#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uey n SER 2 N 0.00 -6.77 0.00 1.61 3.41 -1.26 -5.04 113.62 105.57 1uey n SER 2 Ca 0.00 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 1uey n SER 2 Cb 0.00 -4.20 0.00 0.00 -0.26 0.00 0.00 64.21 59.75 1uey n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1uey n SER 3 N -4.22 0.00 0.00 4.04 2.88 -1.26 -5.18 113.62 109.88 1uey n SER 3 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1uey n SER 3 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1uey n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uey n GLY 4 N -0.02 0.83 3.67 0.46 0.00 -1.26 -5.06 105.19 103.81 1uey n GLY 4 Ca 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 1uey n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uey s SER 5 N -4.00 -0.35 0.03 1.61 0.01 -1.26 -5.18 113.70 104.56 1uey s SER 5 Ca 0.00 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 1uey s SER 5 Cb 0.00 0.61 -0.03 0.00 0.21 0.00 0.00 66.02 66.81 1uey s SER 5 CO 0.00 -1.07 -0.01 -0.55 0.41 0.00 0.00 173.24 172.02 1uey s SER 6 N -2.83 0.32 0.00 2.44 0.15 -1.26 -5.12 113.70 107.40 1uey s SER 6 Ca 0.08 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1uey s SER 6 Cb -0.03 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1uey s SER 6 CO -0.02 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1uey n GLY 7 N 0.93 3.35 3.21 9.45 0.00 -1.26 -5.05 105.19 115.82 1uey n GLY 7 Ca -0.20 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1uey n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uey n PRO 8 N 0.00 2.27 -3.42 1.61 -0.04 -1.26 -4.73 135.00 129.42 1uey n PRO 8 Ca 0.00 -2.50 0.02 0.00 -0.04 0.00 0.00 63.50 60.98 1uey n PRO 8 Cb 0.00 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.09 1uey n PRO 8 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1uey s THR 9 N 5.63 -0.16 -0.81 0.52 -1.32 -1.26 -5.10 115.64 113.13 1uey s THR 9 Ca 0.56 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.79 1uey s THR 9 Cb 0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1uey s THR 9 CO 0.06 0.00 1.63 -2.16 -2.21 0.00 0.00 174.62 171.93 1uey s PRO 10 N 1.82 2.99 -0.04 7.08 0.04 -1.26 -4.93 135.00 140.70 1uey s PRO 10 Ca -0.04 -0.25 -0.03 0.00 0.04 0.00 0.00 61.00 60.73 1uey s PRO 10 Cb -0.03 -4.73 0.02 0.00 0.04 0.00 0.00 34.50 29.80 1uey s PRO 10 CO -0.15 -2.60 0.10 0.00 0.04 0.00 0.00 177.00 174.39 1uey s ALA 11 N 7.43 -0.20 1.01 8.56 0.00 -1.26 -5.16 121.76 132.14 1uey s ALA 11 Ca 0.54 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 1uey s ALA 11 Cb -0.07 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1uey s ALA 11 CO 0.07 -0.08 0.11 -0.35 0.00 0.00 0.00 175.76 175.50 1uey n PRO 12 N 3.50 -0.65 -3.69 0.00 -0.04 -1.26 -5.07 135.00 127.80 1uey n PRO 12 Ca -0.18 -0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.01 1uey n PRO 12 Cb 0.56 -0.13 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 1uey n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uey s VAL 13 N -1.22 -0.09 0.00 0.52 1.01 -1.26 -5.14 120.40 114.22 1uey s VAL 13 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1uey s VAL 13 Cb -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1uey s VAL 13 CO 0.05 0.04 0.00 -1.22 0.00 0.00 0.00 175.10 173.97 1uey n TYR 14 N 4.39 -0.27 0.00 5.22 4.02 -1.26 -4.43 117.16 124.83 1uey n TYR 14 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 1uey n TYR 14 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 -0.67 0.00 -0.97 7.72 8.00 -1.26 -5.02 116.55 124.35 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 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 -0.36 -2.43 2.53 0.24 -1.26 -4.61 118.33 112.44 1uey n VAL 16 Ca 0.00 0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 62.30 1uey n VAL 16 Cb 0.00 -0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 31.68 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 -4.33 4.31 1.01 7.34 0.04 -1.25 -4.56 135.00 137.56 1uey s PRO 17 Ca 0.00 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1uey s PRO 17 Cb 0.00 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.86 1uey s PRO 17 CO 0.00 -0.54 -0.42 0.09 0.04 0.00 0.00 177.00 176.17 1uey n ASN 18 N 5.64 -3.58 -4.80 6.66 5.03 -0.76 -4.42 115.26 119.03 1uey n ASN 18 Ca 0.12 0.13 -0.34 0.00 0.87 0.00 0.00 54.58 55.37 1uey n ASN 18 Cb 0.46 -0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 38.30 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 -2.78 3.72 0.88 3.52 0.04 -1.26 -4.42 135.00 134.70 1uey s PRO 19 Ca 0.47 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1uey s PRO 19 Cb -0.12 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.45 1uey s PRO 19 CO 0.72 -0.49 1.13 -1.25 0.04 0.00 0.00 177.00 177.14 1uey s PRO 20 N -3.41 1.37 0.30 0.56 0.04 -1.26 -4.03 135.00 128.59 1uey s PRO 20 Ca 0.66 0.38 -0.10 0.00 0.04 0.00 0.00 61.00 61.98 1uey s PRO 20 Cb -0.16 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1uey s PRO 20 CO 0.23 -2.06 0.53 -0.59 0.04 0.00 0.00 177.00 175.16 1uey s PHE 21 N -3.25 0.56 -0.00 0.56 -0.12 -0.66 -4.28 117.98 110.79 1uey s PHE 21 Ca 0.63 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1uey s PHE 21 Cb -0.15 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 1uey s PHE 21 CO 0.54 -1.14 0.00 -3.47 -0.05 0.00 0.00 175.22 171.10 1uey n ASP 22 N -0.90 -4.29 -4.38 1.98 -0.08 -1.26 -3.13 116.55 104.48 1uey n ASP 22 Ca -0.02 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.82 1uey n ASP 22 Cb 0.61 -1.79 -0.01 0.00 2.34 0.00 0.00 41.12 42.28 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 -0.00 -1.46 -3.82 -2.67 4.32 -1.26 -4.91 117.00 107.20 1uey n LEU 23 Ca -0.00 0.95 -0.09 0.00 -0.02 0.00 0.00 56.01 56.85 1uey n LEU 23 Cb 0.21 -0.98 -0.03 0.00 -1.62 0.00 0.00 43.42 41.00 1uey n LEU 23 CO 0.00 -3.37 0.33 -0.70 -1.22 0.00 0.00 177.39 172.43 1uey s GLU 24 N -1.17 1.55 -0.21 3.23 2.12 -1.14 -4.83 118.70 118.25 1uey s GLU 24 Ca 0.62 -0.97 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1uey s GLU 24 Cb -0.72 0.55 0.07 0.00 0.26 0.00 0.00 34.13 34.28 1uey s GLU 24 CO 0.59 -0.68 0.05 -0.51 -0.54 0.00 0.00 175.26 174.18 1uey s LEU 25 N -2.91 1.24 -0.16 2.70 1.43 -1.26 -3.33 118.68 116.38 1uey s LEU 25 Ca 0.12 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1uey s LEU 25 Cb -0.03 -0.60 0.06 0.00 0.03 0.00 0.00 46.19 45.66 1uey s LEU 25 CO 0.03 -0.33 0.37 0.42 0.23 0.00 0.00 176.35 177.07 1uey s THR 26 N 1.85 -0.20 0.24 5.49 -4.23 -1.22 -5.05 115.64 112.52 1uey s THR 26 Ca 0.01 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1uey s THR 26 Cb -0.17 -0.57 -0.02 0.00 1.34 0.00 0.00 72.50 73.08 1uey s THR 26 CO -0.12 0.06 0.28 1.51 -0.54 0.00 0.00 174.62 175.81 1uey s ASP 27 N 1.74 0.30 -0.12 3.99 -4.77 -1.26 -4.09 116.67 112.46 1uey s ASP 27 Ca -0.07 -1.30 0.22 0.00 -3.30 0.00 0.00 52.55 48.10 1uey s ASP 27 Cb -0.10 0.49 0.42 0.00 -1.09 0.00 0.00 42.92 42.64 1uey s ASP 27 CO -0.12 -1.00 1.16 0.00 0.70 0.00 0.00 175.17 175.91 1uey n GLN 28 N -0.37 0.74 -3.62 2.11 6.02 -1.26 -5.03 117.38 115.97 1uey n GLN 28 Ca 0.01 -2.42 -0.21 0.00 -0.01 0.00 0.00 57.00 54.37 1uey n GLN 28 Cb 0.64 -0.53 -0.16 0.00 1.02 0.00 0.00 30.24 31.21 1uey n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1uey s LEU 29 N -1.70 0.12 -0.94 1.08 1.98 -1.26 -5.04 118.68 112.92 1uey s LEU 29 Ca 0.27 -0.16 -0.14 0.00 -2.89 0.00 0.00 54.13 51.21 1uey s LEU 29 Cb 0.33 0.01 -0.09 0.00 0.66 0.00 0.00 46.19 47.10 1uey s LEU 29 CO -0.10 -0.30 2.09 0.47 -1.89 0.00 0.00 176.35 176.62 1uey n ASP 30 N 5.30 4.00 0.00 3.68 8.00 -1.26 -2.81 116.55 133.47 1uey n ASP 30 Ca -0.05 -2.54 0.00 0.00 0.71 0.00 0.00 54.79 52.91 1uey n ASP 30 Cb 0.50 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 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 5.55 0.00 -3.68 -1.24 5.02 -1.26 -5.13 118.16 117.43 1uey n LYS 31 Ca 0.49 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1uey n LYS 31 Cb 0.28 -0.01 -0.09 0.00 -0.02 0.00 0.00 35.03 35.19 1uey n LYS 31 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1uey s SER 32 N -2.39 -0.64 0.73 4.39 0.15 -1.12 -4.88 113.70 109.94 1uey s SER 32 Ca 0.00 1.12 -0.09 0.00 0.70 0.00 0.00 55.95 57.68 1uey s SER 32 Cb 0.00 1.05 0.05 0.00 -1.71 0.00 0.00 66.02 65.41 1uey s SER 32 CO 0.00 -0.20 1.07 0.54 1.20 0.00 0.00 173.24 175.85 1uey s VAL 33 N 1.02 2.54 -0.15 4.45 0.11 -0.78 -4.61 120.40 122.98 1uey s VAL 33 Ca -0.06 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1uey s VAL 33 Cb -0.06 -3.13 0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1uey s VAL 33 CO -0.09 -0.16 -0.18 -1.58 -3.33 0.00 0.00 175.10 169.76 1uey s GLN 34 N -5.35 2.69 -0.37 1.54 0.74 -1.26 -0.14 119.66 117.52 1uey s GLN 34 Ca 0.60 -0.72 -0.16 0.00 0.05 0.00 0.00 55.36 55.13 1uey s GLN 34 Cb -0.11 -2.30 0.00 0.00 1.10 0.00 0.00 33.01 31.70 1uey s GLN 34 CO 0.47 -0.13 0.37 -1.17 -0.55 0.00 0.00 175.29 174.28 1uey s LEU 35 N 1.15 4.62 -0.30 3.68 2.96 -0.60 -3.46 118.68 126.72 1uey s LEU 35 Ca -0.01 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 1uey s LEU 35 Cb -0.14 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 1uey s LEU 35 CO -0.07 -0.41 0.18 -0.44 -1.32 0.00 0.00 176.35 174.28 1uey s SER 36 N 1.75 5.80 0.32 3.68 0.01 -1.21 -2.75 113.70 121.30 1uey s SER 36 Ca 0.11 -0.26 0.10 0.00 1.31 0.00 0.00 55.95 57.21 1uey s SER 36 Cb -0.17 -2.07 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 1uey s SER 36 CO 0.12 -0.13 -0.13 -1.66 0.41 0.00 0.00 173.24 171.85 1uey s TRP 37 N 1.70 2.35 -0.19 2.43 -2.14 -0.78 -2.88 118.94 119.43 1uey s TRP 37 Ca 0.06 -0.44 -0.01 0.00 2.66 0.00 0.00 56.10 58.37 1uey s TRP 37 Cb -0.16 -1.23 0.05 0.00 -3.10 0.00 0.00 33.47 29.03 1uey s TRP 37 CO 0.09 0.63 -0.02 0.99 -2.66 0.00 0.00 176.95 175.97 1uey s THR 38 N -2.58 1.02 -0.38 0.66 2.01 -1.18 -4.80 115.64 110.39 1uey s THR 38 Ca 0.31 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 1uey s THR 38 Cb -0.00 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.20 1uey s THR 38 CO 0.16 -0.03 1.39 -2.16 -0.69 0.00 0.00 174.62 173.29 1uey s PRO 39 N 1.65 3.67 0.00 4.92 0.04 -1.26 -1.65 135.00 142.37 1uey s PRO 39 Ca -0.01 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1uey s PRO 39 Cb -0.17 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1uey s PRO 39 CO -0.07 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1uey n GLY 40 N 4.87 -2.60 3.67 0.56 0.00 -1.26 -4.92 105.19 105.51 1uey n GLY 40 Ca 0.16 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1uey n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uey n ASP 41 N 0.00 0.46 -0.00 1.61 9.92 -1.26 -4.84 116.55 122.43 1uey n ASP 41 Ca 0.00 0.47 0.05 0.00 -0.53 0.00 0.00 54.79 54.78 1uey n ASP 41 Cb 0.00 -1.48 -0.08 0.00 -0.64 0.00 0.00 41.12 38.93 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1uey n ASP 42 N -3.82 2.12 -3.00 -2.24 8.00 -1.26 -1.83 116.55 114.52 1uey n ASP 42 Ca 0.12 -0.16 -0.02 0.00 0.71 0.00 0.00 54.79 55.44 1uey n ASP 42 Cb 0.52 1.38 0.01 0.00 -0.02 0.00 0.00 41.12 43.00 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 -1.73 -7.37 0.00 -2.24 5.03 -1.26 -3.30 115.26 104.39 1uey n ASN 43 Ca -0.01 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1uey n ASN 43 Cb 0.25 -5.08 0.00 0.00 -1.02 0.00 0.00 39.78 33.93 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 -1.90 0.00 -4.64 6.41 3.02 -1.26 -4.25 115.26 112.63 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 0.51 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 -0.55 -2.62 0.00 0.00 177.26 174.09 1uey s SER 45 N 0.00 6.64 0.56 6.41 0.15 -1.21 -4.99 113.70 121.27 1uey s SER 45 Ca 0.00 1.64 -0.17 0.00 0.70 0.00 0.00 55.95 58.12 1uey s SER 45 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1uey s SER 45 CO 0.00 -1.03 1.05 -2.16 1.20 0.00 0.00 173.24 172.29 1uey s PRO 46 N 4.14 3.48 0.44 5.44 0.04 -1.26 -4.55 135.00 142.74 1uey s PRO 46 Ca 0.64 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1uey s PRO 46 Cb -0.23 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1uey s PRO 46 CO 0.24 -0.68 1.24 0.42 0.04 0.00 0.00 177.00 178.26 1uey s ILE 47 N -2.38 2.78 0.00 0.56 -1.09 -1.26 -4.22 121.20 115.58 1uey s ILE 47 Ca 0.64 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 1uey s ILE 47 Cb -0.15 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1uey s ILE 47 CO 0.33 0.04 0.00 0.35 -1.23 0.00 0.00 174.94 174.43 1uey n THR 48 N -0.25 0.00 -3.93 2.92 -2.24 0.20 -4.65 114.28 106.33 1uey n THR 48 Ca 0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1uey n THR 48 Cb 0.46 -0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.82 0.79 -0.24 -0.78 2.20 -0.48 0.21 119.74 119.62 1uey s LYS 49 Ca 0.00 -1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 54.53 1uey s LYS 49 Cb 0.00 0.30 0.08 0.00 -1.51 0.00 0.00 37.83 36.70 1uey s LYS 49 CO 0.00 -0.23 0.08 -0.06 -0.36 0.00 0.00 175.35 174.78 1uey s PHE 50 N -3.89 0.93 0.38 4.03 0.08 0.04 -0.82 117.98 118.74 1uey s PHE 50 Ca 0.06 -1.03 -0.06 0.00 0.12 0.00 0.00 56.93 56.02 1uey s PHE 50 Cb 0.06 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 1uey s PHE 50 CO -0.10 -0.72 0.69 0.42 -0.10 0.00 0.00 175.22 175.41 1uey s ILE 51 N 1.89 4.92 0.14 0.64 1.01 -0.43 -0.33 121.20 129.04 1uey s ILE 51 Ca 0.05 0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.99 1uey s ILE 51 Cb -0.17 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1uey s ILE 51 CO -0.20 -0.55 -0.10 -0.63 0.00 0.00 0.00 174.94 173.47 1uey s ILE 52 N -2.37 1.13 0.20 2.92 1.09 0.50 0.21 121.20 124.87 1uey s ILE 52 Ca 0.47 -1.99 -0.17 0.00 -1.10 0.00 0.00 60.65 57.86 1uey s ILE 52 Cb -0.10 -1.77 0.03 0.00 -1.06 0.00 0.00 42.46 39.55 1uey s ILE 52 CO 0.35 -0.72 0.52 -1.61 -0.10 0.00 0.00 174.94 173.38 1uey s GLU 53 N -3.59 1.38 0.08 2.79 2.02 0.36 -1.78 118.70 119.96 1uey s GLU 53 Ca 0.15 -0.88 -0.10 0.00 0.02 0.00 0.00 54.97 54.15 1uey s GLU 53 Cb 0.02 0.52 0.01 0.00 0.10 0.00 0.00 34.13 34.77 1uey s GLU 53 CO 0.00 -0.58 0.23 1.52 0.02 0.00 0.00 175.26 176.44 1uey s TYR 54 N -3.88 0.07 -0.19 1.61 -0.85 -1.12 -0.43 117.35 112.57 1uey s TYR 54 Ca 0.10 -0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.22 1uey s TYR 54 Cb -0.01 -0.00 0.03 0.00 0.38 0.00 0.00 41.96 42.36 1uey s TYR 54 CO -0.02 -0.55 -0.15 -1.83 -1.52 0.00 0.00 175.55 171.48 1uey s GLU 55 N -3.59 2.47 -0.98 -3.49 4.04 -1.24 -0.90 118.70 115.00 1uey s GLU 55 Ca 0.03 -0.83 -0.26 0.00 0.04 0.00 0.00 54.97 53.95 1uey s GLU 55 Cb 0.03 -2.45 -0.17 0.00 0.02 0.00 0.00 34.13 31.56 1uey s GLU 55 CO -0.10 -0.32 2.19 -0.51 -1.84 0.00 0.00 175.26 174.68 1uey s ASP 56 N 1.34 3.83 0.37 0.83 1.11 -1.22 -3.30 116.67 119.63 1uey s ASP 56 Ca 0.02 -0.68 0.05 0.00 0.18 0.00 0.00 52.55 52.12 1uey s ASP 56 Cb -0.15 -2.58 0.71 0.00 1.07 0.00 0.00 42.92 41.97 1uey s ASP 56 CO -0.10 -4.20 1.96 0.00 1.18 0.00 0.00 175.17 174.02 1uey h ALA 57 N 11.78 1.52 -0.06 5.23 0.00 -1.04 1.53 119.26 138.22 1uey h ALA 57 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1uey h ALA 57 Cb 0.99 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1uey h ALA 57 CO 1.04 0.37 -0.02 1.98 0.00 0.00 0.00 179.25 182.63 1uey h MET 58 N 0.57 0.12 0.00 0.00 1.85 -1.78 -3.32 114.93 112.38 1uey h MET 58 Ca 0.14 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1uey h MET 58 Cb 0.12 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.14 1uey h MET 58 CO -0.01 0.46 -0.00 0.45 -0.40 0.00 0.00 176.91 177.41 1uey h HIS 59 N -0.23 -0.01 -2.64 1.39 -0.00 -1.74 -3.47 115.15 108.46 1uey h HIS 59 Ca 0.02 -0.00 -0.38 0.00 -0.00 0.00 0.00 60.37 60.00 1uey h HIS 59 Cb 0.42 0.00 -0.37 0.00 -0.00 0.00 0.00 27.41 27.46 1uey h HIS 59 CO 0.06 -0.00 -0.68 0.15 -0.00 0.00 0.00 177.93 177.45 1uey s LYS 60 N -1.16 0.17 0.05 2.45 1.02 0.52 -5.08 119.74 117.71 1uey s LYS 60 Ca -0.00 -0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.68 1uey s LYS 60 Cb 0.00 -1.29 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 1uey s LYS 60 CO 0.00 -0.75 1.17 -1.25 -0.92 0.00 0.00 175.35 173.60 1uey s PRO 61 N 2.25 4.45 0.00 -1.68 0.04 -0.88 -2.99 135.00 136.19 1uey s PRO 61 Ca 0.06 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1uey s PRO 61 Cb -0.16 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1uey s PRO 61 CO -0.17 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1uey n GLY 62 N 3.18 2.34 3.47 0.56 0.00 -1.26 -4.99 105.19 108.48 1uey n GLY 62 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 4.45 0.16 0.99 2.96 -1.16 -5.01 118.68 121.08 1uey s LEU 63 Ca 0.00 -1.33 -0.24 0.00 -0.22 0.00 0.00 54.13 52.34 1uey s LEU 63 Cb 0.00 -2.43 -0.08 0.00 0.50 0.00 0.00 46.19 44.18 1uey s LEU 63 CO 0.00 -1.35 0.76 0.26 -1.32 0.00 0.00 176.35 174.70 1uey s TRP 64 N 3.81 3.89 0.10 5.38 0.52 -1.26 -3.42 118.94 127.95 1uey s TRP 64 Ca 0.28 1.59 0.04 0.00 0.02 0.00 0.00 56.10 58.04 1uey s TRP 64 Cb -0.11 -2.74 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 1uey s TRP 64 CO 0.03 0.51 -0.11 -1.01 0.02 0.00 0.00 176.95 176.38 1uey s HIS 65 N -1.17 1.14 0.14 -1.98 3.76 -0.08 -4.94 115.29 112.15 1uey s HIS 65 Ca 0.36 -0.61 -0.31 0.00 -0.15 0.00 0.00 55.06 54.34 1uey s HIS 65 Cb -0.22 -0.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.75 1uey s HIS 65 CO 0.25 0.04 1.74 -1.58 -0.85 0.00 0.00 174.74 174.34 1uey s HIS 66 N -2.25 2.49 0.00 1.40 2.46 -1.26 -2.80 115.29 115.32 1uey s HIS 66 Ca 0.05 0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.79 1uey s HIS 66 Cb -0.04 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 1uey s HIS 66 CO 0.01 -4.37 0.00 0.94 -2.47 0.00 0.00 174.74 168.85 1uey n GLN 67 N 5.06 0.00 -3.61 2.88 -0.06 -0.74 -4.92 117.38 115.99 1uey n GLN 67 Ca 0.16 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.11 1uey n GLN 67 Cb 0.38 -0.15 -0.02 0.00 -4.06 0.00 0.00 30.24 26.39 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 -0.39 0.00 0.18 1.69 -1.32 -1.18 -4.99 115.64 109.64 1uey s THR 68 Ca 0.00 -0.25 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 1uey s THR 68 Cb 0.00 -1.43 -0.05 0.00 -1.51 0.00 0.00 72.50 69.51 1uey s THR 68 CO 0.00 0.00 0.02 -1.83 -2.21 0.00 0.00 174.62 170.60 1uey s GLU 69 N -3.05 1.15 0.21 7.08 4.04 -1.26 0.19 118.70 127.05 1uey s GLU 69 Ca 0.09 -1.56 0.03 0.00 0.04 0.00 0.00 54.97 53.56 1uey s GLU 69 Cb -0.01 -0.24 -0.01 0.00 0.02 0.00 0.00 34.13 33.89 1uey s GLU 69 CO -0.04 -0.16 0.21 1.33 -1.84 0.00 0.00 175.26 174.75 1uey n VAL 70 N -0.27 0.00 -1.34 1.83 0.24 0.56 -4.94 118.33 114.41 1uey n VAL 70 Ca -0.05 -1.38 -0.29 0.00 -2.04 0.00 0.00 64.34 60.58 1uey n VAL 70 Cb 0.64 0.72 0.15 0.00 -1.47 0.00 0.00 33.84 33.88 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 -2.39 3.28 -0.15 -1.34 0.01 -1.26 -0.78 113.70 111.07 1uey s SER 71 Ca 0.23 1.19 0.04 0.00 1.31 0.00 0.00 55.95 58.71 1uey s SER 71 Cb 0.01 -1.84 0.34 0.00 0.21 0.00 0.00 66.02 64.74 1uey s SER 71 CO 0.16 -2.72 1.23 0.61 0.41 0.00 0.00 173.24 172.93 1uey n GLY 72 N -1.57 2.61 0.01 3.44 0.00 0.57 -3.71 105.19 106.54 1uey n GLY 72 Ca 0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 0.04 0.07 -2.47 2.61 -1.04 -1.26 -4.57 114.28 107.66 1uey n THR 73 Ca 0.19 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.05 61.90 1uey n THR 73 Cb 0.84 -0.61 0.02 0.00 -1.82 0.00 0.00 70.33 68.76 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 -2.02 3.22 0.00 -2.82 -2.07 -1.24 -5.01 119.66 109.71 1uey s GLN 74 Ca -0.01 0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 1uey s GLN 74 Cb 0.00 -2.31 0.00 0.00 -1.09 0.00 0.00 33.01 29.62 1uey s GLN 74 CO 0.03 -0.49 0.93 0.25 -1.32 0.00 0.00 175.29 174.69 1uey n THR 75 N -2.46 0.00 -3.71 3.63 -2.24 -1.26 -4.83 114.28 103.41 1uey n THR 75 Ca 0.03 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 1uey n THR 75 Cb 0.56 0.50 -0.18 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.00 -0.00 -0.02 4.28 -4.23 -1.26 -1.86 115.64 112.55 1uey s THR 76 Ca 0.00 0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1uey s THR 76 Cb 0.00 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1uey s THR 76 CO 0.00 0.18 -0.07 0.00 -0.54 0.00 0.00 174.62 174.19 1uey s ALA 77 N 1.96 0.68 0.11 3.99 0.00 -1.11 -4.96 121.76 122.43 1uey s ALA 77 Ca 0.03 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 1uey s ALA 77 Cb -0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.68 1uey s ALA 77 CO -0.03 0.12 1.31 -0.65 0.00 0.00 0.00 175.76 176.50 1uey s GLN 78 N 0.14 4.37 -0.14 0.00 -0.21 -1.26 -1.56 119.66 121.00 1uey s GLN 78 Ca -0.02 1.96 -0.01 0.00 0.02 0.00 0.00 55.36 57.31 1uey s GLN 78 Cb -0.07 -3.27 -0.02 0.00 1.00 0.00 0.00 33.01 30.65 1uey s GLN 78 CO 0.00 -0.35 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.22 1uey s LEU 79 N 0.92 2.88 -0.43 2.90 1.43 0.80 -4.94 118.68 122.25 1uey s LEU 79 Ca 0.61 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 1uey s LEU 79 Cb -0.34 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1uey s LEU 79 CO 0.31 0.16 0.36 0.21 0.23 0.00 0.00 176.35 177.61 1uey s ASN 80 N 0.42 6.14 0.04 2.29 3.84 -1.26 -1.87 114.94 124.54 1uey s ASN 80 Ca -0.08 -0.95 0.03 0.00 0.21 0.00 0.00 52.86 52.07 1uey s ASN 80 Cb -0.15 -2.18 -0.04 0.00 -0.55 0.00 0.00 41.25 38.33 1uey s ASN 80 CO 0.04 -0.54 0.01 -0.76 -2.79 0.00 0.00 177.10 173.07 1uey s LEU 81 N 1.79 3.55 0.45 3.21 1.43 -1.26 -5.08 118.68 122.77 1uey s LEU 81 Ca 0.06 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1uey s LEU 81 Cb -0.20 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.87 1uey s LEU 81 CO 0.10 0.22 0.65 -0.44 0.23 0.00 0.00 176.35 177.11 1uey s SER 82 N -1.97 5.69 0.14 2.29 0.01 -1.26 -5.02 113.70 113.58 1uey s SER 82 Ca 0.23 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.50 1uey s SER 82 Cb -0.12 -1.21 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 1uey s SER 82 CO 0.15 -0.77 1.35 1.55 0.41 0.00 0.00 173.24 175.92 1uey h PRO 83 N 0.43 0.42 -3.45 12.44 0.13 -1.95 -3.39 132.00 136.63 1uey h PRO 83 Ca -0.44 -0.41 -0.71 0.00 -0.87 0.00 0.00 66.00 63.56 1uey h PRO 83 Cb 1.27 0.11 -0.34 0.00 0.13 0.00 0.00 31.00 32.16 1uey h PRO 83 CO 0.54 1.07 -0.14 0.71 -0.23 0.00 0.00 178.00 179.95 1uey s TYR 84 N -3.40 3.74 0.00 1.56 2.02 -1.26 -3.76 117.35 116.25 1uey s TYR 84 Ca -0.06 -2.82 0.00 0.00 -0.37 0.00 0.00 57.07 53.82 1uey s TYR 84 Cb 0.09 -3.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1uey s TYR 84 CO 0.86 -0.80 0.00 1.55 -1.57 0.00 0.00 175.55 175.59 1uey n VAL 85 N 2.87 0.00 -3.92 0.71 3.14 -1.26 -5.11 118.33 114.76 1uey n VAL 85 Ca 0.16 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.45 1uey n VAL 85 Cb 0.38 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.07 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 0.15 0.00 6.55 2.47 -1.26 -4.38 114.94 118.47 1uey s ASN 86 Ca 0.00 -0.48 0.00 0.00 0.42 0.00 0.00 52.86 52.80 1uey s ASN 86 Cb 0.00 0.22 0.00 0.00 -1.45 0.00 0.00 41.25 40.02 1uey s ASN 86 CO 0.00 -0.48 0.00 0.00 -3.72 0.00 0.00 177.10 172.90 1uey n TYR 87 N 0.90 0.00 -3.34 0.43 0.18 -1.25 -0.66 117.16 113.43 1uey n TYR 87 Ca -0.20 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.39 1uey n TYR 87 Cb 0.58 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.58 1uey n TYR 87 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1uey n SER 88 N 0.00 2.13 -3.84 9.48 2.88 -1.21 -3.61 113.62 119.45 1uey n SER 88 Ca 0.00 -2.48 -0.24 0.00 -1.33 0.00 0.00 58.87 54.82 1uey n SER 88 Cb 0.00 -0.25 -0.17 0.00 -0.75 0.00 0.00 64.21 63.04 1uey n SER 88 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1uey s PHE 89 N -2.28 0.96 -0.13 0.66 0.08 -1.26 -3.74 117.98 112.27 1uey s PHE 89 Ca 0.44 -0.36 0.03 0.00 0.12 0.00 0.00 56.93 57.15 1uey s PHE 89 Cb -0.04 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1uey s PHE 89 CO 0.28 -0.36 -0.22 -0.98 -0.10 0.00 0.00 175.22 173.84 1uey s ARG 90 N 1.67 3.04 -0.19 0.44 1.70 0.43 -3.21 118.95 122.83 1uey s ARG 90 Ca 0.02 -0.85 -0.08 0.00 -0.47 0.00 0.00 55.73 54.35 1uey s ARG 90 Cb -0.13 -2.42 -0.04 0.00 -0.57 0.00 0.00 34.95 31.79 1uey s ARG 90 CO -0.05 0.02 0.07 0.08 -1.08 0.00 0.00 175.30 174.35 1uey s VAL 91 N 0.72 4.85 0.18 4.99 1.01 -1.26 -0.48 120.40 130.41 1uey s VAL 91 Ca -0.09 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1uey s VAL 91 Cb -0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1uey s VAL 91 CO 0.00 0.45 -0.04 -0.04 0.00 0.00 0.00 175.10 175.48 1uey s MET 92 N 0.40 2.28 -0.07 2.72 -1.94 0.55 -1.91 119.30 121.32 1uey s MET 92 Ca 0.04 -1.17 0.05 0.00 -1.71 0.00 0.00 55.69 52.89 1uey s MET 92 Cb -0.12 -2.28 -0.00 0.00 2.01 0.00 0.00 34.83 34.43 1uey s MET 92 CO 0.00 0.45 -0.24 0.00 -0.01 0.00 0.00 175.02 175.22 1uey s ALA 93 N -1.74 2.08 -0.07 3.03 0.00 -1.26 -1.32 121.76 122.49 1uey s ALA 93 Ca 0.27 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1uey s ALA 93 Cb -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1uey s ALA 93 CO 0.17 0.34 -0.17 0.08 0.00 0.00 0.00 175.76 176.19 1uey s VAL 94 N 0.09 1.45 0.00 0.00 1.01 -0.00 -0.61 120.40 122.34 1uey s VAL 94 Ca -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1uey s VAL 94 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1uey s VAL 94 CO 0.06 0.42 0.00 -0.46 0.00 0.00 0.00 175.10 175.12 1uey n ASN 95 N 3.52 0.71 -0.30 3.32 0.23 -0.74 -0.63 115.26 121.37 1uey n ASN 95 Ca -0.20 -0.73 0.13 0.00 -0.53 0.00 0.00 54.58 53.24 1uey n ASN 95 Cb 0.52 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.60 1uey n ASN 95 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1uey h SER 96 N 0.00 0.67 0.00 0.53 0.02 -1.90 -3.05 113.55 109.82 1uey h SER 96 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1uey h SER 96 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1uey h SER 96 CO 0.00 0.31 0.00 -0.38 -1.14 0.00 0.00 176.83 175.62 1uey n ILE 97 N -4.60 0.00 -2.71 3.27 2.08 -1.26 -5.06 119.36 111.08 1uey n ILE 97 Ca 0.19 0.89 0.00 0.00 0.56 0.00 0.00 62.75 64.39 1uey n ILE 97 Cb 0.52 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 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 0.10 1.50 3.75 7.39 0.00 -1.16 -5.00 105.19 111.77 1uey n GLY 98 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 0.77 4.17 0.80 1.61 2.20 -1.26 -1.80 119.74 126.23 1uey s LYS 99 Ca 0.00 0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.71 1uey s LYS 99 Cb 0.00 -3.38 0.14 0.00 -1.51 0.00 0.00 37.83 33.08 1uey s LYS 99 CO 0.00 0.33 1.12 -1.54 -0.36 0.00 0.00 175.35 174.89 1uey s SER 100 N 0.17 4.01 0.88 1.43 1.04 0.22 -4.97 113.70 116.48 1uey s SER 100 Ca 0.19 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.56 1uey s SER 100 Cb -0.14 -0.37 0.12 0.00 0.10 0.00 0.00 66.02 65.73 1uey s SER 100 CO 0.06 -2.12 1.10 -0.76 0.98 0.00 0.00 173.24 172.51 1uey s LEU 101 N -5.44 2.58 0.34 2.42 1.43 -1.26 -4.54 118.68 114.21 1uey s LEU 101 Ca 0.68 1.81 -0.27 0.00 -1.03 0.00 0.00 54.13 55.32 1uey s LEU 101 Cb -0.06 -4.28 -0.09 0.00 0.03 0.00 0.00 46.19 41.79 1uey s LEU 101 CO 0.48 -2.70 1.07 -2.16 0.23 0.00 0.00 176.35 173.26 1uey s PRO 102 N -4.80 4.40 0.99 1.29 0.04 -1.26 -4.59 135.00 131.07 1uey s PRO 102 Ca 0.64 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 1uey s PRO 102 Cb -0.20 -2.86 0.05 0.00 0.04 0.00 0.00 34.50 31.54 1uey s PRO 102 CO 0.58 0.04 0.28 -1.13 0.04 0.00 0.00 177.00 176.80 1uey n SER 103 N 0.55 -2.25 0.00 6.66 3.41 -0.81 -4.89 113.62 116.29 1uey n SER 103 Ca 0.02 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1uey n SER 103 Cb 0.47 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 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 -1.70 0.00 0.00 4.33 -0.58 -1.26 -4.73 120.64 116.70 1uey n GLU 104 Ca 0.05 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1uey n GLU 104 Cb 0.56 -0.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 1uey n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uey n ALA 105 N -1.75 0.00 -0.81 0.62 0.00 -1.26 -4.99 120.51 112.32 1uey n ALA 105 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1uey n ALA 105 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1uey n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uey n SER 106 N 0.00 -2.67 -4.17 0.00 2.88 -1.20 -4.88 113.62 103.58 1uey n SER 106 Ca 0.00 -0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 1uey n SER 106 Cb 0.00 -0.77 0.16 0.00 -0.75 0.00 0.00 64.21 62.85 1uey n SER 106 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1uey n GLU 107 N -0.16 -1.53 -3.14 -1.46 -0.00 -1.26 -4.56 120.64 108.52 1uey n GLU 107 Ca -0.00 -0.44 -0.45 0.00 -0.00 0.00 0.00 57.16 56.27 1uey n GLU 107 Cb 0.68 -1.59 -0.04 0.00 -0.00 0.00 0.00 31.44 30.49 1uey n GLU 107 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1uey s GLN 108 N -3.28 3.15 -0.23 3.44 -0.21 -1.26 -4.57 119.66 116.70 1uey s GLN 108 Ca 0.52 -1.54 -0.29 0.00 0.02 0.00 0.00 55.36 54.07 1uey s GLN 108 Cb -0.08 -4.35 0.00 0.00 1.00 0.00 0.00 33.01 29.58 1uey s GLN 108 CO 0.63 -1.51 1.16 -0.47 -2.12 0.00 0.00 175.29 172.98 1uey s TYR 109 N 2.27 3.05 -0.28 0.91 6.14 -1.24 -4.98 117.35 123.23 1uey s TYR 109 Ca 0.13 1.19 -0.01 0.00 0.64 0.00 0.00 57.07 59.02 1uey s TYR 109 Cb -0.22 -3.49 0.09 0.00 0.42 0.00 0.00 41.96 38.76 1uey s TYR 109 CO 0.03 -1.12 0.07 -1.17 0.64 0.00 0.00 175.55 174.00 1uey s LEU 110 N 3.51 2.00 0.00 6.97 0.20 -1.26 -3.96 118.68 126.14 1uey s LEU 110 Ca 0.50 -1.40 0.00 0.00 0.69 0.00 0.00 54.13 53.92 1uey s LEU 110 Cb -0.17 -0.82 0.00 0.00 -0.43 0.00 0.00 46.19 44.76 1uey s LEU 110 CO 0.12 -0.37 0.00 0.35 -0.29 0.00 0.00 176.35 176.16 1uey n THR 111 N 4.89 0.00 -3.08 3.68 -2.24 -1.26 -4.83 114.28 111.43 1uey n THR 111 Ca -0.05 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 1uey n THR 111 Cb 0.43 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 1uey n THR 111 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1uey s LYS 112 N -2.50 3.51 0.04 -0.78 1.02 -1.26 -4.96 119.74 114.81 1uey s LYS 112 Ca 0.00 -0.11 -0.04 0.00 0.02 0.00 0.00 55.97 55.84 1uey s LYS 112 Cb 0.00 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 1uey s LYS 112 CO 0.00 0.01 0.22 0.00 -0.92 0.00 0.00 175.35 174.65 1uey n ALA 113 N -1.95 -0.56 -1.97 5.17 0.00 -1.25 -4.10 120.51 115.86 1uey n ALA 113 Ca -0.03 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1uey n ALA 113 Cb 0.56 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1uey n ALA 113 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uey n SER 114 N -0.74 4.52 -3.64 0.00 7.64 -1.26 -4.81 113.62 115.32 1uey n SER 114 Ca -0.01 -2.95 -0.03 0.00 1.01 0.00 0.00 58.87 56.90 1uey n SER 114 Cb 0.12 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 61.69 1uey n SER 114 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uey s GLU 115 N 1.98 0.11 0.00 1.43 2.02 -1.26 -5.18 118.70 117.80 1uey s GLU 115 Ca 0.45 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1uey s GLU 115 Cb 0.12 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1uey s GLU 115 CO -0.05 -0.03 0.00 -0.35 0.02 0.00 0.00 175.26 174.85 1uey n PRO 116 N 0.79 0.40 -1.19 0.39 -0.04 -1.26 -4.96 135.00 129.14 1uey n PRO 116 Ca -0.03 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.58 1uey n PRO 116 Cb 0.58 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.98 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 -1.19 -6.90 -3.28 3.54 2.03 -1.26 -4.83 116.55 104.67 1uey n ASP 117 Ca 0.00 0.99 -0.25 0.00 0.52 0.00 0.00 54.79 56.05 1uey n ASP 117 Cb 0.00 -3.95 -0.08 0.00 -0.72 0.00 0.00 41.12 36.37 1uey n ASP 117 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1uey n LYS 118 N -3.97 0.71 -2.41 -0.67 3.00 -1.26 -5.03 118.16 108.52 1uey n LYS 118 Ca -0.05 -3.33 -0.01 0.00 -0.00 0.00 0.00 58.31 54.92 1uey n LYS 118 Cb 0.56 -1.43 -0.01 0.00 0.00 0.00 0.00 35.03 34.15 1uey n LYS 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1uey n ASN 119 N 1.77 -6.99 -4.56 3.14 2.85 -1.26 -4.74 115.26 105.48 1uey n ASN 119 Ca 0.24 1.71 -0.35 0.00 -0.11 0.00 0.00 54.58 56.07 1uey n ASN 119 Cb 0.50 -5.02 -0.04 0.00 1.24 0.00 0.00 39.78 36.46 1uey n ASN 119 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1uey s PRO 120 N -0.58 3.05 -0.14 1.20 0.04 -1.26 -4.66 135.00 132.65 1uey s PRO 120 Ca -0.07 -0.53 0.15 0.00 0.04 0.00 0.00 61.00 60.59 1uey s PRO 120 Cb 0.00 -5.01 -0.21 0.00 0.04 0.00 0.00 34.50 29.32 1uey s PRO 120 CO 0.18 -2.70 0.10 -2.37 0.04 0.00 0.00 177.00 172.25 1uey n THR 121 N 7.24 0.95 0.00 1.26 5.66 -1.26 -5.04 114.28 123.09 1uey n THR 121 Ca 0.31 -0.64 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1uey n THR 121 Cb 0.49 -0.48 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1uey n THR 121 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1uey n SER 122 N -2.53 0.00 -4.66 1.09 7.64 -1.26 -5.18 113.62 108.72 1uey n SER 122 Ca -0.23 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.42 1uey n SER 122 Cb 0.95 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.07 1uey n SER 122 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uey s GLY 123 N 0.00 1.64 -0.70 0.23 0.00 -1.26 -5.06 107.32 102.17 1uey s GLY 123 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 44.72 42.85 1uey s GLY 123 CO 0.00 -1.66 1.57 2.56 0.00 0.00 0.00 173.10 175.57 1uey s PRO 124 N -3.60 2.93 0.05 2.90 0.04 -1.26 -4.97 135.00 131.10 1uey s PRO 124 Ca 0.31 0.10 0.09 0.00 0.04 0.00 0.00 61.00 61.54 1uey s PRO 124 Cb -0.07 -4.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.08 1uey s PRO 124 CO 0.20 -2.46 -0.26 -1.54 0.04 0.00 0.00 177.00 172.98 1uey s SER 125 N 5.92 3.09 0.04 6.66 1.04 -1.26 -5.14 113.70 124.06 1uey s SER 125 Ca 0.51 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.37 1uey s SER 125 Cb -0.10 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1uey s SER 125 CO 0.16 0.24 -0.07 -0.94 0.98 0.00 0.00 173.24 173.61 1uey s SER 126 N -1.29 0.80 0.00 7.02 1.04 -1.26 -5.31 113.70 114.70 1uey s SER 126 Ca 0.11 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1uey s SER 126 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1uey s SER 126 CO 0.02 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.61