#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uff s SER 2 N 0.00 6.65 0.54 1.61 0.15 -1.26 -4.96 113.70 116.43 1uff s SER 2 Ca 0.00 2.02 -0.22 0.00 0.70 0.00 0.00 55.95 58.46 1uff s SER 2 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1uff s SER 2 CO 0.00 -0.97 1.33 -0.94 1.20 0.00 0.00 173.24 173.86 1uff s SER 3 N 3.33 5.35 0.23 5.45 1.04 -1.26 -5.03 113.70 122.82 1uff s SER 3 Ca 0.70 2.70 0.05 0.00 0.48 0.00 0.00 55.95 59.88 1uff s SER 3 Cb -0.30 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.14 1uff s SER 3 CO 0.27 -1.51 -0.05 -0.83 0.98 0.00 0.00 173.24 172.11 1uff s GLY 4 N -1.03 1.55 0.21 7.32 0.00 -1.26 -5.14 107.32 108.96 1uff s GLY 4 Ca 0.71 -1.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 1uff s GLY 4 CO 0.45 -1.71 0.20 -1.35 0.00 0.00 0.00 173.10 170.69 1uff s SER 5 N -3.32 0.12 -0.00 1.64 1.04 -1.26 -4.29 113.70 107.62 1uff s SER 5 Ca 0.26 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.38 1uff s SER 5 Cb 0.04 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 1uff s SER 5 CO 0.08 -0.90 -0.02 -0.24 0.98 0.00 0.00 173.24 173.14 1uff n SER 6 N -0.31 0.25 0.00 7.02 2.88 -0.94 -4.96 113.62 117.56 1uff n SER 6 Ca 0.01 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1uff n SER 6 Cb 0.65 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1uff n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uff n GLY 7 N 2.70 0.76 3.91 0.46 0.00 -1.25 -4.95 105.19 106.82 1uff n GLY 7 Ca -0.01 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 1uff n GLY 7 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uff s TYR 8 N -0.39 3.16 -0.11 1.61 1.51 0.64 -3.93 117.35 119.83 1uff s TYR 8 Ca 0.00 0.70 0.03 0.00 -1.01 0.00 0.00 57.07 56.78 1uff s TYR 8 Cb 0.00 -3.00 -0.00 0.00 -0.11 0.00 0.00 41.96 38.85 1uff s TYR 8 CO 0.00 -1.14 -0.21 0.50 -1.11 0.00 0.00 175.55 173.59 1uff s ARG 9 N -5.20 3.14 -0.09 -0.62 3.52 0.11 0.19 118.95 120.00 1uff s ARG 9 Ca 0.57 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 55.05 1uff s ARG 9 Cb -0.11 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 1uff s ARG 9 CO 0.47 0.16 1.48 0.00 -0.81 0.00 0.00 175.30 176.60 1uff s ALA 10 N 0.42 3.63 -0.08 6.12 0.00 0.50 -0.23 121.76 132.12 1uff s ALA 10 Ca -0.15 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 1uff s ALA 10 Cb -0.17 -3.68 -0.29 0.00 0.00 0.00 0.00 23.12 18.97 1uff s ALA 10 CO 0.07 -1.25 0.82 -0.07 0.00 0.00 0.00 175.76 175.32 1uff h LEU 11 N 9.80 0.32 -8.69 0.00 3.38 -1.78 0.24 115.31 118.58 1uff h LEU 11 Ca -0.34 -0.95 -0.45 0.00 0.09 0.00 0.00 57.88 56.23 1uff h LEU 11 Cb 1.15 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 1uff h LEU 11 CO 0.95 1.30 -0.76 -0.31 0.09 0.00 0.00 178.44 179.71 1uff s TYR 12 N -2.37 1.54 -0.59 1.13 2.02 -1.25 -4.57 117.35 113.25 1uff s TYR 12 Ca -0.16 -0.54 -0.27 0.00 -0.37 0.00 0.00 57.07 55.73 1uff s TYR 12 Cb 0.00 -0.79 0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1uff s TYR 12 CO 0.78 0.21 1.52 -1.25 -1.57 0.00 0.00 175.55 175.24 1uff s PRO 13 N -2.78 3.12 0.60 -1.71 0.04 -1.26 -4.10 135.00 128.90 1uff s PRO 13 Ca 0.12 0.42 -0.06 0.00 0.04 0.00 0.00 61.00 61.51 1uff s PRO 13 Cb -0.05 -4.20 0.01 0.00 0.04 0.00 0.00 34.50 30.30 1uff s PRO 13 CO 0.04 -2.17 0.92 0.12 0.04 0.00 0.00 177.00 175.95 1uff s PHE 14 N 6.78 3.25 -0.12 0.56 5.36 -0.99 -4.92 117.98 127.91 1uff s PHE 14 Ca 0.54 0.67 -0.03 0.00 -0.96 0.00 0.00 56.93 57.15 1uff s PHE 14 Cb -0.11 -2.77 0.04 0.00 -0.34 0.00 0.00 43.02 39.84 1uff s PHE 14 CO 0.22 -0.87 0.04 -2.00 -1.46 0.00 0.00 175.22 171.16 1uff s GLU 15 N -5.02 0.36 -0.18 10.12 2.12 -1.26 -3.95 118.70 120.89 1uff s GLU 15 Ca 0.54 -0.01 -0.39 0.00 0.36 0.00 0.00 54.97 55.47 1uff s GLU 15 Cb -0.11 -1.36 -0.15 0.00 0.26 0.00 0.00 34.13 32.77 1uff s GLU 15 CO 0.46 -0.48 1.69 0.00 -0.54 0.00 0.00 175.26 176.39 1uff n ALA 16 N 5.18 -0.14 -0.98 6.30 0.00 -1.22 -4.80 120.51 124.86 1uff n ALA 16 Ca -0.07 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1uff n ALA 16 Cb 0.49 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1uff n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1uff n ARG 17 N 5.01 1.85 -0.00 0.00 0.63 -1.26 -4.96 116.66 117.93 1uff n ARG 17 Ca 0.24 -1.52 0.00 0.00 -0.92 0.00 0.00 57.85 55.65 1uff n ARG 17 Cb 0.17 -1.68 -0.00 0.00 0.45 0.00 0.00 32.46 31.40 1uff n ARG 17 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1uff n ASN 18 N 0.70 -0.01 0.00 6.15 5.15 -1.26 -5.02 115.26 120.97 1uff n ASN 18 Ca 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1uff n ASN 18 Cb 0.58 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 1uff n ASN 18 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1uff n HIS 19 N -2.03 -0.13 -1.14 1.20 -0.00 -1.26 -3.64 115.22 108.22 1uff n HIS 19 Ca -0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 1uff n HIS 19 Cb 0.00 0.03 -0.03 0.00 -0.12 0.00 0.00 29.99 29.87 1uff n HIS 19 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1uff n ASP 20 N -0.30 6.25 -4.89 0.26 -0.08 -1.26 -4.92 116.55 111.60 1uff n ASP 20 Ca 0.00 -3.01 -0.29 0.00 -1.51 0.00 0.00 54.79 49.98 1uff n ASP 20 Cb 0.00 -1.18 -0.03 0.00 2.34 0.00 0.00 41.12 42.25 1uff n ASP 20 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1uff s GLU 21 N -1.31 3.70 0.22 -0.67 2.02 -1.24 -1.08 118.70 120.34 1uff s GLU 21 Ca 0.46 0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.68 1uff s GLU 21 Cb 0.30 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1uff s GLU 21 CO -0.10 0.09 0.38 1.41 0.02 0.00 0.00 175.26 177.06 1uff s MET 22 N -3.71 3.47 -0.06 1.61 -2.45 -1.16 -4.43 119.30 112.56 1uff s MET 22 Ca 0.47 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 54.37 1uff s MET 22 Cb -0.10 -2.86 0.02 0.00 1.25 0.00 0.00 34.83 33.14 1uff s MET 22 CO 0.31 0.41 -0.04 -1.54 1.05 0.00 0.00 175.02 175.21 1uff s SER 23 N -3.58 1.30 0.19 1.11 1.04 -1.26 -3.37 113.70 109.13 1uff s SER 23 Ca 0.36 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 1uff s SER 23 Cb -0.10 -0.50 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 1uff s SER 23 CO 0.30 -0.10 0.31 0.72 0.98 0.00 0.00 173.24 175.45 1uff s PHE 24 N 1.30 0.53 0.23 5.02 -0.71 -1.25 -4.92 117.98 118.16 1uff s PHE 24 Ca -0.05 -0.86 0.08 0.00 -1.04 0.00 0.00 56.93 55.05 1uff s PHE 24 Cb -0.14 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 1uff s PHE 24 CO -0.02 -0.78 0.07 -0.80 -1.34 0.00 0.00 175.22 172.35 1uff s ASN 25 N -3.01 4.98 0.27 1.98 -0.87 -1.26 -2.34 114.94 114.68 1uff s ASN 25 Ca 0.22 -0.41 -0.30 0.00 -1.57 0.00 0.00 52.86 50.80 1uff s ASN 25 Cb 0.03 -1.11 -0.10 0.00 -0.02 0.00 0.00 41.25 40.05 1uff s ASN 25 CO 0.04 0.02 1.34 -0.94 -2.57 0.00 0.00 177.10 175.00 1uff s SER 26 N -3.46 6.79 0.00 -1.22 1.04 -1.26 -3.22 113.70 112.37 1uff s SER 26 Ca 0.31 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1uff s SER 26 Cb -0.08 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1uff s SER 26 CO 0.21 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1uff n GLY 27 N 1.69 1.18 3.43 7.32 0.00 0.83 -4.93 105.19 114.72 1uff n GLY 27 Ca 0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1uff n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uff s ASP 28 N -2.49 3.15 -0.33 1.61 -1.08 -1.20 -4.93 116.67 111.40 1uff s ASP 28 Ca 0.00 -1.08 -0.12 0.00 -0.52 0.00 0.00 52.55 50.83 1uff s ASP 28 Cb 0.00 -0.23 -0.02 0.00 -1.46 0.00 0.00 42.92 41.21 1uff s ASP 28 CO 0.00 -0.13 0.23 -0.63 0.52 0.00 0.00 175.17 175.16 1uff s ILE 29 N -2.76 5.20 -0.46 4.11 -1.09 -1.26 -0.37 121.20 124.56 1uff s ILE 29 Ca 0.28 -0.23 -0.17 0.00 -2.23 0.00 0.00 60.65 58.30 1uff s ILE 29 Cb -0.01 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1uff s ILE 29 CO 0.12 0.01 0.47 -0.63 -1.23 0.00 0.00 174.94 173.68 1uff s ILE 30 N 1.71 5.09 -0.86 2.92 -1.09 0.50 -4.89 121.20 124.57 1uff s ILE 30 Ca 0.06 -0.66 -0.23 0.00 -2.23 0.00 0.00 60.65 57.59 1uff s ILE 30 Cb -0.17 -4.14 -0.15 0.00 -1.58 0.00 0.00 42.46 36.42 1uff s ILE 30 CO 0.10 -0.58 1.91 0.00 -1.23 0.00 0.00 174.94 175.14 1uff n GLN 31 N 5.61 1.42 -2.20 2.79 1.13 -1.24 -0.26 117.38 124.62 1uff n GLN 31 Ca -0.09 -2.00 -0.42 0.00 -1.94 0.00 0.00 57.00 52.55 1uff n GLN 31 Cb 0.45 -3.17 -0.03 0.00 0.11 0.00 0.00 30.24 27.60 1uff n GLN 31 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1uff s VAL 32 N 7.31 3.56 -0.89 5.09 1.01 -1.26 -1.61 120.40 133.60 1uff s VAL 32 Ca 0.62 1.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.49 1uff s VAL 32 Cb 0.09 -3.66 0.21 0.00 0.00 0.00 0.00 36.38 33.03 1uff s VAL 32 CO 0.14 0.03 0.88 -0.62 0.00 0.00 0.00 175.10 175.54 1uff s ASP 33 N 1.59 6.84 0.62 3.32 2.15 -0.52 -2.22 116.67 128.45 1uff s ASP 33 Ca 0.64 -2.75 0.32 0.00 0.43 0.00 0.00 52.55 51.20 1uff s ASP 33 Cb -0.34 -2.24 1.77 0.00 -0.30 0.00 0.00 42.92 41.81 1uff s ASP 33 CO 0.28 -0.60 1.99 -0.33 -0.17 0.00 0.00 175.17 176.34 1uff h GLU 34 N 7.74 0.00 0.56 4.34 5.08 -1.81 -1.57 114.58 128.92 1uff h GLU 34 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1uff h GLU 34 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1uff h GLU 34 CO 0.85 0.00 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.28 1uff h LYS 35 N 0.00 -0.84 -6.66 2.33 3.64 -1.89 -3.41 116.57 109.74 1uff h LYS 35 Ca 0.00 0.06 -0.52 0.00 -1.27 0.00 0.00 60.65 58.91 1uff h LYS 35 Cb 0.42 0.19 0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1uff h LYS 35 CO 0.00 -0.56 0.86 0.99 -2.27 0.00 0.00 179.45 178.47 1uff s THR 36 N -6.02 2.54 0.16 1.00 2.01 -0.59 -5.01 115.64 109.72 1uff s THR 36 Ca -0.17 0.40 0.08 0.00 0.31 0.00 0.00 61.69 62.31 1uff s THR 36 Cb 0.04 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1uff s THR 36 CO 0.62 0.04 -0.17 0.54 -0.69 0.00 0.00 174.62 174.96 1uff s VAL 37 N 0.78 1.70 0.00 3.82 0.11 -1.26 -4.80 120.40 120.75 1uff s VAL 37 Ca 0.67 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 1uff s VAL 37 Cb -0.44 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.63 1uff s VAL 37 CO 0.35 -0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1uff n GLY 38 N 0.33 -1.64 3.33 6.54 0.00 -1.26 -5.15 105.19 107.35 1uff n GLY 38 Ca -0.14 0.78 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 1uff n GLY 38 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uff n GLU 39 N 0.00 -0.41 0.00 1.61 4.71 -1.26 -4.99 120.64 120.29 1uff n GLU 39 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1uff n GLU 39 Cb 0.00 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 1uff n GLU 39 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1uff n PRO 40 N -1.10 0.00 -1.63 3.49 -0.04 -1.26 -4.36 135.00 130.11 1uff n PRO 40 Ca 0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 1uff n PRO 40 Cb 0.55 -0.37 -0.02 0.00 -0.04 0.00 0.00 33.50 33.62 1uff n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uff n GLY 41 N 2.00 4.68 3.10 0.55 0.00 -1.26 -4.84 105.19 109.42 1uff n GLY 41 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 1uff n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uff s TRP 42 N 0.42 0.14 -0.14 1.61 0.52 -1.26 -4.29 118.94 115.95 1uff s TRP 42 Ca 0.62 -0.36 -0.02 0.00 0.02 0.00 0.00 56.10 56.36 1uff s TRP 42 Cb 0.19 -0.11 0.04 0.00 -1.15 0.00 0.00 33.47 32.45 1uff s TRP 42 CO -0.08 -0.32 -0.00 -0.51 0.02 0.00 0.00 176.95 176.06 1uff s LEU 43 N -1.78 1.08 0.05 2.99 1.43 -1.03 -4.84 118.68 116.59 1uff s LEU 43 Ca -0.10 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 1uff s LEU 43 Cb -0.05 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.49 1uff s LEU 43 CO -0.02 -0.23 0.78 -0.47 0.23 0.00 0.00 176.35 176.64 1uff s TYR 44 N 1.84 3.74 0.19 0.29 5.04 -1.26 -3.42 117.35 123.77 1uff s TYR 44 Ca 0.02 1.49 -0.06 0.00 -2.44 0.00 0.00 57.07 56.08 1uff s TYR 44 Cb -0.15 -2.83 -0.02 0.00 0.35 0.00 0.00 41.96 39.31 1uff s TYR 44 CO -0.07 0.27 0.24 0.20 -1.34 0.00 0.00 175.55 174.85 1uff s GLY 45 N -0.07 0.89 -0.19 8.97 0.00 -1.24 -1.43 107.32 114.26 1uff s GLY 45 Ca 0.39 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.86 1uff s GLY 45 CO 0.23 -1.06 -0.10 -0.56 0.00 0.00 0.00 173.10 171.62 1uff s SER 46 N -3.06 3.20 0.43 1.64 0.01 -0.63 -3.76 113.70 111.53 1uff s SER 46 Ca 0.27 -0.80 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1uff s SER 46 Cb 0.04 -1.16 -0.06 0.00 0.21 0.00 0.00 66.02 65.05 1uff s SER 46 CO 0.06 -0.14 0.01 0.12 0.41 0.00 0.00 173.24 173.70 1uff s PHE 47 N 1.46 2.33 -0.38 2.43 5.36 0.33 -3.63 117.98 125.87 1uff s PHE 47 Ca -0.00 -0.76 -0.34 0.00 -0.96 0.00 0.00 56.93 54.87 1uff s PHE 47 Cb -0.16 -1.71 -0.15 0.00 -0.34 0.00 0.00 43.02 40.66 1uff s PHE 47 CO -0.08 0.37 1.60 1.04 -1.46 0.00 0.00 175.22 176.69 1uff n GLN 48 N -1.03 0.00 -2.78 10.12 6.02 -1.26 0.19 117.38 128.64 1uff n GLN 48 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 1uff n GLN 48 Cb 0.67 -1.15 -0.02 0.00 1.02 0.00 0.00 30.24 30.76 1uff n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uff n GLY 49 N 5.53 -0.36 2.73 1.08 0.00 -1.26 -4.83 105.19 108.09 1uff n GLY 49 Ca 0.41 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 1uff n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uff s ASN 50 N -2.04 2.38 -0.19 1.61 0.01 0.51 -5.08 114.94 112.15 1uff s ASN 50 Ca 0.25 -0.54 -0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1uff s ASN 50 Cb -0.15 -0.50 0.06 0.00 0.41 0.00 0.00 41.25 41.07 1uff s ASN 50 CO 0.31 -0.27 0.06 -0.36 -1.51 0.00 0.00 177.10 175.33 1uff s PHE 51 N 1.93 0.67 0.00 2.20 0.08 -1.26 0.12 117.98 121.72 1uff s PHE 51 Ca 0.01 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.40 1uff s PHE 51 Cb -0.15 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1uff s PHE 51 CO -0.07 -0.59 0.00 0.41 -0.10 0.00 0.00 175.22 174.87 1uff n GLY 52 N 5.15 1.71 3.74 4.36 0.00 -1.25 -4.71 105.19 114.19 1uff n GLY 52 Ca -0.08 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1uff n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uff s TRP 53 N -7.63 3.32 0.12 1.61 0.52 -0.24 -3.60 118.94 113.04 1uff s TRP 53 Ca 0.00 0.29 0.02 0.00 0.02 0.00 0.00 56.10 56.43 1uff s TRP 53 Cb 0.00 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1uff s TRP 53 CO 0.00 0.53 -0.05 -0.59 0.02 0.00 0.00 176.95 176.86 1uff s PHE 54 N -0.81 1.01 0.07 -1.98 -0.12 -1.22 -2.98 117.98 111.95 1uff s PHE 54 Ca 0.13 -0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 55.78 1uff s PHE 54 Cb -0.12 -0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 41.65 1uff s PHE 54 CO 0.03 -0.14 1.16 -1.25 -0.05 0.00 0.00 175.22 174.97 1uff s PRO 55 N -3.84 4.47 0.58 1.99 0.04 -1.26 -2.45 135.00 134.52 1uff s PRO 55 Ca 0.15 1.72 0.38 0.00 0.04 0.00 0.00 61.00 63.29 1uff s PRO 55 Cb 0.05 -3.35 1.84 0.00 0.04 0.00 0.00 34.50 33.08 1uff s PRO 55 CO -0.02 -0.18 2.14 0.00 0.04 0.00 0.00 177.00 178.98 1uff n ASN 57 N -3.00 6.09 0.00 0.00 0.23 -1.26 -3.48 115.26 113.84 1uff n ASN 57 Ca -0.01 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.24 1uff n ASN 57 Cb 0.18 -1.35 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 1uff n ASN 57 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1uff n TYR 58 N 1.91 -0.70 -3.23 -2.53 4.02 -1.12 -5.08 117.16 110.43 1uff n TYR 58 Ca 0.49 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 58.11 1uff n TYR 58 Cb 0.70 0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 40.14 1uff n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1uff s VAL 59 N -1.29 5.02 0.03 -0.72 -7.23 -1.23 -2.23 120.40 112.76 1uff s VAL 59 Ca 0.00 -0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.20 1uff s VAL 59 Cb 0.00 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 1uff s VAL 59 CO 0.00 -0.48 -0.25 -1.83 -0.31 0.00 0.00 175.10 172.23 1uff s GLU 60 N -3.96 1.81 -0.42 4.82 -1.05 0.69 -4.89 118.70 115.70 1uff s GLU 60 Ca 0.43 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.95 1uff s GLU 60 Cb -0.10 -1.90 0.02 0.00 -0.44 0.00 0.00 34.13 31.71 1uff s GLU 60 CO 0.34 0.50 1.09 0.21 0.95 0.00 0.00 175.26 178.35 1uff s LYS 61 N -1.03 3.84 0.68 -4.83 2.20 -1.26 0.05 119.74 119.38 1uff s LYS 61 Ca 0.10 0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 56.32 1uff s LYS 61 Cb -0.10 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1uff s LYS 61 CO 0.01 -1.19 1.06 -1.64 -0.36 0.00 0.00 175.35 173.23 1uff s MET 62 N 4.09 3.12 0.65 4.03 -1.94 -1.25 -4.95 119.30 123.05 1uff s MET 62 Ca 0.46 0.74 -0.13 0.00 -1.71 0.00 0.00 55.69 55.06 1uff s MET 62 Cb -0.09 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 34.71 1uff s MET 62 CO 0.25 -0.92 1.06 -1.25 -0.01 0.00 0.00 175.02 174.15 1uff s PRO 63 N -5.17 3.11 -1.25 2.03 0.04 -1.26 -4.92 135.00 127.58 1uff s PRO 63 Ca 0.57 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.44 1uff s PRO 63 Cb -0.12 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1uff s PRO 63 CO 0.54 -0.97 1.84 -1.13 0.04 0.00 0.00 177.00 177.32 1uff n SER 64 N -2.72 4.06 -4.89 6.66 3.41 -1.26 -4.94 113.62 113.95 1uff n SER 64 Ca 0.08 -2.82 -0.29 0.00 -0.26 0.00 0.00 58.87 55.58 1uff n SER 64 Cb 0.53 -1.73 -0.03 0.00 -0.26 0.00 0.00 64.21 62.72 1uff n SER 64 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uff s SER 65 N 5.16 6.47 -0.17 4.04 0.01 -1.26 -4.74 113.70 123.22 1uff s SER 65 Ca 0.60 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.74 1uff s SER 65 Cb 0.03 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 64.04 1uff s SER 65 CO 0.10 -0.30 0.07 1.21 0.41 0.00 0.00 173.24 174.73 1uff n GLU 66 N -1.16 -2.64 -3.90 12.44 2.13 -1.26 -5.05 120.64 121.21 1uff n GLU 66 Ca 0.00 2.21 -0.27 0.00 0.66 0.00 0.00 57.16 59.77 1uff n GLU 66 Cb 0.54 -3.80 -0.17 0.00 0.27 0.00 0.00 31.44 28.28 1uff n GLU 66 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1uff s ASN 67 N -0.79 2.22 -0.36 4.31 -0.87 -1.26 -5.04 114.94 113.14 1uff s ASN 67 Ca -0.09 -0.32 -0.05 0.00 -1.57 0.00 0.00 52.86 50.83 1uff s ASN 67 Cb 0.01 -0.84 0.20 0.00 -0.02 0.00 0.00 41.25 40.59 1uff s ASN 67 CO 0.52 -0.12 1.01 -0.70 -2.57 0.00 0.00 177.10 175.24 1uff s GLU 68 N 1.71 0.33 -0.18 -0.60 2.12 -1.26 -5.13 118.70 115.68 1uff s GLU 68 Ca 0.05 -0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.11 1uff s GLU 68 Cb -0.13 0.00 0.06 0.00 0.26 0.00 0.00 34.13 34.32 1uff s GLU 68 CO -0.08 -0.43 0.03 -1.59 -0.54 0.00 0.00 175.26 172.66 1uff s LYS 69 N 1.38 0.62 -0.45 4.30 -2.85 -1.26 -5.02 119.74 116.46 1uff s LYS 69 Ca 0.20 -0.35 0.03 0.00 -1.00 0.00 0.00 55.97 54.86 1uff s LYS 69 Cb 0.07 -1.98 0.24 0.00 -2.06 0.00 0.00 37.83 34.09 1uff s LYS 69 CO -0.11 -0.61 0.96 0.00 0.10 0.00 0.00 175.35 175.69 1uff n ALA 70 N 5.07 -2.22 -2.78 0.59 0.00 -1.26 -5.03 120.51 114.89 1uff n ALA 70 Ca -0.09 -0.94 -0.25 0.00 0.00 0.00 0.00 53.44 52.16 1uff n ALA 70 Cb 0.48 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 1uff n ALA 70 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1uff n VAL 71 N 1.95 2.39 -4.59 0.00 0.24 -1.26 -5.05 118.33 112.01 1uff n VAL 71 Ca 0.09 -5.09 -0.31 0.00 -2.04 0.00 0.00 64.34 56.99 1uff n VAL 71 Cb 0.64 -1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 31.78 1uff n VAL 71 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1uff s SER 72 N -3.38 4.15 -0.25 -1.34 0.01 -1.26 -5.08 113.70 106.55 1uff s SER 72 Ca 0.46 -0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.14 1uff s SER 72 Cb 0.34 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 1uff s SER 72 CO -0.14 0.27 1.32 -2.16 0.41 0.00 0.00 173.24 172.94 1uff s PRO 73 N -1.40 4.01 0.39 12.44 0.04 -1.26 -4.98 135.00 144.25 1uff s PRO 73 Ca 0.16 1.43 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 1uff s PRO 73 Cb -0.11 -3.85 -0.10 0.00 0.04 0.00 0.00 34.50 30.48 1uff s PRO 73 CO 0.06 -0.99 1.40 0.15 0.04 0.00 0.00 177.00 177.66 1uff s LYS 74 N 3.98 4.02 1.04 4.56 1.02 -1.26 -4.72 119.74 128.38 1uff s LYS 74 Ca 0.57 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.95 1uff s LYS 74 Cb -0.19 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1uff s LYS 74 CO 0.21 -0.54 0.00 1.63 -0.92 0.00 0.00 175.35 175.73 1uff n LYS 75 N 0.29 -0.42 -1.31 1.68 5.02 -1.26 -5.02 118.16 117.14 1uff n LYS 75 Ca 0.02 0.28 0.18 0.00 -2.02 0.00 0.00 58.31 56.77 1uff n LYS 75 Cb 0.41 -0.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.86 1uff n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uff n ALA 76 N -0.50 -3.58 -1.09 7.82 0.00 -1.26 -4.74 120.51 117.15 1uff n ALA 76 Ca 0.00 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 1uff n ALA 76 Cb 0.10 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.38 1uff n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uff n LEU 77 N 0.00 -2.51 -4.05 0.00 4.32 -1.26 -5.01 117.00 108.49 1uff n LEU 77 Ca 0.01 0.43 -0.09 0.00 -0.02 0.00 0.00 56.01 56.34 1uff n LEU 77 Cb 0.60 -0.99 -0.11 0.00 -1.62 0.00 0.00 43.42 41.30 1uff n LEU 77 CO 0.01 -4.51 -0.37 -0.76 -1.22 0.00 0.00 177.39 170.55 1uff s LEU 78 N 3.39 2.36 -0.33 2.23 1.02 -1.26 -4.98 118.68 121.12 1uff s LEU 78 Ca 0.54 -0.74 -0.29 0.00 0.02 0.00 0.00 54.13 53.66 1uff s LEU 78 Cb -0.30 0.09 0.00 0.00 0.02 0.00 0.00 46.19 46.00 1uff s LEU 78 CO 0.69 -0.42 1.37 -2.16 0.02 0.00 0.00 176.35 175.85 1uff s PRO 79 N -2.61 3.80 0.00 1.29 0.04 -1.26 -5.01 135.00 131.24 1uff s PRO 79 Ca -0.04 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1uff s PRO 79 Cb -0.02 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1uff s PRO 79 CO -0.05 -1.28 0.00 -0.35 0.04 0.00 0.00 177.00 175.37 1uff n PRO 80 N 7.58 0.19 -4.31 0.56 -0.04 -1.26 -5.09 135.00 132.64 1uff n PRO 80 Ca 0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1uff n PRO 80 Cb 0.47 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.85 1uff n PRO 80 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1uff s THR 81 N -0.54 3.13 0.75 0.52 2.01 -1.26 -5.14 115.64 115.11 1uff s THR 81 Ca 0.00 -1.98 -0.04 0.00 0.31 0.00 0.00 61.69 59.98 1uff s THR 81 Cb 0.00 -2.77 0.13 0.00 0.01 0.00 0.00 72.50 69.87 1uff s THR 81 CO 0.00 -0.33 1.04 0.68 -0.69 0.00 0.00 174.62 175.32 1uff s VAL 82 N -2.39 2.16 0.38 3.82 -7.23 -1.26 -5.12 120.40 110.76 1uff s VAL 82 Ca 0.32 -0.46 0.04 0.00 -1.81 0.00 0.00 61.98 60.08 1uff s VAL 82 Cb -0.05 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1uff s VAL 82 CO 0.19 0.00 0.16 -0.55 -0.31 0.00 0.00 175.10 174.59 1uff s SER 83 N -4.72 2.43 -0.29 4.85 0.15 -1.26 -5.14 113.70 109.72 1uff s SER 83 Ca 0.66 -1.67 0.02 0.00 0.70 0.00 0.00 55.95 55.66 1uff s SER 83 Cb -0.06 0.49 0.16 0.00 -1.71 0.00 0.00 66.02 64.90 1uff s SER 83 CO 0.45 -0.95 0.39 -0.22 1.20 0.00 0.00 173.24 174.12 1uff s LEU 84 N -3.54 -0.71 0.53 3.45 2.96 -1.26 -5.15 118.68 114.96 1uff s LEU 84 Ca 0.28 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1uff s LEU 84 Cb 0.03 1.03 0.02 0.00 0.50 0.00 0.00 46.19 47.76 1uff s LEU 84 CO 0.17 -0.36 0.77 -0.55 -1.32 0.00 0.00 176.35 175.07 1uff s SER 85 N 2.52 5.53 0.21 3.68 0.15 -1.26 -5.12 113.70 119.41 1uff s SER 85 Ca 0.10 0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.95 1uff s SER 85 Cb -0.13 -1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 62.85 1uff s SER 85 CO -0.30 -0.98 0.30 0.00 1.20 0.00 0.00 173.24 173.46 1uff s ALA 86 N -2.76 0.36 0.33 5.45 0.00 -1.26 -5.18 121.76 118.70 1uff s ALA 86 Ca 0.53 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1uff s ALA 86 Cb -0.10 1.15 -0.00 0.00 0.00 0.00 0.00 23.12 24.16 1uff s ALA 86 CO 0.40 -0.71 0.41 0.25 0.00 0.00 0.00 175.76 176.11 1uff n THR 87 N -0.30 0.00 0.00 0.00 -2.24 -1.26 -5.18 114.28 105.30 1uff n THR 87 Ca -0.01 -1.86 0.00 0.00 -2.27 0.00 0.00 64.05 59.90 1uff n THR 87 Cb 0.64 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1uff n THR 87 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1uff n SER 88 N -1.68 0.00 -3.47 3.42 2.88 -1.26 -5.19 113.62 108.32 1uff n SER 88 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 1uff n SER 88 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1uff n SER 88 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uff s GLY 89 N 0.00 -0.57 0.00 0.46 0.00 -1.26 -5.18 107.32 100.77 1uff s GLY 89 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1uff s GLY 89 CO 0.00 0.48 0.00 -1.55 0.00 0.00 0.00 173.10 172.03 1uff n PRO 90 N 0.10 -0.39 0.10 2.90 -0.04 -1.26 -5.06 135.00 131.35 1uff n PRO 90 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1uff n PRO 90 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1uff n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uff n SER 91 N -2.79 0.20 -1.11 3.54 2.88 -1.26 -5.16 113.62 109.92 1uff n SER 91 Ca 0.00 0.35 0.14 0.00 -1.33 0.00 0.00 58.87 58.02 1uff n SER 91 Cb 0.00 0.16 -0.07 0.00 -0.75 0.00 0.00 64.21 63.55 1uff n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uff n SER 92 N -3.41 -6.12 0.00 -3.46 2.88 -1.26 -5.39 113.62 96.87 1uff n SER 92 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1uff n SER 92 Cb 0.02 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 1uff n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42