#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 6.31 0.10 1.61 0.01 -1.26 -4.89 113.70 115.58 2yuz s SER 2 Ca 0.00 0.59 -0.20 0.00 1.31 0.00 0.00 55.95 57.65 2yuz s SER 2 Cb 0.00 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 2yuz s SER 2 CO 0.00 -1.50 1.67 0.28 0.41 0.00 0.00 173.24 174.10 2yuz h SER 3 N 10.59 0.27 -4.49 2.44 0.02 -2.14 -3.43 113.55 116.82 2yuz h SER 3 Ca -0.27 -0.12 -0.69 0.00 -0.84 0.00 0.00 61.79 59.87 2yuz h SER 3 Cb 1.09 -0.07 -0.29 0.00 0.14 0.00 0.00 62.40 63.28 2yuz h SER 3 CO 1.12 0.32 -0.88 -0.83 -1.14 0.00 0.00 176.83 175.42 2yuz s GLY 4 N -2.64 1.28 -0.24 -3.77 0.00 -1.26 -5.12 107.32 95.58 2yuz s GLY 4 Ca -0.13 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.31 2yuz s GLY 4 CO 0.71 -0.98 0.27 -0.56 0.00 0.00 0.00 173.10 172.53 2yuz s SER 5 N -0.80 6.23 -0.19 1.64 0.01 -1.26 -5.06 113.70 114.27 2yuz s SER 5 Ca 0.10 0.25 -0.07 0.00 1.31 0.00 0.00 55.95 57.55 2yuz s SER 5 Cb -0.10 -2.16 0.09 0.00 0.21 0.00 0.00 66.02 64.06 2yuz s SER 5 CO 0.00 -0.03 0.40 -0.44 0.41 0.00 0.00 173.24 173.58 2yuz s SER 6 N 1.20 -0.17 -0.41 2.44 0.01 -1.26 -5.03 113.70 110.48 2yuz s SER 6 Ca 0.12 0.94 0.09 0.00 1.31 0.00 0.00 55.95 58.41 2yuz s SER 6 Cb -0.14 1.26 0.34 0.00 0.21 0.00 0.00 66.02 67.69 2yuz s SER 6 CO 0.07 -0.23 0.94 0.61 0.41 0.00 0.00 173.24 175.04 2yuz n GLY 7 N 5.39 2.03 2.80 3.44 0.00 -1.26 -5.10 105.19 112.49 2yuz n GLY 7 Ca -0.08 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.40 0.81 -0.02 0.99 2.96 -1.26 -5.06 118.68 114.69 2yuz s LEU 8 Ca 0.30 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 2yuz s LEU 8 Cb 0.33 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.56 2yuz s LEU 8 CO -0.06 -0.15 -0.08 -0.75 -1.32 0.00 0.00 176.35 173.98 2yuz s LYS 9 N 1.65 2.58 -0.37 1.98 2.47 -1.26 -5.02 119.74 121.76 2yuz s LYS 9 Ca 0.00 -0.68 -0.19 0.00 -1.56 0.00 0.00 55.97 53.54 2yuz s LYS 9 Cb -0.13 -2.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.75 2yuz s LYS 9 CO -0.04 0.62 0.56 0.42 0.16 0.00 0.00 175.35 177.07 2yuz s ILE 10 N -0.90 4.96 -0.01 5.43 1.09 -1.26 -2.17 121.20 128.34 2yuz s ILE 10 Ca 0.15 0.30 -0.00 0.00 -1.10 0.00 0.00 60.65 59.99 2yuz s ILE 10 Cb -0.11 -4.04 -0.00 0.00 -1.06 0.00 0.00 42.46 37.25 2yuz s ILE 10 CO 0.05 -0.33 0.06 -0.07 -0.10 0.00 0.00 174.94 174.55 2yuz h LEU 11 N 9.27 -0.01 -7.54 2.97 3.38 -1.81 -3.43 115.31 118.15 2yuz h LEU 11 Ca -0.27 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.99 2yuz h LEU 11 Cb 1.11 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.53 2yuz h LEU 11 CO 0.81 0.04 -0.24 -0.89 0.09 0.00 0.00 178.44 178.25 2yuz s THR 12 N -1.18 4.11 0.52 0.22 2.01 -1.02 -4.95 115.64 115.35 2yuz s THR 12 Ca -0.00 -3.11 -0.20 0.00 0.31 0.00 0.00 61.69 58.69 2yuz s THR 12 Cb 0.00 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 2yuz s THR 12 CO 0.00 -0.95 1.14 -2.16 -0.69 0.00 0.00 174.62 171.97 2yuz s PRO 13 N -0.33 3.47 0.98 4.92 0.04 -1.26 0.05 135.00 142.85 2yuz s PRO 13 Ca 0.19 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 2yuz s PRO 13 Cb -0.16 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 2yuz s PRO 13 CO -0.06 -0.77 -0.20 1.28 0.04 0.00 0.00 177.00 177.29 2yuz n LEU 14 N -1.08 -3.10 -4.08 -3.56 4.77 -1.26 -4.88 117.00 103.81 2yuz n LEU 14 Ca 0.10 0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.17 2yuz n LEU 14 Cb 0.50 -0.98 -0.13 0.00 -2.33 0.00 0.00 43.42 40.48 2yuz n LEU 14 CO 0.44 -4.81 -0.43 0.42 -1.33 0.00 0.00 177.39 171.67 2yuz s THR 15 N -2.20 0.76 0.15 -5.08 -4.23 -1.26 -4.95 115.64 98.83 2yuz s THR 15 Ca 0.48 -0.86 -0.34 0.00 -1.18 0.00 0.00 61.69 59.79 2yuz s THR 15 Cb -0.19 -0.73 -0.15 0.00 1.34 0.00 0.00 72.50 72.77 2yuz s THR 15 CO 0.75 -0.11 1.39 -0.90 -0.54 0.00 0.00 174.62 175.22 2yuz n ASP 16 N 1.97 2.22 -3.87 3.99 5.75 -1.26 -4.77 116.55 120.57 2yuz n ASP 16 Ca -0.19 1.12 -0.20 0.00 -0.01 0.00 0.00 54.79 55.51 2yuz n ASP 16 Cb 0.55 -1.31 -0.16 0.00 -1.03 0.00 0.00 41.12 39.17 2yuz n ASP 16 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2yuz s GLN 17 N 0.32 0.76 0.00 0.11 2.00 -1.00 -5.01 119.66 116.84 2yuz s GLN 17 Ca 0.78 -0.07 0.04 0.00 -2.00 0.00 0.00 55.36 54.11 2yuz s GLN 17 Cb -0.80 -0.82 -0.01 0.00 0.80 0.00 0.00 33.01 32.18 2yuz s GLN 17 CO 0.45 -0.11 -0.13 0.99 -0.50 0.00 0.00 175.29 176.00 2yuz s THR 18 N 1.02 1.03 0.30 -0.34 2.01 -1.26 -3.13 115.64 115.26 2yuz s THR 18 Ca -0.10 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 2yuz s THR 18 Cb -0.14 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2yuz s THR 18 CO -0.01 0.21 0.54 0.68 -0.69 0.00 0.00 174.62 175.36 2yuz s VAL 19 N -0.44 0.00 0.26 3.82 -7.23 -1.15 -5.01 120.40 110.65 2yuz s VAL 19 Ca 0.04 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2yuz s VAL 19 Cb -0.06 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 2yuz s VAL 19 CO -0.00 0.00 0.66 0.21 -0.31 0.00 0.00 175.10 175.65 2yuz s ASN 20 N -3.08 6.76 0.06 4.85 2.47 -1.26 -2.04 114.94 122.71 2yuz s ASN 20 Ca 0.23 1.16 -0.37 0.00 0.42 0.00 0.00 52.86 54.30 2yuz s ASN 20 Cb -0.02 -2.32 -0.17 0.00 -1.45 0.00 0.00 41.25 37.30 2yuz s ASN 20 CO 0.12 -0.10 1.37 -0.11 -3.72 0.00 0.00 177.10 174.66 2yuz n LEU 21 N -0.04 1.72 0.00 3.21 0.00 0.40 -0.98 117.00 121.30 2yuz n LEU 21 Ca 0.01 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.13 2yuz n LEU 21 Cb 0.53 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.76 2yuz n LEU 21 CO 0.43 -0.99 0.00 0.61 0.00 0.00 0.00 177.39 177.44 2yuz n GLY 22 N 2.66 2.86 3.52 -3.96 0.00 -1.23 -4.90 105.19 104.14 2yuz n GLY 22 Ca 0.19 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.79 -3.21 1.61 4.76 -0.16 -4.10 118.16 116.27 2yuz n LYS 23 Ca 0.00 -0.18 -0.44 0.00 -2.87 0.00 0.00 58.31 54.82 2yuz n LYS 23 Cb 0.00 -2.12 -0.06 0.00 -1.84 0.00 0.00 35.03 31.01 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 -4.17 3.07 0.58 1.97 2.12 -1.26 -1.69 118.70 119.31 2yuz s GLU 24 Ca 0.63 -1.13 -0.17 0.00 0.36 0.00 0.00 54.97 54.66 2yuz s GLU 24 Cb -0.22 -4.15 -0.04 0.00 0.26 0.00 0.00 34.13 29.98 2yuz s GLU 24 CO 0.63 -1.24 1.09 0.42 -0.54 0.00 0.00 175.26 175.61 2yuz s ILE 25 N 2.35 3.45 -0.13 -3.70 1.01 -1.14 -4.84 121.20 118.21 2yuz s ILE 25 Ca 0.11 0.79 -0.21 0.00 0.00 0.00 0.00 60.65 61.34 2yuz s ILE 25 Cb -0.22 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.01 2yuz s ILE 25 CO 0.09 -0.31 0.53 0.00 0.00 0.00 0.00 174.94 175.25 2yuz s LEU 27 N -0.40 2.34 -0.03 0.00 1.43 -0.88 -4.96 118.68 116.18 2yuz s LEU 27 Ca -0.05 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 2yuz s LEU 27 Cb -0.03 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.10 2yuz s LEU 27 CO 0.04 -0.30 0.05 -0.75 0.23 0.00 0.00 176.35 175.62 2yuz s LYS 28 N -2.35 -0.01 -0.03 1.70 2.20 -1.26 -2.50 119.74 117.49 2yuz s LYS 28 Ca -0.03 0.21 -0.10 0.00 -0.36 0.00 0.00 55.97 55.69 2yuz s LYS 28 Cb -0.05 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.08 2yuz s LYS 28 CO -0.02 -0.15 0.22 0.00 -0.36 0.00 0.00 175.35 175.04 2yuz s GLU 30 N -0.85 1.36 0.23 0.00 2.12 0.11 -0.44 118.70 121.22 2yuz s GLU 30 Ca -0.09 -1.43 0.03 0.00 0.36 0.00 0.00 54.97 53.84 2yuz s GLU 30 Cb -0.05 -1.55 -0.01 0.00 0.26 0.00 0.00 34.13 32.78 2yuz s GLU 30 CO 0.02 0.33 0.12 0.44 -0.54 0.00 0.00 175.26 175.63 2yuz n ILE 31 N 0.37 0.00 -1.35 -3.70 -5.35 -0.98 -2.43 119.36 105.93 2yuz n ILE 31 Ca -0.14 -1.43 -0.28 0.00 -0.27 0.00 0.00 62.75 60.63 2yuz n ILE 31 Cb 0.56 0.59 0.12 0.00 -1.74 0.00 0.00 39.64 39.17 2yuz n ILE 31 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2yuz n SER 32 N -1.92 5.70 -3.61 7.28 2.88 -0.92 -4.68 113.62 118.35 2yuz n SER 32 Ca -0.01 -3.72 -0.01 0.00 -1.33 0.00 0.00 58.87 53.80 2yuz n SER 32 Cb 0.36 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 62.95 2yuz n SER 32 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2yuz s GLU 33 N -3.58 0.33 -0.71 -1.46 1.03 -1.26 -4.85 118.70 108.21 2yuz s GLU 33 Ca 0.60 -0.16 0.05 0.00 0.03 0.00 0.00 54.97 55.48 2yuz s GLU 33 Cb 0.49 0.13 0.22 0.00 -0.80 0.00 0.00 34.13 34.17 2yuz s GLU 33 CO 0.04 -0.15 0.70 0.09 -1.33 0.00 0.00 175.26 174.61 2yuz n ASN 34 N -0.32 3.70 -4.42 0.83 4.13 -1.26 -4.51 115.26 113.41 2yuz n ASN 34 Ca -0.05 -3.34 -0.29 0.00 1.68 0.00 0.00 54.58 52.58 2yuz n ASN 34 Cb 0.61 -0.76 -0.12 0.00 -1.54 0.00 0.00 39.78 37.96 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 -2.08 2.39 -0.23 2.41 -4.36 -1.26 -5.02 121.20 113.06 2yuz s ILE 35 Ca 0.33 -1.75 -0.29 0.00 -0.26 0.00 0.00 60.65 58.69 2yuz s ILE 35 Cb 0.06 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 2yuz s ILE 35 CO -0.07 0.06 1.61 -2.16 0.24 0.00 0.00 174.94 174.63 2yuz s PRO 36 N -2.17 3.77 0.45 0.37 0.04 -1.26 -4.92 135.00 131.28 2yuz s PRO 36 Ca 0.16 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2yuz s PRO 36 Cb -0.10 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 2yuz s PRO 36 CO 0.07 -1.32 0.10 0.20 0.04 0.00 0.00 177.00 176.09 2yuz s GLY 37 N 4.28 2.58 0.06 0.56 0.00 -1.26 -3.06 107.32 110.47 2yuz s GLY 37 Ca 0.71 -1.65 0.04 0.00 0.00 0.00 0.00 44.72 43.82 2yuz s GLY 37 CO 0.29 -2.06 -0.12 1.25 0.00 0.00 0.00 173.10 172.47 2yuz s LYS 38 N -3.86 0.73 0.43 2.90 2.20 -0.72 -4.92 119.74 116.51 2yuz s LYS 38 Ca 0.29 -0.87 -0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2yuz s LYS 38 Cb 0.05 -0.67 -0.01 0.00 -1.51 0.00 0.00 37.83 35.69 2yuz s LYS 38 CO 0.16 0.15 0.65 -1.58 -0.36 0.00 0.00 175.35 174.37 2yuz s TRP 39 N -1.25 3.31 -0.17 4.03 0.52 -1.26 -1.45 118.94 122.66 2yuz s TRP 39 Ca -0.04 0.30 -0.10 0.00 0.02 0.00 0.00 56.10 56.28 2yuz s TRP 39 Cb -0.10 -2.22 0.06 0.00 -1.15 0.00 0.00 33.47 30.06 2yuz s TRP 39 CO 0.02 -0.25 0.42 0.95 0.02 0.00 0.00 176.95 178.11 2yuz s THR 40 N -2.52 -0.02 0.02 2.01 -4.23 0.23 -3.25 115.64 107.87 2yuz s THR 40 Ca 0.46 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.09 2yuz s THR 40 Cb -0.10 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.09 2yuz s THR 40 CO 0.38 0.03 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.67 2yuz s LYS 41 N 1.24 2.51 -1.67 3.99 2.20 0.13 0.97 119.74 129.10 2yuz s LYS 41 Ca -0.08 -0.76 -0.21 0.00 -0.36 0.00 0.00 55.97 54.56 2yuz s LYS 41 Cb -0.07 -2.48 0.21 0.00 -1.51 0.00 0.00 37.83 33.98 2yuz s LYS 41 CO -0.11 0.59 0.53 0.09 -0.36 0.00 0.00 175.35 176.09 2yuz n ASN 42 N 1.45 -1.63 -2.49 1.43 3.02 -0.43 0.19 115.26 116.80 2yuz n ASN 42 Ca -0.15 -1.10 -0.15 0.00 -0.03 0.00 0.00 54.58 53.15 2yuz n ASN 42 Cb 0.52 -1.43 0.05 0.00 -0.61 0.00 0.00 39.78 38.32 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 -1.00 -0.01 3.15 7.41 0.00 -1.26 -5.03 105.19 108.45 2yuz n GLY 43 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.03 1.42 -0.50 0.99 1.43 0.50 -5.11 118.68 112.37 2yuz s LEU 44 Ca 0.36 -0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 52.94 2yuz s LEU 44 Cb -0.16 0.84 -0.02 0.00 0.03 0.00 0.00 46.19 46.89 2yuz s LEU 44 CO 0.47 -0.45 1.79 -2.16 0.23 0.00 0.00 176.35 176.23 2yuz s PRO 45 N -1.85 2.95 -0.17 1.29 0.04 -1.26 0.20 135.00 136.19 2yuz s PRO 45 Ca -0.11 0.90 -0.37 0.00 0.04 0.00 0.00 61.00 61.47 2yuz s PRO 45 Cb -0.05 -4.29 -0.13 0.00 0.04 0.00 0.00 34.50 30.07 2yuz s PRO 45 CO -0.00 -2.33 1.82 0.28 0.04 0.00 0.00 177.00 176.80 2yuz n VAL 46 N 7.26 0.46 -2.71 -0.36 0.31 -1.20 -4.89 118.33 117.19 2yuz n VAL 46 Ca 0.21 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 64.03 2yuz n VAL 46 Cb 0.50 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 2yuz n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yuz s GLN 47 N 3.83 3.90 0.67 5.55 -2.07 -1.26 -4.94 119.66 125.33 2yuz s GLN 47 Ca 0.95 0.74 -0.11 0.00 -1.82 0.00 0.00 55.36 55.12 2yuz s GLN 47 Cb -0.86 -3.80 -0.01 0.00 -1.09 0.00 0.00 33.01 27.25 2yuz s GLN 47 CO 0.58 -1.01 1.05 -1.21 -1.32 0.00 0.00 175.29 173.38 2yuz s GLU 48 N 3.71 3.14 0.02 9.60 2.02 -1.26 -4.88 118.70 131.06 2yuz s GLU 48 Ca 0.42 0.93 -0.29 0.00 0.02 0.00 0.00 54.97 56.05 2yuz s GLU 48 Cb -0.11 -2.02 0.11 0.00 0.10 0.00 0.00 34.13 32.21 2yuz s GLU 48 CO 0.20 -0.94 1.22 0.45 0.02 0.00 0.00 175.26 176.21 2yuz s SER 49 N -3.78 -0.07 0.44 -0.19 0.15 -1.16 -4.93 113.70 104.16 2yuz s SER 49 Ca 0.58 -0.21 0.31 0.00 0.70 0.00 0.00 55.95 57.32 2yuz s SER 49 Cb -0.13 0.23 1.45 0.00 -1.71 0.00 0.00 66.02 65.86 2yuz s SER 49 CO 0.53 -0.44 1.60 0.44 1.20 0.00 0.00 173.24 176.58 2yuz h ASP 50 N 2.00 0.23 0.08 5.45 5.19 -2.05 0.93 116.42 128.25 2yuz h ASP 50 Ca -0.29 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2yuz h ASP 50 Cb 1.21 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.86 2yuz h ASP 50 CO 0.29 -0.22 -0.04 0.03 -3.12 0.00 0.00 179.24 176.18 2yuz h ARG 51 N 0.05 -0.10 -6.29 3.56 2.47 -1.99 -3.43 114.38 108.65 2yuz h ARG 51 Ca 0.85 0.01 -0.57 0.00 -1.26 0.00 0.00 59.98 59.00 2yuz h ARG 51 Cb 2.66 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 30.96 2yuz h ARG 51 CO -0.45 0.34 0.93 -1.17 0.56 0.00 0.00 179.97 180.18 2yuz s LEU 52 N -8.64 3.96 -0.18 3.04 0.20 0.32 -3.23 118.68 114.16 2yuz s LEU 52 Ca -0.10 1.29 0.01 0.00 0.69 0.00 0.00 54.13 56.02 2yuz s LEU 52 Cb -0.01 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 42.23 2yuz s LEU 52 CO 0.37 -0.96 -0.18 -0.75 -0.29 0.00 0.00 176.35 174.54 2yuz s LYS 53 N 3.90 3.06 -0.52 1.98 2.20 -1.19 -2.97 119.74 126.20 2yuz s LYS 53 Ca 0.54 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 55.29 2yuz s LYS 53 Cb -0.17 -2.61 0.14 0.00 -1.51 0.00 0.00 37.83 33.68 2yuz s LYS 53 CO 0.19 -0.16 0.35 0.08 -0.36 0.00 0.00 175.35 175.46 2yuz s VAL 54 N 1.20 3.80 0.07 4.02 1.01 -1.26 -2.89 120.40 126.35 2yuz s VAL 54 Ca 0.02 -2.32 -0.12 0.00 0.00 0.00 0.00 61.98 59.56 2yuz s VAL 54 Cb -0.14 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 2yuz s VAL 54 CO -0.09 -0.80 0.42 -0.69 0.00 0.00 0.00 175.10 173.95 2yuz s VAL 55 N 0.73 5.04 -0.07 2.92 1.01 -0.24 -4.99 120.40 124.81 2yuz s VAL 55 Ca 0.11 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2yuz s VAL 55 Cb -0.22 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2yuz s VAL 55 CO -0.03 0.36 -0.17 -1.58 0.00 0.00 0.00 175.10 173.68 2yuz s GLN 56 N -1.69 2.14 -0.41 2.72 0.74 -1.26 -0.46 119.66 121.43 2yuz s GLN 56 Ca 0.31 -0.60 0.03 0.00 0.05 0.00 0.00 55.36 55.16 2yuz s GLN 56 Cb -0.15 -1.71 0.11 0.00 1.10 0.00 0.00 33.01 32.36 2yuz s GLN 56 CO 0.17 0.12 0.14 0.15 -0.55 0.00 0.00 175.29 175.32 2yuz s LYS 57 N 0.44 1.57 5.55 1.67 1.02 0.13 -4.98 119.74 125.14 2yuz s LYS 57 Ca -0.14 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 53.77 2yuz s LYS 57 Cb -0.16 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2yuz s LYS 57 CO 0.05 -1.02 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 2yuz n GLY 58 N 3.84 1.61 0.18 -3.33 0.00 -1.26 -0.01 105.19 106.22 2yuz n GLY 58 Ca 0.04 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.59 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 1.27 0.52 -3.89 1.61 1.74 -1.26 -4.65 116.66 112.00 2yuz n ARG 59 Ca 0.00 -0.36 -0.35 0.00 -0.77 0.00 0.00 57.85 56.37 2yuz n ARG 59 Cb 0.00 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 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 -2.72 5.47 -0.15 0.55 1.09 0.99 -2.32 121.20 124.10 2yuz s ILE 60 Ca 0.17 0.04 0.01 0.00 -1.10 0.00 0.00 60.65 59.77 2yuz s ILE 60 Cb 0.18 -3.47 0.02 0.00 -1.06 0.00 0.00 42.46 38.13 2yuz s ILE 60 CO 0.64 0.47 -0.17 -1.00 -0.10 0.00 0.00 174.94 174.78 2yuz s HIS 61 N -1.18 2.42 -0.08 3.97 3.76 0.41 0.19 115.29 124.79 2yuz s HIS 61 Ca 0.21 -1.35 0.01 0.00 -0.15 0.00 0.00 55.06 53.78 2yuz s HIS 61 Cb -0.12 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 2yuz s HIS 61 CO 0.11 -0.69 -0.09 0.21 -0.85 0.00 0.00 174.74 173.43 2yuz s LYS 62 N 1.27 2.87 -0.23 1.40 2.20 0.39 -2.46 119.74 125.19 2yuz s LYS 62 Ca 0.02 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2yuz s LYS 62 Cb -0.13 -2.58 0.08 0.00 -1.51 0.00 0.00 37.83 33.69 2yuz s LYS 62 CO -0.09 0.55 0.10 -1.17 -0.36 0.00 0.00 175.35 174.38 2yuz s LEU 63 N -0.51 0.57 -0.04 5.43 0.20 -1.04 -1.07 118.68 122.22 2yuz s LEU 63 Ca 0.07 -0.96 0.04 0.00 0.69 0.00 0.00 54.13 53.97 2yuz s LEU 63 Cb -0.12 -0.34 -0.03 0.00 -0.43 0.00 0.00 46.19 45.27 2yuz s LEU 63 CO 0.02 -0.39 -0.13 0.68 -0.29 0.00 0.00 176.35 176.24 2yuz s VAL 64 N 2.08 3.17 -0.04 1.68 -7.23 -1.14 -2.08 120.40 116.84 2yuz s VAL 64 Ca 0.05 -0.74 -0.02 0.00 -1.81 0.00 0.00 61.98 59.45 2yuz s VAL 64 Cb -0.16 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2yuz s VAL 64 CO -0.22 0.55 0.09 -0.63 -0.31 0.00 0.00 175.10 174.59 2yuz s ILE 65 N -0.79 4.91 0.05 -0.62 1.01 0.12 -3.16 121.20 122.72 2yuz s ILE 65 Ca 0.12 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 2yuz s ILE 65 Cb -0.11 -3.21 -0.15 0.00 0.01 0.00 0.00 42.46 39.00 2yuz s ILE 65 CO 0.02 0.44 1.43 0.00 0.00 0.00 0.00 174.94 176.83 2yuz h ALA 66 N 4.39 -1.23 -3.31 9.38 0.00 -1.87 -3.01 119.26 123.62 2yuz h ALA 66 Ca -0.50 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 53.66 2yuz h ALA 66 Cb 1.19 0.45 -0.35 0.00 0.00 0.00 0.00 17.79 19.09 2yuz h ALA 66 CO 0.61 -1.18 -0.82 -0.80 0.00 0.00 0.00 179.25 177.06 2yuz s ASN 67 N -3.60 2.08 -0.95 0.00 -0.87 -1.26 -4.17 114.94 106.17 2yuz s ASN 67 Ca -0.15 -0.34 -0.26 0.00 -1.57 0.00 0.00 52.86 50.54 2yuz s ASN 67 Cb 0.02 -0.91 -0.16 0.00 -0.02 0.00 0.00 41.25 40.18 2yuz s ASN 67 CO 0.46 -0.02 2.22 0.00 -2.57 0.00 0.00 177.10 177.19 2yuz s ALA 68 N 1.06 0.74 0.60 0.60 0.00 -0.68 -4.81 121.76 119.26 2yuz s ALA 68 Ca -0.07 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 2yuz s ALA 68 Cb -0.15 -4.63 -0.03 0.00 0.00 0.00 0.00 23.12 18.31 2yuz s ALA 68 CO -0.01 -6.22 1.12 -0.51 0.00 0.00 0.00 175.76 170.14 2yuz s LEU 69 N 15.14 3.59 0.62 0.00 1.43 -1.26 -3.47 118.68 134.73 2yuz s LEU 69 Ca 0.85 2.11 0.41 0.00 -1.03 0.00 0.00 54.13 56.47 2yuz s LEU 69 Cb -0.08 -4.57 2.10 0.00 0.03 0.00 0.00 46.19 43.67 2yuz s LEU 69 CO 0.12 -1.42 2.24 0.71 0.23 0.00 0.00 176.35 178.23 2yuz h THR 70 N 0.68 0.00 0.00 5.49 1.35 -1.99 -1.24 112.91 117.21 2yuz h THR 70 Ca -0.49 -0.14 -0.18 0.00 -0.55 0.00 0.00 66.41 65.06 2yuz h THR 70 Cb 1.26 1.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 2yuz h THR 70 CO 0.56 0.00 -0.87 1.05 -0.25 0.00 0.00 175.52 176.01 2yuz h GLU 71 N 0.00 0.00 0.00 4.72 9.09 -1.98 -3.23 114.58 123.17 2yuz h GLU 71 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2yuz h GLU 71 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 2yuz h GLU 71 CO 0.00 0.79 -0.02 0.22 0.05 0.00 0.00 179.01 180.06 2yuz h ASP 72 N 0.00 0.00 -2.19 3.06 1.82 -1.58 -3.41 116.42 114.12 2yuz h ASP 72 Ca -0.02 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.04 2yuz h ASP 72 Cb 1.64 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.65 2yuz h ASP 72 CO 0.10 0.02 1.42 -0.70 -1.61 0.00 0.00 179.24 178.47 2yuz s GLU 73 N -4.88 3.26 0.00 0.28 -6.30 -1.22 -4.57 118.70 105.27 2yuz s GLU 73 Ca -0.05 1.93 0.00 0.00 -2.50 0.00 0.00 54.97 54.35 2yuz s GLU 73 Cb 0.16 -4.31 0.00 0.00 0.00 0.00 0.00 34.13 29.98 2yuz s GLU 73 CO 0.63 -1.95 0.00 0.41 0.02 0.00 0.00 175.26 174.37 2yuz n GLY 74 N 5.57 -0.58 3.34 -1.50 0.00 -1.25 -5.03 105.19 105.74 2yuz n GLY 74 Ca 0.27 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.58 0.14 1.61 1.01 -1.26 -3.44 116.67 110.15 2yuz s ASP 75 Ca 0.00 1.03 0.05 0.00 0.71 0.00 0.00 52.55 54.34 2yuz s ASP 75 Cb 0.00 0.96 -0.04 0.00 1.01 0.00 0.00 42.92 44.85 2yuz s ASP 75 CO 0.00 -0.21 0.06 -0.31 0.21 0.00 0.00 175.17 174.93 2yuz s TYR 76 N 1.58 3.03 -0.11 4.23 1.51 -0.79 -1.31 117.35 125.49 2yuz s TYR 76 Ca -0.09 -0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 2yuz s TYR 76 Cb -0.08 -1.49 0.05 0.00 -0.11 0.00 0.00 41.96 40.33 2yuz s TYR 76 CO -0.14 0.51 0.27 0.08 -1.11 0.00 0.00 175.55 175.16 2yuz s VAL 77 N -1.62 -0.04 -0.19 0.71 1.01 0.27 -1.34 120.40 119.21 2yuz s VAL 77 Ca 0.29 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 2yuz s VAL 77 Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2yuz s VAL 77 CO 0.21 0.05 0.07 0.12 0.00 0.00 0.00 175.10 175.55 2yuz s PHE 78 N 1.21 3.26 -0.06 5.22 2.19 -1.15 0.75 117.98 129.39 2yuz s PHE 78 Ca -0.09 0.08 0.01 0.00 0.33 0.00 0.00 56.93 57.26 2yuz s PHE 78 Cb -0.10 -2.10 0.02 0.00 -1.31 0.00 0.00 43.02 39.54 2yuz s PHE 78 CO -0.09 0.14 -0.06 0.00 1.83 0.00 0.00 175.22 177.05 2yuz s ALA 79 N 0.43 0.86 0.69 11.12 0.00 -0.53 -2.12 121.76 132.22 2yuz s ALA 79 Ca 0.04 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2yuz s ALA 79 Cb -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2yuz s ALA 79 CO 0.00 -0.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.55 2yuz s PRO 80 N 1.03 2.64 -0.04 0.00 0.04 -1.26 -1.75 135.00 135.66 2yuz s PRO 80 Ca -0.09 1.33 0.07 0.00 0.04 0.00 0.00 61.00 62.35 2yuz s PRO 80 Cb -0.14 -1.93 0.28 0.00 0.04 0.00 0.00 34.50 32.74 2yuz s PRO 80 CO -0.00 -1.37 1.09 -0.25 0.04 0.00 0.00 177.00 176.51 2yuz n ASP 81 N -2.73 2.13 0.00 6.66 9.92 -1.17 -3.79 116.55 127.56 2yuz n ASP 81 Ca 0.10 -2.17 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 2yuz n ASP 81 Cb 0.52 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 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 0.28 1.71 -2.73 2.24 0.00 -1.26 -5.08 120.51 115.67 2yuz n ALA 82 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 2yuz n ALA 82 Cb 0.42 0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.60 1.95 -1.47 0.00 1.51 -1.25 -5.04 117.35 111.44 2yuz s TYR 83 Ca 0.00 -0.93 0.18 0.00 -1.01 0.00 0.00 57.07 55.31 2yuz s TYR 83 Cb 0.00 -1.61 0.56 0.00 -0.11 0.00 0.00 41.96 40.80 2yuz s TYR 83 CO 0.00 0.24 1.47 0.09 -1.11 0.00 0.00 175.55 176.24 2yuz n ASN 84 N -1.22 3.81 -4.57 2.29 3.02 -1.26 -4.21 115.26 113.11 2yuz n ASN 84 Ca -0.17 -2.11 -0.36 0.00 -0.03 0.00 0.00 54.58 51.92 2yuz n ASN 84 Cb 0.67 -0.43 0.09 0.00 -0.61 0.00 0.00 39.78 39.49 2yuz n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2yuz n VAL 85 N 1.17 2.37 -3.77 2.41 0.31 -1.26 -4.96 118.33 114.60 2yuz n VAL 85 Ca 0.21 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 2yuz n VAL 85 Cb 0.62 -1.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.43 2yuz n VAL 85 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2yuz s THR 86 N -1.89 -0.02 -0.36 2.52 -4.23 -1.25 -4.18 115.64 106.22 2yuz s THR 86 Ca 0.71 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 61.29 2yuz s THR 86 Cb -0.34 -0.30 0.09 0.00 1.34 0.00 0.00 72.50 73.29 2yuz s THR 86 CO 0.53 0.04 0.11 -0.76 -0.54 0.00 0.00 174.62 174.00 2yuz s LEU 87 N 0.73 4.70 0.29 4.79 1.02 -0.90 -4.91 118.68 124.39 2yuz s LEU 87 Ca -0.05 -1.77 -0.29 0.00 0.02 0.00 0.00 54.13 52.04 2yuz s LEU 87 Cb -0.07 -1.76 -0.10 0.00 0.02 0.00 0.00 46.19 44.28 2yuz s LEU 87 CO -0.04 -0.42 1.24 -2.16 0.02 0.00 0.00 176.35 174.99 2yuz s PRO 88 N 1.15 4.45 -0.06 1.29 0.04 -1.26 -2.95 135.00 137.67 2yuz s PRO 88 Ca 0.04 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 2yuz s PRO 88 Cb -0.21 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.22 2yuz s PRO 88 CO -0.03 -0.08 0.14 0.00 0.04 0.00 0.00 177.00 177.07 2yuz s ALA 89 N -0.88 -0.30 -0.17 8.56 0.00 -0.45 -4.72 121.76 123.80 2yuz s ALA 89 Ca 0.49 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 2yuz s ALA 89 Cb -0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 2yuz s ALA 89 CO 0.46 -0.12 0.13 0.15 0.00 0.00 0.00 175.76 176.38 2yuz s LYS 90 N 0.74 3.89 0.12 0.00 1.02 -1.26 -1.88 119.74 122.37 2yuz s LYS 90 Ca -0.05 -0.19 0.07 0.00 0.02 0.00 0.00 55.97 55.82 2yuz s LYS 90 Cb -0.07 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2yuz s LYS 90 CO -0.04 0.49 -0.18 0.14 -0.92 0.00 0.00 175.35 174.85 2yuz s VAL 91 N -0.19 1.60 -0.02 3.17 -7.23 -1.22 -2.37 120.40 114.13 2yuz s VAL 91 Ca 0.11 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.50 2yuz s VAL 91 Cb -0.11 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.24 2yuz s VAL 91 CO 0.00 -0.25 0.20 -2.28 -0.31 0.00 0.00 175.10 172.46 2yuz s HIS 92 N -1.70 -0.07 0.05 2.82 2.46 -1.18 -3.92 115.29 113.74 2yuz s HIS 92 Ca 0.09 0.11 0.06 0.00 0.47 0.00 0.00 55.06 55.80 2yuz s HIS 92 Cb -0.07 0.01 -0.02 0.00 -0.13 0.00 0.00 32.58 32.37 2yuz s HIS 92 CO 0.05 -0.28 -0.18 0.54 -2.47 0.00 0.00 174.74 172.40 2yuz s VAL 93 N -1.06 1.46 -0.07 0.89 0.11 -1.26 -2.95 120.40 117.52 2yuz s VAL 93 Ca -0.11 -1.16 0.02 0.00 -2.93 0.00 0.00 61.98 57.80 2yuz s VAL 93 Cb -0.06 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 2yuz s VAL 93 CO 0.02 0.10 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.13 2yuz s ILE 94 N -0.86 3.19 -0.11 7.04 1.01 -0.86 -4.93 121.20 125.68 2yuz s ILE 94 Ca 0.05 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2yuz s ILE 94 Cb -0.09 -2.28 0.04 0.00 0.01 0.00 0.00 42.46 40.15 2yuz s ILE 94 CO 0.02 0.58 0.27 -0.94 0.00 0.00 0.00 174.94 174.87 2yuz s SER 95 N -0.54 -0.30 -0.08 3.58 1.04 -1.26 -0.45 113.70 115.70 2yuz s SER 95 Ca 0.07 0.57 -0.17 0.00 0.48 0.00 0.00 55.95 56.90 2yuz s SER 95 Cb -0.12 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.54 2yuz s SER 95 CO 0.02 -0.14 0.42 -0.83 0.98 0.00 0.00 173.24 173.68 2yuz s GLY 96 N 0.89 -0.29 0.14 7.32 0.00 -1.26 -5.05 107.32 109.07 2yuz s GLY 96 Ca -0.06 0.83 -0.11 0.00 0.00 0.00 0.00 44.72 45.38 2yuz s GLY 96 CO -0.06 0.62 1.47 -0.56 0.00 0.00 0.00 173.10 174.57 2yuz h PRO 97 N 4.37 0.94 -6.28 2.90 0.13 -2.08 -3.43 132.00 128.56 2yuz h PRO 97 Ca -0.28 -0.50 -0.55 0.00 -0.87 0.00 0.00 66.00 63.80 2yuz h PRO 97 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yuz h PRO 97 CO 0.33 1.16 1.22 0.45 -0.23 0.00 0.00 178.00 180.93 2yuz s SER 98 N -6.84 6.37 0.66 1.44 0.15 -1.26 -4.98 113.70 109.23 2yuz s SER 98 Ca -0.11 2.34 -0.00 0.00 0.70 0.00 0.00 55.95 58.87 2yuz s SER 98 Cb 0.11 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.98 2yuz s SER 98 CO 0.88 -1.16 0.91 -0.55 1.20 0.00 0.00 173.24 174.52 2yuz s SER 99 N 4.64 4.73 0.00 5.45 0.15 -1.26 -5.20 113.70 122.22 2yuz s SER 99 Ca 0.84 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2yuz s SER 99 Cb -0.37 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2yuz s SER 99 CO 0.36 -1.57 0.00 0.61 1.20 0.00 0.00 173.24 173.84