#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1prt s PRO 3 N 0.00 1.17 0.88 3.23 0.02 -1.26 -4.85 135.00 134.18 1prt s PRO 3 Ca 0.00 -0.33 -0.12 0.00 0.02 0.00 0.00 61.00 60.57 1prt s PRO 3 Cb 0.00 -4.96 0.12 0.00 0.02 0.00 0.00 34.50 29.68 1prt s PRO 3 CO 0.00 -5.47 1.10 0.99 -0.33 0.00 0.00 177.00 173.29 1prt s THR 4 N 17.05 2.61 0.13 0.99 2.01 -1.26 -3.67 115.64 133.51 1prt s THR 4 Ca 0.83 0.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.84 1prt s THR 4 Cb -0.06 -2.83 0.05 0.00 0.01 0.00 0.00 72.50 69.67 1prt s THR 4 CO 0.17 -0.26 0.47 -1.00 -0.69 0.00 0.00 174.62 173.32 1prt s HIS 5 N -3.09 -0.33 0.07 4.92 3.76 0.11 -4.96 115.29 115.78 1prt s HIS 5 Ca 0.63 0.06 0.06 0.00 -0.15 0.00 0.00 55.06 55.66 1prt s HIS 5 Cb -0.16 0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.86 1prt s HIS 5 CO 0.55 -0.75 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.36 1prt s LEU 6 N -2.75 2.24 -0.13 0.89 0.20 -1.26 -1.86 118.68 116.01 1prt s LEU 6 Ca 0.02 -0.58 -0.03 0.00 0.69 0.00 0.00 54.13 54.23 1prt s LEU 6 Cb 0.01 -0.68 0.05 0.00 -0.43 0.00 0.00 46.19 45.13 1prt s LEU 6 CO -0.12 0.02 0.06 -0.31 -0.29 0.00 0.00 176.35 175.71 1prt s TYR 7 N -1.07 0.33 0.29 5.38 1.51 -0.15 -4.98 117.35 118.67 1prt s TYR 7 Ca 0.02 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1prt s TYR 7 Cb -0.09 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1prt s TYR 7 CO 0.02 -0.42 0.43 0.15 -1.11 0.00 0.00 175.55 174.63 1prt s LYS 8 N 2.09 3.35 -1.60 -0.62 1.02 -1.26 -1.03 119.74 121.68 1prt s LYS 8 Ca 0.03 -0.74 -0.11 0.00 0.02 0.00 0.00 55.97 55.17 1prt s LYS 8 Cb -0.15 -2.82 0.10 0.00 -0.52 0.00 0.00 37.83 34.44 1prt s LYS 8 CO -0.07 0.26 0.60 0.09 -0.92 0.00 0.00 175.35 175.31 1prt n ASN 9 N -1.56 -1.96 -4.87 2.83 3.02 -0.87 -4.95 115.26 106.90 1prt n ASN 9 Ca -0.06 -1.03 -0.24 0.00 -0.03 0.00 0.00 54.58 53.22 1prt n ASN 9 Cb 0.57 -2.75 -0.04 0.00 -0.61 0.00 0.00 39.78 36.96 1prt n ASN 9 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1prt s PHE 10 N -3.60 3.26 0.04 3.10 0.08 -0.89 -4.85 117.98 115.11 1prt s PHE 10 Ca 0.44 -0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.52 1prt s PHE 10 Cb -0.24 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1prt s PHE 10 CO 0.92 0.50 -0.10 0.99 -0.10 0.00 0.00 175.22 177.43 1prt s THR 11 N -1.90 3.35 -0.19 0.64 2.01 -0.62 0.61 115.64 119.54 1prt s THR 11 Ca 0.33 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 1prt s THR 11 Cb -0.09 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1prt s THR 11 CO 0.26 0.32 0.90 -0.69 -0.69 0.00 0.00 174.62 174.72 1prt s VAL 12 N -1.03 4.81 -0.09 3.82 1.01 -1.26 0.10 120.40 127.77 1prt s VAL 12 Ca 0.17 1.76 0.08 0.00 0.00 0.00 0.00 61.98 64.00 1prt s VAL 12 Cb -0.11 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 1prt s VAL 12 CO 0.08 -0.05 0.03 0.00 0.00 0.00 0.00 175.10 175.17 1prt n GLN 13 N 5.62 2.52 -4.31 2.72 6.02 0.14 -4.93 117.38 125.16 1prt n GLN 13 Ca 0.07 -0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.88 1prt n GLN 13 Cb 0.48 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 30.37 1prt n GLN 13 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1prt s GLU 14 N -2.22 0.72 -0.01 -1.09 2.02 -1.21 -4.97 118.70 111.94 1prt s GLU 14 Ca -0.04 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1prt s GLU 14 Cb 0.03 -0.68 0.02 0.00 0.10 0.00 0.00 34.13 33.60 1prt s GLU 14 CO 0.36 0.18 0.01 -1.17 0.02 0.00 0.00 175.26 174.66 1prt s LEU 15 N -0.53 1.46 -0.22 1.80 2.96 -1.26 -1.67 118.68 121.22 1prt s LEU 15 Ca 0.01 0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 1prt s LEU 15 Cb -0.05 -0.07 0.07 0.00 0.50 0.00 0.00 46.19 46.64 1prt s LEU 15 CO 0.00 -0.07 0.54 0.00 -1.32 0.00 0.00 176.35 175.50 1prt s ALA 16 N 0.63 -1.43 -0.31 5.97 0.00 0.24 -4.99 121.76 121.88 1prt s ALA 16 Ca -0.05 1.93 -0.06 0.00 0.00 0.00 0.00 51.96 53.78 1prt s ALA 16 Cb -0.08 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.91 1prt s ALA 16 CO -0.02 -0.32 0.08 -1.17 0.00 0.00 0.00 175.76 174.34 1prt s LEU 17 N 1.49 3.97 0.00 0.00 2.96 -1.26 -0.83 118.68 125.01 1prt s LEU 17 Ca -0.10 -0.88 0.02 0.00 -0.22 0.00 0.00 54.13 52.96 1prt s LEU 17 Cb -0.07 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1prt s LEU 17 CO -0.16 -0.24 0.09 0.29 -1.32 0.00 0.00 176.35 175.01 1prt n LYS 18 N 4.83 0.34 -4.85 1.98 5.02 0.32 -5.00 118.16 120.81 1prt n LYS 18 Ca -0.14 -1.24 -0.32 0.00 -2.02 0.00 0.00 58.31 54.59 1prt n LYS 18 Cb 0.47 0.91 -0.16 0.00 -0.02 0.00 0.00 35.03 36.23 1prt n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1prt s LEU 19 N 0.00 2.24 -0.47 -0.35 2.96 -1.26 -0.70 118.68 121.09 1prt s LEU 19 Ca 0.13 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1prt s LEU 19 Cb 0.01 -1.47 0.12 0.00 0.50 0.00 0.00 46.19 45.34 1prt s LEU 19 CO 0.09 0.12 0.34 -0.75 -1.32 0.00 0.00 176.35 174.83 1prt s LYS 20 N 0.60 2.48 5.12 1.98 2.20 0.10 -4.90 119.74 127.32 1prt s LYS 20 Ca -0.11 -1.76 0.00 0.00 -0.36 0.00 0.00 55.97 53.74 1prt s LYS 20 Cb -0.16 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 1prt s LYS 20 CO 0.03 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 1prt n GLY 21 N 4.91 1.22 1.79 5.54 0.00 -1.26 -1.04 105.19 116.35 1prt n GLY 21 Ca -0.08 0.26 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1prt n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1prt n LYS 22 N 0.00 1.80 -4.47 1.61 4.01 -1.26 -5.03 118.16 114.82 1prt n LYS 22 Ca 0.00 -3.29 -0.21 0.00 -0.51 0.00 0.00 58.31 54.30 1prt n LYS 22 Cb 0.00 -1.42 -0.14 0.00 -0.51 0.00 0.00 35.03 32.96 1prt n LYS 22 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1prt s ASN 23 N -3.20 1.60 0.66 4.39 -0.87 -0.21 -5.11 114.94 112.21 1prt s ASN 23 Ca 0.38 -0.35 -0.15 0.00 -1.57 0.00 0.00 52.86 51.17 1prt s ASN 23 Cb 0.37 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.47 1prt s ASN 23 CO -0.06 0.10 1.10 -1.10 -2.57 0.00 0.00 177.10 174.57 1prt s GLN 24 N -0.73 2.79 -0.28 -0.60 -1.52 -1.26 0.01 119.66 118.07 1prt s GLN 24 Ca 0.03 1.35 -0.20 0.00 -1.95 0.00 0.00 55.36 54.59 1prt s GLN 24 Cb -0.06 -1.95 0.10 0.00 -0.22 0.00 0.00 33.01 30.87 1prt s GLN 24 CO 0.00 -1.25 0.83 -2.00 -0.25 0.00 0.00 175.29 172.62 1prt s GLU 25 N -4.18 0.63 0.08 2.91 2.12 0.12 -1.87 118.70 118.51 1prt s GLU 25 Ca 0.66 0.92 0.06 0.00 0.36 0.00 0.00 54.97 56.97 1prt s GLU 25 Cb -0.20 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 1prt s GLU 25 CO 0.43 -0.10 -0.15 -0.59 -0.54 0.00 0.00 175.26 174.30 1prt s PHE 26 N 0.99 1.32 0.03 5.30 -0.71 -0.33 -0.52 117.98 124.07 1prt s PHE 26 Ca -0.05 -0.46 -0.06 0.00 -1.04 0.00 0.00 56.93 55.32 1prt s PHE 26 Cb -0.05 -0.73 -0.01 0.00 -1.21 0.00 0.00 43.02 41.02 1prt s PHE 26 CO -0.11 0.09 0.10 0.00 -1.34 0.00 0.00 175.22 173.96 1prt s LEU 28 N -2.05 2.45 -0.18 0.00 0.05 -0.75 -0.59 118.68 117.61 1prt s LEU 28 Ca -0.06 -0.89 0.01 0.00 0.05 0.00 0.00 54.13 53.24 1prt s LEU 28 Cb -0.02 -0.18 0.02 0.00 -2.05 0.00 0.00 46.19 43.96 1prt s LEU 28 CO -0.04 -0.35 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.33 1prt s THR 29 N -2.93 1.98 -0.16 5.48 2.01 -0.67 -2.26 115.64 119.10 1prt s THR 29 Ca 0.07 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 1prt s THR 29 Cb 0.00 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 1prt s THR 29 CO -0.02 0.51 0.25 0.00 -0.69 0.00 0.00 174.62 174.66 1prt s ALA 30 N 1.32 3.65 0.01 7.40 0.00 0.92 0.24 121.76 135.30 1prt s ALA 30 Ca 0.05 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1prt s ALA 30 Cb -0.13 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1prt s ALA 30 CO -0.12 0.18 -0.10 0.12 0.00 0.00 0.00 175.76 175.84 1prt s PHE 31 N 0.20 0.90 -0.07 0.00 5.36 0.29 -0.67 117.98 124.00 1prt s PHE 31 Ca 0.15 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 1prt s PHE 31 Cb -0.13 -0.56 0.02 0.00 -0.34 0.00 0.00 43.02 42.01 1prt s PHE 31 CO 0.03 -0.01 -0.08 1.41 -1.46 0.00 0.00 175.22 175.11 1prt s MET 32 N -0.54 1.31 0.21 10.12 -2.45 -1.26 -1.59 119.30 125.10 1prt s MET 32 Ca 0.02 -0.24 -0.10 0.00 -1.25 0.00 0.00 55.69 54.11 1prt s MET 32 Cb -0.05 -1.23 0.29 0.00 1.25 0.00 0.00 34.83 35.09 1prt s MET 32 CO 0.00 -0.09 1.28 0.45 1.05 0.00 0.00 175.02 177.70 1prt n SER 33 N 4.22 -0.41 0.00 1.11 2.88 -1.26 0.93 113.62 121.09 1prt n SER 33 Ca -0.20 1.42 0.02 0.00 -1.33 0.00 0.00 58.87 58.78 1prt n SER 33 Cb 0.51 -0.38 0.11 0.00 -0.75 0.00 0.00 64.21 63.70 1prt n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1prt n GLY 34 N -1.46 -0.50 0.00 0.46 0.00 -1.26 -4.89 105.19 97.54 1prt n GLY 34 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1prt n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1prt n ARG 35 N -1.35 0.00 -1.14 1.61 1.85 0.26 -5.16 116.66 112.74 1prt n ARG 35 Ca 0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.57 1prt n ARG 35 Cb 0.04 0.00 0.24 0.00 -1.05 0.00 0.00 32.46 31.69 1prt n ARG 35 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1prt s SER 36 N 1.55 0.90 -0.13 2.89 1.04 -1.26 -4.67 113.70 114.03 1prt s SER 36 Ca 0.00 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.89 1prt s SER 36 Cb 0.00 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 1prt s SER 36 CO 0.00 -4.12 0.15 -0.76 0.98 0.00 0.00 173.24 169.49 1prt s LEU 37 N -6.91 4.35 -0.37 2.42 1.43 -1.26 -4.14 118.68 114.20 1prt s LEU 37 Ca 0.72 0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 54.17 1prt s LEU 37 Cb -0.08 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.08 1prt s LEU 37 CO 0.56 0.35 0.18 -0.69 0.23 0.00 0.00 176.35 176.98 1prt s VAL 38 N -0.71 4.21 -0.18 -1.59 1.01 0.16 -4.93 120.40 118.37 1prt s VAL 38 Ca 0.14 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1prt s VAL 38 Cb -0.12 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1prt s VAL 38 CO 0.03 -0.28 0.04 -0.13 0.00 0.00 0.00 175.10 174.77 1prt s ARG 39 N 1.47 3.90 0.01 2.72 3.00 -1.26 -0.05 118.95 128.74 1prt s ARG 39 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 55.73 55.36 1prt s ARG 39 Cb -0.20 -3.15 -0.01 0.00 0.00 0.00 0.00 34.95 31.58 1prt s ARG 39 CO 0.04 0.25 -0.04 0.00 0.00 0.00 0.00 175.30 175.56 1prt s ALA 40 N 0.41 0.25 0.03 2.13 0.00 -0.96 -2.23 121.76 121.40 1prt s ALA 40 Ca 0.02 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1prt s ALA 40 Cb -0.13 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1prt s ALA 40 CO 0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 175.76 175.57 1prt s LEU 42 N -0.98 2.55 0.04 0.00 0.20 0.55 -2.97 118.68 118.07 1prt s LEU 42 Ca 0.06 -0.50 0.03 0.00 0.69 0.00 0.00 54.13 54.41 1prt s LEU 42 Cb -0.08 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1prt s LEU 42 CO 0.01 -0.00 -0.01 -0.44 -0.29 0.00 0.00 176.35 175.62 1prt s SER 43 N 1.33 5.00 -0.62 3.68 0.01 -1.26 -1.19 113.70 120.65 1prt s SER 43 Ca 0.04 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.93 1prt s SER 43 Cb -0.14 -1.23 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 1prt s SER 43 CO -0.07 0.23 1.88 -0.62 0.41 0.00 0.00 173.24 175.08 1prt s ASP 44 N -1.89 5.23 0.00 2.44 2.15 -0.78 -4.85 116.67 118.97 1prt s ASP 44 Ca 0.22 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.53 1prt s ASP 44 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1prt s ASP 44 CO 0.14 -2.41 0.00 0.00 -0.17 0.00 0.00 175.17 172.72 1prt n ALA 45 N 12.92 1.01 0.00 3.66 0.00 -1.26 -4.65 120.51 132.19 1prt n ALA 45 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1prt n ALA 45 Cb 0.52 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1prt n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1prt n GLY 46 N 0.02 1.51 3.54 0.00 0.00 -1.26 -4.89 105.19 104.11 1prt n GLY 46 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1prt n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1prt n HIS 47 N 0.00 1.05 -2.05 1.61 8.25 -1.26 -4.86 115.22 117.97 1prt n HIS 47 Ca 0.00 0.10 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 1prt n HIS 47 Cb 0.00 -2.35 -0.03 0.00 1.12 0.00 0.00 29.99 28.73 1prt n HIS 47 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1prt s GLU 48 N 8.46 2.92 0.00 -0.41 2.56 -1.26 -2.60 118.70 128.36 1prt s GLU 48 Ca 1.06 0.90 0.00 0.00 0.00 0.00 0.00 54.97 56.93 1prt s GLU 48 Cb -0.40 -4.30 0.00 0.00 2.00 0.00 0.00 34.13 31.43 1prt s GLU 48 CO 0.27 -2.37 0.00 1.58 -0.56 0.00 0.00 175.26 174.18 1prt n HIS 49 N 11.70 0.00 -1.53 5.30 -0.00 -1.26 -5.07 115.22 124.36 1prt n HIS 49 Ca 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.80 1prt n HIS 49 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.39 1prt n HIS 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1prt n ASP 50 N 0.00 1.13 0.29 0.26 8.00 -1.07 -4.56 116.55 120.60 1prt n ASP 50 Ca 0.00 -1.91 0.17 0.00 0.71 0.00 0.00 54.79 53.76 1prt n ASP 50 Cb 0.00 -1.56 0.83 0.00 -0.02 0.00 0.00 41.12 40.36 1prt n ASP 50 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1prt h THR 51 N 7.13 0.17 -0.88 -3.53 2.02 -1.97 -2.87 112.91 112.97 1prt h THR 51 Ca 0.00 -0.42 0.18 0.00 0.77 0.00 0.00 66.41 66.94 1prt h THR 51 Cb 1.01 1.35 -0.17 0.00 -1.74 0.00 0.00 68.15 68.60 1prt h THR 51 CO 1.04 0.04 -0.23 -0.25 0.37 0.00 0.00 175.52 176.49 1prt h TRP 52 N 0.00 -0.50 -0.11 3.16 7.01 -1.99 0.20 115.95 123.73 1prt h TRP 52 Ca -0.00 0.08 0.04 0.00 2.11 0.00 0.00 58.89 61.12 1prt h TRP 52 Cb 0.35 0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 27.71 1prt h TRP 52 CO 0.00 -0.38 -0.25 0.35 -2.79 0.00 0.00 178.44 175.37 1prt h PHE 53 N -0.00 -0.68 -0.65 2.65 3.04 -1.89 0.24 116.94 119.64 1prt h PHE 53 Ca 0.42 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.31 1prt h PHE 53 Cb 0.64 0.32 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1prt h PHE 53 CO -0.70 -0.34 0.06 -0.44 -2.02 0.00 0.00 178.31 174.87 1prt h ASP 54 N -0.33 1.07 0.24 0.41 3.32 -0.92 0.15 116.42 120.36 1prt h ASP 54 Ca 0.09 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1prt h ASP 54 Cb 0.47 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1prt h ASP 54 CO -0.30 1.09 -0.12 0.74 -1.72 0.00 0.00 179.24 178.94 1prt h THR 55 N 1.02 0.82 -0.33 0.35 2.02 -0.27 -0.07 112.91 116.44 1prt h THR 55 Ca 0.19 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1prt h THR 55 Cb 0.51 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1prt h THR 55 CO 0.02 0.08 0.08 0.24 0.37 0.00 0.00 175.52 176.31 1prt h MET 56 N -0.51 0.49 -0.37 6.66 2.86 -0.42 0.61 114.93 124.25 1prt h MET 56 Ca -0.03 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1prt h MET 56 Cb 0.38 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1prt h MET 56 CO 0.05 0.46 0.09 1.25 1.06 0.00 0.00 176.91 179.82 1prt h LEU 57 N 0.48 0.57 -0.27 1.22 6.46 -0.43 0.26 115.31 123.59 1prt h LEU 57 Ca 0.11 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.60 1prt h LEU 57 Cb 0.20 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1prt h LEU 57 CO -0.00 0.66 0.01 1.23 -0.62 0.00 0.00 178.44 179.72 1prt h GLY 58 N 0.45 0.51 0.64 3.75 0.00 -0.32 -0.57 103.07 107.53 1prt h GLY 58 Ca 0.12 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.14 1prt h GLY 58 CO 0.00 0.34 0.29 -2.75 0.00 0.00 0.00 176.54 174.43 1prt h PHE 59 N 0.26 0.53 -0.05 5.60 3.57 -0.63 0.11 116.94 126.34 1prt h PHE 59 Ca 0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1prt h PHE 59 Cb 0.40 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1prt h PHE 59 CO 0.03 0.24 -0.27 0.00 -2.23 0.00 0.00 178.31 176.08 1prt h ALA 60 N 1.33 1.46 -0.29 2.41 0.00 -0.25 -0.16 119.26 123.75 1prt h ALA 60 Ca 0.27 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1prt h ALA 60 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1prt h ALA 60 CO -0.20 0.39 -0.53 0.82 0.00 0.00 0.00 179.25 179.73 1prt h ILE 61 N 0.08 1.28 -0.29 0.00 2.04 0.72 -0.75 117.51 120.58 1prt h ILE 61 Ca 0.01 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 1prt h ILE 61 Cb 0.52 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1prt h ILE 61 CO 0.04 0.56 0.12 0.28 0.00 0.00 0.00 178.15 179.14 1prt h SER 62 N 0.67 0.41 -0.51 1.72 0.02 -0.37 0.47 113.55 115.95 1prt h SER 62 Ca 0.02 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1prt h SER 62 Cb 1.14 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 1prt h SER 62 CO 0.12 0.47 0.28 0.00 -1.14 0.00 0.00 176.83 176.56 1prt h ALA 63 N 0.96 0.66 -0.65 3.77 0.00 -0.98 0.28 119.26 123.29 1prt h ALA 63 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1prt h ALA 63 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1prt h ALA 63 CO -0.01 -0.04 0.34 -0.92 0.00 0.00 0.00 179.25 178.62 1prt h TYR 64 N 0.55 0.91 -0.36 0.00 5.03 -0.43 -2.57 116.97 120.10 1prt h TYR 64 Ca 0.22 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 1prt h TYR 64 Cb 0.09 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 1prt h TYR 64 CO -0.08 0.67 0.10 0.00 -1.32 0.00 0.00 178.16 177.52 1prt h ALA 65 N 1.16 0.48 0.00 1.82 0.00 0.96 -2.98 119.26 120.69 1prt h ALA 65 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1prt h ALA 65 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1prt h ALA 65 CO -0.03 0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.28 1prt h LEU 66 N 0.44 0.00 1.40 0.00 3.38 -0.44 -3.47 115.31 116.63 1prt h LEU 66 Ca 0.12 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 1prt h LEU 66 Cb 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1prt h LEU 66 CO -0.00 0.00 -0.32 0.29 0.09 0.00 0.00 178.44 178.50 1prt n LYS 67 N -2.68 -1.08 -2.56 1.13 5.02 -0.97 -4.98 118.16 112.03 1prt n LYS 67 Ca 0.02 0.85 -0.30 0.00 -2.02 0.00 0.00 58.31 56.86 1prt n LYS 67 Cb 0.33 -5.06 -0.02 0.00 -0.02 0.00 0.00 35.03 30.26 1prt n LYS 67 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1prt s SER 68 N -2.59 6.43 0.29 4.39 1.04 -1.23 -5.00 113.70 117.02 1prt s SER 68 Ca 0.00 1.21 -0.28 0.00 0.48 0.00 0.00 55.95 57.36 1prt s SER 68 Cb 0.00 -2.36 -0.09 0.00 0.10 0.00 0.00 66.02 63.66 1prt s SER 68 CO 0.00 -0.55 1.01 -0.13 0.98 0.00 0.00 173.24 174.54 1prt s ARG 69 N -4.32 4.66 0.45 4.02 0.52 -1.26 -4.57 118.95 118.45 1prt s ARG 69 Ca 0.52 1.57 0.06 0.00 -0.52 0.00 0.00 55.73 57.37 1prt s ARG 69 Cb -0.10 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 1prt s ARG 69 CO 0.38 0.30 0.21 0.96 0.02 0.00 0.00 175.30 177.17 1prt s ILE 70 N -1.30 2.05 -0.12 1.52 -4.36 0.20 -1.52 121.20 117.68 1prt s ILE 70 Ca 0.46 -1.68 -0.01 0.00 -0.26 0.00 0.00 60.65 59.15 1prt s ILE 70 Cb -0.26 -2.74 0.04 0.00 1.25 0.00 0.00 42.46 40.75 1prt s ILE 70 CO 0.33 0.00 -0.02 0.00 0.24 0.00 0.00 174.94 175.49 1prt s ALA 71 N -2.66 1.03 0.04 2.27 0.00 0.89 -2.06 121.76 121.27 1prt s ALA 71 Ca 0.36 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.94 1prt s ALA 71 Cb 0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1prt s ALA 71 CO 0.20 -0.63 -0.19 -0.48 0.00 0.00 0.00 175.76 174.66 1prt s LEU 72 N 1.84 2.16 -0.33 0.00 2.34 -0.20 -0.77 118.68 123.72 1prt s LEU 72 Ca 0.03 -0.50 -0.05 0.00 0.06 0.00 0.00 54.13 53.67 1prt s LEU 72 Cb -0.14 -0.89 0.04 0.00 -0.56 0.00 0.00 46.19 44.64 1prt s LEU 72 CO -0.07 0.14 0.08 -0.89 -1.06 0.00 0.00 176.35 174.55 1prt s THR 73 N -0.79 3.60 0.12 5.48 2.01 -0.97 -0.98 115.64 124.11 1prt s THR 73 Ca 0.06 -1.20 0.07 0.00 0.31 0.00 0.00 61.69 60.94 1prt s THR 73 Cb -0.08 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1prt s THR 73 CO 0.02 -0.17 -0.08 0.68 -0.69 0.00 0.00 174.62 174.38 1prt s VAL 74 N 1.37 3.46 0.00 3.82 -7.23 -0.78 -1.22 120.40 119.81 1prt s VAL 74 Ca -0.02 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1prt s VAL 74 Cb -0.20 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1prt s VAL 74 CO 0.02 0.06 0.00 1.21 -0.31 0.00 0.00 175.10 176.08 1prt n GLU 75 N 0.51 3.22 -4.08 4.82 2.13 0.08 -0.71 120.64 126.61 1prt n GLU 75 Ca -0.12 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.59 1prt n GLU 75 Cb 0.53 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.13 1prt n GLU 75 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1prt s ASP 76 N -1.00 0.74 -0.14 4.31 1.01 -1.24 -4.32 116.67 116.04 1prt s ASP 76 Ca 0.00 -0.74 -0.04 0.00 0.71 0.00 0.00 52.55 52.48 1prt s ASP 76 Cb 0.00 0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.99 1prt s ASP 76 CO 0.00 -0.37 -0.00 -0.94 0.21 0.00 0.00 175.17 174.07 1prt s SER 77 N -2.19 5.12 0.00 0.27 1.04 -1.26 -4.77 113.70 111.90 1prt s SER 77 Ca -0.02 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1prt s SER 77 Cb -0.03 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.39 1prt s SER 77 CO -0.03 0.24 0.46 -0.81 0.98 0.00 0.00 173.24 174.08 1prt n PRO 78 N 3.04 0.37 -3.15 4.02 -0.04 -1.26 -4.39 135.00 133.59 1prt n PRO 78 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1prt n PRO 78 Cb 0.53 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 1prt n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1prt s TYR 79 N 0.78 -1.46 0.88 0.54 -0.85 -1.26 -5.17 117.35 110.82 1prt s TYR 79 Ca 0.00 1.39 -0.13 0.00 -0.52 0.00 0.00 57.07 57.81 1prt s TYR 79 Cb 0.00 0.45 0.06 0.00 0.38 0.00 0.00 41.96 42.85 1prt s TYR 79 CO 0.00 -0.81 0.75 -0.35 -1.52 0.00 0.00 175.55 173.62 1prt n PRO 80 N 5.42 -0.14 -1.11 -3.49 -0.04 -1.26 -3.41 135.00 130.98 1prt n PRO 80 Ca -0.00 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1prt n PRO 80 Cb 0.52 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.88 1prt n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1prt n GLY 81 N 1.06 0.66 3.00 0.55 0.00 -1.26 -5.03 105.19 104.18 1prt n GLY 81 Ca 0.10 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1prt n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1prt s THR 82 N -2.12 0.86 0.31 2.61 2.01 -1.22 -5.13 115.64 112.97 1prt s THR 82 Ca 0.00 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1prt s THR 82 Cb 0.00 -0.78 -0.11 0.00 0.01 0.00 0.00 72.50 71.62 1prt s THR 82 CO 0.00 0.28 1.44 -2.84 -0.69 0.00 0.00 174.62 172.81 1prt s PRO 83 N 0.35 4.22 0.70 4.92 0.02 -1.26 -4.76 135.00 139.19 1prt s PRO 83 Ca -0.06 2.40 -0.04 0.00 0.02 0.00 0.00 61.00 63.32 1prt s PRO 83 Cb -0.11 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 31.45 1prt s PRO 83 CO 0.01 -0.42 0.98 0.20 -0.33 0.00 0.00 177.00 177.44 1prt s GLY 84 N 0.01 1.75 -0.07 0.52 0.00 -0.95 -4.66 107.32 103.93 1prt s GLY 84 Ca 0.55 -1.28 -0.27 0.00 0.00 0.00 0.00 44.72 43.72 1prt s GLY 84 CO 0.52 -0.82 0.87 -0.35 0.00 0.00 0.00 173.10 173.32 1prt s ASP 85 N -4.60 7.16 -0.22 1.64 2.15 -1.26 -0.18 116.67 121.36 1prt s ASP 85 Ca 0.63 1.40 -0.28 0.00 0.43 0.00 0.00 52.55 54.73 1prt s ASP 85 Cb -0.08 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1prt s ASP 85 CO 0.44 -0.28 1.00 -0.22 -0.17 0.00 0.00 175.17 175.94 1prt s LEU 86 N 1.35 4.11 -0.02 -1.34 0.20 -1.16 -0.74 118.68 121.09 1prt s LEU 86 Ca 0.44 1.34 0.14 0.00 0.69 0.00 0.00 54.13 56.74 1prt s LEU 86 Cb -0.19 -3.49 -0.21 0.00 -0.43 0.00 0.00 46.19 41.88 1prt s LEU 86 CO 0.20 -0.62 0.31 0.18 -0.29 0.00 0.00 176.35 176.13 1prt n LEU 87 N 6.13 0.03 -3.62 -0.68 4.32 -0.36 -4.84 117.00 117.97 1prt n LEU 87 Ca 0.11 -0.02 -0.16 0.00 -0.02 0.00 0.00 56.01 55.92 1prt n LEU 87 Cb 0.47 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.19 1prt n LEU 87 CO 0.51 0.01 0.30 -0.70 -1.22 0.00 0.00 177.39 176.29 1prt s GLU 88 N -2.91 0.86 -0.01 3.23 2.12 -1.21 -5.02 118.70 115.77 1prt s GLU 88 Ca -0.05 0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1prt s GLU 88 Cb 0.09 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.89 1prt s GLU 88 CO 0.56 -0.22 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.87 1prt s LEU 89 N -0.70 1.84 -0.04 2.70 2.96 -1.26 -2.30 118.68 121.87 1prt s LEU 89 Ca -0.08 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1prt s LEU 89 Cb -0.03 -0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.48 1prt s LEU 89 CO 0.06 0.02 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.46 1prt s GLN 90 N 0.14 0.96 -0.42 1.98 0.74 0.05 -5.00 119.66 118.12 1prt s GLN 90 Ca -0.01 -0.17 -0.19 0.00 0.05 0.00 0.00 55.36 55.04 1prt s GLN 90 Cb -0.04 -0.91 0.02 0.00 1.10 0.00 0.00 33.01 33.18 1prt s GLN 90 CO -0.00 -0.04 0.54 0.42 -0.55 0.00 0.00 175.29 175.66 1prt s ILE 91 N 0.77 4.96 0.76 -2.34 1.01 -1.26 -0.07 121.20 125.03 1prt s ILE 91 Ca -0.11 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1prt s ILE 91 Cb -0.14 -4.11 0.06 0.00 0.01 0.00 0.00 42.46 38.28 1prt s ILE 91 CO 0.01 -0.49 1.19 0.00 0.00 0.00 0.00 174.94 175.65 1prt n PRO 93 N -3.01 0.76 -1.94 0.00 -0.02 -1.26 -4.69 135.00 124.83 1prt n PRO 93 Ca 0.13 0.27 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 1prt n PRO 93 Cb 0.51 -1.70 0.01 0.00 -0.02 0.00 0.00 33.50 32.30 1prt n PRO 93 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1prt s LEU 94 N 0.87 4.14 0.00 2.45 1.43 -1.26 -1.63 118.68 124.68 1prt s LEU 94 Ca 0.76 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.61 1prt s LEU 94 Cb -0.95 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 41.32 1prt s LEU 94 CO 0.54 -1.03 0.00 0.59 0.23 0.00 0.00 176.35 176.68 1prt n ASN 95 N -0.10 0.00 0.00 2.29 3.02 -1.26 -4.90 115.26 114.31 1prt n ASN 95 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1prt n ASN 95 Cb 0.43 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1prt n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1prt n GLY 96 N -2.00 5.40 3.29 7.41 0.00 -0.65 -5.15 105.19 113.49 1prt n GLY 96 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 1prt n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1prt s TYR 97 N 2.24 1.54 0.20 1.61 1.51 -1.26 -4.71 117.35 118.47 1prt s TYR 97 Ca 0.00 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.19 1prt s TYR 97 Cb 0.00 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 41.00 1prt s TYR 97 CO 0.00 0.23 0.94 0.00 -1.11 0.00 0.00 175.55 175.61