#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuz n SER 2 N 0.00 1.75 -3.59 1.61 2.88 -1.26 -4.83 113.62 110.18 2yuz n SER 2 Ca 0.00 -1.10 -0.12 0.00 -1.33 0.00 0.00 58.87 56.31 2yuz n SER 2 Cb 0.00 -1.56 -0.05 0.00 -0.75 0.00 0.00 64.21 61.85 2yuz n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yuz s SER 3 N 10.71 0.45 0.47 -3.46 1.04 -1.26 -5.19 113.70 116.46 2yuz s SER 3 Ca 0.98 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 56.18 2yuz s SER 3 Cb -0.21 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2yuz s SER 3 CO 0.17 -1.22 0.03 -0.83 0.98 0.00 0.00 173.24 172.38 2yuz s GLY 4 N -3.15 2.76 0.30 7.32 0.00 -1.26 -5.16 107.32 108.13 2yuz s GLY 4 Ca 0.28 -1.29 0.08 0.00 0.00 0.00 0.00 44.72 43.79 2yuz s GLY 4 CO 0.15 -2.13 -0.08 -1.35 0.00 0.00 0.00 173.10 169.68 2yuz s SER 5 N -3.83 3.14 0.56 1.64 1.04 -1.26 -5.12 113.70 109.89 2yuz s SER 5 Ca 0.21 -1.18 -0.20 0.00 0.48 0.00 0.00 55.95 55.26 2yuz s SER 5 Cb 0.05 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 2yuz s SER 5 CO 0.11 -0.26 1.09 -0.24 0.98 0.00 0.00 173.24 174.91 2yuz n SER 6 N -0.65 1.39 0.00 7.02 2.88 -1.26 -4.92 113.62 118.08 2yuz n SER 6 Ca -0.05 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2yuz n SER 6 Cb 0.63 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2yuz n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuz n GLY 7 N 1.12 4.00 3.73 0.46 0.00 -1.26 -5.11 105.19 108.13 2yuz n GLY 7 Ca 0.12 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.75 0.99 2.96 -1.26 -4.86 118.68 119.99 2yuz s LEU 8 Ca 0.00 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2yuz s LEU 8 Cb 0.00 -2.17 0.18 0.00 0.50 0.00 0.00 46.19 44.70 2yuz s LEU 8 CO 0.00 0.16 0.56 1.17 -1.32 0.00 0.00 176.35 176.92 2yuz n LYS 9 N 3.50 2.01 -1.51 1.98 3.00 -1.26 -4.97 118.16 120.92 2yuz n LYS 9 Ca -0.15 -4.50 -0.38 0.00 -0.00 0.00 0.00 58.31 53.29 2yuz n LYS 9 Cb 0.52 -2.31 -0.15 0.00 0.00 0.00 0.00 35.03 33.09 2yuz n LYS 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2yuz n ILE 10 N 2.00 -0.01 -0.02 3.15 -0.00 -1.26 -3.61 119.36 119.61 2yuz n ILE 10 Ca 0.20 -0.15 -0.06 0.00 -0.00 0.00 0.00 62.75 62.75 2yuz n ILE 10 Cb 0.35 -0.70 -0.05 0.00 -0.00 0.00 0.00 39.64 39.25 2yuz n ILE 10 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2yuz h LEU 11 N 12.81 -0.07 -6.96 1.39 3.38 -1.87 -3.43 115.31 120.57 2yuz h LEU 11 Ca -0.06 -0.31 -0.61 0.00 0.09 0.00 0.00 57.88 56.99 2yuz h LEU 11 Cb 1.28 0.02 -0.40 0.00 0.09 0.00 0.00 40.66 41.65 2yuz h LEU 11 CO 1.39 0.56 -0.74 -0.89 0.09 0.00 0.00 178.44 178.85 2yuz s THR 12 N -2.17 1.44 0.60 0.22 2.01 -1.00 -4.98 115.64 111.76 2yuz s THR 12 Ca -0.08 -2.68 -0.17 0.00 0.31 0.00 0.00 61.69 59.07 2yuz s THR 12 Cb -0.01 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 2yuz s THR 12 CO 0.27 -0.92 1.12 -2.16 -0.69 0.00 0.00 174.62 172.24 2yuz s PRO 13 N 0.21 3.10 -0.41 4.92 0.04 -1.26 -0.15 135.00 141.45 2yuz s PRO 13 Ca 0.19 1.51 -0.43 0.00 0.04 0.00 0.00 61.00 62.31 2yuz s PRO 13 Cb -0.21 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.17 2yuz s PRO 13 CO -0.02 -1.03 1.78 1.28 0.04 0.00 0.00 177.00 179.05 2yuz n LEU 14 N -1.80 1.61 -4.83 -3.56 4.77 -1.26 -4.90 117.00 107.03 2yuz n LEU 14 Ca 0.11 1.01 -0.36 0.00 -0.03 0.00 0.00 56.01 56.74 2yuz n LEU 14 Cb 0.51 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 2yuz n LEU 14 CO 0.45 -0.68 0.27 0.42 -1.33 0.00 0.00 177.39 176.52 2yuz s THR 15 N 4.01 4.77 -0.09 -5.08 -4.23 -1.26 -4.71 115.64 109.06 2yuz s THR 15 Ca 1.06 1.02 -0.38 0.00 -1.18 0.00 0.00 61.69 62.20 2yuz s THR 15 Cb -1.30 -3.81 -0.16 0.00 1.34 0.00 0.00 72.50 68.57 2yuz s THR 15 CO 0.71 0.34 1.54 -0.90 -0.54 0.00 0.00 174.62 175.77 2yuz n ASP 16 N 1.08 2.02 -4.11 3.99 5.68 -1.26 -4.90 116.55 119.05 2yuz n ASP 16 Ca -0.06 1.10 -0.22 0.00 -0.50 0.00 0.00 54.79 55.10 2yuz n ASP 16 Cb 0.51 -1.17 -0.15 0.00 -1.14 0.00 0.00 41.12 39.18 2yuz n ASP 16 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2yuz s GLN 17 N 1.97 1.10 -0.10 0.11 2.00 -1.21 -5.06 119.66 118.47 2yuz s GLN 17 Ca 0.91 -0.55 0.01 0.00 -2.00 0.00 0.00 55.36 53.73 2yuz s GLN 17 Cb -1.00 -1.07 0.02 0.00 0.80 0.00 0.00 33.01 31.75 2yuz s GLN 17 CO 0.56 0.29 -0.11 0.99 -0.50 0.00 0.00 175.29 176.52 2yuz s THR 18 N -0.42 1.20 0.13 -0.34 2.01 -1.26 -3.55 115.64 113.42 2yuz s THR 18 Ca 0.05 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.64 2yuz s THR 18 Cb -0.06 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2yuz s THR 18 CO -0.00 0.39 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.53 2yuz s VAL 19 N 1.23 1.05 0.33 3.82 1.01 -1.13 -5.02 120.40 121.69 2yuz s VAL 19 Ca -0.03 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 59.69 2yuz s VAL 19 Cb -0.14 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 2yuz s VAL 19 CO -0.04 -0.76 0.96 0.20 0.00 0.00 0.00 175.10 175.46 2yuz s ASN 20 N -3.08 7.27 0.12 3.32 -0.87 -1.26 -3.16 114.94 117.27 2yuz s ASN 20 Ca 0.15 1.86 -0.31 0.00 -1.57 0.00 0.00 52.86 52.99 2yuz s ASN 20 Cb 0.03 -2.58 -0.10 0.00 -0.02 0.00 0.00 41.25 38.57 2yuz s ASN 20 CO -0.01 -0.12 1.85 -0.22 -2.57 0.00 0.00 177.10 176.03 2yuz s LEU 21 N -2.13 4.40 0.00 0.60 0.20 -1.19 -2.26 118.68 118.31 2yuz s LEU 21 Ca 0.51 2.76 0.00 0.00 0.69 0.00 0.00 54.13 58.09 2yuz s LEU 21 Cb -0.19 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2yuz s LEU 21 CO 0.24 -1.01 0.00 0.61 -0.29 0.00 0.00 176.35 175.90 2yuz n GLY 22 N 4.27 2.60 2.02 7.98 0.00 -0.31 -4.91 105.19 116.84 2yuz n GLY 22 Ca 0.18 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.59 -3.51 1.61 4.76 -0.96 -4.12 118.16 113.36 2yuz n LYS 23 Ca 0.00 -0.99 -0.38 0.00 -2.87 0.00 0.00 58.31 54.07 2yuz n LYS 23 Cb 0.00 -1.00 -0.09 0.00 -1.84 0.00 0.00 35.03 32.11 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 -4.41 4.09 0.52 1.97 2.12 -1.25 -0.91 118.70 120.83 2yuz s GLU 24 Ca 0.41 -0.04 -0.12 0.00 0.36 0.00 0.00 54.97 55.58 2yuz s GLU 24 Cb -0.05 -3.57 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 2yuz s GLU 24 CO 0.32 -0.05 0.92 0.42 -0.54 0.00 0.00 175.26 176.34 2yuz s ILE 25 N 1.37 4.70 -0.17 -3.70 1.01 -1.07 -4.89 121.20 118.46 2yuz s ILE 25 Ca 0.13 0.84 -0.15 0.00 0.00 0.00 0.00 60.65 61.47 2yuz s ILE 25 Cb -0.15 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.58 2yuz s ILE 25 CO 0.07 -0.82 0.44 0.00 0.00 0.00 0.00 174.94 174.64 2yuz s LEU 27 N 0.41 -0.40 0.04 0.00 1.43 -0.65 -4.96 118.68 114.55 2yuz s LEU 27 Ca -0.01 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 2yuz s LEU 27 Cb -0.04 0.86 -0.03 0.00 0.03 0.00 0.00 46.19 47.01 2yuz s LEU 27 CO -0.01 -0.26 -0.18 -0.75 0.23 0.00 0.00 176.35 175.38 2yuz s LYS 28 N 2.47 2.08 -0.12 1.70 2.20 -1.26 -0.39 119.74 126.42 2yuz s LYS 28 Ca 0.03 -0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 54.57 2yuz s LYS 28 Cb -0.13 -2.20 0.04 0.00 -1.51 0.00 0.00 37.83 34.03 2yuz s LYS 28 CO -0.11 0.54 0.31 0.00 -0.36 0.00 0.00 175.35 175.73 2yuz s GLU 30 N 0.45 3.01 0.24 0.00 2.12 0.79 -0.87 118.70 124.44 2yuz s GLU 30 Ca -0.02 -0.75 -0.10 0.00 0.36 0.00 0.00 54.97 54.45 2yuz s GLU 30 Cb -0.04 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.60 2yuz s GLU 30 CO -0.02 0.52 0.42 0.96 -0.54 0.00 0.00 175.26 176.60 2yuz s ILE 31 N -1.63 0.00 -0.83 -3.70 -4.36 -0.78 -2.38 121.20 107.53 2yuz s ILE 31 Ca 0.31 -1.52 -0.02 0.00 -0.26 0.00 0.00 60.65 59.16 2yuz s ILE 31 Cb -0.11 -2.27 0.36 0.00 1.25 0.00 0.00 42.46 41.69 2yuz s ILE 31 CO 0.24 0.00 2.03 -0.24 0.24 0.00 0.00 174.94 177.21 2yuz n SER 32 N -0.40 7.56 -3.53 4.36 2.88 -1.24 -4.83 113.62 118.42 2yuz n SER 32 Ca -0.01 -3.83 -0.09 0.00 -1.33 0.00 0.00 58.87 53.60 2yuz n SER 32 Cb 0.63 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.01 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 -4.05 1.20 -0.48 -1.46 0.41 -1.26 -4.55 118.70 108.51 2yuz s GLU 33 Ca 0.53 -0.51 0.07 0.00 -0.41 0.00 0.00 54.97 54.66 2yuz s GLU 33 Cb 0.45 0.51 0.38 0.00 -1.78 0.00 0.00 34.13 33.69 2yuz s GLU 33 CO -0.37 -0.53 0.98 0.09 -0.49 0.00 0.00 175.26 174.93 2yuz n ASN 34 N -0.36 3.83 -4.41 -0.19 4.13 -1.26 -4.38 115.26 112.62 2yuz n ASN 34 Ca -0.12 -3.52 -0.28 0.00 1.68 0.00 0.00 54.58 52.33 2yuz n ASN 34 Cb 0.63 -0.53 -0.12 0.00 -1.54 0.00 0.00 39.78 38.21 2yuz n ASN 34 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2yuz s ILE 35 N -4.46 2.37 0.07 2.41 -4.36 -1.26 -5.05 121.20 110.92 2yuz s ILE 35 Ca 0.45 -1.79 -0.31 0.00 -0.26 0.00 0.00 60.65 58.74 2yuz s ILE 35 Cb 0.35 -2.08 -0.07 0.00 1.25 0.00 0.00 42.46 41.91 2yuz s ILE 35 CO -0.13 0.04 1.39 -2.16 0.24 0.00 0.00 174.94 174.31 2yuz s PRO 36 N -2.24 4.31 0.18 0.37 0.04 -1.26 -4.88 135.00 131.52 2yuz s PRO 36 Ca 0.16 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2yuz s PRO 36 Cb -0.10 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2yuz s PRO 36 CO 0.08 -0.48 -0.18 0.20 0.04 0.00 0.00 177.00 176.65 2yuz s GLY 37 N 1.42 1.44 0.18 0.56 0.00 -1.26 -1.59 107.32 108.07 2yuz s GLY 37 Ca 0.64 -1.54 0.11 0.00 0.00 0.00 0.00 44.72 43.93 2yuz s GLY 37 CO 0.29 -1.60 -0.23 1.25 0.00 0.00 0.00 173.10 172.81 2yuz s LYS 38 N -2.94 1.56 0.35 2.90 2.20 -0.31 -4.94 119.74 118.56 2yuz s LYS 38 Ca 0.18 -1.46 0.03 0.00 -0.36 0.00 0.00 55.97 54.36 2yuz s LYS 38 Cb -0.05 -1.89 -0.02 0.00 -1.51 0.00 0.00 37.83 34.36 2yuz s LYS 38 CO 0.07 0.41 0.52 -1.58 -0.36 0.00 0.00 175.35 174.42 2yuz s TRP 39 N -1.56 3.28 -0.03 4.03 0.52 -1.26 -0.77 118.94 123.14 2yuz s TRP 39 Ca 0.20 0.05 -0.02 0.00 0.02 0.00 0.00 56.10 56.35 2yuz s TRP 39 Cb -0.08 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.26 2yuz s TRP 39 CO 0.10 0.00 0.07 0.95 0.02 0.00 0.00 176.95 178.08 2yuz s THR 40 N -2.27 -0.01 -0.03 2.01 -4.23 0.29 -2.99 115.64 108.41 2yuz s THR 40 Ca 0.43 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2yuz s THR 40 Cb -0.10 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.60 2yuz s THR 40 CO 0.33 0.02 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.63 2yuz s LYS 41 N 0.29 2.69 -1.45 3.99 2.47 0.17 -1.78 119.74 126.12 2yuz s LYS 41 Ca -0.02 -0.62 -0.14 0.00 -1.56 0.00 0.00 55.97 53.62 2yuz s LYS 41 Cb -0.03 -2.58 0.14 0.00 -1.46 0.00 0.00 37.83 33.90 2yuz s LYS 41 CO -0.01 0.63 0.36 0.09 0.16 0.00 0.00 175.35 176.59 2yuz n ASN 42 N 1.79 -0.91 -2.60 1.43 5.03 -1.18 0.10 115.26 118.92 2yuz n ASN 42 Ca -0.16 -1.01 -0.12 0.00 0.87 0.00 0.00 54.58 54.16 2yuz n ASN 42 Cb 0.53 -1.28 0.06 0.00 -1.02 0.00 0.00 39.78 38.07 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 -1.28 -0.08 3.41 7.41 0.00 -1.26 -5.04 105.19 108.35 2yuz n GLY 43 Ca 0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.91 -0.15 -0.41 0.99 0.05 0.29 -5.12 118.68 109.42 2yuz s LEU 44 Ca 0.04 0.33 -0.28 0.00 0.05 0.00 0.00 54.13 54.27 2yuz s LEU 44 Cb -0.02 2.15 -0.01 0.00 -2.05 0.00 0.00 46.19 46.26 2yuz s LEU 44 CO 0.48 -0.65 1.73 -2.16 -0.55 0.00 0.00 176.35 175.20 2yuz s PRO 45 N -1.93 3.24 0.14 1.48 0.04 -1.26 0.43 135.00 137.14 2yuz s PRO 45 Ca -0.08 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.80 2yuz s PRO 45 Cb -0.01 -4.20 -0.10 0.00 0.04 0.00 0.00 34.50 30.22 2yuz s PRO 45 CO 0.03 -1.98 1.73 0.08 0.04 0.00 0.00 177.00 176.89 2yuz s VAL 46 N 7.05 2.50 -1.01 -0.36 1.01 -1.16 -4.88 120.40 123.54 2yuz s VAL 46 Ca 0.73 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 2yuz s VAL 46 Cb -0.19 -3.12 0.16 0.00 0.00 0.00 0.00 36.38 33.23 2yuz s VAL 46 CO 0.31 0.01 1.18 0.00 0.00 0.00 0.00 175.10 176.60 2yuz s GLN 47 N 2.03 3.77 0.83 2.72 0.00 -1.26 -4.92 119.66 122.83 2yuz s GLN 47 Ca 0.76 -2.13 -0.17 0.00 -0.00 0.00 0.00 55.36 53.82 2yuz s GLN 47 Cb -0.46 -4.90 -0.13 0.00 0.00 0.00 0.00 33.01 27.52 2yuz s GLN 47 CO 0.34 -1.70 -0.43 0.39 0.00 0.00 0.00 175.29 173.89 2yuz n GLU 48 N 5.88 0.01 -3.77 9.60 4.71 -1.26 -4.99 120.64 130.81 2yuz n GLU 48 Ca 0.27 0.01 -0.08 0.00 -0.01 0.00 0.00 57.16 57.35 2yuz n GLU 48 Cb 0.47 -1.12 -0.02 0.00 -1.01 0.00 0.00 31.44 29.76 2yuz n GLU 48 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2yuz s SER 49 N -1.10 -0.32 0.28 1.62 0.15 -1.09 -4.96 113.70 108.29 2yuz s SER 49 Ca 0.48 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.73 2yuz s SER 49 Cb -0.29 0.70 0.85 0.00 -1.71 0.00 0.00 66.02 65.57 2yuz s SER 49 CO 0.75 -1.26 1.33 -0.67 1.20 0.00 0.00 173.24 174.59 2yuz n ASP 50 N -0.44 0.07 0.10 5.45 2.03 -1.26 -0.59 116.55 121.91 2yuz n ASP 50 Ca -0.07 1.42 -0.07 0.00 0.52 0.00 0.00 54.79 56.59 2yuz n ASP 50 Cb 0.60 -0.59 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 2yuz n ASP 50 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2yuz h ARG 51 N 0.00 -0.33 -6.13 -0.67 3.08 -1.99 -3.42 114.38 104.92 2yuz h ARG 51 Ca 0.60 0.02 -0.53 0.00 0.07 0.00 0.00 59.98 60.14 2yuz h ARG 51 Cb 1.41 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 2yuz h ARG 51 CO -0.73 -0.12 1.30 -1.17 -1.07 0.00 0.00 179.97 178.18 2yuz s LEU 52 N -8.95 3.38 -0.15 3.04 0.20 0.25 -3.49 118.68 112.95 2yuz s LEU 52 Ca -0.08 0.63 -0.04 0.00 0.69 0.00 0.00 54.13 55.34 2yuz s LEU 52 Cb 0.00 -2.91 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 2yuz s LEU 52 CO 0.25 -2.08 -0.02 -0.75 -0.29 0.00 0.00 176.35 173.46 2yuz s LYS 53 N 6.41 3.63 -0.45 1.98 2.20 -1.20 -2.65 119.74 129.65 2yuz s LYS 53 Ca 0.69 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 2yuz s LYS 53 Cb -0.15 -2.93 0.12 0.00 -1.51 0.00 0.00 37.83 33.36 2yuz s LYS 53 CO 0.25 0.30 0.20 0.08 -0.36 0.00 0.00 175.35 175.82 2yuz s VAL 54 N 0.23 2.74 0.04 4.02 1.01 -1.26 -2.86 120.40 124.32 2yuz s VAL 54 Ca -0.02 -2.73 -0.18 0.00 0.00 0.00 0.00 61.98 59.05 2yuz s VAL 54 Cb -0.14 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 2yuz s VAL 54 CO 0.03 -0.72 0.52 -0.69 0.00 0.00 0.00 175.10 174.23 2yuz s VAL 55 N 0.38 4.85 -0.07 2.92 1.01 -0.55 -5.00 120.40 123.94 2yuz s VAL 55 Ca 0.14 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.24 2yuz s VAL 55 Cb -0.22 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2yuz s VAL 55 CO -0.04 0.55 -0.18 -1.58 0.00 0.00 0.00 175.10 173.85 2yuz s GLN 56 N -1.02 2.17 -0.18 2.72 0.74 -1.26 -0.93 119.66 121.89 2yuz s GLN 56 Ca 0.27 -0.64 -0.01 0.00 0.05 0.00 0.00 55.36 55.04 2yuz s GLN 56 Cb -0.18 -1.76 0.05 0.00 1.10 0.00 0.00 33.01 32.22 2yuz s GLN 56 CO 0.17 0.15 -0.02 0.15 -0.55 0.00 0.00 175.29 175.20 2yuz s LYS 57 N 0.34 1.14 4.49 1.67 1.02 0.32 -4.98 119.74 123.74 2yuz s LYS 57 Ca -0.12 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.33 2yuz s LYS 57 Cb -0.15 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2yuz s LYS 57 CO 0.05 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 2yuz n GLY 58 N 4.91 3.07 0.25 -3.33 0.00 -1.26 0.01 105.19 108.84 2yuz n GLY 58 Ca -0.11 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 14.00 1.33 -4.62 1.61 1.74 -1.26 -4.80 116.66 124.66 2yuz n ARG 59 Ca 0.00 -0.50 -0.34 0.00 -0.77 0.00 0.00 57.85 56.24 2yuz n ARG 59 Cb 0.00 -1.26 -0.12 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.87 3.60 -0.19 0.55 1.09 0.10 -1.87 121.20 122.62 2yuz s ILE 60 Ca 0.23 -0.50 -0.01 0.00 -1.10 0.00 0.00 60.65 59.28 2yuz s ILE 60 Cb 0.12 -2.50 0.01 0.00 -1.06 0.00 0.00 42.46 39.03 2yuz s ILE 60 CO 0.18 0.56 -0.14 -1.00 -0.10 0.00 0.00 174.94 174.45 2yuz s HIS 61 N -0.37 2.84 -0.06 3.97 3.76 -0.05 -0.52 115.29 124.85 2yuz s HIS 61 Ca 0.05 -1.28 0.02 0.00 -0.15 0.00 0.00 55.06 53.71 2yuz s HIS 61 Cb -0.12 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 2yuz s HIS 61 CO 0.02 -0.65 -0.12 0.21 -0.85 0.00 0.00 174.74 173.35 2yuz s LYS 62 N 1.26 2.66 -0.24 1.40 2.20 -0.11 -1.56 119.74 125.34 2yuz s LYS 62 Ca 0.03 -0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 54.96 2yuz s LYS 62 Cb -0.14 -2.47 0.08 0.00 -1.51 0.00 0.00 37.83 33.79 2yuz s LYS 62 CO -0.07 0.60 0.09 -1.17 -0.36 0.00 0.00 175.35 174.44 2yuz s LEU 63 N -0.66 1.02 -0.11 5.43 0.20 0.48 -1.49 118.68 123.54 2yuz s LEU 63 Ca 0.10 -1.07 -0.00 0.00 0.69 0.00 0.00 54.13 53.85 2yuz s LEU 63 Cb -0.11 -0.50 -0.02 0.00 -0.43 0.00 0.00 46.19 45.13 2yuz s LEU 63 CO 0.01 -0.38 -0.11 0.68 -0.29 0.00 0.00 176.35 176.27 2yuz s VAL 64 N 1.94 3.26 0.22 1.68 -7.23 -1.13 -1.64 120.40 117.50 2yuz s VAL 64 Ca 0.05 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2yuz s VAL 64 Cb -0.17 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2yuz s VAL 64 CO -0.20 0.54 0.40 -0.63 -0.31 0.00 0.00 175.10 174.90 2yuz s ILE 65 N 0.06 5.21 0.00 -0.62 1.01 -0.76 -3.23 121.20 122.87 2yuz s ILE 65 Ca -0.04 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2yuz s ILE 65 Cb -0.14 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2yuz s ILE 65 CO 0.04 -0.24 0.86 0.00 0.00 0.00 0.00 174.94 175.60 2yuz h ALA 66 N 1.74 -0.82 -3.34 9.38 0.00 -1.88 -2.82 119.26 121.52 2yuz h ALA 66 Ca -0.49 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 53.80 2yuz h ALA 66 Cb 1.20 0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.71 2yuz h ALA 66 CO 0.66 -0.80 -0.80 -0.80 0.00 0.00 0.00 179.25 177.51 2yuz s ASN 67 N -2.74 2.93 -0.10 0.00 -0.87 -1.26 -3.91 114.94 108.99 2yuz s ASN 67 Ca -0.04 -0.69 -0.34 0.00 -1.57 0.00 0.00 52.86 50.22 2yuz s ASN 67 Cb 0.00 -0.99 -0.11 0.00 -0.02 0.00 0.00 41.25 40.13 2yuz s ASN 67 CO 0.11 -0.17 1.92 0.00 -2.57 0.00 0.00 177.10 176.39 2yuz n ALA 68 N 4.83 0.97 -2.41 0.60 0.00 -0.09 -4.71 120.51 119.70 2yuz n ALA 68 Ca -0.13 0.24 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 2yuz n ALA 68 Cb 0.48 -2.53 -0.13 0.00 0.00 0.00 0.00 19.45 17.27 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 4.49 2.35 0.20 0.00 1.43 -1.26 -1.16 118.68 124.72 2yuz s LEU 69 Ca 0.94 -0.78 0.12 0.00 -1.03 0.00 0.00 54.13 53.38 2yuz s LEU 69 Cb -0.67 -1.17 0.64 0.00 0.03 0.00 0.00 46.19 45.03 2yuz s LEU 69 CO 0.50 0.15 1.32 0.41 0.23 0.00 0.00 176.35 178.96 2yuz n THR 70 N 0.74 1.24 0.18 5.49 -1.04 -1.26 -0.24 114.28 119.39 2yuz n THR 70 Ca -0.17 0.65 0.07 0.00 -2.04 0.00 0.00 64.05 62.57 2yuz n THR 70 Cb 0.54 -1.65 0.16 0.00 -1.82 0.00 0.00 70.33 67.56 2yuz n THR 70 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2yuz h GLU 71 N 0.00 0.00 0.00 -2.82 4.11 -1.98 -3.19 114.58 110.69 2yuz h GLU 71 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2yuz h GLU 71 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2yuz h GLU 71 CO 0.00 0.28 -1.16 -0.44 0.07 0.00 0.00 179.01 177.75 2yuz h ASP 72 N 0.00 0.00 -2.71 3.06 3.32 -1.03 -3.45 116.42 115.61 2yuz h ASP 72 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2yuz h ASP 72 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 2yuz h ASP 72 CO 0.04 0.62 1.15 -0.70 -1.72 0.00 0.00 179.24 178.63 2yuz s GLU 73 N -2.89 3.76 0.00 3.56 2.12 -1.19 -4.49 118.70 119.57 2yuz s GLU 73 Ca -0.01 1.71 0.00 0.00 0.36 0.00 0.00 54.97 57.03 2yuz s GLU 73 Cb 0.08 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.41 2yuz s GLU 73 CO 0.80 -1.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 2yuz n GLY 74 N 4.74 -2.03 3.33 -1.50 0.00 -1.26 -5.01 105.19 103.46 2yuz n GLY 74 Ca 0.19 0.76 -0.03 0.00 0.00 0.00 0.00 46.02 46.94 2yuz n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yuz s ASP 75 N -4.00 -0.76 -0.17 1.61 -1.08 -1.26 -4.39 116.67 106.63 2yuz s ASP 75 Ca 0.00 1.08 -0.07 0.00 -0.52 0.00 0.00 52.55 53.04 2yuz s ASP 75 Cb 0.00 1.84 -0.04 0.00 -1.46 0.00 0.00 42.92 43.26 2yuz s ASP 75 CO 0.00 -0.24 0.06 -0.31 0.52 0.00 0.00 175.17 175.19 2yuz s TYR 76 N 2.76 3.26 -0.03 -5.34 2.02 -0.75 -3.12 117.35 116.16 2yuz s TYR 76 Ca 0.04 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2yuz s TYR 76 Cb -0.13 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2yuz s TYR 76 CO -0.17 0.23 -0.03 0.08 -1.57 0.00 0.00 175.55 174.08 2yuz s VAL 77 N 0.12 0.39 -0.09 0.71 1.01 -0.73 -1.10 120.40 120.71 2yuz s VAL 77 Ca 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2yuz s VAL 77 Cb -0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2yuz s VAL 77 CO 0.01 0.17 -0.12 0.12 0.00 0.00 0.00 175.10 175.28 2yuz s PHE 78 N 0.63 2.81 -0.02 5.22 2.19 -1.16 0.11 117.98 127.76 2yuz s PHE 78 Ca -0.07 -0.31 0.02 0.00 0.33 0.00 0.00 56.93 56.90 2yuz s PHE 78 Cb -0.11 -1.74 0.00 0.00 -1.31 0.00 0.00 43.02 39.86 2yuz s PHE 78 CO -0.00 0.06 -0.07 0.00 1.83 0.00 0.00 175.22 177.03 2yuz s ALA 79 N -0.28 0.69 0.63 11.12 0.00 0.05 -1.87 121.76 132.09 2yuz s ALA 79 Ca 0.02 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 2yuz s ALA 79 Cb -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2yuz s ALA 79 CO 0.03 0.12 1.11 -1.25 0.00 0.00 0.00 175.76 175.77 2yuz s PRO 80 N 0.14 2.95 -0.01 0.00 0.04 -1.25 -1.17 135.00 135.70 2yuz s PRO 80 Ca -0.02 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2yuz s PRO 80 Cb -0.07 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.60 2yuz s PRO 80 CO 0.00 -1.14 0.97 -0.25 0.04 0.00 0.00 177.00 176.62 2yuz n ASP 81 N -2.11 0.85 0.00 6.66 8.00 -0.62 -3.61 116.55 125.72 2yuz n ASP 81 Ca 0.11 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.57 2yuz n ASP 81 Cb 0.52 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2yuz n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuz n ALA 82 N -0.12 1.61 -2.51 2.24 0.00 -1.26 -5.06 120.51 115.41 2yuz n ALA 82 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 2yuz n ALA 82 Cb 0.17 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 2yuz n ALA 82 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2yuz s TYR 83 N -1.46 2.34 -0.96 0.00 2.02 -1.24 -5.04 117.35 113.03 2yuz s TYR 83 Ca 0.00 -0.69 0.17 0.00 -0.37 0.00 0.00 57.07 56.18 2yuz s TYR 83 Cb 0.00 -1.88 0.66 0.00 -0.40 0.00 0.00 41.96 40.34 2yuz s TYR 83 CO 0.00 0.14 1.57 0.27 -1.57 0.00 0.00 175.55 175.96 2yuz n ASN 84 N -1.28 4.50 -4.77 2.29 0.23 -1.26 -4.04 115.26 110.93 2yuz n ASN 84 Ca -0.05 -2.49 -0.40 0.00 -0.53 0.00 0.00 54.58 51.12 2yuz n ASN 84 Cb 0.65 -0.54 0.01 0.00 -2.08 0.00 0.00 39.78 37.82 2yuz n ASN 84 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2yuz s VAL 85 N -1.91 2.30 -0.06 3.53 1.01 -1.26 -4.97 120.40 119.04 2yuz s VAL 85 Ca 0.47 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 2yuz s VAL 85 Cb 0.31 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.56 2yuz s VAL 85 CO 0.21 0.04 -0.01 0.42 0.00 0.00 0.00 175.10 175.77 2yuz s THR 86 N -1.23 0.39 -0.47 3.92 -4.23 -1.26 -3.94 115.64 108.82 2yuz s THR 86 Ca 0.60 0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 61.05 2yuz s THR 86 Cb -0.41 -0.52 0.09 0.00 1.34 0.00 0.00 72.50 72.99 2yuz s THR 86 CO 0.53 0.25 0.37 -0.76 -0.54 0.00 0.00 174.62 174.47 2yuz s LEU 87 N 1.74 5.62 0.61 4.79 1.02 -0.78 -4.91 118.68 126.77 2yuz s LEU 87 Ca 0.02 -1.53 -0.17 0.00 0.02 0.00 0.00 54.13 52.47 2yuz s LEU 87 Cb -0.13 -2.12 -0.02 0.00 0.02 0.00 0.00 46.19 43.94 2yuz s LEU 87 CO -0.04 -0.66 1.12 -2.16 0.02 0.00 0.00 176.35 174.62 2yuz s PRO 88 N 1.54 3.03 -0.24 1.29 0.04 -1.26 -2.98 135.00 136.42 2yuz s PRO 88 Ca 0.04 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 2yuz s PRO 88 Cb -0.25 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.38 2yuz s PRO 88 CO 0.04 -1.09 0.67 0.00 0.04 0.00 0.00 177.00 176.67 2yuz s ALA 89 N -2.11 -1.67 -0.11 8.56 0.00 -0.26 -4.62 121.76 121.56 2yuz s ALA 89 Ca 0.69 1.87 -0.01 0.00 0.00 0.00 0.00 51.96 54.51 2yuz s ALA 89 Cb -0.22 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2yuz s ALA 89 CO 0.36 -0.32 -0.06 0.21 0.00 0.00 0.00 175.76 175.95 2yuz s LYS 90 N 0.29 3.21 0.12 0.00 2.20 -1.26 -1.81 119.74 122.48 2yuz s LYS 90 Ca -0.01 -0.54 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2yuz s LYS 90 Cb -0.05 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 2yuz s LYS 90 CO 0.01 0.45 -0.14 0.14 -0.36 0.00 0.00 175.35 175.46 2yuz s VAL 91 N -0.22 1.29 -0.05 4.02 -7.23 -1.26 -3.33 120.40 113.63 2yuz s VAL 91 Ca 0.03 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2yuz s VAL 91 Cb -0.13 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.34 2yuz s VAL 91 CO 0.03 -0.41 0.11 -1.00 -0.31 0.00 0.00 175.10 173.51 2yuz s HIS 92 N -2.11 -0.12 -0.07 2.82 3.76 -1.23 -4.08 115.29 114.26 2yuz s HIS 92 Ca 0.08 0.33 0.04 0.00 -0.15 0.00 0.00 55.06 55.36 2yuz s HIS 92 Cb -0.05 -0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.60 2yuz s HIS 92 CO 0.03 -0.09 -0.18 0.54 -0.85 0.00 0.00 174.74 174.19 2yuz s VAL 93 N 0.48 2.72 0.04 -0.90 0.11 -1.26 -2.86 120.40 118.73 2yuz s VAL 93 Ca -0.03 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 57.89 2yuz s VAL 93 Cb -0.05 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 2yuz s VAL 93 CO -0.02 0.57 1.10 -0.63 -3.33 0.00 0.00 175.10 172.78 2yuz s ILE 94 N -0.30 4.41 -0.00 7.04 1.09 -1.19 -4.85 121.20 127.40 2yuz s ILE 94 Ca 0.02 1.74 0.06 0.00 -1.10 0.00 0.00 60.65 61.37 2yuz s ILE 94 Cb -0.13 -4.11 -0.03 0.00 -1.06 0.00 0.00 42.46 37.13 2yuz s ILE 94 CO 0.03 0.14 -0.19 -0.94 -0.10 0.00 0.00 174.94 173.88 2yuz s SER 95 N 0.99 3.68 -0.30 3.58 1.04 -1.26 -3.17 113.70 118.26 2yuz s SER 95 Ca 0.55 -0.37 -0.19 0.00 0.48 0.00 0.00 55.95 56.42 2yuz s SER 95 Cb -0.26 -0.61 0.19 0.00 0.10 0.00 0.00 66.02 65.44 2yuz s SER 95 CO 0.29 0.30 1.29 -0.83 0.98 0.00 0.00 173.24 175.27 2yuz s GLY 96 N -1.03 0.22 0.00 7.32 0.00 -1.26 -5.00 107.32 107.56 2yuz s GLY 96 Ca 0.12 3.57 0.16 0.00 0.00 0.00 0.00 44.72 48.57 2yuz s GLY 96 CO 0.02 3.54 1.34 -1.55 0.00 0.00 0.00 173.10 176.46 2yuz n PRO 97 N 4.77 0.49 -1.01 2.90 -0.04 -1.26 -4.85 135.00 136.00 2yuz n PRO 97 Ca -0.07 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.91 2yuz n PRO 97 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 2yuz n PRO 97 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yuz n SER 98 N -1.00 0.59 -3.60 3.54 3.41 -1.26 -4.86 113.62 110.44 2yuz n SER 98 Ca 0.12 0.53 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 2yuz n SER 98 Cb 0.05 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 2yuz n SER 98 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yuz s SER 99 N 4.90 -0.48 0.00 4.04 0.15 -1.26 -5.28 113.70 115.77 2yuz s SER 99 Ca 0.97 0.73 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2yuz s SER 99 Cb -1.19 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2yuz s SER 99 CO 0.52 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.28