#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 -0.23 0.24 1.61 1.04 -1.26 -5.18 113.70 109.91 2dbk s SER 2 Ca 0.00 -0.33 -0.22 0.00 0.48 0.00 0.00 55.95 55.88 2dbk s SER 2 Cb 0.00 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2dbk s SER 2 CO 0.00 -0.86 0.76 -0.55 0.98 0.00 0.00 173.24 173.57 2dbk s SER 3 N -2.81 -0.27 0.00 7.02 0.15 -1.26 -5.19 113.70 111.34 2dbk s SER 3 Ca 0.03 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2dbk s SER 3 Cb 0.02 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2dbk s SER 3 CO -0.11 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 173.73 2dbk n GLY 4 N -0.45 4.77 3.31 9.45 0.00 -1.26 -5.17 105.19 115.84 2dbk n GLY 4 Ca -0.06 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 0.03 0.07 0.55 1.61 0.01 -1.26 -5.16 113.70 109.54 2dbk s SER 5 Ca 0.00 -0.86 -0.19 0.00 1.31 0.00 0.00 55.95 56.21 2dbk s SER 5 Cb 0.00 0.42 -0.06 0.00 0.21 0.00 0.00 66.02 66.59 2dbk s SER 5 CO 0.00 -0.86 1.10 -0.44 0.41 0.00 0.00 173.24 173.44 2dbk s SER 6 N -2.96 5.81 0.05 2.44 0.01 -1.26 -5.06 113.70 112.74 2dbk s SER 6 Ca 0.16 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.49 2dbk s SER 6 Cb 0.04 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2dbk s SER 6 CO -0.01 -1.15 0.07 0.61 0.41 0.00 0.00 173.24 173.16 2dbk n GLY 7 N -0.13 2.23 3.72 3.44 0.00 -1.26 -5.11 105.19 108.07 2dbk n GLY 7 Ca 0.11 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.24 1.34 0.05 1.61 0.04 -1.26 -5.08 135.00 129.47 2dbk s PRO 8 Ca 0.05 0.84 0.03 0.00 0.04 0.00 0.00 61.00 61.97 2dbk s PRO 8 Cb -0.00 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dbk s PRO 8 CO 0.03 -2.19 -0.10 -0.48 0.04 0.00 0.00 177.00 174.30 2dbk s LEU 9 N -6.19 2.25 -0.02 -3.56 0.05 -1.26 -5.12 118.68 104.82 2dbk s LEU 9 Ca 0.63 -0.55 -0.30 0.00 0.05 0.00 0.00 54.13 53.96 2dbk s LEU 9 Cb -0.18 -0.32 -0.05 0.00 -2.05 0.00 0.00 46.19 43.59 2dbk s LEU 9 CO 0.57 -0.13 1.47 -2.16 -0.55 0.00 0.00 176.35 175.54 2dbk s PRO 10 N -1.54 4.25 0.05 1.48 0.04 -1.26 -5.02 135.00 133.00 2dbk s PRO 10 Ca -0.06 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2dbk s PRO 10 Cb -0.10 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 2dbk s PRO 10 CO 0.01 -0.66 -0.07 0.45 0.04 0.00 0.00 177.00 176.77 2dbk s SER 11 N 2.25 0.83 -1.78 6.66 0.15 -1.26 -3.77 113.70 116.78 2dbk s SER 11 Ca 0.66 -0.67 -0.23 0.00 0.70 0.00 0.00 55.95 56.42 2dbk s SER 11 Cb -0.32 0.06 0.23 0.00 -1.71 0.00 0.00 66.02 64.28 2dbk s SER 11 CO 0.26 -0.29 0.57 0.35 1.20 0.00 0.00 173.24 175.33 2dbk n THR 12 N 1.08 0.00 -3.94 6.45 -2.24 -1.26 -4.87 114.28 109.50 2dbk n THR 12 Ca -0.20 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 2dbk n THR 12 Cb 0.56 -0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.17 2dbk n THR 12 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2dbk s GLN 13 N -7.01 1.27 -0.48 -0.78 0.74 -1.26 -5.07 119.66 107.07 2dbk s GLN 13 Ca 0.79 -1.66 -0.44 0.00 0.05 0.00 0.00 55.36 54.10 2dbk s GLN 13 Cb -0.46 -2.86 -0.19 0.00 1.10 0.00 0.00 33.01 30.60 2dbk s GLN 13 CO 0.97 -0.96 1.83 0.09 -0.55 0.00 0.00 175.29 176.67 2dbk n ASN 14 N 4.40 0.92 -2.12 6.67 3.02 -1.26 -4.55 115.26 122.34 2dbk n ASN 14 Ca 0.02 0.87 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 2dbk n ASN 14 Cb 0.42 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 2dbk n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dbk n GLY 15 N 5.73 0.19 3.77 7.41 0.00 -1.26 -5.05 105.19 115.99 2dbk n GLY 15 Ca 0.43 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 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 0.92 3.29 -0.09 1.61 0.04 -1.26 -5.01 135.00 134.50 2dbk s PRO 16 Ca 0.00 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 2dbk s PRO 16 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2dbk s PRO 16 CO 0.00 -0.89 0.67 0.08 0.04 0.00 0.00 177.00 176.90 2dbk s VAL 17 N -1.84 5.06 -0.21 -0.36 1.01 -1.21 -4.98 120.40 117.86 2dbk s VAL 17 Ca 0.72 1.37 -0.04 0.00 0.00 0.00 0.00 61.98 64.02 2dbk s VAL 17 Cb -0.23 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2dbk s VAL 17 CO 0.29 0.24 -0.03 -0.36 0.00 0.00 0.00 175.10 175.24 2dbk s PHE 18 N 0.94 2.98 -0.12 5.22 0.08 -1.26 -2.88 117.98 122.94 2dbk s PHE 18 Ca 0.35 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2dbk s PHE 18 Cb -0.17 -2.09 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2dbk s PHE 18 CO 0.16 -0.41 -0.15 0.00 -0.10 0.00 0.00 175.22 174.72 2dbk s ALA 19 N 1.26 1.74 0.32 5.36 0.00 -1.06 -4.27 121.76 125.11 2dbk s ALA 19 Ca 0.03 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 2dbk s ALA 19 Cb -0.14 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.99 2dbk s ALA 19 CO -0.00 -0.16 0.82 0.21 0.00 0.00 0.00 175.76 176.63 2dbk s LYS 20 N 1.12 4.24 -0.26 0.00 2.20 -1.22 -1.66 119.74 124.15 2dbk s LYS 20 Ca -0.03 0.96 -0.27 0.00 -0.36 0.00 0.00 55.97 56.26 2dbk s LYS 20 Cb -0.14 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2dbk s LYS 20 CO -0.04 0.21 0.96 0.00 -0.36 0.00 0.00 175.35 176.12 2dbk s ALA 21 N -1.82 3.62 -0.07 3.13 0.00 0.15 -2.13 121.76 124.64 2dbk s ALA 21 Ca 0.52 -0.04 0.14 0.00 0.00 0.00 0.00 51.96 52.58 2dbk s ALA 21 Cb -0.13 -3.47 -0.18 0.00 0.00 0.00 0.00 23.12 19.33 2dbk s ALA 21 CO 0.19 -1.13 0.79 -0.84 0.00 0.00 0.00 175.76 174.77 2dbk h ILE 22 N 5.53 0.76 -5.41 0.00 3.07 -1.85 -2.49 117.51 117.11 2dbk h ILE 22 Ca -0.21 -2.44 -0.62 0.00 1.55 0.00 0.00 64.86 63.14 2dbk h ILE 22 Cb 1.07 2.29 -0.09 0.00 -0.27 0.00 0.00 36.82 39.82 2dbk h ILE 22 CO 0.95 0.43 -0.38 0.00 -1.05 0.00 0.00 178.15 178.10 2dbk n GLN 23 N -3.01 0.74 -3.59 0.16 1.13 -1.25 -4.85 117.38 106.71 2dbk n GLN 23 Ca -0.12 -3.55 -0.40 0.00 -1.94 0.00 0.00 57.00 50.98 2dbk n GLN 23 Cb 0.95 0.70 -0.11 0.00 0.11 0.00 0.00 30.24 31.89 2dbk n GLN 23 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2dbk s LYS 24 N -4.01 3.02 -0.25 -1.09 2.20 -1.26 -3.08 119.74 115.28 2dbk s LYS 24 Ca 0.14 -0.95 -0.18 0.00 -0.36 0.00 0.00 55.97 54.62 2dbk s LYS 24 Cb -0.01 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 2dbk s LYS 24 CO 0.09 -0.61 0.50 0.50 -0.36 0.00 0.00 175.35 175.47 2dbk s ARG 25 N 1.60 4.08 -0.44 4.03 6.06 -0.86 -4.97 118.95 128.45 2dbk s ARG 25 Ca 0.03 0.31 0.03 0.00 -2.50 0.00 0.00 55.73 53.61 2dbk s ARG 25 Cb -0.18 -3.64 0.12 0.00 0.06 0.00 0.00 34.95 31.31 2dbk s ARG 25 CO 0.07 -0.31 0.19 0.08 -2.50 0.00 0.00 175.30 172.83 2dbk s VAL 26 N 2.19 2.05 0.75 7.11 1.01 -1.26 -2.81 120.40 129.44 2dbk s VAL 26 Ca 0.21 -2.73 -0.11 0.00 0.00 0.00 0.00 61.98 59.35 2dbk s VAL 26 Cb -0.16 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2dbk s VAL 26 CO 0.09 -0.77 1.10 -2.16 0.00 0.00 0.00 175.10 173.36 2dbk s PRO 27 N 0.31 2.36 0.54 2.72 0.04 -1.26 -5.02 135.00 134.70 2dbk s PRO 27 Ca 0.15 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 2dbk s PRO 27 Cb -0.23 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2dbk s PRO 27 CO -0.04 -1.57 1.02 0.00 0.04 0.00 0.00 177.00 176.46 2dbk h ALA 29 N 0.82 0.85 -0.22 0.00 0.00 -2.01 -2.28 119.26 116.42 2dbk h ALA 29 Ca -0.47 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 2dbk h ALA 29 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2dbk h ALA 29 CO 0.59 0.10 -0.48 1.88 0.00 0.00 0.00 179.25 181.34 2dbk h TYR 30 N 0.73 0.71 -2.87 0.00 -1.99 -2.04 -3.43 116.97 108.08 2dbk h TYR 30 Ca 0.27 -0.23 -0.53 0.00 2.00 0.00 0.00 58.73 60.24 2dbk h TYR 30 Cb 0.09 -0.14 0.03 0.00 2.00 0.00 0.00 36.73 38.71 2dbk h TYR 30 CO -0.06 0.95 0.84 -0.51 -0.00 0.00 0.00 178.16 179.38 2dbk s ASP 31 N -6.89 6.70 -0.07 3.88 1.11 -0.86 -4.89 116.67 115.65 2dbk s ASP 31 Ca -0.08 2.45 0.02 0.00 0.18 0.00 0.00 52.55 55.12 2dbk s ASP 31 Cb 0.12 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.47 2dbk s ASP 31 CO 0.84 -0.76 -0.05 0.29 1.18 0.00 0.00 175.17 176.67 2dbk n LYS 32 N 4.35 0.87 0.28 8.23 4.76 -1.26 -4.59 118.16 130.79 2dbk n LYS 32 Ca 0.13 0.03 0.17 0.00 -2.87 0.00 0.00 58.31 55.77 2dbk n LYS 32 Cb 0.41 -1.15 0.80 0.00 -1.84 0.00 0.00 35.03 33.25 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2dbk h THR 33 N 0.00 0.21 -3.21 -0.18 1.35 -1.92 -3.41 112.91 105.76 2dbk h THR 33 Ca -0.17 -0.46 -0.55 0.00 -0.55 0.00 0.00 66.41 64.68 2dbk h THR 33 Cb 1.29 1.37 -0.07 0.00 -1.73 0.00 0.00 68.15 69.01 2dbk h THR 33 CO -0.02 0.05 1.02 0.00 -0.25 0.00 0.00 175.52 176.33 2dbk s ALA 34 N -3.93 2.98 0.19 6.62 0.00 -1.26 0.32 121.76 126.67 2dbk s ALA 34 Ca -0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 2dbk s ALA 34 Cb 0.11 -4.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.13 2dbk s ALA 34 CO 0.53 -2.62 1.36 -1.17 0.00 0.00 0.00 175.76 173.86 2dbk s LEU 35 N 5.27 4.40 -0.14 0.00 0.20 -1.24 -4.76 118.68 122.40 2dbk s LEU 35 Ca 0.50 2.43 -0.14 0.00 0.69 0.00 0.00 54.13 57.62 2dbk s LEU 35 Cb -0.09 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 42.01 2dbk s LEU 35 CO 0.28 -0.60 0.30 0.00 -0.29 0.00 0.00 176.35 176.04 2dbk s ALA 36 N 0.37 3.62 0.13 5.97 0.00 -1.26 -4.72 121.76 125.86 2dbk s ALA 36 Ca 0.59 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 2dbk s ALA 36 Cb -0.38 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2dbk s ALA 36 CO 0.37 0.18 0.08 -0.51 0.00 0.00 0.00 175.76 175.87 2dbk s LEU 37 N 0.16 1.75 -0.01 0.00 1.43 -1.12 -4.97 118.68 115.92 2dbk s LEU 37 Ca 0.18 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 2dbk s LEU 37 Cb -0.13 0.40 -0.01 0.00 0.03 0.00 0.00 46.19 46.48 2dbk s LEU 37 CO 0.05 -0.73 -0.11 -1.83 0.23 0.00 0.00 176.35 173.96 2dbk s GLU 38 N -4.02 0.88 -0.51 1.70 -1.05 -1.26 -2.02 118.70 112.41 2dbk s GLU 38 Ca 0.21 -0.41 -0.43 0.00 -0.15 0.00 0.00 54.97 54.19 2dbk s GLU 38 Cb 0.07 -0.85 -0.19 0.00 -0.44 0.00 0.00 34.13 32.72 2dbk s GLU 38 CO 0.00 0.23 2.17 0.28 0.95 0.00 0.00 175.26 178.89 2dbk n VAL 39 N 2.75 0.01 0.00 1.83 0.31 -1.18 -2.14 118.33 119.91 2dbk n VAL 39 Ca -0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2dbk n VAL 39 Cb 0.56 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 7.40 1.23 3.15 2.92 0.00 -0.94 -5.05 105.19 113.90 2dbk n GLY 40 Ca 0.55 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.00 1.84 -0.08 1.61 -1.08 -0.91 -4.96 116.67 111.10 2dbk s ASP 41 Ca 0.00 -0.37 -0.15 0.00 -0.52 0.00 0.00 52.55 51.51 2dbk s ASP 41 Cb 0.00 -0.17 -0.05 0.00 -1.46 0.00 0.00 42.92 41.24 2dbk s ASP 41 CO 0.00 0.13 0.39 -0.63 0.52 0.00 0.00 175.17 175.58 2dbk s ILE 42 N -0.58 5.16 -0.21 4.11 -1.09 -1.26 -0.67 121.20 126.65 2dbk s ILE 42 Ca 0.05 0.78 -0.03 0.00 -2.23 0.00 0.00 60.65 59.21 2dbk s ILE 42 Cb -0.07 -3.71 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2dbk s ILE 42 CO 0.00 0.47 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.42 2dbk s VAL 43 N -0.24 3.17 -0.44 2.92 1.01 -0.67 -4.82 120.40 121.33 2dbk s VAL 43 Ca 0.22 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 2dbk s VAL 43 Cb -0.15 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.84 2dbk s VAL 43 CO 0.10 0.44 0.41 -0.75 0.00 0.00 0.00 175.10 175.30 2dbk s LYS 44 N 1.44 3.03 -0.19 2.72 2.20 -1.25 -2.55 119.74 125.13 2dbk s LYS 44 Ca 0.06 -0.99 -0.06 0.00 -0.36 0.00 0.00 55.97 54.62 2dbk s LYS 44 Cb -0.14 -4.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.12 2dbk s LYS 44 CO -0.05 -0.90 0.02 0.54 -0.36 0.00 0.00 175.35 174.60 2dbk s VAL 45 N 1.94 4.27 -0.05 4.02 0.11 -1.14 -1.91 120.40 127.63 2dbk s VAL 45 Ca 0.08 -0.21 0.19 0.00 -2.93 0.00 0.00 61.98 59.11 2dbk s VAL 45 Cb -0.20 -2.93 -0.29 0.00 -1.53 0.00 0.00 36.38 31.44 2dbk s VAL 45 CO 0.11 0.44 0.36 0.35 -3.33 0.00 0.00 175.10 173.03 2dbk n THR 46 N 3.98 0.22 -3.63 5.04 -2.24 -1.18 -3.32 114.28 113.16 2dbk n THR 46 Ca -0.17 -0.51 -0.27 0.00 -2.27 0.00 0.00 64.05 60.83 2dbk n THR 46 Cb 0.52 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 2dbk n THR 46 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2dbk n ARG 47 N -2.27 0.98 -2.43 -0.78 3.00 -1.25 -5.01 116.66 108.89 2dbk n ARG 47 Ca -0.08 -3.80 -0.42 0.00 -0.00 0.00 0.00 57.85 53.55 2dbk n ARG 47 Cb 0.61 -1.96 -0.03 0.00 0.00 0.00 0.00 32.46 31.09 2dbk n ARG 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2dbk s MET 48 N -0.68 3.32 0.50 -0.14 -2.45 -1.26 -3.09 119.30 115.50 2dbk s MET 48 Ca 0.29 0.38 -0.21 0.00 -1.25 0.00 0.00 55.69 54.91 2dbk s MET 48 Cb 0.00 -4.11 -0.07 0.00 1.25 0.00 0.00 34.83 31.90 2dbk s MET 48 CO -0.18 -1.92 1.11 -0.80 1.05 0.00 0.00 175.02 174.27 2dbk s ASN 49 N 4.17 6.04 0.01 1.11 0.01 -1.25 -4.97 114.94 120.05 2dbk s ASN 49 Ca 0.50 2.12 -0.23 0.00 -0.71 0.00 0.00 52.86 54.54 2dbk s ASN 49 Cb -0.10 -2.58 -0.18 0.00 0.41 0.00 0.00 41.25 38.80 2dbk s ASN 49 CO 0.24 -0.99 1.28 0.40 -1.51 0.00 0.00 177.10 176.52 2dbk h ILE 50 N 1.49 1.39 -0.78 0.60 2.04 -1.94 -3.28 117.51 117.02 2dbk h ILE 50 Ca -0.50 -1.32 0.11 0.00 1.00 0.00 0.00 64.86 64.16 2dbk h ILE 50 Cb 1.24 2.08 -0.12 0.00 -0.74 0.00 0.00 36.82 39.29 2dbk h ILE 50 CO 0.58 0.37 -0.33 -0.46 0.00 0.00 0.00 178.15 178.32 2dbk n ASN 51 N -4.66 -0.56 0.00 1.72 6.94 -1.26 -4.82 115.26 112.62 2dbk n ASN 51 Ca -0.07 1.36 0.00 0.00 -0.02 0.00 0.00 54.58 55.85 2dbk n ASN 51 Cb 0.34 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2dbk n ASN 51 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dbk n GLY 52 N -1.34 0.40 3.71 4.83 0.00 -1.24 -5.12 105.19 106.42 2dbk n GLY 52 Ca 0.07 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 4.37 0.48 1.61 1.11 -1.26 -4.41 119.66 121.56 2dbk s GLN 53 Ca 0.00 1.88 0.07 0.00 0.01 0.00 0.00 55.36 57.32 2dbk s GLN 53 Cb 0.00 -3.36 0.01 0.00 -1.01 0.00 0.00 33.01 28.65 2dbk s GLN 53 CO 0.00 -0.37 0.41 -1.58 0.01 0.00 0.00 175.29 173.76 2dbk s TRP 54 N 1.32 2.16 -0.32 0.91 0.51 -1.22 -3.93 118.94 118.38 2dbk s TRP 54 Ca 0.61 -0.66 0.02 0.00 -2.12 0.00 0.00 56.10 53.96 2dbk s TRP 54 Cb -0.32 -2.06 0.08 0.00 -0.81 0.00 0.00 33.47 30.37 2dbk s TRP 54 CO 0.29 -0.33 0.00 -2.00 -0.51 0.00 0.00 176.95 174.40 2dbk s GLU 55 N -4.22 1.88 0.08 4.98 2.12 -1.18 -3.51 118.70 118.85 2dbk s GLU 55 Ca 0.43 -1.64 0.05 0.00 0.36 0.00 0.00 54.97 54.18 2dbk s GLU 55 Cb -0.02 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 2dbk s GLU 55 CO 0.26 -0.80 -0.13 0.20 -0.54 0.00 0.00 175.26 174.25 2dbk s GLY 56 N 1.09 0.86 -0.22 -1.50 0.00 -1.24 -3.08 107.32 103.22 2dbk s GLY 56 Ca 0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 44.72 43.65 2dbk s GLY 56 CO -0.06 -1.06 0.05 1.85 0.00 0.00 0.00 173.10 173.87 2dbk s GLU 57 N -1.92 3.72 0.02 2.90 2.12 -0.80 -2.67 118.70 122.07 2dbk s GLU 57 Ca -0.01 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2dbk s GLU 57 Cb -0.09 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 2dbk s GLU 57 CO 0.02 -0.02 -0.06 0.08 -0.54 0.00 0.00 175.26 174.74 2dbk s VAL 58 N 1.15 0.42 -0.84 3.70 1.01 0.26 -3.97 120.40 122.13 2dbk s VAL 58 Ca 0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2dbk s VAL 58 Cb -0.14 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 35.88 2dbk s VAL 58 CO 0.03 -0.13 0.24 -0.46 0.00 0.00 0.00 175.10 174.78 2dbk n ASN 59 N 2.28 -2.25 -1.18 3.32 0.23 -1.26 0.13 115.26 116.53 2dbk n ASN 59 Ca -0.17 -0.11 -0.08 0.00 -0.53 0.00 0.00 54.58 53.69 2dbk n ASN 59 Cb 0.57 -1.96 0.01 0.00 -2.08 0.00 0.00 39.78 36.31 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dbk n GLY 60 N -0.82 0.20 3.06 4.83 0.00 -1.26 -5.03 105.19 106.17 2dbk n GLY 60 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.83 0.19 -0.23 1.61 0.52 0.36 -5.14 118.95 111.43 2dbk s ARG 61 Ca 0.09 0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 56.03 2dbk s ARG 61 Cb -0.04 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.43 2dbk s ARG 61 CO 0.11 -0.28 0.08 -1.59 0.02 0.00 0.00 175.30 173.64 2dbk s LYS 62 N 2.47 3.80 0.27 3.54 -2.85 -1.26 -0.57 119.74 125.14 2dbk s LYS 62 Ca 0.01 -0.41 -0.14 0.00 -1.00 0.00 0.00 55.97 54.42 2dbk s LYS 62 Cb -0.12 -3.33 0.01 0.00 -2.06 0.00 0.00 37.83 32.33 2dbk s LYS 62 CO -0.10 -0.02 0.55 0.20 0.10 0.00 0.00 175.35 176.08 2dbk s GLY 63 N 1.19 0.44 -0.30 0.59 0.00 -1.09 -4.87 107.32 103.28 2dbk s GLY 63 Ca 0.05 -0.78 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 2dbk s GLY 63 CO 0.04 -0.50 0.90 1.08 0.00 0.00 0.00 173.10 174.62 2dbk s LEU 64 N -3.01 4.04 0.04 0.66 1.43 0.15 -3.67 118.68 118.32 2dbk s LEU 64 Ca 0.20 0.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.26 2dbk s LEU 64 Cb -0.02 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 2dbk s LEU 64 CO 0.09 -0.69 -0.26 0.72 0.23 0.00 0.00 176.35 176.44 2dbk s PHE 65 N 3.18 2.27 0.63 0.29 -0.71 -1.23 -3.68 117.98 118.75 2dbk s PHE 65 Ca 0.38 -0.41 -0.16 0.00 -1.04 0.00 0.00 56.93 55.69 2dbk s PHE 65 Cb -0.14 -1.38 -0.01 0.00 -1.21 0.00 0.00 43.02 40.28 2dbk s PHE 65 CO 0.12 0.10 1.11 -1.25 -1.34 0.00 0.00 175.22 173.97 2dbk s PRO 66 N -1.14 2.92 0.24 1.99 0.04 -1.26 -3.40 135.00 134.38 2dbk s PRO 66 Ca 0.11 1.44 0.12 0.00 0.04 0.00 0.00 61.00 62.71 2dbk s PRO 66 Cb -0.10 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.58 2dbk s PRO 66 CO 0.02 -1.16 1.45 0.27 0.04 0.00 0.00 177.00 177.62 2dbk h PHE 67 N 0.28 0.00 0.00 0.56 -0.00 -1.87 -3.13 116.94 112.78 2dbk h PHE 67 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2dbk h PHE 67 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.20 2dbk h PHE 67 CO 0.54 0.68 -0.01 1.79 -0.00 0.00 0.00 178.31 181.31 2dbk h THR 68 N 0.00 0.02 0.03 0.88 1.35 -1.96 -3.07 112.91 110.16 2dbk h THR 68 Ca -0.01 -0.49 -0.10 0.00 -0.55 0.00 0.00 66.41 65.26 2dbk h THR 68 Cb 1.41 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 69.32 2dbk h THR 68 CO 0.09 0.01 -0.41 -0.74 -0.25 0.00 0.00 175.52 174.22 2dbk h HIS 69 N 0.00 0.36 -3.37 4.73 -0.00 -1.94 -3.44 115.15 111.48 2dbk h HIS 69 Ca -0.00 -0.21 -0.63 0.00 -0.00 0.00 0.00 60.37 59.53 2dbk h HIS 69 Cb 0.48 -0.03 -0.19 0.00 -0.00 0.00 0.00 27.41 27.67 2dbk h HIS 69 CO 0.00 1.07 -0.61 0.14 -0.00 0.00 0.00 177.93 178.53 2dbk s VAL 70 N -2.89 4.42 -0.16 5.26 -7.23 -1.16 -2.63 120.40 116.02 2dbk s VAL 70 Ca -0.15 -0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 2dbk s VAL 70 Cb 0.01 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 2dbk s VAL 70 CO 0.77 0.44 0.24 -0.75 -0.31 0.00 0.00 175.10 175.49 2dbk s LYS 71 N 0.63 4.12 -0.08 4.82 2.20 -0.91 -4.80 119.74 125.73 2dbk s LYS 71 Ca 0.02 -0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 2dbk s LYS 71 Cb -0.13 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.74 2dbk s LYS 71 CO 0.02 0.35 1.80 0.42 -0.36 0.00 0.00 175.35 177.57 2dbk s ILE 72 N 0.17 3.38 0.29 5.43 -1.09 -1.26 -3.46 121.20 124.66 2dbk s ILE 72 Ca 0.14 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 59.02 2dbk s ILE 72 Cb -0.13 -3.33 -0.00 0.00 -1.58 0.00 0.00 42.46 37.42 2dbk s ILE 72 CO 0.03 -0.09 0.03 2.22 -1.23 0.00 0.00 174.94 175.91 2dbk n PHE 73 N 8.03 0.49 -3.44 3.97 -1.74 -1.26 -5.03 117.46 118.47 2dbk n PHE 73 Ca 0.20 -1.59 -0.44 0.00 -0.56 0.00 0.00 57.45 55.06 2dbk n PHE 73 Cb 0.43 -0.13 -0.05 0.00 1.52 0.00 0.00 39.48 41.25 2dbk n PHE 73 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2dbk s ASP 74 N -2.68 6.14 0.00 5.98 1.11 -1.26 -4.90 116.67 121.06 2dbk s ASP 74 Ca 0.05 -2.37 0.11 0.00 0.18 0.00 0.00 52.55 50.53 2dbk s ASP 74 Cb 0.00 -2.10 0.69 0.00 1.07 0.00 0.00 42.92 42.58 2dbk s ASP 74 CO 0.03 -0.62 1.12 -0.81 1.18 0.00 0.00 175.17 176.07 2dbk n PRO 75 N 4.35 0.49 -0.83 8.23 -0.04 -1.26 -4.01 135.00 141.93 2dbk n PRO 75 Ca 0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2dbk n PRO 75 Cb 0.43 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.87 1.66 -3.92 0.54 10.64 -1.26 -4.83 117.38 119.34 2dbk n GLN 76 Ca 0.09 -0.70 -0.35 0.00 -1.83 0.00 0.00 57.00 54.20 2dbk n GLN 76 Cb 0.04 -1.73 -0.09 0.00 -0.86 0.00 0.00 30.24 27.61 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 2.03 5.90 0.00 2.61 0.01 -1.26 -4.95 114.94 119.29 2dbk s ASN 77 Ca 0.47 0.18 0.13 0.00 -0.71 0.00 0.00 52.86 52.93 2dbk s ASN 77 Cb 0.23 -1.99 0.79 0.00 0.41 0.00 0.00 41.25 40.68 2dbk s ASN 77 CO 0.00 0.21 1.21 -0.81 -1.51 0.00 0.00 177.10 176.21 2dbk n PRO 78 N 3.28 0.49 -0.03 -0.60 -0.04 -1.26 -3.01 135.00 133.83 2dbk n PRO 78 Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.24 2dbk n PRO 78 Cb 0.53 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.92 1.53 -4.54 3.54 -0.08 -1.26 -4.36 116.55 110.45 2dbk n ASP 79 Ca 0.10 0.24 -0.42 0.00 -1.51 0.00 0.00 54.79 53.20 2dbk n ASP 79 Cb 0.05 -0.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.92 2dbk n ASP 79 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2dbk s GLU 80 N -2.46 3.61 -0.79 -0.67 -6.30 -1.23 -4.06 118.70 106.80 2dbk s GLU 80 Ca -0.16 -1.28 -0.02 0.00 -2.50 0.00 0.00 54.97 51.01 2dbk s GLU 80 Cb 0.02 -5.29 -0.02 0.00 0.00 0.00 0.00 34.13 28.84 2dbk s GLU 80 CO 0.24 -2.13 0.67 -1.71 0.02 0.00 0.00 175.26 172.34 2dbk n ASN 81 N 8.44 -3.25 -4.19 -1.70 5.15 -1.26 -4.57 115.26 113.88 2dbk n ASN 81 Ca 0.32 -0.45 -0.42 0.00 -0.60 0.00 0.00 54.58 53.43 2dbk n ASN 81 Cb 0.50 -3.71 -0.01 0.00 -0.53 0.00 0.00 39.78 36.04 2dbk n ASN 81 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2dbk n GLU 82 N -2.98 0.00 -3.69 1.20 0.28 -1.16 -4.81 120.64 109.47 2dbk n GLU 82 Ca -0.14 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.62 2dbk n GLU 82 Cb 0.60 -0.97 -0.17 0.00 1.43 0.00 0.00 31.44 32.33 2dbk n GLU 82 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2dbk s SER 83 N -0.97 1.85 0.00 -1.84 0.01 -1.26 -5.01 113.70 106.48 2dbk s SER 83 Ca 0.58 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2dbk s SER 83 Cb -0.68 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.24 2dbk s SER 83 CO 0.60 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2dbk n GLY 84 N 5.21 0.87 3.56 3.44 0.00 -1.26 -4.79 105.19 112.24 2dbk n GLY 84 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2dbk n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 85 N 0.14 2.54 0.16 1.61 0.04 -1.26 -4.93 135.00 133.30 2dbk s PRO 85 Ca 0.00 -0.47 -0.31 0.00 0.04 0.00 0.00 61.00 60.25 2dbk s PRO 85 Cb 0.00 -5.10 -0.17 0.00 0.04 0.00 0.00 34.50 29.27 2dbk s PRO 85 CO 0.00 -3.51 0.76 0.45 0.04 0.00 0.00 177.00 174.75 2dbk n SER 86 N 14.07 -0.45 -3.97 6.66 2.88 -1.26 -4.96 113.62 126.58 2dbk n SER 86 Ca 0.41 1.14 -0.25 0.00 -1.33 0.00 0.00 58.87 58.84 2dbk n SER 86 Cb 0.47 -1.00 -0.17 0.00 -0.75 0.00 0.00 64.21 62.76 2dbk n SER 86 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbk s SER 87 N -0.62 1.91 0.00 -3.46 0.01 -1.26 -4.90 113.70 105.39 2dbk s SER 87 Ca 0.71 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.74 2dbk s SER 87 Cb -0.98 -0.82 0.41 0.00 0.21 0.00 0.00 66.02 64.83 2dbk s SER 87 CO 0.56 -0.03 0.87 0.61 0.41 0.00 0.00 173.24 175.66