#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uy1 n PRO 15 N 0.00 2.29 0.21 1.43 -0.02 -1.26 -4.89 135.00 132.76 1uy1 n PRO 15 Ca 0.00 0.81 0.09 0.00 -2.02 0.00 0.00 63.50 62.38 1uy1 n PRO 15 Cb 0.00 -2.53 0.43 0.00 -0.02 0.00 0.00 33.50 31.38 1uy1 n PRO 15 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1uy1 h ILE 16 N 2.50 0.64 -3.39 4.25 6.09 -1.98 -3.43 117.51 122.19 1uy1 h ILE 16 Ca -0.49 -1.21 -0.05 0.00 -1.37 0.00 0.00 64.86 61.74 1uy1 h ILE 16 Cb 1.27 1.80 -0.12 0.00 0.47 0.00 0.00 36.82 40.23 1uy1 h ILE 16 CO 0.62 0.26 -0.06 0.00 -3.07 0.00 0.00 178.15 175.90 1uy1 s ARG 17 N -3.65 1.13 0.16 2.19 1.70 -1.26 -4.16 118.95 115.06 1uy1 s ARG 17 Ca 0.00 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 54.32 1uy1 s ARG 17 Cb 0.10 0.48 0.05 0.00 -0.57 0.00 0.00 34.95 35.01 1uy1 s ARG 17 CO 0.65 -0.45 0.51 1.03 -1.08 0.00 0.00 175.30 175.96 1uy1 s ARG 18 N -3.82 1.23 -0.06 3.89 0.52 -0.82 -5.01 118.95 114.88 1uy1 s ARG 18 Ca 0.05 -0.66 -0.20 0.00 -0.52 0.00 0.00 55.73 54.40 1uy1 s ARG 18 Cb 0.01 0.53 -0.05 0.00 0.52 0.00 0.00 34.95 35.97 1uy1 s ARG 18 CO -0.10 -0.52 0.58 0.34 0.02 0.00 0.00 175.30 175.62 1uy1 s ASP 19 N -2.80 6.88 0.53 0.23 2.15 -1.26 -0.71 116.67 121.69 1uy1 s ASP 19 Ca 0.04 1.05 0.28 0.00 0.43 0.00 0.00 52.55 54.35 1uy1 s ASP 19 Cb -0.00 -2.35 1.49 0.00 -0.30 0.00 0.00 42.92 41.76 1uy1 s ASP 19 CO -0.10 0.02 2.08 0.00 -0.17 0.00 0.00 175.17 177.00 1uy1 h ALA 20 N 6.24 1.27 -0.82 3.66 0.00 -1.49 -3.22 119.26 124.91 1uy1 h ALA 20 Ca -0.43 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 53.82 1uy1 h ALA 20 Cb 1.19 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 18.64 1uy1 h ALA 20 CO 0.73 0.13 0.07 1.19 0.00 0.00 0.00 179.25 181.37 1uy1 n PHE 21 N -3.61 2.78 -3.88 0.00 3.72 -1.26 -1.50 117.46 113.71 1uy1 n PHE 21 Ca -0.02 -2.49 -0.09 0.00 -0.05 0.00 0.00 57.45 54.80 1uy1 n PHE 21 Cb 0.23 -0.87 -0.08 0.00 -0.94 0.00 0.00 39.48 37.82 1uy1 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uy1 s SER 22 N -2.61 0.14 0.25 4.37 0.15 -1.22 -5.03 113.70 109.75 1uy1 s SER 22 Ca 0.57 -0.60 -0.31 0.00 0.70 0.00 0.00 55.95 56.31 1uy1 s SER 22 Cb 0.46 0.30 -0.12 0.00 -1.71 0.00 0.00 66.02 64.95 1uy1 s SER 22 CO 0.02 -0.65 1.66 -0.63 1.20 0.00 0.00 173.24 174.84 1uy1 s ILE 23 N -3.41 2.04 -0.18 6.45 -1.09 -1.26 -4.76 121.20 118.99 1uy1 s ILE 23 Ca 0.02 0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1uy1 s ILE 23 Cb 0.03 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 1uy1 s ILE 23 CO -0.08 0.00 -0.05 -0.63 -1.23 0.00 0.00 174.94 172.95 1uy1 s ILE 24 N 0.61 3.59 -0.12 2.92 1.01 0.04 -4.98 121.20 124.26 1uy1 s ILE 24 Ca 0.69 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 1uy1 s ILE 24 Cb -0.49 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 1uy1 s ILE 24 CO 0.40 0.47 0.98 -1.61 0.00 0.00 0.00 174.94 175.18 1uy1 s GLU 25 N 0.77 4.39 0.36 2.79 0.41 -1.26 -1.21 118.70 124.96 1uy1 s GLU 25 Ca -0.02 1.33 0.04 0.00 -0.41 0.00 0.00 54.97 55.91 1uy1 s GLU 25 Cb -0.15 -3.55 0.67 0.00 -1.78 0.00 0.00 34.13 29.32 1uy1 s GLU 25 CO 0.02 -0.34 1.98 0.00 -0.49 0.00 0.00 175.26 176.43 1uy1 h ALA 26 N 7.15 1.53 0.00 5.21 0.00 -1.62 -1.84 119.26 129.69 1uy1 h ALA 26 Ca -0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1uy1 h ALA 26 Cb 1.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1uy1 h ALA 26 CO 0.86 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 179.65 1uy1 n GLU 27 N -4.40 0.17 -1.99 0.00 0.00 -1.26 -3.31 120.64 109.84 1uy1 n GLU 27 Ca 0.04 0.44 -0.37 0.00 0.00 0.00 0.00 57.16 57.27 1uy1 n GLU 27 Cb 0.11 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 29.71 1uy1 n GLU 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1uy1 n GLU 28 N -2.16 3.54 -2.34 3.44 1.02 -0.69 -5.01 120.64 118.45 1uy1 n GLU 28 Ca 0.02 -3.48 -0.28 0.00 -0.02 0.00 0.00 57.16 53.40 1uy1 n GLU 28 Cb 0.19 -2.34 0.01 0.00 -0.02 0.00 0.00 31.44 29.29 1uy1 n GLU 28 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1uy1 s TYR 29 N -3.13 3.49 -0.17 -0.32 -0.85 -1.21 -4.65 117.35 110.51 1uy1 s TYR 29 Ca 0.51 0.90 0.14 0.00 -0.52 0.00 0.00 57.07 58.10 1uy1 s TYR 29 Cb 0.33 -2.56 -0.24 0.00 0.38 0.00 0.00 41.96 39.87 1uy1 s TYR 29 CO -0.26 -0.58 0.18 0.09 -1.52 0.00 0.00 175.55 173.46 1uy1 n ASN 30 N -2.51 0.53 -3.61 -0.18 4.13 0.10 -4.64 115.26 109.09 1uy1 n ASN 30 Ca 0.03 0.08 -0.11 0.00 1.68 0.00 0.00 54.58 56.27 1uy1 n ASN 30 Cb 0.56 0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 39.27 1uy1 n ASN 30 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1uy1 s SER 31 N -5.82 -0.33 0.05 6.41 1.04 -1.07 -5.00 113.70 108.98 1uy1 s SER 31 Ca -0.12 -0.28 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 1uy1 s SER 31 Cb 0.07 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.77 1uy1 s SER 31 CO 0.80 -0.95 0.44 0.28 0.98 0.00 0.00 173.24 174.79 1uy1 s THR 32 N -3.81 0.05 -1.60 2.02 -1.32 -1.26 -1.06 115.64 108.66 1uy1 s THR 32 Ca 0.04 -0.40 0.28 0.00 -1.21 0.00 0.00 61.69 60.40 1uy1 s THR 32 Cb 0.00 -0.97 0.41 0.00 -1.51 0.00 0.00 72.50 70.43 1uy1 s THR 32 CO -0.09 -0.22 1.83 -0.46 -2.21 0.00 0.00 174.62 173.46 1uy1 n ASN 33 N 0.42 0.48 -4.77 8.08 6.94 -1.07 -4.97 115.26 120.37 1uy1 n ASN 33 Ca -0.18 -0.53 -0.38 0.00 -0.02 0.00 0.00 54.58 53.47 1uy1 n ASN 33 Cb 0.60 -0.07 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 1uy1 n ASN 33 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1uy1 s SER 34 N -2.52 6.82 0.00 0.53 0.15 -1.26 -4.94 113.70 112.47 1uy1 s SER 34 Ca 0.27 2.22 0.16 0.00 0.70 0.00 0.00 55.95 59.31 1uy1 s SER 34 Cb 0.20 -2.61 0.16 0.00 -1.71 0.00 0.00 66.02 62.06 1uy1 s SER 34 CO 0.49 -0.46 1.06 -1.20 1.20 0.00 0.00 173.24 174.33 1uy1 n SER 35 N 0.35 2.48 -0.01 5.45 7.64 -1.26 -4.61 113.62 123.66 1uy1 n SER 35 Ca 0.03 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1uy1 n SER 35 Cb 0.47 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1uy1 n SER 35 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1uy1 n THR 36 N 0.94 0.07 -1.71 0.44 -2.24 -1.26 -5.07 114.28 105.46 1uy1 n THR 36 Ca 0.10 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1uy1 n THR 36 Cb 0.42 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1uy1 n THR 36 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1uy1 n LEU 37 N -1.84 3.70 -4.30 3.22 0.00 -1.17 -4.71 117.00 111.90 1uy1 n LEU 37 Ca -0.02 1.14 -0.24 0.00 0.00 0.00 0.00 56.01 56.89 1uy1 n LEU 37 Cb 0.32 -1.51 -0.12 0.00 0.00 0.00 0.00 43.42 42.11 1uy1 n LEU 37 CO 0.05 -0.17 -0.51 -1.10 0.00 0.00 0.00 177.39 175.66 1uy1 s GLN 38 N -0.34 1.17 -0.03 1.96 -0.21 -0.42 -5.00 119.66 116.79 1uy1 s GLN 38 Ca 0.67 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.52 1uy1 s GLN 38 Cb -0.58 -1.39 -0.03 0.00 1.00 0.00 0.00 33.01 32.01 1uy1 s GLN 38 CO 0.48 0.31 1.15 0.08 -2.12 0.00 0.00 175.29 175.19 1uy1 s VAL 39 N -1.39 4.36 0.29 1.09 1.01 -1.26 -1.06 120.40 123.44 1uy1 s VAL 39 Ca 0.09 1.68 0.12 0.00 0.00 0.00 0.00 61.98 63.86 1uy1 s VAL 39 Cb -0.09 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1uy1 s VAL 39 CO 0.05 0.04 -0.17 0.27 0.00 0.00 0.00 175.10 175.29 1uy1 s ILE 40 N 1.79 2.49 0.48 2.22 -4.36 -0.26 -4.94 121.20 118.63 1uy1 s ILE 40 Ca 0.55 -2.36 -0.05 0.00 -0.26 0.00 0.00 60.65 58.53 1uy1 s ILE 40 Cb -0.24 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 1uy1 s ILE 40 CO 0.24 -0.37 0.78 -0.83 0.24 0.00 0.00 174.94 174.99 1uy1 s GLY 41 N -3.53 1.49 0.35 6.27 0.00 -1.26 -1.05 107.32 109.58 1uy1 s GLY 41 Ca 0.30 -0.53 0.09 0.00 0.00 0.00 0.00 44.72 44.59 1uy1 s GLY 41 CO 0.15 -0.37 -0.05 -0.51 0.00 0.00 0.00 173.10 172.33 1uy1 s THR 42 N -2.73 2.39 0.48 0.90 -4.23 -0.68 -4.78 115.64 106.99 1uy1 s THR 42 Ca 0.47 -2.10 0.20 0.00 -1.18 0.00 0.00 61.69 59.08 1uy1 s THR 42 Cb -0.10 -2.72 0.37 0.00 1.34 0.00 0.00 72.50 71.39 1uy1 s THR 42 CO 0.44 -0.19 1.97 -0.65 -0.54 0.00 0.00 174.62 175.65 1uy1 h PRO 43 N 1.92 0.20 -0.94 3.99 0.11 -1.90 -1.74 132.00 133.64 1uy1 h PRO 43 Ca -0.42 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.19 1uy1 h PRO 43 Cb 1.25 -0.04 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 1uy1 h PRO 43 CO 0.69 0.13 0.59 0.09 -0.21 0.00 0.00 178.00 179.29 1uy1 n ASN 44 N -4.43 3.68 -2.40 -2.05 3.02 -1.26 -4.90 115.26 106.92 1uy1 n ASN 44 Ca 0.11 -3.61 -0.18 0.00 -0.03 0.00 0.00 54.58 50.86 1uy1 n ASN 44 Cb 0.54 -0.82 0.02 0.00 -0.61 0.00 0.00 39.78 38.91 1uy1 n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uy1 n ASN 45 N -1.12 -5.35 -1.62 6.41 3.02 -0.65 -5.02 115.26 110.93 1uy1 n ASN 45 Ca 0.57 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1uy1 n ASN 45 Cb 1.62 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 1uy1 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uy1 n GLY 46 N -1.29 1.11 3.25 7.41 0.00 -1.25 -4.88 105.19 109.54 1uy1 n GLY 46 Ca -0.13 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 1uy1 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uy1 s ARG 47 N -0.82 1.14 0.11 1.61 0.52 -1.26 -1.69 118.95 118.55 1uy1 s ARG 47 Ca 0.00 -1.55 -0.04 0.00 -0.52 0.00 0.00 55.73 53.62 1uy1 s ARG 47 Cb 0.00 -0.30 0.01 0.00 0.52 0.00 0.00 34.95 35.19 1uy1 s ARG 47 CO 0.00 -0.13 0.21 0.41 0.02 0.00 0.00 175.30 175.80 1uy1 n GLY 48 N -0.26 1.85 3.47 -3.53 0.00 -0.21 -4.61 105.19 101.89 1uy1 n GLY 48 Ca -0.06 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1uy1 n GLY 48 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uy1 s ILE 49 N -2.73 3.01 0.00 -0.61 -4.36 -0.06 -1.10 121.20 115.36 1uy1 s ILE 49 Ca 0.05 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.63 1uy1 s ILE 49 Cb -0.01 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1uy1 s ILE 49 CO 0.04 0.55 0.00 0.61 0.24 0.00 0.00 174.94 176.37 1uy1 n GLY 50 N 2.17 4.02 3.88 6.27 0.00 -0.23 -1.30 105.19 120.00 1uy1 n GLY 50 Ca -0.17 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 1uy1 n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uy1 n TYR 51 N 0.00 -2.14 -3.42 1.61 4.02 -1.26 -1.30 117.16 114.68 1uy1 n TYR 51 Ca 0.00 0.87 -0.38 0.00 -0.01 0.00 0.00 57.90 58.39 1uy1 n TYR 51 Cb 0.00 -4.02 -0.06 0.00 -0.02 0.00 0.00 39.34 35.24 1uy1 n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uy1 s ILE 52 N -3.44 4.92 0.25 -0.72 1.01 -1.26 -3.04 121.20 118.91 1uy1 s ILE 52 Ca 0.46 0.95 0.12 0.00 0.00 0.00 0.00 60.65 62.17 1uy1 s ILE 52 Cb -0.23 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1uy1 s ILE 52 CO 0.83 0.53 -0.21 -1.61 0.00 0.00 0.00 174.94 174.49 1uy1 s GLU 53 N -1.19 1.61 0.07 2.79 2.02 -1.26 -3.47 118.70 119.27 1uy1 s GLU 53 Ca 0.27 -1.68 -0.37 0.00 0.02 0.00 0.00 54.97 53.21 1uy1 s GLU 53 Cb -0.17 -1.77 -0.17 0.00 0.10 0.00 0.00 34.13 32.12 1uy1 s GLU 53 CO 0.16 0.35 1.34 -1.71 0.02 0.00 0.00 175.26 175.41 1uy1 n ASN 54 N -0.31 1.56 0.00 -0.19 5.15 -1.26 -1.38 115.26 118.83 1uy1 n ASN 54 Ca -0.08 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 1uy1 n ASN 54 Cb 0.59 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 1uy1 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uy1 n GLY 55 N 2.51 1.73 3.77 8.20 0.00 -0.05 -4.93 105.19 116.43 1uy1 n GLY 55 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1uy1 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uy1 s ASN 56 N -2.91 6.53 0.12 1.61 0.02 -0.48 -4.82 114.94 115.01 1uy1 s ASN 56 Ca 0.00 2.78 0.11 0.00 -1.02 0.00 0.00 52.86 54.72 1uy1 s ASN 56 Cb 0.00 -2.65 -0.04 0.00 0.02 0.00 0.00 41.25 38.58 1uy1 s ASN 56 CO 0.00 -0.71 -0.27 0.42 0.02 0.00 0.00 177.10 176.56 1uy1 s THR 57 N -1.17 2.23 -0.03 1.60 -4.23 -1.26 -1.05 115.64 111.73 1uy1 s THR 57 Ca 0.52 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1uy1 s THR 57 Cb -0.41 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1uy1 s THR 57 CO 0.55 0.11 0.03 -0.69 -0.54 0.00 0.00 174.62 174.08 1uy1 s VAL 58 N -1.04 -0.02 -0.03 2.29 1.01 -0.17 -2.61 120.40 119.83 1uy1 s VAL 58 Ca 0.14 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1uy1 s VAL 58 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1uy1 s VAL 58 CO 0.06 0.13 -0.15 -0.89 0.00 0.00 0.00 175.10 174.24 1uy1 s THR 59 N 1.43 2.97 -0.12 3.92 2.01 -0.22 -0.73 115.64 124.89 1uy1 s THR 59 Ca -0.04 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1uy1 s THR 59 Cb -0.13 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.23 1uy1 s THR 59 CO -0.03 0.55 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.02 1uy1 s TYR 60 N -0.75 1.87 0.14 4.92 1.51 0.68 0.02 117.35 125.74 1uy1 s TYR 60 Ca 0.12 -0.93 -0.23 0.00 -1.01 0.00 0.00 57.07 55.02 1uy1 s TYR 60 Cb -0.11 -1.40 -0.08 0.00 -0.11 0.00 0.00 41.96 40.27 1uy1 s TYR 60 CO 0.01 -0.52 0.71 -1.12 -1.11 0.00 0.00 175.55 173.52 1uy1 s SER 61 N 1.25 7.25 -1.20 2.29 0.01 -1.26 -1.07 113.70 120.97 1uy1 s SER 61 Ca -0.02 1.50 -0.08 0.00 1.31 0.00 0.00 55.95 58.66 1uy1 s SER 61 Cb -0.14 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1uy1 s SER 61 CO -0.05 0.21 0.77 0.59 0.41 0.00 0.00 173.24 175.17 1uy1 n ASN 62 N 1.53 -3.65 -4.71 2.44 3.02 -1.25 -4.18 115.26 108.46 1uy1 n ASN 62 Ca -0.07 -0.87 -0.42 0.00 -0.03 0.00 0.00 54.58 53.20 1uy1 n ASN 62 Cb 0.50 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 1uy1 n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1uy1 s ILE 63 N -3.55 4.86 -0.42 2.41 -1.09 -0.14 -1.95 121.20 121.32 1uy1 s ILE 63 Ca 0.25 2.03 -0.15 0.00 -2.23 0.00 0.00 60.65 60.56 1uy1 s ILE 63 Cb -0.07 -4.31 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1uy1 s ILE 63 CO 0.81 0.14 0.31 -0.62 -1.23 0.00 0.00 174.94 174.35 1uy1 s ASP 64 N 1.02 6.07 0.00 3.58 -1.08 0.11 -1.00 116.67 125.37 1uy1 s ASP 64 Ca 0.51 -1.01 0.22 0.00 -0.52 0.00 0.00 52.55 51.75 1uy1 s ASP 64 Cb -0.20 -2.15 0.83 0.00 -1.46 0.00 0.00 42.92 39.93 1uy1 s ASP 64 CO 0.26 -0.49 1.59 0.49 0.52 0.00 0.00 175.17 177.55 1uy1 n PHE 65 N 5.15 0.16 -0.02 -5.34 3.01 -0.22 -1.17 117.46 119.02 1uy1 n PHE 65 Ca -0.11 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1uy1 n PHE 65 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1uy1 n PHE 65 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uy1 n GLY 66 N 1.13 2.79 0.15 1.37 0.00 -1.26 -0.99 105.19 108.38 1uy1 n GLY 66 Ca 0.17 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1uy1 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uy1 n SER 67 N 1.87 0.46 0.00 1.61 3.41 -1.26 -1.75 113.62 117.96 1uy1 n SER 67 Ca 0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1uy1 n SER 67 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1uy1 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy1 n GLY 68 N 1.00 4.46 3.25 5.00 0.00 -0.16 -4.88 105.19 113.87 1uy1 n GLY 68 Ca 0.20 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1uy1 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uy1 s ALA 69 N -0.58 2.04 0.00 4.61 0.00 -0.66 -1.56 121.76 125.63 1uy1 s ALA 69 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1uy1 s ALA 69 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1uy1 s ALA 69 CO 0.00 0.42 0.76 0.25 0.00 0.00 0.00 175.76 177.18 1uy1 n THR 70 N 2.87 0.57 -3.97 0.00 -2.24 -0.17 -2.34 114.28 109.00 1uy1 n THR 70 Ca -0.17 -0.70 -0.08 0.00 -2.27 0.00 0.00 64.05 60.83 1uy1 n THR 70 Cb 0.52 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1uy1 n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uy1 s GLY 71 N -0.57 0.27 -0.01 3.38 0.00 -1.09 -1.07 107.32 108.23 1uy1 s GLY 71 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.88 1uy1 s GLY 71 CO 0.00 -1.00 -0.06 -0.12 0.00 0.00 0.00 173.10 171.92 1uy1 s PHE 72 N -3.62 0.63 -0.04 1.90 5.36 -0.44 -1.00 117.98 120.76 1uy1 s PHE 72 Ca 0.04 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 55.90 1uy1 s PHE 72 Cb 0.05 -0.45 0.01 0.00 -0.34 0.00 0.00 43.02 42.29 1uy1 s PHE 72 CO -0.09 -0.05 -0.10 -1.12 -1.46 0.00 0.00 175.22 172.39 1uy1 s SER 73 N 0.10 1.45 0.08 6.13 0.01 -0.18 -0.61 113.70 120.67 1uy1 s SER 73 Ca -0.01 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.07 1uy1 s SER 73 Cb -0.05 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 1uy1 s SER 73 CO -0.00 0.05 -0.15 0.00 0.41 0.00 0.00 173.24 173.55 1uy1 s ALA 74 N 0.44 1.24 -0.33 1.44 0.00 -0.19 -0.96 121.76 123.40 1uy1 s ALA 74 Ca -0.08 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1uy1 s ALA 74 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1uy1 s ALA 74 CO 0.02 0.17 0.18 0.99 0.00 0.00 0.00 175.76 177.12 1uy1 s THR 75 N -1.35 4.80 0.07 0.00 2.01 -0.46 -0.68 115.64 120.03 1uy1 s THR 75 Ca -0.01 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1uy1 s THR 75 Cb -0.10 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1uy1 s THR 75 CO 0.02 0.01 -0.06 0.68 -0.69 0.00 0.00 174.62 174.59 1uy1 s VAL 76 N 1.64 0.52 -0.02 3.82 -7.23 -0.30 -0.78 120.40 118.06 1uy1 s VAL 76 Ca 0.05 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1uy1 s VAL 76 Cb -0.17 -1.21 -0.00 0.00 0.56 0.00 0.00 36.38 35.56 1uy1 s VAL 76 CO 0.08 -0.71 -0.08 0.00 -0.31 0.00 0.00 175.10 174.08 1uy1 s ALA 77 N -2.81 0.70 0.07 1.32 0.00 -0.19 -0.48 121.76 120.37 1uy1 s ALA 77 Ca 0.02 -0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.43 1uy1 s ALA 77 Cb -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.96 1uy1 s ALA 77 CO -0.04 0.13 0.70 -0.08 0.00 0.00 0.00 175.76 176.48 1uy1 s THR 78 N 0.05 0.00 -1.62 0.00 -1.32 -1.24 -0.56 115.64 110.95 1uy1 s THR 78 Ca -0.00 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.62 1uy1 s THR 78 Cb -0.06 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.18 1uy1 s THR 78 CO -0.00 0.00 1.14 -0.62 -2.21 0.00 0.00 174.62 172.93 1uy1 n GLU 79 N -0.07 1.85 -4.28 7.08 1.02 -1.26 -0.85 120.64 124.13 1uy1 n GLU 79 Ca -0.15 -1.77 -0.20 0.00 -0.02 0.00 0.00 57.16 55.02 1uy1 n GLU 79 Cb 0.63 -1.32 -0.13 0.00 -0.02 0.00 0.00 31.44 30.60 1uy1 n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uy1 s VAL 80 N -1.15 1.20 0.14 2.62 1.01 -1.26 -4.75 120.40 118.20 1uy1 s VAL 80 Ca 0.24 -1.19 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 1uy1 s VAL 80 Cb 0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 1uy1 s VAL 80 CO 0.20 -0.09 1.52 0.20 0.00 0.00 0.00 175.10 176.93 1uy1 s ASN 81 N -1.46 6.66 0.20 3.32 0.01 -1.26 -4.16 114.94 118.25 1uy1 s ASN 81 Ca 0.01 2.51 -0.16 0.00 -0.71 0.00 0.00 52.86 54.51 1uy1 s ASN 81 Cb -0.09 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.00 1uy1 s ASN 81 CO 0.02 -0.78 0.48 0.28 -1.51 0.00 0.00 177.10 175.59 1uy1 s THR 82 N 1.28 0.03 0.08 1.60 -1.32 -0.01 -4.97 115.64 112.33 1uy1 s THR 82 Ca 0.69 -0.97 0.04 0.00 -1.21 0.00 0.00 61.69 60.23 1uy1 s THR 82 Cb -0.41 -1.71 -0.03 0.00 -1.51 0.00 0.00 72.50 68.84 1uy1 s THR 82 CO 0.31 -0.14 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.54 1uy1 s SER 83 N -2.91 1.42 -0.16 8.08 1.04 -1.26 -0.31 113.70 119.61 1uy1 s SER 83 Ca 0.12 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 1uy1 s SER 83 Cb -0.00 -0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.16 1uy1 s SER 83 CO -0.01 -0.21 -0.04 -0.63 0.98 0.00 0.00 173.24 173.33 1uy1 s ILE 84 N -2.04 0.99 0.34 -1.02 1.01 0.17 -1.80 121.20 118.84 1uy1 s ILE 84 Ca 0.02 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 1uy1 s ILE 84 Cb -0.05 -1.18 -0.09 0.00 0.01 0.00 0.00 42.46 41.14 1uy1 s ILE 84 CO 0.01 0.12 1.09 -1.10 0.00 0.00 0.00 174.94 175.06 1uy1 s GLN 85 N 1.69 4.37 -0.25 2.79 -0.21 -0.05 -0.20 119.66 127.80 1uy1 s GLN 85 Ca 0.01 1.69 -0.03 0.00 0.02 0.00 0.00 55.36 57.05 1uy1 s GLN 85 Cb -0.15 -2.86 0.02 0.00 1.00 0.00 0.00 33.01 31.02 1uy1 s GLN 85 CO -0.08 -0.00 -0.03 0.42 -2.12 0.00 0.00 175.29 173.48 1uy1 s ILE 86 N -1.39 3.15 0.09 1.08 1.09 0.23 -1.35 121.20 124.10 1uy1 s ILE 86 Ca 0.51 -0.88 0.09 0.00 -1.10 0.00 0.00 60.65 59.27 1uy1 s ILE 86 Cb -0.28 -2.58 -0.04 0.00 -1.06 0.00 0.00 42.46 38.51 1uy1 s ILE 86 CO 0.35 0.21 -0.20 -0.13 -0.10 0.00 0.00 174.94 175.08 1uy1 s ARG 87 N 1.38 1.82 0.07 2.79 1.81 -0.14 -0.31 118.95 126.38 1uy1 s ARG 87 Ca 0.02 -1.14 -0.09 0.00 -1.72 0.00 0.00 55.73 52.79 1uy1 s ARG 87 Cb -0.16 -2.10 -0.06 0.00 -0.45 0.00 0.00 34.95 32.18 1uy1 s ARG 87 CO -0.03 0.50 0.39 0.45 -0.68 0.00 0.00 175.30 175.92 1uy1 s SER 88 N -1.86 6.62 0.00 0.23 0.15 -0.22 -0.99 113.70 117.63 1uy1 s SER 88 Ca 0.16 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1uy1 s SER 88 Cb -0.10 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1uy1 s SER 88 CO 0.08 0.18 0.00 0.47 1.20 0.00 0.00 173.24 175.16 1uy1 n ASP 89 N 0.89 0.00 -3.73 5.45 8.00 0.20 -3.19 116.55 124.18 1uy1 n ASP 89 Ca -0.08 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.39 1uy1 n ASP 89 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1uy1 n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1uy1 s SER 90 N 0.00 -0.16 0.58 -2.24 1.04 -1.26 -4.76 113.70 106.90 1uy1 s SER 90 Ca 0.00 -0.39 0.27 0.00 0.48 0.00 0.00 55.95 56.31 1uy1 s SER 90 Cb 0.00 0.46 1.63 0.00 0.10 0.00 0.00 66.02 68.21 1uy1 s SER 90 CO 0.00 -0.85 2.15 -0.65 0.98 0.00 0.00 173.24 174.87 1uy1 h PRO 91 N 2.00 0.00 -0.46 4.02 0.11 -1.94 -1.51 132.00 134.23 1uy1 h PRO 91 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1uy1 h PRO 91 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uy1 h PRO 91 CO 0.26 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.30 1uy1 n THR 92 N -3.97 1.24 -1.00 -1.15 -2.24 -1.26 -4.99 114.28 100.91 1uy1 n THR 92 Ca 0.00 -1.12 -0.11 0.00 -2.27 0.00 0.00 64.05 60.55 1uy1 n THR 92 Cb 0.24 0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.93 1uy1 n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy1 n GLY 93 N 0.72 -1.95 3.70 3.38 0.00 -0.57 -4.93 105.19 105.54 1uy1 n GLY 93 Ca 0.17 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1uy1 n GLY 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uy1 n THR 94 N -3.04 0.19 -2.15 2.61 -1.04 -1.19 -4.61 114.28 105.06 1uy1 n THR 94 Ca 0.06 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1uy1 n THR 94 Cb 0.21 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.70 1uy1 n THR 94 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1uy1 s LEU 95 N 1.97 3.47 0.11 -4.42 2.96 -1.26 -1.06 118.68 120.45 1uy1 s LEU 95 Ca 0.79 0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 55.56 1uy1 s LEU 95 Cb -0.52 -3.28 -0.18 0.00 0.50 0.00 0.00 46.19 42.71 1uy1 s LEU 95 CO 0.36 -1.76 1.24 -0.07 -1.32 0.00 0.00 176.35 174.79 1uy1 h LEU 96 N 13.73 0.38 0.00 -0.68 3.38 -1.02 -3.46 115.31 127.65 1uy1 h LEU 96 Ca -0.30 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1uy1 h LEU 96 Cb 1.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1uy1 h LEU 96 CO 1.10 1.23 0.00 0.61 0.09 0.00 0.00 178.44 181.47 1uy1 n GLY 97 N 1.26 -0.41 2.96 0.83 0.00 -1.16 -1.33 105.19 107.33 1uy1 n GLY 97 Ca -0.06 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1uy1 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uy1 s THR 98 N -2.00 0.97 -0.26 2.61 2.01 -1.26 -0.60 115.64 117.11 1uy1 s THR 98 Ca 0.00 -0.34 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 1uy1 s THR 98 Cb 0.00 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1uy1 s THR 98 CO 0.00 0.33 0.55 -0.22 -0.69 0.00 0.00 174.62 174.59 1uy1 s LEU 99 N 1.05 4.06 -0.25 4.42 2.96 0.72 -4.91 118.68 126.73 1uy1 s LEU 99 Ca -0.08 0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 54.29 1uy1 s LEU 99 Cb -0.14 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 1uy1 s LEU 99 CO -0.01 -0.32 0.19 -0.31 -1.32 0.00 0.00 176.35 174.59 1uy1 s TYR 100 N 2.38 3.29 -0.18 5.38 2.02 -1.26 -0.66 117.35 128.32 1uy1 s TYR 100 Ca 0.23 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 1uy1 s TYR 100 Cb -0.16 -2.32 0.03 0.00 -0.40 0.00 0.00 41.96 39.11 1uy1 s TYR 100 CO 0.09 -0.00 -0.17 0.08 -1.57 0.00 0.00 175.55 173.97 1uy1 s VAL 101 N 1.28 1.95 0.56 0.71 1.01 0.58 -4.98 120.40 121.51 1uy1 s VAL 101 Ca 0.08 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1uy1 s VAL 101 Cb -0.14 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1uy1 s VAL 101 CO 0.06 0.44 0.79 -0.94 0.00 0.00 0.00 175.10 175.45 1uy1 s SER 102 N 1.32 5.18 0.17 3.32 1.04 -1.26 -0.82 113.70 122.64 1uy1 s SER 102 Ca 0.03 -0.12 -0.34 0.00 0.48 0.00 0.00 55.95 56.00 1uy1 s SER 102 Cb -0.14 -0.70 -0.15 0.00 0.10 0.00 0.00 66.02 65.13 1uy1 s SER 102 CO -0.11 -1.21 1.35 -0.24 0.98 0.00 0.00 173.24 174.00 1uy1 n SER 103 N -2.36 2.09 -0.30 7.02 2.88 -1.26 -4.80 113.62 116.89 1uy1 n SER 103 Ca 0.09 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.88 1uy1 n SER 103 Cb 0.60 -1.30 0.30 0.00 -0.75 0.00 0.00 64.21 63.06 1uy1 n SER 103 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1uy1 n THR 104 N 2.21 0.00 0.00 2.46 -2.24 -0.03 -4.97 114.28 111.71 1uy1 n THR 104 Ca 0.15 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1uy1 n THR 104 Cb 0.26 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1uy1 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy1 n GLY 105 N 1.35 1.52 3.66 3.38 0.00 -1.24 -4.83 105.19 109.04 1uy1 n GLY 105 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1uy1 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uy1 s SER 106 N -0.50 -0.28 0.13 1.61 1.04 -1.26 -4.98 113.70 109.45 1uy1 s SER 106 Ca 0.00 -0.26 0.17 0.00 0.48 0.00 0.00 55.95 56.34 1uy1 s SER 106 Cb 0.00 0.49 0.75 0.00 0.10 0.00 0.00 66.02 67.36 1uy1 s SER 106 CO 0.00 -0.86 1.53 0.79 0.98 0.00 0.00 173.24 175.68 1uy1 n TRP 107 N -0.39 0.39 -0.04 5.02 7.02 -1.26 -2.30 117.44 125.88 1uy1 n TRP 107 Ca -0.08 0.16 0.03 0.00 -1.02 0.00 0.00 57.50 56.59 1uy1 n TRP 107 Cb 0.61 -0.76 0.07 0.00 -2.42 0.00 0.00 31.31 28.82 1uy1 n TRP 107 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1uy1 n ASN 108 N -1.86 2.33 -4.34 -0.99 4.13 -1.26 -4.75 115.26 108.52 1uy1 n ASN 108 Ca 0.02 -1.87 -0.45 0.00 1.68 0.00 0.00 54.58 53.96 1uy1 n ASN 108 Cb 0.16 -0.10 -0.05 0.00 -1.54 0.00 0.00 39.78 38.25 1uy1 n ASN 108 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1uy1 s THR 109 N -0.91 5.08 0.28 3.41 2.01 -0.97 -4.76 115.64 119.78 1uy1 s THR 109 Ca 0.12 -1.28 -0.19 0.00 0.31 0.00 0.00 61.69 60.65 1uy1 s THR 109 Cb 0.06 -4.37 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 1uy1 s THR 109 CO 0.08 -0.92 0.76 -0.31 -0.69 0.00 0.00 174.62 173.54 1uy1 s TYR 110 N 1.97 3.53 -0.01 4.92 1.51 -1.26 -4.29 117.35 123.72 1uy1 s TYR 110 Ca 0.06 1.37 0.00 0.00 -1.01 0.00 0.00 57.07 57.49 1uy1 s TYR 110 Cb -0.27 -2.63 0.01 0.00 -0.11 0.00 0.00 41.96 38.96 1uy1 s TYR 110 CO 0.05 0.21 0.01 1.21 -1.11 0.00 0.00 175.55 175.92 1uy1 s ASN 111 N -1.90 0.03 -0.12 2.29 3.04 0.37 -4.91 114.94 113.73 1uy1 s ASN 111 Ca 0.49 0.01 -0.29 0.00 0.04 0.00 0.00 52.86 53.10 1uy1 s ASN 111 Cb -0.14 -0.02 -0.01 0.00 -1.54 0.00 0.00 41.25 39.54 1uy1 s ASN 111 CO 0.19 -0.04 1.08 -0.89 -3.04 0.00 0.00 177.10 174.41 1uy1 s THR 112 N 0.31 4.59 -0.02 -5.21 2.01 -1.26 -1.15 115.64 114.90 1uy1 s THR 112 Ca -0.03 1.88 0.04 0.00 0.31 0.00 0.00 61.69 63.90 1uy1 s THR 112 Cb -0.04 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 1uy1 s THR 112 CO -0.01 -0.04 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.04 1uy1 s VAL 113 N 2.41 1.23 0.11 3.82 1.01 0.14 -4.98 120.40 124.15 1uy1 s VAL 113 Ca 0.50 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1uy1 s VAL 113 Cb -0.20 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1uy1 s VAL 113 CO 0.16 0.35 -0.14 -0.94 0.00 0.00 0.00 175.10 174.53 1uy1 s SER 114 N -0.21 1.96 0.10 3.32 1.04 -1.26 -1.03 113.70 117.62 1uy1 s SER 114 Ca 0.03 -0.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 1uy1 s SER 114 Cb -0.08 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1uy1 s SER 114 CO 0.00 -0.13 0.16 0.28 0.98 0.00 0.00 173.24 174.53 1uy1 s THR 115 N -1.99 0.14 0.47 2.02 -1.32 0.22 -4.93 115.64 110.24 1uy1 s THR 115 Ca 0.07 -1.37 -0.21 0.00 -1.21 0.00 0.00 61.69 58.96 1uy1 s THR 115 Cb -0.06 -1.51 -0.08 0.00 -1.51 0.00 0.00 72.50 69.34 1uy1 s THR 115 CO 0.03 -0.63 1.08 0.54 -2.21 0.00 0.00 174.62 173.42 1uy1 s ASN 116 N -2.90 6.31 0.14 8.08 4.22 -1.26 -1.33 114.94 128.19 1uy1 s ASN 116 Ca 0.09 2.06 0.03 0.00 -2.14 0.00 0.00 52.86 52.91 1uy1 s ASN 116 Cb 0.05 -2.58 -0.04 0.00 1.28 0.00 0.00 41.25 39.96 1uy1 s ASN 116 CO -0.08 -0.81 -0.08 0.27 -2.04 0.00 0.00 177.10 174.36 1uy1 s ILE 117 N -1.79 0.99 0.48 0.54 -4.36 -0.23 -4.59 121.20 112.24 1uy1 s ILE 117 Ca 0.65 -2.02 -0.24 0.00 -0.26 0.00 0.00 60.65 58.79 1uy1 s ILE 117 Cb -0.21 -1.82 -0.07 0.00 1.25 0.00 0.00 42.46 41.60 1uy1 s ILE 117 CO 0.25 -0.76 1.36 -0.94 0.24 0.00 0.00 174.94 175.09 1uy1 s SER 118 N -3.13 5.75 0.12 4.36 1.04 -0.44 -4.56 113.70 116.84 1uy1 s SER 118 Ca 0.16 2.77 -0.31 0.00 0.48 0.00 0.00 55.95 59.05 1uy1 s SER 118 Cb 0.04 -2.64 -0.10 0.00 0.10 0.00 0.00 66.02 63.42 1uy1 s SER 118 CO -0.01 -1.24 1.78 -0.75 0.98 0.00 0.00 173.24 174.00 1uy1 s LYS 119 N -2.60 4.15 -0.02 4.02 2.20 -1.26 -4.72 119.74 121.52 1uy1 s LYS 119 Ca 0.64 2.54 0.07 0.00 -0.36 0.00 0.00 55.97 58.86 1uy1 s LYS 119 Cb -0.40 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1uy1 s LYS 119 CO 0.50 -0.81 -0.23 -1.50 -0.36 0.00 0.00 175.35 172.95 1uy1 s ILE 120 N 2.61 1.83 0.26 5.43 2.07 -0.99 -4.95 121.20 127.46 1uy1 s ILE 120 Ca 0.79 -0.98 0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1uy1 s ILE 120 Cb -0.45 -1.52 -0.06 0.00 0.13 0.00 0.00 42.46 40.57 1uy1 s ILE 120 CO 0.35 0.52 -0.00 0.42 -1.91 0.00 0.00 174.94 174.32 1uy1 s THR 121 N -0.49 1.20 0.00 4.00 -4.23 -1.26 -1.65 115.64 113.22 1uy1 s THR 121 Ca 0.07 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1uy1 s THR 121 Cb -0.09 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1uy1 s THR 121 CO -0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1uy1 n GLY 122 N -0.52 -0.78 3.51 3.99 0.00 -0.72 -4.81 105.19 105.86 1uy1 n GLY 122 Ca -0.04 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1uy1 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uy1 s VAL 123 N 0.00 4.49 -0.01 1.61 1.01 -1.26 -1.06 120.40 125.19 1uy1 s VAL 123 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1uy1 s VAL 123 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1uy1 s VAL 123 CO 0.00 0.37 0.13 -1.00 0.00 0.00 0.00 175.10 174.60 1uy1 s HIS 124 N 1.26 0.02 0.66 5.22 4.02 -0.17 -4.92 115.29 121.39 1uy1 s HIS 124 Ca 0.05 -0.06 -0.17 0.00 1.02 0.00 0.00 55.06 55.90 1uy1 s HIS 124 Cb -0.15 -0.04 0.00 0.00 -1.02 0.00 0.00 32.58 31.38 1uy1 s HIS 124 CO 0.04 -0.25 1.20 -0.51 1.02 0.00 0.00 174.74 176.24 1uy1 s ASP 125 N -1.16 4.73 -0.07 1.40 1.11 -1.26 -0.97 116.67 120.45 1uy1 s ASP 125 Ca -0.12 2.35 0.04 0.00 0.18 0.00 0.00 52.55 55.00 1uy1 s ASP 125 Cb -0.07 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.33 1uy1 s ASP 125 CO 0.01 -1.91 -0.21 -0.63 1.18 0.00 0.00 175.17 173.61 1uy1 s ILE 126 N -1.82 1.81 -0.15 0.77 -1.09 -0.23 -0.63 121.20 119.86 1uy1 s ILE 126 Ca 0.75 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 1uy1 s ILE 126 Cb -0.29 -1.56 0.01 0.00 -1.58 0.00 0.00 42.46 39.04 1uy1 s ILE 126 CO 0.39 0.51 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.73 1uy1 s VAL 127 N 0.19 2.27 -0.16 2.92 1.01 -0.16 -0.23 120.40 126.24 1uy1 s VAL 127 Ca -0.11 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 1uy1 s VAL 127 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1uy1 s VAL 127 CO 0.05 0.53 0.35 -0.76 0.00 0.00 0.00 175.10 175.27 1uy1 s LEU 128 N 0.93 4.23 -0.20 3.92 1.43 0.09 -0.96 118.68 128.12 1uy1 s LEU 128 Ca -0.04 0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1uy1 s LEU 128 Cb -0.15 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1uy1 s LEU 128 CO -0.04 0.05 -0.14 -0.69 0.23 0.00 0.00 176.35 175.76 1uy1 s VAL 129 N 0.63 2.44 -0.13 -1.59 1.01 -0.45 -1.00 120.40 121.31 1uy1 s VAL 129 Ca 0.19 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1uy1 s VAL 129 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1uy1 s VAL 129 CO 0.06 0.44 0.17 -0.36 0.00 0.00 0.00 175.10 175.40 1uy1 s PHE 130 N 1.32 3.56 -2.45 5.22 0.08 -0.22 -0.87 117.98 124.63 1uy1 s PHE 130 Ca 0.04 0.52 0.25 0.00 0.12 0.00 0.00 56.93 57.86 1uy1 s PHE 130 Cb -0.14 -2.04 0.53 0.00 -0.57 0.00 0.00 43.02 40.80 1uy1 s PHE 130 CO -0.09 0.60 1.44 -1.13 -0.10 0.00 0.00 175.22 175.94 1uy1 n SER 131 N 2.41 2.00 0.00 1.36 3.41 -0.75 -0.87 113.62 121.18 1uy1 n SER 131 Ca -0.18 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1uy1 n SER 131 Cb 0.54 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1uy1 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy1 n GLY 132 N 1.30 -1.64 3.71 5.00 0.00 -1.26 -4.34 105.19 107.97 1uy1 n GLY 132 Ca 0.14 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1uy1 n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uy1 s PRO 133 N -1.74 4.29 -0.08 1.61 0.04 -1.23 -4.59 135.00 133.31 1uy1 s PRO 133 Ca 0.00 2.16 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 1uy1 s PRO 133 Cb 0.00 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.35 1uy1 s PRO 133 CO 0.00 -0.50 0.51 0.54 0.04 0.00 0.00 177.00 177.59 1uy1 s VAL 134 N 1.18 0.02 -0.16 -0.36 0.11 -1.26 -4.74 120.40 115.19 1uy1 s VAL 134 Ca 0.66 -0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.47 1uy1 s VAL 134 Cb -0.39 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1uy1 s VAL 134 CO 0.30 -0.09 0.11 0.20 -3.33 0.00 0.00 175.10 172.29 1uy1 s ASN 135 N -0.83 6.04 -0.12 3.54 0.01 0.28 -4.58 114.94 119.29 1uy1 s ASN 135 Ca -0.09 0.27 0.02 0.00 -0.71 0.00 0.00 52.86 52.35 1uy1 s ASN 135 Cb -0.03 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.65 1uy1 s ASN 135 CO 0.05 0.28 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.06 1uy1 s VAL 136 N -0.23 1.68 -0.19 1.60 1.01 -0.42 -1.02 120.40 122.82 1uy1 s VAL 136 Ca 0.10 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1uy1 s VAL 136 Cb -0.12 -1.51 -0.14 0.00 0.00 0.00 0.00 36.38 34.61 1uy1 s VAL 136 CO 0.01 0.48 0.08 -0.67 0.00 0.00 0.00 175.10 174.99 1uy1 n ASP 137 N 4.19 1.85 -3.51 3.32 -0.08 0.04 -0.88 116.55 121.48 1uy1 n ASP 137 Ca -0.19 0.49 -0.08 0.00 -1.51 0.00 0.00 54.79 53.49 1uy1 n ASP 137 Cb 0.51 -0.93 -0.01 0.00 2.34 0.00 0.00 41.12 43.03 1uy1 n ASP 137 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1uy1 s ASN 138 N -6.52 -0.11 0.25 1.67 6.03 -1.24 -1.77 114.94 113.24 1uy1 s ASN 138 Ca -0.25 -0.86 -0.21 0.00 -1.03 0.00 0.00 52.86 50.52 1uy1 s ASN 138 Cb 0.05 0.76 0.03 0.00 -3.03 0.00 0.00 41.25 39.06 1uy1 s ASN 138 CO 0.47 -1.46 0.67 0.72 -2.03 0.00 0.00 177.10 175.48 1uy1 s PHE 139 N -3.32 -0.24 0.02 1.54 -0.71 -0.35 -1.35 117.98 113.57 1uy1 s PHE 139 Ca 0.14 -0.15 -0.28 0.00 -1.04 0.00 0.00 56.93 55.60 1uy1 s PHE 139 Cb -0.05 0.63 0.07 0.00 -1.21 0.00 0.00 43.02 42.46 1uy1 s PHE 139 CO 0.09 -1.12 0.64 -1.50 -1.34 0.00 0.00 175.22 171.99 1uy1 s ILE 140 N -3.88 0.00 0.22 -4.49 2.07 -0.13 -0.78 121.20 114.20 1uy1 s ILE 140 Ca 0.09 -0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1uy1 s ILE 140 Cb -0.04 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 1uy1 s ILE 140 CO 0.02 -0.01 0.27 -0.36 -1.91 0.00 0.00 174.94 172.94 1uy1 s PHE 141 N -2.05 3.32 -0.04 3.50 0.08 -0.56 -1.01 117.98 121.22 1uy1 s PHE 141 Ca -0.07 -0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.02 1uy1 s PHE 141 Cb -0.00 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1uy1 s PHE 141 CO 0.02 0.49 -0.20 -1.54 -0.10 0.00 0.00 175.22 173.89 1uy1 s SER 142 N -3.68 3.58 0.50 1.36 1.04 -0.17 -4.57 113.70 111.76 1uy1 s SER 142 Ca 0.33 -0.33 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 1uy1 s SER 142 Cb -0.09 -0.65 -0.07 0.00 0.10 0.00 0.00 66.02 65.30 1uy1 s SER 142 CO 0.27 0.33 1.08 0.00 0.98 0.00 0.00 173.24 175.90 1uy1 s ARG 143 N -0.63 3.65 0.68 4.02 1.70 -1.26 -1.00 118.95 126.11 1uy1 s ARG 143 Ca 0.10 1.49 -0.15 0.00 -0.47 0.00 0.00 55.73 56.69 1uy1 s ARG 143 Cb -0.11 -2.10 0.01 0.00 -0.57 0.00 0.00 34.95 32.18 1uy1 s ARG 143 CO 0.00 -0.58 1.14 -1.54 -1.08 0.00 0.00 175.30 173.25 1uy1 s SER 144 N -1.84 4.81 0.00 -2.89 1.04 -0.60 -4.37 113.70 109.85 1uy1 s SER 144 Ca 0.69 2.13 0.28 0.00 0.48 0.00 0.00 55.95 59.53 1uy1 s SER 144 Cb -0.20 -2.57 1.09 0.00 0.10 0.00 0.00 66.02 64.44 1uy1 s SER 144 CO 0.24 -1.83 1.77 -0.24 0.98 0.00 0.00 173.24 174.15