#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 1.61 -0.30 1.61 0.15 -1.26 -5.11 113.70 110.40 2dbk s SER 2 Ca 0.00 -0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 2dbk s SER 2 Cb 0.00 -0.69 0.16 0.00 -1.71 0.00 0.00 66.02 63.78 2dbk s SER 2 CO 0.00 -0.04 0.81 -0.55 1.20 0.00 0.00 173.24 174.66 2dbk s SER 3 N 1.07 -0.91 0.00 5.45 0.15 -1.26 -5.02 113.70 113.18 2dbk s SER 3 Ca -0.08 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2dbk s SER 3 Cb -0.14 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 2dbk s SER 3 CO -0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2dbk n GLY 4 N 5.28 0.85 0.27 9.45 0.00 -1.26 -5.07 105.19 114.71 2dbk n GLY 4 Ca -0.08 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 2dbk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbk n SER 5 N -0.44 1.69 -3.67 1.61 2.88 -1.26 -5.05 113.62 109.38 2dbk n SER 5 Ca 0.00 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 2dbk n SER 5 Cb 0.15 -0.69 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 2dbk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbk s SER 6 N -6.84 -0.70 0.53 -3.46 0.01 -1.26 -5.15 113.70 96.82 2dbk s SER 6 Ca -0.31 1.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.97 2dbk s SER 6 Cb 0.11 1.18 -0.05 0.00 0.21 0.00 0.00 66.02 67.46 2dbk s SER 6 CO 0.40 -0.21 1.33 -0.83 0.41 0.00 0.00 173.24 174.33 2dbk s GLY 7 N 0.96 2.87 0.00 3.44 0.00 -1.26 -5.02 107.32 108.31 2dbk s GLY 7 Ca -0.05 1.27 0.00 0.00 0.00 0.00 0.00 44.72 45.94 2dbk s GLY 7 CO -0.09 1.78 0.00 -1.55 0.00 0.00 0.00 173.10 173.25 2dbk n PRO 8 N -0.93 -0.19 -4.46 2.90 -0.04 -1.26 -5.08 135.00 125.93 2dbk n PRO 8 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2dbk n PRO 8 Cb 0.45 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.78 2dbk n PRO 8 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2dbk s LEU 9 N 0.00 2.17 -1.00 1.53 2.34 -1.26 -5.07 118.68 117.40 2dbk s LEU 9 Ca 0.00 -0.49 -0.24 0.00 0.06 0.00 0.00 54.13 53.46 2dbk s LEU 9 Cb 0.00 -0.76 -0.06 0.00 -0.56 0.00 0.00 46.19 44.81 2dbk s LEU 9 CO 0.00 0.08 1.95 -2.16 -1.06 0.00 0.00 176.35 175.16 2dbk s PRO 10 N -1.18 2.52 -0.05 1.48 0.04 -1.26 -4.93 135.00 131.63 2dbk s PRO 10 Ca 0.04 -0.58 0.06 0.00 0.04 0.00 0.00 61.00 60.56 2dbk s PRO 10 Cb -0.08 -5.12 -0.01 0.00 0.04 0.00 0.00 34.50 29.33 2dbk s PRO 10 CO 0.02 -3.60 -0.23 -1.12 0.04 0.00 0.00 177.00 172.11 2dbk s SER 11 N 7.54 2.78 -0.13 6.66 0.01 -1.26 -5.05 113.70 124.24 2dbk s SER 11 Ca 0.70 -0.46 -0.09 0.00 1.31 0.00 0.00 55.95 57.41 2dbk s SER 11 Cb -0.05 -0.71 -0.06 0.00 0.21 0.00 0.00 66.02 65.42 2dbk s SER 11 CO 0.04 0.23 0.03 0.71 0.41 0.00 0.00 173.24 174.66 2dbk h THR 12 N 5.05 0.28 -3.28 1.44 1.35 -2.07 -3.46 112.91 112.22 2dbk h THR 12 Ca -0.33 -1.26 -0.57 0.00 -0.55 0.00 0.00 66.41 63.70 2dbk h THR 12 Cb 1.17 0.57 -0.37 0.00 -1.73 0.00 0.00 68.15 67.79 2dbk h THR 12 CO 0.47 0.09 -0.81 -1.10 -0.25 0.00 0.00 175.52 173.93 2dbk s GLN 13 N -1.96 1.73 -0.03 4.72 -0.21 -1.26 -5.11 119.66 117.53 2dbk s GLN 13 Ca -0.10 -0.54 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 2dbk s GLN 13 Cb 0.01 -2.02 0.03 0.00 1.00 0.00 0.00 33.01 32.03 2dbk s GLN 13 CO 0.21 -0.36 0.06 1.21 -2.12 0.00 0.00 175.29 174.28 2dbk s ASN 14 N 1.57 0.15 0.87 5.90 2.47 -1.26 -5.11 114.94 119.53 2dbk s ASN 14 Ca 0.02 0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.39 2dbk s ASN 14 Cb -0.14 -0.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.63 2dbk s ASN 14 CO -0.08 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.76 2dbk n GLY 15 N 4.32 0.91 3.69 1.21 0.00 -1.26 -4.61 105.19 109.45 2dbk n GLY 15 Ca -0.25 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 4.28 0.13 1.61 0.04 -1.26 -4.99 135.00 134.81 2dbk s PRO 16 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2dbk s PRO 16 Cb 0.00 -3.51 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 2dbk s PRO 16 CO 0.00 -0.56 1.06 0.08 0.04 0.00 0.00 177.00 177.62 2dbk s VAL 17 N 2.15 4.15 -0.03 -0.36 1.01 -1.25 -4.98 120.40 121.09 2dbk s VAL 17 Ca 0.65 1.77 0.07 0.00 0.00 0.00 0.00 61.98 64.47 2dbk s VAL 17 Cb -0.33 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2dbk s VAL 17 CO 0.28 0.26 -0.25 -0.36 0.00 0.00 0.00 175.10 175.04 2dbk s PHE 18 N 0.07 2.39 -0.12 5.22 0.08 -1.26 -2.81 117.98 121.55 2dbk s PHE 18 Ca 0.50 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 2dbk s PHE 18 Cb -0.27 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.67 2dbk s PHE 18 CO 0.32 -0.06 -0.06 0.00 -0.10 0.00 0.00 175.22 175.31 2dbk s ALA 19 N -0.50 1.28 -0.08 5.36 0.00 -1.10 -3.27 121.76 123.45 2dbk s ALA 19 Ca 0.07 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 2dbk s ALA 19 Cb -0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2dbk s ALA 19 CO 0.00 -0.48 1.06 0.21 0.00 0.00 0.00 175.76 176.54 2dbk s LYS 20 N 1.73 4.42 -0.23 0.00 2.20 -0.22 -0.82 119.74 126.82 2dbk s LYS 20 Ca 0.04 1.47 -0.29 0.00 -0.36 0.00 0.00 55.97 56.83 2dbk s LYS 20 Cb -0.13 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 2dbk s LYS 20 CO -0.08 -0.32 1.59 0.00 -0.36 0.00 0.00 175.35 176.18 2dbk s ALA 21 N 1.95 3.27 -0.31 3.13 0.00 0.78 -1.51 121.76 129.08 2dbk s ALA 21 Ca 0.51 0.44 0.23 0.00 0.00 0.00 0.00 51.96 53.14 2dbk s ALA 21 Cb -0.20 -3.85 0.08 0.00 0.00 0.00 0.00 23.12 19.15 2dbk s ALA 21 CO 0.20 -1.94 1.15 -0.84 0.00 0.00 0.00 175.76 174.33 2dbk h ILE 22 N 6.14 0.00 -3.18 0.00 3.07 -1.86 -1.05 117.51 120.62 2dbk h ILE 22 Ca -0.33 -0.94 -0.42 0.00 1.55 0.00 0.00 64.86 64.72 2dbk h ILE 22 Cb 1.15 1.51 -0.14 0.00 -0.27 0.00 0.00 36.82 39.07 2dbk h ILE 22 CO 1.00 0.00 -0.62 -1.10 -1.05 0.00 0.00 178.15 176.39 2dbk s GLN 23 N -3.32 1.53 -0.17 0.16 -0.21 -1.22 -4.89 119.66 111.54 2dbk s GLN 23 Ca 0.01 -1.83 -0.22 0.00 0.02 0.00 0.00 55.36 53.34 2dbk s GLN 23 Cb 0.09 -0.66 -0.02 0.00 1.00 0.00 0.00 33.01 33.42 2dbk s GLN 23 CO 0.77 -0.20 0.69 0.21 -2.12 0.00 0.00 175.29 174.63 2dbk s LYS 24 N -3.93 4.26 -0.31 2.91 2.20 -1.26 -4.05 119.74 119.56 2dbk s LYS 24 Ca 0.36 0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 56.58 2dbk s LYS 24 Cb 0.08 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 2dbk s LYS 24 CO 0.14 -0.22 0.30 0.50 -0.36 0.00 0.00 175.35 175.70 2dbk s ARG 25 N 1.83 3.72 -0.43 4.03 6.06 -0.85 -5.02 118.95 128.29 2dbk s ARG 25 Ca 0.32 -0.37 0.03 0.00 -2.50 0.00 0.00 55.73 53.21 2dbk s ARG 25 Cb -0.16 -3.75 0.12 0.00 0.06 0.00 0.00 34.95 31.22 2dbk s ARG 25 CO 0.12 -0.38 0.19 0.08 -2.50 0.00 0.00 175.30 172.81 2dbk s VAL 26 N 1.90 1.91 0.21 7.11 1.01 -1.26 -3.23 120.40 128.06 2dbk s VAL 26 Ca 0.10 -2.64 -0.30 0.00 0.00 0.00 0.00 61.98 59.14 2dbk s VAL 26 Cb -0.16 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 2dbk s VAL 26 CO 0.11 -0.78 1.29 -2.16 0.00 0.00 0.00 175.10 173.56 2dbk s PRO 27 N 0.38 4.40 1.02 2.72 0.04 -1.26 -4.99 135.00 137.30 2dbk s PRO 27 Ca 0.15 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.10 2dbk s PRO 27 Cb -0.23 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.20 2dbk s PRO 27 CO -0.04 -0.22 0.36 0.00 0.04 0.00 0.00 177.00 177.13 2dbk h ALA 29 N -1.81 -0.33 -0.85 0.00 0.00 -2.02 -2.91 119.26 111.34 2dbk h ALA 29 Ca -0.48 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.34 2dbk h ALA 29 Cb 1.31 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2dbk h ALA 29 CO 0.37 -0.64 0.56 0.10 0.00 0.00 0.00 179.25 179.64 2dbk h TYR 30 N -0.41 1.07 -2.55 0.00 -0.00 -2.04 -3.41 116.97 109.62 2dbk h TYR 30 Ca -0.03 0.02 -0.54 0.00 -0.00 0.00 0.00 58.73 58.18 2dbk h TYR 30 Cb 0.31 -0.36 -0.00 0.00 -0.00 0.00 0.00 36.73 36.68 2dbk h TYR 30 CO -0.04 0.68 1.12 -0.51 -0.00 0.00 0.00 178.16 179.41 2dbk s ASP 31 N -6.27 6.60 -0.13 0.10 1.01 -1.10 -4.85 116.67 112.02 2dbk s ASP 31 Ca -0.12 2.32 0.03 0.00 0.71 0.00 0.00 52.55 55.49 2dbk s ASP 31 Cb 0.18 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.47 2dbk s ASP 31 CO 0.80 -0.97 -0.08 0.29 0.21 0.00 0.00 175.17 175.41 2dbk n LYS 32 N 7.25 0.83 0.23 8.23 4.76 -1.26 -4.53 118.16 133.67 2dbk n LYS 32 Ca 0.18 0.06 0.10 0.00 -2.87 0.00 0.00 58.31 55.78 2dbk n LYS 32 Cb 0.42 -1.28 0.57 0.00 -1.84 0.00 0.00 35.03 32.90 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 0.72 -2.41 -0.18 1.35 -1.93 -3.42 112.91 107.03 2dbk h THR 33 Ca -0.31 -0.87 -0.55 0.00 -0.55 0.00 0.00 66.41 64.13 2dbk h THR 33 Cb 1.54 1.54 -0.03 0.00 -1.73 0.00 0.00 68.15 69.47 2dbk h THR 33 CO -0.03 0.20 1.33 0.00 -0.25 0.00 0.00 175.52 176.77 2dbk s ALA 34 N -4.04 2.63 0.36 6.62 0.00 -1.26 0.51 121.76 126.57 2dbk s ALA 34 Ca -0.02 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 2dbk s ALA 34 Cb 0.13 -4.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.05 2dbk s ALA 34 CO 0.63 -3.03 1.28 -1.17 0.00 0.00 0.00 175.76 173.47 2dbk s LEU 35 N 7.78 4.35 -0.11 0.00 0.20 -1.06 -4.73 118.68 125.11 2dbk s LEU 35 Ca 0.79 2.62 -0.11 0.00 0.69 0.00 0.00 54.13 58.12 2dbk s LEU 35 Cb -0.21 -3.75 -0.05 0.00 -0.43 0.00 0.00 46.19 41.75 2dbk s LEU 35 CO 0.30 -0.61 0.25 0.00 -0.29 0.00 0.00 176.35 176.00 2dbk s ALA 36 N -1.20 3.72 0.16 5.97 0.00 -1.26 -4.71 121.76 124.43 2dbk s ALA 36 Ca 0.52 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 2dbk s ALA 36 Cb -0.38 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2dbk s ALA 36 CO 0.50 0.36 0.18 -0.51 0.00 0.00 0.00 175.76 176.29 2dbk s LEU 37 N -0.40 1.29 0.38 0.00 1.43 -1.20 -4.91 118.68 115.28 2dbk s LEU 37 Ca 0.17 -1.06 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2dbk s LEU 37 Cb -0.13 0.77 -0.07 0.00 0.03 0.00 0.00 46.19 46.79 2dbk s LEU 37 CO 0.05 -0.83 0.03 -1.83 0.23 0.00 0.00 176.35 174.00 2dbk s GLU 38 N -4.02 1.85 -0.33 1.70 1.03 -1.26 -2.02 118.70 115.66 2dbk s GLU 38 Ca 0.22 -2.05 -0.29 0.00 0.03 0.00 0.00 54.97 52.89 2dbk s GLU 38 Cb 0.05 -1.35 -0.01 0.00 -0.80 0.00 0.00 34.13 32.02 2dbk s GLU 38 CO 0.02 -0.11 1.61 0.08 -1.33 0.00 0.00 175.26 175.53 2dbk s VAL 39 N -2.93 3.70 0.00 1.83 1.01 -1.26 -2.68 120.40 120.08 2dbk s VAL 39 Ca 0.35 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2dbk s VAL 39 Cb 0.09 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2dbk s VAL 39 CO 0.17 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.39 2dbk n GLY 40 N 5.07 1.37 3.63 4.51 0.00 -0.40 -5.04 105.19 114.33 2dbk n GLY 40 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 4.89 -0.28 1.61 2.15 -1.09 -4.86 116.67 117.08 2dbk s ASP 41 Ca 0.00 0.04 -0.17 0.00 0.43 0.00 0.00 52.55 52.85 2dbk s ASP 41 Cb 0.00 -1.29 -0.03 0.00 -0.30 0.00 0.00 42.92 41.31 2dbk s ASP 41 CO 0.00 0.36 0.47 -0.63 -0.17 0.00 0.00 175.17 175.20 2dbk s ILE 42 N -0.85 5.10 -0.45 4.11 1.09 -1.26 -0.15 121.20 128.78 2dbk s ILE 42 Ca 0.13 0.68 -0.22 0.00 -1.10 0.00 0.00 60.65 60.14 2dbk s ILE 42 Cb -0.11 -3.81 0.03 0.00 -1.06 0.00 0.00 42.46 37.51 2dbk s ILE 42 CO 0.02 0.06 0.72 -0.69 -0.10 0.00 0.00 174.94 174.95 2dbk s VAL 43 N 2.24 4.73 -0.50 2.92 1.01 0.00 -4.88 120.40 125.92 2dbk s VAL 43 Ca 0.19 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 2dbk s VAL 43 Cb -0.16 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 31.99 2dbk s VAL 43 CO 0.10 -0.67 0.90 -0.75 0.00 0.00 0.00 175.10 174.68 2dbk s LYS 44 N 3.07 3.41 -0.16 2.72 2.20 -1.26 -2.71 119.74 127.02 2dbk s LYS 44 Ca 0.26 -0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.74 2dbk s LYS 44 Cb -0.13 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2dbk s LYS 44 CO 0.21 -1.32 -0.02 0.54 -0.36 0.00 0.00 175.35 174.39 2dbk s VAL 45 N 3.73 4.02 -0.21 4.02 0.11 -1.12 -1.53 120.40 129.42 2dbk s VAL 45 Ca 0.32 -0.31 0.14 0.00 -2.93 0.00 0.00 61.98 59.20 2dbk s VAL 45 Cb -0.12 -2.76 -0.20 0.00 -1.53 0.00 0.00 36.38 31.77 2dbk s VAL 45 CO 0.22 0.49 0.40 0.35 -3.33 0.00 0.00 175.10 173.23 2dbk n THR 46 N 3.47 0.00 -3.46 5.04 -2.24 -1.12 -3.74 114.28 112.23 2dbk n THR 46 Ca -0.17 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.06 2dbk n THR 46 Cb 0.52 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.79 0.88 -2.30 -0.78 0.63 -1.24 -5.06 116.66 107.00 2dbk n ARG 47 Ca -0.01 -3.61 -0.43 0.00 -0.92 0.00 0.00 57.85 52.88 2dbk n ARG 47 Cb 0.32 -1.76 -0.02 0.00 0.45 0.00 0.00 32.46 31.45 2dbk n ARG 47 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 2dbk s MET 48 N -0.79 3.46 1.06 -0.14 1.75 -1.26 -3.03 119.30 120.35 2dbk s MET 48 Ca 0.32 0.91 -0.14 0.00 -1.25 0.00 0.00 55.69 55.53 2dbk s MET 48 Cb 0.06 -4.08 0.22 0.00 2.84 0.00 0.00 34.83 33.87 2dbk s MET 48 CO -0.16 -1.72 1.10 -0.80 -0.65 0.00 0.00 175.02 172.80 2dbk s ASN 49 N 4.48 2.10 -0.19 1.11 0.01 -1.24 -5.01 114.94 116.20 2dbk s ASN 49 Ca 0.63 1.01 -0.02 0.00 -0.71 0.00 0.00 52.86 53.77 2dbk s ASN 49 Cb -0.14 -1.56 -0.21 0.00 0.41 0.00 0.00 41.25 39.74 2dbk s ASN 49 CO 0.31 -3.43 0.06 -0.38 -1.51 0.00 0.00 177.10 172.15 2dbk n ILE 50 N -4.35 1.63 -0.18 0.60 5.41 -1.26 -4.42 119.36 116.79 2dbk n ILE 50 Ca 0.07 -0.62 -0.03 0.00 1.00 0.00 0.00 62.75 63.18 2dbk n ILE 50 Cb 0.58 -1.56 0.04 0.00 -0.71 0.00 0.00 39.64 37.99 2dbk n ILE 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2dbk h ASN 51 N 0.03 -0.68 0.00 4.38 7.08 -2.03 -3.46 115.58 120.90 2dbk h ASN 51 Ca -0.50 0.18 0.00 0.00 -3.08 0.00 0.00 56.30 52.90 2dbk h ASN 51 Cb 1.97 0.40 0.00 0.00 -2.08 0.00 0.00 38.32 38.61 2dbk h ASN 51 CO -0.00 -0.23 0.00 0.61 -2.08 0.00 0.00 177.43 175.73 2dbk n GLY 52 N -1.41 1.19 3.72 9.14 0.00 -1.26 -5.13 105.19 111.43 2dbk n GLY 52 Ca 0.05 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 4.39 0.20 1.61 -0.21 -1.26 -4.41 119.66 119.98 2dbk s GLN 53 Ca 0.00 1.95 0.08 0.00 0.02 0.00 0.00 55.36 57.41 2dbk s GLN 53 Cb 0.00 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 2dbk s GLN 53 CO 0.00 -0.30 -0.01 -1.58 -2.12 0.00 0.00 175.29 171.28 2dbk s TRP 54 N 0.72 2.79 -0.40 0.91 0.51 -1.23 -3.69 118.94 118.55 2dbk s TRP 54 Ca 0.60 -0.17 -0.12 0.00 -2.12 0.00 0.00 56.10 54.29 2dbk s TRP 54 Cb -0.34 -1.33 0.04 0.00 -0.81 0.00 0.00 33.47 31.03 2dbk s TRP 54 CO 0.32 0.54 0.24 -2.00 -0.51 0.00 0.00 176.95 175.54 2dbk s GLU 55 N -3.11 2.81 0.22 4.98 2.12 -1.17 -3.09 118.70 121.46 2dbk s GLU 55 Ca 0.28 -1.17 0.04 0.00 0.36 0.00 0.00 54.97 54.48 2dbk s GLU 55 Cb -0.09 -3.80 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 2dbk s GLU 55 CO 0.18 -0.78 -0.02 0.20 -0.54 0.00 0.00 175.26 174.31 2dbk s GLY 56 N 1.75 1.49 -0.17 -1.50 0.00 -1.23 -2.78 107.32 104.87 2dbk s GLY 56 Ca 0.03 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.03 2dbk s GLY 56 CO 0.06 -1.65 -0.19 1.85 0.00 0.00 0.00 173.10 173.16 2dbk s GLU 57 N -3.85 3.02 -0.13 2.90 -6.30 -0.58 -2.91 118.70 110.85 2dbk s GLU 57 Ca 0.27 -0.82 -0.07 0.00 -2.50 0.00 0.00 54.97 51.85 2dbk s GLU 57 Cb 0.05 -2.57 0.05 0.00 0.00 0.00 0.00 34.13 31.66 2dbk s GLU 57 CO 0.08 -0.17 0.30 0.08 0.02 0.00 0.00 175.26 175.57 2dbk s VAL 58 N 1.20 -0.04 -0.99 3.70 1.01 0.26 -4.16 120.40 121.38 2dbk s VAL 58 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2dbk s VAL 58 Cb -0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 2dbk s VAL 58 CO -0.10 0.05 0.83 0.59 0.00 0.00 0.00 175.10 176.47 2dbk n ASN 59 N 4.23 -2.45 -3.90 3.32 3.02 -1.26 -2.72 115.26 115.51 2dbk n ASN 59 Ca -0.25 -0.53 -0.31 0.00 -0.03 0.00 0.00 54.58 53.47 2dbk n ASN 59 Cb 0.54 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 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 -1.13 -0.48 3.29 7.41 0.00 -1.26 -4.95 105.19 108.08 2dbk n GLY 60 Ca -0.22 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2dbk n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dbk s ARG 61 N -6.59 0.56 -0.16 1.61 3.52 -1.10 -5.15 118.95 111.63 2dbk s ARG 61 Ca 0.64 0.32 0.01 0.00 -0.13 0.00 0.00 55.73 56.56 2dbk s ARG 61 Cb -0.33 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.35 2dbk s ARG 61 CO 0.78 -0.11 -0.14 0.15 -0.81 0.00 0.00 175.30 175.18 2dbk s LYS 62 N -0.32 2.28 0.27 5.12 3.01 -1.26 -0.57 119.74 128.27 2dbk s LYS 62 Ca -0.05 -0.65 -0.14 0.00 -1.01 0.00 0.00 55.97 54.12 2dbk s LYS 62 Cb -0.03 -2.22 0.00 0.00 -1.01 0.00 0.00 37.83 34.57 2dbk s LYS 62 CO 0.02 -0.28 0.55 0.20 0.51 0.00 0.00 175.35 176.34 2dbk s GLY 63 N 1.45 0.45 -0.08 -3.33 0.00 -1.15 -4.90 107.32 99.76 2dbk s GLY 63 Ca 0.03 -0.79 -0.26 0.00 0.00 0.00 0.00 44.72 43.71 2dbk s GLY 63 CO -0.10 -0.51 0.82 1.08 0.00 0.00 0.00 173.10 174.38 2dbk s LEU 64 N -3.01 4.29 0.04 0.66 1.43 0.18 -3.54 118.68 118.72 2dbk s LEU 64 Ca 0.20 1.32 0.08 0.00 -1.03 0.00 0.00 54.13 54.70 2dbk s LEU 64 Cb -0.02 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 2dbk s LEU 64 CO 0.09 -0.24 -0.23 0.72 0.23 0.00 0.00 176.35 176.92 2dbk s PHE 65 N 1.27 2.04 0.27 0.29 -0.71 -1.18 -2.56 117.98 117.41 2dbk s PHE 65 Ca 0.42 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.62 2dbk s PHE 65 Cb -0.18 -1.23 -0.10 0.00 -1.21 0.00 0.00 43.02 40.30 2dbk s PHE 65 CO 0.19 0.09 1.25 -1.25 -1.34 0.00 0.00 175.22 174.16 2dbk s PRO 66 N -1.12 4.44 0.10 1.99 0.04 -1.26 -3.51 135.00 135.68 2dbk s PRO 66 Ca 0.09 2.05 0.27 0.00 0.04 0.00 0.00 61.00 63.45 2dbk s PRO 66 Cb -0.09 -3.15 1.01 0.00 0.04 0.00 0.00 34.50 32.31 2dbk s PRO 66 CO 0.02 -0.11 1.82 1.97 0.04 0.00 0.00 177.00 180.74 2dbk n PHE 67 N 1.55 0.43 1.73 0.56 -1.74 -1.26 -2.90 117.46 115.83 2dbk n PHE 67 Ca 0.02 0.13 0.14 0.00 -0.56 0.00 0.00 57.45 57.18 2dbk n PHE 67 Cb 0.43 -0.71 0.69 0.00 1.52 0.00 0.00 39.48 41.41 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 -1.85 0.02 -0.06 1.97 -2.24 -1.26 -3.66 114.28 107.20 2dbk n THR 68 Ca 0.06 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 2dbk n THR 68 Cb 0.36 -0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.40 0.00 -4.15 4.78 8.25 -1.14 -5.02 115.22 117.54 2dbk n HIS 69 Ca 0.20 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.43 2dbk n HIS 69 Cb 0.22 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 30.71 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 -2.28 4.22 -0.09 1.59 -7.23 -1.24 -3.19 120.40 112.18 2dbk s VAL 70 Ca -0.09 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2dbk s VAL 70 Cb 0.04 -3.23 -0.00 0.00 0.56 0.00 0.00 36.38 33.74 2dbk s VAL 70 CO 0.44 -0.27 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.98 2dbk s LYS 71 N -3.55 2.97 -0.33 4.82 2.20 -0.57 -4.86 119.74 120.42 2dbk s LYS 71 Ca 0.32 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 2dbk s LYS 71 Cb -0.08 -2.31 0.01 0.00 -1.51 0.00 0.00 37.83 33.94 2dbk s LYS 71 CO 0.23 0.23 1.19 0.42 -0.36 0.00 0.00 175.35 177.06 2dbk s ILE 72 N 0.22 4.30 0.31 5.43 -1.09 -1.26 -1.05 121.20 128.05 2dbk s ILE 72 Ca -0.14 1.47 0.11 0.00 -2.23 0.00 0.00 60.65 59.85 2dbk s ILE 72 Cb -0.17 -4.33 -0.05 0.00 -1.58 0.00 0.00 42.46 36.33 2dbk s ILE 72 CO 0.07 -0.55 -0.12 0.72 -1.23 0.00 0.00 174.94 173.83 2dbk s PHE 73 N 4.09 2.40 0.02 3.97 -0.71 -1.20 -4.98 117.98 121.56 2dbk s PHE 73 Ca 0.51 -0.38 -0.21 0.00 -1.04 0.00 0.00 56.93 55.80 2dbk s PHE 73 Cb -0.13 -1.19 -0.06 0.00 -1.21 0.00 0.00 43.02 40.43 2dbk s PHE 73 CO 0.21 0.64 0.63 0.34 -1.34 0.00 0.00 175.22 175.69 2dbk s ASP 74 N -3.58 7.04 0.00 1.98 2.15 -1.26 -4.65 116.67 118.34 2dbk s ASP 74 Ca 0.32 1.23 0.15 0.00 0.43 0.00 0.00 52.55 54.68 2dbk s ASP 74 Cb -0.02 -2.38 0.72 0.00 -0.30 0.00 0.00 42.92 40.93 2dbk s ASP 74 CO 0.17 0.11 1.42 -0.81 -0.17 0.00 0.00 175.17 175.89 2dbk n PRO 75 N 2.59 0.16 -2.25 4.34 -0.04 -1.26 -4.85 135.00 133.70 2dbk n PRO 75 Ca -0.06 0.17 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2dbk n PRO 75 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.33 -2.10 -0.95 0.54 6.02 -1.26 -4.63 117.38 113.68 2dbk n GLN 76 Ca 0.06 0.58 -0.21 0.00 -0.01 0.00 0.00 57.00 57.42 2dbk n GLN 76 Cb 0.13 -5.10 -0.11 0.00 1.02 0.00 0.00 30.24 26.17 2dbk n GLN 76 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2dbk n ASN 77 N -1.52 -0.25 0.00 1.08 4.13 -1.26 -4.67 115.26 112.76 2dbk n ASN 77 Ca -0.13 -0.07 0.07 0.00 1.68 0.00 0.00 54.58 56.13 2dbk n ASN 77 Cb 0.56 -0.48 0.33 0.00 -1.54 0.00 0.00 39.78 38.65 2dbk n ASN 77 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2dbk n PRO 78 N 4.62 0.08 -2.94 3.52 -0.04 -1.26 -4.73 135.00 134.25 2dbk n PRO 78 Ca 0.42 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.70 2dbk n PRO 78 Cb 0.05 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.85 7.37 -0.26 3.54 2.15 -1.26 -5.00 116.67 120.36 2dbk s ASP 79 Ca 0.09 1.63 0.01 0.00 0.43 0.00 0.00 52.55 54.71 2dbk s ASP 79 Cb 0.09 -2.51 0.07 0.00 -0.30 0.00 0.00 42.92 40.28 2dbk s ASP 79 CO 0.25 0.12 -0.03 -1.61 -0.17 0.00 0.00 175.17 173.73 2dbk s GLU 80 N -0.70 1.59 -0.18 4.34 2.02 -1.26 -4.99 118.70 119.52 2dbk s GLU 80 Ca 0.38 -1.19 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 2dbk s GLU 80 Cb -0.23 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.27 2dbk s GLU 80 CO 0.26 -0.69 -0.30 0.09 0.02 0.00 0.00 175.26 174.64 2dbk n ASN 81 N 4.59 1.91 -3.52 -0.19 5.03 -1.26 -5.09 115.26 116.72 2dbk n ASN 81 Ca -0.09 0.40 -0.09 0.00 0.87 0.00 0.00 54.58 55.68 2dbk n ASN 81 Cb 0.43 -0.78 -0.02 0.00 -1.02 0.00 0.00 39.78 38.39 2dbk n ASN 81 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2dbk s GLU 82 N -2.71 0.99 -0.03 3.52 1.03 -1.26 -5.17 118.70 115.07 2dbk s GLU 82 Ca -0.27 -0.40 0.01 0.00 0.03 0.00 0.00 54.97 54.35 2dbk s GLU 82 Cb 0.05 0.44 0.01 0.00 -0.80 0.00 0.00 34.13 33.82 2dbk s GLU 82 CO 0.39 -0.44 -0.04 -1.54 -1.33 0.00 0.00 175.26 172.30 2dbk s SER 83 N -2.60 0.77 -0.35 0.83 1.04 -1.26 -5.09 113.70 107.04 2dbk s SER 83 Ca 0.05 -0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.31 2dbk s SER 83 Cb -0.01 -0.28 0.20 0.00 0.10 0.00 0.00 66.02 66.03 2dbk s SER 83 CO -0.08 -0.01 1.05 -0.83 0.98 0.00 0.00 173.24 174.35 2dbk s GLY 84 N 0.53 -1.75 0.26 7.32 0.00 -1.26 -5.15 107.32 107.26 2dbk s GLY 84 Ca -0.06 0.74 -0.30 0.00 0.00 0.00 0.00 44.72 45.10 2dbk s GLY 84 CO -0.00 4.26 1.26 2.56 0.00 0.00 0.00 173.10 181.18 2dbk s PRO 85 N 1.31 4.43 0.20 2.90 0.04 -1.26 -5.04 135.00 137.58 2dbk s PRO 85 Ca 0.21 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.39 2dbk s PRO 85 Cb 0.09 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 2dbk s PRO 85 CO -0.12 -0.14 -0.11 -1.12 0.04 0.00 0.00 177.00 175.56 2dbk s SER 86 N -0.16 4.15 0.35 6.66 0.01 -1.26 -5.11 113.70 118.34 2dbk s SER 86 Ca 0.52 -0.66 -0.27 0.00 1.31 0.00 0.00 55.95 56.84 2dbk s SER 86 Cb -0.36 -0.65 -0.09 0.00 0.21 0.00 0.00 66.02 65.12 2dbk s SER 86 CO 0.43 0.08 1.19 -0.55 0.41 0.00 0.00 173.24 174.81 2dbk s SER 87 N -3.00 6.81 0.00 2.44 0.15 -1.26 -5.30 113.70 113.53 2dbk s SER 87 Ca 0.26 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.35 2dbk s SER 87 Cb -0.08 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2dbk s SER 87 CO 0.15 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.72