#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1acx n PRO 2 N 0.00 1.79 -3.77 0.00 -0.04 -1.24 -4.60 135.00 127.14 1acx n PRO 2 Ca 0.00 0.65 -0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1acx n PRO 2 Cb 0.00 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 30.94 1acx n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1acx s ALA 3 N -1.25 -0.75 -0.07 0.55 0.00 -0.03 -4.99 121.76 115.22 1acx s ALA 3 Ca 0.65 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 1acx s ALA 3 Cb -0.48 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1acx s ALA 3 CO 0.55 -0.16 0.05 0.12 0.00 0.00 0.00 175.76 176.32 1acx s PHE 4 N -0.05 0.28 0.24 0.00 5.36 -1.26 -2.28 117.98 120.27 1acx s PHE 4 Ca -0.02 0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.00 1acx s PHE 4 Cb -0.03 -0.61 -0.05 0.00 -0.34 0.00 0.00 43.02 41.99 1acx s PHE 4 CO 0.01 -0.27 0.09 -1.12 -1.46 0.00 0.00 175.22 172.47 1acx s SER 5 N 2.10 1.01 -0.09 6.13 0.01 -1.10 -4.90 113.70 116.85 1acx s SER 5 Ca 0.05 -1.36 -0.04 0.00 1.31 0.00 0.00 55.95 55.91 1acx s SER 5 Cb -0.13 0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.35 1acx s SER 5 CO -0.04 -0.73 0.18 0.68 0.41 0.00 0.00 173.24 173.73 1acx s VAL 6 N -3.82 -0.21 -0.53 3.43 -7.23 -1.26 -1.58 120.40 109.19 1acx s VAL 6 Ca 0.36 0.28 -0.28 0.00 -1.81 0.00 0.00 61.98 60.54 1acx s VAL 6 Cb 0.07 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.71 1acx s VAL 6 CO 0.12 0.12 1.55 -0.55 -0.31 0.00 0.00 175.10 176.03 1acx s SER 7 N 1.95 5.95 0.00 4.85 0.15 0.69 -3.78 113.70 123.51 1acx s SER 7 Ca -0.01 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1acx s SER 7 Cb -0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1acx s SER 7 CO -0.06 -1.82 0.00 -0.81 1.20 0.00 0.00 173.24 171.75 1acx n PRO 8 N 8.70 0.00 0.01 5.44 -0.04 -1.26 -3.51 135.00 144.34 1acx n PRO 8 Ca 0.15 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1acx n PRO 8 Cb 0.49 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.82 1acx n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1acx n ALA 9 N 0.00 3.00 -2.48 0.55 0.00 -1.25 -4.83 120.51 115.50 1acx n ALA 9 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 1acx n ALA 9 Cb 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 1acx n ALA 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1acx s SER 10 N -4.45 3.63 -1.45 0.00 1.04 -1.26 -3.11 113.70 108.11 1acx s SER 10 Ca -0.05 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 1acx s SER 10 Cb 0.14 -0.33 0.05 0.00 0.10 0.00 0.00 66.02 65.98 1acx s SER 10 CO 0.88 0.05 1.00 0.61 0.98 0.00 0.00 173.24 176.76 1acx n GLY 11 N -0.54 -0.48 3.85 7.32 0.00 -1.26 -4.95 105.19 109.13 1acx n GLY 11 Ca -0.06 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1acx n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1acx s ALA 12 N -3.35 3.56 0.00 4.61 0.00 -1.26 -4.96 121.76 120.35 1acx s ALA 12 Ca 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1acx s ALA 12 Cb -0.26 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1acx s ALA 12 CO 0.80 0.45 0.00 0.43 0.00 0.00 0.00 175.76 177.44 1acx n SER 13 N 0.68 0.00 0.00 0.00 7.64 -1.26 -2.65 113.62 118.03 1acx n SER 13 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1acx n SER 13 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1acx n SER 13 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1acx n ASP 14 N 0.00 0.00 -1.38 6.43 4.64 -1.26 -4.32 116.55 120.65 1acx n ASP 14 Ca 0.00 0.00 -0.07 0.00 -1.38 0.00 0.00 54.79 53.34 1acx n ASP 14 Cb 0.00 0.00 0.05 0.00 -1.04 0.00 0.00 41.12 40.13 1acx n ASP 14 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1acx n GLY 15 N 2.19 2.77 3.78 0.27 0.00 -1.23 -2.79 105.19 110.18 1acx n GLY 15 Ca 0.00 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1acx n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1acx s GLN 16 N -0.91 4.58 -0.06 1.61 0.74 -1.26 -4.85 119.66 119.51 1acx s GLN 16 Ca 0.16 1.24 -0.16 0.00 0.05 0.00 0.00 55.36 56.65 1acx s GLN 16 Cb 0.13 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1acx s GLN 16 CO 0.03 0.42 0.43 -1.12 -0.55 0.00 0.00 175.29 174.50 1acx s SER 17 N -1.42 6.73 0.11 6.67 0.01 -1.26 -2.35 113.70 122.20 1acx s SER 17 Ca 0.44 0.87 0.09 0.00 1.31 0.00 0.00 55.95 58.65 1acx s SER 17 Cb -0.21 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1acx s SER 17 CO 0.26 0.16 -0.18 0.54 0.41 0.00 0.00 173.24 174.43 1acx s VAL 18 N -0.21 2.87 -0.36 3.43 0.11 0.43 -4.90 120.40 121.78 1acx s VAL 18 Ca 0.24 -1.47 -0.16 0.00 -2.93 0.00 0.00 61.98 57.65 1acx s VAL 18 Cb -0.16 -2.31 -0.00 0.00 -1.53 0.00 0.00 36.38 32.38 1acx s VAL 18 CO 0.11 0.11 0.42 -0.55 -3.33 0.00 0.00 175.10 171.87 1acx s SER 19 N -2.11 6.22 -0.01 3.54 0.15 -1.23 -0.42 113.70 119.84 1acx s SER 19 Ca 0.18 -0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 1acx s SER 19 Cb -0.11 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1acx s SER 19 CO 0.10 -0.43 0.20 0.68 1.20 0.00 0.00 173.24 174.99 1acx s VAL 20 N 2.15 5.41 0.07 4.45 -7.23 -1.00 -0.22 120.40 124.03 1acx s VAL 20 Ca 0.14 -0.07 0.03 0.00 -1.81 0.00 0.00 61.98 60.27 1acx s VAL 20 Cb -0.16 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 1acx s VAL 20 CO 0.13 0.35 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.74 1acx s SER 21 N -1.84 1.14 -0.14 4.85 0.01 -0.62 -3.31 113.70 113.80 1acx s SER 21 Ca 0.27 -0.70 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 1acx s SER 21 Cb -0.13 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.17 1acx s SER 21 CO 0.17 -0.25 0.37 0.54 0.41 0.00 0.00 173.24 174.48 1acx s VAL 22 N -2.00 -0.00 -0.08 3.43 0.11 0.67 -2.72 120.40 119.81 1acx s VAL 22 Ca -0.02 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.91 1acx s VAL 22 Cb -0.06 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1acx s VAL 22 CO -0.00 0.00 0.32 0.00 -3.33 0.00 0.00 175.10 172.10 1acx s ALA 23 N 0.31 -0.81 0.00 1.54 0.00 -0.96 0.19 121.76 122.02 1acx s ALA 23 Ca -0.01 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1acx s ALA 23 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1acx s ALA 23 CO -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 175.76 175.55 1acx n ALA 24 N 2.18 -0.60 -2.00 0.00 0.00 -1.26 -0.85 120.51 117.97 1acx n ALA 24 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1acx n ALA 24 Cb 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1acx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1acx n ALA 25 N -1.22 0.00 0.00 0.00 0.00 -1.26 -3.69 120.51 114.34 1acx n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1acx n ALA 25 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1acx n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1acx n GLY 26 N 0.00 3.84 0.00 0.00 0.00 -1.26 -4.81 105.19 102.96 1acx n GLY 26 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1acx n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1acx n GLU 27 N -0.18 0.00 -4.68 1.61 1.02 -1.26 -4.90 120.64 112.24 1acx n GLU 27 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1acx n GLU 27 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1acx n GLU 27 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1acx s THR 28 N 0.00 3.41 0.38 2.62 2.01 -1.26 -1.14 115.64 121.66 1acx s THR 28 Ca 0.00 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1acx s THR 28 Cb 0.00 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1acx s THR 28 CO 0.00 0.55 0.19 -0.31 -0.69 0.00 0.00 174.62 174.36 1acx s TYR 29 N -0.22 1.76 0.09 4.92 2.02 -0.46 -4.62 117.35 120.84 1acx s TYR 29 Ca 0.02 -1.44 0.04 0.00 -0.37 0.00 0.00 57.07 55.32 1acx s TYR 29 Cb -0.13 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1acx s TYR 29 CO 0.03 -0.52 -0.11 0.71 -1.57 0.00 0.00 175.55 174.09 1acx s TYR 30 N -3.30 1.08 0.15 2.71 1.51 -0.93 -2.65 117.35 115.92 1acx s TYR 30 Ca 0.29 -0.60 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1acx s TYR 30 Cb 0.02 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1acx s TYR 30 CO 0.19 0.02 0.05 -1.50 -1.11 0.00 0.00 175.55 173.20 1acx s ILE 31 N -2.10 0.22 0.00 2.71 2.07 -1.23 -2.17 121.20 120.70 1acx s ILE 31 Ca 0.03 -1.94 0.00 0.00 -1.41 0.00 0.00 60.65 57.33 1acx s ILE 31 Cb -0.05 -2.13 0.00 0.00 0.13 0.00 0.00 42.46 40.41 1acx s ILE 31 CO 0.01 -0.40 0.00 0.00 -1.91 0.00 0.00 174.94 172.64 1acx n ALA 32 N -0.15 0.00 -2.68 1.50 0.00 -1.14 -3.82 120.51 114.21 1acx n ALA 32 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1acx n ALA 32 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.05 1acx n ALA 32 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1acx s GLN 33 N -2.27 4.34 0.41 0.00 -2.07 -1.24 -2.65 119.66 116.18 1acx s GLN 33 Ca 0.00 1.00 0.04 0.00 -1.82 0.00 0.00 55.36 54.58 1acx s GLN 33 Cb 0.00 -3.54 -0.04 0.00 -1.09 0.00 0.00 33.01 28.34 1acx s GLN 33 CO 0.00 -0.22 0.05 0.00 -1.32 0.00 0.00 175.29 173.80 1acx s ALA 35 N -3.04 -1.48 -0.32 0.00 0.00 -0.82 -2.42 121.76 113.68 1acx s ALA 35 Ca 0.25 1.50 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 1acx s ALA 35 Cb 0.06 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 1acx s ALA 35 CO 0.13 -1.06 2.27 -0.35 0.00 0.00 0.00 175.76 176.74 1acx n PRO 36 N 5.40 1.53 -4.34 0.00 -0.04 -1.26 -2.68 135.00 133.61 1acx n PRO 36 Ca -0.06 0.36 -0.17 0.00 -0.04 0.00 0.00 63.50 63.59 1acx n PRO 36 Cb 0.50 -3.05 -0.10 0.00 -0.04 0.00 0.00 33.50 30.80 1acx n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1acx s VAL 37 N 8.86 1.01 0.00 0.52 1.01 0.41 -4.74 120.40 127.46 1acx s VAL 37 Ca 1.03 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1acx s VAL 37 Cb -0.45 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1acx s VAL 37 CO 0.37 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1acx n GLY 38 N -0.45 0.00 1.52 4.51 0.00 -1.26 0.92 105.19 110.43 1acx n GLY 38 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1acx n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1acx n GLY 39 N 0.00 0.72 3.78 -0.02 0.00 -1.26 -5.04 105.19 103.37 1acx n GLY 39 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1acx n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1acx s GLN 40 N -0.34 2.20 -0.38 1.61 -0.21 5.69 -5.09 119.66 123.13 1acx s GLN 40 Ca 0.00 -2.09 -0.05 0.00 0.02 0.00 0.00 55.36 53.24 1acx s GLN 40 Cb 0.00 -1.83 0.08 0.00 1.00 0.00 0.00 33.01 32.26 1acx s GLN 40 CO 0.00 -0.32 0.17 -0.51 -2.12 0.00 0.00 175.29 172.51 1acx s ASP 41 N -3.97 5.30 -0.44 5.90 1.11 -1.26 0.15 116.67 123.46 1acx s ASP 41 Ca 0.27 -1.65 -0.19 0.00 0.18 0.00 0.00 52.55 51.16 1acx s ASP 41 Cb 0.02 -1.86 0.03 0.00 1.07 0.00 0.00 42.92 42.18 1acx s ASP 41 CO 0.15 -0.47 0.58 0.00 1.18 0.00 0.00 175.17 176.61 1acx s ALA 42 N 1.27 3.37 0.30 5.23 0.00 -1.09 -2.67 121.76 128.17 1acx s ALA 42 Ca 0.03 -1.36 0.10 0.00 0.00 0.00 0.00 51.96 50.73 1acx s ALA 42 Cb -0.22 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1acx s ALA 42 CO -0.01 -1.75 -0.05 0.00 0.00 0.00 0.00 175.76 173.95 1acx s ASN 44 N -3.64 6.30 0.00 0.00 2.47 -1.14 -3.51 114.94 115.42 1acx s ASN 44 Ca 0.32 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.40 1acx s ASN 44 Cb -0.04 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 1acx s ASN 44 CO 0.18 -1.65 0.00 -0.81 -3.72 0.00 0.00 177.10 171.10 1acx n PRO 45 N 8.86 0.00 0.00 0.43 -0.04 -1.26 -3.81 135.00 139.18 1acx n PRO 45 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1acx n PRO 45 Cb 0.49 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1acx n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1acx n ALA 46 N 1.40 0.00 0.00 0.55 0.00 -1.26 -4.80 120.51 116.40 1acx n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1acx n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1acx n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1acx n THR 47 N 0.00 0.00 -2.91 0.00 5.66 -1.26 -3.91 114.28 111.86 1acx n THR 47 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1acx n THR 47 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1acx n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1acx s ALA 48 N 0.00 3.33 0.00 1.79 0.00 -1.25 -4.75 121.76 120.88 1acx s ALA 48 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1acx s ALA 48 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1acx s ALA 48 CO 0.00 -1.78 0.00 -2.37 0.00 0.00 0.00 175.76 171.61 1acx n THR 49 N 6.08 0.00 -4.14 0.00 5.66 -1.25 -5.01 114.28 115.62 1acx n THR 49 Ca 0.04 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.92 1acx n THR 49 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1acx n THR 49 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1acx s SER 50 N 1.00 1.10 0.15 1.09 1.04 -1.26 -3.55 113.70 113.27 1acx s SER 50 Ca 0.00 -0.85 -0.13 0.00 0.48 0.00 0.00 55.95 55.45 1acx s SER 50 Cb 0.00 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1acx s SER 50 CO 0.00 -0.37 0.36 0.72 0.98 0.00 0.00 173.24 174.93 1acx s PHE 51 N -2.84 0.06 0.00 5.02 -0.12 -1.09 -5.02 117.98 113.99 1acx s PHE 51 Ca 0.05 -0.42 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 1acx s PHE 51 Cb -0.00 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1acx s PHE 51 CO -0.03 -0.73 -0.08 0.95 -0.05 0.00 0.00 175.22 175.28 1acx s THR 52 N -3.88 0.65 0.70 -4.49 -4.23 -1.26 -1.35 115.64 101.78 1acx s THR 52 Ca 0.09 -0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 1acx s THR 52 Cb 0.02 -0.56 0.05 0.00 1.34 0.00 0.00 72.50 73.35 1acx s THR 52 CO -0.06 0.12 1.03 0.42 -0.54 0.00 0.00 174.62 175.60 1acx s THR 53 N -0.32 2.54 0.51 3.99 -4.23 -0.29 -4.81 115.64 113.03 1acx s THR 53 Ca 0.02 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 1acx s THR 53 Cb -0.04 -3.11 0.09 0.00 1.34 0.00 0.00 72.50 70.79 1acx s THR 53 CO -0.00 -0.12 0.70 -0.90 -0.54 0.00 0.00 174.62 173.76 1acx n ASP 54 N -2.94 1.44 0.04 3.99 5.68 -1.26 -4.46 116.55 119.03 1acx n ASP 54 Ca 0.07 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1acx n ASP 54 Cb 0.60 -0.41 0.03 0.00 -1.14 0.00 0.00 41.12 40.19 1acx n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1acx n ALA 55 N -2.65 0.16 0.04 2.12 0.00 -1.26 -1.61 120.51 117.31 1acx n ALA 55 Ca -0.12 0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 1acx n ALA 55 Cb 0.48 -0.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.75 1acx n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1acx n SER 56 N -1.27 1.05 0.00 0.00 3.41 -1.26 -5.09 113.62 110.46 1acx n SER 56 Ca -0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1acx n SER 56 Cb 0.47 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1acx n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1acx n GLY 57 N 3.46 0.11 1.51 5.00 0.00 -0.63 -4.15 105.19 110.49 1acx n GLY 57 Ca -0.00 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1acx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1acx n ALA 58 N -0.94 0.00 0.00 4.61 0.00 0.50 -4.62 120.51 120.06 1acx n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1acx n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1acx n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1acx n ALA 59 N -1.10 -0.21 -3.70 0.00 0.00 -1.13 -0.24 120.51 114.14 1acx n ALA 59 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1acx n ALA 59 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1acx n ALA 59 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1acx s SER 60 N 0.00 0.45 0.27 0.00 0.01 -1.26 -2.97 113.70 110.19 1acx s SER 60 Ca 0.00 0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 1acx s SER 60 Cb 0.00 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1acx s SER 60 CO 0.00 -0.21 0.37 2.22 0.41 0.00 0.00 173.24 176.03 1acx n PHE 61 N 4.88 -1.18 -4.46 2.43 -1.74 -1.21 -5.06 117.46 111.13 1acx n PHE 61 Ca -0.13 -1.84 -0.30 0.00 -0.56 0.00 0.00 57.45 54.62 1acx n PHE 61 Cb 0.50 0.41 -0.12 0.00 1.52 0.00 0.00 39.48 41.80 1acx n PHE 61 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 1acx s SER 62 N -2.68 3.99 -0.02 5.98 0.01 -1.26 -2.38 113.70 117.33 1acx s SER 62 Ca 0.23 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 1acx s SER 62 Cb -0.01 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.58 1acx s SER 62 CO 0.16 0.22 0.05 0.12 0.41 0.00 0.00 173.24 174.20 1acx s PHE 63 N -1.05 -0.02 -0.25 2.43 5.36 0.44 -4.94 117.98 119.96 1acx s PHE 63 Ca 0.17 0.17 -0.09 0.00 -0.96 0.00 0.00 56.93 56.22 1acx s PHE 63 Cb -0.11 -0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.40 1acx s PHE 63 CO 0.08 -0.08 0.12 0.95 -1.46 0.00 0.00 175.22 174.83 1acx s THR 63 N 0.77 4.82 0.57 0.12 -4.23 -1.26 0.16 115.64 116.60 1acx s THR 63 Ca -0.06 -0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.51 1acx s THR 63 Cb -0.09 -3.25 0.08 0.00 1.34 0.00 0.00 72.50 70.58 1acx s THR 63 CO -0.03 0.33 0.79 0.54 -0.54 0.00 0.00 174.62 175.72 1acx s VAL 64 N 1.38 2.33 0.00 2.29 0.11 -0.99 -4.79 120.40 120.74 1acx s VAL 64 Ca 0.06 -0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1acx s VAL 64 Cb -0.15 -2.43 -0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1acx s VAL 64 CO 0.06 0.00 0.02 -0.13 -3.33 0.00 0.00 175.10 171.72 1acx s ARG 65 N -4.71 0.24 0.21 1.54 1.81 -1.12 -3.53 118.95 113.40 1acx s ARG 65 Ca 0.61 -0.33 -0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1acx s ARG 65 Cb -0.07 0.09 0.18 0.00 -0.45 0.00 0.00 34.95 34.70 1acx s ARG 65 CO 0.39 -0.04 1.54 -0.22 -0.68 0.00 0.00 175.30 176.28 1acx h LYS 66 N 5.13 0.44 -3.13 3.54 3.64 -1.75 -3.45 116.57 120.99 1acx h LYS 66 Ca -0.29 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 58.65 1acx h LYS 66 Cb 1.21 0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 32.80 1acx h LYS 66 CO 0.44 0.88 -0.43 -1.54 -2.27 0.00 0.00 179.45 176.53 1acx s SER 67 N -6.91 -0.26 0.31 4.20 1.04 -1.26 0.59 113.70 111.42 1acx s SER 67 Ca -0.06 0.50 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 1acx s SER 67 Cb 0.12 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1acx s SER 67 CO 0.82 -0.09 0.62 -0.72 0.98 0.00 0.00 173.24 174.86 1acx s TYR 68 N 0.17 0.29 -0.04 5.02 -0.85 -1.01 -4.94 117.35 115.99 1acx s TYR 68 Ca -0.00 -0.75 -0.30 0.00 -0.52 0.00 0.00 57.07 55.51 1acx s TYR 68 Cb -0.02 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 1acx s TYR 68 CO 0.00 -1.24 0.98 0.00 -1.52 0.00 0.00 175.55 173.76 1acx s ALA 69 N -3.33 3.25 0.80 9.51 0.00 -1.26 0.48 121.76 131.21 1acx s ALA 69 Ca 0.19 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 1acx s ALA 69 Cb -0.03 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.81 1acx s ALA 69 CO 0.11 -0.36 1.19 0.20 0.00 0.00 0.00 175.76 176.91 1acx s GLY 70 N 1.03 2.14 0.00 0.00 0.00 5.52 -4.65 107.32 111.36 1acx s GLY 70 Ca 0.50 0.80 0.00 0.00 0.00 0.00 0.00 44.72 46.02 1acx s GLY 70 CO 0.24 1.21 0.00 -0.18 0.00 0.00 0.00 173.10 174.37 1acx n GLN 71 N -3.25 0.00 -1.40 2.90 7.27 -1.23 -2.28 117.38 119.40 1acx n GLN 71 Ca 0.13 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.91 1acx n GLN 71 Cb 0.51 0.00 0.12 0.00 2.41 0.00 0.00 30.24 33.28 1acx n GLN 71 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1acx s THR 72 N 0.00 2.62 0.45 1.69 -4.23 -1.09 0.36 115.64 115.44 1acx s THR 72 Ca 0.00 0.20 0.14 0.00 -1.18 0.00 0.00 61.69 60.85 1acx s THR 72 Cb 0.00 -2.84 0.31 0.00 1.34 0.00 0.00 72.50 71.32 1acx s THR 72 CO 0.00 -0.26 2.02 1.55 -0.54 0.00 0.00 174.62 177.39 1acx h PRO 73 N -1.41 0.35 -0.46 3.99 0.13 -1.92 -1.94 132.00 130.73 1acx h PRO 73 Ca -0.49 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1acx h PRO 73 Cb 1.29 -0.08 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1acx h PRO 73 CO 0.58 0.23 -0.21 1.03 -0.23 0.00 0.00 178.00 179.40 1acx h SER 74 N 0.36 -0.72 0.00 1.44 0.87 -1.92 -3.45 113.55 110.12 1acx h SER 74 Ca 0.21 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1acx h SER 74 Cb 0.38 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1acx h SER 74 CO -0.05 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 176.62 1acx n GLY 75 N -1.40 0.44 3.62 5.77 0.00 -0.73 -5.10 105.19 107.79 1acx n GLY 75 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1acx n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1acx s THR 76 N -1.00 4.77 0.61 2.61 -1.32 -1.26 -4.90 115.64 115.16 1acx s THR 76 Ca 0.00 1.36 -0.19 0.00 -1.21 0.00 0.00 61.69 61.65 1acx s THR 76 Cb 0.00 -4.17 -0.03 0.00 -1.51 0.00 0.00 72.50 66.79 1acx s THR 76 CO 0.00 -0.22 1.13 -0.81 -2.21 0.00 0.00 174.62 172.50 1acx n PRO 77 N 6.22 1.07 0.01 7.08 -0.04 -1.26 -2.98 135.00 145.10 1acx n PRO 77 Ca 0.05 0.41 -0.01 0.00 -0.04 0.00 0.00 63.50 63.91 1acx n PRO 77 Cb 0.48 -2.34 -0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1acx n PRO 77 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1acx n VAL 78 N -1.71 0.81 -0.13 0.52 3.14 -0.96 -4.85 118.33 115.15 1acx n VAL 78 Ca 0.14 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.78 1acx n VAL 78 Cb 0.47 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 1acx n VAL 78 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1acx n GLY 79 N 2.98 -2.75 3.76 7.55 0.00 -1.25 -4.86 105.19 110.62 1acx n GLY 79 Ca -0.02 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 1acx n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1acx s SER 80 N -0.14 5.66 -0.09 1.61 1.04 -1.26 0.91 113.70 121.43 1acx s SER 80 Ca 0.00 2.40 -0.00 0.00 0.48 0.00 0.00 55.95 58.83 1acx s SER 80 Cb 0.00 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.54 1acx s SER 80 CO 0.00 -1.28 -0.06 -0.69 0.98 0.00 0.00 173.24 172.19 1acx s VAL 81 N -1.54 0.85 -0.50 5.02 1.01 0.18 -4.66 120.40 120.76 1acx s VAL 81 Ca 0.70 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 1acx s VAL 81 Cb -0.31 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.27 1acx s VAL 81 CO 0.36 0.33 0.47 -0.62 0.00 0.00 0.00 175.10 175.64 1acx s ASP 82 N 1.56 6.17 0.00 3.32 -1.08 -1.26 -2.39 116.67 122.99 1acx s ASP 82 Ca 0.01 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 1acx s ASP 82 Cb -0.13 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1acx s ASP 82 CO -0.05 -0.77 0.60 0.00 0.52 0.00 0.00 175.17 175.47 1acx h ALA 84 N 1.82 0.77 0.00 0.00 0.00 -1.91 -3.40 119.26 116.55 1acx h ALA 84 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1acx h ALA 84 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1acx h ALA 84 CO 0.00 0.23 -0.68 -2.37 0.00 0.00 0.00 179.25 176.43 1acx n THR 85 N -3.00 0.00 -2.60 0.00 5.66 0.15 -5.05 114.28 109.44 1acx n THR 85 Ca 0.01 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.64 1acx n THR 85 Cb 0.61 -0.40 -0.05 0.00 -1.55 0.00 0.00 70.33 68.94 1acx n THR 85 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1acx s ASP 86 N -3.78 6.95 -0.99 1.09 -0.00 0.19 -4.94 116.67 115.18 1acx s ASP 86 Ca 0.00 2.01 -0.23 0.00 -0.00 0.00 0.00 52.55 54.32 1acx s ASP 86 Cb 0.00 -2.59 0.01 0.00 -0.00 0.00 0.00 42.92 40.34 1acx s ASP 86 CO 0.00 -0.35 1.66 0.00 -0.00 0.00 0.00 175.17 176.48 1acx s ALA 87 N -1.61 2.32 0.48 5.23 0.00 -1.26 -4.44 121.76 122.48 1acx s ALA 87 Ca 0.55 -2.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 1acx s ALA 87 Cb -0.22 -4.55 -0.07 0.00 0.00 0.00 0.00 23.12 18.28 1acx s ALA 87 CO 0.28 -4.10 0.92 0.00 0.00 0.00 0.00 175.76 172.86 1acx n ASN 89 N -1.53 -1.09 -3.63 0.00 0.23 -1.01 -4.34 115.26 103.89 1acx n ASN 89 Ca 0.05 -1.54 -0.26 0.00 -0.53 0.00 0.00 54.58 52.30 1acx n ASN 89 Cb 0.54 1.77 -0.17 0.00 -2.08 0.00 0.00 39.78 39.84 1acx n ASN 89 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1acx s LEU 90 N 0.00 0.39 0.35 -4.53 2.96 -0.01 -1.84 118.68 116.01 1acx s LEU 90 Ca 0.16 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.58 1acx s LEU 90 Cb -0.02 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 1acx s LEU 90 CO 0.03 -0.34 0.30 -0.83 -1.32 0.00 0.00 176.35 174.20 1acx s GLY 91 N 2.12 1.87 -0.16 7.98 0.00 -1.08 -2.40 107.32 115.64 1acx s GLY 91 Ca 0.02 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 42.73 1acx s GLY 91 CO -0.08 -1.62 0.93 0.00 0.00 0.00 0.00 173.10 172.33 1acx s ALA 92 N -2.35 -1.90 0.00 3.20 0.00 -1.22 -2.87 121.76 116.61 1acx s ALA 92 Ca 0.42 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1acx s ALA 92 Cb -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1acx s ALA 92 CO 0.27 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1acx n GLY 93 N 1.06 -0.97 0.00 0.00 0.00 -0.92 -3.26 105.19 101.10 1acx n GLY 93 Ca -0.12 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1acx n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1acx n ASN 94 N 2.21 0.86 -0.02 1.61 2.04 0.01 -2.20 115.26 119.77 1acx n ASN 94 Ca 0.00 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.27 1acx n ASN 94 Cb 0.00 0.00 0.36 0.00 -2.53 0.00 0.00 39.78 37.61 1acx n ASN 94 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1acx n SER 95 N 0.00 0.40 -0.09 0.53 3.41 -1.26 -4.02 113.62 112.59 1acx n SER 95 Ca 0.00 -0.11 -0.16 0.00 -0.26 0.00 0.00 58.87 58.34 1acx n SER 95 Cb 0.00 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1acx n SER 95 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1acx h GLY 96 N 5.00 0.00 -4.75 5.00 0.00 -1.96 -3.48 103.07 102.87 1acx h GLY 96 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1acx h GLY 96 CO 0.00 0.00 -0.25 0.48 0.00 0.00 0.00 176.54 176.77 1acx s LEU 97 N -8.04 0.67 0.06 3.11 0.05 -1.26 -5.05 118.68 108.22 1acx s LEU 97 Ca -0.23 0.36 -0.18 0.00 0.05 0.00 0.00 54.13 54.13 1acx s LEU 97 Cb 0.03 1.34 -0.12 0.00 -2.05 0.00 0.00 46.19 45.39 1acx s LEU 97 CO 0.52 -0.34 1.36 -1.13 -0.55 0.00 0.00 176.35 176.21 1acx h ASN 98 N 4.42 0.53 0.00 1.48 -0.00 -1.83 0.07 115.58 120.25 1acx h ASN 98 Ca -0.28 -0.49 0.00 0.00 -0.00 0.00 0.00 56.30 55.53 1acx h ASN 98 Cb 1.18 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.35 1acx h ASN 98 CO 0.35 0.91 0.00 -0.11 -0.00 0.00 0.00 177.43 178.58 1acx n LEU 99 N -4.43 0.00 -0.94 0.34 0.00 -1.20 -2.19 117.00 108.57 1acx n LEU 99 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.08 1acx n LEU 99 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.79 1acx n LEU 99 CO 0.42 0.00 -0.27 0.61 0.00 0.00 0.00 177.39 178.14 1acx n GLY 100 N -2.00 -2.26 0.00 -3.96 0.00 -1.26 -4.55 105.19 91.17 1acx n GLY 100 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1acx n GLY 100 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1acx n HIS 101 N -3.57 0.00 -3.65 1.61 1.44 -1.26 -3.46 115.22 106.34 1acx n HIS 101 Ca -0.02 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.56 1acx n HIS 101 Cb 0.44 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.47 1acx n HIS 101 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1acx s VAL 102 N -0.15 -0.00 0.00 0.61 0.11 -1.01 -4.93 120.40 115.03 1acx s VAL 102 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1acx s VAL 102 Cb 0.00 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1acx s VAL 102 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1acx n ALA 103 N 2.95 0.00 0.00 1.54 0.00 -1.26 -0.82 120.51 122.91 1acx n ALA 103 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1acx n ALA 103 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1acx n ALA 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1acx n LEU 104 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.81 117.00 110.93 1acx n LEU 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1acx n LEU 104 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1acx n LEU 104 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 177.80 1acx n THR 105 N 0.00 0.00 -1.32 1.47 -1.04 -1.18 -4.79 114.28 107.41 1acx n THR 105 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1acx n THR 105 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1acx n THR 105 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1acx n PHE 106 N -0.38 0.00 -0.07 -1.42 -0.00 -1.26 -4.66 117.46 109.66 1acx n PHE 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1acx n PHE 106 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1acx n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17