#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4e s SER 2 N 0.00 3.44 -0.12 1.61 0.01 -1.26 -5.11 113.70 112.27 1x4e s SER 2 Ca 0.00 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 55.74 1x4e s SER 2 Cb 0.00 -0.63 0.10 0.00 0.21 0.00 0.00 66.02 65.70 1x4e s SER 2 CO 0.00 -0.38 0.82 -0.94 0.41 0.00 0.00 173.24 173.16 1x4e s SER 3 N 1.83 -0.54 0.00 2.44 1.04 -1.26 -5.01 113.70 112.20 1x4e s SER 3 Ca 0.05 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1x4e s SER 3 Cb -0.17 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x4e s SER 3 CO -0.21 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1x4e n GLY 4 N 0.99 2.59 3.16 7.32 0.00 -1.26 -5.09 105.19 112.90 1x4e n GLY 4 Ca -0.15 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1x4e n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4e s SER 5 N 2.00 1.37 0.05 1.61 0.01 -1.26 -4.86 113.70 112.61 1x4e s SER 5 Ca 0.00 -0.78 0.20 0.00 1.31 0.00 0.00 55.95 56.68 1x4e s SER 5 Cb 0.00 0.01 -0.16 0.00 0.21 0.00 0.00 66.02 66.08 1x4e s SER 5 CO 0.00 -0.26 0.71 -1.54 0.41 0.00 0.00 173.24 172.56 1x4e n SER 6 N 0.69 0.54 -4.73 2.44 3.41 -1.26 -4.49 113.62 110.22 1x4e n SER 6 Ca -0.17 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 1x4e n SER 6 Cb 0.57 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1x4e n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4e s GLY 7 N -4.69 2.29 0.24 5.00 0.00 -1.26 -2.13 107.32 106.77 1x4e s GLY 7 Ca -0.04 1.08 0.11 0.00 0.00 0.00 0.00 44.72 45.86 1x4e s GLY 7 CO 0.83 2.15 -0.20 1.08 0.00 0.00 0.00 173.10 176.97 1x4e s LEU 8 N 0.44 2.54 -0.27 0.66 1.43 0.14 -2.55 118.68 121.06 1x4e s LEU 8 Ca 0.59 -0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1x4e s LEU 8 Cb -0.36 -1.01 0.09 0.00 0.03 0.00 0.00 46.19 44.95 1x4e s LEU 8 CO 0.34 0.01 0.12 -0.47 0.23 0.00 0.00 176.35 176.58 1x4e s TYR 9 N -2.38 0.46 -0.28 0.29 6.14 0.23 -1.98 117.35 119.83 1x4e s TYR 9 Ca 0.25 -0.87 -0.11 0.00 0.64 0.00 0.00 57.07 56.99 1x4e s TYR 9 Cb -0.05 -0.95 -0.05 0.00 0.42 0.00 0.00 41.96 41.33 1x4e s TYR 9 CO 0.12 -0.78 0.18 0.42 0.64 0.00 0.00 175.55 176.13 1x4e s ILE 10 N 2.05 5.20 0.37 3.14 1.09 -0.22 -2.18 121.20 130.66 1x4e s ILE 10 Ca 0.08 0.13 0.07 0.00 -1.10 0.00 0.00 60.65 59.83 1x4e s ILE 10 Cb -0.16 -3.47 -0.00 0.00 -1.06 0.00 0.00 42.46 37.77 1x4e s ILE 10 CO -0.30 0.26 0.52 -0.13 -0.10 0.00 0.00 174.94 175.19 1x4e s ARG 11 N 1.72 2.99 -0.21 2.79 0.52 0.06 -0.06 118.95 126.76 1x4e s ARG 11 Ca 0.07 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1x4e s ARG 11 Cb -0.16 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1x4e s ARG 11 CO 0.10 -0.09 0.18 0.41 0.02 0.00 0.00 175.30 175.92 1x4e n GLY 12 N -1.74 0.44 0.00 -3.53 0.00 0.16 -4.22 105.19 96.30 1x4e n GLY 12 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1x4e n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4e n LEU 13 N -1.43 0.00 -4.82 0.99 4.77 -1.13 -5.01 117.00 110.38 1x4e n LEU 13 Ca -0.03 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.67 1x4e n LEU 13 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1x4e n LEU 13 CO 0.10 -0.26 -0.22 -1.10 -1.33 0.00 0.00 177.39 174.59 1x4e s GLN 14 N 0.41 2.99 0.00 3.23 1.11 -1.26 -4.79 119.66 121.36 1x4e s GLN 14 Ca 0.00 -0.74 0.15 0.00 0.01 0.00 0.00 55.36 54.78 1x4e s GLN 14 Cb 0.00 -2.74 0.76 0.00 -1.01 0.00 0.00 33.01 30.01 1x4e s GLN 14 CO 0.00 0.53 1.40 -0.35 0.01 0.00 0.00 175.29 176.88 1x4e n PRO 15 N -0.01 0.23 -0.12 2.91 -0.04 -1.26 -2.24 135.00 134.47 1x4e n PRO 15 Ca -0.08 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1x4e n PRO 15 Cb 0.53 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 1x4e n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4e n GLY 16 N -0.04 3.86 3.77 0.55 0.00 -1.26 -3.87 105.19 108.20 1x4e n GLY 16 Ca 0.07 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1x4e n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4e s THR 17 N -2.01 2.81 0.47 2.61 2.01 -0.95 -5.04 115.64 115.53 1x4e s THR 17 Ca 0.22 0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.88 1x4e s THR 17 Cb 0.18 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1x4e s THR 17 CO 0.05 0.02 0.05 0.42 -0.69 0.00 0.00 174.62 174.46 1x4e s THR 18 N -1.43 1.00 0.22 -0.82 -4.23 -1.26 -4.87 115.64 104.25 1x4e s THR 18 Ca 0.63 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 1x4e s THR 18 Cb -0.33 -2.27 0.18 0.00 1.34 0.00 0.00 72.50 71.42 1x4e s THR 18 CO 0.40 0.00 1.89 -2.24 -0.54 0.00 0.00 174.62 174.14 1x4e h ASP 19 N 1.53 0.93 -0.67 3.99 2.03 -1.96 -2.49 116.42 119.79 1x4e h ASP 19 Ca -0.41 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1x4e h ASP 19 Cb 1.30 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 39.53 1x4e h ASP 19 CO 0.68 0.67 0.42 1.56 -1.03 0.00 0.00 179.24 181.55 1x4e h GLN 20 N 1.10 0.90 -0.77 4.15 4.20 -1.96 -2.05 115.11 120.68 1x4e h GLN 20 Ca 0.30 -0.07 0.12 0.00 0.06 0.00 0.00 58.65 59.06 1x4e h GLN 20 Cb -0.12 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.41 1x4e h GLN 20 CO -0.07 0.62 0.51 0.22 -0.67 0.00 0.00 178.83 179.44 1x4e h ASP 21 N 0.91 0.53 -0.45 1.46 1.82 -1.85 -0.88 116.42 117.97 1x4e h ASP 21 Ca 0.24 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.77 1x4e h ASP 21 Cb -0.06 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 1x4e h ASP 21 CO -0.05 0.30 -0.23 -0.07 -1.61 0.00 0.00 179.24 177.58 1x4e h LEU 22 N 0.58 0.97 -0.20 2.28 3.38 -1.21 -2.44 115.31 118.66 1x4e h LEU 22 Ca 0.37 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1x4e h LEU 22 Cb 0.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1x4e h LEU 22 CO -0.14 1.17 0.13 0.58 0.09 0.00 0.00 178.44 180.27 1x4e h VAL 23 N 0.78 1.07 0.00 1.22 2.07 -0.90 -1.69 116.25 118.80 1x4e h VAL 23 Ca 0.10 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1x4e h VAL 23 Cb 0.81 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1x4e h VAL 23 CO 0.07 0.07 0.00 0.11 0.02 0.00 0.00 177.57 177.83 1x4e h LYS 24 N 0.26 0.00 -0.83 1.57 6.56 -1.38 0.52 116.57 123.27 1x4e h LYS 24 Ca 0.07 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1x4e h LYS 24 Cb -0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 1x4e h LYS 24 CO -0.01 0.00 0.50 1.25 -2.06 0.00 0.00 179.45 179.13 1x4e h LEU 25 N 0.00 0.99 -2.91 2.94 5.85 -0.79 -3.29 115.31 118.09 1x4e h LEU 25 Ca 0.00 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1x4e h LEU 25 Cb 0.33 -0.25 -0.30 0.00 0.37 0.00 0.00 40.66 40.81 1x4e h LEU 25 CO 0.00 0.76 -0.91 0.00 -0.34 0.00 0.00 178.44 177.95 1x4e h GLN 27 N 0.90 -1.04 0.00 0.00 4.15 -0.04 -2.70 115.11 116.38 1x4e h GLN 27 Ca -0.18 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1x4e h GLN 27 Cb 1.74 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.66 1x4e h GLN 27 CO 0.08 -0.68 0.00 -0.35 -1.93 0.00 0.00 178.83 175.95 1x4e n PRO 28 N -5.51 0.49 0.03 -2.39 -0.04 -1.26 -2.59 135.00 123.73 1x4e n PRO 28 Ca -0.14 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.15 1x4e n PRO 28 Cb 0.43 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1x4e n PRO 28 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1x4e h TYR 29 N 0.00 0.41 0.00 0.54 -1.99 -1.84 -3.50 116.97 110.58 1x4e h TYR 29 Ca 0.00 -0.30 0.00 0.00 2.00 0.00 0.00 58.73 60.43 1x4e h TYR 29 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1x4e h TYR 29 CO 0.00 1.48 0.00 0.41 -0.00 0.00 0.00 178.16 180.05 1x4e n GLY 30 N 1.78 1.29 3.54 3.88 0.00 -1.07 -4.94 105.19 109.67 1x4e n GLY 30 Ca -0.23 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1x4e n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4e s LYS 31 N 2.40 3.56 -0.27 1.61 2.20 -1.26 -4.78 119.74 123.19 1x4e s LYS 31 Ca 0.00 -0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.02 1x4e s LYS 31 Cb 0.00 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 1x4e s LYS 31 CO 0.00 -0.49 0.20 0.42 -0.36 0.00 0.00 175.35 175.12 1x4e s ILE 32 N 1.93 5.31 -0.07 5.43 1.01 -1.26 -1.56 121.20 131.99 1x4e s ILE 32 Ca 0.10 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 1x4e s ILE 32 Cb -0.17 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 1x4e s ILE 32 CO 0.11 0.26 0.41 0.58 0.00 0.00 0.00 174.94 176.30 1x4e h VAL 33 N 5.32 0.12 -2.46 2.92 2.07 -0.88 -3.46 116.25 119.88 1x4e h VAL 33 Ca -0.35 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 1x4e h VAL 33 Cb 1.19 0.21 -0.20 0.00 -1.52 0.00 0.00 31.29 30.97 1x4e h VAL 33 CO 0.57 0.04 -0.02 -0.44 0.02 0.00 0.00 177.57 177.74 1x4e s SER 34 N -5.25 -0.45 0.07 0.57 0.01 -1.14 -5.04 113.70 102.46 1x4e s SER 34 Ca -0.06 0.45 0.07 0.00 1.31 0.00 0.00 55.95 57.73 1x4e s SER 34 Cb 0.00 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1x4e s SER 34 CO 0.18 -0.53 -0.16 0.42 0.41 0.00 0.00 173.24 173.57 1x4e s THR 35 N -1.21 2.99 -0.24 1.44 -4.23 -1.26 -1.58 115.64 111.54 1x4e s THR 35 Ca -0.12 -1.26 -0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1x4e s THR 35 Cb -0.02 -2.33 0.08 0.00 1.34 0.00 0.00 72.50 71.57 1x4e s THR 35 CO 0.07 0.23 0.11 -0.75 -0.54 0.00 0.00 174.62 173.74 1x4e s LYS 36 N -1.79 0.23 -0.14 3.99 2.47 -0.65 -4.96 119.74 118.89 1x4e s LYS 36 Ca 0.17 -0.41 -0.27 0.00 -1.56 0.00 0.00 55.97 53.90 1x4e s LYS 36 Cb -0.11 -1.53 -0.02 0.00 -1.46 0.00 0.00 37.83 34.72 1x4e s LYS 36 CO 0.08 -0.87 0.89 0.00 0.16 0.00 0.00 175.35 175.61 1x4e s ALA 37 N 2.06 3.46 -0.38 3.13 0.00 -1.26 0.16 121.76 128.92 1x4e s ALA 37 Ca 0.06 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 1x4e s ALA 37 Cb -0.16 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1x4e s ALA 37 CO -0.24 -0.59 1.66 0.42 0.00 0.00 0.00 175.76 177.01 1x4e s ILE 38 N 1.98 3.62 0.10 0.00 -1.09 -0.32 -4.94 121.20 120.56 1x4e s ILE 38 Ca 0.42 0.62 0.06 0.00 -2.23 0.00 0.00 60.65 59.52 1x4e s ILE 38 Cb -0.17 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1x4e s ILE 38 CO 0.15 -0.58 -0.04 -0.76 -1.23 0.00 0.00 174.94 172.48 1x4e s LEU 39 N 6.47 3.31 1.04 2.97 1.43 -1.26 -2.23 118.68 130.42 1x4e s LEU 39 Ca 0.72 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 1x4e s LEU 39 Cb -0.19 -2.06 0.20 0.00 0.03 0.00 0.00 46.19 44.17 1x4e s LEU 39 CO 0.32 0.17 1.01 0.47 0.23 0.00 0.00 176.35 178.56 1x4e n ASP 40 N 0.59 -0.77 0.02 2.29 8.00 -1.26 -4.79 116.55 120.63 1x4e n ASP 40 Ca -0.12 0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.42 1x4e n ASP 40 Cb 0.52 -1.35 -0.14 0.00 -0.02 0.00 0.00 41.12 40.13 1x4e n ASP 40 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1x4e h LYS 41 N -2.24 0.08 0.00 -1.24 6.56 -1.99 -2.97 116.57 114.77 1x4e h LYS 41 Ca -0.51 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 58.93 1x4e h LYS 41 Cb 1.30 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1x4e h LYS 41 CO 0.44 0.84 -0.30 2.41 -2.06 0.00 0.00 179.45 180.77 1x4e n THR 42 N -3.26 0.51 0.36 -0.16 -1.04 -1.26 -4.60 114.28 104.82 1x4e n THR 42 Ca -0.13 0.38 0.13 0.00 -2.04 0.00 0.00 64.05 62.39 1x4e n THR 42 Cb 1.02 -1.80 0.31 0.00 -1.82 0.00 0.00 70.33 68.04 1x4e n THR 42 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1x4e h THR 43 N -0.35 0.00 -6.56 12.58 1.35 -1.99 -3.47 112.91 114.48 1x4e h THR 43 Ca 0.00 -0.76 -0.49 0.00 -0.55 0.00 0.00 66.41 64.62 1x4e h THR 43 Cb 0.30 1.74 -0.20 0.00 -1.73 0.00 0.00 68.15 68.27 1x4e h THR 43 CO 0.00 0.00 -0.75 -0.46 -0.25 0.00 0.00 175.52 174.06 1x4e n ASN 44 N -2.80 0.24 -2.49 5.36 0.23 -1.12 -4.80 115.26 109.88 1x4e n ASN 44 Ca 0.04 -1.00 -0.31 0.00 -0.53 0.00 0.00 54.58 52.78 1x4e n ASN 44 Cb 0.46 -1.25 0.03 0.00 -2.08 0.00 0.00 39.78 36.95 1x4e n ASN 44 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1x4e n LYS 45 N -3.69 3.16 -2.66 -3.83 2.85 -1.26 -4.49 118.16 108.24 1x4e n LYS 45 Ca -0.18 -3.98 -0.03 0.00 -1.05 0.00 0.00 58.31 53.08 1x4e n LYS 45 Cb 0.50 -2.27 -0.02 0.00 -0.65 0.00 0.00 35.03 32.59 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4e h LYS 47 N 4.43 1.08 0.00 0.00 1.57 -1.75 -3.37 116.57 118.52 1x4e h LYS 47 Ca -0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1x4e h LYS 47 Cb 0.66 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1x4e h LYS 47 CO 0.00 0.71 0.00 0.41 -0.57 0.00 0.00 179.45 180.01 1x4e n GLY 48 N -1.34 0.00 3.37 3.86 0.00 -1.26 -4.93 105.19 104.89 1x4e n GLY 48 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1x4e n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4e s TYR 49 N 0.00 -0.55 0.13 1.61 2.02 -1.26 0.38 117.35 119.68 1x4e s TYR 49 Ca 0.00 1.30 0.08 0.00 -0.37 0.00 0.00 57.07 58.09 1x4e s TYR 49 Cb 0.00 0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.73 1x4e s TYR 49 CO 0.00 -0.27 -0.20 0.20 -1.57 0.00 0.00 175.55 173.70 1x4e s GLY 50 N 0.46 1.31 0.04 0.71 0.00 0.91 -1.17 107.32 109.58 1x4e s GLY 50 Ca -0.02 -1.34 0.04 0.00 0.00 0.00 0.00 44.72 43.40 1x4e s GLY 50 CO -0.02 -1.36 -0.06 -0.12 0.00 0.00 0.00 173.10 171.54 1x4e s PHE 51 N -1.46 2.88 -0.19 1.90 2.19 0.12 -1.05 117.98 122.36 1x4e s PHE 51 Ca 0.10 -0.06 -0.04 0.00 0.33 0.00 0.00 56.93 57.26 1x4e s PHE 51 Cb -0.09 -1.57 0.09 0.00 -1.31 0.00 0.00 43.02 40.15 1x4e s PHE 51 CO 0.05 0.40 0.23 0.08 1.83 0.00 0.00 175.22 177.81 1x4e s VAL 52 N -1.09 -0.35 -0.22 3.12 1.01 -0.84 -1.63 120.40 120.41 1x4e s VAL 52 Ca 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1x4e s VAL 52 Cb -0.11 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1x4e s VAL 52 CO 0.10 -0.16 0.13 -1.81 0.00 0.00 0.00 175.10 173.36 1x4e s ASP 53 N 2.35 5.96 0.20 3.32 1.01 -0.62 0.23 116.67 129.12 1x4e s ASP 53 Ca 0.07 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.46 1x4e s ASP 53 Cb -0.15 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1x4e s ASP 53 CO -0.12 0.10 0.34 -0.36 0.21 0.00 0.00 175.17 175.34 1x4e s PHE 54 N 0.84 3.47 -2.00 4.23 0.40 -0.90 -0.24 117.98 123.78 1x4e s PHE 54 Ca 0.07 0.11 0.16 0.00 -0.60 0.00 0.00 56.93 56.67 1x4e s PHE 54 Cb -0.13 -1.67 0.93 0.00 0.51 0.00 0.00 43.02 42.66 1x4e s PHE 54 CO 0.02 0.45 1.38 -0.25 0.70 0.00 0.00 175.22 177.52 1x4e n ASP 55 N -0.93 0.00 -3.58 1.36 8.00 -0.60 -4.67 116.55 116.14 1x4e n ASP 55 Ca -0.07 -0.78 -0.15 0.00 0.71 0.00 0.00 54.79 54.49 1x4e n ASP 55 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.59 1x4e n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x4e s SER 56 N -1.85 -0.66 0.30 -2.24 0.01 -1.26 -5.05 113.70 102.96 1x4e s SER 56 Ca 0.23 1.00 0.09 0.00 1.31 0.00 0.00 55.95 58.58 1x4e s SER 56 Cb 0.11 0.92 0.48 0.00 0.21 0.00 0.00 66.02 67.74 1x4e s SER 56 CO 0.18 -0.41 1.70 1.55 0.41 0.00 0.00 173.24 176.67 1x4e h PRO 57 N 3.86 0.11 0.00 12.44 0.13 -1.84 -2.65 132.00 144.05 1x4e h PRO 57 Ca -0.27 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1x4e h PRO 57 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1x4e h PRO 57 CO 0.23 0.57 0.00 0.45 -0.23 0.00 0.00 178.00 179.01 1x4e n SER 58 N -3.97 0.58 -0.01 1.44 2.88 -1.26 -2.93 113.62 110.34 1x4e n SER 58 Ca -0.02 0.61 -0.22 0.00 -1.33 0.00 0.00 58.87 57.92 1x4e n SER 58 Cb 0.51 -0.75 -0.14 0.00 -0.75 0.00 0.00 64.21 63.09 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4e h ALA 59 N 2.40 0.37 0.16 -1.46 0.00 -1.84 -3.37 119.26 115.52 1x4e h ALA 59 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 54.91 53.58 1x4e h ALA 59 Cb 0.45 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x4e h ALA 59 CO 0.00 1.15 -0.09 0.00 0.00 0.00 0.00 179.25 180.30 1x4e h ALA 60 N -0.05 -0.24 -1.21 0.00 0.00 -1.47 -2.37 119.26 113.93 1x4e h ALA 60 Ca -0.40 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 54.84 1x4e h ALA 60 Cb 1.88 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.66 1x4e h ALA 60 CO 0.03 -0.64 0.78 1.96 0.00 0.00 0.00 179.25 181.39 1x4e h GLN 61 N -0.24 0.19 -0.79 0.00 4.20 -1.73 0.51 115.11 117.24 1x4e h GLN 61 Ca -0.02 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.80 1x4e h GLN 61 Cb 0.20 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 1x4e h GLN 61 CO 0.02 0.12 0.41 -0.22 -0.67 0.00 0.00 178.83 178.50 1x4e h LYS 62 N 0.19 0.63 0.49 1.46 3.64 -1.59 -0.26 116.57 121.14 1x4e h LYS 62 Ca 0.73 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 60.05 1x4e h LYS 62 Cb 2.18 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1x4e h LYS 62 CO -0.37 0.42 -0.23 0.00 -2.27 0.00 0.00 179.45 176.99 1x4e h ALA 63 N 1.49 -0.81 -0.79 5.00 0.00 -0.07 -2.81 119.26 121.28 1x4e h ALA 63 Ca 0.41 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.33 1x4e h ALA 63 Cb 0.49 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 1x4e h ALA 63 CO -0.31 -0.76 -0.19 0.28 0.00 0.00 0.00 179.25 178.27 1x4e h VAL 64 N -0.94 0.21 -0.15 0.00 2.07 -1.36 0.80 116.25 116.87 1x4e h VAL 64 Ca -0.07 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1x4e h VAL 64 Cb 0.50 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1x4e h VAL 64 CO 0.11 0.00 -0.28 0.74 0.02 0.00 0.00 177.57 178.16 1x4e h THR 65 N 0.00 0.35 0.23 2.57 2.02 -1.10 -0.77 112.91 116.22 1x4e h THR 65 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.55 1x4e h THR 65 Cb 0.58 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1x4e h THR 65 CO -0.81 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 174.97 1x4e h ALA 66 N 0.58 -0.55 -0.72 6.16 0.00 -0.76 -3.20 119.26 120.77 1x4e h ALA 66 Ca 0.11 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.16 1x4e h ALA 66 Cb 0.50 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.28 1x4e h ALA 66 CO -0.34 -0.52 0.07 1.28 0.00 0.00 0.00 179.25 179.73 1x4e n LEU 67 N -3.58 -0.04 -0.09 0.00 4.77 0.26 0.20 117.00 118.52 1x4e n LEU 67 Ca -0.04 1.22 -0.06 0.00 -0.03 0.00 0.00 56.01 57.10 1x4e n LEU 67 Cb 0.12 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1x4e n LEU 67 CO 0.09 -1.25 0.87 0.11 -1.33 0.00 0.00 177.39 175.89 1x4e h LYS 68 N 0.00 0.13 0.00 3.23 1.57 -1.20 -0.09 116.57 120.21 1x4e h LYS 68 Ca 0.46 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1x4e h LYS 68 Cb 1.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1x4e h LYS 68 CO -0.66 0.08 -0.01 0.00 -0.57 0.00 0.00 179.45 178.30 1x4e h ALA 69 N 1.26 1.00 0.00 3.86 0.00 0.23 -2.51 119.26 123.10 1x4e h ALA 69 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1x4e h ALA 69 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1x4e h ALA 69 CO -0.23 0.01 -0.60 1.03 0.00 0.00 0.00 179.25 179.46 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.50 -3.47 113.55 111.45 1x4e h SER 70 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x4e h SER 70 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1x4e h SER 70 CO 0.00 0.60 0.00 0.61 -0.53 0.00 0.00 176.83 177.51 1x4e n GLY 71 N 0.48 1.50 3.40 5.77 0.00 -0.91 -5.09 105.19 110.35 1x4e n GLY 71 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x4e n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4e s VAL 72 N -2.00 2.51 -0.67 1.61 0.11 -1.06 -5.06 120.40 115.84 1x4e s VAL 72 Ca 0.00 -1.21 -0.27 0.00 -2.93 0.00 0.00 61.98 57.57 1x4e s VAL 72 Cb 0.00 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1x4e s VAL 72 CO 0.00 0.39 1.60 -1.10 -3.33 0.00 0.00 175.10 172.67 1x4e s GLN 73 N -1.23 2.87 -0.13 1.54 -0.21 -1.26 -4.03 119.66 117.21 1x4e s GLN 73 Ca 0.13 0.23 -0.00 0.00 0.02 0.00 0.00 55.36 55.74 1x4e s GLN 73 Cb -0.10 -4.30 0.03 0.00 1.00 0.00 0.00 33.01 29.63 1x4e s GLN 73 CO 0.03 -2.48 -0.09 0.00 -2.12 0.00 0.00 175.29 170.64 1x4e s ALA 74 N 7.61 1.48 0.24 6.09 0.00 -1.26 -0.76 121.76 135.16 1x4e s ALA 74 Ca 0.53 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.88 1x4e s ALA 74 Cb -0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1x4e s ALA 74 CO 0.18 -0.47 -0.08 1.14 0.00 0.00 0.00 175.76 176.52 1x4e s GLN 75 N 1.65 1.44 -0.46 0.00 -2.07 -0.93 -4.80 119.66 114.48 1x4e s GLN 75 Ca 0.04 -1.69 -0.06 0.00 -1.82 0.00 0.00 55.36 51.83 1x4e s GLN 75 Cb -0.13 -1.07 -0.16 0.00 -1.09 0.00 0.00 33.01 30.55 1x4e s GLN 75 CO -0.09 0.08 2.82 -1.33 -1.32 0.00 0.00 175.29 175.45 1x4e n MET 76 N -0.48 2.06 -4.45 9.60 2.81 -1.26 -0.60 117.12 124.80 1x4e n MET 76 Ca -0.06 -1.17 -0.41 0.00 -1.81 0.00 0.00 57.70 54.24 1x4e n MET 76 Cb 0.62 -2.16 -0.08 0.00 -0.71 0.00 0.00 33.22 30.89 1x4e n MET 76 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x4e n ALA 77 N 3.06 -1.18 -0.93 3.04 0.00 -1.06 -4.33 120.51 119.11 1x4e n ALA 77 Ca 0.44 -0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1x4e n ALA 77 Cb 0.53 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 1x4e n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x4e n LYS 78 N -3.95 -2.28 0.00 0.00 4.01 -1.26 -5.00 118.16 109.68 1x4e n LYS 78 Ca 0.11 1.83 0.00 0.00 -0.51 0.00 0.00 58.31 59.74 1x4e n LYS 78 Cb 0.44 -2.47 0.00 0.00 -0.51 0.00 0.00 35.03 32.49 1x4e n LYS 78 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1x4e n GLN 79 N -2.96 0.00 0.00 1.97 6.02 -1.26 -5.04 117.38 116.10 1x4e n GLN 79 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1x4e n GLN 79 Cb 0.38 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.58 1x4e n GLN 79 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1x4e n SER 80 N -2.38 0.00 0.00 1.08 2.88 -1.26 -4.36 113.62 109.58 1x4e n SER 80 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x4e n SER 80 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x4e n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4e n GLY 81 N 0.00 0.64 3.77 0.46 0.00 -1.26 -5.12 105.19 103.68 1x4e n GLY 81 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1x4e n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4e s PRO 82 N 0.00 4.22 0.00 1.61 0.04 -1.26 -4.81 135.00 134.80 1x4e s PRO 82 Ca 0.00 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1x4e s PRO 82 Cb 0.00 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1x4e s PRO 82 CO 0.00 -0.21 0.00 0.45 0.04 0.00 0.00 177.00 177.28 1x4e n SER 83 N 0.46 0.00 -1.58 6.66 2.88 -1.26 -4.97 113.62 115.81 1x4e n SER 83 Ca 0.02 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.60 1x4e n SER 83 Cb 0.45 0.06 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 1x4e n SER 83 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4e n SER 84 N -1.34 0.98 0.00 -3.46 7.64 -1.26 -5.38 113.62 110.80 1x4e n SER 84 Ca 0.00 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1x4e n SER 84 Cb 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64