#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 -0.32 0.14 1.61 0.15 -1.26 -5.18 113.70 108.84 2dbk s SER 2 Ca 0.00 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.20 2dbk s SER 2 Cb 0.00 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 2dbk s SER 2 CO 0.00 -0.90 0.50 -0.44 1.20 0.00 0.00 173.24 173.60 2dbk s SER 3 N -2.80 -0.40 0.00 5.45 0.01 -1.26 -5.18 113.70 109.52 2dbk s SER 3 Ca 0.03 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2dbk s SER 3 Cb 0.01 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2dbk s SER 3 CO -0.11 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.24 2dbk n GLY 4 N -0.27 3.28 3.79 3.44 0.00 -1.26 -5.19 105.19 108.98 2dbk n GLY 4 Ca -0.17 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 2dbk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbk s SER 5 N 0.94 -0.18 -0.06 1.61 1.04 -1.26 -5.05 113.70 110.73 2dbk s SER 5 Ca 0.00 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 55.78 2dbk s SER 5 Cb 0.00 0.71 0.14 0.00 0.10 0.00 0.00 66.02 66.97 2dbk s SER 5 CO 0.00 -1.33 1.07 -1.54 0.98 0.00 0.00 173.24 172.42 2dbk n SER 6 N -0.54 2.12 -0.45 7.02 3.41 -1.26 -5.11 113.62 118.81 2dbk n SER 6 Ca -0.04 -2.53 0.01 0.00 -0.26 0.00 0.00 58.87 56.05 2dbk n SER 6 Cb 0.60 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2dbk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbk n GLY 7 N -0.95 -3.13 2.58 5.00 0.00 -1.26 -5.00 105.19 102.43 2dbk n GLY 7 Ca 0.08 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 2dbk n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbk n PRO 8 N -1.92 -2.61 -3.72 1.61 -0.04 -1.26 -5.10 135.00 121.96 2dbk n PRO 8 Ca -0.00 -1.29 -0.14 0.00 -0.04 0.00 0.00 63.50 62.03 2dbk n PRO 8 Cb 0.15 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 2dbk n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dbk s LEU 9 N 0.00 0.50 0.79 1.53 1.43 -1.26 -5.17 118.68 116.51 2dbk s LEU 9 Ca 0.52 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 2dbk s LEU 9 Cb -0.05 1.45 0.07 0.00 0.03 0.00 0.00 46.19 47.69 2dbk s LEU 9 CO 0.40 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 2dbk s PRO 10 N -0.53 2.10 0.45 1.29 0.04 -1.26 -5.04 135.00 132.05 2dbk s PRO 10 Ca -0.06 1.12 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 2dbk s PRO 10 Cb -0.04 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2dbk s PRO 10 CO 0.03 -1.74 0.75 0.45 0.04 0.00 0.00 177.00 176.53 2dbk s SER 11 N -3.40 6.30 -0.01 6.66 0.15 -1.26 -5.02 113.70 117.12 2dbk s SER 11 Ca 0.61 0.90 -0.00 0.00 0.70 0.00 0.00 55.95 58.16 2dbk s SER 11 Cb -0.17 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2dbk s SER 11 CO 0.56 -0.52 -0.01 1.07 1.20 0.00 0.00 173.24 175.54 2dbk n THR 12 N -2.07 0.07 -0.59 6.45 5.66 -1.26 -5.07 114.28 117.48 2dbk n THR 12 Ca 0.00 -0.02 -0.26 0.00 -3.05 0.00 0.00 64.05 60.72 2dbk n THR 12 Cb 0.55 -0.97 0.17 0.00 -1.55 0.00 0.00 70.33 68.53 2dbk n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dbk n GLN 13 N -2.76 -2.09 -1.71 1.09 3.00 -1.26 -4.85 117.38 108.79 2dbk n GLN 13 Ca -0.02 -0.61 -0.40 0.00 -0.01 0.00 0.00 57.00 55.96 2dbk n GLN 13 Cb 0.52 -1.59 0.02 0.00 0.00 0.00 0.00 30.24 29.20 2dbk n GLN 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2dbk n ASN 14 N -1.61 2.56 -4.53 1.08 4.13 -1.26 -4.90 115.26 110.72 2dbk n ASN 14 Ca 0.04 1.05 -0.39 0.00 1.68 0.00 0.00 54.58 56.95 2dbk n ASN 14 Cb 0.51 -1.53 0.03 0.00 -1.54 0.00 0.00 39.78 37.25 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 0.80 -0.93 3.75 7.41 0.00 -1.26 -4.91 105.19 110.06 2dbk n GLY 15 Ca 0.08 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.19 4.43 0.11 1.61 0.04 -1.26 -5.02 135.00 132.71 2dbk s PRO 16 Ca 0.69 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.58 2dbk s PRO 16 Cb -0.48 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 30.83 2dbk s PRO 16 CO 0.53 -0.15 0.62 0.08 0.04 0.00 0.00 177.00 178.13 2dbk s VAL 17 N -0.49 4.65 -0.09 -0.36 1.01 -1.10 -4.96 120.40 119.06 2dbk s VAL 17 Ca 0.52 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.82 2dbk s VAL 17 Cb -0.37 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2dbk s VAL 17 CO 0.43 0.50 -0.12 -0.36 0.00 0.00 0.00 175.10 175.55 2dbk s PHE 18 N -1.17 2.79 -0.06 5.22 0.40 -1.26 -2.03 117.98 121.86 2dbk s PHE 18 Ca 0.32 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2dbk s PHE 18 Cb -0.20 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2dbk s PHE 18 CO 0.21 0.05 -0.04 0.00 0.70 0.00 0.00 175.22 176.14 2dbk s ALA 19 N -0.30 0.81 0.04 5.36 0.00 -0.18 -4.08 121.76 123.42 2dbk s ALA 19 Ca 0.03 -0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 2dbk s ALA 19 Cb -0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 2dbk s ALA 19 CO 0.03 -0.20 0.85 0.21 0.00 0.00 0.00 175.76 176.65 2dbk s LYS 20 N 1.33 4.55 -0.33 0.00 2.20 -1.07 -0.04 119.74 126.39 2dbk s LYS 20 Ca -0.04 1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 56.48 2dbk s LYS 20 Cb -0.14 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2dbk s LYS 20 CO -0.02 0.18 1.19 0.00 -0.36 0.00 0.00 175.35 176.33 2dbk s ALA 21 N 0.24 3.40 -0.14 3.13 0.00 0.31 -1.79 121.76 126.91 2dbk s ALA 21 Ca 0.43 -0.03 0.19 0.00 0.00 0.00 0.00 51.96 52.56 2dbk s ALA 21 Cb -0.21 -3.75 -0.15 0.00 0.00 0.00 0.00 23.12 19.01 2dbk s ALA 21 CO 0.25 -1.70 0.73 0.44 0.00 0.00 0.00 175.76 175.48 2dbk n ILE 22 N 6.14 0.84 -4.82 0.00 -5.35 -1.12 -0.95 119.36 114.10 2dbk n ILE 22 Ca 0.13 -0.64 -0.26 0.00 -0.27 0.00 0.00 62.75 61.71 2dbk n ILE 22 Cb 0.47 -0.47 -0.16 0.00 -1.74 0.00 0.00 39.64 37.74 2dbk n ILE 22 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2dbk s GLN 23 N -3.10 1.85 0.38 6.28 -1.52 -1.04 -4.80 119.66 117.71 2dbk s GLN 23 Ca -0.04 -0.59 -0.28 0.00 -1.95 0.00 0.00 55.36 52.50 2dbk s GLN 23 Cb 0.10 -1.57 -0.11 0.00 -0.22 0.00 0.00 33.01 31.20 2dbk s GLN 23 CO 0.83 0.20 1.45 1.17 -0.25 0.00 0.00 175.29 178.69 2dbk n LYS 24 N 3.27 2.53 -4.32 2.91 4.81 -1.26 -4.66 118.16 121.44 2dbk n LYS 24 Ca -0.19 0.89 -0.34 0.00 -0.87 0.00 0.00 58.31 57.80 2dbk n LYS 24 Cb 0.53 -2.61 -0.14 0.00 0.02 0.00 0.00 35.03 32.83 2dbk n LYS 24 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2dbk s ARG 25 N -2.11 3.41 -0.46 1.64 1.81 -0.97 -4.98 118.95 117.28 2dbk s ARG 25 Ca 0.55 -0.64 0.04 0.00 -1.72 0.00 0.00 55.73 53.95 2dbk s ARG 25 Cb -0.49 -2.83 0.12 0.00 -0.45 0.00 0.00 34.95 31.30 2dbk s ARG 25 CO 0.63 0.02 0.19 0.08 -0.68 0.00 0.00 175.30 175.55 2dbk s VAL 26 N 0.87 2.44 0.71 3.52 1.01 -1.26 -3.54 120.40 124.15 2dbk s VAL 26 Ca -0.02 -2.99 -0.13 0.00 0.00 0.00 0.00 61.98 58.84 2dbk s VAL 26 Cb -0.15 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.53 2dbk s VAL 26 CO 0.01 -0.74 1.10 -2.16 0.00 0.00 0.00 175.10 173.31 2dbk s PRO 27 N 0.10 2.56 0.79 2.72 0.04 -1.26 -5.05 135.00 134.90 2dbk s PRO 27 Ca 0.15 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2dbk s PRO 27 Cb -0.24 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.46 2dbk s PRO 27 CO -0.03 -1.43 1.14 0.00 0.04 0.00 0.00 177.00 176.73 2dbk h ALA 29 N -0.98 0.71 0.00 0.00 0.00 -2.01 -3.03 119.26 113.94 2dbk h ALA 29 Ca -0.45 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.08 2dbk h ALA 29 Cb 1.31 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2dbk h ALA 29 CO 0.61 1.53 -0.28 2.48 0.00 0.00 0.00 179.25 183.60 2dbk n TYR 30 N -3.10 0.58 -0.08 0.00 0.18 -1.26 -3.96 117.16 109.52 2dbk n TYR 30 Ca -0.14 0.17 -0.23 0.00 1.88 0.00 0.00 57.90 59.58 2dbk n TYR 30 Cb 1.03 -0.71 -0.12 0.00 -0.38 0.00 0.00 39.34 39.16 2dbk n TYR 30 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2dbk n ASP 31 N -2.03 1.96 -1.99 9.48 8.00 -1.25 -4.92 116.55 125.80 2dbk n ASP 31 Ca 0.05 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2dbk n ASP 31 Cb 0.41 -0.88 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 2dbk n ASP 31 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dbk n LYS 32 N -4.04 -2.34 -0.02 -1.24 5.02 -1.15 -4.59 118.16 109.81 2dbk n LYS 32 Ca -0.36 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 55.90 2dbk n LYS 32 Cb 0.84 -4.20 -0.04 0.00 -0.02 0.00 0.00 35.03 31.62 2dbk n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2dbk n THR 33 N -1.98 0.33 -2.65 -0.18 -2.24 -1.26 -5.01 114.28 101.28 2dbk n THR 33 Ca 0.00 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 2dbk n THR 33 Cb 0.34 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.12 3.34 0.23 6.98 0.00 -1.26 0.07 121.76 129.00 2dbk s ALA 34 Ca -0.02 0.70 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 2dbk s ALA 34 Cb 0.01 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 2dbk s ALA 34 CO 0.20 0.02 0.86 -1.17 0.00 0.00 0.00 175.76 175.67 2dbk s LEU 35 N -0.87 4.54 -0.15 0.00 0.20 -1.14 -4.68 118.68 116.57 2dbk s LEU 35 Ca 0.44 1.76 -0.13 0.00 0.69 0.00 0.00 54.13 56.90 2dbk s LEU 35 Cb -0.27 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 41.87 2dbk s LEU 35 CO 0.34 0.12 0.26 0.00 -0.29 0.00 0.00 176.35 176.78 2dbk s ALA 36 N -1.29 3.64 0.13 5.97 0.00 -1.26 -4.71 121.76 124.25 2dbk s ALA 36 Ca 0.41 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2dbk s ALA 36 Cb -0.23 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2dbk s ALA 36 CO 0.27 0.18 -0.00 -0.51 0.00 0.00 0.00 175.76 175.70 2dbk s LEU 37 N 0.20 2.14 -0.06 0.00 1.43 -1.23 -4.97 118.68 116.18 2dbk s LEU 37 Ca 0.15 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.16 2dbk s LEU 37 Cb -0.13 0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.16 2dbk s LEU 37 CO 0.03 -0.60 -0.19 -1.61 0.23 0.00 0.00 176.35 174.22 2dbk s GLU 38 N -3.94 2.19 -0.50 1.70 2.02 -1.26 -2.29 118.70 116.62 2dbk s GLU 38 Ca 0.20 -0.67 -0.33 0.00 0.02 0.00 0.00 54.97 54.19 2dbk s GLU 38 Cb 0.07 -1.79 -0.16 0.00 0.10 0.00 0.00 34.13 32.35 2dbk s GLU 38 CO -0.00 0.19 1.83 0.28 0.02 0.00 0.00 175.26 177.58 2dbk n VAL 39 N 3.37 0.00 0.00 2.63 0.31 -1.26 -2.03 118.33 121.36 2dbk n VAL 39 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2dbk n VAL 39 Cb 0.53 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 5.80 0.92 3.13 2.92 0.00 -0.12 -5.03 105.19 112.80 2dbk n GLY 40 Ca 0.46 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.74 1.78 -0.26 1.61 -1.08 -0.86 -4.95 116.67 111.17 2dbk s ASP 41 Ca 0.00 -0.28 -0.26 0.00 -0.52 0.00 0.00 52.55 51.49 2dbk s ASP 41 Cb 0.00 -0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.26 2dbk s ASP 41 CO 0.00 0.18 0.90 -0.63 0.52 0.00 0.00 175.17 176.14 2dbk s ILE 42 N -0.36 4.76 -0.39 4.11 -1.09 -1.26 -0.53 121.20 126.43 2dbk s ILE 42 Ca 0.06 1.63 -0.14 0.00 -2.23 0.00 0.00 60.65 59.97 2dbk s ILE 42 Cb -0.06 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2dbk s ILE 42 CO -0.01 -0.16 0.27 -0.69 -1.23 0.00 0.00 174.94 173.12 2dbk s VAL 43 N 3.02 5.09 -0.45 2.92 1.01 0.95 -4.87 120.40 128.08 2dbk s VAL 43 Ca 0.38 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 2dbk s VAL 43 Cb -0.15 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2dbk s VAL 43 CO 0.09 -0.26 0.63 -0.75 0.00 0.00 0.00 175.10 174.81 2dbk s LYS 44 N 1.65 3.24 -0.13 2.72 2.36 -1.26 -1.01 119.74 127.32 2dbk s LYS 44 Ca 0.04 -0.47 -0.03 0.00 -2.55 0.00 0.00 55.97 52.96 2dbk s LYS 44 Cb -0.19 -3.97 -0.03 0.00 -1.05 0.00 0.00 37.83 32.59 2dbk s LYS 44 CO 0.09 -1.04 -0.04 0.54 1.55 0.00 0.00 175.35 176.46 2dbk s VAL 45 N 2.77 3.93 -0.10 4.02 0.11 -0.86 -1.61 120.40 128.66 2dbk s VAL 45 Ca 0.21 -0.36 0.18 0.00 -2.93 0.00 0.00 61.98 59.08 2dbk s VAL 45 Cb -0.15 -2.70 -0.27 0.00 -1.53 0.00 0.00 36.38 31.74 2dbk s VAL 45 CO 0.18 0.52 0.25 0.35 -3.33 0.00 0.00 175.10 173.07 2dbk n THR 46 N 3.14 0.60 -4.31 5.04 -2.24 -1.15 -2.72 114.28 112.65 2dbk n THR 46 Ca -0.18 -0.60 -0.26 0.00 -2.27 0.00 0.00 64.05 60.74 2dbk n THR 46 Cb 0.53 -0.22 -0.17 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.91 1.71 -0.19 -0.78 1.81 -1.25 -4.93 118.95 112.41 2dbk s ARG 47 Ca -0.08 -0.38 -0.05 0.00 -1.72 0.00 0.00 55.73 53.50 2dbk s ARG 47 Cb 0.09 -1.54 -0.03 0.00 -0.45 0.00 0.00 34.95 33.02 2dbk s ARG 47 CO 0.78 -0.10 -0.01 -1.64 -0.68 0.00 0.00 175.30 173.66 2dbk s MET 48 N 1.10 3.64 0.51 3.54 -1.94 -1.26 -2.31 119.30 122.58 2dbk s MET 48 Ca -0.06 -0.51 -0.03 0.00 -1.71 0.00 0.00 55.69 53.37 2dbk s MET 48 Cb -0.14 -3.05 -0.00 0.00 2.01 0.00 0.00 34.83 33.64 2dbk s MET 48 CO -0.02 0.06 0.79 -0.80 -0.01 0.00 0.00 175.02 175.04 2dbk s ASN 49 N 0.86 5.82 0.17 3.03 0.01 -1.26 -5.01 114.94 118.56 2dbk s ASN 49 Ca 0.01 0.58 0.22 0.00 -0.71 0.00 0.00 52.86 52.96 2dbk s ASN 49 Cb -0.14 -1.75 -0.05 0.00 0.41 0.00 0.00 41.25 39.73 2dbk s ASN 49 CO 0.02 -0.82 0.97 0.00 -1.51 0.00 0.00 177.10 175.75 2dbk n ILE 50 N -2.32 0.63 -0.01 0.60 0.13 -1.26 -4.20 119.36 112.92 2dbk n ILE 50 Ca 0.02 -0.56 -0.12 0.00 -1.10 0.00 0.00 62.75 60.99 2dbk n ILE 50 Cb 0.57 -0.35 -0.08 0.00 -0.84 0.00 0.00 39.64 38.95 2dbk n ILE 50 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 2dbk h ASN 51 N 0.00 0.10 0.00 9.51 -1.07 -2.05 -3.48 115.58 118.59 2dbk h ASN 51 Ca -0.02 -0.30 0.00 0.00 0.07 0.00 0.00 56.30 56.06 2dbk h ASN 51 Cb 1.06 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 37.28 2dbk h ASN 51 CO 0.00 0.37 0.00 0.61 0.07 0.00 0.00 177.43 178.49 2dbk n GLY 52 N -0.31 2.28 3.72 9.14 0.00 -1.26 -5.13 105.19 113.63 2dbk n GLY 52 Ca -0.07 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2dbk n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dbk s GLN 53 N 0.00 4.54 0.47 1.61 -2.07 -1.26 -3.73 119.66 119.22 2dbk s GLN 53 Ca 0.00 1.26 0.08 0.00 -1.82 0.00 0.00 55.36 54.88 2dbk s GLN 53 Cb 0.00 -3.44 0.02 0.00 -1.09 0.00 0.00 33.01 28.50 2dbk s GLN 53 CO 0.00 0.03 0.49 -1.58 -1.32 0.00 0.00 175.29 172.91 2dbk s TRP 54 N 0.78 2.25 -0.28 9.60 0.51 -0.84 -4.05 118.94 126.91 2dbk s TRP 54 Ca 0.47 -0.60 -0.01 0.00 -2.12 0.00 0.00 56.10 53.85 2dbk s TRP 54 Cb -0.20 -2.16 0.05 0.00 -0.81 0.00 0.00 33.47 30.34 2dbk s TRP 54 CO 0.25 -0.44 -0.03 -2.00 -0.51 0.00 0.00 176.95 174.22 2dbk s GLU 55 N -4.30 2.44 0.20 4.98 2.12 -0.98 -2.59 118.70 120.57 2dbk s GLU 55 Ca 0.49 -1.24 0.02 0.00 0.36 0.00 0.00 54.97 54.59 2dbk s GLU 55 Cb -0.05 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 2dbk s GLU 55 CO 0.29 -0.58 0.02 0.20 -0.54 0.00 0.00 175.26 174.66 2dbk s GLY 56 N 1.23 1.37 -0.14 -1.50 0.00 -1.24 -2.91 107.32 104.12 2dbk s GLY 56 Ca -0.05 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.02 2dbk s GLY 56 CO -0.02 -1.56 -0.22 1.85 0.00 0.00 0.00 173.10 173.15 2dbk s GLU 57 N -3.94 3.02 -0.08 2.90 -6.30 -0.64 -3.23 118.70 110.44 2dbk s GLU 57 Ca 0.27 -0.85 -0.03 0.00 -2.50 0.00 0.00 54.97 51.86 2dbk s GLU 57 Cb 0.06 -2.45 0.04 0.00 0.00 0.00 0.00 34.13 31.79 2dbk s GLU 57 CO 0.07 -0.03 0.17 0.08 0.02 0.00 0.00 175.26 175.56 2dbk s VAL 58 N 0.86 -0.09 -1.46 3.70 1.01 0.21 -4.04 120.40 120.59 2dbk s VAL 58 Ca -0.06 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2dbk s VAL 58 Cb -0.15 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.96 2dbk s VAL 58 CO -0.03 0.08 0.92 0.59 0.00 0.00 0.00 175.10 176.67 2dbk n ASN 59 N 4.40 -6.29 -0.67 3.32 3.02 -1.26 -1.21 115.26 116.57 2dbk n ASN 59 Ca -0.23 -0.43 -0.09 0.00 -0.03 0.00 0.00 54.58 53.81 2dbk n ASN 59 Cb 0.52 -5.01 -0.04 0.00 -0.61 0.00 0.00 39.78 34.64 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 -1.79 1.01 3.25 7.41 0.00 -1.26 -4.99 105.19 108.81 2dbk n GLY 60 Ca -0.05 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.51 2.82 -0.23 1.61 3.00 -0.35 -5.11 118.95 118.18 2dbk s ARG 61 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 55.73 54.86 2dbk s ARG 61 Cb 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 34.95 32.75 2dbk s ARG 61 CO 0.00 0.28 -0.14 0.15 0.00 0.00 0.00 175.30 175.59 2dbk s LYS 62 N 0.09 2.51 0.24 3.54 1.02 -1.26 -0.62 119.74 125.26 2dbk s LYS 62 Ca -0.11 -1.14 -0.14 0.00 0.02 0.00 0.00 55.97 54.60 2dbk s LYS 62 Cb -0.16 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 2dbk s LYS 62 CO 0.06 -0.43 0.49 0.20 -0.92 0.00 0.00 175.35 174.76 2dbk s GLY 63 N 1.18 0.40 -0.21 -3.33 0.00 -1.20 -4.84 107.32 99.32 2dbk s GLY 63 Ca -0.04 -0.75 -0.25 0.00 0.00 0.00 0.00 44.72 43.69 2dbk s GLY 63 CO -0.08 -0.55 0.82 1.08 0.00 0.00 0.00 173.10 174.37 2dbk s LEU 64 N -2.99 4.12 0.04 0.66 1.43 0.11 -3.68 118.68 118.37 2dbk s LEU 64 Ca 0.20 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 54.47 2dbk s LEU 64 Cb -0.01 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2dbk s LEU 64 CO 0.07 -0.46 -0.25 0.72 0.23 0.00 0.00 176.35 176.66 2dbk s PHE 65 N 2.53 2.23 0.74 0.29 -0.71 -1.07 -2.90 117.98 119.10 2dbk s PHE 65 Ca 0.36 -0.41 -0.12 0.00 -1.04 0.00 0.00 56.93 55.73 2dbk s PHE 65 Cb -0.16 -1.34 0.04 0.00 -1.21 0.00 0.00 43.02 40.35 2dbk s PHE 65 CO 0.09 0.10 1.10 -1.25 -1.34 0.00 0.00 175.22 173.92 2dbk s PRO 66 N -1.17 2.40 -0.03 1.99 0.04 -1.26 -1.98 135.00 134.99 2dbk s PRO 66 Ca 0.11 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.44 2dbk s PRO 66 Cb -0.10 -1.91 -0.24 0.00 0.04 0.00 0.00 34.50 32.29 2dbk s PRO 66 CO 0.02 -1.54 0.70 0.27 0.04 0.00 0.00 177.00 176.48 2dbk h PHE 67 N -0.83 0.15 0.00 0.56 -0.00 -1.90 -3.32 116.94 111.60 2dbk h PHE 67 Ca -0.44 -0.11 0.00 0.00 -0.00 0.00 0.00 57.97 57.42 2dbk h PHE 67 Cb 1.23 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 37.18 2dbk h PHE 67 CO 0.57 1.19 0.00 -2.37 -0.00 0.00 0.00 178.31 177.70 2dbk n THR 68 N -3.21 1.27 -0.06 0.88 5.66 -1.26 -1.53 114.28 116.04 2dbk n THR 68 Ca -0.18 0.32 -0.05 0.00 -3.05 0.00 0.00 64.05 61.09 2dbk n THR 68 Cb 1.04 -1.20 -0.15 0.00 -1.55 0.00 0.00 70.33 68.47 2dbk n THR 68 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2dbk n HIS 69 N -1.42 0.16 -4.07 1.09 8.25 -1.25 -4.98 115.22 113.01 2dbk n HIS 69 Ca 0.02 0.06 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 2dbk n HIS 69 Cb 0.07 -0.92 -0.06 0.00 1.12 0.00 0.00 29.99 30.20 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 -2.74 3.25 -0.08 1.59 -7.23 -0.58 -2.51 120.40 112.09 2dbk s VAL 70 Ca -0.09 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2dbk s VAL 70 Cb 0.08 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 34.01 2dbk s VAL 70 CO 0.84 -0.21 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.55 2dbk s LYS 71 N -3.85 1.78 -0.04 4.82 2.47 -0.74 -4.87 119.74 119.31 2dbk s LYS 71 Ca 0.37 -0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 54.07 2dbk s LYS 71 Cb -0.04 -1.53 -0.03 0.00 -1.46 0.00 0.00 37.83 34.77 2dbk s LYS 71 CO 0.23 -0.03 1.07 0.42 0.16 0.00 0.00 175.35 177.20 2dbk s ILE 72 N 0.88 4.59 0.18 5.43 -1.09 -1.26 -2.60 121.20 127.33 2dbk s ILE 72 Ca -0.10 1.87 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 2dbk s ILE 72 Cb -0.15 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 2dbk s ILE 72 CO 0.01 0.06 0.15 2.22 -1.23 0.00 0.00 174.94 176.15 2dbk n PHE 73 N 4.57 -0.41 -3.55 3.97 -1.74 -1.26 -5.02 117.46 114.02 2dbk n PHE 73 Ca 0.08 -1.52 -0.39 0.00 -0.56 0.00 0.00 57.45 55.07 2dbk n PHE 73 Cb 0.49 0.15 -0.04 0.00 1.52 0.00 0.00 39.48 41.59 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 -2.27 6.41 0.52 5.98 1.01 -1.26 -4.83 116.67 122.23 2dbk s ASP 74 Ca 0.21 -3.70 0.31 0.00 0.71 0.00 0.00 52.55 50.08 2dbk s ASP 74 Cb 0.01 -2.00 1.28 0.00 1.01 0.00 0.00 42.92 43.23 2dbk s ASP 74 CO 0.15 -0.21 1.96 1.55 0.21 0.00 0.00 175.17 178.83 2dbk h PRO 75 N 6.19 0.00 -0.57 8.23 0.13 -1.96 -3.06 132.00 140.96 2dbk h PRO 75 Ca 0.17 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.46 2dbk h PRO 75 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2dbk h PRO 75 CO 0.91 0.07 0.58 1.96 -0.23 0.00 0.00 178.00 181.29 2dbk h GLN 76 N 0.00 0.00 -6.11 0.86 4.20 -1.98 -3.39 115.11 108.69 2dbk h GLN 76 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2dbk h GLN 76 Cb 0.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 2dbk h GLN 76 CO 0.01 0.00 -0.02 -0.80 -0.67 0.00 0.00 178.83 177.35 2dbk s ASN 77 N -5.05 6.99 0.00 1.46 -0.87 -1.16 -4.95 114.94 111.36 2dbk s ASN 77 Ca -0.04 1.18 0.15 0.00 -1.57 0.00 0.00 52.86 52.57 2dbk s ASN 77 Cb 0.16 -2.36 0.77 0.00 -0.02 0.00 0.00 41.25 39.80 2dbk s ASN 77 CO 0.57 0.14 1.40 -0.81 -2.57 0.00 0.00 177.10 175.83 2dbk n PRO 78 N 2.51 0.24 -4.08 -0.60 -0.04 -1.26 -4.55 135.00 127.22 2dbk n PRO 78 Ca -0.08 0.13 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 2dbk n PRO 78 Cb 0.51 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 2dbk n PRO 78 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dbk s ASP 79 N -2.50 3.66 -0.54 3.54 -1.08 -1.26 -5.07 116.67 113.41 2dbk s ASP 79 Ca 0.15 -0.53 -0.03 0.00 -0.52 0.00 0.00 52.55 51.62 2dbk s ASP 79 Cb 0.10 -1.59 0.14 0.00 -1.46 0.00 0.00 42.92 40.11 2dbk s ASP 79 CO 0.22 0.00 0.36 -0.70 0.52 0.00 0.00 175.17 175.57 2dbk s GLU 80 N 1.31 2.37 0.03 4.34 2.12 -1.26 -5.03 118.70 122.58 2dbk s GLU 80 Ca 0.04 -2.23 -0.30 0.00 0.36 0.00 0.00 54.97 52.84 2dbk s GLU 80 Cb -0.14 -3.70 -0.08 0.00 0.26 0.00 0.00 34.13 30.47 2dbk s GLU 80 CO -0.08 -1.14 1.76 0.54 -0.54 0.00 0.00 175.26 175.81 2dbk s ASN 81 N 1.25 6.56 0.03 -1.70 4.22 -1.26 -4.99 114.94 119.05 2dbk s ASN 81 Ca 0.13 2.50 0.03 0.00 -2.14 0.00 0.00 52.86 53.37 2dbk s ASN 81 Cb -0.21 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.75 2dbk s ASN 81 CO -0.04 -0.96 -0.09 -1.61 -2.04 0.00 0.00 177.10 172.37 2dbk s GLU 82 N 3.58 0.59 -0.18 3.55 2.02 -1.26 -5.14 118.70 121.86 2dbk s GLU 82 Ca 0.79 -0.61 -0.09 0.00 0.02 0.00 0.00 54.97 55.08 2dbk s GLU 82 Cb -0.39 -0.47 -0.05 0.00 0.10 0.00 0.00 34.13 33.32 2dbk s GLU 82 CO 0.35 0.11 0.11 -1.54 0.02 0.00 0.00 175.26 174.30 2dbk s SER 83 N -1.10 6.04 -0.64 -0.19 1.04 -1.26 -4.96 113.70 112.63 2dbk s SER 83 Ca -0.04 0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.47 2dbk s SER 83 Cb -0.07 -2.03 -0.17 0.00 0.10 0.00 0.00 66.02 63.85 2dbk s SER 83 CO 0.00 0.22 1.61 0.61 0.98 0.00 0.00 173.24 176.66 2dbk n GLY 84 N 3.23 -0.32 3.77 7.32 0.00 -1.26 -4.82 105.19 113.10 2dbk n GLY 84 Ca -0.17 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 5.32 2.53 -0.10 1.61 0.04 -1.26 -5.03 135.00 138.10 2dbk s PRO 85 Ca 0.86 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2dbk s PRO 85 Cb -0.71 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2dbk s PRO 85 CO 0.33 -1.45 -0.22 0.43 0.04 0.00 0.00 177.00 176.14 2dbk n SER 86 N -2.97 1.32 -0.30 6.66 7.64 -1.26 -4.67 113.62 120.04 2dbk n SER 86 Ca 0.10 0.22 -0.06 0.00 1.01 0.00 0.00 58.87 60.13 2dbk n SER 86 Cb 0.52 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 2dbk n SER 86 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dbk n SER 87 N -3.82 -0.71 0.00 6.43 7.64 -1.26 -5.33 113.62 116.56 2dbk n SER 87 Ca -0.09 1.30 0.13 0.00 1.01 0.00 0.00 58.87 61.23 2dbk n SER 87 Cb 0.33 -0.20 0.78 0.00 -1.01 0.00 0.00 64.21 64.11 2dbk n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64