#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbk s SER 2 N 0.00 -0.07 0.18 1.61 0.15 -1.26 -5.19 113.70 109.12 2dbk s SER 2 Ca 0.00 -0.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 2dbk s SER 2 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2dbk s SER 2 CO 0.00 -1.04 0.37 -0.55 1.20 0.00 0.00 173.24 173.22 2dbk s SER 3 N -3.17 -0.05 0.00 5.45 0.15 -1.26 -5.18 113.70 109.64 2dbk s SER 3 Ca 0.17 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2dbk s SER 3 Cb -0.02 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dbk s SER 3 CO 0.05 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.13 2dbk n GLY 4 N -0.27 3.82 3.61 9.45 0.00 -1.26 -5.19 105.19 115.36 2dbk n GLY 4 Ca -0.07 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 2dbk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbk s SER 5 N 0.20 -0.34 -0.09 1.61 0.15 -1.26 -5.19 113.70 108.79 2dbk s SER 5 Ca 0.00 -0.21 -0.32 0.00 0.70 0.00 0.00 55.95 56.12 2dbk s SER 5 Cb 0.00 0.51 0.13 0.00 -1.71 0.00 0.00 66.02 64.95 2dbk s SER 5 CO 0.00 -0.89 1.23 -0.55 1.20 0.00 0.00 173.24 174.24 2dbk s SER 6 N -2.74 -0.10 -0.23 5.45 0.15 -1.26 -5.19 113.70 109.78 2dbk s SER 6 Ca 0.07 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.37 2dbk s SER 6 Cb -0.02 0.17 0.13 0.00 -1.71 0.00 0.00 66.02 64.59 2dbk s SER 6 CO -0.04 -0.30 1.05 -0.83 1.20 0.00 0.00 173.24 174.32 2dbk s GLY 7 N -2.61 -0.16 1.17 9.45 0.00 -1.26 -5.18 107.32 108.74 2dbk s GLY 7 Ca 0.12 2.47 -0.18 0.00 0.00 0.00 0.00 44.72 47.13 2dbk s GLY 7 CO -0.04 1.49 1.11 2.56 0.00 0.00 0.00 173.10 178.21 2dbk s PRO 8 N -0.37 -0.97 0.21 2.90 0.04 -1.26 -5.07 135.00 130.48 2dbk s PRO 8 Ca 0.02 0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.16 2dbk s PRO 8 Cb -0.03 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 2dbk s PRO 8 CO -0.04 -3.56 -0.01 -0.48 0.04 0.00 0.00 177.00 172.96 2dbk s LEU 9 N -6.86 3.24 0.00 -3.56 2.34 -1.26 -5.00 118.68 107.57 2dbk s LEU 9 Ca 0.70 -0.51 0.15 0.00 0.06 0.00 0.00 54.13 54.53 2dbk s LEU 9 Cb -0.11 -1.84 0.85 0.00 -0.56 0.00 0.00 46.19 44.53 2dbk s LEU 9 CO 0.56 0.05 1.37 -0.81 -1.06 0.00 0.00 176.35 176.47 2dbk n PRO 10 N -0.43 0.37 -1.97 1.48 -0.04 -1.26 -4.79 135.00 128.36 2dbk n PRO 10 Ca -0.09 0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 2dbk n PRO 10 Cb 0.57 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2dbk n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dbk s SER 11 N -2.25 5.74 -0.06 3.54 0.15 -1.26 -5.06 113.70 114.50 2dbk s SER 11 Ca 0.19 1.77 0.04 0.00 0.70 0.00 0.00 55.95 58.65 2dbk s SER 11 Cb 0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2dbk s SER 11 CO 0.20 -1.19 -0.17 0.28 1.20 0.00 0.00 173.24 173.55 2dbk s THR 12 N -2.57 1.48 -0.11 6.45 -1.32 -1.26 -5.13 115.64 113.18 2dbk s THR 12 Ca 0.62 -0.72 -0.13 0.00 -1.21 0.00 0.00 61.69 60.26 2dbk s THR 12 Cb -0.15 -1.29 0.03 0.00 -1.51 0.00 0.00 72.50 69.58 2dbk s THR 12 CO 0.40 0.43 0.34 -1.10 -2.21 0.00 0.00 174.62 172.48 2dbk s GLN 13 N 0.25 0.46 -0.40 7.08 -0.21 -1.26 -5.11 119.66 120.47 2dbk s GLN 13 Ca -0.09 0.35 -0.44 0.00 0.02 0.00 0.00 55.36 55.20 2dbk s GLN 13 Cb -0.14 0.22 -0.18 0.00 1.00 0.00 0.00 33.01 33.91 2dbk s GLN 13 CO 0.04 -0.08 1.70 0.09 -2.12 0.00 0.00 175.29 174.92 2dbk n ASN 14 N 2.57 1.75 -3.12 5.90 4.13 -1.26 -4.93 115.26 120.30 2dbk n ASN 14 Ca -0.15 1.11 -0.12 0.00 1.68 0.00 0.00 54.58 57.10 2dbk n ASN 14 Cb 0.57 -1.01 -0.02 0.00 -1.54 0.00 0.00 39.78 37.79 2dbk n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dbk n GLY 15 N 4.27 3.53 3.77 7.41 0.00 -1.26 -4.93 105.19 117.99 2dbk n GLY 15 Ca 0.30 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 2dbk n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 16 N -2.82 3.33 0.05 1.61 0.04 -1.26 -4.99 135.00 130.96 2dbk s PRO 16 Ca 0.05 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 2dbk s PRO 16 Cb -0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2dbk s PRO 16 CO 0.03 -0.87 0.67 0.08 0.04 0.00 0.00 177.00 176.95 2dbk s VAL 17 N -1.80 4.74 -0.12 -0.36 1.01 -1.25 -5.02 120.40 117.60 2dbk s VAL 17 Ca 0.72 1.42 0.01 0.00 0.00 0.00 0.00 61.98 64.14 2dbk s VAL 17 Cb -0.24 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2dbk s VAL 17 CO 0.28 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.31 2dbk s PHE 18 N -0.47 2.75 -0.14 5.22 0.40 -1.26 -3.00 117.98 121.48 2dbk s PHE 18 Ca 0.34 -0.67 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2dbk s PHE 18 Cb -0.20 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.56 2dbk s PHE 18 CO 0.21 -0.22 -0.10 0.00 0.70 0.00 0.00 175.22 175.81 2dbk s ALA 19 N 0.26 1.60 0.15 5.36 0.00 -1.09 -2.00 121.76 126.02 2dbk s ALA 19 Ca -0.10 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.85 2dbk s ALA 19 Cb -0.16 -1.01 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 2dbk s ALA 19 CO 0.06 -0.46 0.76 0.21 0.00 0.00 0.00 175.76 176.32 2dbk s LYS 20 N 1.59 4.53 -0.45 0.00 2.20 -0.74 -1.30 119.74 125.56 2dbk s LYS 20 Ca 0.04 1.12 -0.28 0.00 -0.36 0.00 0.00 55.97 56.49 2dbk s LYS 20 Cb -0.13 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 32.95 2dbk s LYS 20 CO -0.09 0.56 1.07 0.00 -0.36 0.00 0.00 175.35 176.53 2dbk s ALA 21 N -1.09 3.22 -0.02 3.13 0.00 -0.08 -1.38 121.76 125.54 2dbk s ALA 21 Ca 0.35 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.88 2dbk s ALA 21 Cb -0.23 -3.79 -0.23 0.00 0.00 0.00 0.00 23.12 18.87 2dbk s ALA 21 CO 0.25 -2.11 0.77 -0.84 0.00 0.00 0.00 175.76 173.84 2dbk h ILE 22 N 6.13 1.02 -4.10 0.00 3.07 -1.90 -0.97 117.51 120.75 2dbk h ILE 22 Ca -0.23 -2.81 -0.69 0.00 1.55 0.00 0.00 64.86 62.68 2dbk h ILE 22 Cb 1.06 2.54 -0.24 0.00 -0.27 0.00 0.00 36.82 39.92 2dbk h ILE 22 CO 1.09 0.64 -0.82 -1.10 -1.05 0.00 0.00 178.15 176.91 2dbk s GLN 23 N -2.62 2.10 0.15 0.16 -1.52 -1.24 -4.79 119.66 111.90 2dbk s GLN 23 Ca -0.06 -0.95 -0.31 0.00 -1.95 0.00 0.00 55.36 52.09 2dbk s GLN 23 Cb 0.08 -2.17 -0.10 0.00 -0.22 0.00 0.00 33.01 30.60 2dbk s GLN 23 CO 0.82 0.55 1.66 0.21 -0.25 0.00 0.00 175.29 178.28 2dbk s LYS 24 N -1.21 4.18 -0.29 2.91 2.20 -1.26 -4.55 119.74 121.73 2dbk s LYS 24 Ca 0.13 2.44 -0.08 0.00 -0.36 0.00 0.00 55.97 58.10 2dbk s LYS 24 Cb -0.10 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 2dbk s LYS 24 CO 0.03 -0.70 0.12 0.50 -0.36 0.00 0.00 175.35 174.94 2dbk s ARG 25 N 1.68 3.35 -0.53 4.03 3.00 -1.03 -4.98 118.95 124.47 2dbk s ARG 25 Ca 0.73 -0.70 -0.00 0.00 -1.00 0.00 0.00 55.73 54.76 2dbk s ARG 25 Cb -0.45 -3.47 0.14 0.00 0.00 0.00 0.00 34.95 31.17 2dbk s ARG 25 CO 0.32 -0.37 0.31 0.08 0.00 0.00 0.00 175.30 175.64 2dbk s VAL 26 N 1.59 3.18 0.76 7.11 1.01 -1.26 -2.88 120.40 129.91 2dbk s VAL 26 Ca 0.04 -2.83 -0.11 0.00 0.00 0.00 0.00 61.98 59.09 2dbk s VAL 26 Cb -0.17 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.12 2dbk s VAL 26 CO 0.05 -0.79 1.09 -2.16 0.00 0.00 0.00 175.10 173.29 2dbk s PRO 27 N 0.19 2.30 0.74 2.72 0.04 -1.26 -5.05 135.00 134.69 2dbk s PRO 27 Ca 0.15 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.28 2dbk s PRO 27 Cb -0.22 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.48 2dbk s PRO 27 CO -0.03 -1.62 1.09 0.00 0.04 0.00 0.00 177.00 176.49 2dbk h ALA 29 N -0.79 -0.05 -0.26 0.00 0.00 -2.00 -3.31 119.26 112.86 2dbk h ALA 29 Ca -0.45 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 53.62 2dbk h ALA 29 Cb 1.31 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2dbk h ALA 29 CO 0.63 0.50 -0.35 0.10 0.00 0.00 0.00 179.25 180.13 2dbk h TYR 30 N -0.07 0.67 -1.31 0.00 -0.00 -2.03 -3.39 116.97 110.83 2dbk h TYR 30 Ca -0.16 -0.18 -0.45 0.00 -0.00 0.00 0.00 58.73 57.95 2dbk h TYR 30 Cb 1.72 -0.15 -0.06 0.00 -0.00 0.00 0.00 36.73 38.24 2dbk h TYR 30 CO 0.16 0.84 1.10 0.34 -0.00 0.00 0.00 178.16 180.60 2dbk s ASP 31 N -6.83 5.64 0.21 0.10 -1.08 -1.25 -4.77 116.67 108.69 2dbk s ASP 31 Ca -0.07 -0.62 0.26 0.00 -0.52 0.00 0.00 52.55 51.59 2dbk s ASP 31 Cb 0.13 -2.56 0.87 0.00 -1.46 0.00 0.00 42.92 39.90 2dbk s ASP 31 CO 0.82 -2.24 1.77 2.29 0.52 0.00 0.00 175.17 178.33 2dbk n LYS 32 N 9.01 0.23 -0.27 4.34 0.00 -1.26 -2.77 118.16 127.43 2dbk n LYS 32 Ca 0.29 0.25 0.10 0.00 -0.00 0.00 0.00 58.31 58.95 2dbk n LYS 32 Cb 0.49 -1.80 0.27 0.00 -0.00 0.00 0.00 35.03 33.99 2dbk n LYS 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2dbk n THR 33 N -2.20 0.72 -3.29 0.58 -2.24 -1.26 -4.86 114.28 101.73 2dbk n THR 33 Ca 0.05 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 2dbk n THR 33 Cb 0.38 0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 2dbk n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dbk s ALA 34 N -1.28 3.47 0.05 6.98 0.00 -1.12 -0.05 121.76 129.80 2dbk s ALA 34 Ca 0.39 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 2dbk s ALA 34 Cb 0.21 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2dbk s ALA 34 CO 0.28 -1.27 0.98 -1.17 0.00 0.00 0.00 175.76 174.58 2dbk s LEU 35 N 2.28 4.42 -0.07 0.00 0.20 -1.24 -4.83 118.68 119.44 2dbk s LEU 35 Ca 0.16 1.73 -0.11 0.00 0.69 0.00 0.00 54.13 56.60 2dbk s LEU 35 Cb -0.16 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 2dbk s LEU 35 CO 0.13 -0.18 0.27 0.00 -0.29 0.00 0.00 176.35 176.28 2dbk s ALA 36 N 0.58 3.77 0.15 5.97 0.00 -1.26 -4.65 121.76 126.31 2dbk s ALA 36 Ca 0.50 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 2dbk s ALA 36 Cb -0.22 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2dbk s ALA 36 CO 0.29 0.49 0.05 -0.51 0.00 0.00 0.00 175.76 176.08 2dbk s LEU 37 N -0.86 1.82 -0.01 0.00 1.43 -1.14 -4.88 118.68 115.04 2dbk s LEU 37 Ca 0.19 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.11 2dbk s LEU 37 Cb -0.14 0.22 -0.01 0.00 0.03 0.00 0.00 46.19 46.29 2dbk s LEU 37 CO 0.08 -0.70 -0.13 -1.83 0.23 0.00 0.00 176.35 174.00 2dbk s GLU 38 N -4.02 1.13 -0.55 1.70 -1.05 -1.26 -2.46 118.70 112.18 2dbk s GLU 38 Ca 0.25 -0.48 -0.41 0.00 -0.15 0.00 0.00 54.97 54.19 2dbk s GLU 38 Cb 0.07 -1.08 -0.18 0.00 -0.44 0.00 0.00 34.13 32.50 2dbk s GLU 38 CO 0.03 0.27 2.23 0.28 0.95 0.00 0.00 175.26 179.02 2dbk n VAL 39 N 2.83 0.02 -0.04 1.83 0.31 -1.26 -1.99 118.33 120.03 2dbk n VAL 39 Ca -0.15 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2dbk n VAL 39 Cb 0.55 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 2dbk n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dbk n GLY 40 N 7.24 0.69 3.09 2.92 0.00 -0.37 -5.05 105.19 113.71 2dbk n GLY 40 Ca 0.55 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 2dbk n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dbk s ASP 41 N -1.41 1.49 -0.12 1.61 -1.08 -0.84 -4.95 116.67 111.37 2dbk s ASP 41 Ca 0.00 -0.23 -0.22 0.00 -0.52 0.00 0.00 52.55 51.57 2dbk s ASP 41 Cb 0.00 -0.16 -0.03 0.00 -1.46 0.00 0.00 42.92 41.26 2dbk s ASP 41 CO 0.00 0.15 0.66 -0.63 0.52 0.00 0.00 175.17 175.87 2dbk s ILE 42 N -0.31 5.05 -0.42 4.11 -1.09 -1.26 -0.90 121.20 126.37 2dbk s ILE 42 Ca 0.05 1.32 -0.05 0.00 -2.23 0.00 0.00 60.65 59.73 2dbk s ILE 42 Cb -0.05 -3.99 0.11 0.00 -1.58 0.00 0.00 42.46 36.95 2dbk s ILE 42 CO -0.00 0.20 0.24 -0.69 -1.23 0.00 0.00 174.94 173.46 2dbk s VAL 43 N 1.21 3.64 -0.52 2.92 1.01 -0.42 -4.83 120.40 123.41 2dbk s VAL 43 Ca 0.33 -1.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 2dbk s VAL 43 Cb -0.17 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2dbk s VAL 43 CO 0.14 -0.67 1.09 -0.75 0.00 0.00 0.00 175.10 174.91 2dbk s LYS 44 N 1.24 3.55 -0.08 2.72 2.20 -1.25 -2.69 119.74 125.44 2dbk s LYS 44 Ca 0.06 0.25 -0.02 0.00 -0.36 0.00 0.00 55.97 55.90 2dbk s LYS 44 Cb -0.24 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 2dbk s LYS 44 CO -0.02 -1.48 0.03 0.54 -0.36 0.00 0.00 175.35 174.06 2dbk s VAL 45 N 4.43 4.54 0.00 4.02 0.11 -1.16 -1.88 120.40 130.45 2dbk s VAL 45 Ca 0.42 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 2dbk s VAL 45 Cb -0.09 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2dbk s VAL 45 CO 0.27 0.58 0.00 0.35 -3.33 0.00 0.00 175.10 172.96 2dbk n THR 46 N 2.00 0.00 -4.04 5.04 -2.24 -1.18 -3.75 114.28 110.11 2dbk n THR 46 Ca -0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 2dbk n THR 46 Cb 0.54 -0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 2dbk n THR 46 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dbk s ARG 47 N -1.93 3.13 -0.24 -0.78 0.52 -1.22 -4.78 118.95 113.65 2dbk s ARG 47 Ca 0.00 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2dbk s ARG 47 Cb 0.00 -2.73 0.04 0.00 0.52 0.00 0.00 34.95 32.77 2dbk s ARG 47 CO 0.00 -0.21 -0.10 -1.64 0.02 0.00 0.00 175.30 173.37 2dbk s MET 48 N 1.36 2.65 0.47 3.54 -1.94 -1.26 -0.82 119.30 123.30 2dbk s MET 48 Ca 0.05 -1.08 -0.10 0.00 -1.71 0.00 0.00 55.69 52.85 2dbk s MET 48 Cb -0.13 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.78 2dbk s MET 48 CO -0.09 -0.43 0.84 -0.80 -0.01 0.00 0.00 175.02 174.53 2dbk s ASN 49 N 1.24 6.42 0.13 3.03 0.01 -1.25 -5.00 114.94 119.53 2dbk s ASN 49 Ca -0.02 1.18 -0.09 0.00 -0.71 0.00 0.00 52.86 53.21 2dbk s ASN 49 Cb -0.17 -2.35 -0.06 0.00 0.41 0.00 0.00 41.25 39.08 2dbk s ASN 49 CO -0.06 -0.55 1.39 0.40 -1.51 0.00 0.00 177.10 176.77 2dbk h ILE 50 N 0.61 1.29 -0.72 0.60 2.04 -2.00 -3.24 117.51 116.10 2dbk h ILE 50 Ca -0.47 -1.86 0.16 0.00 1.00 0.00 0.00 64.86 63.69 2dbk h ILE 50 Cb 1.19 1.81 -0.13 0.00 -0.74 0.00 0.00 36.82 38.96 2dbk h ILE 50 CO 0.63 0.59 -0.02 -0.55 0.00 0.00 0.00 178.15 178.80 2dbk h ASN 51 N 0.55 -0.37 0.00 1.72 7.08 -2.06 -3.46 115.58 119.05 2dbk h ASN 51 Ca -0.01 0.19 0.00 0.00 -3.08 0.00 0.00 56.30 53.40 2dbk h ASN 51 Cb 1.24 0.34 0.00 0.00 -2.08 0.00 0.00 38.32 37.82 2dbk h ASN 51 CO 0.13 -0.17 0.00 0.61 -2.08 0.00 0.00 177.43 175.92 2dbk n GLY 52 N -1.42 2.97 3.70 9.14 0.00 -1.22 -5.12 105.19 113.24 2dbk n GLY 52 Ca 0.12 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2dbk n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dbk s GLN 53 N 0.00 4.31 0.42 1.61 -1.52 -1.26 -4.68 119.66 118.54 2dbk s GLN 53 Ca 0.00 1.96 0.08 0.00 -1.95 0.00 0.00 55.36 55.45 2dbk s GLN 53 Cb 0.00 -3.48 -0.00 0.00 -0.22 0.00 0.00 33.01 29.30 2dbk s GLN 53 CO 0.00 -0.51 0.48 -1.58 -0.25 0.00 0.00 175.29 173.43 2dbk s TRP 54 N 2.00 2.74 -0.29 0.91 0.51 -1.26 -3.76 118.94 119.78 2dbk s TRP 54 Ca 0.63 -0.45 -0.01 0.00 -2.12 0.00 0.00 56.10 54.15 2dbk s TRP 54 Cb -0.32 -2.27 0.05 0.00 -0.81 0.00 0.00 33.47 30.11 2dbk s TRP 54 CO 0.27 -0.28 -0.03 -2.00 -0.51 0.00 0.00 176.95 174.40 2dbk s GLU 55 N -4.25 2.42 0.29 4.98 2.12 -0.00 -3.79 118.70 120.47 2dbk s GLU 55 Ca 0.52 -1.26 0.04 0.00 0.36 0.00 0.00 54.97 54.63 2dbk s GLU 55 Cb -0.07 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.17 2dbk s GLU 55 CO 0.30 -0.59 0.02 0.20 -0.54 0.00 0.00 175.26 174.66 2dbk s GLY 56 N 1.22 1.87 -0.18 -1.50 0.00 -1.25 -3.08 107.32 104.40 2dbk s GLY 56 Ca -0.06 -1.94 -0.00 0.00 0.00 0.00 0.00 44.72 42.72 2dbk s GLY 56 CO -0.02 -1.77 -0.15 1.85 0.00 0.00 0.00 173.10 173.02 2dbk s GLU 57 N -3.86 3.15 -0.03 2.90 -6.30 -0.79 -3.17 118.70 110.60 2dbk s GLU 57 Ca 0.33 -0.75 -0.01 0.00 -2.50 0.00 0.00 54.97 52.04 2dbk s GLU 57 Cb 0.07 -2.70 0.03 0.00 0.00 0.00 0.00 34.13 31.53 2dbk s GLU 57 CO 0.13 -0.14 0.06 0.08 0.02 0.00 0.00 175.26 175.41 2dbk s VAL 58 N 1.21 -0.06 -1.36 3.70 1.01 0.95 -3.79 120.40 122.05 2dbk s VAL 58 Ca 0.02 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2dbk s VAL 58 Cb -0.14 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.14 2dbk s VAL 58 CO -0.07 0.09 0.95 0.59 0.00 0.00 0.00 175.10 176.66 2dbk n ASN 59 N 4.24 -3.58 -3.62 3.32 3.02 -1.26 -1.86 115.26 115.52 2dbk n ASN 59 Ca -0.27 -0.70 -0.24 0.00 -0.03 0.00 0.00 54.58 53.34 2dbk n ASN 59 Cb 0.50 -4.45 0.08 0.00 -0.61 0.00 0.00 39.78 35.30 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dbk n GLY 60 N -1.63 -0.55 3.25 7.41 0.00 -1.26 -4.99 105.19 107.43 2dbk n GLY 60 Ca -0.13 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2dbk n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dbk s ARG 61 N -6.34 0.64 -0.14 1.61 0.52 -0.78 -5.15 118.95 109.31 2dbk s ARG 61 Ca 0.60 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 2dbk s ARG 61 Cb -0.27 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.52 2dbk s ARG 61 CO 0.74 -0.17 -0.13 0.15 0.02 0.00 0.00 175.30 175.91 2dbk s LYS 62 N -1.05 2.16 0.26 3.54 1.02 -1.26 -0.04 119.74 124.38 2dbk s LYS 62 Ca -0.11 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.22 2dbk s LYS 62 Cb -0.04 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2dbk s LYS 62 CO 0.04 -0.23 0.55 0.20 -0.92 0.00 0.00 175.35 174.99 2dbk s GLY 63 N 1.48 0.38 -0.22 -3.33 0.00 -1.19 -4.83 107.32 99.60 2dbk s GLY 63 Ca 0.04 -0.73 -0.25 0.00 0.00 0.00 0.00 44.72 43.78 2dbk s GLY 63 CO -0.09 -0.48 0.84 1.08 0.00 0.00 0.00 173.10 174.44 2dbk s LEU 64 N -3.00 4.11 0.02 0.66 1.43 0.92 -3.77 118.68 119.06 2dbk s LEU 64 Ca 0.19 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.47 2dbk s LEU 64 Cb -0.02 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2dbk s LEU 64 CO 0.09 -0.49 -0.24 0.72 0.23 0.00 0.00 176.35 176.66 2dbk s PHE 65 N 2.64 2.10 -0.15 0.29 -0.71 -1.25 -3.69 117.98 117.21 2dbk s PHE 65 Ca 0.36 -0.40 -0.29 0.00 -1.04 0.00 0.00 56.93 55.57 2dbk s PHE 65 Cb -0.16 -1.28 -0.03 0.00 -1.21 0.00 0.00 43.02 40.34 2dbk s PHE 65 CO 0.09 0.06 1.56 -1.25 -1.34 0.00 0.00 175.22 174.34 2dbk s PRO 66 N -1.00 4.01 0.58 1.99 0.04 -1.26 -4.09 135.00 135.28 2dbk s PRO 66 Ca 0.10 1.84 0.28 0.00 0.04 0.00 0.00 61.00 63.26 2dbk s PRO 66 Cb -0.09 -3.97 1.58 0.00 0.04 0.00 0.00 34.50 32.06 2dbk s PRO 66 CO 0.01 -1.03 2.04 0.27 0.04 0.00 0.00 177.00 178.33 2dbk h PHE 67 N 9.84 0.00 -0.21 0.56 -5.15 -1.90 0.72 116.94 120.80 2dbk h PHE 67 Ca -0.34 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.36 2dbk h PHE 67 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.31 2dbk h PHE 67 CO 0.88 0.00 -0.17 1.79 -2.00 0.00 0.00 178.31 178.82 2dbk h THR 68 N 0.00 1.22 -0.13 0.88 1.35 -1.97 -2.71 112.91 111.55 2dbk h THR 68 Ca 0.13 -1.00 -0.16 0.00 -0.55 0.00 0.00 66.41 64.83 2dbk h THR 68 Cb 0.71 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 2dbk h THR 68 CO -0.00 0.32 -0.61 0.45 -0.25 0.00 0.00 175.52 175.43 2dbk h HIS 69 N 0.34 0.58 -1.83 4.73 3.86 -1.24 -3.45 115.15 118.14 2dbk h HIS 69 Ca 0.06 -0.22 -0.43 0.00 -1.16 0.00 0.00 60.37 58.62 2dbk h HIS 69 Cb 0.49 -0.10 0.03 0.00 1.06 0.00 0.00 27.41 28.89 2dbk h HIS 69 CO 0.01 0.95 -0.18 0.14 0.86 0.00 0.00 177.93 179.70 2dbk s VAL 70 N -3.85 2.93 -0.08 2.45 -7.23 -1.02 -3.54 120.40 110.06 2dbk s VAL 70 Ca -0.06 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 2dbk s VAL 70 Cb 0.11 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 34.05 2dbk s VAL 70 CO 0.83 -0.01 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.78 2dbk s LYS 71 N -4.49 1.37 -0.03 4.82 2.20 -0.48 -4.88 119.74 118.25 2dbk s LYS 71 Ca 0.55 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 2dbk s LYS 71 Cb -0.10 -1.33 -0.05 0.00 -1.51 0.00 0.00 37.83 34.84 2dbk s LYS 71 CO 0.35 -0.13 1.47 0.42 -0.36 0.00 0.00 175.35 177.10 2dbk s ILE 72 N 1.22 3.69 -0.02 5.43 -1.09 -1.26 -1.80 121.20 127.37 2dbk s ILE 72 Ca -0.05 0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 59.20 2dbk s ILE 72 Cb -0.14 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 2dbk s ILE 72 CO -0.02 -0.04 0.36 0.72 -1.23 0.00 0.00 174.94 174.73 2dbk s PHE 73 N 3.01 -0.24 -0.51 3.97 -0.71 -0.85 -4.99 117.98 117.66 2dbk s PHE 73 Ca 0.66 0.37 -0.18 0.00 -1.04 0.00 0.00 56.93 56.74 2dbk s PHE 73 Cb -0.31 0.14 0.07 0.00 -1.21 0.00 0.00 43.02 41.70 2dbk s PHE 73 CO 0.26 -0.42 0.60 0.16 -1.34 0.00 0.00 175.22 174.48 2dbk s ASP 74 N -1.32 6.21 0.00 1.98 -4.77 -1.26 -4.34 116.67 113.16 2dbk s ASP 74 Ca -0.13 -1.04 0.13 0.00 -3.30 0.00 0.00 52.55 48.20 2dbk s ASP 74 Cb -0.04 -2.27 0.77 0.00 -1.09 0.00 0.00 42.92 40.28 2dbk s ASP 74 CO 0.05 -0.88 1.19 -0.81 0.70 0.00 0.00 175.17 175.42 2dbk n PRO 75 N 6.02 0.49 -3.24 2.11 -0.04 -1.26 -4.85 135.00 134.23 2dbk n PRO 75 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 2dbk n PRO 75 Cb 0.45 -1.41 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2dbk n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dbk n GLN 76 N -0.91 -4.88 -5.25 0.54 6.02 -1.26 -5.02 117.38 106.61 2dbk n GLN 76 Ca 0.10 0.78 -0.32 0.00 -0.01 0.00 0.00 57.00 57.55 2dbk n GLN 76 Cb 0.04 -5.52 -0.16 0.00 1.02 0.00 0.00 30.24 25.62 2dbk n GLN 76 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2dbk s ASN 77 N -3.98 3.12 0.00 1.08 -0.87 -1.26 -5.00 114.94 108.03 2dbk s ASN 77 Ca 0.12 -0.49 0.15 0.00 -1.57 0.00 0.00 52.86 51.07 2dbk s ASN 77 Cb -0.02 -0.83 0.84 0.00 -0.02 0.00 0.00 41.25 41.22 2dbk s ASN 77 CO 0.66 0.25 1.38 -0.81 -2.57 0.00 0.00 177.10 176.02 2dbk n PRO 78 N 2.90 0.34 -1.15 -0.60 -0.04 -1.26 -4.87 135.00 130.33 2dbk n PRO 78 Ca -0.17 0.08 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 2dbk n PRO 78 Cb 0.52 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2dbk n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dbk n ASP 79 N -1.15 -4.23 -3.63 3.54 2.03 -1.26 -5.01 116.55 106.84 2dbk n ASP 79 Ca 0.09 0.46 -0.04 0.00 0.52 0.00 0.00 54.79 55.83 2dbk n ASP 79 Cb 0.09 -0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 39.55 2dbk n ASP 79 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2dbk s GLU 80 N -1.64 0.53 0.94 -0.67 4.04 -1.26 -4.63 118.70 116.00 2dbk s GLU 80 Ca 0.52 0.93 -0.11 0.00 0.04 0.00 0.00 54.97 56.35 2dbk s GLU 80 Cb -0.36 0.15 0.15 0.00 0.02 0.00 0.00 34.13 34.09 2dbk s GLU 80 CO 0.71 -0.12 1.09 1.21 -1.84 0.00 0.00 175.26 176.32 2dbk s ASN 81 N 1.57 3.01 -0.03 0.83 3.84 -1.26 -5.00 114.94 117.90 2dbk s ASN 81 Ca -0.09 1.61 -0.02 0.00 0.21 0.00 0.00 52.86 54.57 2dbk s ASN 81 Cb -0.05 -2.26 -0.01 0.00 -0.55 0.00 0.00 41.25 38.38 2dbk s ASN 81 CO -0.17 -2.95 -0.04 1.21 -2.79 0.00 0.00 177.10 172.36 2dbk n GLU 82 N -4.10 0.07 -0.30 0.43 4.07 -1.26 -4.74 120.64 114.81 2dbk n GLU 82 Ca 0.07 0.03 0.09 0.00 -0.06 0.00 0.00 57.16 57.29 2dbk n GLU 82 Cb 0.54 -0.61 0.18 0.00 -0.06 0.00 0.00 31.44 31.49 2dbk n GLU 82 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2dbk n SER 83 N -3.16 -0.21 -0.81 4.31 7.64 -1.26 -4.86 113.62 115.27 2dbk n SER 83 Ca -0.06 1.45 0.00 0.00 1.01 0.00 0.00 58.87 61.27 2dbk n SER 83 Cb 0.53 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2dbk n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbk n GLY 84 N -1.48 0.00 0.00 0.23 0.00 -1.26 -4.93 105.19 97.74 2dbk n GLY 84 Ca 0.16 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2dbk n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbk n PRO 85 N -0.33 0.45 -0.33 1.61 -0.04 -1.26 -3.88 135.00 131.22 2dbk n PRO 85 Ca 0.00 0.02 0.16 0.00 -0.04 0.00 0.00 63.50 63.64 2dbk n PRO 85 Cb 0.05 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.33 2dbk n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dbk n SER 86 N -1.04 -0.06 -3.70 3.54 2.88 -1.26 -4.33 113.62 109.65 2dbk n SER 86 Ca 0.11 1.62 -0.11 0.00 -1.33 0.00 0.00 58.87 59.16 2dbk n SER 86 Cb 0.06 -0.61 -0.12 0.00 -0.75 0.00 0.00 64.21 62.79 2dbk n SER 86 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbk s SER 87 N -4.96 -0.34 0.00 -3.46 1.04 -1.25 -5.25 113.70 99.49 2dbk s SER 87 Ca -0.12 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dbk s SER 87 Cb 0.29 0.64 0.00 0.00 0.10 0.00 0.00 66.02 67.04 2dbk s SER 87 CO 0.75 -0.19 0.27 0.61 0.98 0.00 0.00 173.24 175.66