#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 5.95 -0.56 1.61 0.01 -1.26 -4.95 113.70 114.49 2yuz s SER 2 Ca 0.00 -0.59 -0.27 0.00 1.31 0.00 0.00 55.95 56.40 2yuz s SER 2 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.71 2yuz s SER 2 CO 0.00 -1.97 1.10 -0.44 0.41 0.00 0.00 173.24 172.34 2yuz s SER 3 N 5.47 6.43 0.00 2.44 0.01 -1.26 -4.92 113.70 121.87 2yuz s SER 3 Ca 0.49 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2yuz s SER 3 Cb -0.07 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2yuz s SER 3 CO 0.07 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 172.96 2yuz n GLY 4 N 5.06 2.75 3.51 3.44 0.00 -1.26 -5.16 105.19 113.54 2yuz n GLY 4 Ca 0.07 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 1.22 -0.23 1.61 0.01 -1.26 -4.99 113.70 110.07 2yuz s SER 5 Ca 0.00 1.71 -0.06 0.00 1.31 0.00 0.00 55.95 58.91 2yuz s SER 5 Cb 0.00 -2.40 -0.18 0.00 0.21 0.00 0.00 66.02 63.64 2yuz s SER 5 CO 0.00 -4.08 -0.07 -1.54 0.41 0.00 0.00 173.24 167.96 2yuz n SER 6 N -4.85 2.00 0.00 2.44 3.41 -1.26 -5.12 113.62 110.24 2yuz n SER 6 Ca 0.05 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2yuz n SER 6 Cb 0.53 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2yuz n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuz n GLY 7 N 1.88 0.19 3.68 5.00 0.00 -1.26 -5.09 105.19 109.60 2yuz n GLY 7 Ca -0.43 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2yuz n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yuz s LEU 8 N 0.00 4.22 0.09 0.99 2.96 -1.26 -5.04 118.68 120.64 2yuz s LEU 8 Ca 0.00 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 2yuz s LEU 8 Cb 0.00 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 2yuz s LEU 8 CO 0.00 -0.41 0.10 -0.54 -1.32 0.00 0.00 176.35 174.18 2yuz s LYS 9 N 1.99 2.94 -0.49 1.98 1.02 -1.26 -5.01 119.74 120.90 2yuz s LYS 9 Ca 0.44 -0.68 -0.13 0.00 0.02 0.00 0.00 55.97 55.61 2yuz s LYS 9 Cb -0.18 -2.75 0.11 0.00 -0.52 0.00 0.00 37.83 34.49 2yuz s LYS 9 CO 0.16 0.56 0.41 0.42 -0.92 0.00 0.00 175.35 175.98 2yuz s ILE 10 N -1.44 4.80 -0.04 2.17 1.09 -1.26 -2.45 121.20 124.07 2yuz s ILE 10 Ca 0.30 -1.50 -0.11 0.00 -1.10 0.00 0.00 60.65 58.24 2yuz s ILE 10 Cb -0.12 -4.05 -0.06 0.00 -1.06 0.00 0.00 42.46 37.17 2yuz s ILE 10 CO 0.23 -0.75 0.49 -0.07 -0.10 0.00 0.00 174.94 174.74 2yuz h LEU 11 N 8.68 -0.32 -6.98 2.97 3.38 -1.82 -3.43 115.31 117.79 2yuz h LEU 11 Ca -0.26 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.11 2yuz h LEU 11 Cb 1.09 0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 2yuz h LEU 11 CO 0.93 0.04 -0.73 -0.89 0.09 0.00 0.00 178.44 177.88 2yuz s THR 12 N -2.80 1.47 0.45 0.22 2.01 -0.63 -4.95 115.64 111.42 2yuz s THR 12 Ca -0.06 -2.66 -0.23 0.00 0.31 0.00 0.00 61.69 59.05 2yuz s THR 12 Cb 0.01 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.41 2yuz s THR 12 CO 0.17 -0.91 1.17 -2.16 -0.69 0.00 0.00 174.62 172.20 2yuz s PRO 13 N 0.24 3.82 0.31 4.92 0.04 -1.26 -1.72 135.00 141.34 2yuz s PRO 13 Ca 0.18 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 2yuz s PRO 13 Cb -0.22 -2.46 -0.13 0.00 0.04 0.00 0.00 34.50 31.72 2yuz s PRO 13 CO -0.01 -0.51 1.23 1.28 0.04 0.00 0.00 177.00 179.02 2yuz n LEU 14 N -0.37 2.93 -4.43 -3.56 4.77 -1.26 -4.94 117.00 110.13 2yuz n LEU 14 Ca 0.07 1.19 -0.29 0.00 -0.03 0.00 0.00 56.01 56.94 2yuz n LEU 14 Cb 0.48 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 2yuz n LEU 14 CO 0.48 -0.76 -0.53 0.42 -1.33 0.00 0.00 177.39 175.67 2yuz s THR 15 N -0.89 2.53 -0.14 -5.08 -4.23 -1.26 -4.85 115.64 101.72 2yuz s THR 15 Ca 0.59 -1.61 -0.38 0.00 -1.18 0.00 0.00 61.69 59.10 2yuz s THR 15 Cb -0.63 -2.13 -0.15 0.00 1.34 0.00 0.00 72.50 70.93 2yuz s THR 15 CO 0.59 0.12 1.64 -0.90 -0.54 0.00 0.00 174.62 175.53 2yuz n ASP 16 N 0.92 2.31 -4.06 3.99 5.68 -1.26 -4.78 116.55 119.35 2yuz n ASP 16 Ca -0.17 1.08 -0.32 0.00 -0.50 0.00 0.00 54.79 54.88 2yuz n ASP 16 Cb 0.53 -1.19 -0.16 0.00 -1.14 0.00 0.00 41.12 39.16 2yuz n ASP 16 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2yuz s GLN 17 N 2.63 2.48 -0.15 0.11 -1.52 -0.86 -5.01 119.66 117.33 2yuz s GLN 17 Ca 0.93 -0.94 0.01 0.00 -1.95 0.00 0.00 55.36 53.41 2yuz s GLN 17 Cb -0.98 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 2yuz s GLN 17 CO 0.58 -0.36 -0.18 0.99 -0.25 0.00 0.00 175.29 176.07 2yuz s THR 18 N 1.29 2.42 0.34 -0.19 2.01 -1.26 -3.42 115.64 116.82 2yuz s THR 18 Ca -0.00 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.18 2yuz s THR 18 Cb -0.16 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 2yuz s THR 18 CO -0.09 0.53 0.09 0.68 -0.69 0.00 0.00 174.62 175.14 2yuz s VAL 19 N 0.89 0.82 -0.06 3.82 -7.23 -1.12 -5.00 120.40 112.52 2yuz s VAL 19 Ca -0.04 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.96 2yuz s VAL 19 Cb -0.15 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 2yuz s VAL 19 CO -0.02 0.00 0.44 0.20 -0.31 0.00 0.00 175.10 175.41 2yuz s ASN 20 N -3.48 6.74 0.03 4.85 -0.87 -1.26 -1.49 114.94 119.46 2yuz s ASN 20 Ca 0.33 0.88 -0.28 0.00 -1.57 0.00 0.00 52.86 52.22 2yuz s ASN 20 Cb 0.06 -2.27 -0.15 0.00 -0.02 0.00 0.00 41.25 38.88 2yuz s ASN 20 CO 0.15 0.16 0.72 -0.11 -2.57 0.00 0.00 177.10 175.44 2yuz n LEU 21 N 2.78 -0.21 0.00 0.60 7.94 0.01 -0.11 117.00 128.01 2yuz n LEU 21 Ca -0.10 0.87 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 2yuz n LEU 21 Cb 0.52 -0.70 0.00 0.00 0.53 0.00 0.00 43.42 43.77 2yuz n LEU 21 CO 0.40 -1.61 0.00 0.61 -1.11 0.00 0.00 177.39 175.68 2yuz n GLY 22 N 1.21 2.88 3.68 -3.96 0.00 -1.22 -4.90 105.19 102.89 2yuz n GLY 22 Ca 0.15 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2yuz n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuz s LYS 23 N 0.00 1.08 -0.53 1.61 1.02 0.84 -4.06 119.74 119.70 2yuz s LYS 23 Ca 0.00 1.53 -0.22 0.00 0.02 0.00 0.00 55.97 57.31 2yuz s LYS 23 Cb 0.00 -1.74 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 2yuz s LYS 23 CO 0.00 -2.58 0.78 -2.00 -0.92 0.00 0.00 175.35 170.63 2yuz s GLU 24 N -4.66 3.22 0.79 1.68 2.12 -1.26 -1.49 118.70 119.09 2yuz s GLU 24 Ca 0.66 -0.61 -0.13 0.00 0.36 0.00 0.00 54.97 55.25 2yuz s GLU 24 Cb -0.22 -4.08 0.07 0.00 0.26 0.00 0.00 34.13 30.15 2yuz s GLU 24 CO 0.58 -1.36 1.20 0.42 -0.54 0.00 0.00 175.26 175.55 2yuz s ILE 25 N 3.28 2.18 -0.06 -3.70 1.01 -1.16 -4.83 121.20 117.91 2yuz s ILE 25 Ca 0.22 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 2yuz s ILE 25 Cb -0.16 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2yuz s ILE 25 CO 0.15 -0.06 0.26 0.00 0.00 0.00 0.00 174.94 175.30 2yuz s LEU 27 N -0.54 -0.71 0.03 0.00 1.43 0.16 -4.92 118.68 114.13 2yuz s LEU 27 Ca -0.06 0.88 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 2yuz s LEU 27 Cb -0.04 1.40 -0.03 0.00 0.03 0.00 0.00 46.19 47.56 2yuz s LEU 27 CO 0.02 -0.24 -0.24 -0.75 0.23 0.00 0.00 176.35 175.36 2yuz s LYS 28 N 2.63 1.92 -0.17 1.70 2.20 -1.26 -0.65 119.74 126.11 2yuz s LYS 28 Ca 0.02 -1.05 -0.11 0.00 -0.36 0.00 0.00 55.97 54.47 2yuz s LYS 28 Cb -0.13 -2.04 0.05 0.00 -1.51 0.00 0.00 37.83 34.21 2yuz s LYS 28 CO -0.14 0.53 0.42 0.00 -0.36 0.00 0.00 175.35 175.79 2yuz s GLU 30 N 0.97 2.08 0.20 0.00 2.12 -0.70 -1.94 118.70 121.43 2yuz s GLU 30 Ca -0.06 -0.96 0.04 0.00 0.36 0.00 0.00 54.97 54.35 2yuz s GLU 30 Cb -0.06 -2.14 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 2yuz s GLU 30 CO -0.08 0.55 -0.03 0.96 -0.54 0.00 0.00 175.26 176.12 2yuz s ILE 31 N -0.82 1.05 -1.25 -3.70 -4.36 -1.16 -1.60 121.20 109.37 2yuz s ILE 31 Ca 0.13 -2.04 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 2yuz s ILE 31 Cb -0.10 -2.19 0.15 0.00 1.25 0.00 0.00 42.46 41.57 2yuz s ILE 31 CO 0.03 -0.45 0.87 -0.24 0.24 0.00 0.00 174.94 175.39 2yuz n SER 32 N -0.35 1.54 -4.16 4.36 2.88 -1.03 -4.82 113.62 112.05 2yuz n SER 32 Ca -0.07 -2.12 -0.11 0.00 -1.33 0.00 0.00 58.87 55.24 2yuz n SER 32 Cb 0.63 -0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 2yuz n SER 32 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2yuz s GLU 33 N -1.51 0.79 -0.74 -1.46 2.02 -1.26 -4.86 118.70 111.69 2yuz s GLU 33 Ca 0.11 -1.24 0.04 0.00 0.02 0.00 0.00 54.97 53.89 2yuz s GLU 33 Cb 0.07 -0.24 0.22 0.00 0.10 0.00 0.00 34.13 34.28 2yuz s GLU 33 CO 0.04 -0.00 0.72 -1.71 0.02 0.00 0.00 175.26 174.33 2yuz n ASN 34 N 0.21 3.77 -4.09 -0.19 2.85 -1.26 -4.60 115.26 111.95 2yuz n ASN 34 Ca -0.14 -3.31 -0.14 0.00 -0.11 0.00 0.00 54.58 50.88 2yuz n ASN 34 Cb 0.60 -0.81 -0.11 0.00 1.24 0.00 0.00 39.78 40.69 2yuz n ASN 34 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2yuz s ILE 35 N -1.96 0.65 -0.13 -1.44 -4.36 -1.26 -5.01 121.20 107.69 2yuz s ILE 35 Ca 0.32 -1.16 -0.29 0.00 -0.26 0.00 0.00 60.65 59.25 2yuz s ILE 35 Cb 0.04 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.97 2yuz s ILE 35 CO -0.08 -0.38 1.55 -2.16 0.24 0.00 0.00 174.94 174.11 2yuz s PRO 36 N -1.71 4.09 0.48 0.37 0.04 -1.26 -4.91 135.00 132.09 2yuz s PRO 36 Ca -0.08 1.91 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2yuz s PRO 36 Cb -0.09 -3.95 0.06 0.00 0.04 0.00 0.00 34.50 30.56 2yuz s PRO 36 CO 0.01 -0.94 0.51 0.41 0.04 0.00 0.00 177.00 177.03 2yuz n GLY 37 N 4.15 2.38 3.04 0.56 0.00 -1.26 -2.61 105.19 111.44 2yuz n GLY 37 Ca 0.17 -2.25 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 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 -4.07 0.47 0.22 1.61 2.20 0.13 -4.83 119.74 115.47 2yuz s LYS 38 Ca 0.39 -0.88 0.07 0.00 -0.36 0.00 0.00 55.97 55.18 2yuz s LYS 38 Cb -0.03 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 2yuz s LYS 38 CO 0.25 -0.06 0.15 -1.58 -0.36 0.00 0.00 175.35 173.75 2yuz s TRP 39 N -2.45 3.08 -0.09 4.03 0.52 -1.26 -1.28 118.94 121.50 2yuz s TRP 39 Ca -0.06 -0.09 -0.06 0.00 0.02 0.00 0.00 56.10 55.91 2yuz s TRP 39 Cb -0.03 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 30.90 2yuz s TRP 39 CO -0.04 0.53 0.22 0.95 0.02 0.00 0.00 176.95 178.62 2yuz s THR 40 N -1.99 -0.02 -0.02 2.01 -4.23 0.43 -3.10 115.64 108.72 2yuz s THR 40 Ca 0.32 0.06 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 2yuz s THR 40 Cb -0.09 -0.32 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 2yuz s THR 40 CO 0.24 0.03 -0.12 -0.75 -0.54 0.00 0.00 174.62 173.47 2yuz s LYS 41 N 0.57 2.45 -1.85 3.99 2.20 0.14 0.11 119.74 127.35 2yuz s LYS 41 Ca -0.04 -0.75 -0.22 0.00 -0.36 0.00 0.00 55.97 54.61 2yuz s LYS 41 Cb -0.05 -2.39 0.22 0.00 -1.51 0.00 0.00 37.83 34.09 2yuz s LYS 41 CO -0.03 0.61 0.55 0.09 -0.36 0.00 0.00 175.35 176.21 2yuz n ASN 42 N 1.96 -1.63 -2.31 1.43 5.03 -0.93 0.17 115.26 118.99 2yuz n ASN 42 Ca -0.17 -1.24 -0.16 0.00 0.87 0.00 0.00 54.58 53.88 2yuz n ASN 42 Cb 0.52 -1.64 0.03 0.00 -1.02 0.00 0.00 39.78 37.68 2yuz n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yuz n GLY 43 N -1.20 -0.13 3.06 7.41 0.00 -1.26 -5.02 105.19 108.04 2yuz n GLY 43 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2yuz n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yuz s LEU 44 N -4.95 1.99 -0.19 0.99 1.43 0.45 -5.12 118.68 113.27 2yuz s LEU 44 Ca 0.27 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2yuz s LEU 44 Cb -0.12 0.39 -0.03 0.00 0.03 0.00 0.00 46.19 46.46 2yuz s LEU 44 CO 0.33 -0.41 1.59 -2.16 0.23 0.00 0.00 176.35 175.93 2yuz s PRO 45 N -2.05 3.89 0.25 1.29 0.04 -1.26 0.27 135.00 137.43 2yuz s PRO 45 Ca -0.10 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2yuz s PRO 45 Cb -0.05 -4.00 -0.09 0.00 0.04 0.00 0.00 34.50 30.40 2yuz s PRO 45 CO -0.02 -1.17 1.21 0.08 0.04 0.00 0.00 177.00 177.13 2yuz s VAL 46 N 4.87 3.29 -0.30 -0.36 1.01 -1.18 -4.87 120.40 122.86 2yuz s VAL 46 Ca 0.70 1.18 -0.04 0.00 0.00 0.00 0.00 61.98 63.82 2yuz s VAL 46 Cb -0.26 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2yuz s VAL 46 CO 0.28 0.24 0.03 -1.10 0.00 0.00 0.00 175.10 174.55 2yuz s GLN 47 N -0.92 2.77 0.96 2.72 -1.52 -1.26 -4.93 119.66 117.47 2yuz s GLN 47 Ca 0.50 -1.06 -0.12 0.00 -1.95 0.00 0.00 55.36 52.73 2yuz s GLN 47 Cb -0.35 -3.26 0.07 0.00 -0.22 0.00 0.00 33.01 29.26 2yuz s GLN 47 CO 0.42 -0.53 0.59 0.39 -0.25 0.00 0.00 175.29 175.92 2yuz n GLU 48 N 4.75 -0.44 -3.84 2.91 4.71 -1.26 -4.94 120.64 122.53 2yuz n GLU 48 Ca -0.14 -0.08 -0.06 0.00 -0.01 0.00 0.00 57.16 56.86 2yuz n GLU 48 Cb 0.46 -1.99 0.02 0.00 -1.01 0.00 0.00 31.44 28.92 2yuz n GLU 48 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2yuz s SER 49 N -2.18 -0.01 0.32 1.62 0.01 -0.88 -4.93 113.70 107.65 2yuz s SER 49 Ca 0.60 -0.93 0.10 0.00 1.31 0.00 0.00 55.95 57.02 2yuz s SER 49 Cb -0.21 0.71 0.95 0.00 0.21 0.00 0.00 66.02 67.68 2yuz s SER 49 CO 0.65 -1.40 1.64 -0.78 0.41 0.00 0.00 173.24 173.76 2yuz h ASP 50 N 2.00 0.24 0.00 2.44 3.58 -2.05 -2.21 116.42 120.42 2yuz h ASP 50 Ca -0.30 0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.25 2yuz h ASP 50 Cb 1.24 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 2yuz h ASP 50 CO 0.38 -0.19 -0.69 0.03 -2.88 0.00 0.00 179.24 175.89 2yuz h ARG 51 N 0.23 0.00 -6.20 0.28 -0.00 -1.99 -3.45 114.38 103.25 2yuz h ARG 51 Ca 0.67 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 59.58 2yuz h ARG 51 Cb 1.49 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.45 2yuz h ARG 51 CO -0.66 0.77 1.30 -1.17 0.00 0.00 0.00 179.97 180.21 2yuz s LEU 52 N -8.08 3.69 -0.09 3.04 0.20 -0.83 -3.93 118.68 112.68 2yuz s LEU 52 Ca -0.22 1.72 0.05 0.00 0.69 0.00 0.00 54.13 56.37 2yuz s LEU 52 Cb 0.02 -3.52 -0.00 0.00 -0.43 0.00 0.00 46.19 42.26 2yuz s LEU 52 CO 0.51 -1.60 -0.24 -1.59 -0.29 0.00 0.00 176.35 173.14 2yuz s LYS 53 N 5.49 2.90 -0.32 1.98 0.00 -1.26 -2.07 119.74 126.46 2yuz s LYS 53 Ca 0.85 -0.88 0.03 0.00 0.00 0.00 0.00 55.97 55.97 2yuz s LYS 53 Cb -0.29 -2.27 0.09 0.00 0.00 0.00 0.00 37.83 35.37 2yuz s LYS 53 CO 0.34 0.25 0.03 0.08 0.00 0.00 0.00 175.35 176.05 2yuz s VAL 54 N 0.17 2.06 -0.10 1.79 1.01 -1.26 -3.80 120.40 120.27 2yuz s VAL 54 Ca -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 61.98 59.69 2yuz s VAL 54 Cb -0.17 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2yuz s VAL 54 CO 0.07 -0.53 0.06 -0.69 0.00 0.00 0.00 175.10 174.01 2yuz s VAL 55 N 1.03 4.81 -0.01 2.92 1.01 -1.07 -5.03 120.40 124.07 2yuz s VAL 55 Ca 0.08 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2yuz s VAL 55 Cb -0.19 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2yuz s VAL 55 CO -0.10 0.61 -0.17 -1.58 0.00 0.00 0.00 175.10 173.86 2yuz s GLN 56 N -0.90 1.34 -0.23 2.72 -0.44 -1.26 -1.50 119.66 119.39 2yuz s GLN 56 Ca 0.14 -0.63 -0.01 0.00 -2.50 0.00 0.00 55.36 52.35 2yuz s GLN 56 Cb -0.12 -1.31 0.07 0.00 -1.64 0.00 0.00 33.01 30.01 2yuz s GLN 56 CO 0.03 0.36 0.02 0.15 0.50 0.00 0.00 175.29 176.35 2yuz s LYS 57 N -0.48 1.00 0.87 1.67 1.02 0.65 -4.98 119.74 119.48 2yuz s LYS 57 Ca 0.06 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.28 2yuz s LYS 57 Cb -0.07 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2yuz s LYS 57 CO -0.00 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 2yuz n GLY 58 N 4.87 0.34 2.29 -3.33 0.00 -1.26 0.25 105.19 108.34 2yuz n GLY 58 Ca -0.08 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.04 -3.59 1.61 1.74 -1.26 -4.45 116.66 113.75 2yuz n ARG 59 Ca 0.00 -4.01 -0.16 0.00 -0.77 0.00 0.00 57.85 52.92 2yuz n ARG 59 Cb 0.00 -2.07 -0.13 0.00 -1.02 0.00 0.00 32.46 29.23 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 -4.45 -0.36 -0.35 0.55 1.01 0.14 -2.98 121.20 114.77 2yuz s ILE 60 Ca 0.44 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 2yuz s ILE 60 Cb 0.39 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 42.35 2yuz s ILE 60 CO -0.00 -0.00 0.21 -1.00 0.00 0.00 0.00 174.94 174.14 2yuz s HIS 61 N 2.37 3.22 -0.05 3.97 3.76 -0.82 -0.26 115.29 127.48 2yuz s HIS 61 Ca 0.04 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2yuz s HIS 61 Cb -0.13 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 2yuz s HIS 61 CO -0.10 -0.51 -0.04 0.21 -0.85 0.00 0.00 174.74 173.45 2yuz s LYS 62 N 1.63 2.77 -0.08 1.40 2.20 -0.56 -2.71 119.74 124.39 2yuz s LYS 62 Ca 0.04 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 2yuz s LYS 62 Cb -0.18 -2.63 0.03 0.00 -1.51 0.00 0.00 37.83 33.54 2yuz s LYS 62 CO 0.08 0.66 0.04 -1.17 -0.36 0.00 0.00 175.35 174.59 2yuz s LEU 63 N -1.01 0.43 -0.08 5.43 0.20 0.18 -2.58 118.68 121.25 2yuz s LEU 63 Ca 0.14 -0.12 -0.01 0.00 0.69 0.00 0.00 54.13 54.83 2yuz s LEU 63 Cb -0.11 -0.31 0.03 0.00 -0.43 0.00 0.00 46.19 45.36 2yuz s LEU 63 CO 0.04 -0.24 -0.02 0.68 -0.29 0.00 0.00 176.35 176.51 2yuz s VAL 64 N 2.06 0.58 0.15 1.68 -7.23 -1.25 -0.67 120.40 115.72 2yuz s VAL 64 Ca 0.04 -0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 59.99 2yuz s VAL 64 Cb -0.13 -0.69 -0.07 0.00 0.56 0.00 0.00 36.38 36.05 2yuz s VAL 64 CO -0.05 0.29 0.67 -0.63 -0.31 0.00 0.00 175.10 175.07 2yuz s ILE 65 N 1.84 4.59 0.11 -0.62 1.01 -1.07 -4.21 121.20 122.84 2yuz s ILE 65 Ca 0.04 1.35 -0.24 0.00 0.00 0.00 0.00 60.65 61.80 2yuz s ILE 65 Cb -0.12 -3.95 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 2yuz s ILE 65 CO -0.06 0.43 1.69 0.00 0.00 0.00 0.00 174.94 177.00 2yuz h ALA 66 N 4.10 -0.16 -3.31 9.38 0.00 -1.91 -3.07 119.26 124.29 2yuz h ALA 66 Ca -0.48 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 53.95 2yuz h ALA 66 Cb 1.20 0.18 -0.36 0.00 0.00 0.00 0.00 17.79 18.82 2yuz h ALA 66 CO 0.65 -0.62 -0.79 -0.80 0.00 0.00 0.00 179.25 177.70 2yuz s ASN 67 N -5.02 1.62 -1.16 0.00 -0.87 -1.26 -4.28 114.94 103.96 2yuz s ASN 67 Ca -0.14 -0.19 -0.23 0.00 -1.57 0.00 0.00 52.86 50.72 2yuz s ASN 67 Cb 0.08 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.25 40.57 2yuz s ASN 67 CO 0.66 -0.10 1.96 0.00 -2.57 0.00 0.00 177.10 177.05 2yuz n ALA 68 N 4.59 1.57 -1.77 0.60 0.00 -0.56 -4.87 120.51 120.08 2yuz n ALA 68 Ca -0.16 -2.89 -0.39 0.00 0.00 0.00 0.00 53.44 49.99 2yuz n ALA 68 Cb 0.50 -3.46 -0.00 0.00 0.00 0.00 0.00 19.45 16.49 2yuz n ALA 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yuz s LEU 69 N 11.93 4.19 0.28 0.00 1.43 -1.26 -3.37 118.68 131.89 2yuz s LEU 69 Ca 0.70 2.69 0.02 0.00 -1.03 0.00 0.00 54.13 56.52 2yuz s LEU 69 Cb -0.01 -3.91 0.70 0.00 0.03 0.00 0.00 46.19 42.99 2yuz s LEU 69 CO 0.15 -0.91 1.42 0.35 0.23 0.00 0.00 176.35 177.59 2yuz n THR 70 N 0.07 -0.38 -0.34 5.49 -2.24 -1.26 0.19 114.28 115.81 2yuz n THR 70 Ca 0.04 2.00 0.01 0.00 -2.27 0.00 0.00 64.05 63.82 2yuz n THR 70 Cb 0.43 -2.92 0.15 0.00 -2.10 0.00 0.00 70.33 65.89 2yuz n THR 70 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2yuz h GLU 71 N 0.00 1.07 -0.86 -0.78 4.11 -1.99 -2.28 114.58 113.85 2yuz h GLU 71 Ca 0.55 -0.06 0.22 0.00 0.07 0.00 0.00 59.36 60.14 2yuz h GLU 71 Cb 1.14 -0.24 -0.15 0.00 0.50 0.00 0.00 28.75 30.00 2yuz h GLU 71 CO -0.85 0.71 0.14 0.38 0.07 0.00 0.00 179.01 179.46 2yuz h ASP 72 N 1.10 -0.16 -2.22 3.06 3.04 0.18 -3.40 116.42 118.02 2yuz h ASP 72 Ca 0.39 0.21 -0.58 0.00 -3.24 0.00 0.00 57.03 53.81 2yuz h ASP 72 Cb 0.11 0.32 0.04 0.00 -1.04 0.00 0.00 39.33 38.76 2yuz h ASP 72 CO -0.16 -0.19 0.97 -1.84 -2.04 0.00 0.00 179.24 175.98 2yuz n GLU 73 N -5.30 2.28 0.00 4.15 0.28 -0.86 -4.65 120.64 116.54 2yuz n GLU 73 Ca 0.20 0.83 0.00 0.00 -0.16 0.00 0.00 57.16 58.02 2yuz n GLU 73 Cb 0.64 -2.65 0.00 0.00 1.43 0.00 0.00 31.44 30.86 2yuz n GLU 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2yuz n GLY 74 N 3.93 -0.47 2.97 -1.84 0.00 0.89 -4.90 105.19 105.76 2yuz n GLY 74 Ca 0.19 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 0.06 0.31 1.61 1.01 -1.26 0.11 116.67 114.51 2yuz s ASP 75 Ca 0.00 0.43 0.07 0.00 0.71 0.00 0.00 52.55 53.77 2yuz s ASP 75 Cb 0.00 0.37 -0.03 0.00 1.01 0.00 0.00 42.92 44.27 2yuz s ASP 75 CO 0.00 -0.19 0.28 -0.31 0.21 0.00 0.00 175.17 175.17 2yuz s TYR 76 N 1.61 3.00 -0.15 4.23 1.51 0.11 -2.18 117.35 125.48 2yuz s TYR 76 Ca -0.05 -0.23 -0.09 0.00 -1.01 0.00 0.00 57.07 55.69 2yuz s TYR 76 Cb -0.11 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 2yuz s TYR 76 CO -0.07 0.27 0.35 0.08 -1.11 0.00 0.00 175.55 175.07 2yuz s VAL 77 N -2.24 -0.03 0.22 0.71 1.01 0.29 -0.13 120.40 120.25 2yuz s VAL 77 Ca 0.39 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.54 2yuz s VAL 77 Cb -0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2yuz s VAL 77 CO 0.27 0.04 0.07 0.12 0.00 0.00 0.00 175.10 175.59 2yuz s PHE 78 N 1.18 2.91 -0.28 5.22 2.19 -0.55 0.16 117.98 128.81 2yuz s PHE 78 Ca -0.08 -0.14 -0.23 0.00 0.33 0.00 0.00 56.93 56.81 2yuz s PHE 78 Cb -0.08 -1.34 0.12 0.00 -1.31 0.00 0.00 43.02 40.40 2yuz s PHE 78 CO -0.10 0.55 0.98 0.00 1.83 0.00 0.00 175.22 178.49 2yuz s ALA 79 N -2.02 -2.00 0.54 11.12 0.00 -0.40 -0.45 121.76 128.55 2yuz s ALA 79 Ca 0.31 1.97 -0.19 0.00 0.00 0.00 0.00 51.96 54.04 2yuz s ALA 79 Cb -0.08 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 2yuz s ALA 79 CO 0.21 -0.27 1.13 -1.25 0.00 0.00 0.00 175.76 175.58 2yuz s PRO 80 N 0.47 3.35 -0.01 0.00 0.04 -1.26 -0.69 135.00 136.90 2yuz s PRO 80 Ca 0.00 1.61 0.05 0.00 0.04 0.00 0.00 61.00 62.70 2yuz s PRO 80 Cb -0.05 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.65 2yuz s PRO 80 CO -0.07 -0.85 1.06 -0.25 0.04 0.00 0.00 177.00 176.93 2yuz n ASP 81 N -1.31 1.21 0.00 6.66 9.92 -1.07 -3.63 116.55 128.33 2yuz n ASP 81 Ca 0.12 -2.05 0.00 0.00 -0.53 0.00 0.00 54.79 52.33 2yuz n ASP 81 Cb 0.51 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 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 0.05 1.90 -3.99 2.24 0.00 -1.26 -5.08 120.51 114.37 2yuz n ALA 82 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 2yuz n ALA 82 Cb 0.22 0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.96 -0.35 -0.02 0.00 4.02 -1.24 -5.06 117.16 112.55 2yuz n TYR 83 Ca 0.00 -1.31 0.05 0.00 -0.01 0.00 0.00 57.90 56.63 2yuz n TYR 83 Cb 0.43 -0.22 -0.13 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.62 1.00 -3.25 7.72 3.02 -1.26 -4.52 115.26 116.35 2yuz n ASN 84 Ca -0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.20 2yuz n ASN 84 Cb 0.35 1.60 0.01 0.00 -0.61 0.00 0.00 39.78 41.13 2yuz n ASN 84 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2yuz n VAL 85 N -2.22 0.00 -3.70 2.41 3.14 -1.26 -4.89 118.33 111.81 2yuz n VAL 85 Ca -0.08 -0.38 -0.14 0.00 -2.96 0.00 0.00 64.34 60.77 2yuz n VAL 85 Cb 0.58 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.22 2yuz n VAL 85 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2yuz s THR 86 N -1.53 -0.17 -0.47 1.55 -4.23 -1.26 -4.14 115.64 105.38 2yuz s THR 86 Ca 0.43 0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 2yuz s THR 86 Cb -0.38 -0.32 0.09 0.00 1.34 0.00 0.00 72.50 73.23 2yuz s THR 86 CO 0.51 0.10 0.37 -0.76 -0.54 0.00 0.00 174.62 174.30 2yuz s LEU 87 N 1.74 5.61 0.57 4.79 1.02 0.40 -4.93 118.68 127.88 2yuz s LEU 87 Ca -0.04 -1.53 -0.18 0.00 0.02 0.00 0.00 54.13 52.40 2yuz s LEU 87 Cb -0.12 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 2yuz s LEU 87 CO -0.07 -0.66 1.12 -2.16 0.02 0.00 0.00 176.35 174.60 2yuz s PRO 88 N 1.54 3.22 -0.16 1.29 0.04 -1.26 -1.48 135.00 138.19 2yuz s PRO 88 Ca 0.04 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 2yuz s PRO 88 Cb -0.25 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.34 2yuz s PRO 88 CO 0.04 -0.95 0.43 0.00 0.04 0.00 0.00 177.00 176.56 2yuz s ALA 89 N -1.91 -1.07 -0.07 8.56 0.00 0.82 -4.76 121.76 123.32 2yuz s ALA 89 Ca 0.71 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 2yuz s ALA 89 Cb -0.23 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2yuz s ALA 89 CO 0.30 -0.21 0.00 0.15 0.00 0.00 0.00 175.76 176.01 2yuz s LYS 90 N 0.28 2.97 0.01 0.00 1.02 -1.26 0.05 119.74 122.80 2yuz s LYS 90 Ca -0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 55.97 55.50 2yuz s LYS 90 Cb -0.03 -2.78 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 2yuz s LYS 90 CO -0.00 0.69 0.11 0.14 -0.92 0.00 0.00 175.35 175.37 2yuz s VAL 91 N -0.91 0.09 0.09 3.17 -7.23 0.12 -2.03 120.40 113.69 2yuz s VAL 91 Ca 0.14 -0.73 -0.09 0.00 -1.81 0.00 0.00 61.98 59.49 2yuz s VAL 91 Cb -0.11 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.43 2yuz s VAL 91 CO 0.03 -0.40 0.21 -2.28 -0.31 0.00 0.00 175.10 172.35 2yuz s HIS 92 N -1.40 0.12 -0.08 2.82 5.04 -1.22 -0.08 115.29 120.49 2yuz s HIS 92 Ca -0.15 -0.53 0.02 0.00 -1.54 0.00 0.00 55.06 52.86 2yuz s HIS 92 Cb -0.08 -0.03 0.01 0.00 0.04 0.00 0.00 32.58 32.52 2yuz s HIS 92 CO 0.01 -0.55 -0.14 0.54 -2.34 0.00 0.00 174.74 172.26 2yuz s VAL 93 N -3.80 1.31 -0.19 0.89 0.11 -1.26 -2.80 120.40 114.66 2yuz s VAL 93 Ca 0.04 -0.57 -0.16 0.00 -2.93 0.00 0.00 61.98 58.36 2yuz s VAL 93 Cb 0.04 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2yuz s VAL 93 CO -0.11 0.40 0.41 -0.63 -3.33 0.00 0.00 175.10 171.84 2yuz s ILE 94 N 0.70 5.19 0.18 7.04 1.01 -0.56 -4.82 121.20 129.95 2yuz s ILE 94 Ca -0.13 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 2yuz s ILE 94 Cb -0.16 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 2yuz s ILE 94 CO 0.03 0.26 1.07 -0.94 0.00 0.00 0.00 174.94 175.36 2yuz s SER 95 N 0.98 7.33 0.14 3.58 1.04 -1.26 -0.81 113.70 124.70 2yuz s SER 95 Ca 0.20 2.05 0.04 0.00 0.48 0.00 0.00 55.95 58.73 2yuz s SER 95 Cb -0.15 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 2yuz s SER 95 CO 0.08 -0.16 -0.10 -0.83 0.98 0.00 0.00 173.24 173.21 2yuz s GLY 96 N -0.25 1.03 0.00 7.32 0.00 -1.26 -4.96 107.32 109.19 2yuz s GLY 96 Ca 0.48 -1.46 0.13 0.00 0.00 0.00 0.00 44.72 43.87 2yuz s GLY 96 CO 0.34 -1.55 1.19 -1.55 0.00 0.00 0.00 173.10 171.53 2yuz n PRO 97 N -0.12 0.49 -3.00 2.90 -0.04 -1.26 -4.84 135.00 129.13 2yuz n PRO 97 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2yuz n PRO 97 Cb 0.60 -1.41 0.06 0.00 -0.04 0.00 0.00 33.50 32.71 2yuz n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yuz n SER 98 N -0.91 -2.05 -4.49 3.54 7.64 -1.26 -5.01 113.62 111.07 2yuz n SER 98 Ca 0.10 -0.43 -0.35 0.00 1.01 0.00 0.00 58.87 59.19 2yuz n SER 98 Cb 0.04 -3.74 -0.12 0.00 -1.01 0.00 0.00 64.21 59.39 2yuz n SER 98 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuz s SER 99 N -3.95 5.10 0.00 6.43 1.04 -1.26 -5.29 113.70 115.77 2yuz s SER 99 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2yuz s SER 99 Cb -0.00 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2yuz s SER 99 CO 0.51 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.41