#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 -1.41 -0.40 1.61 1.04 -1.26 -5.09 113.70 108.19 1uff s SER 2 Ca 0.00 -0.79 0.08 0.00 0.48 0.00 0.00 55.95 55.72 1uff s SER 2 Cb 0.00 1.81 0.18 0.00 0.10 0.00 0.00 66.02 68.11 1uff s SER 2 CO 0.00 -0.15 0.62 -0.44 0.98 0.00 0.00 173.24 174.25 1uff s SER 3 N 1.78 -1.49 0.00 7.02 0.01 -1.26 -4.98 113.70 114.79 1uff s SER 3 Ca 0.17 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1uff s SER 3 Cb -0.03 1.94 0.00 0.00 0.21 0.00 0.00 66.02 68.14 1uff s SER 3 CO -0.08 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1uff n GLY 4 N 4.46 -2.58 0.00 3.44 0.00 -1.26 -4.97 105.19 104.30 1uff n GLY 4 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1uff n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uff n SER 5 N 0.00 0.75 -3.58 1.61 7.64 -1.05 -4.94 113.62 114.06 1uff n SER 5 Ca 0.00 -1.32 -0.16 0.00 1.01 0.00 0.00 58.87 58.40 1uff n SER 5 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1uff n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uff s SER 6 N -0.32 -0.67 -0.13 6.43 0.01 -1.18 -4.98 113.70 112.87 1uff s SER 6 Ca 0.00 0.99 0.01 0.00 1.31 0.00 0.00 55.95 58.27 1uff s SER 6 Cb 0.00 0.91 -0.00 0.00 0.21 0.00 0.00 66.02 67.14 1uff s SER 6 CO 0.00 -0.44 -0.18 -0.83 0.41 0.00 0.00 173.24 172.20 1uff s GLY 7 N -0.52 1.44 0.08 3.44 0.00 -1.26 0.56 107.32 111.07 1uff s GLY 7 Ca -0.06 -0.99 0.09 0.00 0.00 0.00 0.00 44.72 43.76 1uff s GLY 7 CO 0.06 -0.13 -0.21 -0.19 0.00 0.00 0.00 173.10 172.63 1uff s TYR 8 N 0.57 2.46 -0.17 1.90 1.51 0.19 -4.20 117.35 119.61 1uff s TYR 8 Ca -0.10 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 55.57 1uff s TYR 8 Cb -0.16 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1uff s TYR 8 CO 0.04 0.29 0.10 0.50 -1.11 0.00 0.00 175.55 175.37 1uff s ARG 9 N -1.75 3.88 -0.14 -0.62 3.52 -1.08 0.19 118.95 122.95 1uff s ARG 9 Ca 0.15 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 1uff s ARG 9 Cb -0.10 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1uff s ARG 9 CO 0.06 0.42 1.29 0.00 -0.81 0.00 0.00 175.30 176.25 1uff s ALA 10 N -0.00 3.63 -0.02 6.12 0.00 -1.05 -0.43 121.76 130.02 1uff s ALA 10 Ca 0.08 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 1uff s ALA 10 Cb -0.12 -3.61 -0.19 0.00 0.00 0.00 0.00 23.12 19.20 1uff s ALA 10 CO 0.00 -1.12 1.21 -0.07 0.00 0.00 0.00 175.76 175.78 1uff h LEU 11 N 9.49 -0.08 -9.00 0.00 3.38 -1.65 -2.09 115.31 115.36 1uff h LEU 11 Ca -0.29 -0.42 -0.47 0.00 0.09 0.00 0.00 57.88 56.80 1uff h LEU 11 Cb 1.12 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1uff h LEU 11 CO 0.95 0.39 -0.71 -0.31 0.09 0.00 0.00 178.44 178.86 1uff s TYR 12 N -4.21 1.82 0.02 1.13 2.02 -1.26 -4.61 117.35 112.26 1uff s TYR 12 Ca -0.15 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 55.61 1uff s TYR 12 Cb 0.02 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.59 1uff s TYR 12 CO 0.63 0.32 1.18 -1.25 -1.57 0.00 0.00 175.55 174.85 1uff s PRO 13 N -3.69 4.42 0.15 -1.71 0.04 -1.26 -4.09 135.00 128.86 1uff s PRO 13 Ca 0.26 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.09 1uff s PRO 13 Cb 0.01 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1uff s PRO 13 CO 0.09 -0.30 -0.17 0.12 0.04 0.00 0.00 177.00 176.78 1uff s PHE 14 N 1.45 1.71 0.11 0.56 2.19 -0.43 -4.95 117.98 118.62 1uff s PHE 14 Ca 0.57 -0.49 0.08 0.00 0.33 0.00 0.00 56.93 57.42 1uff s PHE 14 Cb -0.27 -0.86 -0.04 0.00 -1.31 0.00 0.00 43.02 40.54 1uff s PHE 14 CO 0.27 0.28 -0.20 -1.21 1.83 0.00 0.00 175.22 176.19 1uff s GLU 15 N -2.74 1.11 -0.41 10.12 8.01 -1.26 -2.27 118.70 131.26 1uff s GLU 15 Ca 0.14 -1.18 -0.28 0.00 0.01 0.00 0.00 54.97 53.66 1uff s GLU 15 Cb -0.06 -1.32 -0.02 0.00 -4.31 0.00 0.00 34.13 28.43 1uff s GLU 15 CO 0.06 0.30 1.84 0.00 0.01 0.00 0.00 175.26 177.46 1uff s ALA 16 N -1.31 2.62 0.11 5.21 0.00 -1.25 -4.83 121.76 122.32 1uff s ALA 16 Ca 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 1uff s ALA 16 Cb -0.09 -4.11 -0.14 0.00 0.00 0.00 0.00 23.12 18.78 1uff s ALA 16 CO 0.04 -3.06 1.28 0.00 0.00 0.00 0.00 175.76 174.02 1uff h ARG 17 N 13.73 0.58 0.00 0.00 2.47 -1.92 -3.46 114.38 125.77 1uff h ARG 17 Ca -0.31 -0.58 -0.01 0.00 -1.26 0.00 0.00 59.98 57.81 1uff h ARG 17 Cb 1.17 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 1uff h ARG 17 CO 1.09 1.20 -0.00 0.09 0.56 0.00 0.00 179.97 182.91 1uff n ASN 18 N -3.83 0.17 -2.29 7.04 3.02 -1.26 -5.01 115.26 113.11 1uff n ASN 18 Ca -0.08 -1.05 -0.33 0.00 -0.03 0.00 0.00 54.58 53.09 1uff n ASN 18 Cb 0.83 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 40.07 1uff n ASN 18 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1uff n HIS 19 N -0.98 3.18 -2.11 3.10 -0.00 -1.26 -4.11 115.22 113.04 1uff n HIS 19 Ca 0.00 -2.90 -0.03 0.00 0.46 0.00 0.00 57.72 55.25 1uff n HIS 19 Cb 0.02 -1.34 0.01 0.00 -0.12 0.00 0.00 29.99 28.55 1uff n HIS 19 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1uff n ASP 20 N -0.92 -0.68 -4.66 0.26 5.68 -1.26 -5.15 116.55 109.82 1uff n ASP 20 Ca 0.61 -1.37 -0.26 0.00 -0.50 0.00 0.00 54.79 53.27 1uff n ASP 20 Cb 0.74 0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 40.89 1uff n ASP 20 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1uff s GLU 21 N 0.03 2.06 0.02 0.11 2.02 -1.26 -3.22 118.70 118.47 1uff s GLU 21 Ca 0.02 -1.95 0.02 0.00 0.02 0.00 0.00 54.97 53.09 1uff s GLU 21 Cb 0.10 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 1uff s GLU 21 CO -0.03 -0.03 -0.01 1.41 0.02 0.00 0.00 175.26 176.61 1uff s MET 22 N -3.77 2.69 -0.25 1.61 -2.45 -1.26 -4.38 119.30 111.49 1uff s MET 22 Ca 0.37 -0.68 0.01 0.00 -1.25 0.00 0.00 55.69 54.14 1uff s MET 22 Cb 0.06 -2.61 0.04 0.00 1.25 0.00 0.00 34.83 33.57 1uff s MET 22 CO 0.20 0.60 -0.10 -1.12 1.05 0.00 0.00 175.02 175.65 1uff s SER 23 N -1.67 4.23 0.28 1.11 0.01 -1.26 -3.82 113.70 112.58 1uff s SER 23 Ca 0.20 -1.10 0.03 0.00 1.31 0.00 0.00 55.95 56.40 1uff s SER 23 Cb -0.11 -1.59 -0.06 0.00 0.21 0.00 0.00 66.02 64.47 1uff s SER 23 CO 0.11 -0.15 0.05 0.72 0.41 0.00 0.00 173.24 174.38 1uff s PHE 24 N 1.22 1.72 0.08 2.43 -0.12 -0.96 -5.00 117.98 117.35 1uff s PHE 24 Ca -0.03 -1.01 0.09 0.00 -0.05 0.00 0.00 56.93 55.93 1uff s PHE 24 Cb -0.18 -1.06 -0.03 0.00 -0.63 0.00 0.00 43.02 41.12 1uff s PHE 24 CO -0.06 -0.10 -0.24 -0.80 -0.05 0.00 0.00 175.22 173.97 1uff s ASN 25 N -3.38 2.90 0.23 1.98 -0.87 -1.26 -1.31 114.94 113.22 1uff s ASN 25 Ca 0.34 -0.63 -0.31 0.00 -1.57 0.00 0.00 52.86 50.69 1uff s ASN 25 Cb 0.07 -0.22 -0.15 0.00 -0.02 0.00 0.00 41.25 40.94 1uff s ASN 25 CO 0.13 0.17 1.17 -1.54 -2.57 0.00 0.00 177.10 174.46 1uff n SER 26 N 1.43 1.65 -0.66 -1.22 3.41 -1.26 -3.11 113.62 113.87 1uff n SER 26 Ca -0.18 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 1uff n SER 26 Cb 0.53 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1uff n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uff n GLY 27 N 1.77 0.62 2.86 5.00 0.00 -0.78 -4.96 105.19 109.69 1uff n GLY 27 Ca 0.12 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 1uff n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uff s ASP 28 N -2.64 0.06 -0.10 1.61 1.01 -1.18 -4.99 116.67 110.44 1uff s ASP 28 Ca 0.00 0.21 -0.30 0.00 0.71 0.00 0.00 52.55 53.18 1uff s ASP 28 Cb 0.00 0.10 -0.03 0.00 1.01 0.00 0.00 42.92 44.01 1uff s ASP 28 CO 0.00 -0.15 1.26 -0.63 0.21 0.00 0.00 175.17 175.86 1uff s ILE 29 N 1.27 4.19 -0.27 0.77 -1.09 -1.26 -2.52 121.20 122.29 1uff s ILE 29 Ca -0.08 1.49 -0.05 0.00 -2.23 0.00 0.00 60.65 59.78 1uff s ILE 29 Cb -0.12 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 1uff s ILE 29 CO -0.05 -0.06 0.03 -0.63 -1.23 0.00 0.00 174.94 172.99 1uff s ILE 30 N 2.86 3.60 -1.03 2.92 1.01 0.50 -4.80 121.20 126.26 1uff s ILE 30 Ca 0.57 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 1uff s ILE 30 Cb -0.24 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1uff s ILE 30 CO 0.19 0.16 1.74 -1.10 0.00 0.00 0.00 174.94 175.94 1uff s GLN 31 N 1.45 3.10 0.29 2.79 1.11 -1.13 0.55 119.66 127.82 1uff s GLN 31 Ca 0.02 -0.92 -0.29 0.00 0.01 0.00 0.00 55.36 54.19 1uff s GLN 31 Cb -0.17 -5.25 -0.10 0.00 -1.01 0.00 0.00 33.01 26.48 1uff s GLN 31 CO -0.00 -2.90 1.37 0.08 0.01 0.00 0.00 175.29 173.85 1uff s VAL 32 N 7.64 2.70 -0.55 1.09 1.01 0.19 -0.07 120.40 132.41 1uff s VAL 32 Ca 0.59 0.64 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 1uff s VAL 32 Cb -0.02 -3.41 0.14 0.00 0.00 0.00 0.00 36.38 33.09 1uff s VAL 32 CO -0.01 0.13 0.49 -0.62 0.00 0.00 0.00 175.10 175.09 1uff s ASP 33 N -0.08 6.13 -0.15 3.32 2.15 0.17 -2.52 116.67 125.69 1uff s ASP 33 Ca 0.54 -1.92 -0.05 0.00 0.43 0.00 0.00 52.55 51.55 1uff s ASP 33 Cb -0.41 -2.16 -0.14 0.00 -0.30 0.00 0.00 42.92 39.91 1uff s ASP 33 CO 0.49 -0.79 3.23 -0.62 -0.17 0.00 0.00 175.17 177.31 1uff n GLU 34 N 5.03 2.07 0.02 4.34 1.02 -1.26 -3.59 120.64 128.26 1uff n GLU 34 Ca -0.10 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1uff n GLU 34 Cb 0.41 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1uff n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1uff n LYS 35 N 1.87 0.00 -1.68 3.49 4.81 -1.26 -4.96 118.16 120.43 1uff n LYS 35 Ca 0.42 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.41 1uff n LYS 35 Cb 0.77 -0.03 -0.04 0.00 0.02 0.00 0.00 35.03 35.75 1uff n LYS 35 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1uff n THR 36 N -2.65 0.07 -2.57 3.15 -1.04 -1.24 -4.96 114.28 105.04 1uff n THR 36 Ca 0.00 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 1uff n THR 36 Cb 0.03 -1.69 -0.02 0.00 -1.82 0.00 0.00 70.33 66.83 1uff n THR 36 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1uff s VAL 37 N 1.34 4.73 -2.26 12.58 0.11 -1.26 -4.91 120.40 130.73 1uff s VAL 37 Ca 0.79 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.60 1uff s VAL 37 Cb -0.63 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.45 1uff s VAL 37 CO 0.38 -0.69 0.00 0.61 -3.33 0.00 0.00 175.10 172.06 1uff n GLY 38 N -1.70 -1.22 3.32 6.54 0.00 -1.26 -5.09 105.19 105.78 1uff n GLY 38 Ca 0.04 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 0.19 0.02 1.61 1.02 -1.26 -4.89 120.64 117.33 1uff n GLU 39 Ca 0.00 0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 57.04 1uff n GLU 39 Cb 0.00 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.01 1uff n GLU 39 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1uff h PRO 40 N -0.09 0.69 -2.00 3.49 0.13 -2.03 -3.28 132.00 128.90 1uff h PRO 40 Ca -0.43 -0.67 -0.63 0.00 -0.87 0.00 0.00 66.00 63.40 1uff h PRO 40 Cb 1.41 0.17 -0.22 0.00 0.13 0.00 0.00 31.00 32.49 1uff h PRO 40 CO 0.42 1.26 0.72 0.41 -0.23 0.00 0.00 178.00 180.58 1uff n GLY 41 N 0.92 4.90 3.39 1.56 0.00 -1.26 -4.87 105.19 109.83 1uff n GLY 41 Ca -0.09 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.82 -0.43 -0.05 1.61 0.52 -1.24 -4.19 118.94 112.34 1uff s TRP 42 Ca 0.56 0.54 0.00 0.00 0.02 0.00 0.00 56.10 57.22 1uff s TRP 42 Cb 0.41 0.32 0.02 0.00 -1.15 0.00 0.00 33.47 33.07 1uff s TRP 42 CO -0.31 -0.61 -0.03 -0.51 0.02 0.00 0.00 176.95 175.51 1uff s LEU 43 N -1.78 1.15 -0.21 2.99 1.43 -0.29 -4.80 118.68 117.17 1uff s LEU 43 Ca -0.07 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1uff s LEU 43 Cb -0.01 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.71 1uff s LEU 43 CO 0.01 -0.09 0.11 -0.47 0.23 0.00 0.00 176.35 176.14 1uff s TYR 44 N 1.19 3.31 0.07 0.29 5.04 -1.26 -1.81 117.35 124.18 1uff s TYR 44 Ca -0.07 0.17 -0.04 0.00 -2.44 0.00 0.00 57.07 54.69 1uff s TYR 44 Cb -0.14 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 1uff s TYR 44 CO -0.02 0.15 0.05 0.20 -1.34 0.00 0.00 175.55 174.60 1uff s GLY 45 N 0.61 0.34 -0.26 8.97 0.00 -1.23 0.45 107.32 116.19 1uff s GLY 45 Ca 0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 1uff s GLY 45 CO 0.01 -1.13 -0.01 -0.56 0.00 0.00 0.00 173.10 171.41 1uff s SER 46 N -2.90 4.58 0.44 1.64 0.01 0.90 -3.72 113.70 114.65 1uff s SER 46 Ca 0.07 -0.71 0.06 0.00 1.31 0.00 0.00 55.95 56.68 1uff s SER 46 Cb 0.07 -1.75 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1uff s SER 46 CO -0.10 -0.12 0.21 0.12 0.41 0.00 0.00 173.24 173.75 1uff s PHE 47 N 1.42 2.38 -0.43 2.43 5.36 0.40 -2.86 117.98 126.68 1uff s PHE 47 Ca 0.02 -0.66 -0.31 0.00 -0.96 0.00 0.00 56.93 55.02 1uff s PHE 47 Cb -0.16 -1.93 -0.15 0.00 -0.34 0.00 0.00 43.02 40.44 1uff s PHE 47 CO -0.02 0.07 1.66 1.04 -1.46 0.00 0.00 175.22 176.52 1uff n GLN 48 N -1.34 0.00 -2.83 10.12 6.02 -1.26 0.17 117.38 128.26 1uff n GLN 48 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.81 1uff n GLN 48 Cb 0.65 -1.12 -0.03 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 5.50 -0.34 2.69 1.08 0.00 -1.26 -4.83 105.19 108.04 1uff n GLY 49 Ca 0.42 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.05 1.08 -0.10 1.61 0.01 0.44 -5.11 114.94 110.82 1uff s ASN 50 Ca 0.29 0.05 -0.02 0.00 -0.71 0.00 0.00 52.86 52.48 1uff s ASN 50 Cb -0.17 -0.17 0.04 0.00 0.41 0.00 0.00 41.25 41.35 1uff s ASN 50 CO 0.36 -0.23 0.02 -0.36 -1.51 0.00 0.00 177.10 175.38 1uff s PHE 51 N 2.02 0.66 0.08 2.20 0.08 -1.26 0.15 117.98 121.91 1uff s PHE 51 Ca 0.03 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 1uff s PHE 51 Cb -0.12 -0.82 0.01 0.00 -0.57 0.00 0.00 43.02 41.52 1uff s PHE 51 CO -0.03 -0.39 0.15 0.41 -0.10 0.00 0.00 175.22 175.26 1uff n GLY 52 N 5.15 1.91 3.37 4.36 0.00 -1.24 -4.60 105.19 114.14 1uff n GLY 52 Ca -0.07 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 -7.31 2.93 0.30 1.61 0.52 -1.20 -3.56 118.94 112.24 1uff s TRP 53 Ca 0.03 -0.72 0.10 0.00 0.02 0.00 0.00 56.10 55.53 1uff s TRP 53 Cb -0.01 -2.01 -0.05 0.00 -1.15 0.00 0.00 33.47 30.26 1uff s TRP 53 CO 0.03 -0.35 -0.02 -0.59 0.02 0.00 0.00 176.95 176.03 1uff s PHE 54 N 0.95 2.58 0.17 -1.98 -0.71 -0.75 -4.21 117.98 114.03 1uff s PHE 54 Ca -0.01 -0.32 -0.30 0.00 -1.04 0.00 0.00 56.93 55.26 1uff s PHE 54 Cb -0.15 -1.28 -0.07 0.00 -1.21 0.00 0.00 43.02 40.31 1uff s PHE 54 CO 0.00 0.57 1.12 -1.25 -1.34 0.00 0.00 175.22 174.33 1uff s PRO 55 N -3.67 4.56 -0.95 1.99 0.04 -1.26 -1.13 135.00 134.57 1uff s PRO 55 Ca 0.33 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 1uff s PRO 55 Cb -0.04 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1uff s PRO 55 CO 0.19 0.02 1.48 0.00 0.04 0.00 0.00 177.00 178.73 1uff n ASN 57 N 9.58 0.00 0.16 0.00 6.94 -1.26 -4.95 115.26 125.73 1uff n ASN 57 Ca 0.29 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.98 1uff n ASN 57 Cb 0.50 0.00 0.40 0.00 -2.36 0.00 0.00 39.78 38.32 1uff n ASN 57 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 1uff h TYR 58 N 0.00 0.00 -2.02 -2.53 -1.99 -1.94 -3.45 116.97 105.04 1uff h TYR 58 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 1uff h TYR 58 Cb 0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 1uff h TYR 58 CO 0.00 0.00 -0.27 0.14 -0.00 0.00 0.00 178.16 178.03 1uff s VAL 59 N -3.23 3.91 -0.17 -2.88 -7.23 -1.26 -1.71 120.40 107.82 1uff s VAL 59 Ca 0.07 -0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1uff s VAL 59 Cb 0.10 -3.37 0.06 0.00 0.56 0.00 0.00 36.38 33.72 1uff s VAL 59 CO 0.57 -0.18 0.06 -1.83 -0.31 0.00 0.00 175.10 173.41 1uff s GLU 60 N -4.30 0.38 -0.60 4.82 4.04 0.43 -4.83 118.70 118.64 1uff s GLU 60 Ca 0.47 -0.23 -0.28 0.00 0.04 0.00 0.00 54.97 54.96 1uff s GLU 60 Cb -0.10 -1.90 -0.11 0.00 0.02 0.00 0.00 34.13 32.04 1uff s GLU 60 CO 0.33 -0.63 2.46 1.17 -1.84 0.00 0.00 175.26 176.75 1uff n LYS 61 N 5.16 0.80 -0.88 -4.83 4.81 -1.26 -2.63 118.16 119.33 1uff n LYS 61 Ca -0.08 0.05 -0.33 0.00 -0.87 0.00 0.00 58.31 57.09 1uff n LYS 61 Cb 0.48 -2.81 0.14 0.00 0.02 0.00 0.00 35.03 32.86 1uff n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uff n MET 62 N 8.77 -0.17 -2.36 1.64 0.00 -1.26 -4.89 117.12 118.86 1uff n MET 62 Ca 0.45 0.02 -0.43 0.00 0.00 0.00 0.00 57.70 57.74 1uff n MET 62 Cb 0.37 -2.24 -0.02 0.00 0.00 0.00 0.00 33.22 31.32 1uff n MET 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1uff s PRO 63 N -4.11 3.68 0.00 3.17 0.04 -1.26 -4.72 135.00 131.80 1uff s PRO 63 Ca 0.67 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1uff s PRO 63 Cb -0.25 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1uff s PRO 63 CO 0.58 -1.43 0.00 0.45 0.04 0.00 0.00 177.00 176.64 1uff n SER 64 N 8.46 0.08 -4.69 6.66 2.88 -1.26 -5.05 113.62 120.69 1uff n SER 64 Ca 0.16 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.28 1uff n SER 64 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 1uff n SER 64 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uff s SER 65 N -4.92 7.04 0.00 -3.46 0.01 -1.26 -4.80 113.70 106.31 1uff s SER 65 Ca 0.00 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1uff s SER 65 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1uff s SER 65 CO 0.00 -0.57 0.00 -0.62 0.41 0.00 0.00 173.24 172.46 1uff n GLU 66 N 4.94 0.00 0.00 12.44 -0.58 -1.26 -5.15 120.64 131.03 1uff n GLU 66 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1uff n GLU 66 Cb 0.46 -0.23 0.00 0.00 -0.57 0.00 0.00 31.44 31.10 1uff n GLU 66 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1uff n ASN 67 N -2.09 0.00 -4.49 1.62 5.15 -1.26 -5.11 115.26 109.09 1uff n ASN 67 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1uff n ASN 67 Cb 0.02 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.22 1uff n ASN 67 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1uff s GLU 68 N -1.96 3.22 0.28 1.20 2.12 -1.26 -4.76 118.70 117.55 1uff s GLU 68 Ca 0.00 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1uff s GLU 68 Cb 0.00 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.26 1uff s GLU 68 CO 0.00 -1.58 0.00 1.17 -0.54 0.00 0.00 175.26 174.31 1uff n LYS 69 N 7.39 -4.45 -2.95 4.30 3.00 -1.26 -4.93 118.16 119.25 1uff n LYS 69 Ca -0.01 3.22 -0.35 0.00 -0.00 0.00 0.00 58.31 61.17 1uff n LYS 69 Cb 0.46 -3.50 -0.06 0.00 0.00 0.00 0.00 35.03 31.93 1uff n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uff s ALA 70 N -1.48 3.24 -0.16 3.14 0.00 -1.26 -5.05 121.76 120.19 1uff s ALA 70 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 1uff s ALA 70 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1uff s ALA 70 CO 0.00 0.24 0.18 0.08 0.00 0.00 0.00 175.76 176.25 1uff s VAL 71 N -1.84 5.41 -0.49 0.00 1.01 -1.26 -5.05 120.40 118.17 1uff s VAL 71 Ca 0.53 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1uff s VAL 71 Cb -0.13 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 32.89 1uff s VAL 71 CO 0.19 0.50 0.25 -0.44 0.00 0.00 0.00 175.10 175.60 1uff s SER 72 N -0.17 4.08 0.85 3.32 0.01 -1.26 -5.10 113.70 115.43 1uff s SER 72 Ca 0.13 -2.89 0.00 0.00 1.31 0.00 0.00 55.95 54.50 1uff s SER 72 Cb -0.12 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1uff s SER 72 CO 0.02 -0.24 0.00 -0.81 0.41 0.00 0.00 173.24 172.62 1uff n PRO 73 N 3.25 -0.28 -4.50 12.44 -0.04 -1.26 -4.15 135.00 140.47 1uff n PRO 73 Ca 0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 1uff n PRO 73 Cb 0.33 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.71 1uff n PRO 73 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1uff n LYS 74 N -1.07 -0.74 -3.43 0.54 0.00 -1.26 -4.83 118.16 107.38 1uff n LYS 74 Ca 0.00 0.13 -0.44 0.00 -0.00 0.00 0.00 58.31 58.00 1uff n LYS 74 Cb 0.00 -4.55 -0.04 0.00 -0.00 0.00 0.00 35.03 30.44 1uff n LYS 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1uff s LYS 75 N -7.20 3.40 0.99 -1.58 2.47 -1.26 -5.05 119.74 111.51 1uff s LYS 75 Ca 0.74 -2.58 -0.17 0.00 -1.56 0.00 0.00 55.97 52.40 1uff s LYS 75 Cb -0.43 -4.26 -0.12 0.00 -1.46 0.00 0.00 37.83 31.56 1uff s LYS 75 CO 1.02 -1.26 -0.66 0.00 0.16 0.00 0.00 175.35 174.61 1uff n ALA 76 N 3.68 -5.09 -3.67 3.13 0.00 -1.26 -3.29 120.51 114.01 1uff n ALA 76 Ca 0.14 -0.71 -0.30 0.00 0.00 0.00 0.00 53.44 52.57 1uff n ALA 76 Cb 0.44 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 2.75 -2.24 -4.77 0.00 4.77 -1.26 -4.84 117.00 111.41 1uff n LEU 77 Ca -0.01 -0.64 -0.38 0.00 -0.03 0.00 0.00 56.01 54.95 1uff n LEU 77 Cb 0.57 -1.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 1uff n LEU 77 CO 0.52 0.19 0.89 -0.76 -1.33 0.00 0.00 177.39 176.90 1uff s LEU 78 N -4.00 4.02 0.96 2.23 1.02 -1.21 -5.02 118.68 116.69 1uff s LEU 78 Ca 0.15 2.47 -0.14 0.00 0.02 0.00 0.00 54.13 56.63 1uff s LEU 78 Cb -0.02 -4.18 0.17 0.00 0.02 0.00 0.00 46.19 42.18 1uff s LEU 78 CO 0.89 -1.04 1.16 -2.16 0.02 0.00 0.00 176.35 175.21 1uff s PRO 79 N -2.65 0.74 -0.00 1.29 0.04 -1.26 -4.99 135.00 128.17 1uff s PRO 79 Ca 0.64 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1uff s PRO 79 Cb -0.33 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1uff s PRO 79 CO 0.40 -2.44 1.20 -1.25 0.04 0.00 0.00 177.00 174.95 1uff s PRO 80 N -5.39 4.39 0.01 0.56 0.04 -1.26 -5.03 135.00 128.32 1uff s PRO 80 Ca 0.66 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1uff s PRO 80 Cb -0.12 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 1uff s PRO 80 CO 0.54 -0.36 -0.14 -0.08 0.04 0.00 0.00 177.00 177.00 1uff s THR 81 N 1.70 1.12 -0.19 1.26 -1.32 -1.26 -5.14 115.64 111.82 1uff s THR 81 Ca 0.57 -0.76 -0.30 0.00 -1.21 0.00 0.00 61.69 59.99 1uff s THR 81 Cb -0.27 -0.97 0.14 0.00 -1.51 0.00 0.00 72.50 69.90 1uff s THR 81 CO 0.25 0.20 1.10 0.54 -2.21 0.00 0.00 174.62 174.51 1uff s VAL 82 N -0.53 0.00 -0.09 5.08 0.11 -1.26 -5.16 120.40 118.55 1uff s VAL 82 Ca 0.04 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1uff s VAL 82 Cb -0.06 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1uff s VAL 82 CO 0.00 0.00 -0.16 -0.55 -3.33 0.00 0.00 175.10 171.06 1uff s SER 83 N -1.20 2.34 0.46 3.54 0.15 -1.26 -5.13 113.70 112.61 1uff s SER 83 Ca 0.02 -0.41 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 1uff s SER 83 Cb -0.01 -1.07 -0.06 0.00 -1.71 0.00 0.00 66.02 63.18 1uff s SER 83 CO -0.02 0.06 0.84 -1.48 1.20 0.00 0.00 173.24 173.84 1uff s LEU 84 N 0.72 3.70 -0.30 3.45 2.34 -1.26 -5.07 118.68 122.26 1uff s LEU 84 Ca -0.12 1.23 -0.26 0.00 0.06 0.00 0.00 54.13 55.04 1uff s LEU 84 Cb -0.16 -4.15 0.19 0.00 -0.56 0.00 0.00 46.19 41.52 1uff s LEU 84 CO 0.03 -0.51 1.46 -0.55 -1.06 0.00 0.00 176.35 175.72 1uff s SER 85 N -3.35 -0.03 0.20 1.48 0.15 -1.26 -5.19 113.70 105.70 1uff s SER 85 Ca 0.53 0.05 -0.23 0.00 0.70 0.00 0.00 55.95 57.00 1uff s SER 85 Cb -0.10 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.31 1uff s SER 85 CO 0.35 -0.01 0.82 0.00 1.20 0.00 0.00 173.24 175.60 1uff s ALA 86 N -0.12 -1.46 0.12 5.45 0.00 -1.26 -5.19 121.76 119.30 1uff s ALA 86 Ca 0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 1uff s ALA 86 Cb -0.04 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1uff s ALA 86 CO -0.15 -1.01 0.47 -0.08 0.00 0.00 0.00 175.76 174.99 1uff s THR 87 N -3.60 0.05 0.38 0.00 -1.32 -1.26 -5.18 115.64 104.70 1uff s THR 87 Ca 0.11 -0.38 0.08 0.00 -1.21 0.00 0.00 61.69 60.28 1uff s THR 87 Cb -0.03 -1.09 -0.06 0.00 -1.51 0.00 0.00 72.50 69.80 1uff s THR 87 CO 0.03 -0.21 0.06 -0.94 -2.21 0.00 0.00 174.62 171.34 1uff s SER 88 N -2.67 4.17 -0.31 8.08 1.04 -1.26 -5.13 113.70 117.63 1uff s SER 88 Ca 0.01 -1.11 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1uff s SER 88 Cb 0.01 -0.48 0.15 0.00 0.10 0.00 0.00 66.02 65.80 1uff s SER 88 CO -0.11 -0.38 0.39 -0.83 0.98 0.00 0.00 173.24 173.29 1uff s GLY 89 N -3.77 -0.41 1.04 7.32 0.00 -1.26 -5.15 107.32 105.09 1uff s GLY 89 Ca 0.37 -0.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.81 1uff s GLY 89 CO 0.20 2.93 1.20 2.56 0.00 0.00 0.00 173.10 179.99 1uff s PRO 90 N 2.28 0.05 0.14 2.90 0.04 -1.26 -5.09 135.00 134.06 1uff s PRO 90 Ca 0.11 -0.12 -0.25 0.00 0.04 0.00 0.00 61.00 60.78 1uff s PRO 90 Cb -0.13 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.74 1uff s PRO 90 CO -0.25 -2.86 1.05 0.45 0.04 0.00 0.00 177.00 175.43 1uff s SER 91 N -4.32 -0.08 0.00 6.66 0.15 -1.26 -5.19 113.70 109.66 1uff s SER 91 Ca 0.70 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 56.58 1uff s SER 91 Cb -0.08 0.44 0.11 0.00 -1.71 0.00 0.00 66.02 64.77 1uff s SER 91 CO 0.54 -0.84 1.17 -0.55 1.20 0.00 0.00 173.24 174.76 1uff s SER 92 N -3.16 -0.12 0.00 5.45 0.15 -1.26 -5.37 113.70 109.38 1uff s SER 92 Ca 0.17 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1uff s SER 92 Cb -0.01 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1uff s SER 92 CO 0.03 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.62