#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 3.78 0.01 1.61 2.88 -1.26 -4.81 113.62 115.82 2yuz n SER 2 Ca 0.00 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2yuz n SER 2 Cb 0.00 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 2yuz n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuz n SER 3 N 7.09 0.10 -3.49 -3.46 7.64 -1.26 -4.99 113.62 115.25 2yuz n SER 3 Ca 0.22 0.02 -0.29 0.00 1.01 0.00 0.00 58.87 59.83 2yuz n SER 3 Cb 0.35 -0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 2yuz n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuz s GLY 4 N -4.91 1.10 -1.74 0.23 0.00 -1.26 -4.90 107.32 95.83 2yuz s GLY 4 Ca 0.00 -2.16 -0.17 0.00 0.00 0.00 0.00 44.72 42.39 2yuz s GLY 4 CO 0.00 2.01 0.58 -1.26 0.00 0.00 0.00 173.10 174.43 2yuz n SER 5 N 3.61 -1.93 -4.41 1.64 2.88 -1.26 -4.88 113.62 109.26 2yuz n SER 5 Ca 0.16 -1.15 -0.21 0.00 -1.33 0.00 0.00 58.87 56.35 2yuz n SER 5 Cb 0.40 -2.15 -0.10 0.00 -0.75 0.00 0.00 64.21 61.61 2yuz n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yuz s SER 6 N -3.49 2.71 -0.39 -3.46 1.04 -1.26 -5.07 113.70 103.79 2yuz s SER 6 Ca 0.64 -1.15 0.08 0.00 0.48 0.00 0.00 55.95 55.99 2yuz s SER 6 Cb -0.36 -0.16 0.33 0.00 0.10 0.00 0.00 66.02 65.93 2yuz s SER 6 CO 0.98 -0.31 1.30 0.61 0.98 0.00 0.00 173.24 176.80 2yuz n GLY 7 N -0.54 0.94 3.60 7.32 0.00 -1.26 -4.53 105.19 110.72 2yuz n GLY 7 Ca -0.06 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.98 3.96 -0.36 0.99 2.96 -1.26 -5.07 118.68 116.93 2yuz s LEU 8 Ca 0.19 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.96 2yuz s LEU 8 Cb 0.34 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 2yuz s LEU 8 CO -0.08 0.01 0.36 -0.54 -1.32 0.00 0.00 176.35 174.79 2yuz s LYS 9 N 1.36 3.47 -0.59 1.98 -0.14 -1.26 -4.81 119.74 119.74 2yuz s LYS 9 Ca 0.07 -0.51 -0.27 0.00 -1.36 0.00 0.00 55.97 53.90 2yuz s LYS 9 Cb -0.15 -3.83 -0.00 0.00 -1.68 0.00 0.00 37.83 32.17 2yuz s LYS 9 CO 0.07 -0.57 1.60 0.42 -0.76 0.00 0.00 175.35 176.11 2yuz s ILE 10 N 2.00 3.57 -0.02 2.17 1.09 -1.26 -1.13 121.20 127.62 2yuz s ILE 10 Ca 0.11 0.42 -0.18 0.00 -1.10 0.00 0.00 60.65 59.90 2yuz s ILE 10 Cb -0.17 -4.26 -0.10 0.00 -1.06 0.00 0.00 42.46 36.87 2yuz s ILE 10 CO 0.12 -1.12 0.77 -0.07 -0.10 0.00 0.00 174.94 174.53 2yuz h LEU 11 N 14.48 -0.56 -7.22 2.97 3.38 -1.87 -3.41 115.31 123.09 2yuz h LEU 11 Ca -0.27 0.02 -0.63 0.00 0.09 0.00 0.00 57.88 57.09 2yuz h LEU 11 Cb 1.12 0.15 -0.41 0.00 0.09 0.00 0.00 40.66 41.61 2yuz h LEU 11 CO 1.20 -0.15 -0.66 -0.89 0.09 0.00 0.00 178.44 178.03 2yuz s THR 12 N -3.71 2.25 0.72 0.22 2.01 -1.09 -4.97 115.64 111.06 2yuz s THR 12 Ca -0.10 -3.21 -0.13 0.00 0.31 0.00 0.00 61.69 58.57 2yuz s THR 12 Cb 0.01 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.99 2yuz s THR 12 CO 0.29 -0.86 1.10 -2.16 -0.69 0.00 0.00 174.62 172.30 2yuz s PRO 13 N -0.24 2.52 0.60 4.92 0.04 -1.26 -0.08 135.00 141.50 2yuz s PRO 13 Ca 0.18 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.32 2yuz s PRO 13 Cb -0.23 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2yuz s PRO 13 CO -0.02 -1.46 0.92 1.28 0.04 0.00 0.00 177.00 177.76 2yuz n LEU 14 N -2.98 3.41 -4.25 -3.56 4.77 -1.26 -4.86 117.00 108.26 2yuz n LEU 14 Ca 0.10 0.80 -0.29 0.00 -0.03 0.00 0.00 56.01 56.59 2yuz n LEU 14 Cb 0.52 -1.37 -0.16 0.00 -2.33 0.00 0.00 43.42 40.09 2yuz n LEU 14 CO 0.51 -1.99 -0.54 0.42 -1.33 0.00 0.00 177.39 174.45 2yuz s THR 15 N -1.54 1.79 -0.01 -5.08 -4.23 -1.26 -4.95 115.64 100.35 2yuz s THR 15 Ca 0.75 -0.96 -0.37 0.00 -1.18 0.00 0.00 61.69 59.93 2yuz s THR 15 Cb -0.42 -1.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.77 2yuz s THR 15 CO 0.48 0.51 1.47 -0.90 -0.54 0.00 0.00 174.62 175.64 2yuz n ASP 16 N 2.60 1.95 -4.26 3.99 5.75 -1.26 -4.86 116.55 120.46 2yuz n ASP 16 Ca -0.16 1.10 -0.32 0.00 -0.01 0.00 0.00 54.79 55.40 2yuz n ASP 16 Cb 0.52 -1.19 -0.16 0.00 -1.03 0.00 0.00 41.12 39.26 2yuz n ASP 16 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2yuz s GLN 17 N 1.43 3.13 -0.16 0.11 -1.52 -0.99 -5.02 119.66 116.65 2yuz s GLN 17 Ca 0.88 -0.83 -0.01 0.00 -1.95 0.00 0.00 55.36 53.45 2yuz s GLN 17 Cb -0.97 -2.38 0.04 0.00 -0.22 0.00 0.00 33.01 29.48 2yuz s GLN 17 CO 0.52 0.19 -0.03 0.99 -0.25 0.00 0.00 175.29 176.70 2yuz s THR 18 N 0.35 0.92 0.25 -0.19 2.01 -1.26 -2.88 115.64 114.84 2yuz s THR 18 Ca -0.17 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.34 2yuz s THR 18 Cb -0.17 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2yuz s THR 18 CO 0.08 0.10 0.10 0.68 -0.69 0.00 0.00 174.62 174.89 2yuz s VAL 19 N 1.72 0.50 0.55 3.82 -7.23 -1.08 -5.00 120.40 113.68 2yuz s VAL 19 Ca 0.01 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.11 2yuz s VAL 19 Cb -0.15 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 2yuz s VAL 19 CO -0.07 0.00 0.88 0.20 -0.31 0.00 0.00 175.10 175.80 2yuz s ASN 20 N -3.30 6.01 0.02 4.85 -0.87 -1.26 -2.33 114.94 118.07 2yuz s ASN 20 Ca 0.38 0.97 -0.34 0.00 -1.57 0.00 0.00 52.86 52.30 2yuz s ASN 20 Cb 0.08 -2.11 -0.13 0.00 -0.02 0.00 0.00 41.25 39.07 2yuz s ASN 20 CO 0.14 -0.82 1.74 -0.11 -2.57 0.00 0.00 177.10 175.47 2yuz n LEU 21 N -2.49 3.26 0.00 0.60 7.94 -0.47 -1.66 117.00 124.18 2yuz n LEU 21 Ca 0.03 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 2yuz n LEU 21 Cb 0.56 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2yuz n LEU 21 CO 0.54 -0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.26 2yuz n GLY 22 N 3.94 3.10 3.14 -3.96 0.00 -0.77 -4.91 105.19 105.72 2yuz n GLY 22 Ca 0.20 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.03 -2.91 1.61 4.76 -0.66 -2.69 118.16 118.23 2yuz n LYS 23 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 2yuz n LYS 23 Cb 0.00 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 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 -2.24 3.28 0.68 1.97 2.12 -1.26 0.06 118.70 123.31 2yuz s GLU 24 Ca 0.47 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 55.21 2yuz s GLU 24 Cb -0.23 -4.07 -0.01 0.00 0.26 0.00 0.00 34.13 30.08 2yuz s GLU 24 CO 0.76 -1.43 1.00 -0.89 -0.54 0.00 0.00 175.26 174.16 2yuz n ILE 25 N 6.06 3.39 -3.74 -3.70 2.08 -1.01 -4.76 119.36 117.68 2yuz n ILE 25 Ca -0.00 -0.43 -0.13 0.00 0.56 0.00 0.00 62.75 62.75 2yuz n ILE 25 Cb 0.47 -1.16 -0.10 0.00 -0.75 0.00 0.00 39.64 38.10 2yuz n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yuz s LEU 27 N 0.15 -0.94 -0.05 0.00 1.43 0.10 -4.91 118.68 114.46 2yuz s LEU 27 Ca -0.00 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 2yuz s LEU 27 Cb -0.03 1.49 -0.02 0.00 0.03 0.00 0.00 46.19 47.67 2yuz s LEU 27 CO 0.01 -0.29 -0.20 -0.75 0.23 0.00 0.00 176.35 175.34 2yuz s LYS 28 N 2.66 2.48 -0.10 1.70 2.20 -1.26 -0.62 119.74 126.81 2yuz s LYS 28 Ca 0.15 -0.81 -0.08 0.00 -0.36 0.00 0.00 55.97 54.87 2yuz s LYS 28 Cb -0.15 -2.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.94 2yuz s LYS 28 CO -0.20 0.51 0.26 0.00 -0.36 0.00 0.00 175.35 175.56 2yuz s GLU 30 N 0.32 2.20 0.04 0.00 2.12 0.89 -1.10 118.70 123.17 2yuz s GLU 30 Ca -0.01 -1.32 -0.05 0.00 0.36 0.00 0.00 54.97 53.94 2yuz s GLU 30 Cb -0.03 -2.18 -0.01 0.00 0.26 0.00 0.00 34.13 32.17 2yuz s GLU 30 CO -0.01 0.41 0.10 0.96 -0.54 0.00 0.00 175.26 176.17 2yuz s ILE 31 N -1.98 0.13 -0.01 -3.70 -4.36 -1.03 -2.68 121.20 107.57 2yuz s ILE 31 Ca 0.28 -1.11 -0.04 0.00 -0.26 0.00 0.00 60.65 59.53 2yuz s ILE 31 Cb -0.08 -0.91 -0.15 0.00 1.25 0.00 0.00 42.46 42.57 2yuz s ILE 31 CO 0.18 -0.61 2.96 -0.24 0.24 0.00 0.00 174.94 177.47 2yuz n SER 32 N 0.74 5.32 -3.52 4.36 2.88 -0.28 -4.77 113.62 118.34 2yuz n SER 32 Ca -0.19 -2.47 -0.09 0.00 -1.33 0.00 0.00 58.87 54.79 2yuz n SER 32 Cb 0.59 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.72 2yuz n SER 32 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2yuz s GLU 33 N 0.53 0.75 -0.75 -1.46 2.56 -1.26 -4.68 118.70 114.39 2yuz s GLU 33 Ca 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 54.97 55.17 2yuz s GLU 33 Cb 0.20 0.35 0.19 0.00 2.00 0.00 0.00 34.13 36.86 2yuz s GLU 33 CO -0.00 -0.31 0.60 1.21 -0.56 0.00 0.00 175.26 176.20 2yuz s ASN 34 N -2.16 5.57 -0.03 -1.70 3.84 -1.26 -4.47 114.94 114.74 2yuz s ASN 34 Ca 0.03 -3.31 -0.10 0.00 0.21 0.00 0.00 52.86 49.70 2yuz s ASN 34 Cb -0.01 -1.87 0.02 0.00 -0.55 0.00 0.00 41.25 38.83 2yuz s ASN 34 CO -0.06 -0.27 0.23 0.27 -2.79 0.00 0.00 177.10 174.48 2yuz s ILE 35 N -0.73 0.05 0.54 -5.21 -4.36 -1.26 -5.02 121.20 105.21 2yuz s ILE 35 Ca 0.22 -0.43 -0.20 0.00 -0.26 0.00 0.00 60.65 59.99 2yuz s ILE 35 Cb -0.13 -0.48 -0.06 0.00 1.25 0.00 0.00 42.46 43.04 2yuz s ILE 35 CO -0.08 -0.23 1.13 -2.16 0.24 0.00 0.00 174.94 173.83 2yuz s PRO 36 N -0.95 3.37 0.17 0.37 0.04 -1.26 -4.86 135.00 131.88 2yuz s PRO 36 Ca -0.10 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 2yuz s PRO 36 Cb -0.05 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2yuz s PRO 36 CO 0.02 -0.83 0.15 0.20 0.04 0.00 0.00 177.00 176.57 2yuz s GLY 37 N -1.76 1.10 0.14 0.56 0.00 -1.26 -0.67 107.32 105.44 2yuz s GLY 37 Ca 0.72 -1.47 0.09 0.00 0.00 0.00 0.00 44.72 44.07 2yuz s GLY 37 CO 0.27 -1.27 -0.21 1.25 0.00 0.00 0.00 173.10 173.15 2yuz s LYS 38 N -4.09 1.26 0.20 2.90 2.20 -0.13 -4.89 119.74 117.20 2yuz s LYS 38 Ca 0.30 -1.33 0.05 0.00 -0.36 0.00 0.00 55.97 54.63 2yuz s LYS 38 Cb 0.06 -1.47 -0.03 0.00 -1.51 0.00 0.00 37.83 34.88 2yuz s LYS 38 CO 0.07 0.32 0.25 -1.58 -0.36 0.00 0.00 175.35 174.05 2yuz s TRP 39 N -1.59 3.33 -0.13 4.03 0.52 -1.26 -1.50 118.94 122.35 2yuz s TRP 39 Ca 0.13 0.01 -0.09 0.00 0.02 0.00 0.00 56.10 56.17 2yuz s TRP 39 Cb -0.08 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 2yuz s TRP 39 CO 0.06 0.50 0.31 0.95 0.02 0.00 0.00 176.95 178.79 2yuz s THR 40 N -1.88 -0.02 -0.01 2.01 -4.23 0.29 -3.39 115.64 108.41 2yuz s THR 40 Ca 0.33 0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 2yuz s THR 40 Cb -0.10 -0.46 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 2yuz s THR 40 CO 0.27 0.03 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.44 2yuz s LYS 41 N 0.78 2.24 -0.91 3.99 2.20 0.11 0.31 119.74 128.47 2yuz s LYS 41 Ca -0.05 -0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 54.59 2yuz s LYS 41 Cb -0.06 -2.23 0.11 0.00 -1.51 0.00 0.00 37.83 34.14 2yuz s LYS 41 CO -0.05 0.58 0.29 0.09 -0.36 0.00 0.00 175.35 175.89 2yuz n ASN 42 N 2.04 -1.58 -2.15 1.43 3.02 -0.49 0.40 115.26 117.93 2yuz n ASN 42 Ca -0.17 -0.31 -0.09 0.00 -0.03 0.00 0.00 54.58 53.99 2yuz n ASN 42 Cb 0.52 -1.43 0.04 0.00 -0.61 0.00 0.00 39.78 38.30 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 -0.79 0.08 3.38 7.41 0.00 -1.26 -5.06 105.19 108.95 2yuz n GLY 43 Ca 0.05 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 0.12 -0.61 0.99 0.05 0.16 -5.11 118.68 110.19 2yuz s LEU 44 Ca 0.03 0.43 -0.27 0.00 0.05 0.00 0.00 54.13 54.37 2yuz s LEU 44 Cb -0.01 1.88 -0.02 0.00 -2.05 0.00 0.00 46.19 45.98 2yuz s LEU 44 CO 0.35 -0.51 1.86 -2.16 -0.55 0.00 0.00 176.35 175.34 2yuz s PRO 45 N -1.18 2.63 0.25 1.48 0.04 -1.26 -0.71 135.00 136.25 2yuz s PRO 45 Ca -0.12 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 2yuz s PRO 45 Cb -0.03 -4.39 -0.15 0.00 0.04 0.00 0.00 34.50 29.98 2yuz s PRO 45 CO 0.07 -2.73 0.94 0.28 0.04 0.00 0.00 177.00 175.60 2yuz n VAL 46 N 7.21 1.79 -3.37 -0.36 0.31 -1.22 -4.94 118.33 117.76 2yuz n VAL 46 Ca 0.20 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.72 2yuz n VAL 46 Cb 0.52 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.62 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 -1.24 4.03 0.13 5.55 -2.07 -1.26 -4.99 119.66 119.82 2yuz s GLN 47 Ca 0.62 0.55 0.03 0.00 -1.82 0.00 0.00 55.36 54.74 2yuz s GLN 47 Cb -0.77 -3.10 -0.04 0.00 -1.09 0.00 0.00 33.01 28.01 2yuz s GLN 47 CO 0.58 0.58 0.24 -1.21 -1.32 0.00 0.00 175.29 174.16 2yuz s GLU 48 N -1.47 3.32 -0.04 9.60 2.02 -1.26 -4.90 118.70 125.96 2yuz s GLU 48 Ca 0.31 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.37 2yuz s GLU 48 Cb -0.17 -2.91 0.11 0.00 0.10 0.00 0.00 34.13 31.26 2yuz s GLU 48 CO 0.18 0.53 1.11 -1.12 0.02 0.00 0.00 175.26 175.98 2yuz s SER 49 N -3.05 -0.18 0.27 -0.19 0.01 -0.84 -4.93 113.70 104.79 2yuz s SER 49 Ca 0.34 -0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.55 2yuz s SER 49 Cb -0.11 0.27 0.78 0.00 0.21 0.00 0.00 66.02 67.16 2yuz s SER 49 CO 0.27 -0.47 1.28 -0.90 0.41 0.00 0.00 173.24 173.84 2yuz n ASP 50 N -0.30 0.03 -0.04 2.44 5.75 -1.26 0.15 116.55 123.31 2yuz n ASP 50 Ca -0.05 1.37 -0.15 0.00 -0.01 0.00 0.00 54.79 55.95 2yuz n ASP 50 Cb 0.61 -0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 2yuz n ASP 50 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2yuz h ARG 51 N 0.00 0.46 -5.44 0.11 0.11 -1.98 -3.41 114.38 104.23 2yuz h ARG 51 Ca 0.56 -0.33 -0.65 0.00 0.10 0.00 0.00 59.98 59.66 2yuz h ARG 51 Cb 1.28 0.05 -0.15 0.00 1.11 0.00 0.00 29.97 32.26 2yuz h ARG 51 CO -0.72 0.94 0.14 -1.17 0.10 0.00 0.00 179.97 179.26 2yuz s LEU 52 N -8.78 4.45 -0.10 0.08 0.20 0.39 -3.57 118.68 111.35 2yuz s LEU 52 Ca -0.13 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.45 2yuz s LEU 52 Cb 0.05 -2.75 0.02 0.00 -0.43 0.00 0.00 46.19 43.08 2yuz s LEU 52 CO 0.80 -0.76 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.21 2yuz s LYS 53 N 2.84 2.05 -0.50 1.98 2.20 -1.25 -1.98 119.74 125.07 2yuz s LYS 53 Ca 0.23 -0.50 -0.15 0.00 -0.36 0.00 0.00 55.97 55.19 2yuz s LYS 53 Cb -0.14 -1.76 0.11 0.00 -1.51 0.00 0.00 37.83 34.52 2yuz s LYS 53 CO 0.19 -0.06 0.43 0.08 -0.36 0.00 0.00 175.35 175.63 2yuz s VAL 54 N 0.99 5.04 -0.01 4.02 1.01 -1.26 -3.95 120.40 126.23 2yuz s VAL 54 Ca -0.07 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 2yuz s VAL 54 Cb -0.15 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2yuz s VAL 54 CO -0.01 -0.74 0.42 -0.69 0.00 0.00 0.00 175.10 174.08 2yuz s VAL 55 N 1.57 5.03 -0.04 2.92 1.01 -0.74 -4.96 120.40 125.20 2yuz s VAL 55 Ca 0.04 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2yuz s VAL 55 Cb -0.27 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 2yuz s VAL 55 CO 0.04 0.55 -0.15 -1.58 0.00 0.00 0.00 175.10 173.95 2yuz s GLN 56 N -0.88 1.54 -0.38 2.72 0.74 -1.26 -0.09 119.66 122.05 2yuz s GLN 56 Ca 0.24 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 55.14 2yuz s GLN 56 Cb -0.17 -1.37 0.11 0.00 1.10 0.00 0.00 33.01 32.69 2yuz s GLN 56 CO 0.13 0.22 0.13 0.15 -0.55 0.00 0.00 175.29 175.38 2yuz s LYS 57 N 0.03 1.34 3.38 1.67 -0.14 0.62 -4.99 119.74 121.66 2yuz s LYS 57 Ca -0.03 -1.83 0.00 0.00 -1.36 0.00 0.00 55.97 52.76 2yuz s LYS 57 Cb -0.10 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 2yuz s LYS 57 CO 0.01 -1.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.00 2yuz n GLY 58 N 4.08 0.52 2.42 -3.33 0.00 -1.26 -1.35 105.19 106.26 2yuz n GLY 58 Ca 0.03 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.39 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 3.05 -3.72 1.61 1.74 -1.26 -4.43 116.66 113.64 2yuz n ARG 59 Ca 0.00 -3.76 -0.12 0.00 -0.77 0.00 0.00 57.85 53.20 2yuz n ARG 59 Cb 0.00 -2.28 -0.10 0.00 -1.02 0.00 0.00 32.46 29.06 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 -4.95 -0.01 -0.18 0.55 1.01 -0.46 -2.45 121.20 114.72 2yuz s ILE 60 Ca 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 61.24 2yuz s ILE 60 Cb 0.45 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 42.35 2yuz s ILE 60 CO -0.12 0.02 -0.13 -1.00 0.00 0.00 0.00 174.94 173.70 2yuz s HIS 61 N 0.65 2.83 0.01 3.97 3.76 -0.26 -0.27 115.29 125.98 2yuz s HIS 61 Ca -0.04 -1.12 0.06 0.00 -0.15 0.00 0.00 55.06 53.82 2yuz s HIS 61 Cb -0.05 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 2yuz s HIS 61 CO -0.04 -0.55 -0.17 0.21 -0.85 0.00 0.00 174.74 173.34 2yuz s LYS 62 N 1.05 2.22 -0.09 1.40 2.20 0.87 -1.78 119.74 125.61 2yuz s LYS 62 Ca -0.01 -0.88 -0.04 0.00 -0.36 0.00 0.00 55.97 54.69 2yuz s LYS 62 Cb -0.15 -2.25 0.05 0.00 -1.51 0.00 0.00 37.83 33.98 2yuz s LYS 62 CO -0.03 0.57 0.18 -1.17 -0.36 0.00 0.00 175.35 174.54 2yuz s LEU 63 N -1.17 -0.07 0.00 5.43 0.20 0.21 -1.79 118.68 121.49 2yuz s LEU 63 Ca 0.14 0.39 0.02 0.00 0.69 0.00 0.00 54.13 55.37 2yuz s LEU 63 Cb -0.11 0.38 -0.01 0.00 -0.43 0.00 0.00 46.19 46.03 2yuz s LEU 63 CO 0.04 -0.24 -0.07 0.68 -0.29 0.00 0.00 176.35 176.47 2yuz s VAL 64 N 2.23 0.53 -0.07 1.68 -7.23 -1.25 0.02 120.40 116.30 2yuz s VAL 64 Ca 0.02 -0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.77 2yuz s VAL 64 Cb -0.12 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 2yuz s VAL 64 CO -0.06 0.07 0.01 -0.63 -0.31 0.00 0.00 175.10 174.19 2yuz s ILE 65 N -0.32 4.39 0.11 -0.62 1.01 -0.87 -4.04 121.20 120.87 2yuz s ILE 65 Ca 0.01 -0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 2yuz s ILE 65 Cb -0.04 -2.87 -0.07 0.00 0.01 0.00 0.00 42.46 39.49 2yuz s ILE 65 CO -0.00 0.57 1.67 0.00 0.00 0.00 0.00 174.94 177.17 2yuz h ALA 66 N 4.99 -0.21 -3.24 9.38 0.00 -1.90 -2.67 119.26 125.61 2yuz h ALA 66 Ca -0.51 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.92 2yuz h ALA 66 Cb 1.19 0.29 -0.38 0.00 0.00 0.00 0.00 17.79 18.89 2yuz h ALA 66 CO 0.55 -0.66 -0.78 -0.80 0.00 0.00 0.00 179.25 177.56 2yuz s ASN 67 N -4.97 2.06 -0.62 0.00 -0.87 -1.26 -4.33 114.94 104.95 2yuz s ASN 67 Ca -0.15 -0.30 -0.26 0.00 -1.57 0.00 0.00 52.86 50.58 2yuz s ASN 67 Cb 0.08 -0.63 -0.09 0.00 -0.02 0.00 0.00 41.25 40.59 2yuz s ASN 67 CO 0.66 -0.18 2.38 0.00 -2.57 0.00 0.00 177.10 177.38 2yuz s ALA 68 N 1.84 1.30 0.42 0.60 0.00 0.11 -4.79 121.76 121.25 2yuz s ALA 68 Ca 0.04 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 2yuz s ALA 68 Cb -0.13 -4.44 -0.07 0.00 0.00 0.00 0.00 23.12 18.47 2yuz s ALA 68 CO -0.07 -5.00 0.84 -0.51 0.00 0.00 0.00 175.76 171.02 2yuz s LEU 69 N 13.02 3.82 0.30 0.00 1.43 -1.26 -1.85 118.68 134.13 2yuz s LEU 69 Ca 0.94 1.31 0.06 0.00 -1.03 0.00 0.00 54.13 55.41 2yuz s LEU 69 Cb -0.15 -4.20 0.79 0.00 0.03 0.00 0.00 46.19 42.66 2yuz s LEU 69 CO 0.18 -0.42 1.73 0.71 0.23 0.00 0.00 176.35 178.78 2yuz h THR 70 N 1.23 0.56 -1.00 5.49 1.35 -1.98 0.31 112.91 118.87 2yuz h THR 70 Ca -0.47 -0.19 0.27 0.00 -0.55 0.00 0.00 66.41 65.46 2yuz h THR 70 Cb 1.18 -0.05 -0.06 0.00 -1.73 0.00 0.00 68.15 67.50 2yuz h THR 70 CO 0.63 0.10 0.69 1.05 -0.25 0.00 0.00 175.52 177.74 2yuz h GLU 71 N 0.56 0.18 -0.92 4.72 4.11 -1.99 0.63 114.58 121.87 2yuz h GLU 71 Ca 0.59 -0.01 0.19 0.00 0.07 0.00 0.00 59.36 60.21 2yuz h GLU 71 Cb 1.08 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.18 2yuz h GLU 71 CO -0.47 0.12 0.48 0.38 0.07 0.00 0.00 179.01 179.59 2yuz h ASP 72 N 0.19 0.54 -1.40 3.06 2.03 -0.74 -3.40 116.42 116.70 2yuz h ASP 72 Ca 0.51 0.12 -0.65 0.00 -0.73 0.00 0.00 57.03 56.28 2yuz h ASP 72 Cb 1.66 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 40.20 2yuz h ASP 72 CO -0.12 0.14 1.37 1.21 -1.03 0.00 0.00 179.24 180.81 2yuz n GLU 73 N -4.91 1.39 0.00 4.15 0.00 0.21 -4.63 120.64 116.86 2yuz n GLU 73 Ca 0.21 0.41 0.00 0.00 0.00 0.00 0.00 57.16 57.78 2yuz n GLU 73 Cb 0.57 -2.62 0.00 0.00 0.00 0.00 0.00 31.44 29.40 2yuz n GLU 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2yuz n GLY 74 N 6.01 -0.69 2.76 8.31 0.00 -1.26 -5.06 105.19 115.26 2yuz n GLY 74 Ca 0.36 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 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 2.06 0.04 1.61 1.11 -1.26 -3.73 116.67 112.50 2yuz s ASP 75 Ca 0.00 -0.35 -0.10 0.00 0.18 0.00 0.00 52.55 52.28 2yuz s ASP 75 Cb 0.00 -0.49 -0.05 0.00 1.07 0.00 0.00 42.92 43.44 2yuz s ASP 75 CO 0.00 -0.24 0.37 -0.31 1.18 0.00 0.00 175.17 176.17 2yuz s TYR 76 N 1.94 3.62 -0.10 4.23 1.51 -0.99 -1.40 117.35 126.15 2yuz s TYR 76 Ca 0.03 0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 56.82 2yuz s TYR 76 Cb -0.14 -2.15 0.04 0.00 -0.11 0.00 0.00 41.96 39.60 2yuz s TYR 76 CO -0.06 0.58 0.24 0.08 -1.11 0.00 0.00 175.55 175.27 2yuz s VAL 77 N -1.28 -0.03 0.16 0.71 1.01 0.15 -0.96 120.40 120.16 2yuz s VAL 77 Ca 0.29 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.49 2yuz s VAL 77 Cb -0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2yuz s VAL 77 CO 0.16 0.05 -0.17 0.12 0.00 0.00 0.00 175.10 175.26 2yuz s PHE 78 N 1.04 2.50 -0.18 5.22 2.19 -1.06 0.10 117.98 127.80 2yuz s PHE 78 Ca -0.08 -0.28 -0.18 0.00 0.33 0.00 0.00 56.93 56.72 2yuz s PHE 78 Cb -0.09 -1.26 0.05 0.00 -1.31 0.00 0.00 43.02 40.41 2yuz s PHE 78 CO -0.07 0.47 0.51 0.00 1.83 0.00 0.00 175.22 177.96 2yuz s ALA 79 N -1.52 -1.27 0.63 11.12 0.00 -0.56 -1.04 121.76 129.12 2yuz s ALA 79 Ca 0.21 1.41 -0.16 0.00 0.00 0.00 0.00 51.96 53.43 2yuz s ALA 79 Cb -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 2yuz s ALA 79 CO 0.12 -0.25 1.11 -1.25 0.00 0.00 0.00 175.76 175.50 2yuz s PRO 80 N 0.18 2.94 -0.04 0.00 0.04 -1.26 -0.95 135.00 135.92 2yuz s PRO 80 Ca -0.01 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.55 2yuz s PRO 80 Cb -0.04 -1.96 0.27 0.00 0.04 0.00 0.00 34.50 32.81 2yuz s PRO 80 CO 0.01 -1.15 1.08 -3.47 0.04 0.00 0.00 177.00 173.52 2yuz n ASP 81 N -2.13 2.08 0.00 6.66 2.03 0.15 -3.82 116.55 121.52 2yuz n ASP 81 Ca 0.11 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.25 2yuz n ASP 81 Cb 0.52 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2yuz n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yuz n ALA 82 N 0.26 1.83 -2.38 -1.67 0.00 -1.26 -5.03 120.51 112.26 2yuz n ALA 82 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 2yuz n ALA 82 Cb 0.41 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.66 1.88 -0.22 0.00 1.51 -1.25 -5.04 117.35 112.58 2yuz s TYR 83 Ca 0.00 -0.77 0.15 0.00 -1.01 0.00 0.00 57.07 55.44 2yuz s TYR 83 Cb 0.00 -1.95 0.57 0.00 -0.11 0.00 0.00 41.96 40.47 2yuz s TYR 83 CO 0.00 -0.35 1.49 -1.71 -1.11 0.00 0.00 175.55 173.88 2yuz n ASN 84 N -1.67 3.92 -4.81 2.29 5.15 -1.26 -4.46 115.26 114.43 2yuz n ASN 84 Ca -0.01 -3.14 -0.34 0.00 -0.60 0.00 0.00 54.58 50.48 2yuz n ASN 84 Cb 0.64 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 2yuz n ASN 84 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2yuz s VAL 85 N -2.91 4.19 -0.03 3.44 0.11 -1.26 -5.04 120.40 118.90 2yuz s VAL 85 Ca 0.45 1.46 0.02 0.00 -2.93 0.00 0.00 61.98 60.98 2yuz s VAL 85 Cb 0.37 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 2yuz s VAL 85 CO 0.09 -0.20 -0.07 0.42 -3.33 0.00 0.00 175.10 172.01 2yuz s THR 86 N -2.01 0.64 -0.39 5.04 -4.23 -1.26 -4.08 115.64 109.36 2yuz s THR 86 Ca 0.61 -0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 2yuz s THR 86 Cb -0.13 -0.61 0.09 0.00 1.34 0.00 0.00 72.50 73.19 2yuz s THR 86 CO 0.17 0.23 0.18 -0.76 -0.54 0.00 0.00 174.62 173.90 2yuz s LEU 87 N 0.54 4.95 0.73 4.79 1.02 -0.21 -4.96 118.68 125.55 2yuz s LEU 87 Ca -0.08 -1.70 -0.12 0.00 0.02 0.00 0.00 54.13 52.26 2yuz s LEU 87 Cb -0.11 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.27 2yuz s LEU 87 CO 0.01 -0.49 1.10 -2.16 0.02 0.00 0.00 176.35 174.83 2yuz s PRO 88 N 1.26 2.44 -0.04 1.29 0.04 -1.26 -2.55 135.00 136.18 2yuz s PRO 88 Ca 0.04 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 2yuz s PRO 88 Cb -0.22 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.48 2yuz s PRO 88 CO -0.01 -1.51 0.69 0.00 0.04 0.00 0.00 177.00 176.20 2yuz s ALA 89 N -2.71 -1.76 0.07 8.56 0.00 -0.13 -4.76 121.76 121.02 2yuz s ALA 89 Ca 0.63 1.27 0.10 0.00 0.00 0.00 0.00 51.96 53.96 2yuz s ALA 89 Cb -0.18 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2yuz s ALA 89 CO 0.51 -0.40 -0.26 0.21 0.00 0.00 0.00 175.76 175.82 2yuz s LYS 90 N -1.39 1.64 0.08 0.00 2.20 -1.26 -2.36 119.74 118.65 2yuz s LYS 90 Ca -0.10 -1.18 -0.08 0.00 -0.36 0.00 0.00 55.97 54.26 2yuz s LYS 90 Cb -0.00 -1.92 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 2yuz s LYS 90 CO 0.08 0.48 0.16 0.14 -0.36 0.00 0.00 175.35 175.85 2yuz s VAL 91 N -0.89 0.15 -0.14 4.02 -7.23 -1.24 -2.34 120.40 112.72 2yuz s VAL 91 Ca 0.12 -1.22 -0.14 0.00 -1.81 0.00 0.00 61.98 58.93 2yuz s VAL 91 Cb -0.10 -1.31 0.04 0.00 0.56 0.00 0.00 36.38 35.57 2yuz s VAL 91 CO 0.03 -0.68 0.40 -1.00 -0.31 0.00 0.00 175.10 173.54 2yuz s HIS 92 N -3.73 -0.43 -0.09 2.82 3.76 -1.14 -4.03 115.29 112.45 2yuz s HIS 92 Ca 0.04 1.04 0.03 0.00 -0.15 0.00 0.00 55.06 56.03 2yuz s HIS 92 Cb 0.05 0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.87 2yuz s HIS 92 CO -0.10 -0.22 -0.20 0.54 -0.85 0.00 0.00 174.74 173.91 2yuz s VAL 93 N 0.16 2.48 -0.00 -0.90 0.11 -1.26 -2.62 120.40 118.37 2yuz s VAL 93 Ca -0.00 -0.89 -0.22 0.00 -2.93 0.00 0.00 61.98 57.93 2yuz s VAL 93 Cb -0.03 -1.97 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2yuz s VAL 93 CO 0.01 0.56 0.66 -0.63 -3.33 0.00 0.00 175.10 172.36 2yuz s ILE 94 N 0.04 4.88 0.75 7.04 1.01 -0.98 -4.87 121.20 129.06 2yuz s ILE 94 Ca -0.08 1.39 -0.14 0.00 0.00 0.00 0.00 60.65 61.82 2yuz s ILE 94 Cb -0.15 -4.00 0.05 0.00 0.01 0.00 0.00 42.46 38.37 2yuz s ILE 94 CO 0.05 0.38 1.18 -0.94 0.00 0.00 0.00 174.94 175.60 2yuz s SER 95 N 0.01 4.14 0.00 3.58 1.04 -1.26 -1.37 113.70 119.84 2yuz s SER 95 Ca 0.34 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.02 2yuz s SER 95 Cb -0.19 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2yuz s SER 95 CO 0.19 -2.30 0.00 0.61 0.98 0.00 0.00 173.24 172.72 2yuz n GLY 96 N 0.14 4.67 0.09 7.32 0.00 -1.26 -4.76 105.19 111.38 2yuz n GLY 96 Ca 0.12 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.90 2yuz n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuz n PRO 97 N 0.00 0.13 -3.15 1.61 -0.04 -1.26 -4.37 135.00 127.92 2yuz n PRO 97 Ca 0.00 0.37 -0.45 0.00 -0.04 0.00 0.00 63.50 63.38 2yuz n PRO 97 Cb 0.00 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 2yuz n PRO 97 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yuz s SER 98 N -3.84 6.57 0.27 3.54 0.01 -1.26 -4.99 113.70 114.00 2yuz s SER 98 Ca 0.05 -2.17 -0.05 0.00 1.31 0.00 0.00 55.95 55.09 2yuz s SER 98 Cb 0.09 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 2yuz s SER 98 CO 0.35 -0.86 0.35 -0.44 0.41 0.00 0.00 173.24 173.05 2yuz s SER 99 N 3.01 0.41 0.00 2.44 0.01 -1.26 -5.11 113.70 113.20 2yuz s SER 99 Ca 0.20 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.17 2yuz s SER 99 Cb -0.12 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2yuz s SER 99 CO -0.05 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.12