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2kuq h PHE 98 Cb 0.18 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2kuq h PHE 98 CO -0.01 0.81 -0.07 -0.91 -2.23 0.00 0.00 178.31 175.89 2kuq h ASN 99 N 1.16 0.40 -0.76 0.41 2.35 -1.18 -2.86 115.58 115.10 2kuq h ASN 99 Ca 0.29 -0.39 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 2kuq h ASN 99 Cb 0.05 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2kuq h ASN 99 CO -0.04 0.70 0.37 0.25 -1.65 0.00 0.00 177.43 177.06 2kuq h LEU 100 N 0.09 0.99 -0.54 1.61 5.85 -0.92 -1.17 115.31 121.21 2kuq h LEU 100 Ca 0.05 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2kuq h LEU 100 Cb 0.54 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2kuq h LEU 100 CO 0.02 0.84 0.30 0.25 -0.34 0.00 0.00 178.44 179.52 2kuq h LEU 101 N 1.06 0.47 -0.37 2.25 5.85 -1.10 -0.93 115.31 122.54 2kuq h LEU 101 Ca 0.26 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.84 2kuq h LEU 101 Cb 0.11 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2kuq h LEU 101 CO -0.03 0.33 -0.74 0.06 -0.34 0.00 0.00 178.44 177.71 2kuq h GLN 102 N 0.59 0.00 -0.39 1.25 3.07 -1.33 -2.38 115.11 115.92 2kuq h GLN 102 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.90 2kuq h GLN 102 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 2kuq h GLN 102 CO -0.13 0.74 -0.04 -0.44 0.09 0.00 0.00 178.83 179.06 2kuq h ASP 103 N 0.00 0.62 1.22 0.06 3.32 -0.89 -1.07 116.42 119.68 2kuq h ASP 103 Ca -0.01 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 2kuq h ASP 103 Cb 1.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2kuq h ASP 103 CO 0.10 0.71 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.02 2kuq h LEU 104 N 0.61 0.00 -0.07 1.55 3.38 -1.12 -0.45 115.31 119.22 2kuq h LEU 104 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2kuq h LEU 104 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2kuq h LEU 104 CO 0.02 0.24 -0.20 0.24 0.09 0.00 0.00 178.44 178.83 2kuq h MET 105 N 0.00 0.26 0.13 1.13 2.86 -0.96 -3.37 114.93 114.97 2kuq h MET 105 Ca -0.00 -0.19 -0.28 0.00 -2.06 0.00 0.00 59.70 57.17 2kuq h MET 105 Cb 0.92 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.61 2kuq h MET 105 CO 0.03 0.80 -1.30 -0.56 1.06 0.00 0.00 176.91 176.95 2kuq h GLN 106 N -0.25 0.27 -4.26 1.72 3.07 -1.17 -3.48 115.11 111.00 2kuq h GLN 106 Ca -0.01 -0.45 -0.31 0.00 0.09 0.00 0.00 58.65 57.97 2kuq h GLN 106 Cb 0.82 0.17 -0.02 0.00 0.08 0.00 0.00 27.48 28.53 2kuq h GLN 106 CO 0.04 1.20 -0.43 0.00 0.09 0.00 0.00 178.83 179.73 2kuq h ASN 108 N -0.42 0.00 -5.37 0.00 -1.24 -1.93 -3.47 115.58 103.15 2kuq h ASN 108 Ca -0.37 0.00 0.17 0.00 0.71 0.00 0.00 56.30 56.81 2kuq h ASN 108 Cb 1.26 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.26 2kuq h ASN 108 CO 0.44 0.42 0.53 -0.55 -1.29 0.00 0.00 177.43 176.98 2kuq s SER 109 N -6.88 -0.09 -0.84 1.15 0.15 -1.26 -5.11 113.70 100.82 2kuq s SER 109 Ca -0.02 -0.54 -0.18 0.00 0.70 0.00 0.00 55.95 55.90 2kuq s SER 109 Cb 0.14 0.50 0.14 0.00 -1.71 0.00 0.00 66.02 65.09 2kuq s SER 109 CO 0.73 -0.95 0.98 -0.63 1.20 0.00 0.00 173.24 174.57 2kuq s ILE 110 N -2.73 4.90 -0.46 6.45 1.01 -1.26 -5.01 121.20 124.10 2kuq s ILE 110 Ca 0.17 -1.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.00 2kuq s ILE 110 Cb -0.02 -4.67 0.03 0.00 0.01 0.00 0.00 42.46 37.82 2kuq s ILE 110 CO 0.04 -1.35 0.70 0.21 0.00 0.00 0.00 174.94 174.54 2kuq s ASN 111 N 3.32 6.34 -0.05 3.58 2.47 -1.26 -4.90 114.94 124.43 2kuq s ASN 111 Ca 0.26 -0.35 0.10 0.00 0.42 0.00 0.00 52.86 53.29 2kuq s ASN 111 Cb -0.09 -2.34 0.19 0.00 -1.45 0.00 0.00 41.25 37.55 2kuq s ASN 111 CO -0.06 -0.87 1.09 1.33 -3.72 0.00 0.00 177.10 174.87 2kuq n VAL 112 N 5.93 0.72 -3.36 -5.21 0.24 -1.26 -5.05 118.33 110.34 2kuq n VAL 112 Ca -0.01 -1.08 -0.37 0.00 -2.04 0.00 0.00 64.34 60.84 2kuq n VAL 112 Cb 0.48 0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 33.10 2kuq n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kuq s MET 113 N -1.08 4.05 0.43 7.34 0.23 -1.26 -5.11 119.30 123.90 2kuq s MET 113 Ca 0.18 0.57 -0.10 0.00 -1.03 0.00 0.00 55.69 55.31 2kuq s MET 113 Cb 0.17 -3.11 -0.06 0.00 -1.53 0.00 0.00 34.83 30.30 2kuq s MET 113 CO -0.02 0.59 0.79 -1.83 -2.03 0.00 0.00 175.02 172.52 2kuq s GLU 114 N -1.44 3.74 0.02 3.16 -1.05 -1.26 -5.12 118.70 116.75 2kuq s GLU 114 Ca 0.31 0.46 0.01 0.00 -0.15 0.00 0.00 54.97 55.60 2kuq s GLU 114 Cb -0.17 -2.36 -0.02 0.00 -0.44 0.00 0.00 34.13 31.14 2kuq s GLU 114 CO 0.18 -0.10 -0.04 -1.21 0.95 0.00 0.00 175.26 175.04 2kuq s GLU 115 N -4.06 0.35 0.53 -4.83 2.02 -1.26 -5.16 118.70 106.29 2kuq s GLU 115 Ca 0.51 -0.56 -0.19 0.00 0.02 0.00 0.00 54.97 54.75 2kuq s GLU 115 Cb -0.10 -0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.01 2kuq s GLU 115 CO 0.34 -0.00 1.08 -1.25 0.02 0.00 0.00 175.26 175.45 2kuq s PRO 116 N -1.26 3.50 -0.04 0.39 0.04 -1.26 -5.07 135.00 131.31 2kuq s PRO 116 Ca -0.11 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2kuq s PRO 116 Cb -0.08 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2kuq s PRO 116 CO -0.00 -0.70 -0.01 0.08 0.04 0.00 0.00 177.00 176.41 2kuq s VAL 117 N -1.95 0.27 -0.22 -0.36 1.01 -1.26 -5.13 120.40 112.76 2kuq s VAL 117 Ca 0.69 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 2kuq s VAL 117 Cb -0.20 -0.36 0.07 0.00 0.00 0.00 0.00 36.38 35.89 2kuq s VAL 117 CO 0.26 0.18 0.06 -0.63 0.00 0.00 0.00 175.10 174.96 2kuq s ILE 118 N 1.14 0.45 -0.22 2.22 1.09 -1.26 -5.11 121.20 119.50 2kuq s ILE 118 Ca -0.08 -0.66 -0.02 0.00 -1.10 0.00 0.00 60.65 58.78 2kuq s ILE 118 Cb -0.14 -1.07 0.07 0.00 -1.06 0.00 0.00 42.46 40.26 2kuq s ILE 118 CO -0.02 -0.34 0.04 -0.63 -0.10 0.00 0.00 174.94 173.90 2kuq s ILE 119 N 1.88 0.63 -1.43 2.92 1.01 -1.26 -5.06 121.20 119.89 2kuq s ILE 119 Ca 0.02 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 2kuq s ILE 119 Cb -0.17 -1.20 0.06 0.00 0.01 0.00 0.00 42.46 41.16 2kuq s ILE 119 CO -0.14 -0.31 2.36 0.35 0.00 0.00 0.00 174.94 177.21 2kuq n THR 120 N 5.00 4.29 -3.86 2.92 -2.24 -1.26 -4.87 114.28 114.25 2kuq n THR 120 Ca -0.08 -3.54 -0.21 0.00 -2.27 0.00 0.00 64.05 57.94 2kuq n THR 120 Cb 0.46 -2.43 -0.17 0.00 -2.10 0.00 0.00 70.33 66.08 2kuq n THR 120 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kuq s SER 121 N 1.72 1.25 0.00 3.42 0.15 -1.26 -5.12 113.70 113.86 2kuq s SER 121 Ca 0.52 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2kuq s SER 121 Cb 0.15 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2kuq s SER 121 CO -0.06 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2kuq n GLY 122 N 4.79 0.31 3.80 9.45 0.00 -1.26 -5.10 105.19 117.18 2kuq n GLY 122 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 123 N -0.71 0.02 -0.26 1.61 0.15 -1.26 -5.16 113.70 108.09 2kuq s SER 123 Ca 0.00 -1.13 -0.13 0.00 0.70 0.00 0.00 55.95 55.39 2kuq s SER 123 Cb 0.00 0.84 0.09 0.00 -1.71 0.00 0.00 66.02 65.24 2kuq s SER 123 CO 0.00 -1.66 0.61 -0.55 1.20 0.00 0.00 173.24 172.84 2kuq s SER 124 N -3.07 -0.86 -0.80 5.45 0.15 -1.26 -5.07 113.70 108.24 2kuq s SER 124 Ca 0.16 1.38 -0.07 0.00 0.70 0.00 0.00 55.95 58.12 2kuq s SER 124 Cb -0.05 1.45 -0.15 0.00 -1.71 0.00 0.00 66.02 65.56 2kuq s SER 124 CO 0.11 -0.23 3.22 0.61 1.20 0.00 0.00 173.24 178.15 2kuq n GLY 125 N 4.59 3.76 3.76 9.45 0.00 -1.26 -4.97 105.19 120.52 2kuq n GLY 125 Ca -0.18 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 2kuq n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 126 N 1.85 5.29 -1.45 1.61 0.15 -1.26 -4.93 113.70 114.96 2kuq s SER 126 Ca 0.67 2.27 -0.08 0.00 0.70 0.00 0.00 55.95 59.52 2kuq s SER 126 Cb 0.26 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2kuq s SER 126 CO -0.05 -1.52 2.70 -0.24 1.20 0.00 0.00 173.24 175.34 2kuq n SER 127 N -1.66 8.38 -4.78 5.45 2.88 -1.26 -4.91 113.62 117.72 2kuq n SER 127 Ca 0.13 -2.85 -0.23 0.00 -1.33 0.00 0.00 58.87 54.60 2kuq n SER 127 Cb 0.50 -1.46 -0.05 0.00 -0.75 0.00 0.00 64.21 62.45 2kuq n SER 127 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kuq s GLY 128 N 1.30 2.01 0.06 0.46 0.00 -1.26 -5.16 107.32 104.73 2kuq s GLY 128 Ca 0.62 -1.85 -0.26 0.00 0.00 0.00 0.00 44.72 43.23 2kuq s GLY 128 CO -0.08 -1.74 0.76 -0.45 0.00 0.00 0.00 173.10 171.60 2kuq s SER 129 N -3.93 -0.46 -0.28 1.64 0.15 -1.26 -5.15 113.70 104.40 2kuq s SER 129 Ca 0.41 0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.91 2kuq s SER 129 Cb -0.02 0.48 0.10 0.00 -1.71 0.00 0.00 66.02 64.87 2kuq s SER 129 CO 0.24 -0.76 0.80 -0.55 1.20 0.00 0.00 173.24 174.17 2kuq s SER 130 N -2.54 -0.77 -0.53 5.45 0.15 -1.26 -5.09 113.70 109.10 2kuq s SER 130 Ca 0.03 1.25 -0.07 0.00 0.70 0.00 0.00 55.95 57.86 2kuq s SER 130 Cb -0.01 1.31 0.14 0.00 -1.71 0.00 0.00 66.02 65.75 2kuq s SER 130 CO -0.10 -0.20 0.39 -0.83 1.20 0.00 0.00 173.24 173.69 2kuq s GLY 131 N 1.42 2.21 0.20 9.45 0.00 -1.26 -5.04 107.32 114.30 2kuq s GLY 131 Ca -0.09 -2.80 -0.22 0.00 0.00 0.00 0.00 44.72 41.61 2kuq s GLY 131 CO -0.17 1.11 0.98 -0.45 0.00 0.00 0.00 173.10 174.57 2kuq s SER 132 N 1.97 -0.06 0.01 1.64 0.15 -1.26 -5.20 113.70 110.94 2kuq s SER 132 Ca 0.10 -0.64 -0.28 0.00 0.70 0.00 0.00 55.95 55.83 2kuq s SER 132 Cb -0.22 0.54 0.08 0.00 -1.71 0.00 0.00 66.02 64.71 2kuq s SER 132 CO -0.03 -1.06 0.73 -0.55 1.20 0.00 0.00 173.24 173.53 2kuq s SER 133 N -3.19 -0.55 0.00 5.45 0.15 -1.26 -4.98 113.70 109.31 2kuq s SER 133 Ca 0.18 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2kuq s SER 133 Cb -0.03 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2kuq s SER 133 CO 0.05 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2kuq n GLY 134 N 0.31 -3.05 3.67 9.45 0.00 -1.26 -4.94 105.19 109.38 2kuq n GLY 134 Ca -0.16 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 4.22 0.03 0.99 1.43 -1.26 -4.93 118.68 119.16 2kuq s LEU 135 Ca 0.00 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 2kuq s LEU 135 Cb 0.00 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2kuq s LEU 135 CO 0.00 -0.71 0.97 0.12 0.23 0.00 0.00 176.35 176.97 2kuq s PHE 136 N 3.06 3.70 -0.24 0.29 2.19 -1.26 -5.05 117.98 120.66 2kuq s PHE 136 Ca 0.56 1.72 -0.12 0.00 0.33 0.00 0.00 56.93 59.43 2kuq s PHE 136 Cb -0.23 -3.10 -0.05 0.00 -1.31 0.00 0.00 43.02 38.33 2kuq s PHE 136 CO 0.18 0.04 0.21 1.03 1.83 0.00 0.00 175.22 178.52 2kuq s ARG 137 N 0.76 4.07 0.25 10.12 3.00 -1.26 -4.52 118.95 131.37 2kuq s ARG 137 Ca 0.51 -0.18 -0.17 0.00 0.00 0.00 0.00 55.73 55.89 2kuq s ARG 137 Cb -0.22 -3.56 -0.08 0.00 0.00 0.00 0.00 34.95 31.09 2kuq s ARG 137 CO 0.28 0.00 0.70 -0.51 0.00 0.00 0.00 175.30 175.78 2kuq s LEU 138 N 1.22 4.24 0.23 2.53 1.43 0.23 -4.94 118.68 123.63 2kuq s LEU 138 Ca 0.10 1.31 0.16 0.00 -1.03 0.00 0.00 54.13 54.66 2kuq s LEU 138 Cb -0.14 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.38 2kuq s LEU 138 CO 0.06 -0.05 1.31 0.03 0.23 0.00 0.00 176.35 177.93 2kuq h ARG 139 N 3.00 0.00 -5.25 1.70 3.08 -1.99 -3.29 114.38 111.62 2kuq h ARG 139 Ca -0.48 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.14 2kuq h ARG 139 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.09 2kuq h ARG 139 CO 0.65 0.44 -0.66 -3.38 -1.07 0.00 0.00 179.97 175.96 2kuq s HIS 140 N -2.96 1.76 -0.26 3.04 -3.43 -1.26 -5.03 115.29 107.15 2kuq s HIS 140 Ca 0.03 -0.85 -0.24 0.00 -0.80 0.00 0.00 55.06 53.19 2kuq s HIS 140 Cb 0.08 -1.04 -0.00 0.00 -1.43 0.00 0.00 32.58 30.18 2kuq s HIS 140 CO 0.76 0.08 0.83 0.12 -2.00 0.00 0.00 174.74 174.53 2kuq s PHE 141 N -3.26 3.28 0.08 0.38 2.19 -1.26 -4.96 117.98 114.44 2kuq s PHE 141 Ca 0.30 1.07 0.12 0.00 0.33 0.00 0.00 56.93 58.76 2kuq s PHE 141 Cb 0.06 -3.10 0.16 0.00 -1.31 0.00 0.00 43.02 38.82 2kuq s PHE 141 CO 0.11 -0.44 1.48 -1.00 1.83 0.00 0.00 175.22 177.20 2kuq h PRO 142 N 7.78 0.00 -6.63 10.12 0.13 -1.97 -3.44 132.00 137.99 2kuq h PRO 142 Ca -0.23 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.39 2kuq h PRO 142 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2kuq h PRO 142 CO 0.88 0.66 0.30 0.00 -0.23 0.00 0.00 178.00 179.62 2kuq h GLY 144 N 4.63 0.00 -4.44 0.00 0.00 -1.91 -3.44 103.07 97.91 2kuq h GLY 144 Ca -0.45 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.31 2kuq h GLY 144 CO 0.69 0.00 -0.12 0.54 0.00 0.00 0.00 176.54 177.64 2kuq s ASN 145 N -6.30 6.83 -0.13 0.19 2.20 -1.26 -5.11 114.94 111.37 2kuq s ASN 145 Ca 0.03 1.04 -0.09 0.00 -0.94 0.00 0.00 52.86 52.90 2kuq s ASN 145 Cb 0.08 -2.27 0.04 0.00 -2.00 0.00 0.00 41.25 37.10 2kuq s ASN 145 CO 0.69 0.18 0.33 -0.69 -2.94 0.00 0.00 177.10 174.66 2kuq s VAL 146 N -1.33 -0.02 0.20 3.54 1.01 -1.26 -4.16 120.40 118.38 2kuq s VAL 146 Ca 0.33 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.48 2kuq s VAL 146 Cb -0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2kuq s VAL 146 CO 0.18 0.03 -0.23 0.21 0.00 0.00 0.00 175.10 175.29 2kuq s ASN 147 N 0.77 3.33 0.11 3.32 2.47 0.23 -4.97 114.94 120.21 2kuq s ASN 147 Ca -0.05 -0.88 0.08 0.00 0.42 0.00 0.00 52.86 52.43 2kuq s ASN 147 Cb -0.06 -0.24 -0.04 0.00 -1.45 0.00 0.00 41.25 39.46 2kuq s ASN 147 CO -0.05 0.09 -0.13 -0.31 -3.72 0.00 0.00 177.10 172.98 2kuq s TYR 148 N -1.81 2.67 0.00 0.43 1.51 -1.26 -1.14 117.35 117.74 2kuq s TYR 148 Ca 0.21 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 2kuq s TYR 148 Cb -0.07 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 2kuq s TYR 148 CO 0.10 0.42 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 2kuq n GLY 149 N 0.67 0.92 3.71 0.71 0.00 -1.22 -5.00 105.19 104.98 2kuq n GLY 149 Ca -0.14 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 0.63 1.96 -0.06 1.61 2.02 -1.26 -5.06 117.35 117.19 2kuq s TYR 150 Ca 0.00 1.64 0.01 0.00 -0.37 0.00 0.00 57.07 58.34 2kuq s TYR 150 Cb 0.00 -3.45 0.02 0.00 -0.40 0.00 0.00 41.96 38.13 2kuq s TYR 150 CO 0.00 -2.66 -0.05 -1.14 -1.57 0.00 0.00 175.55 170.13 2kuq s GLN 151 N -4.08 0.98 -0.16 -0.62 2.00 -1.26 -5.06 119.66 111.45 2kuq s GLN 151 Ca 0.73 -0.13 -0.28 0.00 -2.00 0.00 0.00 55.36 53.67 2kuq s GLN 151 Cb -0.28 -1.00 0.09 0.00 0.80 0.00 0.00 33.01 32.63 2kuq s GLN 151 CO 0.48 -0.11 0.82 -1.14 -0.50 0.00 0.00 175.29 174.84 2kuq s GLN 152 N 1.09 0.81 0.00 1.67 2.00 -1.26 -5.33 119.66 118.64 2kuq s GLN 152 Ca -0.08 0.45 0.26 0.00 -2.00 0.00 0.00 55.36 53.99 2kuq s GLN 152 Cb -0.14 0.39 0.59 0.00 0.80 0.00 0.00 33.01 34.65 2kuq s GLN 152 CO -0.01 -0.20 1.49 0.00 -0.50 0.00 0.00 175.29 176.07