#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oau s GLU 7 N 0.00 4.12 -0.00 -1.09 8.01 -1.26 -4.88 118.70 123.60 1oau s GLU 7 Ca 0.00 2.47 -0.23 0.00 0.01 0.00 0.00 54.97 57.21 1oau s GLU 7 Cb 0.00 -2.95 -0.18 0.00 -4.31 0.00 0.00 34.13 26.68 1oau s GLU 7 CO 0.00 -0.48 1.25 0.66 0.01 0.00 0.00 175.26 176.70 1oau h SER 8 N 3.01 0.21 -4.42 -0.19 4.64 -1.96 -3.33 113.55 111.50 1oau h SER 8 Ca -0.50 -0.55 -0.18 0.00 -0.47 0.00 0.00 61.79 60.09 1oau h SER 8 Cb 1.24 -0.06 -0.24 0.00 -0.31 0.00 0.00 62.40 63.03 1oau h SER 8 CO 0.64 0.72 -0.59 0.00 -0.87 0.00 0.00 176.83 176.72 1oau s ALA 9 N -4.03 -0.18 -0.05 5.18 0.00 -1.26 -0.92 121.76 120.50 1oau s ALA 9 Ca -0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 1oau s ALA 9 Cb 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1oau s ALA 9 CO 0.72 -0.12 0.21 -0.51 0.00 0.00 0.00 175.76 176.06 1oau s LEU 10 N -0.74 1.23 -0.08 0.00 1.43 -0.77 -4.93 118.68 114.81 1oau s LEU 10 Ca -0.08 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1oau s LEU 10 Cb -0.05 0.79 -0.00 0.00 0.03 0.00 0.00 46.19 46.96 1oau s LEU 10 CO 0.00 -0.19 -0.21 -0.89 0.23 0.00 0.00 176.35 175.29 1oau s THR 11 N -0.41 1.83 0.02 5.49 2.01 -1.26 -0.49 115.64 122.83 1oau s THR 11 Ca -0.05 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1oau s THR 11 Cb -0.03 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 1oau s THR 11 CO 0.01 0.51 0.01 1.07 -0.69 0.00 0.00 174.62 175.53 1oau n THR 12 N 3.38 0.00 -4.10 -0.82 5.66 0.70 -4.96 114.28 114.14 1oau n THR 12 Ca -0.19 -0.13 -0.11 0.00 -3.05 0.00 0.00 64.05 60.57 1oau n THR 12 Cb 0.53 0.05 -0.11 0.00 -1.55 0.00 0.00 70.33 69.25 1oau n THR 12 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1oau s SER 13 N -1.14 0.82 0.12 1.09 0.01 -1.26 -1.34 113.70 112.00 1oau s SER 13 Ca 0.01 -0.79 -0.35 0.00 1.31 0.00 0.00 55.95 56.13 1oau s SER 13 Cb 0.00 0.09 -0.15 0.00 0.21 0.00 0.00 66.02 66.17 1oau s SER 13 CO 0.01 -0.38 1.48 -2.65 0.41 0.00 0.00 173.24 172.11 1oau n PRO 14 N 0.70 1.70 0.00 12.44 -0.02 -1.26 -1.32 135.00 147.24 1oau n PRO 14 Ca -0.18 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1oau n PRO 14 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1oau n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oau n GLY 15 N 3.04 2.53 3.82 -1.23 0.00 0.20 -4.88 105.19 108.67 1oau n GLY 15 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1oau n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oau s GLU 16 N -0.34 0.65 -0.08 1.61 2.02 -0.43 -3.93 118.70 118.20 1oau s GLU 16 Ca 0.00 -0.05 0.03 0.00 0.02 0.00 0.00 54.97 54.97 1oau s GLU 16 Cb 0.00 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.40 1oau s GLU 16 CO 0.00 -2.47 -0.15 0.99 0.02 0.00 0.00 175.26 173.65 1oau s THR 17 N -3.49 2.93 -0.00 3.63 2.01 -1.26 -0.28 115.64 119.18 1oau s THR 17 Ca 0.68 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1oau s THR 17 Cb -0.09 -2.17 -0.00 0.00 0.01 0.00 0.00 72.50 70.24 1oau s THR 17 CO 0.53 0.57 0.03 0.54 -0.69 0.00 0.00 174.62 175.60 1oau s VAL 18 N -0.31 0.05 -0.08 3.82 0.11 -1.05 -5.00 120.40 117.94 1oau s VAL 18 Ca 0.02 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1oau s VAL 18 Cb -0.13 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1oau s VAL 18 CO 0.03 -0.23 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.50 1oau s THR 19 N -0.69 1.56 -0.03 5.04 2.01 -1.26 -0.94 115.64 121.33 1oau s THR 19 Ca -0.08 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1oau s THR 19 Cb -0.05 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1oau s THR 19 CO -0.00 0.45 0.06 -0.76 -0.69 0.00 0.00 174.62 173.68 1oau s LEU 20 N 0.53 3.82 0.25 4.42 1.02 0.32 -4.94 118.68 124.10 1oau s LEU 20 Ca -0.16 0.15 0.11 0.00 0.02 0.00 0.00 54.13 54.25 1oau s LEU 20 Cb -0.17 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.87 1oau s LEU 20 CO 0.06 0.31 -0.16 0.42 0.02 0.00 0.00 176.35 177.00 1oau s THR 21 N -1.10 2.71 -0.33 5.49 -4.23 -1.26 0.46 115.64 117.37 1oau s THR 21 Ca 0.20 -2.17 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1oau s THR 21 Cb -0.12 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.44 1oau s THR 21 CO 0.10 -0.31 0.15 0.00 -0.54 0.00 0.00 174.62 174.02 1oau s ARG 23 N 1.53 3.41 0.11 0.00 3.52 -1.26 -2.01 118.95 124.24 1oau s ARG 23 Ca 0.12 -0.07 0.06 0.00 -0.13 0.00 0.00 55.73 55.71 1oau s ARG 23 Cb -0.19 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.68 1oau s ARG 23 CO -0.20 -0.14 -0.16 0.45 -0.81 0.00 0.00 175.30 174.44 1oau s SER 24 N -4.11 2.10 0.10 -2.12 0.15 -1.25 -4.88 113.70 103.69 1oau s SER 24 Ca 0.46 -0.73 0.24 0.00 0.70 0.00 0.00 55.95 56.61 1oau s SER 24 Cb -0.10 -0.09 0.21 0.00 -1.71 0.00 0.00 66.02 64.33 1oau s SER 24 CO 0.41 -0.06 1.19 -1.54 1.20 0.00 0.00 173.24 174.44 1oau n SER 25 N 0.86 0.68 0.09 5.45 3.41 -1.26 -4.12 113.62 118.74 1oau n SER 25 Ca -0.18 0.04 -0.18 0.00 -0.26 0.00 0.00 58.87 58.29 1oau n SER 25 Cb 0.55 0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 64.76 1oau n SER 25 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1oau h THR 26 N 0.00 1.31 0.00 6.66 1.35 -2.04 -3.49 112.91 116.70 1oau h THR 26 Ca 0.00 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1oau h THR 26 Cb 0.77 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 1oau h THR 26 CO 0.00 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1oau n GLY 27 N 1.63 -0.46 3.76 5.82 0.00 -1.26 -5.13 105.19 109.55 1oau n GLY 27 Ca -0.13 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1oau n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oau s ALA 28 N -1.00 3.40 0.08 4.61 0.00 -1.26 -3.96 121.76 123.64 1oau s ALA 28 Ca 0.00 0.91 -0.31 0.00 0.00 0.00 0.00 51.96 52.56 1oau s ALA 28 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1oau s ALA 28 CO 0.00 -0.18 1.22 0.08 0.00 0.00 0.00 175.76 176.88 1oau s VAL 29 N -1.18 3.88 0.46 0.00 1.01 -1.24 -4.97 120.40 118.36 1oau s VAL 29 Ca 0.45 1.38 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1oau s VAL 29 Cb -0.32 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1oau s VAL 29 CO 0.41 0.12 0.04 0.42 0.00 0.00 0.00 175.10 176.09 1oau s THR 30 N 0.92 1.67 0.25 3.92 -4.23 -1.26 -4.67 115.64 112.24 1oau s THR 30 Ca 0.59 -1.96 0.36 0.00 -1.18 0.00 0.00 61.69 59.50 1oau s THR 30 Cb -0.31 -2.63 0.39 0.00 1.34 0.00 0.00 72.50 71.29 1oau s THR 30 CO 0.30 0.00 2.09 0.71 -0.54 0.00 0.00 174.62 177.18 1oau h THR 31 N 1.54 0.00 0.00 3.99 1.35 -1.99 -0.73 112.91 117.07 1oau h THR 31 Ca -0.44 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1oau h THR 31 Cb 1.27 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1oau h THR 31 CO 0.77 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.50 1oau n SER 32 N -2.93 0.00 0.01 5.36 3.41 -1.26 -2.07 113.62 116.14 1oau n SER 32 Ca -0.01 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 1oau n SER 32 Cb 0.18 -0.43 0.13 0.00 -0.26 0.00 0.00 64.21 63.83 1oau n SER 32 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1oau n ASN 33 N -1.43 0.64 -4.22 4.04 5.03 -0.28 -4.98 115.26 114.06 1oau n ASN 33 Ca 0.06 -0.40 -0.37 0.00 0.87 0.00 0.00 54.58 54.74 1oau n ASN 33 Cb 0.20 0.49 -0.05 0.00 -1.02 0.00 0.00 39.78 39.40 1oau n ASN 33 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1oau n TYR 34 N -1.58 -1.28 -1.55 3.10 4.02 -0.88 -4.77 117.16 114.21 1oau n TYR 34 Ca 0.05 0.38 -0.52 0.00 -0.01 0.00 0.00 57.90 57.80 1oau n TYR 34 Cb 0.35 -2.74 -0.05 0.00 -0.02 0.00 0.00 39.34 36.87 1oau n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oau n ALA 35 N -4.75 -1.57 -2.48 -0.72 0.00 -1.26 -3.25 120.51 106.49 1oau n ALA 35 Ca -0.24 0.50 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 1oau n ALA 35 Cb 0.64 -1.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 1oau n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oau s ASN 36 N 0.07 3.75 -0.09 0.00 0.01 -1.26 -3.13 114.94 114.29 1oau s ASN 36 Ca 0.79 -0.75 -0.00 0.00 -0.71 0.00 0.00 52.86 52.19 1oau s ASN 36 Cb -0.97 -0.44 0.02 0.00 0.41 0.00 0.00 41.25 40.28 1oau s ASN 36 CO 0.52 0.12 -0.05 0.26 -1.51 0.00 0.00 177.10 176.43 1oau s TRP 37 N -1.66 1.13 -0.07 2.20 0.52 0.75 -3.85 118.94 117.95 1oau s TRP 37 Ca 0.22 -0.47 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1oau s TRP 37 Cb -0.08 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.24 1oau s TRP 37 CO 0.12 -0.39 -0.13 0.08 0.02 0.00 0.00 176.95 176.65 1oau s VAL 38 N 1.60 1.18 -0.23 4.03 1.01 0.78 -1.55 120.40 127.23 1oau s VAL 38 Ca 0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1oau s VAL 38 Cb -0.13 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1oau s VAL 38 CO -0.05 0.37 0.14 -1.58 0.00 0.00 0.00 175.10 173.98 1oau s GLN 39 N 0.75 4.08 -0.28 2.72 0.74 0.20 0.08 119.66 127.94 1oau s GLN 39 Ca -0.13 -0.27 -0.06 0.00 0.05 0.00 0.00 55.36 54.95 1oau s GLN 39 Cb -0.16 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1oau s GLN 39 CO 0.03 0.13 0.06 -2.00 -0.55 0.00 0.00 175.29 172.95 1oau s GLU 40 N 0.86 3.16 0.15 1.67 2.12 0.37 -0.74 118.70 126.29 1oau s GLU 40 Ca 0.07 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1oau s GLU 40 Cb -0.13 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1oau s GLU 40 CO 0.03 -0.39 0.31 0.15 -0.54 0.00 0.00 175.26 174.81 1oau s LYS 41 N 1.50 3.47 0.92 4.30 -0.14 0.10 -2.04 119.74 127.86 1oau s LYS 41 Ca 0.03 -0.46 -0.16 0.00 -1.36 0.00 0.00 55.97 54.02 1oau s LYS 41 Cb -0.17 -2.94 -0.11 0.00 -1.68 0.00 0.00 37.83 32.93 1oau s LYS 41 CO 0.02 0.50 -0.46 -2.30 -0.76 0.00 0.00 175.35 172.35 1oau n PRO 42 N -0.38 -0.03 -1.22 -1.68 -0.02 -1.26 -1.13 135.00 129.27 1oau n PRO 42 Ca -0.06 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.38 1oau n PRO 42 Cb 0.53 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.81 1oau n PRO 42 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1oau n ASP 43 N 2.39 -3.41 -3.61 2.55 -0.08 -1.26 -3.77 116.55 109.37 1oau n ASP 43 Ca 0.01 0.10 -0.20 0.00 -1.51 0.00 0.00 54.79 53.20 1oau n ASP 43 Cb 0.54 -1.45 0.05 0.00 2.34 0.00 0.00 41.12 42.60 1oau n ASP 43 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1oau n HIS 44 N -2.98 -2.00 -3.57 -0.67 8.25 -1.18 -4.97 115.22 108.10 1oau n HIS 44 Ca -0.05 0.87 -0.40 0.00 -0.26 0.00 0.00 57.72 57.88 1oau n HIS 44 Cb 0.19 -4.63 -0.08 0.00 1.12 0.00 0.00 29.99 26.59 1oau n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oau s LEU 45 N -6.57 5.69 0.47 2.41 1.43 -0.29 -4.97 118.68 116.85 1oau s LEU 45 Ca 0.00 -2.09 -0.09 0.00 -1.03 0.00 0.00 54.13 50.92 1oau s LEU 45 Cb -0.00 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1oau s LEU 45 CO 0.78 -0.64 0.82 -0.36 0.23 0.00 0.00 176.35 177.19 1oau s PHE 46 N 1.10 3.52 -0.09 0.29 0.40 -1.26 -0.72 117.98 121.22 1oau s PHE 46 Ca 0.08 1.03 -0.24 0.00 -0.60 0.00 0.00 56.93 57.19 1oau s PHE 46 Cb -0.24 -2.45 0.06 0.00 0.51 0.00 0.00 43.02 40.89 1oau s PHE 46 CO -0.02 -0.26 0.57 0.99 0.70 0.00 0.00 175.22 177.20 1oau s THR 47 N -2.62 0.01 -0.01 0.64 2.01 0.08 -4.96 115.64 110.80 1oau s THR 47 Ca 0.51 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1oau s THR 47 Cb -0.10 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1oau s THR 47 CO 0.39 -0.06 0.71 -0.83 -0.69 0.00 0.00 174.62 174.13 1oau s GLY 48 N -0.81 2.69 0.00 4.40 0.00 -1.26 -0.63 107.32 111.72 1oau s GLY 48 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1oau s GLY 48 CO 0.06 1.05 0.00 1.04 0.00 0.00 0.00 173.10 175.26 1oau n LEU 49 N 3.14 0.00 -4.67 0.66 4.77 -0.59 -4.85 117.00 115.46 1oau n LEU 49 Ca -0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 1oau n LEU 49 Cb 0.51 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1oau n LEU 49 CO 0.46 -0.49 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.14 1oau s ILE 50 N -0.98 1.39 0.00 -0.08 1.01 -1.08 -2.37 121.20 119.09 1oau s ILE 50 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1oau s ILE 50 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1oau s ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1oau n GLY 52 N -1.09 -0.20 0.00 6.18 0.00 -1.18 -0.18 105.19 108.71 1oau n GLY 52 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1oau n GLY 52 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oau n ASN 54 N 0.00 0.00 -4.53 1.61 0.23 -1.24 -4.80 115.26 106.54 1oau n ASN 54 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 1oau n ASN 54 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1oau n ASN 54 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1oau s ASN 55 N 0.00 6.34 1.08 0.53 -0.87 -1.26 -4.71 114.94 116.05 1oau s ASN 55 Ca 0.00 -0.22 -0.18 0.00 -1.57 0.00 0.00 52.86 50.88 1oau s ASN 55 Cb 0.00 -2.31 0.25 0.00 -0.02 0.00 0.00 41.25 39.17 1oau s ASN 55 CO 0.00 -0.71 1.27 0.54 -2.57 0.00 0.00 177.10 175.63 1oau n ARG 56 N 6.16 -1.90 -4.30 -0.60 1.74 -1.26 -4.47 116.66 112.02 1oau n ARG 56 Ca -0.02 -1.98 -0.17 0.00 -0.77 0.00 0.00 57.85 54.91 1oau n ARG 56 Cb 0.48 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 1oau n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oau s ALA 57 N -3.67 1.78 0.41 7.54 0.00 -1.00 -4.99 121.76 121.82 1oau s ALA 57 Ca 0.75 -1.57 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 1oau s ALA 57 Cb -0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 1oau s ALA 57 CO 0.54 0.02 1.35 -2.14 0.00 0.00 0.00 175.76 175.53 1oau s PRO 58 N -3.59 3.95 0.00 0.00 0.02 -1.26 -0.94 135.00 133.17 1oau s PRO 58 Ca 0.19 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1oau s PRO 58 Cb 0.00 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.74 1oau s PRO 58 CO 0.04 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1oau n GLY 59 N 0.63 2.66 3.59 0.52 0.00 -1.26 -4.98 105.19 106.35 1oau n GLY 59 Ca 0.03 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1oau n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1oau n VAL 60 N 0.00 0.23 -1.47 1.61 0.31 -0.12 -4.89 118.33 114.01 1oau n VAL 60 Ca 0.00 -0.55 -0.42 0.00 -0.01 0.00 0.00 64.34 63.36 1oau n VAL 60 Cb 0.00 -2.63 0.01 0.00 -0.91 0.00 0.00 33.84 30.31 1oau n VAL 60 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1oau n PRO 61 N 8.83 0.64 0.00 5.55 -0.04 -1.26 -4.62 135.00 144.10 1oau n PRO 61 Ca 0.32 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 64.09 1oau n PRO 61 Cb 0.47 -1.55 0.44 0.00 -0.04 0.00 0.00 33.50 32.82 1oau n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oau n ALA 62 N -0.80 2.21 1.31 0.55 0.00 -1.26 -2.94 120.51 119.59 1oau n ALA 62 Ca 0.11 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1oau n ALA 62 Cb 0.39 -1.24 0.62 0.00 0.00 0.00 0.00 19.45 19.21 1oau n ALA 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1oau n ARG 63 N -0.87 0.46 -3.60 0.00 1.85 -1.26 -4.73 116.66 108.50 1oau n ARG 63 Ca 0.11 -0.12 -0.37 0.00 -1.00 0.00 0.00 57.85 56.47 1oau n ARG 63 Cb 0.05 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.86 1oau n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1oau s PHE 64 N -2.63 3.27 -0.03 2.89 0.40 -1.15 -1.95 117.98 118.78 1oau s PHE 64 Ca 0.25 0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.81 1oau s PHE 64 Cb 0.20 -2.35 -0.00 0.00 0.51 0.00 0.00 43.02 41.37 1oau s PHE 64 CO 0.50 -0.07 -0.16 -1.54 0.70 0.00 0.00 175.22 174.65 1oau s SER 65 N 1.44 1.99 -0.22 1.36 1.04 -0.72 -4.96 113.70 113.63 1oau s SER 65 Ca 0.08 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1oau s SER 65 Cb -0.15 -0.47 0.01 0.00 0.10 0.00 0.00 66.02 65.51 1oau s SER 65 CO 0.08 0.15 -0.09 -0.83 0.98 0.00 0.00 173.24 173.54 1oau s GLY 66 N -0.05 1.57 0.35 7.32 0.00 -1.26 -1.06 107.32 114.19 1oau s GLY 66 Ca -0.01 -1.31 0.07 0.00 0.00 0.00 0.00 44.72 43.46 1oau s GLY 66 CO 0.01 0.44 0.26 -1.35 0.00 0.00 0.00 173.10 172.46 1oau s SER 67 N 1.37 1.94 -0.39 1.64 1.04 -0.76 -3.62 113.70 114.91 1oau s SER 67 Ca 0.03 -1.76 -0.14 0.00 0.48 0.00 0.00 55.95 54.56 1oau s SER 67 Cb -0.15 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1oau s SER 67 CO -0.06 -1.05 0.27 -0.76 0.98 0.00 0.00 173.24 172.62 1oau s LEU 68 N -3.43 4.89 -0.37 2.42 1.43 -1.26 -1.88 118.68 120.49 1oau s LEU 68 Ca 0.37 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1oau s LEU 68 Cb 0.02 -2.14 0.09 0.00 0.03 0.00 0.00 46.19 44.19 1oau s LEU 68 CO 0.26 -0.38 0.12 -0.63 0.23 0.00 0.00 176.35 175.95 1oau s ILE 69 N 1.68 3.06 0.00 -0.59 -1.09 -1.01 -5.00 121.20 118.25 1oau s ILE 69 Ca 0.05 -1.91 0.00 0.00 -2.23 0.00 0.00 60.65 56.56 1oau s ILE 69 Cb -0.18 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1oau s ILE 69 CO 0.10 -0.52 0.00 0.61 -1.23 0.00 0.00 174.94 173.90 1oau n GLY 70 N 4.55 4.09 2.47 6.18 0.00 -1.26 -2.37 105.19 118.85 1oau n GLY 70 Ca -0.04 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1oau n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oau n ASN 71 N 8.96 5.37 -3.65 1.61 4.13 -1.26 -4.94 115.26 125.48 1oau n ASN 71 Ca 0.00 -3.75 -0.15 0.00 1.68 0.00 0.00 54.58 52.36 1oau n ASN 71 Cb 0.00 -0.57 -0.08 0.00 -1.54 0.00 0.00 39.78 37.59 1oau n ASN 71 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1oau s LYS 72 N -3.66 0.78 0.43 3.52 1.02 -1.00 -3.65 119.74 117.19 1oau s LYS 72 Ca 0.50 0.37 -0.23 0.00 0.02 0.00 0.00 55.97 56.63 1oau s LYS 72 Cb 0.41 0.37 -0.09 0.00 -0.52 0.00 0.00 37.83 38.01 1oau s LYS 72 CO -0.18 -0.18 1.06 0.00 -0.92 0.00 0.00 175.35 175.13 1oau s ALA 73 N -0.58 3.02 0.01 5.17 0.00 -0.85 -2.41 121.76 126.11 1oau s ALA 73 Ca -0.07 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1oau s ALA 73 Cb -0.03 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1oau s ALA 73 CO 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 175.76 175.49 1oau s ALA 74 N -1.72 0.04 -0.22 0.00 0.00 -0.79 0.67 121.76 119.75 1oau s ALA 74 Ca 0.61 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1oau s ALA 74 Cb -0.22 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1oau s ALA 74 CO 0.27 -0.07 -0.15 -1.17 0.00 0.00 0.00 175.76 174.64 1oau s LEU 75 N -0.65 2.73 -0.11 0.00 2.96 0.17 -1.83 118.68 121.95 1oau s LEU 75 Ca -0.07 -0.93 0.01 0.00 -0.22 0.00 0.00 54.13 52.92 1oau s LEU 75 Cb -0.04 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1oau s LEU 75 CO -0.00 -0.08 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.90 1oau s THR 76 N 1.23 2.82 -0.40 3.68 2.01 -0.22 0.12 115.64 124.87 1oau s THR 76 Ca -0.00 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 1oau s THR 76 Cb -0.16 -2.15 0.06 0.00 0.01 0.00 0.00 72.50 70.26 1oau s THR 76 CO -0.09 0.54 0.24 -0.63 -0.69 0.00 0.00 174.62 173.99 1oau s ILE 77 N 0.23 4.35 -0.61 1.82 1.01 -0.11 -1.76 121.20 126.13 1oau s ILE 77 Ca -0.10 -1.20 -0.23 0.00 0.00 0.00 0.00 60.65 59.12 1oau s ILE 77 Cb -0.16 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.80 1oau s ILE 77 CO 0.06 -0.41 0.92 -0.89 0.00 0.00 0.00 174.94 174.63 1oau s THR 78 N 1.47 4.40 0.00 2.92 2.01 -0.82 -2.53 115.64 123.09 1oau s THR 78 Ca 0.02 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1oau s THR 78 Cb -0.22 -4.60 0.00 0.00 0.01 0.00 0.00 72.50 67.69 1oau s THR 78 CO 0.04 -1.28 0.00 0.61 -0.69 0.00 0.00 174.62 173.29 1oau n GLY 79 N 5.24 0.64 3.68 4.40 0.00 -0.60 -4.82 105.19 113.75 1oau n GLY 79 Ca -0.02 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1oau n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oau n ALA 80 N -0.87 1.10 -2.68 4.61 0.00 0.62 -4.47 120.51 118.82 1oau n ALA 80 Ca 0.00 0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.48 1oau n ALA 80 Cb 0.33 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.47 1oau n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oau s GLN 81 N -2.08 2.44 0.16 0.00 -1.52 -1.26 0.61 119.66 118.00 1oau s GLN 81 Ca 0.60 -1.22 -0.17 0.00 -1.95 0.00 0.00 55.36 52.61 1oau s GLN 81 Cb -0.53 -2.31 0.08 0.00 -0.22 0.00 0.00 33.01 30.02 1oau s GLN 81 CO 0.59 0.41 1.68 1.15 -0.25 0.00 0.00 175.29 178.87 1oau h THR 82 N 2.08 0.66 0.00 -0.19 2.02 -1.95 0.99 112.91 116.52 1oau h THR 82 Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1oau h THR 82 Cb 1.23 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1oau h THR 82 CO 0.59 0.01 0.00 -1.84 0.37 0.00 0.00 175.52 174.65 1oau n GLU 83 N -5.26 0.09 0.00 6.66 0.00 -1.26 -1.74 120.64 119.14 1oau n GLU 83 Ca 0.02 0.22 0.13 0.00 0.00 0.00 0.00 57.16 57.53 1oau n GLU 83 Cb 0.20 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 30.65 1oau n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1oau n ASP 84 N -1.27 0.18 -4.67 -1.84 8.00 0.34 -4.81 116.55 112.48 1oau n ASP 84 Ca 0.03 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 1oau n ASP 84 Cb 0.04 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1oau n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1oau s GLU 85 N -2.96 4.14 -0.05 -1.24 2.12 -0.71 -4.86 118.70 115.14 1oau s GLU 85 Ca 0.14 2.59 -0.24 0.00 0.36 0.00 0.00 54.97 57.82 1oau s GLU 85 Cb 0.19 -3.89 0.08 0.00 0.26 0.00 0.00 34.13 30.77 1oau s GLU 85 CO 0.58 -0.90 1.09 0.00 -0.54 0.00 0.00 175.26 175.49 1oau n ALA 86 N 6.65 -3.11 -2.80 6.30 0.00 -0.87 -4.90 120.51 121.78 1oau n ALA 86 Ca 0.19 -0.63 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 1oau n ALA 86 Cb 0.40 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1oau n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1oau s ILE 87 N -2.02 4.95 -0.23 0.00 1.01 -0.86 -0.32 121.20 123.72 1oau s ILE 87 Ca 0.26 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.88 1oau s ILE 87 Cb -0.00 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1oau s ILE 87 CO -0.01 0.43 0.02 -0.31 0.00 0.00 0.00 174.94 175.07 1oau s TYR 88 N 0.53 3.03 -0.13 3.97 1.51 0.34 -0.48 117.35 126.12 1oau s TYR 88 Ca 0.05 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1oau s TYR 88 Cb -0.12 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1oau s TYR 88 CO 0.01 -0.40 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.97 1oau s PHE 89 N 1.44 3.08 -0.12 2.71 0.08 0.11 -0.15 117.98 125.14 1oau s PHE 89 Ca 0.05 -0.09 0.20 0.00 0.12 0.00 0.00 56.93 57.21 1oau s PHE 89 Cb -0.15 -1.91 -0.29 0.00 -0.57 0.00 0.00 43.02 40.10 1oau s PHE 89 CO 0.01 0.16 0.27 0.00 -0.10 0.00 0.00 175.22 175.56 1oau s GLY 103 N -5.00 0.69 -0.15 0.00 0.00 -1.26 -4.78 107.32 96.82 1oau s GLY 103 Ca -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1oau s GLY 103 CO 0.87 -0.95 -0.17 -1.59 0.00 0.00 0.00 173.10 171.26 1oau s THR 104 N -1.45 2.53 -0.73 0.90 2.01 0.79 -4.60 115.64 115.09 1oau s THR 104 Ca -0.05 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 60.87 1oau s THR 104 Cb -0.09 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1oau s THR 104 CO 0.01 0.52 1.24 -0.75 -0.69 0.00 0.00 174.62 174.95 1oau s LYS 105 N 0.85 3.19 -0.29 4.92 2.20 -0.09 -0.50 119.74 130.01 1oau s LYS 105 Ca -0.05 -0.30 -0.19 0.00 -0.36 0.00 0.00 55.97 55.07 1oau s LYS 105 Cb -0.15 -4.18 -0.02 0.00 -1.51 0.00 0.00 37.83 31.97 1oau s LYS 105 CO -0.01 -2.10 0.57 -1.17 -0.36 0.00 0.00 175.35 172.27 1oau s LEU 106 N 5.54 4.13 -0.20 5.43 2.96 0.57 -1.85 118.68 135.25 1oau s LEU 106 Ca 0.34 0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 54.55 1oau s LEU 106 Cb -0.09 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 1oau s LEU 106 CO 0.15 -0.40 0.14 -0.89 -1.32 0.00 0.00 176.35 174.03 1oau s THR 107 N 2.45 5.40 -0.55 3.68 2.01 0.35 -2.06 115.64 126.93 1oau s THR 107 Ca 0.23 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 1oau s THR 107 Cb -0.15 -3.48 0.14 0.00 0.01 0.00 0.00 72.50 69.02 1oau s THR 107 CO 0.11 0.44 0.38 -0.69 -0.69 0.00 0.00 174.62 174.16 1oau s VAL 108 N 0.37 3.73 -2.00 3.82 1.01 -1.26 -0.21 120.40 125.85 1oau s VAL 108 Ca 0.09 -2.55 0.26 0.00 0.00 0.00 0.00 61.98 59.79 1oau s VAL 108 Cb -0.11 -3.46 0.75 0.00 0.00 0.00 0.00 36.38 33.56 1oau s VAL 108 CO -0.02 -0.82 1.93 -0.11 0.00 0.00 0.00 175.10 176.09