#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 -7.10 -3.59 1.61 7.64 -1.26 -5.11 113.62 105.82 1uey n SER 2 Ca 0.00 0.93 0.01 0.00 1.01 0.00 0.00 58.87 60.83 1uey n SER 2 Cb 0.00 -3.27 -0.01 0.00 -1.01 0.00 0.00 64.21 59.93 1uey n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uey s SER 3 N -1.49 -0.03 0.00 6.43 0.01 -1.26 -5.18 113.70 112.18 1uey s SER 3 Ca 0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1uey s SER 3 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1uey s SER 3 CO 0.00 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1uey n GLY 4 N -0.37 4.14 3.21 3.44 0.00 -1.26 -5.15 105.19 109.20 1uey n GLY 4 Ca -0.06 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 1.96 1.02 1.61 0.15 -1.26 -5.13 113.70 112.06 1uey s SER 5 Ca 0.00 -0.61 -0.17 0.00 0.70 0.00 0.00 55.95 55.87 1uey s SER 5 Cb 0.00 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1uey s SER 5 CO 0.00 -0.01 -0.11 -0.24 1.20 0.00 0.00 173.24 174.08 1uey n SER 6 N 1.32 -2.82 0.00 5.45 2.88 -1.26 -5.01 113.62 114.19 1uey n SER 6 Ca -0.20 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1uey n SER 6 Cb 0.54 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 2.17 0.78 3.70 0.46 0.00 -1.26 -5.13 105.19 105.91 1uey n GLY 7 Ca 0.02 0.46 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.04 4.40 -0.30 1.61 0.04 -1.26 -4.99 135.00 134.46 1uey s PRO 8 Ca 0.00 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 1uey s PRO 8 Cb 0.00 -3.46 0.19 0.00 0.04 0.00 0.00 34.50 31.26 1uey s PRO 8 CO 0.00 -0.35 1.17 -0.08 0.04 0.00 0.00 177.00 177.78 1uey s THR 9 N 1.66 -0.14 -0.81 1.26 -1.32 -1.26 -5.10 115.64 109.93 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 -0.27 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1uey s THR 9 CO 0.26 0.00 1.62 -2.16 -2.21 0.00 0.00 174.62 172.13 1uey s PRO 10 N 1.78 2.99 -0.29 7.08 0.04 -1.26 -4.88 135.00 140.47 1uey s PRO 10 Ca -0.04 -0.24 -0.23 0.00 0.04 0.00 0.00 61.00 60.53 1uey s PRO 10 Cb -0.03 -4.72 0.13 0.00 0.04 0.00 0.00 34.50 29.93 1uey s PRO 10 CO -0.15 -2.60 1.05 0.00 0.04 0.00 0.00 177.00 175.35 1uey s ALA 11 N 7.42 -2.08 0.89 8.56 0.00 -1.26 -5.17 121.76 130.12 1uey s ALA 11 Ca 0.54 1.95 -0.12 0.00 0.00 0.00 0.00 51.96 54.33 1uey s ALA 11 Cb -0.07 -1.54 0.13 0.00 0.00 0.00 0.00 23.12 21.63 1uey s ALA 11 CO 0.07 -0.26 1.13 -1.25 0.00 0.00 0.00 175.76 175.45 1uey s PRO 12 N 0.52 1.32 -0.38 0.00 0.04 -1.26 -5.05 135.00 130.18 1uey s PRO 12 Ca 0.00 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.42 1uey s PRO 12 Cb -0.05 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.80 1uey s PRO 12 CO -0.09 -2.09 0.29 0.08 0.04 0.00 0.00 177.00 175.22 1uey s VAL 13 N -3.26 0.19 0.42 -0.36 1.01 -1.26 -5.13 120.40 112.02 1uey s VAL 13 Ca 0.63 -2.12 -0.07 0.00 0.00 0.00 0.00 61.98 60.42 1uey s VAL 13 Cb -0.15 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.19 1uey s VAL 13 CO 0.53 -1.08 0.42 -1.22 0.00 0.00 0.00 175.10 173.75 1uey n TYR 14 N 3.45 -3.49 0.00 5.22 4.02 -1.26 -4.79 117.16 120.32 1uey n TYR 14 Ca 0.21 -0.38 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1uey n TYR 14 Cb 0.43 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 -3.59 0.00 -1.01 7.72 8.00 -1.26 -5.05 116.55 121.36 1uey n ASP 15 Ca 0.06 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.65 1uey n ASP 15 Cb 0.21 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.43 -2.41 2.53 0.24 -1.26 -4.59 118.33 112.40 1uey n VAL 16 Ca 0.00 0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 62.35 1uey n VAL 16 Cb 0.00 -0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 31.62 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 -4.43 4.24 1.00 7.34 0.04 -1.25 -4.53 135.00 137.40 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 -3.76 -0.11 0.00 0.04 0.00 0.00 34.50 30.67 1uey s PRO 17 CO 0.00 -0.70 -0.72 0.09 0.04 0.00 0.00 177.00 175.72 1uey n ASN 18 N 6.53 -4.33 -4.79 6.66 5.03 -0.65 -4.47 115.26 119.25 1uey n ASN 18 Ca 0.14 0.13 -0.36 0.00 0.87 0.00 0.00 54.58 55.37 1uey n ASN 18 Cb 0.45 -0.79 -0.04 0.00 -1.02 0.00 0.00 39.78 38.38 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 -2.40 4.02 0.93 3.52 0.04 -1.26 -4.44 135.00 135.41 1uey s PRO 19 Ca 0.43 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1uey s PRO 19 Cb -0.11 -2.38 0.15 0.00 0.04 0.00 0.00 34.50 32.21 1uey s PRO 19 CO 0.75 -0.25 1.15 -1.25 0.04 0.00 0.00 177.00 177.43 1uey s PRO 20 N -2.77 0.94 0.31 0.56 0.04 -1.26 -4.09 135.00 128.74 1uey s PRO 20 Ca 0.61 0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 1uey s PRO 20 Cb -0.20 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1uey s PRO 20 CO 0.25 -2.32 0.53 -0.59 0.04 0.00 0.00 177.00 174.92 1uey s PHE 21 N -3.31 0.57 -1.18 0.56 -0.12 -0.54 -4.47 117.98 109.50 1uey s PHE 21 Ca 0.65 -0.94 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1uey s PHE 21 Cb -0.14 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.46 1uey s PHE 21 CO 0.53 -1.15 0.00 -3.47 -0.05 0.00 0.00 175.22 171.09 1uey n ASP 22 N -0.93 -4.33 -4.61 1.98 -0.08 -1.26 -2.53 116.55 104.79 1uey n ASP 22 Ca -0.02 0.27 -0.49 0.00 -1.51 0.00 0.00 54.79 53.04 1uey n ASP 22 Cb 0.61 -2.82 -0.04 0.00 2.34 0.00 0.00 41.12 41.21 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 -1.27 2.08 -3.54 -2.67 4.32 -1.26 -4.81 117.00 109.85 1uey n LEU 23 Ca -0.11 1.13 -0.16 0.00 -0.02 0.00 0.00 56.01 56.84 1uey n LEU 23 Cb 0.37 -1.28 -0.06 0.00 -1.62 0.00 0.00 43.42 40.83 1uey n LEU 23 CO 0.17 -0.92 0.50 -1.61 -1.22 0.00 0.00 177.39 174.31 1uey s GLU 24 N 0.08 0.95 -0.40 3.23 2.02 -0.97 -4.24 118.70 119.36 1uey s GLU 24 Ca 0.77 0.30 -0.14 0.00 0.02 0.00 0.00 54.97 55.91 1uey s GLU 24 Cb -0.82 0.45 0.02 0.00 0.10 0.00 0.00 34.13 33.88 1uey s GLU 24 CO 0.48 -0.28 0.28 -0.51 0.02 0.00 0.00 175.26 175.25 1uey s LEU 25 N -1.04 5.04 -0.18 1.80 2.01 -1.26 -1.42 118.68 123.63 1uey s LEU 25 Ca -0.08 -0.92 0.00 0.00 0.01 0.00 0.00 54.13 53.14 1uey s LEU 25 Cb -0.01 -2.14 0.04 0.00 0.01 0.00 0.00 46.19 44.10 1uey s LEU 25 CO 0.08 -0.44 -0.10 0.42 1.01 0.00 0.00 176.35 177.32 1uey s THR 26 N 1.66 1.52 0.19 5.49 -4.23 -0.47 -4.99 115.64 114.80 1uey s THR 26 Ca 0.04 -0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1uey s THR 26 Cb -0.19 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1uey s THR 26 CO 0.09 0.21 0.28 1.51 -0.54 0.00 0.00 174.62 176.17 1uey s ASP 27 N 1.46 0.06 -0.02 3.99 -4.77 -1.26 -3.62 116.67 112.50 1uey s ASP 27 Ca 0.00 -1.06 0.04 0.00 -3.30 0.00 0.00 52.55 48.23 1uey s ASP 27 Cb -0.15 0.45 0.05 0.00 -1.09 0.00 0.00 42.92 42.18 1uey s ASP 27 CO -0.08 -0.93 1.00 0.00 0.70 0.00 0.00 175.17 175.86 1uey n GLN 28 N -0.26 0.27 -1.48 2.11 10.64 -1.26 -5.01 117.38 122.39 1uey n GLN 28 Ca -0.03 -1.28 0.00 0.00 -1.83 0.00 0.00 57.00 53.86 1uey n GLN 28 Cb 0.64 -0.69 0.00 0.00 -0.86 0.00 0.00 30.24 29.32 1uey n GLN 28 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1uey n LEU 29 N -0.27 0.00 0.00 2.61 7.99 -1.26 -5.09 117.00 120.98 1uey n LEU 29 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1uey n LEU 29 Cb 0.67 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.98 1uey n LEU 29 CO 0.00 0.00 -0.43 0.47 -1.51 0.00 0.00 177.39 175.93 1uey n ASP 30 N -1.43 3.38 -0.36 -1.43 9.92 -1.26 -4.78 116.55 120.59 1uey n ASP 30 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 1uey n ASP 30 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1uey n ASP 30 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1uey n LYS 31 N -2.36 -0.32 -4.08 -1.24 4.76 -1.26 -4.73 118.16 108.94 1uey n LYS 31 Ca 0.00 1.36 -0.15 0.00 -2.87 0.00 0.00 58.31 56.65 1uey n LYS 31 Cb 0.43 -2.01 -0.04 0.00 -1.84 0.00 0.00 35.03 31.57 1uey n LYS 31 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1uey s SER 32 N -5.40 0.90 -0.03 4.39 0.01 -1.26 -4.74 113.70 107.58 1uey s SER 32 Ca -0.11 -1.48 0.05 0.00 1.31 0.00 0.00 55.95 55.72 1uey s SER 32 Cb 0.13 0.67 -0.01 0.00 0.21 0.00 0.00 66.02 67.02 1uey s SER 32 CO 0.59 -1.31 -0.19 0.54 0.41 0.00 0.00 173.24 173.28 1uey s VAL 33 N -3.03 1.51 -0.12 3.43 0.11 -0.73 -4.56 120.40 117.01 1uey s VAL 33 Ca 0.30 -0.78 -0.23 0.00 -2.93 0.00 0.00 61.98 58.34 1uey s VAL 33 Cb -0.01 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1uey s VAL 33 CO 0.20 0.43 0.71 -1.58 -3.33 0.00 0.00 175.10 171.53 1uey s GLN 34 N -0.17 4.36 -0.35 1.54 0.74 -1.24 0.20 119.66 124.74 1uey s GLN 34 Ca 0.01 0.85 -0.14 0.00 0.05 0.00 0.00 55.36 56.13 1uey s GLN 34 Cb -0.10 -3.50 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 1uey s GLN 34 CO 0.01 -0.09 0.28 -1.17 -0.55 0.00 0.00 175.29 173.77 1uey s LEU 35 N 1.35 4.60 -0.20 3.68 2.96 0.13 -1.37 118.68 129.82 1uey s LEU 35 Ca 0.36 -0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 1uey s LEU 35 Cb -0.17 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1uey s LEU 35 CO 0.15 -0.29 0.31 -0.44 -1.32 0.00 0.00 176.35 174.76 1uey s SER 36 N 1.72 6.36 0.19 3.68 0.01 -0.51 -2.58 113.70 122.57 1uey s SER 36 Ca 0.07 0.42 0.06 0.00 1.31 0.00 0.00 55.95 57.80 1uey s SER 36 Cb -0.17 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1uey s SER 36 CO 0.11 0.00 -0.10 -1.66 0.41 0.00 0.00 173.24 172.00 1uey s TRP 37 N 1.03 1.51 -0.24 2.43 -2.14 -0.70 -2.30 118.94 118.53 1uey s TRP 37 Ca 0.16 -0.72 0.01 0.00 2.66 0.00 0.00 56.10 58.20 1uey s TRP 37 Cb -0.14 -0.77 0.06 0.00 -3.10 0.00 0.00 33.47 29.53 1uey s TRP 37 CO 0.06 0.17 -0.03 0.99 -2.66 0.00 0.00 176.95 175.48 1uey s THR 38 N -3.20 1.45 -0.46 0.66 2.01 -1.05 -4.81 115.64 110.24 1uey s THR 38 Ca 0.21 -1.23 -0.28 0.00 0.31 0.00 0.00 61.69 60.70 1uey s THR 38 Cb 0.02 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1uey s THR 38 CO 0.05 -0.16 1.44 -2.16 -0.69 0.00 0.00 174.62 173.10 1uey s PRO 39 N 1.42 3.45 0.00 4.92 0.04 -1.26 -1.46 135.00 142.11 1uey s PRO 39 Ca -0.04 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1uey s PRO 39 Cb -0.19 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1uey s PRO 39 CO -0.07 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1uey n GLY 40 N 5.17 -2.94 3.62 0.56 0.00 -1.26 -4.90 105.19 105.46 1uey n GLY 40 Ca 0.16 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 0.43 -0.00 1.61 9.92 -1.26 -4.82 116.55 122.42 1uey n ASP 41 Ca 0.00 0.60 0.08 0.00 -0.53 0.00 0.00 54.79 54.94 1uey n ASP 41 Cb 0.00 -1.42 -0.11 0.00 -0.64 0.00 0.00 41.12 38.95 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 -2.24 1.11 -3.07 -2.24 8.00 -1.26 -1.63 116.55 115.22 1uey n ASP 42 Ca 0.13 -0.34 -0.04 0.00 0.71 0.00 0.00 54.79 55.24 1uey n ASP 42 Cb 0.50 1.44 0.02 0.00 -0.02 0.00 0.00 41.12 43.06 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 -1.78 -7.31 0.00 -2.24 5.03 -1.26 -3.19 115.26 104.51 1uey n ASN 43 Ca -0.01 -0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.19 1uey n ASN 43 Cb 0.35 -5.16 0.00 0.00 -1.02 0.00 0.00 39.78 33.95 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 -2.18 0.00 -4.64 6.41 3.02 -1.26 -4.18 115.26 112.44 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 6.62 0.42 6.41 0.01 -1.19 -4.99 113.70 120.98 1uey s SER 45 Ca 0.00 1.53 -0.23 0.00 1.31 0.00 0.00 55.95 58.56 1uey s SER 45 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 1uey s SER 45 CO 0.00 -1.07 1.05 -2.16 0.41 0.00 0.00 173.24 171.47 1uey s PRO 46 N 4.21 4.06 0.46 12.44 0.04 -1.26 -4.54 135.00 150.41 1uey s PRO 46 Ca 0.63 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 1uey s PRO 46 Cb -0.22 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1uey s PRO 46 CO 0.24 -0.23 1.43 0.42 0.04 0.00 0.00 177.00 178.90 1uey s ILE 47 N -1.74 2.03 0.00 0.56 -1.09 -1.26 -4.52 121.20 115.18 1uey s ILE 47 Ca 0.60 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1uey s ILE 47 Cb -0.21 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 1uey s ILE 47 CO 0.26 0.00 0.00 0.35 -1.23 0.00 0.00 174.94 174.32 1uey n THR 48 N -0.31 0.00 -4.01 2.92 -2.24 -0.87 -4.56 114.28 105.21 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 0.42 -0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.75 0.65 -0.23 -0.78 2.20 -0.98 0.20 119.74 119.06 1uey s LYS 49 Ca 0.00 -1.08 -0.03 0.00 -0.36 0.00 0.00 55.97 54.50 1uey s LYS 49 Cb 0.00 0.24 0.07 0.00 -1.51 0.00 0.00 37.83 36.63 1uey s LYS 49 CO 0.00 -0.15 0.07 -0.06 -0.36 0.00 0.00 175.35 174.85 1uey s PHE 50 N -3.67 0.97 0.37 4.03 0.08 0.28 -1.91 117.98 118.13 1uey s PHE 50 Ca 0.04 -0.97 -0.08 0.00 0.12 0.00 0.00 56.93 56.04 1uey s PHE 50 Cb 0.06 -1.10 -0.06 0.00 -0.57 0.00 0.00 43.02 41.34 1uey s PHE 50 CO -0.09 -0.68 0.70 0.42 -0.10 0.00 0.00 175.22 175.47 1uey s ILE 51 N 1.88 4.87 0.13 0.64 1.01 0.01 0.66 121.20 130.39 1uey s ILE 51 Ca 0.03 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.13 1uey s ILE 51 Cb -0.17 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1uey s ILE 51 CO -0.15 -0.48 -0.11 -0.63 0.00 0.00 0.00 174.94 173.58 1uey s ILE 52 N -2.30 1.13 0.12 2.92 1.01 0.11 0.19 121.20 124.37 1uey s ILE 52 Ca 0.49 -1.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.05 1uey s ILE 52 Cb -0.10 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.72 1uey s ILE 52 CO 0.32 -0.66 0.43 -1.61 0.00 0.00 0.00 174.94 173.42 1uey s GLU 53 N -3.36 1.07 0.08 2.79 2.02 -1.15 -2.51 118.70 117.63 1uey s GLU 53 Ca 0.13 -0.62 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 1uey s GLU 53 Cb 0.00 0.48 -0.01 0.00 0.10 0.00 0.00 34.13 34.70 1uey s GLU 53 CO 0.01 -0.42 0.16 1.52 0.02 0.00 0.00 175.26 176.54 1uey s TYR 54 N -3.59 0.20 0.05 1.61 -0.85 -1.17 -0.52 117.35 113.08 1uey s TYR 54 Ca 0.01 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 55.94 1uey s TYR 54 Cb 0.01 -0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 1uey s TYR 54 CO -0.11 -0.52 -0.08 -1.83 -1.52 0.00 0.00 175.55 171.50 1uey s GLU 55 N -3.84 0.55 -0.45 -3.49 4.04 -1.20 -1.08 118.70 113.24 1uey s GLU 55 Ca 0.05 -0.78 -0.15 0.00 0.04 0.00 0.00 54.97 54.12 1uey s GLU 55 Cb 0.05 -0.33 0.05 0.00 0.02 0.00 0.00 34.13 33.93 1uey s GLU 55 CO -0.11 0.06 0.37 0.34 -1.84 0.00 0.00 175.26 174.08 1uey s ASP 56 N -1.62 6.14 0.24 0.83 -1.08 -1.23 -0.95 116.67 118.99 1uey s ASP 56 Ca -0.09 -1.15 0.25 0.00 -0.52 0.00 0.00 52.55 51.05 1uey s ASP 56 Cb -0.10 -2.18 0.70 0.00 -1.46 0.00 0.00 42.92 39.88 1uey s ASP 56 CO 0.00 -0.58 1.71 0.00 0.52 0.00 0.00 175.17 176.82 1uey h ALA 57 N 8.72 0.96 0.00 3.66 0.00 -1.62 0.14 119.26 131.12 1uey h ALA 57 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uey h ALA 57 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1uey h ALA 57 CO 0.83 0.00 -0.50 1.98 0.00 0.00 0.00 179.25 181.56 1uey h MET 58 N 0.00 0.00 0.00 0.00 1.85 -1.89 -3.41 114.93 111.48 1uey h MET 58 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1uey h MET 58 Cb 0.78 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.81 1uey h MET 58 CO 0.00 0.00 0.00 0.72 -0.40 0.00 0.00 176.91 177.23 1uey n HIS 59 N -2.40 0.00 -3.81 1.39 8.25 -1.15 -5.01 115.22 112.49 1uey n HIS 59 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.19 1uey n HIS 59 Cb 0.47 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.50 1.04 0.15 -0.41 1.02 0.38 -5.07 119.74 116.34 1uey s LYS 60 Ca 0.00 -1.47 -0.30 0.00 0.02 0.00 0.00 55.97 54.22 1uey s LYS 60 Cb 0.00 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.84 1uey s LYS 60 CO 0.00 -1.01 1.13 -1.25 -0.92 0.00 0.00 175.35 173.30 1uey s PRO 61 N 1.18 4.54 0.00 -1.68 0.04 -0.46 -3.04 135.00 135.58 1uey s PRO 61 Ca 0.12 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1uey s PRO 61 Cb -0.19 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1uey s PRO 61 CO -0.16 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1uey n GLY 62 N 2.36 3.00 3.63 0.56 0.00 -1.26 -5.01 105.19 108.46 1uey n GLY 62 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 3.90 -0.11 0.99 0.20 -1.17 -5.01 118.68 117.49 1uey s LEU 63 Ca 0.00 1.09 -0.04 0.00 0.69 0.00 0.00 54.13 55.87 1uey s LEU 63 Cb 0.00 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.18 1uey s LEU 63 CO 0.00 -0.97 0.05 0.26 -0.29 0.00 0.00 176.35 175.40 1uey s TRP 64 N 3.96 3.30 0.09 5.38 0.52 -1.26 -3.83 118.94 127.11 1uey s TRP 64 Ca 0.50 0.27 0.10 0.00 0.02 0.00 0.00 56.10 56.99 1uey s TRP 64 Cb -0.14 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1uey s TRP 64 CO 0.19 0.51 -0.25 -1.01 0.02 0.00 0.00 176.95 176.41 1uey s HIS 65 N -0.76 2.14 -0.32 -1.98 3.76 -0.24 -4.92 115.29 112.97 1uey s HIS 65 Ca 0.12 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.36 1uey s HIS 65 Cb -0.12 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.33 1uey s HIS 65 CO 0.03 0.23 1.99 -1.58 -0.85 0.00 0.00 174.74 174.55 1uey s HIS 66 N -0.98 1.52 0.00 1.40 2.46 -1.26 -3.05 115.29 115.39 1uey s HIS 66 Ca 0.11 0.67 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1uey s HIS 66 Cb -0.10 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 1uey s HIS 66 CO 0.04 -3.29 0.00 0.94 -2.47 0.00 0.00 174.74 169.97 1uey n GLN 67 N 8.63 0.00 -3.53 2.88 -0.06 -1.05 -5.01 117.38 119.24 1uey n GLN 67 Ca 0.26 0.13 -0.07 0.00 -2.00 0.00 0.00 57.00 55.32 1uey n GLN 67 Cb 0.47 -0.54 -0.02 0.00 -4.06 0.00 0.00 30.24 26.08 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 -0.37 0.00 0.31 1.69 -1.32 -1.24 -5.01 115.64 109.71 1uey s THR 68 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1uey s THR 68 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1uey s THR 68 CO 0.00 0.00 -0.03 -1.83 -2.21 0.00 0.00 174.62 170.55 1uey s GLU 69 N -2.80 1.65 0.34 7.08 4.04 -1.26 0.06 118.70 127.81 1uey s GLU 69 Ca 0.06 -1.87 0.04 0.00 0.04 0.00 0.00 54.97 53.25 1uey s GLU 69 Cb -0.01 -1.21 -0.02 0.00 0.02 0.00 0.00 34.13 32.91 1uey s GLU 69 CO -0.07 -0.01 0.36 1.33 -1.84 0.00 0.00 175.26 175.03 1uey n VAL 70 N -0.67 0.00 -1.27 1.83 0.24 0.21 -4.93 118.33 113.74 1uey n VAL 70 Ca -0.05 -2.23 -0.29 0.00 -2.04 0.00 0.00 64.34 59.73 1uey n VAL 70 Cb 0.64 1.19 0.18 0.00 -1.47 0.00 0.00 33.84 34.39 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 -3.31 2.46 -0.08 -1.34 0.01 -1.26 0.98 113.70 111.16 1uey s SER 71 Ca 0.37 0.96 0.11 0.00 1.31 0.00 0.00 55.95 58.69 1uey s SER 71 Cb 0.01 -1.48 0.46 0.00 0.21 0.00 0.00 66.02 65.22 1uey s SER 71 CO 0.26 -3.21 1.30 0.61 0.41 0.00 0.00 173.24 172.61 1uey n GLY 72 N -1.46 1.83 0.02 3.44 0.00 0.54 -3.66 105.19 105.90 1uey n GLY 72 Ca 0.07 -0.54 0.03 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 0.60 0.23 -2.92 2.61 -1.04 -1.26 -4.61 114.28 107.90 1uey n THR 73 Ca 0.16 -0.35 -0.18 0.00 -2.04 0.00 0.00 64.05 61.65 1uey n THR 73 Cb 0.63 -0.05 0.02 0.00 -1.82 0.00 0.00 70.33 69.11 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 -2.70 2.75 0.00 -2.82 -2.07 -1.24 -5.03 119.66 108.54 1uey s GLN 74 Ca -0.05 -1.14 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 1uey s GLN 74 Cb 0.07 -2.69 0.00 0.00 -1.09 0.00 0.00 33.01 29.30 1uey s GLN 74 CO 0.51 -0.39 0.73 0.25 -1.32 0.00 0.00 175.29 175.07 1uey n THR 75 N -1.98 0.00 -3.69 3.63 -2.24 -1.26 -4.90 114.28 103.84 1uey n THR 75 Ca 0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1uey n THR 75 Cb 0.59 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.23 0.02 4.28 -4.23 -1.26 -1.72 115.64 112.50 1uey s THR 76 Ca 0.00 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 1uey s THR 76 Cb 0.00 -0.49 -0.01 0.00 1.34 0.00 0.00 72.50 73.34 1uey s THR 76 CO 0.00 0.07 -0.05 0.00 -0.54 0.00 0.00 174.62 174.11 1uey s ALA 77 N 1.82 0.33 0.33 3.99 0.00 -1.06 -4.91 121.76 122.25 1uey s ALA 77 Ca -0.05 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 1uey s ALA 77 Cb -0.11 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 1uey s ALA 77 CO -0.10 -0.02 1.07 -0.65 0.00 0.00 0.00 175.76 176.06 1uey s GLN 78 N -0.91 4.45 -0.06 0.00 -0.21 -1.26 0.21 119.66 121.88 1uey s GLN 78 Ca -0.07 1.67 0.06 0.00 0.02 0.00 0.00 55.36 57.04 1uey s GLN 78 Cb -0.06 -2.93 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 1uey s GLN 78 CO -0.00 0.08 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.50 1uey s LEU 79 N -1.93 2.12 -0.47 2.90 1.43 0.54 -4.89 118.68 118.38 1uey s LEU 79 Ca 0.50 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 1uey s LEU 79 Cb -0.28 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1uey s LEU 79 CO 0.35 0.24 0.75 0.20 0.23 0.00 0.00 176.35 178.12 1uey s ASN 80 N -0.12 6.34 -0.02 2.29 -0.87 -1.26 -1.78 114.94 119.52 1uey s ASN 80 Ca -0.05 -0.35 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 1uey s ASN 80 Cb -0.14 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 1uey s ASN 80 CO 0.04 -0.94 0.02 -0.76 -2.57 0.00 0.00 177.10 172.90 1uey s LEU 81 N 3.18 3.63 0.23 0.60 1.43 -1.26 -5.07 118.68 121.42 1uey s LEU 81 Ca 0.26 0.07 0.10 0.00 -1.03 0.00 0.00 54.13 53.52 1uey s LEU 81 Cb -0.14 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1uey s LEU 81 CO 0.19 0.30 -0.09 -0.44 0.23 0.00 0.00 176.35 176.55 1uey s SER 82 N -1.43 4.18 0.28 2.29 0.01 -1.26 -5.02 113.70 112.75 1uey s SER 82 Ca 0.19 -0.71 -0.29 0.00 1.31 0.00 0.00 55.95 56.44 1uey s SER 82 Cb -0.12 -0.66 -0.09 0.00 0.21 0.00 0.00 66.02 65.36 1uey s SER 82 CO 0.09 0.05 1.08 -2.16 0.41 0.00 0.00 173.24 172.72 1uey s PRO 83 N -3.26 4.66 -0.48 12.44 0.04 -1.26 -4.20 135.00 142.93 1uey s PRO 83 Ca 0.28 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1uey s PRO 83 Cb -0.07 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1uey s PRO 83 CO 0.17 0.24 0.49 0.66 0.04 0.00 0.00 177.00 178.60 1uey n TYR 84 N 1.20 -2.30 0.00 0.56 4.01 -1.12 -5.05 117.16 114.46 1uey n TYR 84 Ca -0.01 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.62 1uey n TYR 84 Cb 0.45 -3.42 0.00 0.00 -0.31 0.00 0.00 39.34 36.06 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 -1.23 0.00 -3.47 -0.72 3.14 -1.26 -5.12 118.33 109.67 1uey n VAL 85 Ca 0.02 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.03 1uey n VAL 85 Cb 0.45 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.17 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 6.80 0.11 6.55 2.47 -1.26 -4.44 114.94 125.16 1uey s ASN 86 Ca 0.00 0.95 -0.26 0.00 0.42 0.00 0.00 52.86 53.96 1uey s ASN 86 Cb 0.00 -2.26 0.08 0.00 -1.45 0.00 0.00 41.25 37.62 1uey s ASN 86 CO 0.00 0.28 0.98 -0.72 -3.72 0.00 0.00 177.10 173.93 1uey s TYR 87 N -0.85 -0.16 0.49 0.43 -0.85 -1.25 -2.04 117.35 113.11 1uey s TYR 87 Ca 0.24 -0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.74 1uey s TYR 87 Cb -0.17 0.61 0.04 0.00 0.38 0.00 0.00 41.96 42.83 1uey s TYR 87 CO 0.13 -0.72 0.37 -1.13 -1.52 0.00 0.00 175.55 172.68 1uey n SER 88 N -0.43 2.57 -3.70 -0.18 3.41 -0.13 -3.88 113.62 111.28 1uey n SER 88 Ca -0.07 -2.69 -0.11 0.00 -0.26 0.00 0.00 58.87 55.74 1uey n SER 88 Cb 0.61 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.40 1uey n SER 88 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1uey s PHE 89 N -2.44 -0.50 0.45 7.33 0.08 -1.26 -3.25 117.98 118.39 1uey s PHE 89 Ca 0.28 1.10 0.03 0.00 0.12 0.00 0.00 56.93 58.46 1uey s PHE 89 Cb -0.02 0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.57 1uey s PHE 89 CO 0.18 -0.31 0.04 -0.98 -0.10 0.00 0.00 175.22 174.05 1uey s ARG 90 N 1.48 2.04 0.01 0.44 1.70 0.32 -1.15 118.95 123.79 1uey s ARG 90 Ca -0.08 -2.25 0.01 0.00 -0.47 0.00 0.00 55.73 52.94 1uey s ARG 90 Cb -0.10 -1.26 -0.01 0.00 -0.57 0.00 0.00 34.95 33.01 1uey s ARG 90 CO -0.11 -0.32 -0.04 0.08 -1.08 0.00 0.00 175.30 173.83 1uey s VAL 91 N -2.97 0.30 0.11 4.99 1.01 -1.26 -2.95 120.40 119.64 1uey s VAL 91 Ca 0.18 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1uey s VAL 91 Cb 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1uey s VAL 91 CO 0.10 -0.12 -0.17 -0.04 0.00 0.00 0.00 175.10 174.87 1uey s MET 92 N -0.63 1.07 -0.01 2.72 -1.94 0.50 -0.93 119.30 120.07 1uey s MET 92 Ca -0.04 -1.19 0.08 0.00 -1.71 0.00 0.00 55.69 52.83 1uey s MET 92 Cb -0.05 -1.12 -0.02 0.00 2.01 0.00 0.00 34.83 35.65 1uey s MET 92 CO -0.00 0.24 -0.25 0.00 -0.01 0.00 0.00 175.02 175.00 1uey s ALA 93 N -1.65 2.10 -0.04 3.03 0.00 -1.26 -0.81 121.76 123.12 1uey s ALA 93 Ca 0.07 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1uey s ALA 93 Cb -0.08 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1uey s ALA 93 CO 0.04 0.51 -0.02 0.08 0.00 0.00 0.00 175.76 176.37 1uey s VAL 94 N -0.63 0.36 0.00 0.00 1.01 -0.80 -0.78 120.40 119.56 1uey s VAL 94 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1uey s VAL 94 Cb -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1uey s VAL 94 CO -0.00 0.19 0.00 -0.46 0.00 0.00 0.00 175.10 174.83 1uey n ASN 95 N 4.13 1.28 -0.32 3.32 0.23 -0.65 -2.06 115.26 121.19 1uey n ASN 95 Ca -0.25 -0.88 0.14 0.00 -0.53 0.00 0.00 54.58 53.06 1uey n ASN 95 Cb 0.51 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.53 0.00 0.53 0.02 -1.91 -3.05 113.55 109.67 1uey h SER 96 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 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 0.10 0.00 -0.38 -1.14 0.00 0.00 176.83 175.41 1uey n ILE 97 N -4.93 0.00 -1.71 3.27 2.08 -1.26 -5.04 119.36 111.76 1uey n ILE 97 Ca 0.23 0.82 0.00 0.00 0.56 0.00 0.00 62.75 64.36 1uey n ILE 97 Cb 0.65 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 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 -0.32 2.68 3.80 7.39 0.00 -1.15 -5.02 105.19 112.56 1uey n GLY 98 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 1.51 3.84 0.85 1.61 2.20 -1.26 -1.63 119.74 126.85 1uey s LYS 99 Ca 0.00 -0.18 -0.10 0.00 -0.36 0.00 0.00 55.97 55.34 1uey s LYS 99 Cb 0.00 -3.31 0.15 0.00 -1.51 0.00 0.00 37.83 33.16 1uey s LYS 99 CO 0.00 0.53 1.17 -1.54 -0.36 0.00 0.00 175.35 175.15 1uey s SER 100 N -0.29 3.77 0.84 1.43 1.04 0.04 -4.98 113.70 115.55 1uey s SER 100 Ca 0.11 0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.55 1uey s SER 100 Cb -0.11 -0.35 0.10 0.00 0.10 0.00 0.00 66.02 65.76 1uey s SER 100 CO 0.01 -2.28 1.12 -0.76 0.98 0.00 0.00 173.24 172.30 1uey s LEU 101 N -5.56 2.93 0.17 2.42 2.01 -1.26 -4.66 118.68 114.73 1uey s LEU 101 Ca 0.69 1.99 -0.30 0.00 0.01 0.00 0.00 54.13 56.52 1uey s LEU 101 Cb -0.05 -4.53 -0.08 0.00 0.01 0.00 0.00 46.19 41.54 1uey s LEU 101 CO 0.49 -2.55 1.12 -2.16 1.01 0.00 0.00 176.35 174.26 1uey s PRO 102 N -4.79 4.56 0.54 1.29 0.04 -1.26 -4.65 135.00 130.74 1uey s PRO 102 Ca 0.64 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 1uey s PRO 102 Cb -0.20 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 30.96 1uey s PRO 102 CO 0.57 0.02 0.29 -1.13 0.04 0.00 0.00 177.00 176.79 1uey n SER 103 N 2.49 -1.99 0.00 6.66 3.41 -0.11 -4.85 113.62 119.23 1uey n SER 103 Ca 0.03 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1uey n SER 103 Cb 0.46 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 0.51 0.00 0.00 4.33 1.02 -1.26 -4.67 120.64 120.57 1uey n GLU 104 Ca 0.10 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1uey n GLU 104 Cb 0.47 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 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 -2.03 0.00 -1.07 0.62 0.00 -1.26 -4.99 120.51 111.78 1uey n ALA 105 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1uey n ALA 105 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1uey n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1uey s SER 106 N 0.00 3.63 0.70 0.00 1.04 -0.30 -4.94 113.70 113.83 1uey s SER 106 Ca 0.00 1.79 -0.17 0.00 0.48 0.00 0.00 55.95 58.05 1uey s SER 106 Cb 0.00 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.62 1uey s SER 106 CO 0.00 -2.58 0.23 -1.84 0.98 0.00 0.00 173.24 170.03 1uey n GLU 107 N -3.87 0.21 -2.28 4.02 0.28 -1.26 -4.47 120.64 113.27 1uey n GLU 107 Ca 0.09 0.10 -0.37 0.00 -0.16 0.00 0.00 57.16 56.81 1uey n GLU 107 Cb 0.53 -1.55 -0.03 0.00 1.43 0.00 0.00 31.44 31.82 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 -2.25 2.94 -0.41 3.44 -0.21 -1.26 -4.66 119.66 117.25 1uey s GLN 108 Ca 0.61 -0.13 -0.20 0.00 0.02 0.00 0.00 55.36 55.65 1uey s GLN 108 Cb -0.37 -4.65 0.02 0.00 1.00 0.00 0.00 33.01 29.00 1uey s GLN 108 CO 0.62 -2.62 0.62 -0.47 -2.12 0.00 0.00 175.29 171.32 1uey s TYR 109 N 7.63 3.10 -0.10 0.91 6.14 -1.25 -4.69 117.35 129.08 1uey s TYR 109 Ca 0.55 0.05 0.01 0.00 0.64 0.00 0.00 57.07 58.32 1uey s TYR 109 Cb -0.08 -3.23 -0.02 0.00 0.42 0.00 0.00 41.96 39.05 1uey s TYR 109 CO 0.09 -0.77 -0.12 -1.17 0.64 0.00 0.00 175.55 174.23 1uey s LEU 110 N 2.71 2.83 1.06 6.97 2.96 -1.26 -4.29 118.68 129.66 1uey s LEU 110 Ca 0.22 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 1uey s LEU 110 Cb -0.14 -1.62 0.25 0.00 0.50 0.00 0.00 46.19 45.17 1uey s LEU 110 CO 0.17 0.24 1.29 0.42 -1.32 0.00 0.00 176.35 177.16 1uey s THR 111 N -0.09 1.87 0.64 3.68 -4.23 -1.26 -4.70 115.64 111.55 1uey s THR 111 Ca -0.01 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.34 1uey s THR 111 Cb -0.14 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 1uey s THR 111 CO 0.03 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.67 1uey s LYS 112 N -5.85 2.97 -0.39 3.99 1.02 -1.26 -4.72 119.74 115.51 1uey s LYS 112 Ca 0.76 1.34 0.01 0.00 0.02 0.00 0.00 55.97 58.10 1uey s LYS 112 Cb -0.04 -1.98 0.27 0.00 -0.52 0.00 0.00 37.83 35.57 1uey s LYS 112 CO 0.54 -1.11 1.13 0.00 -0.92 0.00 0.00 175.35 175.00 1uey n ALA 113 N -2.27 -2.70 -4.38 5.17 0.00 -1.26 -2.79 120.51 112.29 1uey n ALA 113 Ca 0.10 -0.73 -0.36 0.00 0.00 0.00 0.00 53.44 52.45 1uey n ALA 113 Cb 0.52 -2.51 -0.08 0.00 0.00 0.00 0.00 19.45 17.39 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 1.42 -0.79 -3.65 0.00 2.88 -1.26 -4.88 113.62 107.34 1uey n SER 114 Ca 0.03 -1.21 -0.01 0.00 -1.33 0.00 0.00 58.87 56.35 1uey n SER 114 Cb 0.69 -1.85 -0.06 0.00 -0.75 0.00 0.00 64.21 62.24 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 -7.21 0.21 0.00 -1.46 2.12 -1.26 -5.18 118.70 105.92 1uey s GLU 115 Ca 0.44 0.34 0.00 0.00 0.36 0.00 0.00 54.97 56.10 1uey s GLU 115 Cb -0.25 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.20 1uey s GLU 115 CO 1.00 -0.04 0.00 -0.35 -0.54 0.00 0.00 175.26 175.33 1uey n PRO 116 N 2.99 -0.39 -0.31 4.30 -0.04 -1.26 -4.88 135.00 135.43 1uey n PRO 116 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1uey n PRO 116 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -2.77 -1.75 -4.14 3.54 2.03 -1.26 -4.79 116.55 107.40 1uey n ASP 117 Ca 0.00 0.35 -0.40 0.00 0.52 0.00 0.00 54.79 55.26 1uey n ASP 117 Cb 0.00 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 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 -1.62 3.18 -1.05 -0.67 4.76 -1.26 -4.94 118.16 116.56 1uey n LYS 118 Ca 0.00 -4.49 0.00 0.00 -2.87 0.00 0.00 58.31 50.95 1uey n LYS 118 Cb 0.08 -2.46 0.00 0.00 -1.84 0.00 0.00 35.03 30.81 1uey n LYS 118 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1uey n ASN 119 N 2.24 -6.16 -4.82 4.39 2.85 -1.26 -4.78 115.26 107.72 1uey n ASN 119 Ca 0.24 0.78 -0.32 0.00 -0.11 0.00 0.00 54.58 55.17 1uey n ASN 119 Cb 0.37 -2.51 0.04 0.00 1.24 0.00 0.00 39.78 38.91 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 -3.36 3.09 -0.09 1.20 0.04 -1.26 -5.06 135.00 129.57 1uey s PRO 120 Ca 0.00 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1uey s PRO 120 Cb 0.00 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1uey s PRO 120 CO 0.00 -0.98 -0.04 0.99 0.04 0.00 0.00 177.00 177.01 1uey s THR 121 N -2.86 3.93 -0.12 1.26 2.01 -1.26 -5.10 115.64 113.50 1uey s THR 121 Ca 0.60 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1uey s THR 121 Cb -0.14 -2.64 0.12 0.00 0.01 0.00 0.00 72.50 69.84 1uey s THR 121 CO 0.49 0.58 0.98 -0.55 -0.69 0.00 0.00 174.62 175.44 1uey s SER 122 N -0.61 -0.35 0.00 3.53 0.15 -1.26 -5.17 113.70 109.99 1uey s SER 122 Ca 0.10 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1uey s SER 122 Cb -0.12 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1uey s SER 122 CO 0.02 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1uey n GLY 123 N 0.41 2.31 3.79 9.45 0.00 -1.26 -5.03 105.19 114.86 1uey n GLY 123 Ca -0.09 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.58 4.04 -0.04 1.61 0.04 -1.26 -5.06 135.00 130.75 1uey s PRO 124 Ca 0.00 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.53 1uey s PRO 124 Cb 0.00 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.15 1uey s PRO 124 CO 0.00 -0.25 -0.08 -1.54 0.04 0.00 0.00 177.00 175.17 1uey s SER 125 N -1.69 1.22 -0.11 6.66 1.04 -1.26 -5.06 113.70 114.51 1uey s SER 125 Ca 0.61 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.80 1uey s SER 125 Cb -0.20 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 1uey s SER 125 CO 0.25 0.04 -0.09 -1.28 0.98 0.00 0.00 173.24 173.14 1uey h SER 126 N 6.63 0.00 -0.00 7.02 0.87 -2.06 -3.56 113.55 122.44 1uey h SER 126 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1uey h SER 126 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1uey h SER 126 CO 0.48 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.96