#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uy2 n PRO 15 N 0.00 2.26 0.25 1.43 -0.02 -1.26 -4.91 135.00 132.74 1uy2 n PRO 15 Ca 0.00 0.80 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 1uy2 n PRO 15 Cb 0.00 -2.63 0.54 0.00 -0.02 0.00 0.00 33.50 31.39 1uy2 n PRO 15 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1uy2 h ILE 16 N 2.31 0.28 -3.42 4.25 6.09 -1.98 -3.44 117.51 121.61 1uy2 h ILE 16 Ca -0.51 -0.85 -0.04 0.00 -1.37 0.00 0.00 64.86 62.09 1uy2 h ILE 16 Cb 1.27 1.67 -0.11 0.00 0.47 0.00 0.00 36.82 40.11 1uy2 h ILE 16 CO 0.61 0.11 -0.06 0.00 -3.07 0.00 0.00 178.15 175.75 1uy2 s ARG 17 N -3.63 1.23 0.16 2.19 1.70 -1.26 -4.19 118.95 115.15 1uy2 s ARG 17 Ca 0.01 -0.85 -0.23 0.00 -0.47 0.00 0.00 55.73 54.19 1uy2 s ARG 17 Cb 0.09 0.48 0.07 0.00 -0.57 0.00 0.00 34.95 35.02 1uy2 s ARG 17 CO 0.60 -0.50 0.60 1.03 -1.08 0.00 0.00 175.30 175.95 1uy2 s ARG 18 N -3.86 1.29 -0.10 3.89 0.52 -0.76 -5.01 118.95 114.92 1uy2 s ARG 18 Ca 0.08 -0.48 -0.16 0.00 -0.52 0.00 0.00 55.73 54.65 1uy2 s ARG 18 Cb 0.01 0.59 -0.05 0.00 0.52 0.00 0.00 34.95 36.02 1uy2 s ARG 18 CO -0.06 -0.56 0.39 0.34 0.02 0.00 0.00 175.30 175.43 1uy2 s ASP 19 N -2.75 6.64 0.48 0.23 -1.08 -1.26 -0.19 116.67 118.74 1uy2 s ASP 19 Ca 0.01 0.76 0.22 0.00 -0.52 0.00 0.00 52.55 53.02 1uy2 s ASP 19 Cb -0.01 -2.24 1.22 0.00 -1.46 0.00 0.00 42.92 40.43 1uy2 s ASP 19 CO -0.13 0.13 2.01 0.00 0.52 0.00 0.00 175.17 177.70 1uy2 h ALA 20 N 6.11 1.37 -0.88 3.66 0.00 -1.58 -3.14 119.26 124.79 1uy2 h ALA 20 Ca -0.44 -0.16 -0.54 0.00 0.00 0.00 0.00 54.91 53.77 1uy2 h ALA 20 Cb 1.19 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 1uy2 h ALA 20 CO 0.71 0.22 0.49 1.19 0.00 0.00 0.00 179.25 181.86 1uy2 n PHE 21 N -3.84 2.82 -3.95 0.00 3.72 -1.26 -1.45 117.46 113.50 1uy2 n PHE 21 Ca -0.02 -2.35 -0.09 0.00 -0.05 0.00 0.00 57.45 54.94 1uy2 n PHE 21 Cb 0.27 -1.03 -0.10 0.00 -0.94 0.00 0.00 39.48 37.68 1uy2 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uy2 s SER 22 N -1.95 0.21 0.17 4.37 0.15 -1.19 -5.01 113.70 110.46 1uy2 s SER 22 Ca 0.58 -0.56 -0.33 0.00 0.70 0.00 0.00 55.95 56.33 1uy2 s SER 22 Cb 0.47 0.20 -0.15 0.00 -1.71 0.00 0.00 66.02 64.84 1uy2 s SER 22 CO 0.04 -0.48 1.37 -0.38 1.20 0.00 0.00 173.24 174.99 1uy2 n ILE 23 N 0.87 0.53 -4.28 6.45 2.08 -1.26 -4.78 119.36 118.96 1uy2 n ILE 23 Ca -0.19 -0.13 -0.34 0.00 0.56 0.00 0.00 62.75 62.64 1uy2 n ILE 23 Cb 0.58 -1.20 -0.14 0.00 -0.75 0.00 0.00 39.64 38.13 1uy2 n ILE 23 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1uy2 s ILE 24 N 0.24 3.21 -0.13 1.39 1.01 -0.05 -5.00 121.20 121.89 1uy2 s ILE 24 Ca 0.75 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 1uy2 s ILE 24 Cb -0.77 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1uy2 s ILE 24 CO 0.47 0.47 0.91 -1.61 0.00 0.00 0.00 174.94 175.18 1uy2 s GLU 25 N 0.95 4.37 0.38 2.79 0.41 -1.26 -1.39 118.70 124.95 1uy2 s GLU 25 Ca -0.01 1.19 0.04 0.00 -0.41 0.00 0.00 54.97 55.78 1uy2 s GLU 25 Cb -0.15 -3.55 0.73 0.00 -1.78 0.00 0.00 34.13 29.39 1uy2 s GLU 25 CO -0.00 -0.28 2.03 0.00 -0.49 0.00 0.00 175.26 176.51 1uy2 h ALA 26 N 7.16 1.62 0.00 5.21 0.00 -1.59 -1.64 119.26 130.02 1uy2 h ALA 26 Ca -0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1uy2 h ALA 26 Cb 1.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1uy2 h ALA 26 CO 0.84 0.34 0.00 -0.85 0.00 0.00 0.00 179.25 179.58 1uy2 n GLU 27 N -4.46 0.20 -1.80 0.00 0.00 -1.26 -3.38 120.64 109.94 1uy2 n GLU 27 Ca 0.05 0.46 -0.35 0.00 0.00 0.00 0.00 57.16 57.32 1uy2 n GLU 27 Cb 0.06 -1.90 -0.00 0.00 0.00 0.00 0.00 31.44 29.60 1uy2 n GLU 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1uy2 n GLU 28 N -2.28 2.87 -2.32 3.44 1.02 -0.62 -4.99 120.64 117.76 1uy2 n GLU 28 Ca 0.02 -3.13 -0.27 0.00 -0.02 0.00 0.00 57.16 53.76 1uy2 n GLU 28 Cb 0.21 -2.25 0.03 0.00 -0.02 0.00 0.00 31.44 29.41 1uy2 n GLU 28 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1uy2 s TYR 29 N -3.03 3.28 -0.18 -0.32 -0.85 -1.22 -4.60 117.35 110.43 1uy2 s TYR 29 Ca 0.54 0.72 0.13 0.00 -0.52 0.00 0.00 57.07 57.93 1uy2 s TYR 29 Cb 0.39 -2.78 -0.20 0.00 0.38 0.00 0.00 41.96 39.75 1uy2 s TYR 29 CO -0.31 -0.87 0.01 0.09 -1.52 0.00 0.00 175.55 172.96 1uy2 n ASN 30 N -2.64 1.08 -3.49 -0.18 4.13 0.85 -4.68 115.26 110.33 1uy2 n ASN 30 Ca 0.05 -0.02 -0.12 0.00 1.68 0.00 0.00 54.58 56.16 1uy2 n ASN 30 Cb 0.57 0.68 -0.03 0.00 -1.54 0.00 0.00 39.78 39.46 1uy2 n ASN 30 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1uy2 s SER 31 N -5.30 -0.49 0.02 6.41 1.04 -1.10 -5.01 113.70 109.27 1uy2 s SER 31 Ca -0.13 -0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 1uy2 s SER 31 Cb 0.06 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1uy2 s SER 31 CO 0.66 -0.90 0.32 0.28 0.98 0.00 0.00 173.24 174.58 1uy2 s THR 32 N -3.47 0.07 -1.57 2.02 -1.32 -1.26 -0.94 115.64 109.17 1uy2 s THR 32 Ca -0.00 -0.58 0.29 0.00 -1.21 0.00 0.00 61.69 60.19 1uy2 s THR 32 Cb -0.00 -0.83 0.45 0.00 -1.51 0.00 0.00 72.50 70.61 1uy2 s THR 32 CO -0.10 -0.32 1.89 -0.46 -2.21 0.00 0.00 174.62 173.41 1uy2 n ASN 33 N 0.82 0.37 -4.73 8.08 6.94 -1.10 -4.96 115.26 120.67 1uy2 n ASN 33 Ca -0.20 -0.46 -0.41 0.00 -0.02 0.00 0.00 54.58 53.49 1uy2 n ASN 33 Cb 0.58 -0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 37.84 1uy2 n ASN 33 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1uy2 s SER 34 N -2.52 7.45 0.00 0.53 0.15 -1.26 -4.95 113.70 113.11 1uy2 s SER 34 Ca 0.28 1.74 0.25 0.00 0.70 0.00 0.00 55.95 58.92 1uy2 s SER 34 Cb 0.20 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.44 1uy2 s SER 34 CO 0.48 -0.05 1.42 -1.20 1.20 0.00 0.00 173.24 175.10 1uy2 n SER 35 N 2.75 2.13 -0.01 5.45 7.64 -1.26 -4.37 113.62 125.95 1uy2 n SER 35 Ca 0.01 -1.63 -0.00 0.00 1.01 0.00 0.00 58.87 58.26 1uy2 n SER 35 Cb 0.49 0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 1uy2 n SER 35 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1uy2 n THR 36 N 0.51 0.08 -1.67 0.44 -2.24 -1.26 -5.06 114.28 105.08 1uy2 n THR 36 Ca 0.15 -0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.42 1uy2 n THR 36 Cb 0.47 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 1uy2 n THR 36 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1uy2 n LEU 37 N -1.91 3.12 -4.23 3.22 0.00 -1.15 -4.71 117.00 111.34 1uy2 n LEU 37 Ca -0.02 1.15 -0.19 0.00 0.00 0.00 0.00 56.01 56.95 1uy2 n LEU 37 Cb 0.40 -1.43 -0.12 0.00 0.00 0.00 0.00 43.42 42.28 1uy2 n LEU 37 CO 0.04 -0.52 -0.46 -1.10 0.00 0.00 0.00 177.39 175.35 1uy2 s GLN 38 N -0.62 0.99 -0.07 1.96 -0.21 -0.53 -4.99 119.66 116.19 1uy2 s GLN 38 Ca 0.66 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 54.59 1uy2 s GLN 38 Cb -0.64 -0.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.38 1uy2 s GLN 38 CO 0.51 0.20 1.11 0.08 -2.12 0.00 0.00 175.29 175.07 1uy2 s VAL 39 N -1.77 4.50 0.30 1.09 1.01 -1.26 -1.19 120.40 123.07 1uy2 s VAL 39 Ca 0.06 1.79 0.10 0.00 0.00 0.00 0.00 61.98 63.93 1uy2 s VAL 39 Cb -0.07 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1uy2 s VAL 39 CO 0.03 0.02 -0.06 0.27 0.00 0.00 0.00 175.10 175.35 1uy2 s ILE 40 N 2.00 2.86 0.37 2.22 -4.36 -0.10 -4.92 121.20 119.26 1uy2 s ILE 40 Ca 0.53 -2.09 -0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1uy2 s ILE 40 Cb -0.22 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1uy2 s ILE 40 CO 0.21 -0.32 0.64 -0.83 0.24 0.00 0.00 174.94 174.87 1uy2 s GLY 41 N -3.63 1.61 0.33 6.27 0.00 -1.26 -0.82 107.32 109.81 1uy2 s GLY 41 Ca 0.32 -0.61 0.10 0.00 0.00 0.00 0.00 44.72 44.52 1uy2 s GLY 41 CO 0.18 -0.50 -0.06 -0.51 0.00 0.00 0.00 173.10 172.22 1uy2 s THR 42 N -2.36 2.53 0.54 0.90 -4.23 -0.67 -4.79 115.64 107.56 1uy2 s THR 42 Ca 0.44 -2.11 0.28 0.00 -1.18 0.00 0.00 61.69 59.13 1uy2 s THR 42 Cb -0.10 -2.67 0.43 0.00 1.34 0.00 0.00 72.50 71.50 1uy2 s THR 42 CO 0.36 -0.24 1.94 -0.65 -0.54 0.00 0.00 174.62 175.49 1uy2 h PRO 43 N 1.96 0.00 -0.76 3.99 0.11 -1.89 -1.47 132.00 133.93 1uy2 h PRO 43 Ca -0.42 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.39 1uy2 h PRO 43 Cb 1.25 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.19 1uy2 h PRO 43 CO 0.67 0.00 0.34 0.09 -0.21 0.00 0.00 178.00 178.89 1uy2 n ASN 44 N -4.25 4.24 -2.56 -2.05 3.02 -1.26 -4.89 115.26 107.52 1uy2 n ASN 44 Ca 0.13 -3.39 -0.20 0.00 -0.03 0.00 0.00 54.58 51.10 1uy2 n ASN 44 Cb 0.76 -0.76 0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1uy2 n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uy2 n ASN 45 N -0.57 -5.65 -2.84 6.41 3.02 -0.55 -5.01 115.26 110.06 1uy2 n ASN 45 Ca 0.45 -0.18 -0.09 0.00 -0.03 0.00 0.00 54.58 54.73 1uy2 n ASN 45 Cb 1.42 -4.55 0.06 0.00 -0.61 0.00 0.00 39.78 36.10 1uy2 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uy2 n GLY 46 N -1.31 -0.05 3.36 7.41 0.00 -1.25 -4.89 105.19 108.46 1uy2 n GLY 46 Ca -0.14 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 1uy2 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uy2 s ARG 47 N -3.65 1.39 0.00 1.61 0.52 -1.26 -1.67 118.95 115.89 1uy2 s ARG 47 Ca 0.26 -1.69 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 1uy2 s ARG 47 Cb -0.01 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.60 1uy2 s ARG 47 CO 0.17 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1uy2 n GLY 48 N -0.46 2.23 3.41 -3.53 0.00 0.00 -4.61 105.19 102.24 1uy2 n GLY 48 Ca -0.06 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 1uy2 n GLY 48 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uy2 s ILE 49 N -2.90 2.60 0.00 -0.61 -4.36 -0.01 -0.93 121.20 114.99 1uy2 s ILE 49 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 1uy2 s ILE 49 Cb 0.00 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.69 1uy2 s ILE 49 CO 0.00 0.46 0.00 0.61 0.24 0.00 0.00 174.94 176.25 1uy2 n GLY 50 N 1.96 3.95 3.98 6.27 0.00 -0.34 -1.27 105.19 119.75 1uy2 n GLY 50 Ca -0.16 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1uy2 n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uy2 n TYR 51 N 0.00 -2.01 -3.18 1.61 4.02 -1.26 -1.45 117.16 114.88 1uy2 n TYR 51 Ca 0.00 0.81 -0.38 0.00 -0.01 0.00 0.00 57.90 58.32 1uy2 n TYR 51 Cb 0.00 -3.43 -0.06 0.00 -0.02 0.00 0.00 39.34 35.83 1uy2 n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uy2 s ILE 52 N -3.24 4.63 0.27 -0.72 1.01 -1.26 -2.91 121.20 118.97 1uy2 s ILE 52 Ca 0.67 1.31 0.12 0.00 0.00 0.00 0.00 60.65 62.75 1uy2 s ILE 52 Cb -0.35 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1uy2 s ILE 52 CO 0.83 0.46 -0.20 -1.61 0.00 0.00 0.00 174.94 174.41 1uy2 s GLU 53 N -1.36 1.66 0.13 2.79 2.02 -1.26 -3.41 118.70 119.27 1uy2 s GLU 53 Ca 0.34 -1.75 -0.35 0.00 0.02 0.00 0.00 54.97 53.23 1uy2 s GLU 53 Cb -0.19 -1.75 -0.16 0.00 0.10 0.00 0.00 34.13 32.13 1uy2 s GLU 53 CO 0.21 0.33 1.32 -1.71 0.02 0.00 0.00 175.26 175.43 1uy2 n ASN 54 N -0.56 1.77 0.00 -0.19 5.15 -1.26 -1.26 115.26 118.91 1uy2 n ASN 54 Ca -0.06 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 1uy2 n ASN 54 Cb 0.60 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 1uy2 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uy2 n GLY 55 N 2.46 1.79 3.77 8.20 0.00 0.31 -4.93 105.19 116.79 1uy2 n GLY 55 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1uy2 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uy2 s ASN 56 N -2.74 6.62 0.07 1.61 0.02 -0.39 -4.80 114.94 115.33 1uy2 s ASN 56 Ca 0.00 2.81 0.09 0.00 -1.02 0.00 0.00 52.86 54.73 1uy2 s ASN 56 Cb 0.00 -2.66 -0.03 0.00 0.02 0.00 0.00 41.25 38.58 1uy2 s ASN 56 CO 0.00 -0.65 -0.24 0.42 0.02 0.00 0.00 177.10 176.65 1uy2 s THR 57 N -1.14 1.96 -0.05 1.60 -4.23 -1.26 -1.08 115.64 111.45 1uy2 s THR 57 Ca 0.50 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1uy2 s THR 57 Cb -0.42 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 71.74 1uy2 s THR 57 CO 0.56 0.22 -0.02 -0.69 -0.54 0.00 0.00 174.62 174.16 1uy2 s VAL 58 N -0.88 0.37 -0.08 2.29 1.01 -0.30 -2.71 120.40 120.10 1uy2 s VAL 58 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1uy2 s VAL 58 Cb -0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1uy2 s VAL 58 CO 0.03 0.21 -0.04 -0.89 0.00 0.00 0.00 175.10 174.40 1uy2 s THR 59 N 1.22 3.95 -0.11 3.92 2.01 -0.11 -0.41 115.64 126.10 1uy2 s THR 59 Ca -0.07 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1uy2 s THR 59 Cb -0.14 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1uy2 s THR 59 CO -0.02 0.60 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.08 1uy2 s TYR 60 N -0.83 1.79 0.09 4.92 1.51 0.44 -0.11 117.35 125.16 1uy2 s TYR 60 Ca 0.13 -0.87 -0.22 0.00 -1.01 0.00 0.00 57.07 55.10 1uy2 s TYR 60 Cb -0.11 -1.35 -0.07 0.00 -0.11 0.00 0.00 41.96 40.33 1uy2 s TYR 60 CO 0.02 -0.49 0.65 -1.12 -1.11 0.00 0.00 175.55 173.50 1uy2 s SER 61 N 1.24 7.17 -1.15 2.29 0.01 -1.26 -0.43 113.70 121.56 1uy2 s SER 61 Ca -0.02 1.39 -0.12 0.00 1.31 0.00 0.00 55.95 58.50 1uy2 s SER 61 Cb -0.14 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1uy2 s SER 61 CO -0.04 0.22 0.80 0.59 0.41 0.00 0.00 173.24 175.22 1uy2 n ASN 62 N 1.87 -4.76 -4.70 2.44 3.02 -1.25 -4.17 115.26 107.72 1uy2 n ASN 62 Ca -0.08 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 1uy2 n ASN 62 Cb 0.50 -4.02 -0.04 0.00 -0.61 0.00 0.00 39.78 35.61 1uy2 n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1uy2 s ILE 63 N -3.49 4.95 -0.41 2.41 -1.09 -0.16 -1.83 121.20 121.58 1uy2 s ILE 63 Ca 0.37 1.63 -0.18 0.00 -2.23 0.00 0.00 60.65 60.24 1uy2 s ILE 63 Cb -0.10 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.66 1uy2 s ILE 63 CO 0.82 0.14 0.46 -0.62 -1.23 0.00 0.00 174.94 174.51 1uy2 s ASP 64 N 0.99 6.22 0.00 3.58 -1.08 0.74 -1.00 116.67 126.12 1uy2 s ASP 64 Ca 0.40 -0.54 0.28 0.00 -0.52 0.00 0.00 52.55 52.18 1uy2 s ASP 64 Cb -0.18 -2.24 1.10 0.00 -1.46 0.00 0.00 42.92 40.14 1uy2 s ASP 64 CO 0.17 -0.57 1.77 0.49 0.52 0.00 0.00 175.17 177.55 1uy2 n PHE 65 N 5.68 0.00 0.00 -5.34 3.01 0.20 -1.43 117.46 119.57 1uy2 n PHE 65 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1uy2 n PHE 65 Cb 0.48 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1uy2 n PHE 65 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uy2 n GLY 66 N 1.19 3.09 0.25 1.37 0.00 -1.26 -1.04 105.19 108.79 1uy2 n GLY 66 Ca 0.18 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1uy2 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uy2 n SER 67 N 3.06 0.78 0.00 1.61 3.41 -1.26 -1.43 113.62 119.79 1uy2 n SER 67 Ca 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1uy2 n SER 67 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1uy2 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy2 n GLY 68 N 1.05 4.33 3.24 5.00 0.00 -0.21 -4.87 105.19 113.72 1uy2 n GLY 68 Ca 0.19 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1uy2 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uy2 s ALA 69 N -0.44 1.83 0.00 4.61 0.00 -0.55 -2.39 121.76 124.81 1uy2 s ALA 69 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1uy2 s ALA 69 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1uy2 s ALA 69 CO 0.00 0.44 0.76 0.25 0.00 0.00 0.00 175.76 177.21 1uy2 n THR 70 N 2.60 0.55 -3.92 0.00 -2.24 0.01 -2.17 114.28 109.11 1uy2 n THR 70 Ca -0.16 -0.56 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 1uy2 n THR 70 Cb 0.52 0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 69.42 1uy2 n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uy2 s GLY 71 N -0.55 0.17 -0.02 3.38 0.00 -1.05 -1.18 107.32 108.08 1uy2 s GLY 71 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1uy2 s GLY 71 CO 0.00 -0.82 -0.06 -0.12 0.00 0.00 0.00 173.10 172.09 1uy2 s PHE 72 N -3.37 0.68 -0.03 1.90 5.36 -0.52 -1.02 117.98 120.98 1uy2 s PHE 72 Ca 0.01 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 1uy2 s PHE 72 Cb 0.03 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.22 1uy2 s PHE 72 CO -0.08 -0.07 -0.09 -1.12 -1.46 0.00 0.00 175.22 172.39 1uy2 s SER 73 N 0.20 1.27 0.06 6.13 0.01 -0.12 -0.48 113.70 120.77 1uy2 s SER 73 Ca -0.02 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1uy2 s SER 73 Cb -0.07 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1uy2 s SER 73 CO -0.00 0.06 -0.10 0.00 0.41 0.00 0.00 173.24 173.61 1uy2 s ALA 74 N 0.23 0.81 -0.30 1.44 0.00 -0.21 -0.89 121.76 122.83 1uy2 s ALA 74 Ca -0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 1uy2 s ALA 74 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1uy2 s ALA 74 CO 0.01 0.03 0.14 0.99 0.00 0.00 0.00 175.76 176.94 1uy2 s THR 75 N -1.45 4.61 0.06 0.00 2.01 -0.33 -1.02 115.64 119.53 1uy2 s THR 75 Ca -0.06 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 1uy2 s THR 75 Cb -0.09 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1uy2 s THR 75 CO 0.01 0.12 -0.04 0.68 -0.69 0.00 0.00 174.62 174.70 1uy2 s VAL 76 N 1.62 0.31 -0.01 3.82 -7.23 -0.56 -0.80 120.40 117.56 1uy2 s VAL 76 Ca 0.05 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1uy2 s VAL 76 Cb -0.17 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.27 1uy2 s VAL 76 CO 0.06 -0.96 -0.01 0.00 -0.31 0.00 0.00 175.10 173.89 1uy2 s ALA 77 N -3.78 0.15 0.05 1.32 0.00 0.15 -0.73 121.76 118.92 1uy2 s ALA 77 Ca 0.07 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 1uy2 s ALA 77 Cb 0.07 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.16 1uy2 s ALA 77 CO -0.09 -0.01 0.68 -0.08 0.00 0.00 0.00 175.76 176.27 1uy2 s THR 78 N 0.29 0.00 -2.21 0.00 -1.32 -1.23 -0.54 115.64 110.63 1uy2 s THR 78 Ca -0.03 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.65 1uy2 s THR 78 Cb -0.04 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.23 1uy2 s THR 78 CO -0.01 0.00 1.24 -0.62 -2.21 0.00 0.00 174.62 173.02 1uy2 n GLU 79 N 0.15 2.10 -4.22 7.08 1.02 -1.26 -0.76 120.64 124.75 1uy2 n GLU 79 Ca -0.16 -1.95 -0.20 0.00 -0.02 0.00 0.00 57.16 54.83 1uy2 n GLU 79 Cb 0.61 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 30.50 1uy2 n GLU 79 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1uy2 s VAL 80 N -1.44 1.24 0.08 2.62 -7.23 -1.26 -4.74 120.40 109.67 1uy2 s VAL 80 Ca 0.29 -1.31 -0.31 0.00 -1.81 0.00 0.00 61.98 58.84 1uy2 s VAL 80 Cb 0.18 -1.17 -0.08 0.00 0.56 0.00 0.00 36.38 35.88 1uy2 s VAL 80 CO 0.26 -0.16 1.53 0.20 -0.31 0.00 0.00 175.10 176.62 1uy2 s ASN 81 N -1.69 6.70 0.26 4.85 0.01 -1.26 -4.19 114.94 119.62 1uy2 s ASN 81 Ca 0.00 2.39 -0.04 0.00 -0.71 0.00 0.00 52.86 54.51 1uy2 s ASN 81 Cb -0.10 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 1uy2 s ASN 81 CO 0.03 -0.79 0.32 0.28 -1.51 0.00 0.00 177.10 175.43 1uy2 s THR 82 N 1.99 0.00 0.03 1.60 -1.32 0.44 -4.99 115.64 113.38 1uy2 s THR 82 Ca 0.69 -1.74 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 1uy2 s THR 82 Cb -0.38 -2.44 -0.02 0.00 -1.51 0.00 0.00 72.50 68.14 1uy2 s THR 82 CO 0.30 0.00 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.73 1uy2 s SER 83 N -3.16 0.47 -0.13 8.08 1.04 -1.26 -0.41 113.70 118.32 1uy2 s SER 83 Ca 0.33 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 1uy2 s SER 83 Cb 0.03 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1uy2 s SER 83 CO 0.15 -0.29 -0.05 -0.63 0.98 0.00 0.00 173.24 173.39 1uy2 s ILE 84 N -1.60 0.98 0.33 -1.02 1.01 0.36 -2.07 121.20 119.19 1uy2 s ILE 84 Ca -0.12 -0.40 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 1uy2 s ILE 84 Cb -0.09 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.19 1uy2 s ILE 84 CO -0.01 0.24 1.01 -1.10 0.00 0.00 0.00 174.94 175.08 1uy2 s GLN 85 N 1.71 4.48 -0.23 2.79 -0.21 -0.08 -0.04 119.66 128.07 1uy2 s GLN 85 Ca 0.03 1.49 -0.03 0.00 0.02 0.00 0.00 55.36 56.88 1uy2 s GLN 85 Cb -0.14 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.06 1uy2 s GLN 85 CO -0.08 0.14 -0.06 0.42 -2.12 0.00 0.00 175.29 173.60 1uy2 s ILE 86 N -1.51 3.06 0.09 1.08 1.09 0.11 -0.97 121.20 124.15 1uy2 s ILE 86 Ca 0.51 -0.78 0.09 0.00 -1.10 0.00 0.00 60.65 59.37 1uy2 s ILE 86 Cb -0.23 -2.46 -0.04 0.00 -1.06 0.00 0.00 42.46 38.67 1uy2 s ILE 86 CO 0.29 0.32 -0.20 -0.13 -0.10 0.00 0.00 174.94 175.12 1uy2 s ARG 87 N 1.39 1.80 0.07 2.79 0.52 -0.12 -0.11 118.95 125.30 1uy2 s ARG 87 Ca 0.03 -1.15 -0.09 0.00 -0.52 0.00 0.00 55.73 54.00 1uy2 s ARG 87 Cb -0.15 -2.09 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 1uy2 s ARG 87 CO -0.05 0.49 0.38 0.45 0.02 0.00 0.00 175.30 176.60 1uy2 s SER 88 N -1.87 6.61 0.00 0.23 0.15 -0.19 -0.75 113.70 117.88 1uy2 s SER 88 Ca 0.16 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1uy2 s SER 88 Cb -0.10 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1uy2 s SER 88 CO 0.07 0.17 0.00 0.47 1.20 0.00 0.00 173.24 175.16 1uy2 n ASP 89 N 0.88 0.00 -3.60 5.45 8.00 -0.12 -3.30 116.55 123.86 1uy2 n ASP 89 Ca -0.08 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.38 1uy2 n ASP 89 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1uy2 n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1uy2 s SER 90 N 0.00 -0.12 0.62 -2.24 1.04 -1.26 -4.73 113.70 107.00 1uy2 s SER 90 Ca 0.00 -0.54 0.35 0.00 0.48 0.00 0.00 55.95 56.24 1uy2 s SER 90 Cb 0.00 0.53 2.02 0.00 0.10 0.00 0.00 66.02 68.68 1uy2 s SER 90 CO 0.00 -1.01 2.28 -0.65 0.98 0.00 0.00 173.24 174.84 1uy2 h PRO 91 N 2.00 0.00 -0.42 4.02 0.11 -1.94 -0.81 132.00 134.96 1uy2 h PRO 91 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1uy2 h PRO 91 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uy2 h PRO 91 CO 0.29 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.33 1uy2 n THR 92 N -3.57 1.15 -1.30 -1.15 -2.24 -1.26 -5.00 114.28 100.91 1uy2 n THR 92 Ca -0.03 -1.08 -0.18 0.00 -2.27 0.00 0.00 64.05 60.49 1uy2 n THR 92 Cb 0.10 0.42 0.13 0.00 -2.10 0.00 0.00 70.33 68.88 1uy2 n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy2 n GLY 93 N 0.65 -1.79 3.67 3.38 0.00 -0.31 -4.94 105.19 105.85 1uy2 n GLY 93 Ca 0.15 -1.62 -0.46 0.00 0.00 0.00 0.00 46.02 44.09 1uy2 n GLY 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uy2 n THR 94 N -3.37 0.08 -2.30 2.61 -1.04 -1.21 -4.63 114.28 104.41 1uy2 n THR 94 Ca 0.10 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.67 1uy2 n THR 94 Cb 0.35 -1.60 -0.02 0.00 -1.82 0.00 0.00 70.33 67.23 1uy2 n THR 94 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1uy2 s LEU 95 N 1.32 3.53 0.12 -4.42 2.96 -1.26 -1.03 118.68 119.90 1uy2 s LEU 95 Ca 0.80 0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 55.41 1uy2 s LEU 95 Cb -0.67 -3.41 -0.10 0.00 0.50 0.00 0.00 46.19 42.50 1uy2 s LEU 95 CO 0.39 -1.56 1.30 -0.07 -1.32 0.00 0.00 176.35 175.10 1uy2 h LEU 96 N 12.72 0.65 0.00 -0.68 3.38 -0.86 -3.46 115.31 127.07 1uy2 h LEU 96 Ca -0.28 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1uy2 h LEU 96 Cb 1.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1uy2 h LEU 96 CO 1.10 1.28 0.00 0.61 0.09 0.00 0.00 178.44 181.52 1uy2 n GLY 97 N 0.88 -0.40 2.89 0.83 0.00 -1.16 -1.26 105.19 106.96 1uy2 n GLY 97 Ca -0.07 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 1uy2 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uy2 s THR 98 N -2.00 0.61 -0.29 2.61 2.01 -1.26 -0.72 115.64 116.60 1uy2 s THR 98 Ca 0.00 -0.14 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 1uy2 s THR 98 Cb 0.00 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1uy2 s THR 98 CO 0.00 0.26 0.46 -0.22 -0.69 0.00 0.00 174.62 174.43 1uy2 s LEU 99 N 1.11 4.15 -0.20 4.42 2.96 0.94 -4.90 118.68 127.16 1uy2 s LEU 99 Ca -0.08 0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1uy2 s LEU 99 Cb -0.14 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1uy2 s LEU 99 CO -0.01 -0.31 0.43 -0.31 -1.32 0.00 0.00 176.35 174.82 1uy2 s TYR 100 N 2.25 3.37 -0.22 5.38 2.02 -1.26 -0.48 117.35 128.40 1uy2 s TYR 100 Ca 0.18 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.55 1uy2 s TYR 100 Cb -0.16 -2.56 0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1uy2 s TYR 100 CO 0.11 -0.04 -0.13 0.08 -1.57 0.00 0.00 175.55 174.00 1uy2 s VAL 101 N 1.40 1.99 0.56 0.71 1.01 0.45 -4.97 120.40 121.55 1uy2 s VAL 101 Ca 0.20 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1uy2 s VAL 101 Cb -0.15 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1uy2 s VAL 101 CO 0.08 0.17 0.83 -0.94 0.00 0.00 0.00 175.10 175.24 1uy2 s SER 102 N 1.23 5.43 0.15 3.32 1.04 -1.26 -0.42 113.70 123.18 1uy2 s SER 102 Ca -0.03 0.35 -0.34 0.00 0.48 0.00 0.00 55.95 56.41 1uy2 s SER 102 Cb -0.17 -1.32 -0.16 0.00 0.10 0.00 0.00 66.02 64.47 1uy2 s SER 102 CO -0.08 -1.09 1.22 -0.24 0.98 0.00 0.00 173.24 174.03 1uy2 n SER 103 N -2.44 1.44 -0.36 7.02 2.88 -1.26 -4.81 113.62 116.09 1uy2 n SER 103 Ca 0.05 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 1uy2 n SER 103 Cb 0.59 -1.21 0.27 0.00 -0.75 0.00 0.00 64.21 63.11 1uy2 n SER 103 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1uy2 n THR 104 N 1.82 0.00 0.00 2.46 -2.24 0.06 -4.97 114.28 111.41 1uy2 n THR 104 Ca 0.16 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1uy2 n THR 104 Cb 0.23 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1uy2 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy2 n GLY 105 N 1.35 2.74 3.54 3.38 0.00 -1.22 -4.79 105.19 110.18 1uy2 n GLY 105 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1uy2 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uy2 s SER 106 N -1.43 -0.36 0.04 1.61 1.04 -1.26 -4.97 113.70 108.37 1uy2 s SER 106 Ca 0.00 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.47 1uy2 s SER 106 Cb 0.00 0.43 0.50 0.00 0.10 0.00 0.00 66.02 67.04 1uy2 s SER 106 CO 0.00 -0.71 1.36 0.79 0.98 0.00 0.00 173.24 175.66 1uy2 n TRP 107 N -0.30 0.11 0.04 5.02 7.02 -1.26 -2.60 117.44 125.47 1uy2 n TRP 107 Ca -0.09 0.05 0.01 0.00 -1.02 0.00 0.00 57.50 56.44 1uy2 n TRP 107 Cb 0.62 -0.57 0.01 0.00 -2.42 0.00 0.00 31.31 28.95 1uy2 n TRP 107 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1uy2 n ASN 108 N -1.60 1.48 -4.36 -0.99 4.13 -1.26 -4.75 115.26 107.91 1uy2 n ASN 108 Ca 0.02 -1.39 -0.45 0.00 1.68 0.00 0.00 54.58 54.44 1uy2 n ASN 108 Cb 0.12 -0.01 -0.05 0.00 -1.54 0.00 0.00 39.78 38.30 1uy2 n ASN 108 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1uy2 s THR 109 N -0.43 4.95 0.17 3.41 2.01 -1.07 -4.76 115.64 119.91 1uy2 s THR 109 Ca 0.02 -1.09 -0.18 0.00 0.31 0.00 0.00 61.69 60.75 1uy2 s THR 109 Cb 0.02 -4.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 1uy2 s THR 109 CO 0.02 -1.00 0.64 -0.31 -0.69 0.00 0.00 174.62 173.29 1uy2 s TYR 110 N 2.33 3.68 -0.01 4.92 1.51 -1.26 -4.35 117.35 124.17 1uy2 s TYR 110 Ca 0.09 1.28 0.01 0.00 -1.01 0.00 0.00 57.07 57.43 1uy2 s TYR 110 Cb -0.25 -2.52 0.01 0.00 -0.11 0.00 0.00 41.96 39.08 1uy2 s TYR 110 CO 0.06 0.43 -0.01 1.21 -1.11 0.00 0.00 175.55 176.12 1uy2 s ASN 111 N -1.53 0.31 -0.10 2.29 3.04 0.09 -4.91 114.94 114.13 1uy2 s ASN 111 Ca 0.38 -0.03 -0.30 0.00 0.04 0.00 0.00 52.86 52.95 1uy2 s ASN 111 Cb -0.17 -0.10 -0.02 0.00 -1.54 0.00 0.00 41.25 39.42 1uy2 s ASN 111 CO 0.20 -0.03 1.07 -0.89 -3.04 0.00 0.00 177.10 174.41 1uy2 s THR 112 N 0.43 4.62 -0.02 -5.21 2.01 -1.26 -1.49 115.64 114.72 1uy2 s THR 112 Ca -0.04 1.90 0.05 0.00 0.31 0.00 0.00 61.69 63.91 1uy2 s THR 112 Cb -0.07 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1uy2 s THR 112 CO -0.01 -0.01 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.06 1uy2 s VAL 113 N 2.15 1.31 0.11 3.82 1.01 -0.18 -4.97 120.40 123.64 1uy2 s VAL 113 Ca 0.50 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1uy2 s VAL 113 Cb -0.20 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1uy2 s VAL 113 CO 0.18 0.37 -0.17 -0.94 0.00 0.00 0.00 175.10 174.55 1uy2 s SER 114 N -0.33 2.19 0.08 3.32 1.04 -1.26 -1.05 113.70 117.70 1uy2 s SER 114 Ca 0.05 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 1uy2 s SER 114 Cb -0.07 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1uy2 s SER 114 CO -0.00 -0.04 0.02 0.28 0.98 0.00 0.00 173.24 174.47 1uy2 s THR 115 N -1.57 0.17 0.42 2.02 -1.32 0.37 -4.93 115.64 110.79 1uy2 s THR 115 Ca 0.06 -1.82 -0.24 0.00 -1.21 0.00 0.00 61.69 58.49 1uy2 s THR 115 Cb -0.08 -1.71 -0.08 0.00 -1.51 0.00 0.00 72.50 69.11 1uy2 s THR 115 CO 0.04 -0.78 1.10 0.54 -2.21 0.00 0.00 174.62 173.31 1uy2 s ASN 116 N -2.97 6.53 0.19 8.08 4.22 -1.26 -1.43 114.94 128.31 1uy2 s ASN 116 Ca 0.13 2.16 0.04 0.00 -2.14 0.00 0.00 52.86 53.05 1uy2 s ASN 116 Cb 0.08 -2.59 -0.05 0.00 1.28 0.00 0.00 41.25 39.96 1uy2 s ASN 116 CO -0.05 -0.66 -0.04 0.27 -2.04 0.00 0.00 177.10 174.58 1uy2 s ILE 117 N -1.60 1.05 0.49 0.54 -4.36 -0.32 -4.58 121.20 112.42 1uy2 s ILE 117 Ca 0.60 -2.04 -0.23 0.00 -0.26 0.00 0.00 60.65 58.72 1uy2 s ILE 117 Cb -0.25 -2.13 -0.06 0.00 1.25 0.00 0.00 42.46 41.26 1uy2 s ILE 117 CO 0.31 -0.50 1.30 -0.94 0.24 0.00 0.00 174.94 175.35 1uy2 s SER 118 N -3.24 5.74 0.15 4.36 1.04 -0.39 -4.55 113.70 116.80 1uy2 s SER 118 Ca 0.24 2.63 -0.31 0.00 0.48 0.00 0.00 55.95 58.98 1uy2 s SER 118 Cb 0.04 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 1uy2 s SER 118 CO 0.05 -1.24 1.67 -0.75 0.98 0.00 0.00 173.24 173.96 1uy2 s LYS 119 N -2.70 4.17 -0.02 4.02 2.20 -1.26 -4.69 119.74 121.47 1uy2 s LYS 119 Ca 0.66 2.46 0.06 0.00 -0.36 0.00 0.00 55.97 58.78 1uy2 s LYS 119 Cb -0.37 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1uy2 s LYS 119 CO 0.45 -0.71 -0.19 -1.50 -0.36 0.00 0.00 175.35 173.04 1uy2 s ILE 120 N 1.78 1.49 0.26 5.43 2.07 -0.92 -4.95 121.20 126.36 1uy2 s ILE 120 Ca 0.74 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 59.23 1uy2 s ILE 120 Cb -0.45 -1.24 -0.05 0.00 0.13 0.00 0.00 42.46 40.85 1uy2 s ILE 120 CO 0.33 0.42 -0.03 0.42 -1.91 0.00 0.00 174.94 174.17 1uy2 s THR 121 N -0.39 1.34 0.00 4.00 -4.23 -1.26 -1.48 115.64 113.62 1uy2 s THR 121 Ca 0.06 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1uy2 s THR 121 Cb -0.08 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1uy2 s THR 121 CO -0.00 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1uy2 n GLY 122 N -0.50 -1.14 3.68 3.99 0.00 -0.52 -4.81 105.19 105.90 1uy2 n GLY 122 Ca -0.05 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 1uy2 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uy2 s VAL 123 N 0.00 5.29 -0.06 1.61 1.01 -1.26 -0.63 120.40 126.36 1uy2 s VAL 123 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1uy2 s VAL 123 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1uy2 s VAL 123 CO 0.00 0.40 0.26 -1.00 0.00 0.00 0.00 175.10 174.76 1uy2 s HIS 124 N 0.69 -0.21 0.60 5.22 4.02 -0.17 -4.92 115.29 120.51 1uy2 s HIS 124 Ca 0.07 0.47 -0.19 0.00 1.02 0.00 0.00 55.06 56.43 1uy2 s HIS 124 Cb -0.12 0.08 -0.03 0.00 -1.02 0.00 0.00 32.58 31.48 1uy2 s HIS 124 CO 0.01 -0.24 1.21 -0.51 1.02 0.00 0.00 174.74 176.24 1uy2 s ASP 125 N -0.52 5.15 -0.05 1.40 1.11 -1.26 -0.98 116.67 121.52 1uy2 s ASP 125 Ca -0.06 2.40 0.06 0.00 0.18 0.00 0.00 52.55 55.13 1uy2 s ASP 125 Cb -0.04 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 1uy2 s ASP 125 CO 0.02 -1.62 -0.24 -0.63 1.18 0.00 0.00 175.17 173.87 1uy2 s ILE 126 N -1.58 1.99 -0.18 0.77 -1.09 0.42 -0.94 121.20 120.59 1uy2 s ILE 126 Ca 0.78 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 1uy2 s ILE 126 Cb -0.31 -1.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.90 1uy2 s ILE 126 CO 0.33 0.56 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.74 1uy2 s VAL 127 N -0.17 2.42 -0.10 2.92 1.01 0.07 -0.42 120.40 126.13 1uy2 s VAL 127 Ca -0.03 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1uy2 s VAL 127 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1uy2 s VAL 127 CO 0.03 0.51 0.52 -0.76 0.00 0.00 0.00 175.10 175.40 1uy2 s LEU 128 N 1.17 4.29 -0.16 3.92 1.43 0.45 -0.94 118.68 128.84 1uy2 s LEU 128 Ca 0.02 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1uy2 s LEU 128 Cb -0.14 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1uy2 s LEU 128 CO -0.07 -0.01 -0.18 -0.69 0.23 0.00 0.00 176.35 175.63 1uy2 s VAL 129 N 0.59 2.38 -0.15 -1.59 1.01 -0.14 -1.15 120.40 121.35 1uy2 s VAL 129 Ca 0.28 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1uy2 s VAL 129 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1uy2 s VAL 129 CO 0.12 0.53 0.09 -0.36 0.00 0.00 0.00 175.10 175.47 1uy2 s PHE 130 N 0.95 3.38 -2.32 5.22 0.08 -0.24 -0.91 117.98 124.13 1uy2 s PHE 130 Ca -0.03 0.28 0.26 0.00 0.12 0.00 0.00 56.93 57.56 1uy2 s PHE 130 Cb -0.15 -2.01 0.69 0.00 -0.57 0.00 0.00 43.02 40.99 1uy2 s PHE 130 CO -0.03 0.41 1.53 -1.13 -0.10 0.00 0.00 175.22 175.90 1uy2 n SER 131 N 2.83 1.69 0.00 1.36 3.41 -0.88 -0.53 113.62 121.50 1uy2 n SER 131 Ca -0.18 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 1uy2 n SER 131 Cb 0.53 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1uy2 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy2 n GLY 132 N 1.28 -1.98 3.75 5.00 0.00 -1.26 -4.33 105.19 107.64 1uy2 n GLY 132 Ca 0.15 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1uy2 n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uy2 s PRO 133 N -1.96 4.26 -0.20 1.61 0.04 -1.22 -4.64 135.00 132.90 1uy2 s PRO 133 Ca 0.00 2.32 -0.27 0.00 0.04 0.00 0.00 61.00 63.09 1uy2 s PRO 133 Cb 0.00 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 31.54 1uy2 s PRO 133 CO 0.00 -0.41 0.86 0.54 0.04 0.00 0.00 177.00 178.03 1uy2 s VAL 134 N -0.19 0.00 -0.22 -0.36 0.11 -1.26 -4.73 120.40 113.75 1uy2 s VAL 134 Ca 0.58 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.53 1uy2 s VAL 134 Cb -0.42 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.38 1uy2 s VAL 134 CO 0.46 0.00 0.15 0.20 -3.33 0.00 0.00 175.10 172.58 1uy2 s ASN 135 N -0.29 6.17 -0.17 3.54 0.01 0.30 -4.54 114.94 119.96 1uy2 s ASN 135 Ca -0.02 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1uy2 s ASN 135 Cb -0.03 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.54 1uy2 s ASN 135 CO 0.01 0.11 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.86 1uy2 s VAL 136 N 0.74 2.42 -0.14 1.60 1.01 -0.40 -0.67 120.40 124.97 1uy2 s VAL 136 Ca 0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1uy2 s VAL 136 Cb -0.12 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1uy2 s VAL 136 CO 0.02 0.52 0.08 -0.78 0.00 0.00 0.00 175.10 174.93 1uy2 h ASP 137 N 7.72 0.00 -5.18 3.32 1.82 -1.22 0.00 116.42 122.87 1uy2 h ASP 137 Ca -0.40 -0.22 -0.09 0.00 -0.39 0.00 0.00 57.03 55.92 1uy2 h ASP 137 Cb 1.16 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.14 1uy2 h ASP 137 CO 0.60 0.83 0.10 0.54 -1.61 0.00 0.00 179.24 179.70 1uy2 s ASN 138 N -5.93 0.26 0.25 2.28 6.03 -1.23 -1.71 114.94 114.89 1uy2 s ASN 138 Ca -0.13 -1.19 -0.21 0.00 -1.03 0.00 0.00 52.86 50.30 1uy2 s ASN 138 Cb 0.01 0.76 0.03 0.00 -3.03 0.00 0.00 41.25 39.03 1uy2 s ASN 138 CO 0.28 -1.50 0.67 0.72 -2.03 0.00 0.00 177.10 175.23 1uy2 s PHE 139 N -2.80 -0.23 -0.06 1.54 -0.71 -0.48 -1.18 117.98 114.05 1uy2 s PHE 139 Ca 0.20 -0.16 -0.31 0.00 -1.04 0.00 0.00 56.93 55.62 1uy2 s PHE 139 Cb -0.03 0.63 0.08 0.00 -1.21 0.00 0.00 43.02 42.49 1uy2 s PHE 139 CO 0.14 -1.12 0.72 -1.50 -1.34 0.00 0.00 175.22 172.11 1uy2 s ILE 140 N -3.89 0.00 0.21 -4.49 2.07 -0.07 -0.87 121.20 114.17 1uy2 s ILE 140 Ca 0.09 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.38 1uy2 s ILE 140 Cb -0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 1uy2 s ILE 140 CO 0.02 0.00 0.28 -0.36 -1.91 0.00 0.00 174.94 172.98 1uy2 s PHE 141 N -1.28 3.36 0.00 3.50 0.08 -0.53 -0.94 117.98 122.17 1uy2 s PHE 141 Ca -0.09 0.00 0.08 0.00 0.12 0.00 0.00 56.93 57.04 1uy2 s PHE 141 Cb -0.00 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1uy2 s PHE 141 CO 0.08 0.49 -0.24 -1.54 -0.10 0.00 0.00 175.22 173.90 1uy2 s SER 142 N -3.64 3.24 0.61 1.36 1.04 -0.19 -4.53 113.70 111.59 1uy2 s SER 142 Ca 0.34 -0.48 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 1uy2 s SER 142 Cb -0.09 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 1uy2 s SER 142 CO 0.27 0.30 1.06 0.00 0.98 0.00 0.00 173.24 175.85 1uy2 s ARG 143 N -0.88 3.24 0.00 4.02 1.70 -1.26 -0.81 118.95 124.95 1uy2 s ARG 143 Ca 0.11 1.17 0.28 0.00 -0.47 0.00 0.00 55.73 56.82 1uy2 s ARG 143 Cb -0.10 -2.02 1.69 0.00 -0.57 0.00 0.00 34.95 33.95 1uy2 s ARG 143 CO 0.01 -0.87 2.03 -1.13 -1.08 0.00 0.00 175.30 174.25