#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uey s SER 2 N 0.00 5.13 -0.05 1.61 0.15 -1.26 -5.13 113.70 114.16 1uey s SER 2 Ca 0.00 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.18 1uey s SER 2 Cb 0.00 -1.09 0.03 0.00 -1.71 0.00 0.00 66.02 63.25 1uey s SER 2 CO 0.00 -0.14 -0.01 -0.55 1.20 0.00 0.00 173.24 173.74 1uey s SER 3 N -3.84 0.97 -0.08 5.45 0.15 -1.26 -5.13 113.70 109.95 1uey s SER 3 Ca 0.35 -0.07 -0.32 0.00 0.70 0.00 0.00 55.95 56.61 1uey s SER 3 Cb -0.06 -0.35 0.12 0.00 -1.71 0.00 0.00 66.02 64.02 1uey s SER 3 CO 0.24 -0.12 1.14 -0.83 1.20 0.00 0.00 173.24 174.86 1uey s GLY 4 N 1.34 -0.35 -0.12 9.45 0.00 -1.26 -5.16 107.32 111.23 1uey s GLY 4 Ca -0.05 1.16 0.01 0.00 0.00 0.00 0.00 44.72 45.84 1uey s GLY 4 CO -0.02 0.36 -0.16 -0.56 0.00 0.00 0.00 173.10 172.72 1uey s SER 5 N -2.48 3.80 -0.30 1.64 0.01 -1.26 -5.07 113.70 110.04 1uey s SER 5 Ca 0.10 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.99 1uey s SER 5 Cb 0.00 -1.49 0.19 0.00 0.21 0.00 0.00 66.02 64.94 1uey s SER 5 CO -0.05 0.18 0.76 -0.55 0.41 0.00 0.00 173.24 173.99 1uey s SER 6 N 0.25 -1.18 0.00 2.44 0.15 -1.26 -5.15 113.70 108.94 1uey s SER 6 Ca -0.11 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1uey s SER 6 Cb -0.16 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.87 1uey s SER 6 CO 0.06 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1uey n GLY 7 N 5.18 0.14 3.69 9.45 0.00 -1.26 -4.92 105.19 117.48 1uey n GLY 7 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1uey n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uey s PRO 8 N 0.00 4.37 -0.30 1.61 0.04 -1.26 -4.99 135.00 134.48 1uey s PRO 8 Ca 0.00 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 1uey s PRO 8 Cb 0.00 -3.51 0.19 0.00 0.04 0.00 0.00 34.50 31.22 1uey s PRO 8 CO 0.00 -0.40 1.17 -0.08 0.04 0.00 0.00 177.00 177.74 1uey s THR 9 N 1.92 -0.13 -0.87 1.26 -1.32 -1.26 -5.10 115.64 110.14 1uey s THR 9 Ca 0.57 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.80 1uey s THR 9 Cb -0.26 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1uey s THR 9 CO 0.24 0.00 1.66 -2.16 -2.21 0.00 0.00 174.62 172.15 1uey s PRO 10 N 1.76 3.03 -0.28 7.08 0.04 -1.26 -4.88 135.00 140.49 1uey s PRO 10 Ca -0.04 -0.43 -0.24 0.00 0.04 0.00 0.00 61.00 60.34 1uey s PRO 10 Cb -0.03 -4.92 0.11 0.00 0.04 0.00 0.00 34.50 29.71 1uey s PRO 10 CO -0.14 -2.68 0.95 0.00 0.04 0.00 0.00 177.00 175.17 1uey s ALA 11 N 7.47 -1.96 1.00 8.56 0.00 -1.26 -5.18 121.76 130.39 1uey s ALA 11 Ca 0.56 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.48 1uey s ALA 11 Cb -0.05 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1uey s ALA 11 CO 0.02 -0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.16 1uey n PRO 12 N 2.54 0.12 -3.73 0.00 -0.04 -1.26 -5.07 135.00 127.55 1uey n PRO 12 Ca -0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.06 1uey n PRO 12 Cb 0.56 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.85 1uey n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1uey s VAL 13 N -0.59 0.42 0.00 0.52 0.11 -1.26 -5.14 120.40 114.47 1uey s VAL 13 Ca 0.00 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1uey s VAL 13 Cb 0.00 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1uey s VAL 13 CO 0.00 -0.10 0.00 -1.22 -3.33 0.00 0.00 175.10 170.45 1uey n TYR 14 N 5.10 -1.79 0.00 1.54 4.02 -1.26 -4.57 117.16 120.20 1uey n TYR 14 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1uey n TYR 14 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1uey n TYR 14 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1uey n ASP 15 N -1.71 0.00 -0.98 7.72 8.00 -1.26 -5.04 116.55 123.29 1uey n ASP 15 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1uey n ASP 15 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1uey n ASP 15 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1uey n VAL 16 N 0.00 -0.40 -2.42 2.53 0.24 -1.26 -4.59 118.33 112.43 1uey n VAL 16 Ca 0.00 0.44 -0.43 0.00 -2.04 0.00 0.00 64.34 62.31 1uey n VAL 16 Cb 0.00 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 31.67 1uey n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1uey s PRO 17 N -4.42 4.25 1.01 7.34 0.04 -1.25 -4.54 135.00 137.42 1uey s PRO 17 Ca 0.00 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 1uey s PRO 17 Cb 0.00 -3.74 -0.08 0.00 0.04 0.00 0.00 34.50 30.72 1uey s PRO 17 CO 0.00 -0.67 -0.58 0.09 0.04 0.00 0.00 177.00 175.88 1uey n ASN 18 N 6.40 -3.93 -4.77 6.66 5.03 -0.77 -4.46 115.26 119.41 1uey n ASN 18 Ca 0.14 0.13 -0.38 0.00 0.87 0.00 0.00 54.58 55.34 1uey n ASN 18 Cb 0.45 -0.83 -0.04 0.00 -1.02 0.00 0.00 39.78 38.34 1uey n ASN 18 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1uey s PRO 19 N -2.58 4.29 0.94 3.52 0.04 -1.26 -4.45 135.00 135.50 1uey s PRO 19 Ca 0.45 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 1uey s PRO 19 Cb -0.11 -2.72 0.16 0.00 0.04 0.00 0.00 34.50 31.87 1uey s PRO 19 CO 0.73 -0.05 1.15 -1.25 0.04 0.00 0.00 177.00 177.63 1uey s PRO 20 N -2.21 0.86 0.32 0.56 0.04 -1.26 -4.15 135.00 129.16 1uey s PRO 20 Ca 0.54 0.18 -0.09 0.00 0.04 0.00 0.00 61.00 61.67 1uey s PRO 20 Cb -0.25 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1uey s PRO 20 CO 0.31 -2.37 0.54 -0.59 0.04 0.00 0.00 177.00 174.94 1uey s PHE 21 N -3.32 0.64 -0.49 0.56 -0.71 -0.45 -4.23 117.98 109.98 1uey s PHE 21 Ca 0.66 -1.00 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 1uey s PHE 21 Cb -0.13 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1uey s PHE 21 CO 0.53 -1.18 0.00 -3.47 -1.34 0.00 0.00 175.22 169.76 1uey n ASP 22 N -1.08 -4.25 -4.62 1.98 -0.08 -1.26 -2.20 116.55 105.05 1uey n ASP 22 Ca -0.02 0.11 -0.50 0.00 -1.51 0.00 0.00 54.79 52.88 1uey n ASP 22 Cb 0.61 -2.15 -0.05 0.00 2.34 0.00 0.00 41.12 41.87 1uey n ASP 22 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1uey n LEU 23 N -0.52 2.13 -3.52 -2.67 4.32 -1.26 -4.77 117.00 110.71 1uey n LEU 23 Ca -0.05 1.11 -0.16 0.00 -0.02 0.00 0.00 56.01 56.89 1uey n LEU 23 Cb 0.27 -1.27 -0.05 0.00 -1.62 0.00 0.00 43.42 40.74 1uey n LEU 23 CO 0.07 -0.80 0.49 -1.61 -1.22 0.00 0.00 177.39 174.32 1uey s GLU 24 N 0.60 1.01 -0.38 3.23 2.02 -0.48 -4.38 118.70 120.32 1uey s GLU 24 Ca 0.82 0.13 -0.14 0.00 0.02 0.00 0.00 54.97 55.80 1uey s GLU 24 Cb -0.86 0.47 0.01 0.00 0.10 0.00 0.00 34.13 33.85 1uey s GLU 24 CO 0.44 -0.34 0.27 -0.51 0.02 0.00 0.00 175.26 175.14 1uey s LEU 25 N -1.42 4.87 -0.17 1.80 2.01 -1.26 -0.55 118.68 123.95 1uey s LEU 25 Ca -0.08 -0.75 -0.01 0.00 0.01 0.00 0.00 54.13 53.31 1uey s LEU 25 Cb -0.00 -2.14 0.04 0.00 0.01 0.00 0.00 46.19 44.11 1uey s LEU 25 CO 0.05 -0.37 -0.04 0.42 1.01 0.00 0.00 176.35 177.42 1uey s THR 26 N 1.68 1.03 -0.00 5.49 -4.23 -0.79 -4.97 115.64 113.84 1uey s THR 26 Ca 0.05 -0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 59.87 1uey s THR 26 Cb -0.18 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.40 1uey s THR 26 CO 0.10 0.07 0.13 1.51 -0.54 0.00 0.00 174.62 175.89 1uey s ASP 27 N 1.66 0.02 -0.35 3.99 -4.77 -1.26 -3.95 116.67 112.01 1uey s ASP 27 Ca 0.00 -0.16 0.14 0.00 -3.30 0.00 0.00 52.55 49.22 1uey s ASP 27 Cb -0.16 0.21 0.42 0.00 -1.09 0.00 0.00 42.92 42.31 1uey s ASP 27 CO -0.07 -0.33 1.29 0.00 0.70 0.00 0.00 175.17 176.76 1uey n GLN 28 N 1.63 1.30 0.00 2.11 6.02 -1.26 -5.00 117.38 122.19 1uey n GLN 28 Ca -0.22 -2.17 0.00 0.00 -0.01 0.00 0.00 57.00 54.61 1uey n GLN 28 Cb 0.56 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 31.46 1uey n GLN 28 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1uey n LEU 29 N -0.74 0.00 0.00 1.08 -0.00 -1.26 -5.09 117.00 110.99 1uey n LEU 29 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1uey n LEU 29 Cb 0.85 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.26 1uey n LEU 29 CO -0.01 -0.16 0.00 0.47 -0.00 0.00 0.00 177.39 177.69 1uey n ASP 30 N -1.50 0.00 -0.25 1.96 8.00 -1.26 -5.00 116.55 118.50 1uey n ASP 30 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1uey n ASP 30 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1uey n ASP 30 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1uey n LYS 31 N 0.00 -0.26 -1.07 -1.24 4.01 -1.26 -4.85 118.16 113.50 1uey n LYS 31 Ca 0.00 1.28 0.00 0.00 -0.51 0.00 0.00 58.31 59.08 1uey n LYS 31 Cb 0.00 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 32.63 1uey n LYS 31 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1uey n SER 32 N -4.34 0.00 -4.86 4.39 7.64 -1.26 -5.06 113.62 110.13 1uey n SER 32 Ca 0.01 -0.98 -0.23 0.00 1.01 0.00 0.00 58.87 58.68 1uey n SER 32 Cb 0.15 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 1uey n SER 32 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1uey s VAL 33 N -2.91 4.71 -0.11 0.44 0.11 -1.19 -4.69 120.40 116.75 1uey s VAL 33 Ca 0.00 -1.18 0.04 0.00 -2.93 0.00 0.00 61.98 57.91 1uey s VAL 33 Cb 0.00 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1uey s VAL 33 CO 0.00 -0.27 -0.23 -1.58 -3.33 0.00 0.00 175.10 169.69 1uey s GLN 34 N -3.65 3.03 -0.29 1.54 -0.44 -1.25 0.13 119.66 118.73 1uey s GLN 34 Ca 0.33 -0.87 -0.20 0.00 -2.50 0.00 0.00 55.36 52.12 1uey s GLN 34 Cb -0.09 -2.33 -0.01 0.00 -1.64 0.00 0.00 33.01 28.93 1uey s GLN 34 CO 0.26 0.12 0.59 -1.17 0.50 0.00 0.00 175.29 175.59 1uey s LEU 35 N 0.49 4.13 -0.22 3.68 2.96 0.10 -1.88 118.68 127.95 1uey s LEU 35 Ca -0.15 0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 54.10 1uey s LEU 35 Cb -0.17 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 1uey s LEU 35 CO 0.06 -0.42 0.15 -0.44 -1.32 0.00 0.00 176.35 174.37 1uey s SER 36 N 1.61 6.18 0.13 3.68 0.01 0.28 -2.63 113.70 122.96 1uey s SER 36 Ca 0.24 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.71 1uey s SER 36 Cb -0.15 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1uey s SER 36 CO 0.11 0.13 -0.06 -1.66 0.41 0.00 0.00 173.24 172.17 1uey s TRP 37 N 0.65 1.08 -0.21 2.43 -2.14 -1.06 -1.38 118.94 118.32 1uey s TRP 37 Ca 0.08 -0.89 0.00 0.00 2.66 0.00 0.00 56.10 57.95 1uey s TRP 37 Cb -0.12 -0.60 0.05 0.00 -3.10 0.00 0.00 33.47 29.71 1uey s TRP 37 CO 0.01 -0.09 -0.05 0.99 -2.66 0.00 0.00 176.95 175.15 1uey s THR 38 N -3.54 1.32 -0.49 0.66 2.01 -0.93 -4.83 115.64 109.84 1uey s THR 38 Ca 0.16 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 1uey s THR 38 Cb 0.05 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1uey s THR 38 CO -0.01 -0.01 1.45 -2.16 -0.69 0.00 0.00 174.62 173.20 1uey s PRO 39 N 1.51 3.39 0.00 4.92 0.04 -1.26 -1.34 135.00 142.26 1uey s PRO 39 Ca -0.03 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1uey s PRO 39 Cb -0.17 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1uey s PRO 39 CO -0.07 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1uey n GLY 40 N 5.21 -3.64 3.70 0.56 0.00 -1.26 -4.89 105.19 104.87 1uey n GLY 40 Ca 0.15 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1uey n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uey s ASP 41 N -2.00 3.60 -0.01 1.61 1.01 -1.26 -4.86 116.67 114.76 1uey s ASP 41 Ca 0.00 2.33 0.14 0.00 0.71 0.00 0.00 52.55 55.73 1uey s ASP 41 Cb 0.00 -2.58 -0.20 0.00 1.01 0.00 0.00 42.92 41.14 1uey s ASP 41 CO 0.00 -2.66 0.38 0.47 0.21 0.00 0.00 175.17 173.58 1uey n ASP 42 N -3.34 1.47 -3.04 0.27 8.00 -1.26 -1.84 116.55 116.80 1uey n ASP 42 Ca 0.13 -0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.40 1uey n ASP 42 Cb 0.51 1.48 0.01 0.00 -0.02 0.00 0.00 41.12 43.10 1uey n ASP 42 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uey n ASN 43 N -1.82 -7.43 0.00 -2.24 5.03 -1.26 -3.26 115.26 104.27 1uey n ASN 43 Ca -0.01 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.27 1uey n ASN 43 Cb 0.33 -5.15 0.00 0.00 -1.02 0.00 0.00 39.78 33.94 1uey n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uey n ASN 44 N -1.97 0.00 -4.64 6.41 3.02 -1.26 -4.23 115.26 112.58 1uey n ASN 44 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 1uey n ASN 44 Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 1uey n ASN 44 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1uey s SER 45 N 0.00 6.58 0.34 6.41 0.01 -1.20 -4.98 113.70 120.86 1uey s SER 45 Ca 0.00 1.61 -0.27 0.00 1.31 0.00 0.00 55.95 58.61 1uey s SER 45 Cb 0.00 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1uey s SER 45 CO 0.00 -1.09 1.06 -2.16 0.41 0.00 0.00 173.24 171.47 1uey s PRO 46 N 4.27 4.39 0.42 12.44 0.04 -1.26 -4.56 135.00 150.74 1uey s PRO 46 Ca 0.65 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 63.08 1uey s PRO 46 Cb -0.23 -2.84 -0.10 0.00 0.04 0.00 0.00 34.50 31.36 1uey s PRO 46 CO 0.25 0.03 1.16 -0.89 0.04 0.00 0.00 177.00 177.59 1uey n ILE 47 N 0.52 2.51 0.00 0.56 2.08 -1.26 -4.53 119.36 119.24 1uey n ILE 47 Ca 0.02 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.83 1uey n ILE 47 Cb 0.47 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 1uey n ILE 47 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1uey n THR 48 N -0.31 0.00 -3.94 1.39 -2.24 -0.43 -4.60 114.28 104.15 1uey n THR 48 Ca 0.08 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1uey n THR 48 Cb 0.39 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 1uey n THR 48 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1uey s LYS 49 N -1.86 0.78 -0.22 -0.78 2.20 -0.90 0.20 119.74 119.15 1uey s LYS 49 Ca 0.00 -1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1uey s LYS 49 Cb 0.00 0.30 0.07 0.00 -1.51 0.00 0.00 37.83 36.69 1uey s LYS 49 CO 0.00 -0.22 0.05 -0.06 -0.36 0.00 0.00 175.35 174.77 1uey s PHE 50 N -3.88 1.11 0.33 4.03 0.08 0.43 -1.62 117.98 118.45 1uey s PHE 50 Ca 0.06 -1.03 -0.10 0.00 0.12 0.00 0.00 56.93 55.98 1uey s PHE 50 Cb 0.06 -1.15 -0.07 0.00 -0.57 0.00 0.00 43.02 41.29 1uey s PHE 50 CO -0.10 -0.68 0.66 0.42 -0.10 0.00 0.00 175.22 175.42 1uey s ILE 51 N 1.83 4.86 0.09 0.64 1.09 0.01 -0.17 121.20 129.55 1uey s ILE 51 Ca 0.02 0.49 0.04 0.00 -1.10 0.00 0.00 60.65 60.10 1uey s ILE 51 Cb -0.17 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.50 1uey s ILE 51 CO -0.14 -0.32 -0.10 -0.63 -0.10 0.00 0.00 174.94 173.65 1uey s ILE 52 N -2.12 0.93 0.26 2.92 1.01 0.28 0.24 121.20 124.71 1uey s ILE 52 Ca 0.49 -1.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 1uey s ILE 52 Cb -0.11 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 1uey s ILE 52 CO 0.27 -0.55 0.46 -1.61 0.00 0.00 0.00 174.94 173.51 1uey s GLU 53 N -2.73 1.57 0.15 2.79 2.02 0.42 -1.69 118.70 121.24 1uey s GLU 53 Ca 0.05 -1.34 -0.21 0.00 0.02 0.00 0.00 54.97 53.48 1uey s GLU 53 Cb -0.03 0.45 0.06 0.00 0.10 0.00 0.00 34.13 34.71 1uey s GLU 53 CO 0.00 -0.65 0.55 1.52 0.02 0.00 0.00 175.26 176.71 1uey s TYR 54 N -3.89 -0.45 0.04 1.61 -0.85 -1.15 -0.13 117.35 112.53 1uey s TYR 54 Ca 0.25 0.21 0.03 0.00 -0.52 0.00 0.00 57.07 57.03 1uey s TYR 54 Cb -0.00 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1uey s TYR 54 CO 0.11 -0.82 -0.09 -1.83 -1.52 0.00 0.00 175.55 171.40 1uey s GLU 55 N -3.77 0.58 -0.80 -3.49 4.04 -1.24 -0.70 118.70 113.31 1uey s GLU 55 Ca 0.02 -0.67 -0.19 0.00 0.04 0.00 0.00 54.97 54.17 1uey s GLU 55 Cb -0.00 -0.44 0.12 0.00 0.02 0.00 0.00 34.13 33.83 1uey s GLU 55 CO -0.12 0.09 0.97 0.34 -1.84 0.00 0.00 175.26 174.70 1uey s ASP 56 N -1.26 6.47 0.00 0.83 -1.08 -1.23 -2.51 116.67 117.89 1uey s ASP 56 Ca -0.06 -1.80 0.26 0.00 -0.52 0.00 0.00 52.55 50.43 1uey s ASP 56 Cb -0.08 -2.36 1.41 0.00 -1.46 0.00 0.00 42.92 40.43 1uey s ASP 56 CO 0.01 -1.09 1.90 0.00 0.52 0.00 0.00 175.17 176.51 1uey n ALA 57 N 6.42 2.37 1.11 3.66 0.00 -0.73 0.83 120.51 134.17 1uey n ALA 57 Ca 0.11 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1uey n ALA 57 Cb 0.47 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.65 1uey n ALA 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1uey n MET 58 N -1.19 1.12 0.15 0.00 0.00 -1.09 -4.56 117.12 111.55 1uey n MET 58 Ca 0.15 -0.84 0.00 0.00 -0.00 0.00 0.00 57.70 57.01 1uey n MET 58 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1uey n MET 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1uey n HIS 59 N -0.21 -2.64 -3.65 1.12 8.25 -0.95 -4.96 115.22 112.19 1uey n HIS 59 Ca 0.11 0.49 -0.29 0.00 -0.26 0.00 0.00 57.72 57.76 1uey n HIS 59 Cb 0.42 0.70 -0.13 0.00 1.12 0.00 0.00 29.99 32.11 1uey n HIS 59 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uey s LYS 60 N -1.97 0.99 -0.10 -0.41 3.01 0.24 -5.09 119.74 116.42 1uey s LYS 60 Ca 0.00 -1.66 -0.30 0.00 -1.01 0.00 0.00 55.97 53.00 1uey s LYS 60 Cb 0.00 -2.00 -0.03 0.00 -1.01 0.00 0.00 37.83 34.79 1uey s LYS 60 CO 0.00 -1.14 1.24 -1.25 0.51 0.00 0.00 175.35 174.71 1uey s PRO 61 N 0.76 4.29 0.00 -1.68 0.04 -0.84 -2.83 135.00 134.75 1uey s PRO 61 Ca 0.16 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1uey s PRO 61 Cb -0.23 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1uey s PRO 61 CO -0.04 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1uey n GLY 62 N 3.50 2.30 3.55 0.56 0.00 -1.26 -5.00 105.19 108.83 1uey n GLY 62 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1uey n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uey s LEU 63 N 0.00 3.32 0.01 0.99 2.96 -1.13 -4.99 118.68 119.84 1uey s LEU 63 Ca 0.00 -0.36 -0.15 0.00 -0.22 0.00 0.00 54.13 53.40 1uey s LEU 63 Cb 0.00 -2.69 -0.06 0.00 0.50 0.00 0.00 46.19 43.94 1uey s LEU 63 CO 0.00 -1.72 0.43 0.26 -1.32 0.00 0.00 176.35 174.00 1uey s TRP 64 N 5.43 3.74 -0.01 5.38 0.52 -1.26 -3.81 118.94 128.94 1uey s TRP 64 Ca 0.36 1.04 0.05 0.00 0.02 0.00 0.00 56.10 57.56 1uey s TRP 64 Cb -0.08 -2.33 -0.01 0.00 -1.15 0.00 0.00 33.47 29.90 1uey s TRP 64 CO 0.17 0.63 -0.15 -1.01 0.02 0.00 0.00 176.95 176.61 1uey s HIS 65 N -1.06 1.33 -0.06 -1.98 3.76 0.12 -4.93 115.29 112.47 1uey s HIS 65 Ca 0.25 -0.25 -0.36 0.00 -0.15 0.00 0.00 55.06 54.55 1uey s HIS 65 Cb -0.17 -0.85 -0.13 0.00 1.11 0.00 0.00 32.58 32.53 1uey s HIS 65 CO 0.14 -0.02 1.74 1.58 -0.85 0.00 0.00 174.74 177.33 1uey n HIS 66 N 2.70 2.19 0.00 1.40 -0.00 -1.26 -2.93 115.22 117.31 1uey n HIS 66 Ca -0.14 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1uey n HIS 66 Cb 0.55 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.85 1uey n HIS 66 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1uey n GLN 67 N 5.30 0.00 -3.58 1.57 -0.06 -0.68 -4.95 117.38 114.98 1uey n GLN 67 Ca 0.22 0.02 -0.08 0.00 -2.00 0.00 0.00 57.00 55.16 1uey n GLN 67 Cb 0.25 -0.28 -0.04 0.00 -4.06 0.00 0.00 30.24 26.11 1uey n GLN 67 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1uey s THR 68 N -0.46 0.00 0.28 1.69 -1.32 -1.19 -5.00 115.64 109.64 1uey s THR 68 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1uey s THR 68 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1uey s THR 68 CO 0.00 0.00 -0.15 -1.83 -2.21 0.00 0.00 174.62 170.43 1uey s GLU 69 N -1.55 1.63 0.20 7.08 4.04 -1.26 -0.56 118.70 128.29 1uey s GLU 69 Ca 0.03 -1.78 0.04 0.00 0.04 0.00 0.00 54.97 53.30 1uey s GLU 69 Cb -0.01 -1.57 -0.01 0.00 0.02 0.00 0.00 34.13 32.56 1uey s GLU 69 CO -0.03 0.23 0.14 1.33 -1.84 0.00 0.00 175.26 175.10 1uey n VAL 70 N -0.61 0.00 -1.39 1.83 0.24 0.76 -4.93 118.33 114.22 1uey n VAL 70 Ca -0.06 -1.37 -0.29 0.00 -2.04 0.00 0.00 64.34 60.59 1uey n VAL 70 Cb 0.61 0.65 0.15 0.00 -1.47 0.00 0.00 33.84 33.78 1uey n VAL 70 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1uey s SER 71 N -2.33 3.19 -0.16 -1.34 0.01 -1.26 -0.43 113.70 111.38 1uey s SER 71 Ca 0.20 1.06 0.06 0.00 1.31 0.00 0.00 55.95 58.58 1uey s SER 71 Cb 0.01 -1.67 0.42 0.00 0.21 0.00 0.00 66.02 64.98 1uey s SER 71 CO 0.14 -2.76 1.25 0.61 0.41 0.00 0.00 173.24 172.89 1uey n GLY 72 N -1.77 2.57 0.02 3.44 0.00 0.54 -3.73 105.19 106.27 1uey n GLY 72 Ca 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 1uey n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uey n THR 73 N 0.14 0.27 -2.88 2.61 -1.04 -1.26 -4.57 114.28 107.54 1uey n THR 73 Ca 0.19 -0.14 -0.26 0.00 -2.04 0.00 0.00 64.05 61.80 1uey n THR 73 Cb 0.86 -0.80 -0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1uey n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uey s GLN 74 N -2.09 3.51 -0.00 -2.82 -2.07 -1.24 -5.01 119.66 109.93 1uey s GLN 74 Ca -0.04 0.01 0.07 0.00 -1.82 0.00 0.00 55.36 53.58 1uey s GLN 74 Cb 0.01 -2.47 0.12 0.00 -1.09 0.00 0.00 33.01 29.58 1uey s GLN 74 CO 0.14 -0.09 1.05 0.25 -1.32 0.00 0.00 175.29 175.31 1uey n THR 75 N -2.11 0.05 -3.63 3.63 -2.24 -1.26 -4.84 114.28 103.89 1uey n THR 75 Ca -0.01 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 1uey n THR 75 Cb 0.56 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 69.25 1uey n THR 75 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uey s THR 76 N -0.08 -0.34 -0.02 4.28 -4.23 -1.26 -2.56 115.64 111.43 1uey s THR 76 Ca 0.10 0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 1uey s THR 76 Cb 0.11 -0.43 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 1uey s THR 76 CO -0.04 0.07 -0.15 0.00 -0.54 0.00 0.00 174.62 173.95 1uey s ALA 77 N 2.35 1.27 0.25 3.99 0.00 -1.08 -4.93 121.76 123.62 1uey s ALA 77 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1uey s ALA 77 Cb -0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1uey s ALA 77 CO -0.08 0.27 1.25 -1.14 0.00 0.00 0.00 175.76 176.06 1uey s GLN 78 N -0.14 4.45 -0.16 0.00 0.74 -1.26 0.02 119.66 123.31 1uey s GLN 78 Ca 0.01 2.02 -0.00 0.00 0.05 0.00 0.00 55.36 57.44 1uey s GLN 78 Cb -0.08 -3.17 -0.00 0.00 1.10 0.00 0.00 33.01 30.86 1uey s GLN 78 CO 0.00 -0.12 -0.13 -0.51 -0.55 0.00 0.00 175.29 173.98 1uey s LEU 79 N -0.84 2.57 -0.50 3.68 1.43 0.35 -4.87 118.68 120.50 1uey s LEU 79 Ca 0.52 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.94 1uey s LEU 79 Cb -0.36 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1uey s LEU 79 CO 0.42 0.08 0.85 0.21 0.23 0.00 0.00 176.35 178.14 1uey s ASN 80 N 0.87 6.37 0.27 2.29 3.84 -1.26 -3.17 114.94 124.14 1uey s ASN 80 Ca -0.04 -0.27 0.06 0.00 0.21 0.00 0.00 52.86 52.83 1uey s ASN 80 Cb -0.15 -2.40 -0.03 0.00 -0.55 0.00 0.00 41.25 38.12 1uey s ASN 80 CO -0.00 -1.05 0.29 -0.76 -2.79 0.00 0.00 177.10 172.78 1uey s LEU 81 N 3.54 3.96 0.12 3.21 1.43 -1.26 -5.11 118.68 124.57 1uey s LEU 81 Ca 0.29 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1uey s LEU 81 Cb -0.13 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1uey s LEU 81 CO 0.21 -0.13 0.01 -0.44 0.23 0.00 0.00 176.35 176.22 1uey s SER 82 N -3.94 0.72 0.38 2.29 0.01 -1.26 -5.10 113.70 106.81 1uey s SER 82 Ca 0.36 -1.13 -0.25 0.00 1.31 0.00 0.00 55.95 56.24 1uey s SER 82 Cb -0.08 0.20 -0.09 0.00 0.21 0.00 0.00 66.02 66.26 1uey s SER 82 CO 0.27 -0.62 1.06 -2.16 0.41 0.00 0.00 173.24 172.20 1uey s PRO 83 N -3.96 4.22 -0.55 12.44 0.04 -1.26 -4.26 135.00 141.67 1uey s PRO 83 Ca 0.19 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 1uey s PRO 83 Cb 0.07 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1uey s PRO 83 CO -0.01 -0.10 0.59 0.66 0.04 0.00 0.00 177.00 178.18 1uey n TYR 84 N 0.09 -2.82 0.00 0.56 4.01 -1.26 -5.01 117.16 112.73 1uey n TYR 84 Ca 0.04 1.10 0.00 0.00 -0.16 0.00 0.00 57.90 58.88 1uey n TYR 84 Cb 0.49 -3.81 0.00 0.00 -0.31 0.00 0.00 39.34 35.71 1uey n TYR 84 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1uey n VAL 85 N -1.16 0.00 -4.18 -0.72 3.14 -1.26 -5.13 118.33 109.02 1uey n VAL 85 Ca 0.04 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.08 1uey n VAL 85 Cb 0.46 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.14 1uey n VAL 85 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1uey s ASN 86 N 0.00 5.39 0.10 6.55 3.04 -1.26 -4.49 114.94 124.26 1uey s ASN 86 Ca 0.00 0.07 -0.26 0.00 0.04 0.00 0.00 52.86 52.71 1uey s ASN 86 Cb 0.00 -1.81 0.08 0.00 -1.54 0.00 0.00 41.25 37.98 1uey s ASN 86 CO 0.00 0.24 0.85 -0.72 -3.04 0.00 0.00 177.10 174.43 1uey s TYR 87 N -0.03 -0.30 0.46 0.43 1.13 -1.25 -1.77 117.35 116.02 1uey s TYR 87 Ca 0.05 0.07 0.06 0.00 -1.41 0.00 0.00 57.07 55.83 1uey s TYR 87 Cb -0.12 0.59 0.06 0.00 -1.10 0.00 0.00 41.96 41.39 1uey s TYR 87 CO 0.02 -0.75 0.52 0.43 -2.51 0.00 0.00 175.55 173.26 1uey n SER 88 N -0.36 1.98 -3.82 -0.18 7.64 -1.04 -3.17 113.62 114.67 1uey n SER 88 Ca -0.09 -2.35 -0.18 0.00 1.01 0.00 0.00 58.87 57.26 1uey n SER 88 Cb 0.62 -0.22 -0.16 0.00 -1.01 0.00 0.00 64.21 63.44 1uey n SER 88 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1uey s PHE 89 N -2.01 0.39 0.04 1.43 0.08 -1.26 -3.71 117.98 112.94 1uey s PHE 89 Ca 0.39 -0.03 0.09 0.00 0.12 0.00 0.00 56.93 57.50 1uey s PHE 89 Cb -0.03 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1uey s PHE 89 CO 0.25 -0.16 -0.25 -0.98 -0.10 0.00 0.00 175.22 173.98 1uey s ARG 90 N 1.15 1.69 0.04 0.44 1.70 0.82 -1.44 118.95 123.34 1uey s ARG 90 Ca -0.08 -1.06 0.08 0.00 -0.47 0.00 0.00 55.73 54.19 1uey s ARG 90 Cb -0.13 -1.85 -0.03 0.00 -0.57 0.00 0.00 34.95 32.36 1uey s ARG 90 CO -0.02 0.48 -0.20 0.08 -1.08 0.00 0.00 175.30 174.56 1uey s VAL 91 N -0.80 2.60 0.11 4.99 1.01 -1.26 -0.44 120.40 126.61 1uey s VAL 91 Ca 0.11 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1uey s VAL 91 Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1uey s VAL 91 CO 0.02 0.36 -0.13 -0.04 0.00 0.00 0.00 175.10 175.31 1uey s MET 92 N -1.32 0.98 -0.01 2.72 -1.94 0.66 0.59 119.30 120.97 1uey s MET 92 Ca 0.13 -1.21 0.07 0.00 -1.71 0.00 0.00 55.69 52.97 1uey s MET 92 Cb -0.10 -0.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.90 1uey s MET 92 CO 0.04 0.15 -0.22 0.00 -0.01 0.00 0.00 175.02 174.98 1uey s ALA 93 N -2.18 1.84 -0.03 3.03 0.00 -1.26 -0.81 121.76 122.35 1uey s ALA 93 Ca 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1uey s ALA 93 Cb -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1uey s ALA 93 CO 0.02 0.45 -0.05 0.08 0.00 0.00 0.00 175.76 176.26 1uey s VAL 94 N -0.55 0.51 0.00 0.00 1.01 -0.64 -0.65 120.40 120.08 1uey s VAL 94 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1uey s VAL 94 Cb -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1uey s VAL 94 CO -0.01 0.19 0.00 -0.46 0.00 0.00 0.00 175.10 174.82 1uey n ASN 95 N 3.58 0.82 -0.32 3.32 0.23 -0.71 -1.31 115.26 120.87 1uey n ASN 95 Ca -0.21 -0.98 0.18 0.00 -0.53 0.00 0.00 54.58 53.04 1uey n ASN 95 Cb 0.53 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.67 1uey n ASN 95 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1uey h SER 96 N 0.00 0.58 0.00 0.53 0.87 -1.91 -3.05 113.55 110.57 1uey h SER 96 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1uey h SER 96 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1uey h SER 96 CO 0.00 0.17 0.00 -0.38 -0.53 0.00 0.00 176.83 176.09 1uey n ILE 97 N -4.68 0.00 -2.17 2.23 2.08 -1.26 -5.06 119.36 110.50 1uey n ILE 97 Ca 0.24 0.70 0.00 0.00 0.56 0.00 0.00 62.75 64.25 1uey n ILE 97 Cb 0.72 -1.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.10 1uey n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uey n GLY 98 N 0.21 2.47 3.88 7.39 0.00 -1.16 -5.02 105.19 112.97 1uey n GLY 98 Ca 0.00 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1uey n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uey s LYS 99 N 1.07 3.62 0.40 1.61 2.20 -1.26 -1.73 119.74 125.65 1uey s LYS 99 Ca 0.00 0.00 0.03 0.00 -0.36 0.00 0.00 55.97 55.64 1uey s LYS 99 Cb 0.00 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1uey s LYS 99 CO 0.00 0.67 0.58 -1.54 -0.36 0.00 0.00 175.35 174.70 1uey s SER 100 N -1.52 5.88 1.01 1.43 1.04 0.17 -4.94 113.70 116.78 1uey s SER 100 Ca 0.25 0.06 -0.14 0.00 0.48 0.00 0.00 55.95 56.61 1uey s SER 100 Cb -0.14 -1.38 0.09 0.00 0.10 0.00 0.00 66.02 64.70 1uey s SER 100 CO 0.14 -0.59 0.44 0.18 0.98 0.00 0.00 173.24 174.38 1uey n LEU 101 N -1.89 -0.46 -4.74 2.42 4.77 -1.26 -4.51 117.00 111.33 1uey n LEU 101 Ca 0.01 0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 1uey n LEU 101 Cb 0.58 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.45 1uey n LEU 101 CO 0.45 -3.28 0.81 -2.16 -1.33 0.00 0.00 177.39 171.88 1uey s PRO 102 N -3.77 4.57 0.94 3.23 0.04 -1.26 -4.63 135.00 134.12 1uey s PRO 102 Ca 0.59 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 1uey s PRO 102 Cb -0.19 -3.27 -0.10 0.00 0.04 0.00 0.00 34.50 30.98 1uey s PRO 102 CO 0.66 0.03 -0.39 -1.13 0.04 0.00 0.00 177.00 176.21 1uey n SER 103 N 2.46 -4.64 0.00 6.66 3.41 0.20 -4.84 113.62 116.86 1uey n SER 103 Ca 0.03 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1uey n SER 103 Cb 0.46 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1uey n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uey n GLU 104 N 1.19 0.00 0.00 4.33 1.02 -1.26 -4.65 120.64 121.26 1uey n GLU 104 Ca 0.01 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1uey n GLU 104 Cb 0.55 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1uey n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uey n ALA 105 N -1.11 0.00 -0.92 0.62 0.00 -1.26 -5.00 120.51 112.84 1uey n ALA 105 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1uey n ALA 105 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1uey n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uey n SER 106 N 0.00 -3.91 -4.51 0.00 3.41 -0.52 -4.83 113.62 103.25 1uey n SER 106 Ca 0.00 0.11 -0.34 0.00 -0.26 0.00 0.00 58.87 58.37 1uey n SER 106 Cb 0.00 -0.79 0.10 0.00 -0.26 0.00 0.00 64.21 63.26 1uey n SER 106 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1uey n GLU 107 N 1.09 0.06 -2.52 4.33 0.28 -1.26 -4.31 120.64 118.31 1uey n GLU 107 Ca -0.00 0.08 -0.41 0.00 -0.16 0.00 0.00 57.16 56.67 1uey n GLU 107 Cb 0.62 -2.01 -0.03 0.00 1.43 0.00 0.00 31.44 31.46 1uey n GLU 107 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1uey s GLN 108 N -3.43 3.31 0.02 3.44 -0.21 -1.26 -4.46 119.66 117.07 1uey s GLN 108 Ca 0.65 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.18 1uey s GLN 108 Cb -0.29 -4.65 -0.04 0.00 1.00 0.00 0.00 33.01 29.03 1uey s GLN 108 CO 0.59 -2.22 0.98 -0.47 -2.12 0.00 0.00 175.29 172.05 1uey s TYR 109 N 5.67 3.68 -0.03 0.91 6.14 -1.19 -4.71 117.35 127.82 1uey s TYR 109 Ca 0.41 1.71 0.02 0.00 0.64 0.00 0.00 57.07 59.85 1uey s TYR 109 Cb -0.05 -3.12 0.01 0.00 0.42 0.00 0.00 41.96 39.22 1uey s TYR 109 CO 0.05 -0.01 -0.08 -1.17 0.64 0.00 0.00 175.55 174.98 1uey s LEU 110 N 0.84 1.73 0.73 6.97 2.96 -1.26 -3.89 118.68 126.76 1uey s LEU 110 Ca 0.51 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 1uey s LEU 110 Cb -0.22 -0.54 0.10 0.00 0.50 0.00 0.00 46.19 46.03 1uey s LEU 110 CO 0.28 0.05 1.03 0.42 -1.32 0.00 0.00 176.35 176.81 1uey s THR 111 N 0.29 2.24 0.01 3.68 -4.23 -1.26 -4.65 115.64 111.72 1uey s THR 111 Ca -0.05 -0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 59.81 1uey s THR 111 Cb -0.09 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1uey s THR 111 CO 0.01 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.66 1uey s LYS 112 N -5.26 4.46 -0.41 3.99 -0.14 -1.26 -4.66 119.74 116.45 1uey s LYS 112 Ca 0.63 1.61 0.08 0.00 -1.36 0.00 0.00 55.97 56.93 1uey s LYS 112 Cb -0.08 -3.44 0.26 0.00 -1.68 0.00 0.00 37.83 32.89 1uey s LYS 112 CO 0.45 -0.23 0.66 0.00 -0.76 0.00 0.00 175.35 175.47 1uey n ALA 113 N 4.23 1.35 -3.36 5.17 0.00 -1.26 -4.44 120.51 122.20 1uey n ALA 113 Ca 0.08 -2.85 -0.24 0.00 0.00 0.00 0.00 53.44 50.43 1uey n ALA 113 Cb 0.48 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 19.03 1uey n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uey n SER 114 N 1.29 -6.22 -3.64 0.00 2.88 -1.26 -4.86 113.62 101.80 1uey n SER 114 Ca 0.18 -0.44 -0.03 0.00 -1.33 0.00 0.00 58.87 57.25 1uey n SER 114 Cb 0.58 -4.95 -0.07 0.00 -0.75 0.00 0.00 64.21 59.02 1uey n SER 114 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1uey s GLU 115 N -6.07 0.36 0.00 -1.46 2.12 -1.26 -5.18 118.70 107.22 1uey s GLU 115 Ca 0.47 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.38 1uey s GLU 115 Cb -0.21 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1uey s GLU 115 CO 0.58 -0.07 0.00 -0.35 -0.54 0.00 0.00 175.26 174.88 1uey n PRO 116 N 3.32 0.58 -0.70 4.30 -0.04 -1.26 -4.76 135.00 136.44 1uey n PRO 116 Ca -0.17 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.38 1uey n PRO 116 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 1uey n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1uey n ASP 117 N -0.84 -4.18 -3.77 3.54 2.03 -1.26 -4.76 116.55 107.30 1uey n ASP 117 Ca 0.00 0.44 -0.29 0.00 0.52 0.00 0.00 54.79 55.46 1uey n ASP 117 Cb 0.00 -2.22 -0.12 0.00 -0.72 0.00 0.00 41.12 38.06 1uey n ASP 117 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1uey s LYS 118 N -2.34 1.75 -0.16 -0.67 3.01 -1.26 -4.95 119.74 115.12 1uey s LYS 118 Ca 0.00 -2.59 -0.11 0.00 -1.01 0.00 0.00 55.97 52.26 1uey s LYS 118 Cb 0.00 -2.75 0.04 0.00 -1.01 0.00 0.00 37.83 34.11 1uey s LYS 118 CO 0.00 -1.23 0.23 -1.71 0.51 0.00 0.00 175.35 173.15 1uey n ASN 119 N 2.83 -1.28 -0.01 2.83 2.85 -1.26 -4.85 115.26 116.37 1uey n ASN 119 Ca 0.15 1.40 -0.12 0.00 -0.11 0.00 0.00 54.58 55.90 1uey n ASN 119 Cb 0.36 -5.22 -0.10 0.00 1.24 0.00 0.00 39.78 36.07 1uey n ASN 119 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1uey h PRO 120 N 4.18 -0.07 -6.02 1.20 0.13 -1.93 -3.39 132.00 126.11 1uey h PRO 120 Ca -0.52 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.04 1uey h PRO 120 Cb 1.17 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1uey h PRO 120 CO 0.01 0.55 1.53 0.95 -0.23 0.00 0.00 178.00 180.81 1uey s THR 121 N -3.09 3.90 -0.29 1.56 -4.23 -1.26 -4.95 115.64 107.27 1uey s THR 121 Ca -0.15 -0.90 -0.20 0.00 -1.18 0.00 0.00 61.69 59.26 1uey s THR 121 Cb -0.01 -4.97 -0.01 0.00 1.34 0.00 0.00 72.50 68.85 1uey s THR 121 CO 0.57 -1.84 0.61 -0.44 -0.54 0.00 0.00 174.62 172.99 1uey s SER 122 N 5.19 6.50 0.89 3.99 0.01 -1.26 -5.04 113.70 123.98 1uey s SER 122 Ca 0.50 0.47 -0.14 0.00 1.31 0.00 0.00 55.95 58.08 1uey s SER 122 Cb -0.00 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1uey s SER 122 CO -0.06 -0.44 0.19 0.61 0.41 0.00 0.00 173.24 173.95 1uey n GLY 123 N 4.39 -2.44 3.67 3.44 0.00 -1.26 -4.86 105.19 108.13 1uey n GLY 123 Ca -0.01 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1uey n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uey s PRO 124 N -3.04 4.27 -0.12 1.61 0.04 -1.26 -5.01 135.00 131.49 1uey s PRO 124 Ca 0.56 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1uey s PRO 124 Cb -0.25 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.62 1uey s PRO 124 CO 0.68 -0.62 -0.11 0.45 0.04 0.00 0.00 177.00 177.44 1uey s SER 125 N 1.83 2.34 -0.33 6.66 0.15 -1.26 -5.07 113.70 118.01 1uey s SER 125 Ca 0.56 -0.38 -0.37 0.00 0.70 0.00 0.00 55.95 56.46 1uey s SER 125 Cb -0.23 -0.98 -0.13 0.00 -1.71 0.00 0.00 66.02 62.97 1uey s SER 125 CO 0.17 -0.07 2.08 -1.54 1.20 0.00 0.00 173.24 175.09 1uey n SER 126 N 4.69 2.14 0.00 5.45 3.41 -1.26 -5.29 113.62 122.76 1uey n SER 126 Ca -0.16 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1uey n SER 126 Cb 0.50 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1uey n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49