#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuz s SER 2 N 0.00 6.54 0.16 1.61 0.15 -1.26 -4.98 113.70 115.92 2yuz s SER 2 Ca 0.00 -1.93 -0.09 0.00 0.70 0.00 0.00 55.95 54.63 2yuz s SER 2 Cb 0.00 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2yuz s SER 2 CO 0.00 -1.05 0.28 -0.55 1.20 0.00 0.00 173.24 173.12 2yuz s SER 3 N 3.44 0.04 0.00 5.45 0.15 -1.26 -5.01 113.70 116.51 2yuz s SER 3 Ca 0.27 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2yuz s SER 3 Cb -0.09 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2yuz s SER 3 CO -0.05 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.11 2yuz n GLY 4 N -0.21 0.86 3.58 9.45 0.00 -1.26 -5.14 105.19 112.47 2yuz n GLY 4 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2yuz n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuz s SER 5 N -1.26 -0.70 -0.73 1.61 0.01 -1.26 -5.05 113.70 106.31 2yuz s SER 5 Ca 0.00 1.35 -0.01 0.00 1.31 0.00 0.00 55.95 58.60 2yuz s SER 5 Cb 0.00 1.36 0.40 0.00 0.21 0.00 0.00 66.02 67.99 2yuz s SER 5 CO 0.00 -0.23 1.94 -1.20 0.41 0.00 0.00 173.24 174.16 2yuz n SER 6 N 2.75 7.32 -0.22 2.44 7.64 -1.26 -4.89 113.62 127.40 2yuz n SER 6 Ca -0.14 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 55.93 2yuz n SER 6 Cb 0.55 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2yuz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuz n GLY 7 N -0.68 -0.16 2.57 0.23 0.00 -1.26 -4.99 105.19 100.90 2yuz n GLY 7 Ca 0.56 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2yuz n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yuz n LEU 8 N 0.00 -0.91 -3.72 0.99 7.94 -1.26 -4.95 117.00 115.08 2yuz n LEU 8 Ca 0.00 0.86 -0.26 0.00 -1.11 0.00 0.00 56.01 55.49 2yuz n LEU 8 Cb 0.00 -0.72 -0.17 0.00 0.53 0.00 0.00 43.42 43.06 2yuz n LEU 8 CO 0.00 -2.23 -0.36 -0.75 -1.11 0.00 0.00 177.39 172.93 2yuz s LYS 9 N -0.73 0.54 0.17 1.96 2.47 -1.26 -5.05 119.74 117.84 2yuz s LYS 9 Ca 0.49 -0.24 -0.32 0.00 -1.56 0.00 0.00 55.97 54.35 2yuz s LYS 9 Cb -0.71 -1.79 -0.11 0.00 -1.46 0.00 0.00 37.83 33.76 2yuz s LYS 9 CO 0.42 -0.57 1.69 0.42 0.16 0.00 0.00 175.35 177.47 2yuz s ILE 10 N 1.93 2.39 -0.20 5.43 -1.09 -1.26 -3.14 121.20 125.26 2yuz s ILE 10 Ca 0.01 0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.47 2yuz s ILE 10 Cb -0.16 -3.13 -0.11 0.00 -1.58 0.00 0.00 42.46 37.49 2yuz s ILE 10 CO -0.07 0.01 -0.13 0.18 -1.23 0.00 0.00 174.94 173.69 2yuz n LEU 11 N 4.43 1.89 -3.72 2.97 4.77 -0.25 -4.82 117.00 122.26 2yuz n LEU 11 Ca 0.16 0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 56.28 2yuz n LEU 11 Cb 0.37 -0.86 -0.12 0.00 -2.33 0.00 0.00 43.42 40.47 2yuz n LEU 11 CO 0.63 0.07 -0.21 -0.89 -1.33 0.00 0.00 177.39 175.66 2yuz s THR 12 N -2.47 1.63 0.71 -5.08 2.01 -0.62 -4.95 115.64 106.88 2yuz s THR 12 Ca -0.28 -2.96 -0.13 0.00 0.31 0.00 0.00 61.69 58.63 2yuz s THR 12 Cb 0.07 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.48 2yuz s THR 12 CO 0.44 -0.96 1.10 -2.16 -0.69 0.00 0.00 174.62 172.36 2yuz s PRO 13 N -0.09 2.56 0.84 4.92 0.04 -1.26 -0.60 135.00 141.40 2yuz s PRO 13 Ca 0.21 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 2yuz s PRO 13 Cb -0.17 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.54 2yuz s PRO 13 CO -0.06 -1.43 1.11 1.28 0.04 0.00 0.00 177.00 177.95 2yuz n LEU 14 N -2.91 3.77 -4.41 -3.56 4.77 -1.26 -4.89 117.00 108.51 2yuz n LEU 14 Ca 0.10 0.54 -0.20 0.00 -0.03 0.00 0.00 56.01 56.41 2yuz n LEU 14 Cb 0.52 -1.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.04 2yuz n LEU 14 CO 0.50 -1.97 -0.35 0.42 -1.33 0.00 0.00 177.39 174.66 2yuz s THR 15 N -2.23 1.50 -0.11 -5.08 -4.23 -1.26 -4.89 115.64 99.33 2yuz s THR 15 Ca 0.71 -2.10 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 2yuz s THR 15 Cb -0.28 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 2yuz s THR 15 CO 0.54 -0.29 1.65 1.51 -0.54 0.00 0.00 174.62 177.48 2yuz s ASP 16 N -3.42 6.56 -0.16 3.99 1.47 -1.26 -4.60 116.67 119.25 2yuz s ASP 16 Ca 0.29 2.04 0.01 0.00 1.18 0.00 0.00 52.55 56.08 2yuz s ASP 16 Cb 0.04 -2.53 0.02 0.00 -0.34 0.00 0.00 42.92 40.11 2yuz s ASP 16 CO 0.11 -1.05 -0.19 -1.10 0.68 0.00 0.00 175.17 173.63 2yuz s GLN 17 N 4.27 2.80 -0.14 2.11 -0.21 -1.03 -5.01 119.66 122.46 2yuz s GLN 17 Ca 0.73 -0.76 0.02 0.00 0.02 0.00 0.00 55.36 55.38 2yuz s GLN 17 Cb -0.31 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.33 2yuz s GLN 17 CO 0.29 -0.15 -0.21 0.99 -2.12 0.00 0.00 175.29 174.09 2yuz s THR 18 N 1.17 2.01 0.22 -0.19 2.01 -1.26 -3.55 115.64 116.04 2yuz s THR 18 Ca 0.01 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.07 2yuz s THR 18 Cb -0.14 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 2yuz s THR 18 CO -0.08 0.54 0.06 0.68 -0.69 0.00 0.00 174.62 175.13 2yuz s VAL 19 N 0.84 0.55 1.18 3.82 -7.23 -1.13 -5.02 120.40 113.41 2yuz s VAL 19 Ca -0.07 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 57.92 2yuz s VAL 19 Cb -0.15 -2.40 0.28 0.00 0.56 0.00 0.00 36.38 34.67 2yuz s VAL 19 CO -0.02 -0.21 1.14 0.20 -0.31 0.00 0.00 175.10 175.90 2yuz s ASN 20 N -3.24 1.17 -0.25 4.85 -0.87 -1.26 -2.14 114.94 113.21 2yuz s ASN 20 Ca 0.32 0.56 -0.29 0.00 -1.57 0.00 0.00 52.86 51.87 2yuz s ASN 20 Cb 0.07 -0.75 0.00 0.00 -0.02 0.00 0.00 41.25 40.55 2yuz s ASN 20 CO 0.09 -3.96 1.17 -0.22 -2.57 0.00 0.00 177.10 171.61 2yuz s LEU 21 N -6.81 4.04 0.00 0.60 2.96 -0.17 -3.25 118.68 116.05 2yuz s LEU 21 Ca 0.72 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 2yuz s LEU 21 Cb -0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.07 2yuz s LEU 21 CO 0.56 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 2yuz n GLY 22 N 3.75 2.19 3.23 7.98 0.00 0.30 -4.87 105.19 117.76 2yuz n GLY 22 Ca 0.13 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2yuz n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuz n LYS 23 N 0.00 -0.90 -3.21 1.61 4.76 -1.20 -2.54 118.16 116.68 2yuz n LYS 23 Ca 0.00 -0.25 -0.44 0.00 -2.87 0.00 0.00 58.31 54.75 2yuz n LYS 23 Cb 0.00 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.59 2yuz n LYS 23 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2yuz s GLU 24 N -3.09 3.05 0.66 1.97 2.12 -1.26 0.12 118.70 122.28 2yuz s GLU 24 Ca 0.51 -1.21 -0.15 0.00 0.36 0.00 0.00 54.97 54.48 2yuz s GLU 24 Cb -0.10 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 30.11 2yuz s GLU 24 CO 0.68 -1.29 1.12 0.42 -0.54 0.00 0.00 175.26 175.64 2yuz s ILE 25 N 2.33 3.19 0.01 -3.70 1.01 -1.16 -4.85 121.20 118.02 2yuz s ILE 25 Ca 0.10 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 61.13 2yuz s ILE 25 Cb -0.23 -3.08 0.03 0.00 0.01 0.00 0.00 42.46 39.19 2yuz s ILE 25 CO 0.08 -0.34 0.37 0.00 0.00 0.00 0.00 174.94 175.05 2yuz s LEU 27 N -1.60 -0.95 0.05 0.00 1.43 0.72 -4.94 118.68 113.39 2yuz s LEU 27 Ca -0.10 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2yuz s LEU 27 Cb -0.03 1.70 -0.04 0.00 0.03 0.00 0.00 46.19 47.85 2yuz s LEU 27 CO 0.02 -0.26 0.14 -0.75 0.23 0.00 0.00 176.35 175.73 2yuz s LYS 28 N 2.72 3.17 0.04 1.70 2.20 -1.26 -0.76 119.74 127.55 2yuz s LYS 28 Ca 0.08 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 2yuz s LYS 28 Cb -0.14 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2yuz s LYS 28 CO -0.17 0.61 0.08 0.00 -0.36 0.00 0.00 175.35 175.51 2yuz s GLU 30 N -2.67 0.03 0.33 0.00 2.12 0.23 -0.16 118.70 118.58 2yuz s GLU 30 Ca -0.04 0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.44 2yuz s GLU 30 Cb -0.01 -0.23 -0.06 0.00 0.26 0.00 0.00 34.13 34.09 2yuz s GLU 30 CO -0.05 -0.12 0.07 0.96 -0.54 0.00 0.00 175.26 175.58 2yuz s ILE 31 N 0.80 1.02 -0.37 -3.70 -4.36 -0.80 -1.09 121.20 112.70 2yuz s ILE 31 Ca -0.07 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.40 2yuz s ILE 31 Cb -0.10 -2.72 0.62 0.00 1.25 0.00 0.00 42.46 41.51 2yuz s ILE 31 CO -0.02 0.00 1.63 -1.54 0.24 0.00 0.00 174.94 175.25 2yuz n SER 32 N -0.73 4.32 -3.81 4.36 3.41 -1.19 -4.70 113.62 115.28 2yuz n SER 32 Ca -0.02 -3.01 -0.12 0.00 -0.26 0.00 0.00 58.87 55.46 2yuz n SER 32 Cb 0.66 -0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 2yuz n SER 32 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2yuz s GLU 33 N -2.56 0.65 -0.91 4.33 0.41 -1.26 -4.89 118.70 114.48 2yuz s GLU 33 Ca 0.46 -0.43 -0.01 0.00 -0.41 0.00 0.00 54.97 54.58 2yuz s GLU 33 Cb 0.36 0.28 0.26 0.00 -1.78 0.00 0.00 34.13 33.25 2yuz s GLU 33 CO 0.11 -0.18 0.99 -1.71 -0.49 0.00 0.00 175.26 173.98 2yuz n ASN 34 N 1.02 4.81 -4.13 -0.19 5.15 -1.26 -3.95 115.26 116.71 2yuz n ASN 34 Ca -0.21 -3.28 -0.18 0.00 -0.60 0.00 0.00 54.58 50.32 2yuz n ASN 34 Cb 0.57 -1.05 -0.12 0.00 -0.53 0.00 0.00 39.78 38.65 2yuz n ASN 34 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2yuz s ILE 35 N -2.03 0.97 0.25 -1.44 -4.36 -1.26 -4.95 121.20 108.38 2yuz s ILE 35 Ca 0.32 -1.10 -0.30 0.00 -0.26 0.00 0.00 60.65 59.31 2yuz s ILE 35 Cb 0.01 -0.92 -0.09 0.00 1.25 0.00 0.00 42.46 42.71 2yuz s ILE 35 CO -0.03 -0.16 1.27 -2.16 0.24 0.00 0.00 174.94 174.10 2yuz s PRO 36 N -1.42 4.42 0.34 0.37 0.04 -1.26 -4.93 135.00 132.55 2yuz s PRO 36 Ca -0.02 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.12 2yuz s PRO 36 Cb -0.09 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2yuz s PRO 36 CO 0.01 -0.16 0.16 0.41 0.04 0.00 0.00 177.00 177.47 2yuz n GLY 37 N 1.76 3.26 3.01 0.56 0.00 -1.26 -2.52 105.19 110.00 2yuz n GLY 37 Ca 0.03 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 2yuz n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yuz s LYS 38 N -3.30 0.40 0.16 1.61 2.20 -0.95 -4.91 119.74 114.95 2yuz s LYS 38 Ca 0.23 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 2yuz s LYS 38 Cb 0.01 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 2yuz s LYS 38 CO 0.16 0.00 0.30 -1.58 -0.36 0.00 0.00 175.35 173.88 2yuz s TRP 39 N -1.30 3.48 -0.05 4.03 0.52 -1.26 -1.76 118.94 122.60 2yuz s TRP 39 Ca -0.12 0.13 -0.04 0.00 0.02 0.00 0.00 56.10 56.09 2yuz s TRP 39 Cb -0.09 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.57 2yuz s TRP 39 CO -0.00 0.49 0.13 0.95 0.02 0.00 0.00 176.95 178.54 2yuz s THR 40 N -1.78 -0.01 0.00 2.01 -4.23 0.22 -2.80 115.64 109.05 2yuz s THR 40 Ca 0.35 0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 2yuz s THR 40 Cb -0.11 -0.20 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 2yuz s THR 40 CO 0.29 0.02 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.46 2yuz s LYS 41 N 0.37 2.23 -1.01 3.99 2.36 0.57 0.62 119.74 128.86 2yuz s LYS 41 Ca -0.02 -0.87 -0.10 0.00 -2.55 0.00 0.00 55.97 52.42 2yuz s LYS 41 Cb -0.04 -2.24 0.10 0.00 -1.05 0.00 0.00 37.83 34.60 2yuz s LYS 41 CO -0.01 0.57 0.33 0.09 1.55 0.00 0.00 175.35 177.88 2yuz n ASN 42 N 1.91 -2.19 -2.01 1.43 3.02 0.10 0.86 115.26 118.37 2yuz n ASN 42 Ca -0.16 -0.32 -0.12 0.00 -0.03 0.00 0.00 54.58 53.95 2yuz n ASN 42 Cb 0.52 -1.90 0.04 0.00 -0.61 0.00 0.00 39.78 37.83 2yuz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuz n GLY 43 N -0.89 0.22 3.12 7.41 0.00 -1.26 -5.04 105.19 108.75 2yuz n GLY 43 Ca 0.03 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2yuz n GLY 43 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2yuz s LEU 44 N -4.09 1.52 -0.34 0.99 0.05 0.25 -5.12 118.68 111.95 2yuz s LEU 44 Ca 0.29 -0.22 -0.29 0.00 0.05 0.00 0.00 54.13 53.96 2yuz s LEU 44 Cb -0.13 0.72 -0.01 0.00 -2.05 0.00 0.00 46.19 44.72 2yuz s LEU 44 CO 0.36 -0.40 1.69 -2.16 -0.55 0.00 0.00 176.35 175.29 2yuz s PRO 45 N -1.54 3.44 0.17 1.48 0.04 -1.26 -0.32 135.00 137.02 2yuz s PRO 45 Ca -0.14 1.34 -0.32 0.00 0.04 0.00 0.00 61.00 61.93 2yuz s PRO 45 Cb -0.07 -4.14 -0.11 0.00 0.04 0.00 0.00 34.50 30.22 2yuz s PRO 45 CO 0.01 -1.72 1.69 0.08 0.04 0.00 0.00 177.00 177.10 2yuz s VAL 46 N 6.36 2.36 -0.35 -0.36 1.01 -1.12 -4.91 120.40 123.39 2yuz s VAL 46 Ca 0.75 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.67 2yuz s VAL 46 Cb -0.21 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.06 2yuz s VAL 46 CO 0.33 0.01 0.79 -1.10 0.00 0.00 0.00 175.10 175.13 2yuz s GLN 47 N 1.56 3.81 0.05 2.72 -0.21 -1.26 -4.93 119.66 121.41 2yuz s GLN 47 Ca 0.74 0.40 -0.30 0.00 0.02 0.00 0.00 55.36 56.22 2yuz s GLN 47 Cb -0.47 -3.79 -0.05 0.00 1.00 0.00 0.00 33.01 29.70 2yuz s GLN 47 CO 0.33 -0.81 1.18 -1.21 -2.12 0.00 0.00 175.29 172.65 2yuz s GLU 48 N 3.08 4.44 0.26 2.91 2.02 -1.26 -4.83 118.70 125.33 2yuz s GLU 48 Ca 0.32 1.73 -0.06 0.00 0.02 0.00 0.00 54.97 56.98 2yuz s GLU 48 Cb -0.13 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 2yuz s GLU 48 CO 0.16 -0.25 0.38 -1.12 0.02 0.00 0.00 175.26 174.45 2yuz s SER 49 N 1.08 0.28 0.30 -0.19 0.01 0.96 -4.96 113.70 111.19 2yuz s SER 49 Ca 0.58 -1.22 0.02 0.00 1.31 0.00 0.00 55.95 56.64 2yuz s SER 49 Cb -0.28 0.55 0.75 0.00 0.21 0.00 0.00 66.02 67.25 2yuz s SER 49 CO 0.29 -1.10 1.54 0.47 0.41 0.00 0.00 173.24 174.84 2yuz n ASP 50 N -0.65 -0.12 -0.04 2.44 8.00 -1.26 0.04 116.55 124.97 2yuz n ASP 50 Ca 0.00 1.67 -0.14 0.00 0.71 0.00 0.00 54.79 57.03 2yuz n ASP 50 Cb 0.63 -0.61 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 2yuz n ASP 50 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2yuz h ARG 51 N 0.00 0.23 -4.56 -1.24 0.11 -1.96 -3.41 114.38 103.55 2yuz h ARG 51 Ca 0.59 -0.16 -0.72 0.00 0.10 0.00 0.00 59.98 59.80 2yuz h ARG 51 Cb 1.22 0.03 -0.21 0.00 1.11 0.00 0.00 29.97 32.12 2yuz h ARG 51 CO -0.92 0.77 -0.07 -1.17 0.10 0.00 0.00 179.97 178.68 2yuz s LEU 52 N -8.88 5.48 -0.18 0.08 0.20 0.11 -2.22 118.68 113.26 2yuz s LEU 52 Ca -0.15 -1.33 -0.02 0.00 0.69 0.00 0.00 54.13 53.32 2yuz s LEU 52 Cb 0.03 -2.30 -0.00 0.00 -0.43 0.00 0.00 46.19 43.49 2yuz s LEU 52 CO 0.74 -0.90 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.05 2yuz s LYS 53 N 2.22 3.29 -0.52 1.98 2.47 -1.23 -0.03 119.74 127.93 2yuz s LYS 53 Ca 0.09 -0.69 -0.18 0.00 -1.56 0.00 0.00 55.97 53.63 2yuz s LYS 53 Cb -0.24 -2.79 0.08 0.00 -1.46 0.00 0.00 37.83 33.42 2yuz s LYS 53 CO 0.07 -0.08 0.55 0.08 0.16 0.00 0.00 175.35 176.14 2yuz s VAL 54 N 1.09 5.02 0.02 4.02 1.01 -1.26 -4.11 120.40 126.20 2yuz s VAL 54 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 2yuz s VAL 54 Cb -0.15 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 2yuz s VAL 54 CO -0.03 -0.81 0.49 -0.69 0.00 0.00 0.00 175.10 174.06 2yuz s VAL 55 N 2.21 4.91 -0.11 2.92 1.01 -1.06 -5.05 120.40 125.23 2yuz s VAL 55 Ca 0.09 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2yuz s VAL 55 Cb -0.23 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2yuz s VAL 55 CO 0.08 0.55 -0.11 -1.58 0.00 0.00 0.00 175.10 174.04 2yuz s GLN 56 N -0.98 3.13 0.12 2.72 0.74 -1.26 -2.73 119.66 121.41 2yuz s GLN 56 Ca 0.26 -0.64 0.06 0.00 0.05 0.00 0.00 55.36 55.09 2yuz s GLN 56 Cb -0.18 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 2yuz s GLN 56 CO 0.16 0.38 -0.15 0.15 -0.55 0.00 0.00 175.29 175.28 2yuz s LYS 57 N -0.06 1.01 -0.38 1.67 -0.14 0.78 -5.01 119.74 117.61 2yuz s LYS 57 Ca -0.02 -1.21 -0.40 0.00 -1.36 0.00 0.00 55.97 52.99 2yuz s LYS 57 Cb -0.14 -0.94 -0.15 0.00 -1.68 0.00 0.00 37.83 34.92 2yuz s LYS 57 CO 0.03 0.19 2.00 0.41 -0.76 0.00 0.00 175.35 177.22 2yuz n GLY 58 N 0.65 0.40 3.23 -3.33 0.00 -1.26 0.24 105.19 105.13 2yuz n GLY 58 Ca -0.16 0.99 -0.21 0.00 0.00 0.00 0.00 46.02 46.64 2yuz n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuz n ARG 59 N 6.82 -3.16 -3.66 1.61 1.74 -1.25 -4.92 116.66 113.84 2yuz n ARG 59 Ca 0.40 0.46 -0.12 0.00 -0.77 0.00 0.00 57.85 57.82 2yuz n ARG 59 Cb 0.10 -5.14 -0.08 0.00 -1.02 0.00 0.00 32.46 26.32 2yuz n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2yuz s ILE 60 N -2.85 -0.00 -0.12 0.55 1.01 0.14 -1.89 121.20 118.03 2yuz s ILE 60 Ca 0.34 0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2yuz s ILE 60 Cb -0.18 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2yuz s ILE 60 CO 0.42 0.00 -0.23 -1.00 0.00 0.00 0.00 174.94 174.14 2yuz s HIS 61 N 0.72 2.57 -0.03 3.97 3.76 0.77 -0.15 115.29 126.88 2yuz s HIS 61 Ca -0.03 -1.16 0.05 0.00 -0.15 0.00 0.00 55.06 53.77 2yuz s HIS 61 Cb -0.05 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.90 2yuz s HIS 61 CO -0.05 -0.50 -0.19 0.21 -0.85 0.00 0.00 174.74 173.36 2yuz s LYS 62 N 0.56 1.76 0.05 1.40 2.20 -1.10 0.15 119.74 124.75 2yuz s LYS 62 Ca -0.14 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 2yuz s LYS 62 Cb -0.17 -1.59 -0.03 0.00 -1.51 0.00 0.00 37.83 34.54 2yuz s LYS 62 CO 0.04 0.33 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.13 2yuz s LEU 63 N -0.18 2.35 -0.28 5.43 0.20 0.06 -2.57 118.68 123.68 2yuz s LEU 63 Ca 0.01 -0.71 -0.19 0.00 0.69 0.00 0.00 54.13 53.92 2yuz s LEU 63 Cb -0.10 -0.02 0.12 0.00 -0.43 0.00 0.00 46.19 45.76 2yuz s LEU 63 CO 0.01 -0.35 0.91 0.54 -0.29 0.00 0.00 176.35 177.17 2yuz s VAL 64 N -2.31 0.00 -0.11 1.68 0.11 -1.26 -0.20 120.40 118.31 2yuz s VAL 64 Ca -0.04 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2yuz s VAL 64 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2yuz s VAL 64 CO -0.03 0.00 0.11 -0.63 -3.33 0.00 0.00 175.10 171.22 2yuz s ILE 65 N 1.02 5.21 0.03 7.04 1.01 -0.79 -3.82 121.20 130.90 2yuz s ILE 65 Ca -0.05 0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 2yuz s ILE 65 Cb -0.04 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 39.11 2yuz s ILE 65 CO -0.12 0.61 1.20 0.00 0.00 0.00 0.00 174.94 176.62 2yuz h ALA 66 N 4.99 -0.79 -3.30 9.38 0.00 -1.78 -3.06 119.26 124.70 2yuz h ALA 66 Ca -0.54 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.66 2yuz h ALA 66 Cb 1.22 0.53 -0.28 0.00 0.00 0.00 0.00 17.79 19.26 2yuz h ALA 66 CO 0.57 -0.82 -0.79 -0.80 0.00 0.00 0.00 179.25 177.41 2yuz s ASN 67 N -3.13 3.83 -0.81 0.00 0.02 -1.26 -4.03 114.94 109.56 2yuz s ASN 67 Ca -0.06 -0.38 -0.26 0.00 -1.02 0.00 0.00 52.86 51.14 2yuz s ASN 67 Cb 0.02 -1.58 0.01 0.00 0.02 0.00 0.00 41.25 39.73 2yuz s ASN 67 CO 0.21 0.15 1.54 0.00 0.02 0.00 0.00 177.10 179.03 2yuz s ALA 68 N 0.42 2.46 0.27 0.60 0.00 0.12 -4.81 121.76 120.82 2yuz s ALA 68 Ca -0.11 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.32 2yuz s ALA 68 Cb -0.16 -4.38 -0.06 0.00 0.00 0.00 0.00 23.12 18.52 2yuz s ALA 68 CO 0.05 -3.73 0.57 -0.51 0.00 0.00 0.00 175.76 172.14 2yuz s LEU 69 N 6.89 4.08 0.44 0.00 1.43 -1.26 -0.54 118.68 129.73 2yuz s LEU 69 Ca 0.50 0.82 0.17 0.00 -1.03 0.00 0.00 54.13 54.59 2yuz s LEU 69 Cb -0.07 -3.62 1.10 0.00 0.03 0.00 0.00 46.19 43.63 2yuz s LEU 69 CO 0.08 -0.16 1.92 0.74 0.23 0.00 0.00 176.35 179.16 2yuz h THR 70 N 1.58 0.78 -0.08 5.49 2.02 -1.97 0.15 112.91 120.87 2yuz h THR 70 Ca -0.47 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 2yuz h THR 70 Cb 1.18 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2yuz h THR 70 CO 0.67 0.07 -0.10 1.05 0.37 0.00 0.00 175.52 177.58 2yuz h GLU 71 N 0.36 0.12 -0.11 6.66 4.11 -2.00 -1.91 114.58 121.82 2yuz h GLU 71 Ca 0.36 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.75 2yuz h GLU 71 Cb 0.90 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2yuz h GLU 71 CO -0.11 0.23 -0.04 -0.44 0.07 0.00 0.00 179.01 178.72 2yuz h ASP 72 N 0.12 0.14 -3.98 3.06 3.32 -1.09 -3.43 116.42 114.56 2yuz h ASP 72 Ca 0.03 -0.02 -0.54 0.00 0.02 0.00 0.00 57.03 56.52 2yuz h ASP 72 Cb 0.25 -0.04 0.11 0.00 0.22 0.00 0.00 39.33 39.88 2yuz h ASP 72 CO 0.01 0.21 0.68 -0.70 -1.72 0.00 0.00 179.24 177.73 2yuz s GLU 73 N -4.93 3.77 0.00 3.56 -6.30 -0.72 -4.68 118.70 109.40 2yuz s GLU 73 Ca -0.05 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 54.78 2yuz s GLU 73 Cb 0.16 -2.69 0.00 0.00 0.00 0.00 0.00 34.13 31.60 2yuz s GLU 73 CO 0.70 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2yuz n GLY 74 N 0.59 -0.19 3.39 -1.50 0.00 -1.26 -4.99 105.19 101.23 2yuz n GLY 74 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 2yuz n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuz s ASP 75 N -4.00 -0.55 0.21 1.61 1.01 -1.26 -3.65 116.67 110.04 2yuz s ASP 75 Ca 0.00 1.17 -0.02 0.00 0.71 0.00 0.00 52.55 54.42 2yuz s ASP 75 Cb 0.00 1.67 -0.04 0.00 1.01 0.00 0.00 42.92 45.56 2yuz s ASP 75 CO 0.00 -0.23 0.42 -0.31 0.21 0.00 0.00 175.17 175.26 2yuz s TYR 76 N 2.71 3.48 -0.15 4.23 1.51 -0.94 -0.73 117.35 127.46 2yuz s TYR 76 Ca -0.03 0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 56.33 2yuz s TYR 76 Cb -0.12 -1.91 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 2yuz s TYR 76 CO -0.15 0.35 0.38 0.08 -1.11 0.00 0.00 175.55 175.10 2yuz s VAL 77 N -1.89 -0.01 -0.14 0.71 1.01 0.20 -1.53 120.40 118.75 2yuz s VAL 77 Ca 0.40 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 2yuz s VAL 77 Cb -0.11 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2yuz s VAL 77 CO 0.29 0.02 -0.13 0.12 0.00 0.00 0.00 175.10 175.40 2yuz s PHE 78 N 0.77 2.82 -0.05 5.22 5.36 -1.19 0.73 117.98 131.64 2yuz s PHE 78 Ca -0.05 -0.68 -0.00 0.00 -0.96 0.00 0.00 56.93 55.24 2yuz s PHE 78 Cb -0.06 -1.86 0.03 0.00 -0.34 0.00 0.00 43.02 40.79 2yuz s PHE 78 CO -0.06 -0.24 -0.01 0.00 -1.46 0.00 0.00 175.22 173.45 2yuz s ALA 79 N 0.44 0.58 0.53 11.12 0.00 -0.72 -2.52 121.76 131.19 2yuz s ALA 79 Ca -0.10 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 2yuz s ALA 79 Cb -0.16 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 2yuz s ALA 79 CO 0.05 -0.24 1.14 -1.25 0.00 0.00 0.00 175.76 175.45 2yuz s PRO 80 N 1.46 3.43 0.00 0.00 0.04 -1.26 -2.23 135.00 136.43 2yuz s PRO 80 Ca -0.03 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.70 2yuz s PRO 80 Cb -0.13 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.51 2yuz s PRO 80 CO -0.03 -0.79 1.14 -0.25 0.04 0.00 0.00 177.00 177.11 2yuz n ASP 81 N -1.15 0.63 0.00 6.66 9.92 -1.05 -3.57 116.55 127.99 2yuz n ASP 81 Ca 0.11 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 2yuz n ASP 81 Cb 0.50 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2yuz n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yuz n ALA 82 N -0.18 1.95 -4.33 2.24 0.00 -1.26 -5.09 120.51 113.85 2yuz n ALA 82 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 2yuz n ALA 82 Cb 0.11 0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2yuz n ALA 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2yuz n TYR 83 N -2.06 0.30 -2.94 0.00 4.02 -1.23 -5.08 117.16 110.17 2yuz n TYR 83 Ca 0.00 -2.49 -0.27 0.00 -0.01 0.00 0.00 57.90 55.13 2yuz n TYR 83 Cb 0.46 -0.41 -0.04 0.00 -0.02 0.00 0.00 39.34 39.34 2yuz n TYR 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2yuz n ASN 84 N -1.58 4.45 -4.51 7.72 4.13 -1.26 -4.39 115.26 119.82 2yuz n ASN 84 Ca -0.12 -3.68 -0.28 0.00 1.68 0.00 0.00 54.58 52.18 2yuz n ASN 84 Cb 0.65 -0.56 -0.11 0.00 -1.54 0.00 0.00 39.78 38.23 2yuz n ASN 84 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2yuz s VAL 85 N -4.46 2.88 -0.04 2.41 0.11 -1.26 -5.07 120.40 114.97 2yuz s VAL 85 Ca 0.49 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 2yuz s VAL 85 Cb 0.28 -2.37 0.03 0.00 -1.53 0.00 0.00 36.38 32.79 2yuz s VAL 85 CO -0.14 0.00 -0.01 0.42 -3.33 0.00 0.00 175.10 172.05 2yuz s THR 86 N -1.40 0.28 -0.40 5.04 -4.23 -1.26 -4.04 115.64 109.65 2yuz s THR 86 Ca 0.21 0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.71 2yuz s THR 86 Cb -0.10 -0.38 0.09 0.00 1.34 0.00 0.00 72.50 73.45 2yuz s THR 86 CO 0.12 0.18 0.20 -0.76 -0.54 0.00 0.00 174.62 173.82 2yuz s LEU 87 N 1.17 5.00 0.50 4.79 1.02 -1.05 -4.91 118.68 125.20 2yuz s LEU 87 Ca -0.08 -1.68 -0.21 0.00 0.02 0.00 0.00 54.13 52.18 2yuz s LEU 87 Cb -0.14 -1.88 -0.07 0.00 0.02 0.00 0.00 46.19 44.12 2yuz s LEU 87 CO -0.02 -0.50 1.15 -2.16 0.02 0.00 0.00 176.35 174.84 2yuz s PRO 88 N 1.29 3.59 -0.10 1.29 0.04 -1.26 -3.18 135.00 136.66 2yuz s PRO 88 Ca 0.04 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 2yuz s PRO 88 Cb -0.22 -2.23 0.04 0.00 0.04 0.00 0.00 34.50 32.13 2yuz s PRO 88 CO -0.01 -0.68 0.23 0.00 0.04 0.00 0.00 177.00 176.59 2yuz s ALA 89 N -1.64 -0.53 -0.12 8.56 0.00 -0.58 -4.73 121.76 122.72 2yuz s ALA 89 Ca 0.67 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 53.39 2yuz s ALA 89 Cb -0.26 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2yuz s ALA 89 CO 0.31 -0.19 0.55 0.15 0.00 0.00 0.00 175.76 176.58 2yuz s LYS 90 N 1.22 4.35 0.19 0.00 3.01 -1.26 -2.22 119.74 125.03 2yuz s LYS 90 Ca -0.09 0.58 0.09 0.00 -1.01 0.00 0.00 55.97 55.54 2yuz s LYS 90 Cb -0.10 -3.46 -0.04 0.00 -1.01 0.00 0.00 37.83 33.21 2yuz s LYS 90 CO -0.08 0.08 -0.18 0.14 0.51 0.00 0.00 175.35 175.82 2yuz s VAL 91 N 0.84 1.91 -0.23 3.17 -7.23 -1.24 -2.45 120.40 115.16 2yuz s VAL 91 Ca 0.29 -2.06 -0.21 0.00 -1.81 0.00 0.00 61.98 58.19 2yuz s VAL 91 Cb -0.16 -1.97 0.06 0.00 0.56 0.00 0.00 36.38 34.87 2yuz s VAL 91 CO 0.12 -0.39 0.62 -2.28 -0.31 0.00 0.00 175.10 172.86 2yuz s HIS 92 N -2.33 -0.70 -0.06 2.82 2.46 -1.23 -4.11 115.29 112.15 2yuz s HIS 92 Ca 0.20 1.68 0.04 0.00 0.47 0.00 0.00 55.06 57.44 2yuz s HIS 92 Cb -0.04 0.25 -0.02 0.00 -0.13 0.00 0.00 32.58 32.64 2yuz s HIS 92 CO 0.08 -0.34 -0.18 0.54 -2.47 0.00 0.00 174.74 172.37 2yuz s VAL 93 N 0.42 2.69 -0.04 0.89 0.11 -1.26 -2.83 120.40 120.38 2yuz s VAL 93 Ca -0.01 -0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2yuz s VAL 93 Cb -0.04 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 2yuz s VAL 93 CO -0.01 0.57 0.01 -0.63 -3.33 0.00 0.00 175.10 171.72 2yuz s ILE 94 N -0.42 4.30 0.96 7.04 1.01 -0.91 -4.96 121.20 128.22 2yuz s ILE 94 Ca 0.05 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 2yuz s ILE 94 Cb -0.12 -2.88 0.17 0.00 0.01 0.00 0.00 42.46 39.64 2yuz s ILE 94 CO 0.02 0.46 1.13 -0.94 0.00 0.00 0.00 174.94 175.61 2yuz s SER 95 N -1.31 2.52 0.00 3.58 1.04 -1.26 -1.00 113.70 117.27 2yuz s SER 95 Ca 0.17 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.70 2yuz s SER 95 Cb -0.11 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2yuz s SER 95 CO 0.08 -3.34 0.00 0.61 0.98 0.00 0.00 173.24 171.57 2yuz n GLY 96 N 0.37 4.57 3.62 7.32 0.00 -1.26 -4.51 105.19 115.29 2yuz n GLY 96 Ca 0.10 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 2yuz n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuz s PRO 97 N 1.17 3.71 -0.05 1.61 0.04 -1.26 -4.92 135.00 135.30 2yuz s PRO 97 Ca 0.00 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 2yuz s PRO 97 Cb 0.00 -4.06 -0.06 0.00 0.04 0.00 0.00 34.50 30.42 2yuz s PRO 97 CO 0.00 -1.40 0.47 1.03 0.04 0.00 0.00 177.00 177.14 2yuz h SER 98 N 11.07 -0.33 0.65 6.66 0.87 -2.03 -3.37 113.55 127.07 2yuz h SER 98 Ca -0.33 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2yuz h SER 98 Cb 1.15 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2yuz h SER 98 CO 1.01 0.08 -0.49 -1.28 -0.53 0.00 0.00 176.83 175.63 2yuz h SER 99 N -1.02 -1.27 0.00 6.23 0.87 -2.09 -3.57 113.55 112.70 2yuz h SER 99 Ca -0.04 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2yuz h SER 99 Cb 0.30 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2yuz h SER 99 CO 0.07 -0.70 0.00 0.61 -0.53 0.00 0.00 176.83 176.28