#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 0.00 -0.71 1.61 2.88 -1.26 -4.87 113.62 111.28 1uey n SER 2 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1uey n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1uey n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uey n SER 3 N 1.62 -3.82 0.00 -3.46 7.64 -1.26 -5.11 113.62 109.23 1uey n SER 3 Ca 0.00 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1uey n SER 3 Cb 0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 1uey n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uey n GLY 4 N -2.88 -1.86 3.22 0.23 0.00 -1.26 -5.16 105.19 97.48 1uey n GLY 4 Ca -0.04 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1uey n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uey s SER 5 N -0.06 -0.39 0.72 1.61 0.15 -1.26 -5.14 113.70 109.32 1uey s SER 5 Ca 0.00 0.73 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 1uey s SER 5 Cb 0.00 0.69 -0.08 0.00 -1.71 0.00 0.00 66.02 64.92 1uey s SER 5 CO 0.00 -0.15 0.16 -0.24 1.20 0.00 0.00 173.24 174.21 1uey n SER 6 N 3.42 -2.59 0.00 5.45 2.88 -1.26 -4.83 113.62 116.70 1uey n SER 6 Ca -0.17 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1uey n SER 6 Cb 0.56 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1uey n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uey n GLY 7 N 2.15 1.25 0.00 0.46 0.00 -1.26 -5.08 105.19 102.71 1uey n GLY 7 Ca 0.08 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.42 0.71 -3.32 1.61 -0.04 -1.26 -5.06 135.00 127.21 1uey n PRO 8 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1uey n PRO 8 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 -0.19 0.12 0.00 0.52 -1.32 -1.26 -5.03 115.64 108.48 1uey s THR 9 Ca 0.00 -2.28 0.00 0.00 -1.21 0.00 0.00 61.69 58.20 1uey s THR 9 Cb 0.00 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1uey s THR 9 CO 0.00 -1.04 0.18 -0.81 -2.21 0.00 0.00 174.62 170.74 1uey n PRO 10 N 3.04 0.00 -1.93 7.08 -0.04 -1.26 -4.83 135.00 137.06 1uey n PRO 10 Ca 0.26 0.23 -0.41 0.00 -0.04 0.00 0.00 63.50 63.54 1uey n PRO 10 Cb 0.48 -0.85 -0.01 0.00 -0.04 0.00 0.00 33.50 33.07 1uey n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uey s ALA 11 N -3.27 3.54 0.85 0.55 0.00 -1.26 -4.99 121.76 117.18 1uey s ALA 11 Ca 0.00 1.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 1uey s ALA 11 Cb 0.00 -3.56 0.10 0.00 0.00 0.00 0.00 23.12 19.66 1uey s ALA 11 CO 0.00 -0.89 1.12 -1.25 0.00 0.00 0.00 175.76 174.74 1uey s PRO 12 N -1.97 1.69 -0.42 0.00 0.04 -1.26 -5.05 135.00 128.02 1uey s PRO 12 Ca 0.51 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1uey s PRO 12 Cb -0.44 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.37 1uey s PRO 12 CO 0.59 -1.86 0.30 0.08 0.04 0.00 0.00 177.00 176.14 1uey s VAL 13 N -3.22 0.68 0.21 -0.36 1.01 -1.26 -5.12 120.40 112.33 1uey s VAL 13 Ca 0.62 -2.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.08 1uey s VAL 13 Cb -0.14 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1uey s VAL 13 CO 0.54 -1.08 0.21 -1.22 0.00 0.00 0.00 175.10 173.54 1uey n TYR 14 N 3.26 -3.40 0.00 5.22 4.02 -1.26 -4.85 117.16 120.15 1uey n TYR 14 Ca 0.20 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1uey n TYR 14 Cb 0.41 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 -3.28 0.00 -0.99 7.72 8.00 -1.26 -5.06 116.55 121.68 1uey n ASP 15 Ca 0.03 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.62 1uey n ASP 15 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.35 -2.44 2.53 0.24 -1.26 -4.62 118.33 112.43 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 -0.67 -0.03 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 -4.26 4.34 1.00 7.34 0.04 -1.25 -4.48 135.00 137.74 1uey s PRO 17 Ca 0.00 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1uey s PRO 17 Cb 0.00 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1uey s PRO 17 CO 0.00 -0.46 -0.17 0.09 0.04 0.00 0.00 177.00 176.50 1uey n ASN 18 N 5.23 -3.23 -4.79 6.66 5.03 -0.64 -4.45 115.26 119.07 1uey n ASN 18 Ca 0.11 0.17 -0.35 0.00 0.87 0.00 0.00 54.58 55.38 1uey n ASN 18 Cb 0.46 -0.98 -0.04 0.00 -1.02 0.00 0.00 39.78 38.20 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 -3.03 3.93 1.04 3.52 0.04 -1.26 -4.40 135.00 134.83 1uey s PRO 19 Ca 0.50 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1uey s PRO 19 Cb -0.15 -2.26 0.22 0.00 0.04 0.00 0.00 34.50 32.34 1uey s PRO 19 CO 0.71 -0.33 1.20 -1.25 0.04 0.00 0.00 177.00 177.37 1uey s PRO 20 N -2.96 0.06 0.34 0.56 0.04 -1.26 -4.06 135.00 127.73 1uey s PRO 20 Ca 0.64 -0.11 -0.07 0.00 0.04 0.00 0.00 61.00 61.49 1uey s PRO 20 Cb -0.18 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1uey s PRO 20 CO 0.23 -2.85 0.56 -0.59 0.04 0.00 0.00 177.00 174.39 1uey s PHE 21 N -3.41 0.73 -1.58 0.56 -0.71 -0.05 -4.30 117.98 109.22 1uey s PHE 21 Ca 0.70 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.50 1uey s PHE 21 Cb -0.09 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1uey s PHE 21 CO 0.54 -1.24 0.00 -3.47 -1.34 0.00 0.00 175.22 169.71 1uey n ASP 22 N -1.30 -5.21 -4.73 1.98 2.03 -1.26 -2.07 116.55 105.98 1uey n ASP 22 Ca -0.02 0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 1uey n ASP 22 Cb 0.61 -4.29 -0.03 0.00 -0.72 0.00 0.00 41.12 36.70 1uey n ASP 22 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1uey s LEU 23 N -5.01 4.37 -0.12 -2.67 1.02 -1.26 -4.69 118.68 110.33 1uey s LEU 23 Ca 0.00 2.76 -0.30 0.00 0.02 0.00 0.00 54.13 56.61 1uey s LEU 23 Cb 0.00 -3.61 0.08 0.00 0.02 0.00 0.00 46.19 42.69 1uey s LEU 23 CO 0.00 -0.87 0.75 -1.61 0.02 0.00 0.00 176.35 174.64 1uey s GLU 24 N 0.70 0.92 -0.20 1.70 2.02 -0.67 -4.50 118.70 118.67 1uey s GLU 24 Ca 0.69 0.38 -0.12 0.00 0.02 0.00 0.00 54.97 55.94 1uey s GLU 24 Cb -0.46 0.44 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 1uey s GLU 24 CO 0.36 -0.25 0.23 -0.51 0.02 0.00 0.00 175.26 175.10 1uey s LEU 25 N -0.84 4.18 -0.18 1.80 2.01 -1.26 -0.89 118.68 123.49 1uey s LEU 25 Ca -0.07 0.32 -0.06 0.00 0.01 0.00 0.00 54.13 54.33 1uey s LEU 25 Cb -0.01 -2.25 0.09 0.00 0.01 0.00 0.00 46.19 44.03 1uey s LEU 25 CO 0.06 0.08 0.37 0.42 1.01 0.00 0.00 176.35 178.29 1uey s THR 26 N 0.78 -0.57 0.03 5.49 -4.23 -0.37 -4.99 115.64 111.77 1uey s THR 26 Ca 0.12 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 1uey s THR 26 Cb -0.13 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 73.09 1uey s THR 26 CO 0.03 0.06 0.12 1.51 -0.54 0.00 0.00 174.62 175.81 1uey s ASP 27 N 2.55 0.12 -0.11 3.99 -4.77 -1.26 -3.81 116.67 113.37 1uey s ASP 27 Ca 0.01 -0.43 0.14 0.00 -3.30 0.00 0.00 52.55 48.97 1uey s ASP 27 Cb -0.12 0.23 0.33 0.00 -1.09 0.00 0.00 42.92 42.26 1uey s ASP 27 CO -0.12 -0.48 1.23 0.00 0.70 0.00 0.00 175.17 176.51 1uey n GLN 28 N 0.94 2.27 -4.13 2.11 10.64 -1.26 -4.98 117.38 122.97 1uey n GLN 28 Ca -0.20 -2.44 -0.15 0.00 -1.83 0.00 0.00 57.00 52.38 1uey n GLN 28 Cb 0.58 -1.51 -0.14 0.00 -0.86 0.00 0.00 30.24 28.31 1uey n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1uey s LEU 29 N -2.36 2.06 -1.11 2.61 2.96 -1.26 -5.08 118.68 116.49 1uey s LEU 29 Ca 0.30 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 1uey s LEU 29 Cb 0.24 -0.24 0.23 0.00 0.50 0.00 0.00 46.19 46.92 1uey s LEU 29 CO 0.06 0.01 1.20 -1.81 -1.32 0.00 0.00 176.35 174.49 1uey s ASP 30 N -0.39 7.15 0.30 3.68 1.01 -1.26 -4.29 116.67 122.87 1uey s ASP 30 Ca -0.00 -3.21 0.00 0.00 0.71 0.00 0.00 52.55 50.04 1uey s ASP 30 Cb -0.03 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1uey s ASP 30 CO -0.00 -0.52 0.00 0.29 0.21 0.00 0.00 175.17 175.14 1uey n LYS 31 N 4.11 0.00 -3.53 8.23 5.02 -1.26 -5.08 118.16 125.65 1uey n LYS 31 Ca 0.28 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.28 1uey n LYS 31 Cb 0.42 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.28 1uey n LYS 31 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1uey s SER 32 N -2.00 3.46 1.18 4.39 0.01 -1.26 -4.74 113.70 114.73 1uey s SER 32 Ca 0.00 -1.27 -0.15 0.00 1.31 0.00 0.00 55.95 55.85 1uey s SER 32 Cb 0.00 -0.31 0.25 0.00 0.21 0.00 0.00 66.02 66.16 1uey s SER 32 CO 0.00 -0.44 0.71 0.55 0.41 0.00 0.00 173.24 174.47 1uey n VAL 33 N 5.25 0.00 -5.02 3.43 3.14 -1.15 -4.61 118.33 119.38 1uey n VAL 33 Ca -0.06 -0.43 -0.28 0.00 -2.96 0.00 0.00 64.34 60.61 1uey n VAL 33 Cb 0.42 -0.88 -0.16 0.00 -1.06 0.00 0.00 33.84 32.16 1uey n VAL 33 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1uey s GLN 34 N -4.10 2.02 -0.34 1.45 2.00 -1.25 -0.10 119.66 119.34 1uey s GLN 34 Ca 0.65 -0.74 -0.10 0.00 -2.00 0.00 0.00 55.36 53.17 1uey s GLN 34 Cb -0.22 -1.77 0.01 0.00 0.80 0.00 0.00 33.01 31.83 1uey s GLN 34 CO 0.66 0.34 0.17 -1.17 -0.50 0.00 0.00 175.29 174.78 1uey s LEU 35 N -0.15 4.36 -0.21 3.68 2.96 0.46 -1.24 118.68 128.54 1uey s LEU 35 Ca -0.01 -0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 52.99 1uey s LEU 35 Cb -0.11 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1uey s LEU 35 CO 0.02 -0.28 0.32 -0.44 -1.32 0.00 0.00 176.35 174.65 1uey s SER 36 N 1.57 6.34 0.16 3.68 0.01 -0.07 -2.99 113.70 122.40 1uey s SER 36 Ca 0.03 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.72 1uey s SER 36 Cb -0.18 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 1uey s SER 36 CO 0.06 -0.02 -0.04 -1.66 0.41 0.00 0.00 173.24 171.98 1uey s TRP 37 N 1.18 1.22 -0.18 2.43 -2.14 -0.96 -1.66 118.94 118.83 1uey s TRP 37 Ca 0.15 -0.91 -0.01 0.00 2.66 0.00 0.00 56.10 58.00 1uey s TRP 37 Cb -0.14 -0.68 0.05 0.00 -3.10 0.00 0.00 33.47 29.60 1uey s TRP 37 CO 0.07 -0.08 -0.03 0.99 -2.66 0.00 0.00 176.95 175.23 1uey s THR 38 N -3.51 1.00 -0.15 0.66 2.01 -0.88 -4.80 115.64 109.97 1uey s THR 38 Ca 0.20 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1uey s THR 38 Cb 0.05 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1uey s THR 38 CO 0.02 0.03 1.27 -2.16 -0.69 0.00 0.00 174.62 173.09 1uey s PRO 39 N 1.67 4.24 0.00 4.92 0.04 -1.26 -0.87 135.00 143.74 1uey s PRO 39 Ca -0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1uey s PRO 39 Cb -0.16 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1uey s PRO 39 CO -0.07 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1uey n GLY 40 N 3.60 -0.20 3.66 0.56 0.00 -1.26 -4.97 105.19 106.58 1uey n GLY 40 Ca 0.14 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 0.64 -0.00 1.61 8.00 -1.26 -4.84 116.55 120.70 1uey n ASP 41 Ca 0.00 0.57 0.07 0.00 0.71 0.00 0.00 54.79 56.14 1uey n ASP 41 Cb 0.00 -1.47 -0.10 0.00 -0.02 0.00 0.00 41.12 39.53 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1uey n ASP 42 N -2.97 1.19 -3.06 -2.24 8.00 -1.26 -1.61 116.55 114.60 1uey n ASP 42 Ca 0.13 -0.37 -0.04 0.00 0.71 0.00 0.00 54.79 55.22 1uey n ASP 42 Cb 0.51 1.38 0.02 0.00 -0.02 0.00 0.00 41.12 43.01 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 -1.72 -7.29 0.00 -2.24 5.03 -1.26 -3.20 115.26 104.58 1uey n ASN 43 Ca -0.00 -0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.20 1uey n ASN 43 Cb 0.32 -5.14 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 -2.15 0.00 -4.64 6.41 3.02 -1.26 -4.19 115.26 112.45 1uey n ASN 44 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 1uey n ASN 44 Cb 0.53 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 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 6.71 0.25 6.41 0.01 -1.19 -4.98 113.70 120.90 1uey s SER 45 Ca 0.00 1.59 -0.30 0.00 1.31 0.00 0.00 55.95 58.55 1uey s SER 45 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1uey s SER 45 CO 0.00 -0.98 1.09 -2.16 0.41 0.00 0.00 173.24 171.60 1uey s PRO 46 N 4.02 4.64 0.39 12.44 0.04 -1.26 -4.53 135.00 150.74 1uey s PRO 46 Ca 0.61 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 63.16 1uey s PRO 46 Cb -0.22 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 30.99 1uey s PRO 46 CO 0.22 0.20 1.05 -0.89 0.04 0.00 0.00 177.00 177.62 1uey n ILE 47 N 1.52 2.33 0.00 0.56 2.08 -1.26 -4.43 119.36 120.15 1uey n ILE 47 Ca -0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1uey n ILE 47 Cb 0.45 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.15 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 -0.28 0.00 -3.95 1.39 -2.24 -0.14 -4.65 114.28 104.42 1uey n THR 48 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1uey n THR 48 Cb 0.38 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.84 0.90 -0.26 -0.78 2.20 -0.70 0.20 119.74 119.46 1uey s LYS 49 Ca 0.00 -1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 54.48 1uey s LYS 49 Cb 0.00 0.32 0.09 0.00 -1.51 0.00 0.00 37.83 36.73 1uey s LYS 49 CO 0.00 -0.28 0.10 -0.06 -0.36 0.00 0.00 175.35 174.75 1uey s PHE 50 N -3.92 0.66 0.40 4.03 0.08 0.13 -1.26 117.98 118.11 1uey s PHE 50 Ca 0.10 -0.92 -0.06 0.00 0.12 0.00 0.00 56.93 56.17 1uey s PHE 50 Cb 0.05 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.43 1uey s PHE 50 CO -0.07 -0.74 0.69 0.42 -0.10 0.00 0.00 175.22 175.42 1uey s ILE 51 N 1.98 4.93 0.18 0.64 1.01 -0.46 -0.45 121.20 129.03 1uey s ILE 51 Ca 0.06 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.95 1uey s ILE 51 Cb -0.16 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1uey s ILE 51 CO -0.25 -0.60 -0.11 -0.63 0.00 0.00 0.00 174.94 173.35 1uey s ILE 52 N -2.43 1.40 0.08 2.92 1.01 0.83 0.25 121.20 125.26 1uey s ILE 52 Ca 0.46 -2.12 -0.16 0.00 0.00 0.00 0.00 60.65 58.83 1uey s ILE 52 Cb -0.10 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.44 1uey s ILE 52 CO 0.37 -0.66 0.38 -1.61 0.00 0.00 0.00 174.94 173.41 1uey s GLU 53 N -3.71 0.97 0.12 2.79 2.02 0.17 -2.10 118.70 118.96 1uey s GLU 53 Ca 0.20 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.53 1uey s GLU 53 Cb 0.01 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 34.66 1uey s GLU 53 CO 0.04 -0.35 0.20 1.52 0.02 0.00 0.00 175.26 176.68 1uey s TYR 54 N -3.21 0.32 0.02 1.61 -0.85 -0.98 0.78 117.35 115.05 1uey s TYR 54 Ca -0.01 -0.73 0.01 0.00 -0.52 0.00 0.00 57.07 55.82 1uey s TYR 54 Cb 0.01 -0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 1uey s TYR 54 CO -0.08 -0.59 -0.05 -1.83 -1.52 0.00 0.00 175.55 171.48 1uey s GLU 55 N -3.92 0.39 -0.71 -3.49 4.04 -1.24 -0.24 118.70 113.53 1uey s GLU 55 Ca 0.11 -0.52 -0.18 0.00 0.04 0.00 0.00 54.97 54.43 1uey s GLU 55 Cb 0.05 -0.19 0.13 0.00 0.02 0.00 0.00 34.13 34.14 1uey s GLU 55 CO -0.06 0.03 0.80 -0.51 -1.84 0.00 0.00 175.26 173.68 1uey s ASP 56 N -1.06 6.39 0.46 0.83 1.11 -1.21 -2.69 116.67 120.51 1uey s ASP 56 Ca -0.08 -1.82 0.26 0.00 0.18 0.00 0.00 52.55 51.09 1uey s ASP 56 Cb -0.07 -2.30 0.97 0.00 1.07 0.00 0.00 42.92 42.59 1uey s ASP 56 CO -0.00 -0.99 1.84 0.00 1.18 0.00 0.00 175.17 177.20 1uey h ALA 57 N 8.82 1.01 0.00 5.23 0.00 -1.69 1.61 119.26 134.25 1uey h ALA 57 Ca -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uey h ALA 57 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1uey h ALA 57 CO 1.03 0.22 -0.02 -0.12 0.00 0.00 0.00 179.25 180.35 1uey n MET 58 N -3.31 0.03 0.00 0.00 0.00 -1.25 -4.30 117.12 108.30 1uey n MET 58 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.70 57.73 1uey n MET 58 Cb 0.41 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.09 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 -1.60 0.00 -3.92 1.12 -0.00 -0.81 -5.00 115.22 105.01 1uey n HIS 59 Ca 0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.49 1uey n HIS 59 Cb 0.35 0.21 -0.14 0.00 -0.00 0.00 0.00 29.99 30.41 1uey n HIS 59 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1uey s LYS 60 N -0.86 1.77 -0.06 -0.41 3.01 0.54 -5.05 119.74 118.68 1uey s LYS 60 Ca 0.00 -2.38 -0.30 0.00 -1.01 0.00 0.00 55.97 52.28 1uey s LYS 60 Cb 0.00 -3.13 -0.03 0.00 -1.01 0.00 0.00 37.83 33.66 1uey s LYS 60 CO 0.00 -1.09 1.22 -1.25 0.51 0.00 0.00 175.35 174.74 1uey s PRO 61 N 0.03 4.34 0.00 -1.68 0.04 -0.69 -2.80 135.00 134.23 1uey s PRO 61 Ca 0.16 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1uey s PRO 61 Cb -0.24 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1uey s PRO 61 CO -0.02 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1uey n GLY 62 N 3.41 2.58 3.60 0.56 0.00 -1.26 -5.00 105.19 109.08 1uey n GLY 62 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1uey n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uey s LEU 63 N 0.00 3.63 -0.17 0.99 1.43 -1.12 -5.00 118.68 118.44 1uey s LEU 63 Ca 0.00 0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1uey s LEU 63 Cb 0.00 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1uey s LEU 63 CO 0.00 -1.29 0.11 0.26 0.23 0.00 0.00 176.35 175.65 1uey s TRP 64 N 4.69 3.40 0.08 0.29 0.52 -1.26 -3.81 118.94 122.86 1uey s TRP 64 Ca 0.51 0.31 0.09 0.00 0.02 0.00 0.00 56.10 57.03 1uey s TRP 64 Cb -0.09 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1uey s TRP 64 CO 0.32 0.39 -0.24 -1.01 0.02 0.00 0.00 176.95 176.43 1uey s HIS 65 N -0.09 2.04 0.24 -1.98 3.76 0.67 -4.91 115.29 115.03 1uey s HIS 65 Ca 0.09 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.29 1uey s HIS 65 Cb -0.12 -1.16 -0.12 0.00 1.11 0.00 0.00 32.58 32.29 1uey s HIS 65 CO 0.00 0.19 1.67 -1.58 -0.85 0.00 0.00 174.74 174.18 1uey s HIS 66 N -0.96 2.84 -0.01 1.40 2.46 -1.26 -2.31 115.29 117.44 1uey s HIS 66 Ca 0.10 0.52 -0.02 0.00 0.47 0.00 0.00 55.06 56.13 1uey s HIS 66 Cb -0.10 -4.11 -0.01 0.00 -0.13 0.00 0.00 32.58 28.23 1uey s HIS 66 CO 0.04 -4.03 -0.04 0.94 -2.47 0.00 0.00 174.74 169.18 1uey n GLN 67 N 3.24 0.06 -3.58 2.88 -0.06 -0.89 -4.91 117.38 114.11 1uey n GLN 67 Ca 0.13 0.02 -0.06 0.00 -2.00 0.00 0.00 57.00 55.09 1uey n GLN 67 Cb 0.36 -0.44 -0.03 0.00 -4.06 0.00 0.00 30.24 26.07 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 -1.27 0.00 0.21 1.69 -1.32 -1.24 -5.00 115.64 108.71 1uey s THR 68 Ca -0.03 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 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 0.05 0.00 -0.09 -1.83 -2.21 0.00 0.00 174.62 170.53 1uey s GLU 69 N -2.00 1.33 0.20 7.08 -1.05 -1.26 -0.12 118.70 122.87 1uey s GLU 69 Ca 0.06 -1.62 0.03 0.00 -0.15 0.00 0.00 54.97 53.29 1uey s GLU 69 Cb -0.01 -0.95 -0.01 0.00 -0.44 0.00 0.00 34.13 32.72 1uey s GLU 69 CO -0.04 0.08 0.12 1.33 0.95 0.00 0.00 175.26 177.70 1uey n VAL 70 N -0.40 0.00 -1.34 1.83 0.24 0.40 -4.94 118.33 114.12 1uey n VAL 70 Ca -0.07 -1.31 -0.29 0.00 -2.04 0.00 0.00 64.34 60.62 1uey n VAL 70 Cb 0.62 0.59 0.15 0.00 -1.47 0.00 0.00 33.84 33.73 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 -2.31 3.11 -0.15 -1.34 0.01 -1.26 -0.69 113.70 111.07 1uey s SER 71 Ca 0.18 1.11 0.05 0.00 1.31 0.00 0.00 55.95 58.60 1uey s SER 71 Cb 0.01 -1.74 0.36 0.00 0.21 0.00 0.00 66.02 64.86 1uey s SER 71 CO 0.12 -2.82 1.21 0.61 0.41 0.00 0.00 173.24 172.77 1uey n GLY 72 N -1.61 2.53 0.02 3.44 0.00 0.53 -3.72 105.19 106.38 1uey n GLY 72 Ca 0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 0.10 0.21 -2.32 2.61 -1.04 -1.26 -4.60 114.28 107.99 1uey n THR 73 Ca 0.18 -0.09 -0.26 0.00 -2.04 0.00 0.00 64.05 61.84 1uey n THR 73 Cb 0.82 -0.69 0.04 0.00 -1.82 0.00 0.00 70.33 68.68 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 -2.07 2.71 0.00 -2.82 -2.07 -1.24 -5.01 119.66 109.15 1uey s GLN 74 Ca -0.04 -0.06 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 1uey s GLN 74 Cb 0.01 -2.23 0.00 0.00 -1.09 0.00 0.00 33.01 29.70 1uey s GLN 74 CO 0.09 -0.86 0.83 0.25 -1.32 0.00 0.00 175.29 174.28 1uey n THR 75 N -2.69 0.00 -3.71 3.63 -2.24 -1.26 -4.85 114.28 103.15 1uey n THR 75 Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 1uey n THR 75 Cb 0.58 0.48 -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 0.08 0.05 4.28 -4.23 -1.26 -2.28 115.64 112.28 1uey s THR 76 Ca 0.00 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 60.86 1uey s THR 76 Cb 0.00 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1uey s THR 76 CO 0.00 0.21 -0.13 0.00 -0.54 0.00 0.00 174.62 174.16 1uey s ALA 77 N 2.07 1.06 0.11 3.99 0.00 -1.16 -4.95 121.76 122.88 1uey s ALA 77 Ca 0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1uey s ALA 77 Cb -0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1uey s ALA 77 CO -0.04 0.17 0.99 -0.65 0.00 0.00 0.00 175.76 176.23 1uey s GLN 78 N -1.33 4.66 -0.17 0.00 1.11 -1.26 -0.41 119.66 122.27 1uey s GLN 78 Ca -0.01 1.50 -0.04 0.00 0.01 0.00 0.00 55.36 56.83 1uey s GLN 78 Cb -0.08 -3.37 -0.02 0.00 -1.01 0.00 0.00 33.01 28.53 1uey s GLN 78 CO 0.01 0.16 -0.04 -0.51 0.01 0.00 0.00 175.29 174.92 1uey s LEU 79 N 0.05 3.17 -0.46 2.90 1.43 0.86 -4.92 118.68 121.71 1uey s LEU 79 Ca 0.48 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.16 1uey s LEU 79 Cb -0.24 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1uey s LEU 79 CO 0.30 0.13 0.79 0.20 0.23 0.00 0.00 176.35 178.00 1uey s ASN 80 N 0.60 6.40 0.04 2.29 0.01 -1.26 -2.93 114.94 120.09 1uey s ASN 80 Ca -0.03 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 51.98 1uey s ASN 80 Cb -0.14 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1uey s ASN 80 CO 0.02 -0.94 0.06 -0.76 -1.51 0.00 0.00 177.10 173.97 1uey s LEU 81 N 3.31 3.75 0.26 0.60 1.43 -1.26 -5.09 118.68 121.68 1uey s LEU 81 Ca 0.29 0.03 0.11 0.00 -1.03 0.00 0.00 54.13 53.53 1uey s LEU 81 Cb -0.12 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1uey s LEU 81 CO 0.22 0.23 -0.19 -0.44 0.23 0.00 0.00 176.35 176.40 1uey s SER 82 N -2.01 3.33 0.26 2.29 0.01 -1.26 -5.06 113.70 111.26 1uey s SER 82 Ca 0.25 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.19 1uey s SER 82 Cb -0.12 -0.26 -0.09 0.00 0.21 0.00 0.00 66.02 65.76 1uey s SER 82 CO 0.17 -0.01 1.08 -2.16 0.41 0.00 0.00 173.24 172.73 1uey s PRO 83 N -3.53 4.66 -0.53 12.44 0.04 -1.26 -4.17 135.00 142.65 1uey s PRO 83 Ca 0.28 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 1uey s PRO 83 Cb -0.04 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1uey s PRO 83 CO 0.13 0.22 0.53 0.66 0.04 0.00 0.00 177.00 178.59 1uey n TYR 84 N 1.38 -2.43 0.00 0.56 4.01 -1.26 -5.06 117.16 114.36 1uey n TYR 84 Ca -0.01 0.94 0.00 0.00 -0.16 0.00 0.00 57.90 58.67 1uey n TYR 84 Cb 0.45 -3.55 0.00 0.00 -0.31 0.00 0.00 39.34 35.93 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 -1.33 0.00 -4.06 -0.72 3.14 -1.26 -5.16 118.33 108.94 1uey n VAL 85 Ca 0.02 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.08 1uey n VAL 85 Cb 0.47 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.18 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 5.77 -0.11 6.55 2.47 -1.26 -4.53 114.94 123.84 1uey s ASN 86 Ca 0.00 0.15 -0.33 0.00 0.42 0.00 0.00 52.86 53.10 1uey s ASN 86 Cb 0.00 -1.67 0.13 0.00 -1.45 0.00 0.00 41.25 38.26 1uey s ASN 86 CO 0.00 0.25 1.28 -0.72 -3.72 0.00 0.00 177.10 174.19 1uey s TYR 87 N -1.26 -0.06 0.52 0.43 -0.85 -1.25 -2.76 117.35 112.12 1uey s TYR 87 Ca 0.25 -0.00 0.05 0.00 -0.52 0.00 0.00 57.07 56.85 1uey s TYR 87 Cb -0.12 0.53 0.05 0.00 0.38 0.00 0.00 41.96 42.80 1uey s TYR 87 CO 0.16 -0.21 0.43 0.43 -1.52 0.00 0.00 175.55 174.85 1uey n SER 88 N -0.31 2.56 -3.81 -0.18 7.64 -1.09 -3.34 113.62 115.09 1uey n SER 88 Ca -0.04 -2.73 -0.22 0.00 1.01 0.00 0.00 58.87 56.88 1uey n SER 88 Cb 0.61 -0.08 -0.17 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.53 0.74 -0.11 1.43 0.08 -1.26 -3.72 117.98 112.60 1uey s PHE 89 Ca 0.33 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.19 1uey s PHE 89 Cb -0.03 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.63 1uey s PHE 89 CO 0.21 -0.31 -0.21 -0.98 -0.10 0.00 0.00 175.22 173.83 1uey s ARG 90 N 1.69 3.12 -0.09 0.44 1.70 0.23 -3.06 118.95 122.99 1uey s ARG 90 Ca 0.01 -0.83 -0.05 0.00 -0.47 0.00 0.00 55.73 54.38 1uey s ARG 90 Cb -0.13 -2.39 -0.04 0.00 -0.57 0.00 0.00 34.95 31.82 1uey s ARG 90 CO -0.04 0.16 0.13 0.08 -1.08 0.00 0.00 175.30 174.56 1uey s VAL 91 N 0.40 5.35 0.16 4.99 1.01 -1.26 0.45 120.40 131.49 1uey s VAL 91 Ca -0.16 0.06 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1uey s VAL 91 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1uey s VAL 91 CO 0.07 0.54 -0.19 -0.04 0.00 0.00 0.00 175.10 175.48 1uey s MET 92 N -1.25 1.26 -0.05 2.72 -1.94 0.69 -0.18 119.30 120.54 1uey s MET 92 Ca 0.18 -1.38 0.06 0.00 -1.71 0.00 0.00 55.69 52.84 1uey s MET 92 Cb -0.12 -1.35 -0.01 0.00 2.01 0.00 0.00 34.83 35.36 1uey s MET 92 CO 0.08 0.28 -0.24 0.00 -0.01 0.00 0.00 175.02 175.13 1uey s ALA 93 N -1.93 2.06 -0.05 3.03 0.00 -1.26 -1.35 121.76 122.26 1uey s ALA 93 Ca 0.15 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1uey s ALA 93 Cb -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1uey s ALA 93 CO 0.06 0.39 -0.11 0.08 0.00 0.00 0.00 175.76 176.18 1uey s VAL 94 N -0.13 1.04 0.00 0.00 1.01 -0.39 -0.10 120.40 121.83 1uey s VAL 94 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1uey s VAL 94 Cb -0.13 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1uey s VAL 94 CO 0.03 0.33 0.00 -0.46 0.00 0.00 0.00 175.10 175.00 1uey n ASN 95 N 3.64 0.74 -0.31 3.32 0.23 -0.73 -0.96 115.26 121.19 1uey n ASN 95 Ca -0.22 -0.73 0.11 0.00 -0.53 0.00 0.00 54.58 53.21 1uey n ASN 95 Cb 0.52 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.46 0.00 0.53 0.02 -1.90 -3.05 113.55 109.61 1uey h SER 96 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1uey h SER 96 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1uey h SER 96 CO 0.00 0.12 0.00 -0.38 -1.14 0.00 0.00 176.83 175.43 1uey n ILE 97 N -4.94 0.00 -2.37 3.27 2.08 -1.26 -5.04 119.36 111.09 1uey n ILE 97 Ca 0.20 0.92 0.00 0.00 0.56 0.00 0.00 62.75 64.43 1uey n ILE 97 Cb 0.56 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 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 -0.35 2.02 3.78 7.39 0.00 -1.15 -5.01 105.19 111.86 1uey n GLY 98 Ca 0.00 -0.66 -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 1.07 4.11 0.80 1.61 2.20 -1.26 -1.77 119.74 126.50 1uey s LYS 99 Ca 0.00 0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.85 1uey s LYS 99 Cb 0.00 -3.34 0.15 0.00 -1.51 0.00 0.00 37.83 33.13 1uey s LYS 99 CO 0.00 0.42 1.11 -1.54 -0.36 0.00 0.00 175.35 174.98 1uey s SER 100 N -0.17 3.93 0.86 1.43 1.04 0.85 -4.97 113.70 116.67 1uey s SER 100 Ca 0.22 -0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1uey s SER 100 Cb -0.15 -0.13 0.11 0.00 0.10 0.00 0.00 66.02 65.94 1uey s SER 100 CO 0.09 -2.16 1.10 -0.76 0.98 0.00 0.00 173.24 172.49 1uey s LEU 101 N -5.40 2.61 0.33 2.42 1.43 -1.26 -4.55 118.68 114.26 1uey s LEU 101 Ca 0.69 1.73 -0.27 0.00 -1.03 0.00 0.00 54.13 55.24 1uey s LEU 101 Cb -0.05 -4.24 -0.09 0.00 0.03 0.00 0.00 46.19 41.84 1uey s LEU 101 CO 0.47 -2.50 1.07 -2.16 0.23 0.00 0.00 176.35 173.46 1uey s PRO 102 N -4.86 4.45 0.99 1.29 0.04 -1.26 -4.56 135.00 131.07 1uey s PRO 102 Ca 0.63 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 1uey s PRO 102 Cb -0.18 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.46 1uey s PRO 102 CO 0.57 0.08 0.13 -1.13 0.04 0.00 0.00 177.00 176.68 1uey n SER 103 N 0.66 -2.70 0.00 6.66 3.41 0.75 -4.87 113.62 117.53 1uey n SER 103 Ca 0.01 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1uey n SER 103 Cb 0.47 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 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 -1.08 0.00 0.00 4.33 -0.58 -1.26 -4.71 120.64 117.34 1uey n GLU 104 Ca 0.04 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1uey n GLU 104 Cb 0.56 -0.72 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 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 -1.12 0.00 -0.87 0.62 0.00 -1.26 -5.02 120.51 112.86 1uey n ALA 105 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1uey n ALA 105 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 -3.65 -4.52 0.00 3.41 -1.17 -4.81 113.62 102.88 1uey n SER 106 Ca 0.00 0.23 -0.40 0.00 -0.26 0.00 0.00 58.87 58.44 1uey n SER 106 Cb 0.00 -0.99 0.02 0.00 -0.26 0.00 0.00 64.21 62.98 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 0.05 0.82 -2.09 4.33 0.28 -1.26 -4.50 120.64 118.27 1uey n GLU 107 Ca 0.03 0.30 -0.35 0.00 -0.16 0.00 0.00 57.16 56.99 1uey n GLU 107 Cb 0.56 -1.79 -0.04 0.00 1.43 0.00 0.00 31.44 31.61 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 -1.96 2.67 -0.35 3.44 -0.21 -1.26 -4.67 119.66 117.33 1uey s GLN 108 Ca 0.66 0.17 -0.29 0.00 0.02 0.00 0.00 55.36 55.92 1uey s GLN 108 Cb -0.53 -4.65 0.02 0.00 1.00 0.00 0.00 33.01 28.84 1uey s GLN 108 CO 0.56 -2.91 1.10 -0.47 -2.12 0.00 0.00 175.29 171.44 1uey s TYR 109 N 9.08 3.07 -0.19 0.91 6.14 -1.21 -4.95 117.35 130.19 1uey s TYR 109 Ca 0.65 1.10 0.01 0.00 0.64 0.00 0.00 57.07 59.47 1uey s TYR 109 Cb -0.10 -3.83 0.04 0.00 0.42 0.00 0.00 41.96 38.49 1uey s TYR 109 CO 0.12 -0.89 -0.10 -1.17 0.64 0.00 0.00 175.55 174.14 1uey s LEU 110 N 3.82 2.21 0.00 6.97 0.20 -1.26 -4.10 118.68 126.52 1uey s LEU 110 Ca 0.46 -0.86 -0.07 0.00 0.69 0.00 0.00 54.13 54.35 1uey s LEU 110 Cb -0.11 -1.20 0.11 0.00 -0.43 0.00 0.00 46.19 44.55 1uey s LEU 110 CO 0.18 -0.15 0.32 0.35 -0.29 0.00 0.00 176.35 176.77 1uey n THR 111 N 4.70 0.00 -4.32 3.68 -2.24 -1.26 -4.85 114.28 109.99 1uey n THR 111 Ca -0.14 -0.08 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 1uey n THR 111 Cb 0.47 -0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.75 1.27 -0.38 -0.78 1.02 -1.26 -4.84 119.74 111.02 1uey s LYS 112 Ca 0.22 -1.58 -0.03 0.00 0.02 0.00 0.00 55.97 54.60 1uey s LYS 112 Cb -0.03 -0.87 0.22 0.00 -0.52 0.00 0.00 37.83 36.64 1uey s LYS 112 CO 0.18 0.08 1.05 0.00 -0.92 0.00 0.00 175.35 175.74 1uey n ALA 113 N -0.35 -3.26 -3.84 5.17 0.00 -1.26 -4.75 120.51 112.22 1uey n ALA 113 Ca -0.08 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 1uey n ALA 113 Cb 0.61 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 2.40 -4.55 -3.63 0.00 2.88 -1.26 -4.94 113.62 104.52 1uey n SER 114 Ca 0.11 -1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 56.56 1uey n SER 114 Cb 0.64 -1.56 -0.06 0.00 -0.75 0.00 0.00 64.21 62.49 1uey n SER 114 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uey s GLU 115 N -5.42 0.28 0.00 -1.46 2.02 -1.26 -5.18 118.70 107.68 1uey s GLU 115 Ca 0.09 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1uey s GLU 115 Cb -0.05 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.31 1uey s GLU 115 CO 0.90 -0.06 0.00 -0.35 0.02 0.00 0.00 175.26 175.77 1uey n PRO 116 N 1.38 0.60 -2.44 0.39 -0.04 -1.26 -4.88 135.00 128.75 1uey n PRO 116 Ca -0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1uey n PRO 116 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.80 -3.11 -3.73 3.54 2.03 -1.26 -4.86 116.55 108.37 1uey n ASP 117 Ca 0.00 1.14 -0.42 0.00 0.52 0.00 0.00 54.79 56.04 1uey n ASP 117 Cb 0.00 -4.55 0.01 0.00 -0.72 0.00 0.00 41.12 35.86 1uey n ASP 117 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1uey n LYS 118 N 1.08 4.46 -1.50 -0.67 5.02 -1.26 -4.87 118.16 120.42 1uey n LYS 118 Ca -0.22 -3.95 0.00 0.00 -2.02 0.00 0.00 58.31 52.12 1uey n LYS 118 Cb 0.33 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1uey n LYS 118 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1uey n ASN 119 N 1.90 -7.37 -4.76 4.39 2.85 -1.26 -4.91 115.26 106.10 1uey n ASN 119 Ca 0.45 1.01 -0.40 0.00 -0.11 0.00 0.00 54.58 55.52 1uey n ASN 119 Cb 0.30 -3.71 -0.04 0.00 1.24 0.00 0.00 39.78 37.57 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 -2.04 4.67 -0.44 1.20 0.04 -1.26 -4.97 135.00 132.20 1uey s PRO 120 Ca 0.00 1.77 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1uey s PRO 120 Cb 0.00 -3.20 0.31 0.00 0.04 0.00 0.00 34.50 31.65 1uey s PRO 120 CO 0.00 0.25 1.14 -2.37 0.04 0.00 0.00 177.00 176.06 1uey n THR 121 N 1.24 0.00 -2.70 1.26 5.66 -1.26 -5.06 114.28 113.42 1uey n THR 121 Ca -0.01 -1.38 -0.01 0.00 -3.05 0.00 0.00 64.05 59.60 1uey n THR 121 Cb 0.45 1.44 -0.01 0.00 -1.55 0.00 0.00 70.33 70.66 1uey n THR 121 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1uey n SER 122 N 0.50 -6.23 0.00 1.09 2.88 -1.26 -4.78 113.62 105.82 1uey n SER 122 Ca 0.05 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 59.00 1uey n SER 122 Cb 0.70 -5.29 0.00 0.00 -0.75 0.00 0.00 64.21 58.87 1uey n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uey n GLY 123 N 0.96 0.74 0.06 0.46 0.00 -1.26 -3.73 105.19 102.43 1uey n GLY 123 Ca -0.10 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1uey n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uey h PRO 124 N 0.00 0.01 -5.58 1.61 0.13 -2.00 -3.50 132.00 122.67 1uey h PRO 124 Ca 0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1uey h PRO 124 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uey h PRO 124 CO 0.00 0.76 -0.96 0.45 -0.23 0.00 0.00 178.00 178.01 1uey n SER 125 N -4.72 -7.49 -3.22 1.44 2.88 -1.24 -4.28 113.62 96.98 1uey n SER 125 Ca -0.09 0.98 -0.18 0.00 -1.33 0.00 0.00 58.87 58.25 1uey n SER 125 Cb 0.37 -4.09 0.02 0.00 -0.75 0.00 0.00 64.21 59.76 1uey n SER 125 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uey n SER 126 N 0.73 -6.49 0.00 -3.46 3.41 -1.26 -5.16 113.62 101.40 1uey n SER 126 Ca 0.01 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1uey n SER 126 Cb 0.22 -2.59 0.00 0.00 -0.26 0.00 0.00 64.21 61.59 1uey n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49