#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1heg s GLN 2 N 0.00 3.63 -0.16 0.54 -0.21 -1.26 -5.11 119.66 117.09 1heg s GLN 2 Ca 0.00 -0.51 -0.00 0.00 0.02 0.00 0.00 55.36 54.87 1heg s GLN 2 Cb 0.00 -2.91 0.04 0.00 1.00 0.00 0.00 33.01 31.14 1heg s GLN 2 CO 0.00 0.27 -0.07 0.42 -2.12 0.00 0.00 175.29 173.80 1heg s ILE 3 N 0.28 1.20 0.16 1.08 1.01 -1.26 -5.13 121.20 118.53 1heg s ILE 3 Ca -0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 1heg s ILE 3 Cb -0.14 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 40.94 1heg s ILE 3 CO 0.03 0.17 0.45 0.42 0.00 0.00 0.00 174.94 176.01 1heg s THR 4 N 1.60 5.05 -0.39 2.92 -4.23 -1.26 -5.03 115.64 114.30 1heg s THR 4 Ca 0.01 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1heg s THR 4 Cb -0.15 -3.63 0.31 0.00 1.34 0.00 0.00 72.50 70.37 1heg s THR 4 CO -0.08 0.07 1.93 0.18 -0.54 0.00 0.00 174.62 176.18 1heg n LEU 5 N 0.24 6.52 0.09 4.79 4.77 -1.26 -4.37 117.00 127.78 1heg n LEU 5 Ca -0.03 -3.42 -0.07 0.00 -0.03 0.00 0.00 56.01 52.46 1heg n LEU 5 Cb 0.52 -0.97 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1heg n LEU 5 CO 0.46 1.20 0.31 -0.50 -1.33 0.00 0.00 177.39 177.52 1heg h TRP 6 N 1.41 0.19 -4.06 -1.77 4.06 -2.06 -3.44 115.95 110.29 1heg h TRP 6 Ca 0.39 -0.10 -0.47 0.00 2.06 0.00 0.00 58.89 60.77 1heg h TRP 6 Cb 1.16 -0.02 -0.25 0.00 -1.00 0.00 0.00 29.16 29.05 1heg h TRP 6 CO 0.99 0.89 -0.80 -1.14 -3.56 0.00 0.00 178.44 174.82 1heg s GLN 7 N -3.27 1.01 0.25 0.49 0.74 -1.26 -5.11 119.66 112.52 1heg s GLN 7 Ca -0.02 -0.80 -0.28 0.00 0.05 0.00 0.00 55.36 54.31 1heg s GLN 7 Cb 0.11 -1.05 -0.15 0.00 1.10 0.00 0.00 33.01 33.02 1heg s GLN 7 CO 0.81 0.26 0.89 0.54 -0.55 0.00 0.00 175.29 177.24 1heg n ARG 8 N 1.87 0.97 -2.32 1.67 1.74 -1.26 -4.79 116.66 114.54 1heg n ARG 8 Ca -0.18 0.34 -0.35 0.00 -0.77 0.00 0.00 57.85 56.89 1heg n ARG 8 Cb 0.54 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1heg n ARG 8 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1heg s PRO 9 N -1.31 3.07 0.18 5.56 0.02 -1.26 -5.00 135.00 136.27 1heg s PRO 9 Ca 0.61 -0.56 0.05 0.00 0.02 0.00 0.00 61.00 61.13 1heg s PRO 9 Cb -0.78 -5.03 -0.04 0.00 0.02 0.00 0.00 34.50 28.67 1heg s PRO 9 CO 0.58 -2.69 0.15 -0.51 -0.33 0.00 0.00 177.00 174.20 1heg s LEU 10 N 7.35 3.80 0.05 -5.54 1.43 -1.26 -2.03 118.68 122.48 1heg s LEU 10 Ca 0.56 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.41 1heg s LEU 10 Cb -0.05 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1heg s LEU 10 CO -0.01 0.04 0.20 0.54 0.23 0.00 0.00 176.35 177.35 1heg s VAL 11 N -1.84 0.12 -0.16 -1.59 0.11 0.32 -4.96 120.40 112.40 1heg s VAL 11 Ca 0.31 -0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 58.19 1heg s VAL 11 Cb -0.10 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1heg s VAL 11 CO 0.24 -0.53 0.64 -0.89 -3.33 0.00 0.00 175.10 171.22 1heg s THR 12 N -2.92 5.04 0.17 5.04 2.01 -1.26 0.13 115.64 123.86 1heg s THR 12 Ca -0.02 1.24 0.06 0.00 0.31 0.00 0.00 61.69 63.27 1heg s THR 12 Cb 0.01 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1heg s THR 12 CO -0.06 0.16 -0.11 0.27 -0.69 0.00 0.00 174.62 174.19 1heg s ILE 13 N 1.52 1.37 -0.09 1.82 -4.36 0.12 -2.43 121.20 119.15 1heg s ILE 13 Ca 0.31 -2.12 -0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1heg s ILE 13 Cb -0.16 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.65 1heg s ILE 13 CO 0.12 -0.68 -0.01 -0.75 0.24 0.00 0.00 174.94 173.86 1heg s LYS 14 N -3.71 0.77 -0.05 0.37 2.20 -0.95 -1.86 119.74 116.49 1heg s LYS 14 Ca 0.19 0.00 -0.01 0.00 -0.36 0.00 0.00 55.97 55.79 1heg s LYS 14 Cb 0.01 -1.18 0.03 0.00 -1.51 0.00 0.00 37.83 35.19 1heg s LYS 14 CO 0.03 -0.33 0.01 0.42 -0.36 0.00 0.00 175.35 175.13 1heg s ILE 15 N 1.92 0.22 -0.49 5.43 1.01 -1.05 -1.47 121.20 126.77 1heg s ILE 15 Ca 0.04 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 1heg s ILE 15 Cb -0.13 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.97 1heg s ILE 15 CO -0.06 0.22 0.42 0.61 0.00 0.00 0.00 174.94 176.13 1heg n GLY 16 N 4.95 -0.62 3.88 6.18 0.00 -1.26 -1.60 105.19 116.72 1heg n GLY 16 Ca -0.10 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1heg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1heg n GLY 17 N -0.97 0.00 3.45 -0.02 0.00 -1.26 -4.96 105.19 101.42 1heg n GLY 17 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1heg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1heg s GLN 18 N -0.67 3.30 -0.46 1.61 -0.21 -0.63 -5.11 119.66 117.49 1heg s GLN 18 Ca 0.00 -0.61 -0.23 0.00 0.02 0.00 0.00 55.36 54.54 1heg s GLN 18 Cb 0.00 -2.69 0.03 0.00 1.00 0.00 0.00 33.01 31.35 1heg s GLN 18 CO 0.00 0.33 0.80 -0.51 -2.12 0.00 0.00 175.29 173.79 1heg s LEU 19 N 0.08 4.27 0.42 2.90 2.01 -1.26 -2.52 118.68 124.57 1heg s LEU 19 Ca -0.03 -0.18 0.04 0.00 0.01 0.00 0.00 54.13 53.97 1heg s LEU 19 Cb -0.14 -2.92 -0.05 0.00 0.01 0.00 0.00 46.19 43.09 1heg s LEU 19 CO 0.04 -0.95 0.04 -0.54 1.01 0.00 0.00 176.35 175.94 1heg s LYS 20 N 3.34 1.95 -0.04 1.70 3.01 -0.78 -4.97 119.74 123.95 1heg s LYS 20 Ca 0.29 -2.15 0.07 0.00 -1.01 0.00 0.00 55.97 53.17 1heg s LYS 20 Cb -0.12 -1.25 -0.02 0.00 -1.01 0.00 0.00 37.83 35.43 1heg s LYS 20 CO 0.22 -0.24 -0.25 -1.21 0.51 0.00 0.00 175.35 174.37 1heg s GLU 21 N -3.80 2.33 0.14 1.68 2.02 -1.25 0.13 118.70 119.94 1heg s GLU 21 Ca 0.25 -0.92 0.05 0.00 0.02 0.00 0.00 54.97 54.38 1heg s GLU 21 Cb 0.06 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 1heg s GLU 21 CO 0.13 0.47 -0.11 0.00 0.02 0.00 0.00 175.26 175.76 1heg s ALA 22 N -0.38 1.48 -0.24 5.21 0.00 0.36 -4.56 121.76 123.63 1heg s ALA 22 Ca 0.03 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.44 1heg s ALA 22 Cb -0.12 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1heg s ALA 22 CO 0.01 -0.04 0.15 -1.17 0.00 0.00 0.00 175.76 174.72 1heg s LEU 23 N -2.99 4.05 -0.40 0.00 0.20 -0.90 0.12 118.68 118.76 1heg s LEU 23 Ca 0.15 0.08 -0.29 0.00 0.69 0.00 0.00 54.13 54.76 1heg s LEU 23 Cb 0.00 -2.09 0.02 0.00 -0.43 0.00 0.00 46.19 43.70 1heg s LEU 23 CO 0.02 0.06 1.17 -0.76 -0.29 0.00 0.00 176.35 176.54 1heg s LEU 24 N 1.11 3.75 -0.33 -0.68 1.02 -0.86 -0.50 118.68 122.20 1heg s LEU 24 Ca 0.07 0.78 0.03 0.00 0.02 0.00 0.00 54.13 55.04 1heg s LEU 24 Cb -0.14 -3.55 0.10 0.00 0.02 0.00 0.00 46.19 42.62 1heg s LEU 24 CO 0.05 -1.14 0.05 -0.62 0.02 0.00 0.00 176.35 174.71 1heg s ASP 25 N 2.41 4.65 0.59 2.29 2.15 0.13 -4.83 116.67 124.07 1heg s ASP 25 Ca 0.50 -2.05 0.35 0.00 0.43 0.00 0.00 52.55 51.78 1heg s ASP 25 Cb -0.11 -1.53 1.88 0.00 -0.30 0.00 0.00 42.92 42.87 1heg s ASP 25 CO 0.26 -0.37 2.21 0.71 -0.17 0.00 0.00 175.17 177.80 1heg h THR 26 N 6.60 0.27 -0.40 1.71 1.35 -1.95 -2.73 112.91 117.76 1heg h THR 26 Ca -0.06 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1heg h THR 26 Cb 1.02 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1heg h THR 26 CO 0.51 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1heg n GLY 27 N -0.85 2.55 2.96 5.82 0.00 -1.26 -4.78 105.19 109.63 1heg n GLY 27 Ca -0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1heg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1heg s ALA 28 N -2.23 2.00 0.34 4.61 0.00 -1.03 -4.96 121.76 120.48 1heg s ALA 28 Ca 0.38 -1.32 0.24 0.00 0.00 0.00 0.00 51.96 51.26 1heg s ALA 28 Cb 0.29 -1.39 1.19 0.00 0.00 0.00 0.00 23.12 23.21 1heg s ALA 28 CO 0.11 -1.06 1.97 -0.44 0.00 0.00 0.00 175.76 176.33 1heg h ASP 29 N 7.95 0.00 -4.18 0.00 3.32 -1.86 0.77 116.42 122.42 1heg h ASP 29 Ca -0.21 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.46 1heg h ASP 29 Cb 1.08 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.45 1heg h ASP 29 CO 0.43 0.19 -0.75 -1.81 -1.72 0.00 0.00 179.24 175.59 1heg s ASP 30 N -6.31 1.80 -0.35 6.45 1.01 -1.26 -3.74 116.67 114.26 1heg s ASP 30 Ca -0.02 -0.80 -0.17 0.00 0.71 0.00 0.00 52.55 52.27 1heg s ASP 30 Cb 0.13 -0.04 -0.01 0.00 1.01 0.00 0.00 42.92 44.01 1heg s ASP 30 CO 0.62 -0.18 0.46 -0.89 0.21 0.00 0.00 175.17 175.39 1heg s THR 31 N -2.19 5.07 -0.09 -1.27 2.01 -1.26 -3.73 115.64 114.18 1heg s THR 31 Ca 0.07 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 1heg s THR 31 Cb -0.04 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.58 1heg s THR 31 CO 0.02 -0.18 -0.04 0.54 -0.69 0.00 0.00 174.62 174.27 1heg s VAL 32 N 2.25 0.73 0.05 3.82 0.11 -1.18 -1.16 120.40 125.02 1heg s VAL 32 Ca 0.16 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.16 1heg s VAL 32 Cb -0.16 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1heg s VAL 32 CO 0.13 0.31 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.27 1heg s LEU 33 N 1.68 2.20 0.00 2.54 1.43 -0.68 -1.54 118.68 124.31 1heg s LEU 33 Ca 0.02 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 1heg s LEU 33 Cb -0.13 -0.80 0.08 0.00 0.03 0.00 0.00 46.19 45.36 1heg s LEU 33 CO -0.06 0.08 0.17 -0.62 0.23 0.00 0.00 176.35 176.16 1heg n GLU 34 N 1.69 0.39 -2.49 1.70 1.02 -1.25 -1.04 120.64 120.66 1heg n GLU 34 Ca -0.18 -0.29 -0.43 0.00 -0.02 0.00 0.00 57.16 56.24 1heg n GLU 34 Cb 0.54 -0.94 -0.02 0.00 -0.02 0.00 0.00 31.44 30.99 1heg n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1heg s GLU 35 N -2.32 4.30 0.22 3.49 0.41 -1.25 -4.03 118.70 119.53 1heg s GLU 35 Ca 0.13 1.61 0.04 0.00 -0.41 0.00 0.00 54.97 56.34 1heg s GLU 35 Cb -0.02 -3.64 -0.05 0.00 -1.78 0.00 0.00 34.13 28.63 1heg s GLU 35 CO 0.11 -0.55 -0.02 0.54 -0.49 0.00 0.00 175.26 174.84 1heg s ASN 36 N 1.60 1.93 -0.63 -0.19 4.22 -1.26 -5.07 114.94 115.54 1heg s ASN 36 Ca 0.53 -1.19 -0.23 0.00 -2.14 0.00 0.00 52.86 49.84 1heg s ASN 36 Cb -0.22 -0.01 0.06 0.00 1.28 0.00 0.00 41.25 42.36 1heg s ASN 36 CO 0.17 -0.47 0.97 -0.55 -2.04 0.00 0.00 177.10 175.19 1heg s SER 37 N -3.30 6.21 -0.00 3.54 0.15 -1.26 -4.98 113.70 114.06 1heg s SER 37 Ca 0.27 -0.79 0.07 0.00 0.70 0.00 0.00 55.95 56.20 1heg s SER 37 Cb 0.05 -2.43 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1heg s SER 37 CO 0.08 -1.40 -0.23 -0.22 1.20 0.00 0.00 173.24 172.67 1heg s LEU 38 N 4.12 2.07 -0.05 3.45 2.96 -1.26 -5.01 118.68 124.96 1heg s LEU 38 Ca 0.25 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1heg s LEU 38 Cb -0.15 -1.14 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1heg s LEU 38 CO 0.13 0.26 -0.14 -2.16 -1.32 0.00 0.00 176.35 173.12 1heg s PRO 39 N -0.68 2.50 0.00 0.98 0.04 -1.26 -5.05 135.00 131.53 1heg s PRO 39 Ca 0.09 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.43 1heg s PRO 39 Cb -0.09 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1heg s PRO 39 CO -0.00 0.62 0.00 0.41 0.04 0.00 0.00 177.00 178.07 1heg n GLY 40 N 2.27 1.02 3.86 0.56 0.00 -1.26 -5.09 105.19 106.55 1heg n GLY 40 Ca -0.17 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 1heg n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1heg s ARG 41 N -1.08 3.83 0.29 1.61 3.00 -1.26 -5.08 118.95 120.26 1heg s ARG 41 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 55.73 56.03 1heg s ARG 41 Cb 0.00 -2.95 -0.05 0.00 0.00 0.00 0.00 34.95 31.95 1heg s ARG 41 CO 0.00 0.51 0.10 1.67 0.00 0.00 0.00 175.30 177.59 1heg s TRP 42 N -1.46 1.64 0.03 -0.53 1.48 -1.26 -4.72 118.94 114.12 1heg s TRP 42 Ca 0.36 -1.18 0.03 0.00 -1.06 0.00 0.00 56.10 54.25 1heg s TRP 42 Cb -0.14 -0.98 -0.02 0.00 -1.16 0.00 0.00 33.47 31.17 1heg s TRP 42 CO 0.19 -0.30 -0.09 0.15 -4.06 0.00 0.00 176.95 172.83 1heg s LYS 43 N -3.95 0.64 0.43 3.25 1.02 -1.00 -4.91 119.74 115.21 1heg s LYS 43 Ca 0.36 -0.61 -0.23 0.00 0.02 0.00 0.00 55.97 55.51 1heg s LYS 43 Cb 0.07 -0.55 -0.08 0.00 -0.52 0.00 0.00 37.83 36.75 1heg s LYS 43 CO 0.15 0.13 1.08 -1.25 -0.92 0.00 0.00 175.35 174.54 1heg s PRO 44 N -1.05 4.01 0.03 -1.68 0.04 -1.26 0.13 135.00 135.22 1heg s PRO 44 Ca -0.03 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.31 1heg s PRO 44 Cb -0.07 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 32.11 1heg s PRO 44 CO 0.01 -0.29 0.83 0.21 0.04 0.00 0.00 177.00 177.79 1heg s LYS 45 N -2.63 0.92 0.03 4.56 2.20 -0.97 -4.81 119.74 119.03 1heg s LYS 45 Ca 0.60 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.95 1heg s LYS 45 Cb -0.23 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1heg s LYS 45 CO 0.29 -0.40 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.04 1heg s MET 46 N -3.24 1.35 0.13 4.03 -1.94 -1.26 0.51 119.30 118.88 1heg s MET 46 Ca 0.04 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.17 1heg s MET 46 Cb -0.01 -1.42 -0.04 0.00 2.01 0.00 0.00 34.83 35.37 1heg s MET 46 CO -0.10 0.37 -0.03 0.96 -0.01 0.00 0.00 175.02 176.21 1heg s ILE 47 N -0.74 0.62 0.11 2.53 -5.25 -1.21 -5.00 121.20 112.26 1heg s ILE 47 Ca 0.07 -1.95 0.08 0.00 -0.99 0.00 0.00 60.65 57.86 1heg s ILE 47 Cb -0.08 -1.88 -0.04 0.00 2.95 0.00 0.00 42.46 43.41 1heg s ILE 47 CO 0.01 -0.69 -0.19 -0.83 -1.79 0.00 0.00 174.94 171.45 1heg s GLY 48 N -3.09 1.22 0.19 6.27 0.00 -1.26 -3.01 107.32 107.64 1heg s GLY 48 Ca 0.17 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1heg s GLY 48 CO -0.01 -1.29 0.15 0.61 0.00 0.00 0.00 173.10 172.56 1heg n GLY 49 N 0.92 3.42 0.21 0.20 0.00 -0.08 -4.98 105.19 104.88 1heg n GLY 49 Ca -0.18 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 1heg n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1heg h ILE 50 N 1.58 0.73 -0.04 -0.61 -0.00 -2.02 -2.51 117.51 114.64 1heg h ILE 50 Ca -0.14 -0.10 0.00 0.00 -0.00 0.00 0.00 64.86 64.62 1heg h ILE 50 Cb 0.68 0.41 0.00 0.00 -0.00 0.00 0.00 36.82 37.91 1heg h ILE 50 CO 0.20 0.05 0.00 0.61 -0.00 0.00 0.00 178.15 179.02 1heg n GLY 51 N -1.29 -0.66 0.00 0.16 0.00 -1.26 -5.05 105.19 97.09 1heg n GLY 51 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1heg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1heg n GLY 52 N 0.89 0.42 2.80 -0.02 0.00 -0.95 -5.08 105.19 103.25 1heg n GLY 52 Ca 0.15 -1.44 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 1heg n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1heg s PHE 53 N -3.22 -0.05 0.01 1.61 0.40 -1.26 -0.90 117.98 114.58 1heg s PHE 53 Ca 0.00 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.71 1heg s PHE 53 Cb 0.00 -0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.23 1heg s PHE 53 CO 0.00 -0.17 -0.03 0.96 0.70 0.00 0.00 175.22 176.68 1heg s ILE 54 N 1.61 3.89 0.18 0.64 -4.36 -1.16 -4.97 121.20 117.03 1heg s ILE 54 Ca -0.03 -0.74 -0.26 0.00 -0.26 0.00 0.00 60.65 59.36 1heg s ILE 54 Cb -0.12 -2.73 -0.08 0.00 1.25 0.00 0.00 42.46 40.77 1heg s ILE 54 CO -0.04 0.35 0.82 -0.54 0.24 0.00 0.00 174.94 175.76 1heg s LYS 55 N -1.59 4.63 0.47 0.37 1.02 -1.26 -3.35 119.74 120.03 1heg s LYS 55 Ca 0.19 1.23 0.02 0.00 0.02 0.00 0.00 55.97 57.44 1heg s LYS 55 Cb -0.11 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1heg s LYS 55 CO 0.10 0.55 0.05 0.14 -0.92 0.00 0.00 175.35 175.27 1heg s VAL 56 N -1.11 0.95 -0.16 3.17 -7.23 0.18 -4.62 120.40 111.58 1heg s VAL 56 Ca 0.37 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1heg s VAL 56 Cb -0.24 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.47 1heg s VAL 56 CO 0.28 0.00 -0.16 -0.60 -0.31 0.00 0.00 175.10 174.30 1heg s ARG 57 N -3.80 2.56 -0.50 4.82 3.52 -0.86 -2.30 118.95 122.39 1heg s ARG 57 Ca 0.14 -0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 54.89 1heg s ARG 57 Cb 0.02 -2.31 0.09 0.00 -1.56 0.00 0.00 34.95 31.19 1heg s ARG 57 CO 0.08 -0.24 0.46 -1.14 -0.81 0.00 0.00 175.30 173.65 1heg s GLN 58 N 1.40 3.00 -0.20 5.12 0.74 0.35 -1.05 119.66 129.02 1heg s GLN 58 Ca 0.05 -1.40 -0.11 0.00 0.05 0.00 0.00 55.36 53.94 1heg s GLN 58 Cb -0.13 -4.18 -0.05 0.00 1.10 0.00 0.00 33.01 29.75 1heg s GLN 58 CO -0.11 -1.15 0.19 0.71 -0.55 0.00 0.00 175.29 174.38 1heg s TYR 59 N 1.78 3.40 0.23 1.67 1.51 -1.10 -2.38 117.35 122.46 1heg s TYR 59 Ca 0.05 0.39 0.10 0.00 -1.01 0.00 0.00 57.07 56.60 1heg s TYR 59 Cb -0.25 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.30 1heg s TYR 59 CO 0.06 0.21 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.03 1heg s ASP 60 N 0.57 3.07 -1.29 2.29 1.01 -1.26 -1.42 116.67 119.64 1heg s ASP 60 Ca 0.11 -1.00 -0.08 0.00 0.71 0.00 0.00 52.55 52.28 1heg s ASP 60 Cb -0.12 -0.22 0.01 0.00 1.01 0.00 0.00 42.92 43.60 1heg s ASP 60 CO 0.01 -0.05 1.12 0.00 0.21 0.00 0.00 175.17 176.47 1heg n GLN 61 N -0.38 -7.56 -3.41 8.23 6.02 0.01 -4.90 117.38 115.39 1heg n GLN 61 Ca -0.07 0.79 -0.38 0.00 -0.01 0.00 0.00 57.00 57.32 1heg n GLN 61 Cb 0.60 -5.72 -0.06 0.00 1.02 0.00 0.00 30.24 26.08 1heg n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1heg s ILE 62 N -3.30 4.93 -0.11 5.09 -1.09 0.27 -4.80 121.20 122.19 1heg s ILE 62 Ca 0.54 0.98 -0.21 0.00 -2.23 0.00 0.00 60.65 59.73 1heg s ILE 62 Cb -0.24 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1heg s ILE 62 CO 0.69 0.56 0.61 -0.22 -1.23 0.00 0.00 174.94 175.35 1heg s LEU 63 N -1.00 4.27 -0.11 2.97 2.96 -1.26 -1.11 118.68 125.40 1heg s LEU 63 Ca 0.26 0.99 -0.06 0.00 -0.22 0.00 0.00 54.13 55.10 1heg s LEU 63 Cb -0.18 -2.91 0.04 0.00 0.50 0.00 0.00 46.19 43.65 1heg s LEU 63 CO 0.15 -0.10 0.26 -0.63 -1.32 0.00 0.00 176.35 174.71 1heg s ILE 64 N 0.94 -0.03 -0.35 6.68 1.01 -1.03 -4.29 121.20 124.14 1heg s ILE 64 Ca 0.32 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 1heg s ILE 64 Cb -0.16 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 41.92 1heg s ILE 64 CO 0.14 0.05 0.18 -1.61 0.00 0.00 0.00 174.94 173.70 1heg s GLU 65 N 1.06 3.06 -0.20 2.79 2.02 -0.54 -0.98 118.70 125.90 1heg s GLU 65 Ca -0.08 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 53.92 1heg s GLU 65 Cb -0.09 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 1heg s GLU 65 CO -0.07 -0.57 0.08 0.42 0.02 0.00 0.00 175.26 175.13 1heg s ILE 66 N 1.58 4.77 -1.05 -1.63 1.01 0.73 -2.25 121.20 124.36 1heg s ILE 66 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1heg s ILE 66 Cb -0.18 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.12 1heg s ILE 66 CO 0.07 0.42 0.10 0.00 0.00 0.00 0.00 174.94 175.53 1heg n GLY 68 N -2.06 1.33 3.29 0.00 0.00 -1.26 -4.99 105.19 101.50 1heg n GLY 68 Ca -0.20 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1heg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1heg s HIS 69 N -2.40 2.86 -0.04 1.61 4.02 1.01 -5.10 115.29 117.26 1heg s HIS 69 Ca 0.00 -0.99 -0.23 0.00 1.02 0.00 0.00 55.06 54.86 1heg s HIS 69 Cb 0.00 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.58 29.55 1heg s HIS 69 CO 0.00 -0.49 0.68 0.15 1.02 0.00 0.00 174.74 176.11 1heg s LYS 70 N 1.03 4.42 0.17 1.40 1.02 -1.26 0.26 119.74 126.78 1heg s LYS 70 Ca -0.01 0.87 -0.03 0.00 0.02 0.00 0.00 55.97 56.82 1heg s LYS 70 Cb -0.15 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 1heg s LYS 70 CO -0.02 0.16 0.15 0.00 -0.92 0.00 0.00 175.35 174.72 1heg s ALA 71 N 0.47 0.74 -0.05 5.17 0.00 -0.15 -4.93 121.76 123.00 1heg s ALA 71 Ca 0.36 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1heg s ALA 71 Cb -0.18 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1heg s ALA 71 CO 0.19 -0.57 0.01 0.42 0.00 0.00 0.00 175.76 175.80 1heg s ILE 72 N -4.07 0.23 0.00 0.00 1.01 -1.26 -2.46 121.20 114.65 1heg s ILE 72 Ca 0.28 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1heg s ILE 72 Cb 0.06 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1heg s ILE 72 CO 0.05 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1heg n GLY 73 N 4.90 2.24 3.74 6.18 0.00 -0.26 -4.90 105.19 117.09 1heg n GLY 73 Ca -0.11 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1heg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1heg s THR 74 N -2.98 5.09 -0.00 2.61 2.01 -1.26 -0.56 115.64 120.54 1heg s THR 74 Ca 0.00 1.11 0.04 0.00 0.31 0.00 0.00 61.69 63.15 1heg s THR 74 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1heg s THR 74 CO 0.00 0.35 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.46 1heg s VAL 75 N 0.38 0.95 -0.08 3.82 1.01 -0.51 -4.61 120.40 121.37 1heg s VAL 75 Ca 0.29 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1heg s VAL 75 Cb -0.16 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1heg s VAL 75 CO 0.14 0.22 -0.24 -0.76 0.00 0.00 0.00 175.10 174.45 1heg s LEU 76 N -0.41 2.08 -0.12 3.92 1.43 -0.31 -2.70 118.68 122.58 1heg s LEU 76 Ca 0.04 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1heg s LEU 76 Cb -0.05 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1heg s LEU 76 CO -0.00 0.19 0.00 -0.69 0.23 0.00 0.00 176.35 176.08 1heg s VAL 77 N 0.13 4.30 0.11 -1.59 1.01 -0.22 -1.69 120.40 122.46 1heg s VAL 77 Ca -0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1heg s VAL 77 Cb -0.16 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.41 1heg s VAL 77 CO 0.07 0.55 0.55 0.61 0.00 0.00 0.00 175.10 176.88 1heg n GLY 78 N 2.71 0.99 3.13 4.51 0.00 -0.20 -2.04 105.19 114.28 1heg n GLY 78 Ca -0.18 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1heg n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1heg n PRO 79 N -0.38 3.19 -4.13 1.61 -0.04 -1.26 -3.75 135.00 130.23 1heg n PRO 79 Ca -0.02 -3.18 -0.36 0.00 -0.04 0.00 0.00 63.50 59.90 1heg n PRO 79 Cb 0.32 -3.24 -0.08 0.00 -0.04 0.00 0.00 33.50 30.45 1heg n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1heg s THR 80 N 2.71 4.86 0.23 0.52 -1.32 -1.26 -5.04 115.64 116.33 1heg s THR 80 Ca 0.47 -0.04 -0.06 0.00 -1.21 0.00 0.00 61.69 60.85 1heg s THR 80 Cb 0.07 -3.09 0.18 0.00 -1.51 0.00 0.00 72.50 68.16 1heg s THR 80 CO -0.01 0.60 1.82 -0.65 -2.21 0.00 0.00 174.62 174.18 1heg h PRO 81 N 5.24 1.18 -4.08 7.08 0.11 -1.98 -3.44 132.00 136.11 1heg h PRO 81 Ca -0.51 -0.18 -0.21 0.00 0.11 0.00 0.00 66.00 65.21 1heg h PRO 81 Cb 1.21 -0.21 -0.22 0.00 0.11 0.00 0.00 31.00 31.88 1heg h PRO 81 CO 0.57 0.92 -0.71 0.14 -0.21 0.00 0.00 178.00 178.71 1heg s VAL 82 N -5.65 0.20 0.42 3.15 -7.23 -1.26 -5.09 120.40 104.94 1heg s VAL 82 Ca -0.12 -0.80 -0.23 0.00 -1.81 0.00 0.00 61.98 59.03 1heg s VAL 82 Cb 0.16 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.71 1heg s VAL 82 CO 0.83 -0.38 1.01 0.20 -0.31 0.00 0.00 175.10 176.45 1heg s ASN 83 N -1.24 6.74 -0.01 4.85 0.01 -1.26 -4.79 114.94 119.24 1heg s ASN 83 Ca -0.12 1.91 0.04 0.00 -0.71 0.00 0.00 52.86 53.98 1heg s ASN 83 Cb -0.08 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 1heg s ASN 83 CO -0.01 -0.50 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.34 1heg s ILE 84 N -1.85 0.90 -0.32 0.60 1.01 -0.59 -2.12 121.20 118.83 1heg s ILE 84 Ca 0.61 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 1heg s ILE 84 Cb -0.17 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.56 1heg s ILE 84 CO 0.22 0.25 0.11 -0.63 0.00 0.00 0.00 174.94 174.89 1heg s ILE 85 N -0.28 4.03 0.59 2.92 -1.09 0.35 -3.09 121.20 124.63 1heg s ILE 85 Ca 0.04 -0.86 0.07 0.00 -2.23 0.00 0.00 60.65 57.67 1heg s ILE 85 Cb -0.04 -3.17 0.09 0.00 -1.58 0.00 0.00 42.46 37.75 1heg s ILE 85 CO -0.00 -0.06 0.81 -0.83 -1.23 0.00 0.00 174.94 173.63 1heg s GLY 86 N 1.48 1.76 0.58 6.18 0.00 -1.24 -0.69 107.32 115.39 1heg s GLY 86 Ca 0.01 -1.98 0.30 0.00 0.00 0.00 0.00 44.72 43.05 1heg s GLY 86 CO 0.03 -1.53 2.23 3.21 0.00 0.00 0.00 173.10 177.04 1heg h ARG 87 N 0.07 0.00 0.00 2.90 3.08 -1.01 -2.05 114.38 117.36 1heg h ARG 87 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1heg h ARG 87 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1heg h ARG 87 CO 0.41 0.02 0.00 -2.95 -1.07 0.00 0.00 179.97 176.39 1heg h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.82 -2.79 115.58 116.95 1heg h ASN 88 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 1heg h ASN 88 Cb 0.07 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.29 1heg h ASN 88 CO 0.00 0.00 -1.58 0.18 0.07 0.00 0.00 177.43 176.10 1heg n LEU 89 N -2.33 2.46 0.32 6.14 4.77 -0.82 -4.56 117.00 122.98 1heg n LEU 89 Ca 0.02 -0.05 0.20 0.00 -0.03 0.00 0.00 56.01 56.15 1heg n LEU 89 Cb 0.22 -0.26 1.04 0.00 -2.33 0.00 0.00 43.42 42.09 1heg n LEU 89 CO 0.20 0.59 1.13 -0.07 -1.33 0.00 0.00 177.39 177.90 1heg h LEU 90 N 0.00 0.00 -0.31 2.23 3.38 -1.44 0.08 115.31 119.24 1heg h LEU 90 Ca -0.23 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.55 1heg h LEU 90 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1heg h LEU 90 CO -0.03 0.01 -0.85 0.71 0.09 0.00 0.00 178.44 178.38 1heg h THR 91 N 0.00 1.46 -0.27 0.22 1.35 -1.74 0.40 112.91 114.33 1heg h THR 91 Ca -0.00 -2.48 -0.13 0.00 -0.55 0.00 0.00 66.41 63.24 1heg h THR 91 Cb 0.12 2.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 1heg h THR 91 CO 0.00 0.73 -0.39 1.56 -0.25 0.00 0.00 175.52 177.17 1heg h GLN 92 N 0.15 0.62 -0.57 4.72 4.20 -1.22 -2.85 115.11 120.17 1heg h GLN 92 Ca -0.05 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1heg h GLN 92 Cb 1.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1heg h GLN 92 CO 0.13 0.91 0.00 0.44 -0.67 0.00 0.00 178.83 179.64 1heg n ILE 93 N -4.04 1.03 -3.87 2.54 -5.35 -1.14 -4.95 119.36 103.57 1heg n ILE 93 Ca -0.02 -0.75 -0.35 0.00 -0.27 0.00 0.00 62.75 61.37 1heg n ILE 93 Cb 0.51 0.12 0.02 0.00 -1.74 0.00 0.00 39.64 38.56 1heg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1heg n GLY 94 N 1.02 -0.78 3.71 3.28 0.00 -1.08 -4.99 105.19 106.36 1heg n GLY 94 Ca 0.17 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 1heg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1heg s THR 96 N 0.90 1.73 0.07 0.00 -4.23 -1.26 -4.79 115.64 108.07 1heg s THR 96 Ca 0.52 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1heg s THR 96 Cb -0.22 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1heg s THR 96 CO 0.28 -0.58 0.14 -0.22 -0.54 0.00 0.00 174.62 173.70 1heg s LEU 97 N -3.28 4.07 -0.02 4.79 2.96 -1.26 -5.10 118.68 120.83 1heg s LEU 97 Ca 0.22 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1heg s LEU 97 Cb -0.01 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.98 1heg s LEU 97 CO 0.07 0.17 0.12 0.20 -1.32 0.00 0.00 176.35 175.59 1heg s ASN 98 N -2.46 -0.03 0.00 3.68 0.01 -1.26 -5.29 114.94 109.58 1heg s ASN 98 Ca 0.32 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.46 1heg s ASN 98 Cb -0.13 0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.77 1heg s ASN 98 CO 0.25 -0.21 0.00 2.22 -1.51 0.00 0.00 177.10 177.85