#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbk n SER 2 N 0.00 0.85 -4.47 1.61 3.41 -1.26 -4.89 113.62 108.87 2dbk n SER 2 Ca 0.00 0.84 -0.35 0.00 -0.26 0.00 0.00 58.87 59.10 2dbk n SER 2 Cb 0.00 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.18 2dbk n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dbk s SER 3 N 2.39 5.01 0.00 4.04 1.04 -1.26 -5.08 113.70 119.84 2dbk s SER 3 Ca 0.78 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2dbk s SER 3 Cb -1.10 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 63.16 2dbk s SER 3 CO 0.59 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2dbk n GLY 4 N 4.26 5.57 3.74 7.32 0.00 -1.26 -5.13 105.19 119.69 2dbk n GLY 4 Ca -0.17 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 2dbk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbk s SER 5 N 0.40 7.54 -0.10 1.61 0.01 -1.26 -4.96 113.70 116.94 2dbk s SER 5 Ca 0.00 1.95 -0.04 0.00 1.31 0.00 0.00 55.95 59.16 2dbk s SER 5 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2dbk s SER 5 CO 0.00 0.04 -0.12 -1.20 0.41 0.00 0.00 173.24 172.36 2dbk n SER 6 N 1.91 1.03 0.00 2.44 7.64 -1.26 -5.14 113.62 120.24 2dbk n SER 6 Ca -0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2dbk n SER 6 Cb 0.47 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2dbk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbk n GLY 7 N 2.45 4.58 3.65 0.23 0.00 -1.26 -5.15 105.19 109.69 2dbk n GLY 7 Ca -0.19 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 2dbk n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 8 N -3.77 -0.13 0.71 1.61 0.04 -1.26 -4.97 135.00 127.24 2dbk s PRO 8 Ca 0.00 0.33 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 2dbk s PRO 8 Cb 0.00 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 2dbk s PRO 8 CO 0.00 -3.07 0.32 1.28 0.04 0.00 0.00 177.00 175.58 2dbk n LEU 9 N -4.38 -0.41 -4.77 -3.56 7.99 -1.26 -4.91 117.00 105.71 2dbk n LEU 9 Ca 0.07 0.57 -0.37 0.00 -0.01 0.00 0.00 56.01 56.27 2dbk n LEU 9 Cb 0.58 -1.12 -0.01 0.00 -0.11 0.00 0.00 43.42 42.76 2dbk n LEU 9 CO 0.54 -3.60 0.84 -2.16 -1.51 0.00 0.00 177.39 171.50 2dbk s PRO 10 N -2.42 3.84 -0.75 3.23 0.04 -1.26 -4.89 135.00 132.80 2dbk s PRO 10 Ca 0.62 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 63.21 2dbk s PRO 10 Cb -0.36 -2.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.58 2dbk s PRO 10 CO 0.61 -0.49 2.32 -1.12 0.04 0.00 0.00 177.00 178.37 2dbk s SER 11 N -1.28 4.20 0.38 6.66 0.01 -1.26 -4.89 113.70 117.53 2dbk s SER 11 Ca 0.62 0.13 0.05 0.00 1.31 0.00 0.00 55.95 58.05 2dbk s SER 11 Cb -0.29 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.33 2dbk s SER 11 CO 0.36 -3.51 0.04 0.42 0.41 0.00 0.00 173.24 170.96 2dbk s THR 12 N 13.52 1.45 -0.21 1.44 -4.23 -1.26 -5.14 115.64 121.21 2dbk s THR 12 Ca 0.89 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.36 2dbk s THR 12 Cb -0.13 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 71.02 2dbk s THR 12 CO 0.10 0.00 0.10 -1.10 -0.54 0.00 0.00 174.62 173.18 2dbk s GLN 13 N -3.81 0.14 0.17 3.99 -1.52 -1.26 -5.14 119.66 112.24 2dbk s GLN 13 Ca 0.32 -0.25 0.09 0.00 -1.95 0.00 0.00 55.36 53.57 2dbk s GLN 13 Cb 0.08 -1.64 -0.04 0.00 -0.22 0.00 0.00 33.01 31.18 2dbk s GLN 13 CO 0.15 -0.78 -0.20 -0.80 -0.25 0.00 0.00 175.29 173.41 2dbk s ASN 14 N 2.10 2.90 0.20 5.90 0.01 -1.26 -5.14 114.94 119.65 2dbk s ASN 14 Ca 0.04 -0.87 -0.15 0.00 -0.71 0.00 0.00 52.86 51.18 2dbk s ASN 14 Cb -0.16 -0.19 -0.08 0.00 0.41 0.00 0.00 41.25 41.24 2dbk s ASN 14 CO -0.18 0.01 0.61 -0.83 -1.51 0.00 0.00 177.10 175.20 2dbk s GLY 15 N -2.68 2.45 0.60 0.66 0.00 -1.26 -5.06 107.32 102.03 2dbk s GLY 15 Ca 0.17 -0.06 -0.17 0.00 0.00 0.00 0.00 44.72 44.66 2dbk s GLY 15 CO 0.08 0.21 1.12 2.56 0.00 0.00 0.00 173.10 177.06 2dbk s PRO 16 N -2.21 3.08 -0.22 2.90 0.04 -1.26 -5.02 135.00 132.30 2dbk s PRO 16 Ca 0.42 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 2dbk s PRO 16 Cb -0.14 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2dbk s PRO 16 CO 0.20 -1.05 0.28 0.08 0.04 0.00 0.00 177.00 176.55 2dbk s VAL 17 N -2.05 5.28 -0.11 -0.36 1.01 -1.22 -5.01 120.40 117.94 2dbk s VAL 17 Ca 0.70 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.97 2dbk s VAL 17 Cb -0.22 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2dbk s VAL 17 CO 0.34 0.30 0.36 -0.36 0.00 0.00 0.00 175.10 175.73 2dbk s PHE 18 N 1.20 3.55 -0.01 5.22 0.08 -1.26 -3.65 117.98 123.12 2dbk s PHE 18 Ca 0.13 0.76 -0.00 0.00 0.12 0.00 0.00 56.93 57.94 2dbk s PHE 18 Cb -0.14 -2.35 0.01 0.00 -0.57 0.00 0.00 43.02 39.97 2dbk s PHE 18 CO 0.06 0.36 0.03 0.00 -0.10 0.00 0.00 175.22 175.57 2dbk s ALA 19 N 0.01 -0.01 -0.10 5.36 0.00 -1.24 -3.84 121.76 121.93 2dbk s ALA 19 Ca 0.21 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 2dbk s ALA 19 Cb -0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2dbk s ALA 19 CO 0.08 -0.04 0.17 0.21 0.00 0.00 0.00 175.76 176.18 2dbk s LYS 20 N 0.37 3.50 -0.54 0.00 2.20 -1.12 -0.91 119.74 123.23 2dbk s LYS 20 Ca -0.03 -0.07 -0.28 0.00 -0.36 0.00 0.00 55.97 55.23 2dbk s LYS 20 Cb -0.04 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2dbk s LYS 20 CO -0.01 0.77 1.20 0.00 -0.36 0.00 0.00 175.35 176.95 2dbk s ALA 21 N -1.05 3.04 -1.08 3.13 0.00 -0.21 -1.80 121.76 123.78 2dbk s ALA 21 Ca 0.16 -0.67 0.27 0.00 0.00 0.00 0.00 51.96 51.73 2dbk s ALA 21 Cb -0.13 -3.99 0.93 0.00 0.00 0.00 0.00 23.12 19.93 2dbk s ALA 21 CO 0.06 -2.54 1.71 0.44 0.00 0.00 0.00 175.76 175.42 2dbk n ILE 22 N 6.77 0.00 -4.24 0.00 -5.35 -1.15 -1.47 119.36 113.92 2dbk n ILE 22 Ca 0.10 -0.01 -0.13 0.00 -0.27 0.00 0.00 62.75 62.44 2dbk n ILE 22 Cb 0.49 -0.14 -0.10 0.00 -1.74 0.00 0.00 39.64 38.15 2dbk n ILE 22 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2dbk s GLN 23 N -2.93 1.09 -0.37 6.28 -0.44 -1.24 -4.85 119.66 117.19 2dbk s GLN 23 Ca 0.15 -1.51 -0.23 0.00 -2.50 0.00 0.00 55.36 51.27 2dbk s GLN 23 Cb 0.19 -0.32 0.01 0.00 -1.64 0.00 0.00 33.01 31.25 2dbk s GLN 23 CO 0.59 -0.09 0.76 0.21 0.50 0.00 0.00 175.29 177.26 2dbk s LYS 24 N -3.88 3.71 -0.22 1.67 2.20 -1.26 -4.13 119.74 117.82 2dbk s LYS 24 Ca 0.22 0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 56.03 2dbk s LYS 24 Cb 0.06 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2dbk s LYS 24 CO 0.03 -0.86 -0.07 0.50 -0.36 0.00 0.00 175.35 174.59 2dbk s ARG 25 N 3.06 3.21 -0.06 4.03 6.06 0.10 -4.99 118.95 130.36 2dbk s ARG 25 Ca 0.30 -0.73 0.04 0.00 -2.50 0.00 0.00 55.73 52.85 2dbk s ARG 25 Cb -0.13 -2.95 -0.00 0.00 0.06 0.00 0.00 34.95 31.93 2dbk s ARG 25 CO 0.17 -0.25 -0.19 0.14 -2.50 0.00 0.00 175.30 172.67 2dbk s VAL 26 N 1.42 1.63 0.18 7.11 -7.23 -1.26 0.19 120.40 122.44 2dbk s VAL 26 Ca 0.05 -0.82 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 2dbk s VAL 26 Cb -0.15 -1.41 -0.09 0.00 0.56 0.00 0.00 36.38 35.30 2dbk s VAL 26 CO -0.05 0.46 1.31 -2.16 -0.31 0.00 0.00 175.10 174.36 2dbk s PRO 27 N 0.11 4.38 0.80 4.82 0.04 -1.26 -4.99 135.00 138.90 2dbk s PRO 27 Ca -0.07 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 2dbk s PRO 27 Cb -0.13 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.27 2dbk s PRO 27 CO 0.04 -0.27 1.11 0.00 0.04 0.00 0.00 177.00 177.91 2dbk h ALA 29 N -0.83 2.93 -0.56 0.00 0.00 -2.04 0.63 119.26 119.39 2dbk h ALA 29 Ca -0.46 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.05 2dbk h ALA 29 Cb 1.30 0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.95 2dbk h ALA 29 CO 0.45 -1.36 -0.15 2.48 0.00 0.00 0.00 179.25 180.68 2dbk n TYR 30 N -3.99 1.88 -3.79 0.00 4.11 -1.26 -4.90 117.16 109.19 2dbk n TYR 30 Ca 0.22 -2.01 -0.30 0.00 -0.00 0.00 0.00 57.90 55.82 2dbk n TYR 30 Cb 1.17 -0.60 -0.15 0.00 -0.00 0.00 0.00 39.34 39.76 2dbk n TYR 30 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2dbk s ASP 31 N -2.74 3.92 -0.16 9.48 -1.08 0.22 -4.97 116.67 121.34 2dbk s ASP 31 Ca 0.50 -1.51 -0.04 0.00 -0.52 0.00 0.00 52.55 50.97 2dbk s ASP 31 Cb 0.42 -0.95 -0.23 0.00 -1.46 0.00 0.00 42.92 40.70 2dbk s ASP 31 CO 0.01 -0.37 0.18 0.29 0.52 0.00 0.00 175.17 175.80 2dbk n LYS 32 N 4.79 0.72 0.24 4.34 4.01 -1.26 -4.19 118.16 126.81 2dbk n LYS 32 Ca -0.04 0.23 0.09 0.00 -0.51 0.00 0.00 58.31 58.08 2dbk n LYS 32 Cb 0.43 -1.65 0.59 0.00 -0.51 0.00 0.00 35.03 33.89 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2dbk h THR 33 N 0.04 0.85 -2.73 -0.18 1.35 -1.93 -3.42 112.91 106.88 2dbk h THR 33 Ca -0.47 -0.71 -0.55 0.00 -0.55 0.00 0.00 66.41 64.13 2dbk h THR 33 Cb 1.99 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 2dbk h THR 33 CO 0.03 0.18 0.99 0.00 -0.25 0.00 0.00 175.52 176.47 2dbk s ALA 34 N -4.30 3.62 0.12 6.62 0.00 -1.26 0.36 121.76 126.93 2dbk s ALA 34 Ca -0.03 0.91 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 2dbk s ALA 34 Cb 0.14 -3.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 2dbk s ALA 34 CO 0.64 -1.20 0.73 -1.17 0.00 0.00 0.00 175.76 174.77 2dbk s LEU 35 N 3.32 4.55 -0.16 0.00 0.20 -1.14 -4.50 118.68 120.94 2dbk s LEU 35 Ca 0.69 1.53 -0.14 0.00 0.69 0.00 0.00 54.13 56.89 2dbk s LEU 35 Cb -0.33 -3.20 -0.05 0.00 -0.43 0.00 0.00 46.19 42.18 2dbk s LEU 35 CO 0.28 0.18 0.31 0.00 -0.29 0.00 0.00 176.35 176.82 2dbk s ALA 36 N -0.88 3.58 0.07 5.97 0.00 -1.26 -4.56 121.76 124.67 2dbk s ALA 36 Ca 0.35 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.90 2dbk s ALA 36 Cb -0.22 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 2dbk s ALA 36 CO 0.24 0.07 -0.07 -0.51 0.00 0.00 0.00 175.76 175.49 2dbk s LEU 37 N 0.51 2.39 0.36 0.00 1.43 0.13 -4.99 118.68 118.51 2dbk s LEU 37 Ca 0.17 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2dbk s LEU 37 Cb -0.13 -0.11 -0.07 0.00 0.03 0.00 0.00 46.19 45.91 2dbk s LEU 37 CO 0.04 -0.34 -0.02 -1.83 0.23 0.00 0.00 176.35 174.43 2dbk s GLU 38 N -2.77 1.81 -0.30 1.70 -1.05 -1.26 -0.73 118.70 116.10 2dbk s GLU 38 Ca 0.01 -1.98 -0.28 0.00 -0.15 0.00 0.00 54.97 52.57 2dbk s GLU 38 Cb -0.02 -1.46 -0.03 0.00 -0.44 0.00 0.00 34.13 32.17 2dbk s GLU 38 CO -0.02 -0.00 2.01 0.08 0.95 0.00 0.00 175.26 178.27 2dbk s VAL 39 N -2.82 3.25 0.00 1.83 1.01 -1.26 -2.84 120.40 119.58 2dbk s VAL 39 Ca 0.34 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2dbk s VAL 39 Cb 0.07 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2dbk s VAL 39 CO 0.16 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2dbk n GLY 40 N 5.60 0.97 3.22 4.51 0.00 -0.54 -5.04 105.19 113.91 2dbk n GLY 40 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.91 2.32 -0.35 1.61 -1.08 -1.13 -4.95 116.67 111.19 2dbk s ASP 41 Ca 0.00 -0.46 -0.15 0.00 -0.52 0.00 0.00 52.55 51.42 2dbk s ASP 41 Cb 0.00 -0.21 -0.01 0.00 -1.46 0.00 0.00 42.92 41.24 2dbk s ASP 41 CO 0.00 0.17 0.37 -0.63 0.52 0.00 0.00 175.17 175.60 2dbk s ILE 42 N -0.68 5.16 -0.55 4.11 -1.09 -1.26 -1.05 121.20 125.84 2dbk s ILE 42 Ca 0.07 -0.02 -0.18 0.00 -2.23 0.00 0.00 60.65 58.30 2dbk s ILE 42 Cb -0.08 -3.85 0.10 0.00 -1.58 0.00 0.00 42.46 37.05 2dbk s ILE 42 CO 0.01 -0.14 0.59 -0.69 -1.23 0.00 0.00 174.94 173.48 2dbk s VAL 43 N 2.03 4.99 -0.53 2.92 1.01 -0.09 -4.86 120.40 125.87 2dbk s VAL 43 Ca 0.12 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 2dbk s VAL 43 Cb -0.17 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.88 2dbk s VAL 43 CO 0.12 -0.93 1.15 -0.75 0.00 0.00 0.00 175.10 174.69 2dbk s LYS 44 N 2.24 3.59 -0.09 2.72 2.20 -1.25 -3.61 119.74 125.54 2dbk s LYS 44 Ca 0.09 0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 2dbk s LYS 44 Cb -0.25 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2dbk s LYS 44 CO 0.06 -1.53 -0.04 0.54 -0.36 0.00 0.00 175.35 174.02 2dbk s VAL 45 N 4.65 3.93 -0.06 4.02 0.11 -1.24 -2.21 120.40 129.60 2dbk s VAL 45 Ca 0.44 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2dbk s VAL 45 Cb -0.08 -2.65 -0.06 0.00 -1.53 0.00 0.00 36.38 32.06 2dbk s VAL 45 CO 0.28 0.58 -0.01 0.35 -3.33 0.00 0.00 175.10 172.96 2dbk n THR 46 N 2.48 0.41 -3.78 5.04 -2.24 -1.20 -3.37 114.28 111.62 2dbk n THR 46 Ca -0.18 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 2dbk n THR 46 Cb 0.53 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.14 2.35 -0.27 -0.78 1.81 -1.25 -4.97 118.95 113.69 2dbk s ARG 47 Ca -0.06 -1.48 -0.10 0.00 -1.72 0.00 0.00 55.73 52.38 2dbk s ARG 47 Cb 0.02 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 2dbk s ARG 47 CO 0.21 -0.85 0.16 -1.64 -0.68 0.00 0.00 175.30 172.50 2dbk s MET 48 N 1.27 3.83 -0.11 3.54 -1.94 -1.26 -1.46 119.30 123.17 2dbk s MET 48 Ca 0.02 -0.39 -0.19 0.00 -1.71 0.00 0.00 55.69 53.41 2dbk s MET 48 Cb -0.21 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.02 2dbk s MET 48 CO -0.01 -0.20 0.53 -0.80 -0.01 0.00 0.00 175.02 174.53 2dbk s ASN 49 N 1.71 6.74 0.35 3.03 0.01 -1.23 -4.96 114.94 120.59 2dbk s ASN 49 Ca 0.07 0.89 0.10 0.00 -0.71 0.00 0.00 52.86 53.20 2dbk s ASN 49 Cb -0.16 -2.31 0.85 0.00 0.41 0.00 0.00 41.25 40.04 2dbk s ASN 49 CO 0.09 -0.03 1.82 0.40 -1.51 0.00 0.00 177.10 177.87 2dbk h ILE 50 N 4.75 0.74 -0.74 0.60 2.04 -1.98 -1.79 117.51 121.13 2dbk h ILE 50 Ca -0.41 -0.23 0.14 0.00 1.00 0.00 0.00 64.86 65.37 2dbk h ILE 50 Cb 1.18 0.02 -0.14 0.00 -0.74 0.00 0.00 36.82 37.15 2dbk h ILE 50 CO 0.76 0.12 -0.25 -0.55 0.00 0.00 0.00 178.15 178.22 2dbk h ASN 51 N 0.66 -0.92 0.00 1.72 -1.07 -2.05 -3.46 115.58 110.47 2dbk h ASN 51 Ca 0.51 0.24 0.00 0.00 0.07 0.00 0.00 56.30 57.12 2dbk h ASN 51 Cb 0.93 0.53 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 2dbk h ASN 51 CO -0.27 -0.27 0.00 0.61 0.07 0.00 0.00 177.43 177.57 2dbk n GLY 52 N -1.48 1.16 3.74 9.14 0.00 -0.67 -5.13 105.19 111.95 2dbk n GLY 52 Ca 0.09 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 4.45 0.35 1.61 -0.21 -1.26 -4.58 119.66 120.02 2dbk s GLN 53 Ca 0.00 1.96 0.08 0.00 0.02 0.00 0.00 55.36 57.42 2dbk s GLN 53 Cb 0.00 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.74 2dbk s GLN 53 CO 0.00 -0.16 0.08 -1.58 -2.12 0.00 0.00 175.29 171.52 2dbk s TRP 54 N -0.02 2.62 -0.40 0.91 0.51 -1.25 -3.50 118.94 117.80 2dbk s TRP 54 Ca 0.54 -0.44 -0.08 0.00 -2.12 0.00 0.00 56.10 54.01 2dbk s TRP 54 Cb -0.34 -1.61 0.08 0.00 -0.81 0.00 0.00 33.47 30.78 2dbk s TRP 54 CO 0.38 0.39 0.22 -2.00 -0.51 0.00 0.00 176.95 175.43 2dbk s GLU 55 N -3.79 2.53 0.08 4.98 2.12 -0.54 -3.61 118.70 120.47 2dbk s GLU 55 Ca 0.37 -1.46 0.06 0.00 0.36 0.00 0.00 54.97 54.30 2dbk s GLU 55 Cb -0.00 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 2dbk s GLU 55 CO 0.21 -0.92 -0.16 0.20 -0.54 0.00 0.00 175.26 174.06 2dbk s GLY 56 N 1.96 0.97 -0.15 -1.50 0.00 -1.22 -3.21 107.32 104.16 2dbk s GLY 56 Ca 0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2dbk s GLY 56 CO 0.01 -1.10 -0.04 1.85 0.00 0.00 0.00 173.10 173.83 2dbk s GLU 57 N -1.83 3.67 -0.04 2.90 -6.30 -0.94 -2.06 118.70 114.11 2dbk s GLU 57 Ca 0.01 -0.52 -0.01 0.00 -2.50 0.00 0.00 54.97 51.95 2dbk s GLU 57 Cb -0.10 -2.92 0.03 0.00 0.00 0.00 0.00 34.13 31.15 2dbk s GLU 57 CO 0.03 0.25 0.06 0.08 0.02 0.00 0.00 175.26 175.70 2dbk s VAL 58 N 0.35 -0.10 -1.32 3.70 1.01 -0.02 -3.84 120.40 120.18 2dbk s VAL 58 Ca -0.04 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2dbk s VAL 58 Cb -0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 2dbk s VAL 58 CO 0.03 0.14 0.62 0.59 0.00 0.00 0.00 175.10 176.47 2dbk n ASN 59 N 4.82 -1.35 -3.60 3.32 3.02 -1.26 -1.67 115.26 118.54 2dbk n ASN 59 Ca -0.14 -0.90 -0.23 0.00 -0.03 0.00 0.00 54.58 53.28 2dbk n ASN 59 Cb 0.50 -3.68 0.07 0.00 -0.61 0.00 0.00 39.78 36.07 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 -1.72 -0.49 2.99 7.41 0.00 -1.26 -4.99 105.19 107.14 2dbk n GLY 60 Ca -0.28 0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.11 0.43 -0.27 1.61 0.52 -0.67 -5.14 118.95 109.33 2dbk s ARG 61 Ca 0.43 0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 56.16 2dbk s ARG 61 Cb -0.19 -0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.10 2dbk s ARG 61 CO 0.74 -0.70 0.18 -1.59 0.02 0.00 0.00 175.30 173.95 2dbk s LYS 62 N 2.65 3.98 0.25 3.54 -2.85 -1.26 -0.84 119.74 125.21 2dbk s LYS 62 Ca 0.15 -0.31 -0.14 0.00 -1.00 0.00 0.00 55.97 54.67 2dbk s LYS 62 Cb -0.15 -3.63 0.00 0.00 -2.06 0.00 0.00 37.83 32.00 2dbk s LYS 62 CO -0.20 -0.11 0.52 0.20 0.10 0.00 0.00 175.35 175.86 2dbk s GLY 63 N 1.56 0.40 -0.06 0.59 0.00 -0.87 -4.85 107.32 104.09 2dbk s GLY 63 Ca 0.07 -0.75 -0.26 0.00 0.00 0.00 0.00 44.72 43.78 2dbk s GLY 63 CO 0.09 -0.52 0.82 1.08 0.00 0.00 0.00 173.10 174.57 2dbk s LEU 64 N -2.99 4.31 0.02 0.66 1.43 0.16 -3.41 118.68 118.86 2dbk s LEU 64 Ca 0.20 1.35 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 2dbk s LEU 64 Cb -0.02 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 2dbk s LEU 64 CO 0.08 -0.22 -0.15 0.72 0.23 0.00 0.00 176.35 177.01 2dbk s PHE 65 N 1.12 1.35 0.34 0.29 -0.71 -1.24 -2.89 117.98 116.25 2dbk s PHE 65 Ca 0.43 -0.32 -0.28 0.00 -1.04 0.00 0.00 56.93 55.71 2dbk s PHE 65 Cb -0.19 -0.82 -0.10 0.00 -1.21 0.00 0.00 43.02 40.71 2dbk s PHE 65 CO 0.20 0.03 1.21 -1.25 -1.34 0.00 0.00 175.22 174.08 2dbk s PRO 66 N -0.90 4.34 0.42 1.99 0.04 -1.26 -3.87 135.00 135.76 2dbk s PRO 66 Ca 0.04 2.00 0.23 0.00 0.04 0.00 0.00 61.00 63.31 2dbk s PRO 66 Cb -0.07 -2.99 0.73 0.00 0.04 0.00 0.00 34.50 32.21 2dbk s PRO 66 CO 0.01 -0.12 1.74 0.27 0.04 0.00 0.00 177.00 178.94 2dbk h PHE 67 N 3.28 0.00 0.00 0.56 -0.00 -1.91 -2.87 116.94 116.00 2dbk h PHE 67 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2dbk h PHE 67 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.18 2dbk h PHE 67 CO 0.56 0.22 0.00 0.25 -0.00 0.00 0.00 178.31 179.35 2dbk n THR 68 N -3.29 0.00 -0.04 0.88 -2.24 -1.26 -2.95 114.28 105.39 2dbk n THR 68 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 2dbk n THR 68 Cb 0.49 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 2dbk n THR 68 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2dbk n HIS 69 N -0.59 0.00 -4.15 4.78 8.25 -1.08 -5.03 115.22 117.40 2dbk n HIS 69 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.27 2dbk n HIS 69 Cb 0.02 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 30.70 2dbk n HIS 69 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2dbk s VAL 70 N -2.26 4.22 -0.12 1.59 -7.23 -1.15 -2.91 120.40 112.54 2dbk s VAL 70 Ca -0.04 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 2dbk s VAL 70 Cb 0.03 -3.24 0.01 0.00 0.56 0.00 0.00 36.38 33.73 2dbk s VAL 70 CO 0.34 -0.29 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.87 2dbk s LYS 71 N -3.60 2.94 -0.09 4.82 2.47 -0.75 -4.92 119.74 120.62 2dbk s LYS 71 Ca 0.32 -0.83 -0.30 0.00 -1.56 0.00 0.00 55.97 53.60 2dbk s LYS 71 Cb -0.08 -2.30 -0.03 0.00 -1.46 0.00 0.00 37.83 33.96 2dbk s LYS 71 CO 0.23 0.08 1.25 0.42 0.16 0.00 0.00 175.35 177.48 2dbk s ILE 72 N 0.59 4.21 0.36 5.43 -1.09 -1.26 -2.80 121.20 126.63 2dbk s ILE 72 Ca -0.13 1.51 0.02 0.00 -2.23 0.00 0.00 60.65 59.82 2dbk s ILE 72 Cb -0.17 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.73 2dbk s ILE 72 CO 0.03 -0.05 0.42 0.72 -1.23 0.00 0.00 174.94 174.84 2dbk s PHE 73 N 2.68 1.38 -0.90 3.97 -0.71 -1.25 -5.04 117.98 118.11 2dbk s PHE 73 Ca 0.56 -1.47 -0.05 0.00 -1.04 0.00 0.00 56.93 54.93 2dbk s PHE 73 Cb -0.24 -0.31 0.23 0.00 -1.21 0.00 0.00 43.02 41.48 2dbk s PHE 73 CO 0.20 -1.08 0.81 0.34 -1.34 0.00 0.00 175.22 174.14 2dbk s ASP 74 N -3.31 6.29 0.00 1.98 2.15 -1.26 -4.77 116.67 117.75 2dbk s ASP 74 Ca 0.34 -3.44 0.15 0.00 0.43 0.00 0.00 52.55 50.03 2dbk s ASP 74 Cb 0.00 -2.01 0.77 0.00 -0.30 0.00 0.00 42.92 41.39 2dbk s ASP 74 CO 0.25 -0.28 1.40 -0.81 -0.17 0.00 0.00 175.17 175.55 2dbk n PRO 75 N 2.78 0.25 -2.06 4.34 -0.04 -1.26 -3.26 135.00 135.75 2dbk n PRO 75 Ca 0.19 0.13 -0.35 0.00 -0.04 0.00 0.00 63.50 63.42 2dbk n PRO 75 Cb 0.39 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2dbk n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dbk n GLN 76 N -1.24 2.98 -5.22 0.54 10.64 -1.26 -4.98 117.38 118.83 2dbk n GLN 76 Ca 0.08 -3.83 -0.31 0.00 -1.83 0.00 0.00 57.00 51.11 2dbk n GLN 76 Cb 0.11 -2.27 -0.16 0.00 -0.86 0.00 0.00 30.24 27.06 2dbk n GLN 76 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2dbk s ASN 77 N -1.96 2.95 0.10 2.61 0.01 -1.20 -5.01 114.94 112.44 2dbk s ASN 77 Ca 0.52 -0.48 0.18 0.00 -0.71 0.00 0.00 52.86 52.36 2dbk s ASN 77 Cb 0.43 -0.71 0.75 0.00 0.41 0.00 0.00 41.25 42.13 2dbk s ASN 77 CO -0.31 0.25 1.55 -0.81 -1.51 0.00 0.00 177.10 176.27 2dbk n PRO 78 N 2.87 0.07 -1.59 -0.60 -0.04 -1.26 -4.83 135.00 129.62 2dbk n PRO 78 Ca -0.17 0.32 -0.38 0.00 -0.04 0.00 0.00 63.50 63.23 2dbk n PRO 78 Cb 0.52 -1.64 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.78 0.45 -4.30 3.54 -0.08 -1.26 -2.30 116.55 110.82 2dbk n ASP 79 Ca 0.03 0.79 -0.33 0.00 -1.51 0.00 0.00 54.79 53.77 2dbk n ASP 79 Cb 0.19 -1.35 -0.08 0.00 2.34 0.00 0.00 41.12 42.22 2dbk n ASP 79 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dbk n GLU 80 N -0.85 -1.43 -3.44 -0.67 -0.58 -1.26 -4.92 120.64 107.48 2dbk n GLU 80 Ca 0.13 0.17 -0.06 0.00 -0.42 0.00 0.00 57.16 56.98 2dbk n GLU 80 Cb 0.47 -4.07 -0.07 0.00 -0.57 0.00 0.00 31.44 27.20 2dbk n GLU 80 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2dbk s ASN 81 N -4.08 -0.25 0.43 1.62 3.84 -0.97 -5.15 114.94 110.38 2dbk s ASN 81 Ca 0.22 0.67 -0.22 0.00 0.21 0.00 0.00 52.86 53.73 2dbk s ASN 81 Cb -0.13 1.42 -0.09 0.00 -0.55 0.00 0.00 41.25 41.90 2dbk s ASN 81 CO 0.98 -0.27 1.02 -1.83 -2.79 0.00 0.00 177.10 174.22 2dbk s GLU 82 N 2.64 4.07 -0.22 0.43 -1.05 -1.26 -4.97 118.70 118.33 2dbk s GLU 82 Ca 0.08 1.37 -0.02 0.00 -0.15 0.00 0.00 54.97 56.25 2dbk s GLU 82 Cb -0.14 -2.32 0.01 0.00 -0.44 0.00 0.00 34.13 31.23 2dbk s GLU 82 CO -0.16 -0.20 -0.07 -1.54 0.95 0.00 0.00 175.26 174.24 2dbk s SER 83 N -1.84 4.11 -0.21 0.83 1.04 -1.26 -4.93 113.70 111.44 2dbk s SER 83 Ca 0.62 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 56.17 2dbk s SER 83 Cb -0.17 -1.68 0.16 0.00 0.10 0.00 0.00 66.02 64.43 2dbk s SER 83 CO 0.22 -0.05 1.15 -0.83 0.98 0.00 0.00 173.24 174.71 2dbk s GLY 84 N 1.40 -0.11 0.02 7.32 0.00 -1.26 -5.10 107.32 109.59 2dbk s GLY 84 Ca 0.04 2.38 -0.30 0.00 0.00 0.00 0.00 44.72 46.84 2dbk s GLY 84 CO -0.05 1.07 1.44 2.56 0.00 0.00 0.00 173.10 178.11 2dbk s PRO 85 N -1.06 4.27 -1.43 2.90 0.04 -1.26 -3.11 135.00 135.36 2dbk s PRO 85 Ca 0.03 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2dbk s PRO 85 Cb -0.01 -3.55 0.05 0.00 0.04 0.00 0.00 34.50 31.03 2dbk s PRO 85 CO -0.03 -0.58 0.93 0.45 0.04 0.00 0.00 177.00 177.81 2dbk n SER 86 N 5.28 -3.78 -3.86 6.66 2.88 -1.26 -4.98 113.62 114.55 2dbk n SER 86 Ca 0.13 -0.75 -0.11 0.00 -1.33 0.00 0.00 58.87 56.81 2dbk n SER 86 Cb 0.43 -4.15 -0.10 0.00 -0.75 0.00 0.00 64.21 59.64 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 -3.68 0.00 0.00 -3.46 1.04 -1.18 -5.27 113.70 101.15 2dbk s SER 87 Ca 0.42 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2dbk s SER 87 Cb -0.21 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2dbk s SER 87 CO 0.81 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.29