#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 -0.27 -0.25 1.61 1.04 -1.26 -5.14 113.70 109.44 2dbk s SER 2 Ca 0.00 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 2dbk s SER 2 Cb 0.00 1.44 0.09 0.00 0.10 0.00 0.00 66.02 67.66 2dbk s SER 2 CO 0.00 -0.30 0.57 -0.44 0.98 0.00 0.00 173.24 174.06 2dbk s SER 3 N 2.64 -0.79 0.00 7.02 0.01 -1.26 -5.11 113.70 116.22 2dbk s SER 3 Ca 0.14 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2dbk s SER 3 Cb -0.15 1.54 0.00 0.00 0.21 0.00 0.00 66.02 67.62 2dbk s SER 3 CO -0.20 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2dbk n GLY 4 N 4.86 -1.70 3.70 3.44 0.00 -1.26 -5.18 105.19 109.04 2dbk n GLY 4 Ca -0.16 0.97 -0.31 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 3.94 0.62 1.61 1.04 -1.26 -5.16 113.70 114.49 2dbk s SER 5 Ca 0.00 -1.55 0.06 0.00 0.48 0.00 0.00 55.95 54.94 2dbk s SER 5 Cb 0.00 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.41 2dbk s SER 5 CO 0.00 -0.71 0.85 -0.94 0.98 0.00 0.00 173.24 173.42 2dbk s SER 6 N -3.80 4.86 0.00 7.02 1.04 -1.26 -5.11 113.70 116.45 2dbk s SER 6 Ca 0.17 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2dbk s SER 6 Cb 0.05 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2dbk s SER 6 CO 0.09 -1.51 0.20 -0.83 0.98 0.00 0.00 173.24 172.17 2dbk s GLY 7 N -4.69 2.19 1.14 7.32 0.00 -1.26 -5.10 107.32 106.91 2dbk s GLY 7 Ca 0.63 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 44.43 2dbk s GLY 7 CO 0.41 -0.64 1.10 2.56 0.00 0.00 0.00 173.10 176.53 2dbk s PRO 8 N -1.98 -0.69 0.70 2.90 0.04 -1.26 -4.99 135.00 129.72 2dbk s PRO 8 Ca 0.28 0.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 2dbk s PRO 8 Cb -0.13 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dbk s PRO 8 CO 0.19 -3.40 1.27 -0.48 0.04 0.00 0.00 177.00 174.63 2dbk s LEU 9 N -6.79 3.44 -0.29 -3.56 0.05 -1.26 -4.90 118.68 105.37 2dbk s LEU 9 Ca 0.69 2.55 -0.29 0.00 0.05 0.00 0.00 54.13 57.13 2dbk s LEU 9 Cb -0.13 -4.61 -0.02 0.00 -2.05 0.00 0.00 46.19 39.38 2dbk s LEU 9 CO 0.57 -2.21 1.66 -2.16 -0.55 0.00 0.00 176.35 173.66 2dbk s PRO 10 N -3.61 3.57 -0.36 1.48 0.04 -1.26 -4.98 135.00 129.88 2dbk s PRO 10 Ca 0.80 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 2dbk s PRO 10 Cb -0.35 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.10 2dbk s PRO 10 CO 0.43 -1.57 0.21 0.45 0.04 0.00 0.00 177.00 176.56 2dbk s SER 11 N 4.96 5.76 0.31 6.66 0.15 -1.26 -4.96 113.70 125.32 2dbk s SER 11 Ca 0.73 -0.82 0.08 0.00 0.70 0.00 0.00 55.95 56.64 2dbk s SER 11 Cb -0.22 -2.04 0.84 0.00 -1.71 0.00 0.00 66.02 62.89 2dbk s SER 11 CO 0.32 -0.33 1.71 0.00 1.20 0.00 0.00 173.24 176.13 2dbk h THR 12 N 5.76 0.49 -1.56 6.45 1.03 -2.05 -3.43 112.91 119.60 2dbk h THR 12 Ca -0.28 -0.17 0.07 0.00 -0.01 0.00 0.00 66.41 66.03 2dbk h THR 12 Cb 1.12 -0.04 -0.26 0.00 -1.07 0.00 0.00 68.15 67.90 2dbk h THR 12 CO 0.66 0.09 0.50 -1.58 -0.01 0.00 0.00 175.52 175.18 2dbk s GLN 13 N -5.81 0.50 -0.23 0.00 2.00 -1.26 -5.17 119.66 109.69 2dbk s GLN 13 Ca -0.11 0.44 -0.16 0.00 -2.00 0.00 0.00 55.36 53.54 2dbk s GLN 13 Cb 0.27 0.24 0.07 0.00 0.80 0.00 0.00 33.01 34.39 2dbk s GLN 13 CO 0.79 -0.09 0.57 0.54 -0.50 0.00 0.00 175.29 176.60 2dbk s ASN 14 N -0.15 -0.71 0.00 6.67 4.22 -1.26 -5.17 114.94 118.54 2dbk s ASN 14 Ca 0.02 1.22 0.00 0.00 -2.14 0.00 0.00 52.86 51.96 2dbk s ASN 14 Cb -0.04 1.14 0.00 0.00 1.28 0.00 0.00 41.25 43.64 2dbk s ASN 14 CO -0.05 -0.21 0.00 0.61 -2.04 0.00 0.00 177.10 175.41 2dbk n GLY 15 N 3.75 2.15 3.72 0.45 0.00 -1.26 -4.98 105.19 109.02 2dbk n GLY 15 Ca -0.19 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 1.37 -0.12 1.61 0.04 -1.26 -5.04 135.00 129.60 2dbk s PRO 16 Ca 0.00 0.86 -0.10 0.00 0.04 0.00 0.00 61.00 61.80 2dbk s PRO 16 Cb 0.00 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2dbk s PRO 16 CO 0.00 -2.18 0.22 0.08 0.04 0.00 0.00 177.00 175.16 2dbk s VAL 17 N -2.93 5.36 -0.13 -0.36 1.01 -1.23 -5.05 120.40 117.07 2dbk s VAL 17 Ca 0.63 0.39 0.01 0.00 0.00 0.00 0.00 61.98 63.01 2dbk s VAL 17 Cb -0.18 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2dbk s VAL 17 CO 0.57 0.54 -0.17 -0.36 0.00 0.00 0.00 175.10 175.68 2dbk s PHE 18 N -0.53 2.72 -0.16 5.22 0.40 -1.26 -2.65 117.98 121.72 2dbk s PHE 18 Ca 0.16 -0.89 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 2dbk s PHE 18 Cb -0.13 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.61 2dbk s PHE 18 CO 0.05 -0.35 -0.18 0.00 0.70 0.00 0.00 175.22 175.44 2dbk s ALA 19 N 0.48 2.12 0.40 5.36 0.00 -1.00 -3.78 121.76 125.33 2dbk s ALA 19 Ca -0.12 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 2dbk s ALA 19 Cb -0.16 -1.10 -0.10 0.00 0.00 0.00 0.00 23.12 21.76 2dbk s ALA 19 CO 0.05 -0.32 0.98 0.21 0.00 0.00 0.00 175.76 176.69 2dbk s LYS 20 N 1.30 4.27 -0.48 0.00 2.20 -1.06 -0.43 119.74 125.53 2dbk s LYS 20 Ca 0.03 1.30 -0.22 0.00 -0.36 0.00 0.00 55.97 56.72 2dbk s LYS 20 Cb -0.13 -2.44 0.04 0.00 -1.51 0.00 0.00 37.83 33.78 2dbk s LYS 20 CO -0.11 -0.01 0.77 0.00 -0.36 0.00 0.00 175.35 175.64 2dbk s ALA 21 N -1.87 3.29 0.03 3.13 0.00 -0.91 -2.18 121.76 123.24 2dbk s ALA 21 Ca 0.58 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 51.38 2dbk s ALA 21 Cb -0.16 -3.48 -0.23 0.00 0.00 0.00 0.00 23.12 19.25 2dbk s ALA 21 CO 0.20 -2.03 0.93 -0.84 0.00 0.00 0.00 175.76 174.02 2dbk h ILE 22 N 5.95 1.23 -4.29 0.00 3.07 -1.92 0.56 117.51 122.12 2dbk h ILE 22 Ca -0.26 -3.00 -0.59 0.00 1.55 0.00 0.00 64.86 62.56 2dbk h ILE 22 Cb 1.09 2.63 -0.28 0.00 -0.27 0.00 0.00 36.82 39.99 2dbk h ILE 22 CO 0.98 0.73 -0.85 -1.58 -1.05 0.00 0.00 178.15 176.38 2dbk s GLN 23 N -2.65 1.52 0.26 0.16 2.00 -1.17 -4.79 119.66 115.00 2dbk s GLN 23 Ca -0.03 -0.85 -0.30 0.00 -2.00 0.00 0.00 55.36 52.19 2dbk s GLN 23 Cb 0.09 -1.55 -0.10 0.00 0.80 0.00 0.00 33.01 32.25 2dbk s GLN 23 CO 0.83 0.41 1.34 0.21 -0.50 0.00 0.00 175.29 177.58 2dbk s LYS 24 N -0.86 4.35 -0.22 1.67 2.20 -1.26 -4.60 119.74 121.02 2dbk s LYS 24 Ca 0.08 2.17 -0.06 0.00 -0.36 0.00 0.00 55.97 57.80 2dbk s LYS 24 Cb -0.08 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 2dbk s LYS 24 CO 0.01 -0.26 0.02 0.50 -0.36 0.00 0.00 175.35 175.26 2dbk s ARG 25 N -0.78 3.60 -0.45 4.03 3.00 -0.92 -4.98 118.95 122.44 2dbk s ARG 25 Ca 0.54 -0.52 0.03 0.00 -1.00 0.00 0.00 55.73 54.79 2dbk s ARG 25 Cb -0.39 -3.17 0.12 0.00 0.00 0.00 0.00 34.95 31.51 2dbk s ARG 25 CO 0.44 -0.11 0.19 0.08 0.00 0.00 0.00 175.30 175.91 2dbk s VAL 26 N 1.34 2.26 0.72 7.11 1.01 -1.26 -3.39 120.40 128.20 2dbk s VAL 26 Ca 0.05 -2.87 -0.12 0.00 0.00 0.00 0.00 61.98 59.03 2dbk s VAL 26 Cb -0.15 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2dbk s VAL 26 CO 0.02 -0.76 1.10 -2.16 0.00 0.00 0.00 175.10 173.30 2dbk s PRO 27 N 0.20 2.49 0.66 2.72 0.04 -1.26 -5.05 135.00 134.80 2dbk s PRO 27 Ca 0.15 1.26 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 2dbk s PRO 27 Cb -0.24 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2dbk s PRO 27 CO -0.03 -1.47 0.96 0.00 0.04 0.00 0.00 177.00 176.50 2dbk h ALA 29 N -0.43 -0.58 -0.04 0.00 0.00 -2.02 -2.79 119.26 113.40 2dbk h ALA 29 Ca -0.44 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2dbk h ALA 29 Cb 1.30 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2dbk h ALA 29 CO 0.59 -0.70 0.10 0.10 0.00 0.00 0.00 179.25 179.35 2dbk h TYR 30 N -0.83 0.00 -3.45 0.00 -0.00 -2.05 -3.39 116.97 107.25 2dbk h TYR 30 Ca -0.06 0.00 -0.60 0.00 -0.00 0.00 0.00 58.73 58.07 2dbk h TYR 30 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 36.73 37.18 2dbk h TYR 30 CO 0.00 0.00 0.02 0.34 -0.00 0.00 0.00 178.16 178.53 2dbk s ASP 31 N -5.30 6.61 -0.06 0.10 -1.08 -1.05 -4.91 116.67 110.98 2dbk s ASP 31 Ca -0.05 0.74 0.05 0.00 -0.52 0.00 0.00 52.55 52.77 2dbk s ASP 31 Cb 0.13 -2.31 -0.07 0.00 -1.46 0.00 0.00 42.92 39.20 2dbk s ASP 31 CO 0.43 -0.22 0.03 0.29 0.52 0.00 0.00 175.17 176.22 2dbk n LYS 32 N 4.89 2.92 0.21 4.34 4.01 -1.26 -4.48 118.16 128.78 2dbk n LYS 32 Ca -0.03 -0.01 0.08 0.00 -0.51 0.00 0.00 58.31 57.84 2dbk n LYS 32 Cb 0.50 -1.15 0.39 0.00 -0.51 0.00 0.00 35.03 34.27 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 0.00 0.69 -2.52 -0.18 1.35 -1.94 -3.43 112.91 106.89 2dbk h THR 33 Ca -0.15 -1.31 -0.57 0.00 -0.55 0.00 0.00 66.41 63.83 2dbk h THR 33 Cb 1.31 1.85 -0.02 0.00 -1.73 0.00 0.00 68.15 69.55 2dbk h THR 33 CO 0.01 0.28 1.31 0.00 -0.25 0.00 0.00 175.52 176.88 2dbk s ALA 34 N -3.61 2.77 0.16 6.62 0.00 -1.26 0.66 121.76 127.10 2dbk s ALA 34 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 2dbk s ALA 34 Cb 0.10 -4.05 -0.08 0.00 0.00 0.00 0.00 23.12 19.10 2dbk s ALA 34 CO 0.66 -2.78 1.19 -1.17 0.00 0.00 0.00 175.76 173.66 2dbk s LEU 35 N 7.32 4.44 -0.09 0.00 0.20 -1.13 -4.75 118.68 124.67 2dbk s LEU 35 Ca 0.82 2.18 -0.11 0.00 0.69 0.00 0.00 54.13 57.71 2dbk s LEU 35 Cb -0.23 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.88 2dbk s LEU 35 CO 0.33 -0.37 0.25 0.00 -0.29 0.00 0.00 176.35 176.27 2dbk s ALA 36 N 0.12 3.77 0.13 5.97 0.00 -1.26 -4.79 121.76 125.70 2dbk s ALA 36 Ca 0.54 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 2dbk s ALA 36 Cb -0.32 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2dbk s ALA 36 CO 0.35 0.48 0.14 -0.51 0.00 0.00 0.00 175.76 176.22 2dbk s LEU 37 N -0.78 1.54 -0.00 0.00 1.43 -1.22 -5.00 118.68 114.65 2dbk s LEU 37 Ca 0.18 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 2dbk s LEU 37 Cb -0.14 0.68 -0.03 0.00 0.03 0.00 0.00 46.19 46.74 2dbk s LEU 37 CO 0.07 -0.77 -0.19 -0.70 0.23 0.00 0.00 176.35 174.99 2dbk s GLU 38 N -3.98 2.20 -0.63 1.70 2.12 -1.26 -2.18 118.70 116.68 2dbk s GLU 38 Ca 0.17 -0.88 -0.40 0.00 0.36 0.00 0.00 54.97 54.21 2dbk s GLU 38 Cb 0.06 -2.20 -0.20 0.00 0.26 0.00 0.00 34.13 32.05 2dbk s GLU 38 CO -0.02 0.57 2.29 0.28 -0.54 0.00 0.00 175.26 177.84 2dbk n VAL 39 N 2.04 0.00 -0.23 3.70 0.31 -1.26 -0.83 118.33 122.07 2dbk n VAL 39 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2dbk n VAL 39 Cb 0.52 -0.52 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 7.22 1.32 3.28 2.92 0.00 0.19 -5.02 105.19 115.11 2dbk n GLY 40 Ca 0.58 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 2dbk n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dbk s ASP 41 N -2.10 4.15 0.00 1.61 1.11 -0.01 -4.82 116.67 116.62 2dbk s ASP 41 Ca 0.00 -0.43 -0.30 0.00 0.18 0.00 0.00 52.55 51.99 2dbk s ASP 41 Cb 0.00 -1.71 -0.07 0.00 1.07 0.00 0.00 42.92 42.22 2dbk s ASP 41 CO 0.00 -0.02 1.60 -0.63 1.18 0.00 0.00 175.17 177.30 2dbk s ILE 42 N 1.45 3.40 -0.48 0.77 -1.09 -1.26 -2.15 121.20 121.84 2dbk s ILE 42 Ca 0.06 0.70 -0.09 0.00 -2.23 0.00 0.00 60.65 59.09 2dbk s ILE 42 Cb -0.14 -3.45 0.12 0.00 -1.58 0.00 0.00 42.46 37.41 2dbk s ILE 42 CO -0.05 -0.03 0.35 -0.69 -1.23 0.00 0.00 174.94 173.30 2dbk s VAL 43 N 3.15 4.21 -0.51 2.92 1.01 0.43 -4.86 120.40 126.74 2dbk s VAL 43 Ca 0.72 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 2dbk s VAL 43 Cb -0.35 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2dbk s VAL 43 CO 0.30 -0.78 1.18 -0.75 0.00 0.00 0.00 175.10 175.04 2dbk s LYS 44 N 1.30 3.63 -0.09 2.72 2.20 -1.25 -2.38 119.74 125.87 2dbk s LYS 44 Ca 0.06 0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 56.12 2dbk s LYS 44 Cb -0.26 -3.96 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2dbk s LYS 44 CO -0.01 -1.52 -0.03 0.54 -0.36 0.00 0.00 175.35 173.97 2dbk s VAL 45 N 4.72 3.99 -0.14 4.02 0.11 -1.08 -1.77 120.40 130.25 2dbk s VAL 45 Ca 0.47 -0.36 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 2dbk s VAL 45 Cb -0.07 -2.68 -0.13 0.00 -1.53 0.00 0.00 36.38 31.97 2dbk s VAL 45 CO 0.30 0.58 -0.05 0.35 -3.33 0.00 0.00 175.10 172.94 2dbk n THR 46 N 2.47 0.87 -5.03 5.04 -2.24 -1.16 -3.58 114.28 110.65 2dbk n THR 46 Ca -0.18 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 60.85 2dbk n THR 46 Cb 0.53 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.31 3.13 -0.34 -0.78 1.81 -1.25 -4.98 118.95 114.23 2dbk s ARG 47 Ca -0.14 -0.83 0.03 0.00 -1.72 0.00 0.00 55.73 53.07 2dbk s ARG 47 Cb 0.05 -2.41 0.10 0.00 -0.45 0.00 0.00 34.95 32.24 2dbk s ARG 47 CO 0.43 0.16 0.06 -1.64 -0.68 0.00 0.00 175.30 173.64 2dbk s MET 48 N 0.41 1.64 0.63 3.54 -1.94 -1.26 -1.83 119.30 120.49 2dbk s MET 48 Ca -0.15 -1.82 -0.18 0.00 -1.71 0.00 0.00 55.69 51.83 2dbk s MET 48 Cb -0.17 -3.25 -0.01 0.00 2.01 0.00 0.00 34.83 33.40 2dbk s MET 48 CO 0.07 -0.93 1.24 -0.80 -0.01 0.00 0.00 175.02 174.59 2dbk s ASN 49 N 1.08 4.83 0.16 3.03 0.01 -1.23 -4.94 114.94 117.88 2dbk s ASN 49 Ca 0.09 2.46 -0.11 0.00 -0.71 0.00 0.00 52.86 54.58 2dbk s ASN 49 Cb -0.20 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.88 2dbk s ASN 49 CO -0.07 -1.84 1.60 0.40 -1.51 0.00 0.00 177.10 175.68 2dbk h ILE 50 N 0.57 1.27 -0.59 0.60 2.04 -1.99 -3.16 117.51 116.24 2dbk h ILE 50 Ca -0.50 -1.15 0.11 0.00 1.00 0.00 0.00 64.86 64.32 2dbk h ILE 50 Cb 1.31 0.98 -0.11 0.00 -0.74 0.00 0.00 36.82 38.25 2dbk h ILE 50 CO 0.54 0.41 -0.29 -1.13 0.00 0.00 0.00 178.15 177.67 2dbk h ASN 51 N 0.80 -1.00 0.00 1.72 -1.24 -2.06 -3.46 115.58 110.35 2dbk h ASN 51 Ca 0.14 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.37 2dbk h ASN 51 Cb 0.58 0.52 0.00 0.00 0.73 0.00 0.00 38.32 40.15 2dbk h ASN 51 CO 0.03 -0.28 0.00 0.61 -1.29 0.00 0.00 177.43 176.50 2dbk n GLY 52 N -1.44 2.34 3.70 1.57 0.00 -1.20 -5.12 105.19 105.05 2dbk n GLY 52 Ca 0.05 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 4.35 0.31 1.61 -0.21 -1.26 -4.52 119.66 119.93 2dbk s GLN 53 Ca 0.00 1.84 0.08 0.00 0.02 0.00 0.00 55.36 57.30 2dbk s GLN 53 Cb 0.00 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 2dbk s GLN 53 CO 0.00 -0.43 0.11 -1.58 -2.12 0.00 0.00 175.29 171.27 2dbk s TRP 54 N 1.82 2.76 -0.30 0.91 0.51 -1.26 -3.54 118.94 119.85 2dbk s TRP 54 Ca 0.60 -0.29 -0.09 0.00 -2.12 0.00 0.00 56.10 54.20 2dbk s TRP 54 Cb -0.30 -1.48 -0.01 0.00 -0.81 0.00 0.00 33.47 30.87 2dbk s TRP 54 CO 0.26 0.44 0.14 -2.00 -0.51 0.00 0.00 176.95 175.28 2dbk s GLU 55 N -3.80 3.42 0.04 4.98 2.12 -0.76 -3.52 118.70 121.17 2dbk s GLU 55 Ca 0.35 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 55.05 2dbk s GLU 55 Cb -0.05 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 2dbk s GLU 55 CO 0.22 -0.36 -0.08 0.20 -0.54 0.00 0.00 175.26 174.70 2dbk s GLY 56 N 1.62 0.50 -0.20 -1.50 0.00 -1.24 -3.00 107.32 103.51 2dbk s GLY 56 Ca 0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.97 2dbk s GLY 56 CO 0.06 -0.76 0.07 1.85 0.00 0.00 0.00 173.10 174.33 2dbk s GLU 57 N -1.42 3.95 -0.11 2.90 -6.30 -0.73 -3.03 118.70 113.96 2dbk s GLU 57 Ca -0.08 -0.35 -0.06 0.00 -2.50 0.00 0.00 54.97 51.98 2dbk s GLU 57 Cb -0.09 -3.27 0.05 0.00 0.00 0.00 0.00 34.13 30.82 2dbk s GLU 57 CO 0.00 0.19 0.27 0.08 0.02 0.00 0.00 175.26 175.83 2dbk s VAL 58 N 0.60 -0.03 -1.33 3.70 1.01 0.31 -3.85 120.40 120.81 2dbk s VAL 58 Ca 0.04 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 2dbk s VAL 58 Cb -0.13 -0.41 0.07 0.00 0.00 0.00 0.00 36.38 35.91 2dbk s VAL 58 CO 0.01 0.05 0.52 0.59 0.00 0.00 0.00 175.10 176.28 2dbk n ASN 59 N 4.12 -3.93 -0.64 3.32 3.02 -1.26 0.61 115.26 120.50 2dbk n ASN 59 Ca -0.24 -0.41 -0.08 0.00 -0.03 0.00 0.00 54.58 53.82 2dbk n ASN 59 Cb 0.54 -3.24 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 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 -1.22 0.77 2.96 7.41 0.00 -1.26 -5.01 105.19 108.83 2dbk n GLY 60 Ca -0.02 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.01 1.75 -0.28 1.61 1.81 0.20 -5.11 118.95 115.92 2dbk s ARG 61 Ca 0.00 -0.36 -0.03 0.00 -1.72 0.00 0.00 55.73 53.61 2dbk s ARG 61 Cb 0.00 -1.66 0.03 0.00 -0.45 0.00 0.00 34.95 32.87 2dbk s ARG 61 CO 0.00 -0.18 0.00 0.15 -0.68 0.00 0.00 175.30 174.59 2dbk s LYS 62 N 1.40 2.78 0.26 3.54 1.02 -1.26 -0.53 119.74 126.95 2dbk s LYS 62 Ca 0.00 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 54.83 2dbk s LYS 62 Cb -0.13 -3.16 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2dbk s LYS 62 CO -0.06 -0.48 0.50 0.20 -0.92 0.00 0.00 175.35 174.59 2dbk s GLY 63 N 1.36 0.55 -0.12 -3.33 0.00 -1.17 -4.93 107.32 99.68 2dbk s GLY 63 Ca -0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.58 2dbk s GLY 63 CO -0.01 -0.61 0.81 1.08 0.00 0.00 0.00 173.10 174.37 2dbk s LEU 64 N -3.03 4.24 0.05 0.66 1.43 0.21 -3.59 118.68 118.65 2dbk s LEU 64 Ca 0.22 1.23 0.08 0.00 -1.03 0.00 0.00 54.13 54.64 2dbk s LEU 64 Cb -0.01 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2dbk s LEU 64 CO 0.10 -0.29 -0.23 0.72 0.23 0.00 0.00 176.35 176.87 2dbk s PHE 65 N 1.59 2.04 -0.04 0.29 -0.71 -1.23 -2.84 117.98 117.07 2dbk s PHE 65 Ca 0.40 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.60 2dbk s PHE 65 Cb -0.17 -1.22 -0.05 0.00 -1.21 0.00 0.00 43.02 40.37 2dbk s PHE 65 CO 0.16 0.12 1.48 -1.25 -1.34 0.00 0.00 175.22 174.39 2dbk s PRO 66 N -1.24 4.23 0.00 1.99 0.04 -1.26 -4.00 135.00 134.75 2dbk s PRO 66 Ca 0.09 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2dbk s PRO 66 Cb -0.09 -3.76 0.05 0.00 0.04 0.00 0.00 34.50 30.74 2dbk s PRO 66 CO 0.02 -0.71 1.04 1.97 0.04 0.00 0.00 177.00 179.36 2dbk n PHE 67 N 6.24 0.00 0.84 0.56 -1.74 -1.26 -0.45 117.46 121.64 2dbk n PHE 67 Ca 0.15 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.17 2dbk n PHE 67 Cb 0.43 -0.50 0.36 0.00 1.52 0.00 0.00 39.48 41.29 2dbk n PHE 67 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2dbk n THR 68 N -1.50 0.18 0.04 1.97 -2.24 -1.26 -3.55 114.28 107.92 2dbk n THR 68 Ca 0.00 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 2dbk n THR 68 Cb 0.01 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.77 0.43 -4.44 4.78 8.25 0.40 -4.96 115.22 117.91 2dbk n HIS 69 Ca 0.05 0.12 -0.25 0.00 -0.26 0.00 0.00 57.72 57.39 2dbk n HIS 69 Cb 0.38 -0.71 -0.10 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.44 2.50 -0.06 1.59 -7.23 -1.22 -3.03 120.40 109.50 2dbk s VAL 70 Ca -0.05 -2.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.01 2dbk s VAL 70 Cb 0.12 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.42 2dbk s VAL 70 CO 0.86 -0.25 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.48 2dbk s LYS 71 N -3.63 1.99 0.01 4.82 2.20 -0.93 -4.87 119.74 119.32 2dbk s LYS 71 Ca 0.33 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 2dbk s LYS 71 Cb -0.00 -1.63 -0.03 0.00 -1.51 0.00 0.00 37.83 34.65 2dbk s LYS 71 CO 0.17 0.14 1.02 0.42 -0.36 0.00 0.00 175.35 176.74 2dbk s ILE 72 N 0.37 4.74 0.15 5.43 -1.09 -1.26 -2.58 121.20 126.96 2dbk s ILE 72 Ca -0.11 1.97 -0.02 0.00 -2.23 0.00 0.00 60.65 60.26 2dbk s ILE 72 Cb -0.15 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 2dbk s ILE 72 CO 0.04 0.15 0.09 0.72 -1.23 0.00 0.00 174.94 174.71 2dbk s PHE 73 N 1.06 0.91 -0.09 3.97 -0.71 -1.25 -5.01 117.98 116.86 2dbk s PHE 73 Ca 0.53 -1.25 -0.06 0.00 -1.04 0.00 0.00 56.93 55.12 2dbk s PHE 73 Cb -0.22 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 2dbk s PHE 73 CO 0.28 -0.57 0.14 0.16 -1.34 0.00 0.00 175.22 173.89 2dbk s ASP 74 N -3.07 6.29 0.36 1.98 1.47 -1.26 -4.68 116.67 117.76 2dbk s ASP 74 Ca 0.28 0.42 0.15 0.00 1.18 0.00 0.00 52.55 54.57 2dbk s ASP 74 Cb 0.07 -2.01 0.68 0.00 -0.34 0.00 0.00 42.92 41.32 2dbk s ASP 74 CO 0.04 0.37 1.77 1.55 0.68 0.00 0.00 175.17 179.59 2dbk h PRO 75 N 4.73 0.00 -6.69 2.11 0.13 -2.00 -3.47 132.00 126.82 2dbk h PRO 75 Ca -0.53 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.10 2dbk h PRO 75 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 2dbk h PRO 75 CO 0.60 0.42 -0.78 0.00 -0.23 0.00 0.00 178.00 178.00 2dbk n GLN 76 N -3.83 -0.95 -2.67 0.86 10.64 -1.26 -4.83 117.38 115.33 2dbk n GLN 76 Ca -0.01 0.07 -0.42 0.00 -1.83 0.00 0.00 57.00 54.81 2dbk n GLN 76 Cb 0.47 -2.91 -0.03 0.00 -0.86 0.00 0.00 30.24 26.91 2dbk n GLN 76 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2dbk s ASN 77 N -4.10 7.32 0.09 2.61 2.20 -1.26 -4.92 114.94 116.88 2dbk s ASN 77 Ca 0.01 1.69 0.17 0.00 -0.94 0.00 0.00 52.86 53.80 2dbk s ASN 77 Cb -0.01 -2.57 0.74 0.00 -2.00 0.00 0.00 41.25 37.41 2dbk s ASN 77 CO 0.81 -0.31 1.54 -0.81 -2.94 0.00 0.00 177.10 175.40 2dbk n PRO 78 N 4.02 0.07 -3.65 3.55 -0.04 -1.26 -4.77 135.00 132.93 2dbk n PRO 78 Ca 0.07 0.32 -0.14 0.00 -0.04 0.00 0.00 63.50 63.71 2dbk n PRO 78 Cb 0.50 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 2dbk n PRO 78 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dbk s ASP 79 N -3.44 -0.34 -0.73 3.54 -4.77 -1.26 -5.11 116.67 104.55 2dbk s ASP 79 Ca 0.06 0.15 -0.11 0.00 -3.30 0.00 0.00 52.55 49.34 2dbk s ASP 79 Cb 0.09 0.43 0.19 0.00 -1.09 0.00 0.00 42.92 42.54 2dbk s ASP 79 CO 0.30 -0.62 0.64 -0.70 0.70 0.00 0.00 175.17 175.49 2dbk s GLU 80 N -2.06 3.22 -0.04 2.11 -6.30 -1.26 -4.91 118.70 109.46 2dbk s GLU 80 Ca -0.08 -2.39 -0.24 0.00 -2.50 0.00 0.00 54.97 49.76 2dbk s GLU 80 Cb -0.02 -4.21 -0.18 0.00 0.00 0.00 0.00 34.13 29.72 2dbk s GLU 80 CO 0.01 -1.26 1.06 -2.95 0.02 0.00 0.00 175.26 172.14 2dbk h ASN 81 N 7.70 -0.11 -4.42 -1.70 7.08 -1.99 -3.46 115.58 118.67 2dbk h ASN 81 Ca 0.03 -0.44 -0.36 0.00 -3.08 0.00 0.00 56.30 52.45 2dbk h ASN 81 Cb 1.02 0.03 -0.20 0.00 -2.08 0.00 0.00 38.32 37.10 2dbk h ASN 81 CO 0.77 0.43 -0.75 -0.70 -2.08 0.00 0.00 177.43 175.09 2dbk s GLU 82 N -3.80 0.82 0.49 4.14 2.56 -1.26 -5.16 118.70 116.49 2dbk s GLU 82 Ca -0.15 -1.05 0.07 0.00 0.00 0.00 0.00 54.97 53.85 2dbk s GLU 82 Cb 0.01 -0.66 0.03 0.00 2.00 0.00 0.00 34.13 35.51 2dbk s GLU 82 CO 0.58 0.13 0.50 0.45 -0.56 0.00 0.00 175.26 176.35 2dbk s SER 83 N -2.09 4.97 0.00 -1.70 0.15 -1.26 -5.11 113.70 108.66 2dbk s SER 83 Ca 0.01 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2dbk s SER 83 Cb -0.07 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2dbk s SER 83 CO 0.01 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.10 2dbk n GLY 84 N -1.80 -0.31 0.00 9.45 0.00 -1.26 -4.66 105.19 106.61 2dbk n GLY 84 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.83 0.49 -3.85 1.61 -0.04 -1.26 -4.48 135.00 126.63 2dbk n PRO 85 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 2dbk n PRO 85 Cb 0.00 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 31.86 2dbk n PRO 85 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dbk s SER 86 N -1.97 5.05 0.59 3.54 0.01 -1.26 -5.10 113.70 114.56 2dbk s SER 86 Ca 0.22 -1.32 -0.00 0.00 1.31 0.00 0.00 55.95 56.16 2dbk s SER 86 Cb 0.10 -1.77 0.05 0.00 0.21 0.00 0.00 66.02 64.61 2dbk s SER 86 CO 0.17 -0.31 0.84 -0.94 0.41 0.00 0.00 173.24 173.40 2dbk s SER 87 N 1.36 5.11 0.00 2.44 1.04 -1.26 -4.46 113.70 117.93 2dbk s SER 87 Ca -0.03 0.03 0.20 0.00 0.48 0.00 0.00 55.95 56.64 2dbk s SER 87 Cb -0.20 -0.83 0.16 0.00 0.10 0.00 0.00 66.02 65.25 2dbk s SER 87 CO -0.00 -1.29 1.14 0.61 0.98 0.00 0.00 173.24 174.68