#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j25 s VAL 5 N 0.00 4.94 -0.09 1.61 0.11 -1.26 -4.94 120.40 120.77 1j25 s VAL 5 Ca 0.00 0.43 0.03 0.00 -2.93 0.00 0.00 61.98 59.51 1j25 s VAL 5 Cb 0.00 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1j25 s VAL 5 CO 0.00 -0.12 -0.19 -0.54 -3.33 0.00 0.00 175.10 170.92 1j25 s LYS 6 N -2.95 2.93 -0.02 1.54 1.02 -1.26 -1.10 119.74 119.89 1j25 s LYS 6 Ca 0.47 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1j25 s LYS 6 Cb -0.11 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1j25 s LYS 6 CO 0.23 0.33 -0.05 0.08 -0.92 0.00 0.00 175.35 175.01 1j25 s VAL 7 N 0.02 0.48 -0.11 3.17 1.01 -0.75 -4.87 120.40 119.36 1j25 s VAL 7 Ca -0.07 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 1j25 s VAL 7 Cb -0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1j25 s VAL 7 CO 0.05 0.17 0.50 -0.69 0.00 0.00 0.00 175.10 175.13 1j25 s VAL 8 N 0.32 5.16 -0.04 2.92 1.01 -0.69 -1.94 120.40 127.14 1j25 s VAL 8 Ca -0.04 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.01 1j25 s VAL 8 Cb -0.08 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1j25 s VAL 8 CO -0.00 0.33 -0.25 0.54 0.00 0.00 0.00 175.10 175.72 1j25 s VAL 9 N 0.55 2.11 0.34 2.92 0.11 -0.20 -0.08 120.40 126.14 1j25 s VAL 9 Ca 0.27 -1.07 -0.28 0.00 -2.93 0.00 0.00 61.98 57.98 1j25 s VAL 9 Cb -0.15 -1.75 -0.09 0.00 -1.53 0.00 0.00 36.38 32.85 1j25 s VAL 9 CO 0.11 0.58 1.21 -0.62 -3.33 0.00 0.00 175.10 173.05 1j25 s ASP 10 N -0.38 6.82 0.35 3.54 -1.08 -0.23 -1.61 116.67 124.08 1j25 s ASP 10 Ca 0.03 2.47 0.13 0.00 -0.52 0.00 0.00 52.55 54.67 1j25 s ASP 10 Cb -0.12 -2.63 0.99 0.00 -1.46 0.00 0.00 42.92 39.69 1j25 s ASP 10 CO 0.01 -0.48 1.74 0.77 0.52 0.00 0.00 175.17 177.74 1j25 h SER 11 N 3.26 0.58 0.24 -0.34 4.64 -0.62 -0.40 113.55 120.90 1j25 h SER 11 Ca -0.48 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1j25 h SER 11 Cb 1.23 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1j25 h SER 11 CO 0.65 0.08 0.00 0.03 -0.87 0.00 0.00 176.83 176.72 1j25 h ARG 12 N 0.49 0.00 0.00 4.77 -0.00 -1.91 -2.15 114.38 115.58 1j25 h ARG 12 Ca 0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.11 1j25 h ARG 12 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.35 1j25 h ARG 12 CO -0.41 0.00 -1.15 0.39 0.00 0.00 0.00 179.97 178.80 1j25 n GLU 13 N -2.49 0.23 -0.32 0.04 -0.58 -0.16 -4.68 120.64 112.68 1j25 n GLU 13 Ca -0.01 -0.04 0.07 0.00 -0.42 0.00 0.00 57.16 56.77 1j25 n GLU 13 Cb 0.10 -1.54 0.15 0.00 -0.57 0.00 0.00 31.44 29.59 1j25 n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1j25 n LEU 14 N -1.82 -0.28 -2.00 -4.62 7.94 -0.81 -1.01 117.00 114.40 1j25 n LEU 14 Ca 0.02 1.54 -0.08 0.00 -1.11 0.00 0.00 56.01 56.37 1j25 n LEU 14 Cb 0.41 -0.48 0.28 0.00 0.53 0.00 0.00 43.42 44.16 1j25 n LEU 14 CO 0.42 -1.49 1.05 0.54 -1.11 0.00 0.00 177.39 176.80 1j25 n ARG 15 N -5.43 3.46 -2.27 1.96 1.74 -1.26 -4.78 116.66 110.08 1j25 n ARG 15 Ca 0.16 -2.93 -0.28 0.00 -0.77 0.00 0.00 57.85 54.03 1j25 n ARG 15 Cb 0.49 -2.18 0.03 0.00 -1.02 0.00 0.00 32.46 29.79 1j25 n ARG 15 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1j25 s SER 16 N -0.96 5.57 0.50 0.55 1.04 -0.18 -4.95 113.70 115.26 1j25 s SER 16 Ca 0.53 0.82 0.31 0.00 0.48 0.00 0.00 55.95 58.09 1j25 s SER 16 Cb 0.43 -1.77 1.15 0.00 0.10 0.00 0.00 66.02 65.93 1j25 s SER 16 CO 0.13 -1.13 1.89 -0.33 0.98 0.00 0.00 173.24 174.79 1j25 h GLU 17 N -0.29 0.00 -0.09 4.02 4.39 -1.93 -2.68 114.58 118.00 1j25 h GLU 17 Ca -0.45 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1j25 h GLU 17 Cb 1.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1j25 h GLU 17 CO 0.61 0.00 0.00 0.28 -1.16 0.00 0.00 179.01 178.74 1j25 h VAL 18 N 0.00 1.25 -0.66 3.13 2.07 -1.91 -2.11 116.25 118.02 1j25 h VAL 18 Ca 0.00 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1j25 h VAL 18 Cb 0.59 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1j25 h VAL 18 CO 0.00 0.22 0.26 0.58 0.02 0.00 0.00 177.57 178.65 1j25 h VAL 19 N -0.12 1.23 -0.35 2.57 2.07 -1.74 -0.51 116.25 119.39 1j25 h VAL 19 Ca 0.03 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1j25 h VAL 19 Cb 0.35 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1j25 h VAL 19 CO 0.00 0.29 0.22 0.50 0.02 0.00 0.00 177.57 178.61 1j25 h LYS 20 N 0.95 0.44 -0.44 1.57 3.64 -1.34 -0.83 116.57 120.56 1j25 h LYS 20 Ca 0.22 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1j25 h LYS 20 Cb 0.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1j25 h LYS 20 CO -0.02 0.29 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.16 1j25 h ARG 21 N 0.45 0.88 -0.93 1.90 9.65 -0.98 -1.44 114.38 123.90 1j25 h ARG 21 Ca 0.13 -0.36 0.02 0.00 -1.10 0.00 0.00 59.98 58.68 1j25 h ARG 21 Cb -0.03 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 1j25 h ARG 21 CO -0.04 1.00 0.62 -0.07 2.80 0.00 0.00 179.97 184.27 1j25 h LEU 22 N 0.76 1.04 -0.50 3.80 3.38 -0.74 0.27 115.31 123.33 1j25 h LEU 22 Ca 0.11 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1j25 h LEU 22 Cb 0.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1j25 h LEU 22 CO 0.06 0.74 -0.26 0.11 0.09 0.00 0.00 178.44 179.17 1j25 h LYS 23 N 1.22 0.95 -0.27 1.13 1.57 -0.81 -1.06 116.57 119.31 1j25 h LYS 23 Ca 0.36 -0.43 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1j25 h LYS 23 Cb -0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1j25 h LYS 23 CO -0.09 1.09 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.77 1j25 h LEU 24 N 0.81 0.39 0.00 2.94 3.38 -0.54 -1.41 115.31 120.88 1j25 h LEU 24 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1j25 h LEU 24 Cb 0.84 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1j25 h LEU 24 CO 0.07 0.49 0.00 0.18 0.09 0.00 0.00 178.44 179.27 1j25 n LEU 25 N -4.29 0.00 0.00 1.67 4.77 0.02 -4.89 117.00 114.28 1j25 n LEU 25 Ca 0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1j25 n LEU 25 Cb 0.24 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1j25 n LEU 25 CO 0.38 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1j25 n GLY 26 N 0.70 0.71 3.76 -0.72 0.00 -0.53 -5.03 105.19 104.07 1j25 n GLY 26 Ca 0.13 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1j25 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j25 s VAL 27 N -2.00 3.34 -0.34 1.61 1.01 -0.43 -4.52 120.40 119.07 1j25 s VAL 27 Ca 0.00 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.15 1j25 s VAL 27 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1j25 s VAL 27 CO 0.00 0.31 0.39 -0.54 0.00 0.00 0.00 175.10 175.26 1j25 s LYS 28 N -1.42 3.58 -0.14 2.72 -0.14 -0.26 -4.55 119.74 119.54 1j25 s LYS 28 Ca 0.46 -0.37 -0.07 0.00 -1.36 0.00 0.00 55.97 54.63 1j25 s LYS 28 Cb -0.34 -3.80 -0.04 0.00 -1.68 0.00 0.00 37.83 31.97 1j25 s LYS 28 CO 0.43 -0.54 0.12 -0.51 -0.76 0.00 0.00 175.35 174.09 1j25 s LEU 29 N 2.08 4.24 -0.19 3.17 1.43 -1.26 -1.80 118.68 126.35 1j25 s LEU 29 Ca 0.13 0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1j25 s LEU 29 Cb -0.16 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1j25 s LEU 29 CO 0.12 0.35 -0.14 -0.70 0.23 0.00 0.00 176.35 176.20 1j25 s GLU 30 N -0.65 3.15 0.03 1.70 2.12 -0.82 -4.99 118.70 119.25 1j25 s GLU 30 Ca 0.13 -0.75 -0.22 0.00 0.36 0.00 0.00 54.97 54.49 1j25 s GLU 30 Cb -0.12 -2.72 -0.06 0.00 0.26 0.00 0.00 34.13 31.49 1j25 s GLU 30 CO 0.02 -0.17 0.64 0.08 -0.54 0.00 0.00 175.26 175.29 1j25 s VAL 31 N 1.27 4.80 0.12 3.70 1.01 -1.26 -1.03 120.40 129.02 1j25 s VAL 31 Ca 0.04 1.35 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 1j25 s VAL 31 Cb -0.14 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1j25 s VAL 31 CO -0.08 0.44 0.19 -0.54 0.00 0.00 0.00 175.10 175.12 1j25 s LYS 32 N -0.40 0.96 -0.46 2.72 1.02 -0.63 -4.94 119.74 118.01 1j25 s LYS 32 Ca 0.33 -1.12 -0.10 0.00 0.02 0.00 0.00 55.97 55.09 1j25 s LYS 32 Cb -0.19 0.33 0.10 0.00 -0.52 0.00 0.00 37.83 37.55 1j25 s LYS 32 CO 0.19 -0.32 0.33 0.99 -0.92 0.00 0.00 175.35 175.62 1j25 s THR 33 N -3.93 4.34 -0.00 2.17 2.01 -1.26 0.19 115.64 119.15 1j25 s THR 33 Ca 0.12 -1.58 -0.17 0.00 0.31 0.00 0.00 61.69 60.37 1j25 s THR 33 Cb 0.05 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 1j25 s THR 33 CO -0.05 -0.67 0.48 -0.76 -0.69 0.00 0.00 174.62 172.93 1j25 s LEU 34 N 1.42 4.45 0.31 4.42 1.43 -1.26 -4.98 118.68 124.47 1j25 s LEU 34 Ca 0.04 1.04 0.15 0.00 -1.03 0.00 0.00 54.13 54.33 1j25 s LEU 34 Cb -0.25 -2.72 0.43 0.00 0.03 0.00 0.00 46.19 43.69 1j25 s LEU 34 CO 0.01 0.24 1.63 0.44 0.23 0.00 0.00 176.35 178.89 1j25 h ASP 35 N 5.09 0.00 -3.77 2.29 3.32 -2.05 -3.44 116.42 117.85 1j25 h ASP 35 Ca -0.49 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.38 1j25 h ASP 35 Cb 1.21 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.50 1j25 h ASP 35 CO 0.65 0.52 -0.48 0.54 -1.72 0.00 0.00 179.24 178.75 1j25 s VAL 36 N -3.47 -0.00 0.00 -1.35 0.11 -1.26 -5.13 120.40 109.30 1j25 s VAL 36 Ca 0.00 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1j25 s VAL 36 Cb 0.11 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1j25 s VAL 36 CO 0.73 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 173.11 1j25 n GLY 37 N 3.07 0.00 0.04 6.54 0.00 -1.26 -4.97 105.19 108.61 1j25 n GLY 37 Ca -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 1j25 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j25 n ASP 38 N -0.86 3.37 -3.74 1.61 8.00 -0.11 -4.75 116.55 120.08 1j25 n ASP 38 Ca 0.00 -0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 1j25 n ASP 38 Cb 0.00 0.30 -0.18 0.00 -0.02 0.00 0.00 41.12 41.22 1j25 n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1j25 s TYR 39 N -2.16 0.53 -0.24 1.24 2.02 -0.65 -1.07 117.35 117.02 1j25 s TYR 39 Ca -0.07 -0.12 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 1j25 s TYR 39 Cb 0.02 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 1j25 s TYR 39 CO 0.23 -0.32 0.12 0.42 -1.57 0.00 0.00 175.55 174.42 1j25 s ILE 40 N 2.02 4.89 -0.19 2.71 -1.09 0.88 -0.03 121.20 130.40 1j25 s ILE 40 Ca 0.04 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1j25 s ILE 40 Cb -0.13 -3.28 -0.22 0.00 -1.58 0.00 0.00 42.46 37.26 1j25 s ILE 40 CO -0.05 0.35 0.08 -0.38 -1.23 0.00 0.00 174.94 173.72 1j25 n ILE 41 N 4.45 1.61 -3.79 2.92 2.08 -0.11 -1.71 119.36 124.81 1j25 n ILE 41 Ca -0.16 -0.64 -0.09 0.00 0.56 0.00 0.00 62.75 62.42 1j25 n ILE 41 Cb 0.52 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 1j25 n ILE 41 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1j25 n SER 42 N -3.30 -1.60 0.30 4.38 3.41 -0.85 -4.93 113.62 111.03 1j25 n SER 42 Ca -0.38 -2.44 0.17 0.00 -0.26 0.00 0.00 58.87 55.97 1j25 n SER 42 Cb 1.03 2.75 0.93 0.00 -0.26 0.00 0.00 64.21 68.66 1j25 n SER 42 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j25 h GLU 43 N 0.00 0.00 0.00 4.33 3.07 -2.02 -3.15 114.58 116.82 1j25 h GLU 43 Ca -0.26 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.37 1j25 h GLU 43 Cb 1.02 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.88 1j25 h GLU 43 CO 0.34 0.04 -1.86 -0.25 -1.40 0.00 0.00 179.01 175.87 1j25 n ASP 44 N -3.39 2.17 -4.61 1.42 8.00 -1.26 -4.70 116.55 114.17 1j25 n ASP 44 Ca -0.02 -0.02 -0.38 0.00 0.71 0.00 0.00 54.79 55.08 1j25 n ASP 44 Cb 0.16 0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 41.68 1j25 n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j25 s VAL 45 N -2.30 5.32 0.02 2.53 1.01 -1.19 -1.03 120.40 124.76 1j25 s VAL 45 Ca -0.10 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1j25 s VAL 45 Cb 0.04 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1j25 s VAL 45 CO 0.47 0.28 -0.10 0.00 0.00 0.00 0.00 175.10 175.75 1j25 s ALA 46 N 1.55 0.77 -0.09 5.51 0.00 -1.22 -0.93 121.76 127.35 1j25 s ALA 46 Ca 0.07 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1j25 s ALA 46 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1j25 s ALA 46 CO 0.09 0.13 -0.19 0.42 0.00 0.00 0.00 175.76 176.21 1j25 s ILE 47 N -0.67 2.58 -0.23 0.00 1.01 0.96 -0.71 121.20 124.14 1j25 s ILE 47 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1j25 s ILE 47 Cb -0.06 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1j25 s ILE 47 CO 0.00 0.55 -0.01 -0.70 0.00 0.00 0.00 174.94 174.79 1j25 s GLU 48 N 0.04 3.46 -0.17 2.79 2.56 0.23 -0.93 118.70 126.68 1j25 s GLU 48 Ca -0.07 -0.58 -0.17 0.00 0.00 0.00 0.00 54.97 54.15 1j25 s GLU 48 Cb -0.15 -3.11 -0.04 0.00 2.00 0.00 0.00 34.13 32.84 1j25 s GLU 48 CO 0.05 -0.19 0.44 0.50 -0.56 0.00 0.00 175.26 175.49 1j25 s ARG 49 N 1.51 4.24 -0.04 4.30 3.52 -1.26 -0.87 118.95 130.36 1j25 s ARG 49 Ca 0.06 0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.96 1j25 s ARG 49 Cb -0.14 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1j25 s ARG 49 CO -0.01 0.03 0.06 0.21 -0.81 0.00 0.00 175.30 174.78 1j25 s LYS 50 N 1.07 -0.04 0.68 5.12 2.20 -0.45 -4.97 119.74 123.35 1j25 s LYS 50 Ca 0.22 0.30 -0.14 0.00 -0.36 0.00 0.00 55.97 55.99 1j25 s LYS 50 Cb -0.15 -0.35 0.01 0.00 -1.51 0.00 0.00 37.83 35.83 1j25 s LYS 50 CO 0.09 -0.24 1.11 -1.54 -0.36 0.00 0.00 175.35 174.41 1j25 s SER 51 N 1.60 4.94 0.25 1.43 1.04 -1.26 -0.86 113.70 120.84 1j25 s SER 51 Ca -0.03 2.00 -0.04 0.00 0.48 0.00 0.00 55.95 58.36 1j25 s SER 51 Cb -0.12 -2.55 0.36 0.00 0.10 0.00 0.00 66.02 63.81 1j25 s SER 51 CO -0.03 -1.74 1.87 0.00 0.98 0.00 0.00 173.24 174.31 1j25 h ALA 52 N -0.18 1.27 -0.76 5.32 0.00 -1.09 -0.58 119.26 123.24 1j25 h ALA 52 Ca -0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1j25 h ALA 52 Cb 1.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1j25 h ALA 52 CO 0.53 0.35 0.34 -0.97 0.00 0.00 0.00 179.25 179.51 1j25 h ASN 53 N 1.06 1.01 0.26 0.00 -0.73 -1.89 -1.20 115.58 114.09 1j25 h ASN 53 Ca 0.40 -0.15 -0.13 0.00 1.87 0.00 0.00 56.30 58.29 1j25 h ASN 53 Cb 0.16 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1j25 h ASN 53 CO -0.17 0.88 -0.50 0.44 -0.37 0.00 0.00 177.43 177.70 1j25 h ASP 54 N 1.07 0.30 -0.04 1.15 3.32 -1.74 -1.07 116.42 119.41 1j25 h ASP 54 Ca 0.26 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1j25 h ASP 54 Cb 0.15 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1j25 h ASP 54 CO -0.03 0.76 0.02 0.25 -1.72 0.00 0.00 179.24 178.52 1j25 h LEU 55 N 0.22 0.06 -0.83 1.55 5.85 -0.70 -0.18 115.31 121.28 1j25 h LEU 55 Ca 0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1j25 h LEU 55 Cb 0.97 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1j25 h LEU 55 CO 0.08 0.19 0.53 0.40 -0.34 0.00 0.00 178.44 179.30 1j25 h ILE 56 N -0.08 1.22 -0.76 4.05 2.04 -1.12 -1.88 117.51 120.99 1j25 h ILE 56 Ca 0.01 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1j25 h ILE 56 Cb 0.15 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1j25 h ILE 56 CO -0.00 0.22 0.26 -0.61 0.00 0.00 0.00 178.15 178.03 1j25 h GLN 57 N 1.14 1.17 0.00 2.37 5.75 -0.96 -1.01 115.11 123.57 1j25 h GLN 57 Ca 0.30 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1j25 h GLN 57 Cb -0.09 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.28 1j25 h GLN 57 CO -0.06 0.97 -0.11 0.66 -2.65 0.00 0.00 178.83 177.64 1j25 h SER 58 N 1.12 0.00 0.10 -0.69 4.64 -0.45 -0.04 113.55 118.23 1j25 h SER 58 Ca 0.25 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.36 1j25 h SER 58 Cb 0.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1j25 h SER 58 CO -0.01 0.11 -0.88 0.40 -0.87 0.00 0.00 176.83 175.58 1j25 h ILE 59 N 0.00 1.42 -0.59 0.95 2.04 -0.59 0.14 117.51 120.89 1j25 h ILE 59 Ca -0.00 -2.38 0.01 0.00 1.00 0.00 0.00 64.86 63.49 1j25 h ILE 59 Cb 0.44 2.89 -0.03 0.00 -0.74 0.00 0.00 36.82 39.38 1j25 h ILE 59 CO 0.01 0.69 0.38 0.40 0.00 0.00 0.00 178.15 179.63 1j25 h ILE 60 N -0.12 1.12 -0.01 -0.67 2.04 -0.58 -2.43 117.51 116.86 1j25 h ILE 60 Ca -0.14 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1j25 h ILE 60 Cb 1.63 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1j25 h ILE 60 CO 0.17 0.14 -0.06 0.47 0.00 0.00 0.00 178.15 178.87 1j25 n ASP 61 N -4.71 0.86 -2.28 1.72 10.43 -0.09 -4.94 116.55 117.54 1j25 n ASP 61 Ca 0.04 -1.09 -0.18 0.00 2.57 0.00 0.00 54.79 56.14 1j25 n ASP 61 Cb 0.04 -0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.02 1j25 n ASP 61 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j25 n GLY 62 N 1.18 -0.33 0.38 0.44 0.00 -0.58 -4.91 105.19 101.38 1j25 n GLY 62 Ca 0.18 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1j25 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j25 n GLY 63 N -1.22 -0.03 0.16 -0.02 0.00 0.40 -4.65 105.19 99.82 1j25 n GLY 63 Ca -0.15 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1j25 n GLY 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j25 h LEU 64 N 1.89 0.31 -1.00 0.99 5.85 -1.86 -2.58 115.31 118.91 1j25 h LEU 64 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1j25 h LEU 64 Cb 0.54 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1j25 h LEU 64 CO 0.00 0.22 0.11 -0.26 -0.34 0.00 0.00 178.44 178.17 1j25 h PHE 65 N 0.40 0.86 -0.56 1.25 0.04 -1.89 -1.38 116.94 115.66 1j25 h PHE 65 Ca 0.14 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1j25 h PHE 65 Cb 0.03 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 1j25 h PHE 65 CO -0.08 0.73 0.13 -0.44 -0.60 0.00 0.00 178.31 178.05 1j25 h ASP 66 N 0.80 0.81 -0.54 2.17 3.32 -1.83 -0.27 116.42 120.88 1j25 h ASP 66 Ca 0.17 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1j25 h ASP 66 Cb 0.32 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1j25 h ASP 66 CO 0.00 0.79 0.05 1.56 -1.72 0.00 0.00 179.24 179.92 1j25 h GLN 67 N 0.83 0.93 -0.31 3.56 4.20 -0.94 -1.68 115.11 121.69 1j25 h GLN 67 Ca 0.18 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 1j25 h GLN 67 Cb 0.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1j25 h GLN 67 CO -0.00 0.92 -0.38 0.28 -0.67 0.00 0.00 178.83 178.97 1j25 h VAL 68 N 0.81 1.29 -0.36 -0.54 2.07 -1.00 -2.18 116.25 116.34 1j25 h VAL 68 Ca 0.16 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 66.15 1j25 h VAL 68 Cb 0.47 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1j25 h VAL 68 CO 0.02 0.50 0.20 0.50 0.02 0.00 0.00 177.57 178.81 1j25 h LYS 69 N 0.61 0.40 -0.76 1.57 3.64 -0.85 -0.87 116.57 120.30 1j25 h LYS 69 Ca 0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1j25 h LYS 69 Cb 0.93 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1j25 h LYS 69 CO 0.08 0.26 0.34 -0.09 -2.27 0.00 0.00 179.45 177.77 1j25 h ARG 70 N 0.41 1.10 -0.20 1.90 2.43 -1.18 -1.37 114.38 117.47 1j25 h ARG 70 Ca 0.15 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1j25 h ARG 70 Cb 0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1j25 h ARG 70 CO -0.08 0.87 0.04 -0.07 -1.51 0.00 0.00 179.97 179.22 1j25 h LEU 71 N 1.09 0.32 -1.50 3.80 3.38 -0.89 -2.82 115.31 118.69 1j25 h LEU 71 Ca 0.26 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1j25 h LEU 71 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1j25 h LEU 71 CO -0.03 0.49 -0.20 0.11 0.09 0.00 0.00 178.44 178.90 1j25 h LYS 72 N 0.14 0.07 0.00 1.13 1.57 -0.90 -1.07 116.57 117.51 1j25 h LYS 72 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1j25 h LYS 72 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1j25 h LYS 72 CO 0.00 0.27 0.00 0.93 -0.57 0.00 0.00 179.45 180.09 1j25 h GLU 73 N 0.07 0.00 0.01 3.15 5.08 -1.13 -3.28 114.58 118.47 1j25 h GLU 73 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.01 1j25 h GLU 73 Cb 0.39 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1j25 h GLU 73 CO 0.03 0.00 -2.27 0.00 -1.00 0.00 0.00 179.01 175.77 1j25 n ALA 74 N -1.94 1.44 -2.78 3.43 0.00 -0.91 -4.97 120.51 114.78 1j25 n ALA 74 Ca 0.04 -1.13 -0.18 0.00 0.00 0.00 0.00 53.44 52.17 1j25 n ALA 74 Cb 0.42 -0.31 -0.15 0.00 0.00 0.00 0.00 19.45 19.42 1j25 n ALA 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j25 s TYR 75 N -2.52 0.68 0.18 0.00 2.02 -0.45 -5.03 117.35 112.24 1j25 s TYR 75 Ca -0.16 -0.13 0.15 0.00 -0.37 0.00 0.00 57.07 56.55 1j25 s TYR 75 Cb 0.07 -0.45 0.47 0.00 -0.40 0.00 0.00 41.96 41.65 1j25 s TYR 75 CO 0.77 -0.03 1.65 0.66 -1.57 0.00 0.00 175.55 177.03 1j25 h SER 76 N 6.05 0.00 -2.12 2.29 4.64 -1.77 -3.37 113.55 119.28 1j25 h SER 76 Ca -0.30 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.45 1j25 h SER 76 Cb 1.18 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.86 1j25 h SER 76 CO 0.50 0.50 -0.83 0.54 -0.87 0.00 0.00 176.83 176.67 1j25 n ARG 77 N -3.60 1.87 -1.86 4.77 1.74 -0.20 -5.06 116.66 114.33 1j25 n ARG 77 Ca -0.00 -4.09 -0.31 0.00 -0.77 0.00 0.00 57.85 52.67 1j25 n ARG 77 Cb 0.59 -1.85 0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1j25 n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j25 s PRO 78 N -2.19 3.37 -0.03 5.56 0.04 -1.26 -3.42 135.00 137.08 1j25 s PRO 78 Ca 0.40 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1j25 s PRO 78 Cb 0.20 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1j25 s PRO 78 CO -0.07 -0.75 0.08 0.42 0.04 0.00 0.00 177.00 176.71 1j25 s ILE 79 N -2.95 0.01 -0.14 0.56 1.01 0.12 -4.24 121.20 115.57 1j25 s ILE 79 Ca 0.58 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1j25 s ILE 79 Cb -0.13 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 1j25 s ILE 79 CO 0.49 -0.02 -0.16 -0.32 0.00 0.00 0.00 174.94 174.93 1j25 s MET 80 N -0.04 3.25 -0.29 2.79 1.75 -0.29 -0.60 119.30 125.87 1j25 s MET 80 Ca -0.01 -0.74 -0.06 0.00 -1.25 0.00 0.00 55.69 53.63 1j25 s MET 80 Cb -0.01 -2.58 0.01 0.00 2.84 0.00 0.00 34.83 35.09 1j25 s MET 80 CO 0.00 0.11 0.05 0.42 -0.65 0.00 0.00 175.02 174.96 1j25 s ILE 81 N 0.57 3.74 -0.29 10.11 1.01 -0.05 -0.83 121.20 135.45 1j25 s ILE 81 Ca -0.09 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1j25 s ILE 81 Cb -0.16 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1j25 s ILE 81 CO 0.04 0.09 0.49 -0.69 0.00 0.00 0.00 174.94 174.87 1j25 s VAL 82 N 1.46 5.06 -0.25 2.92 1.01 -0.02 -1.35 120.40 129.23 1j25 s VAL 82 Ca 0.02 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 1j25 s VAL 82 Cb -0.17 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1j25 s VAL 82 CO 0.01 -0.01 0.10 -0.70 0.00 0.00 0.00 175.10 174.50 1j25 s GLU 83 N 2.31 3.78 0.00 2.72 2.12 -0.04 -0.85 118.70 128.73 1j25 s GLU 83 Ca 0.19 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1j25 s GLU 83 Cb -0.16 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1j25 s GLU 83 CO 0.11 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1j25 n GLY 84 N 4.81 2.60 3.76 -1.50 0.00 0.45 -0.55 105.19 114.75 1j25 n GLY 84 Ca -0.16 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 1j25 n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j25 s SER 85 N 0.00 7.48 0.00 1.61 0.15 -1.26 -4.64 113.70 117.04 1j25 s SER 85 Ca 0.00 1.99 0.23 0.00 0.70 0.00 0.00 55.95 58.87 1j25 s SER 85 Cb 0.00 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1j25 s SER 85 CO 0.00 0.03 1.10 0.18 1.20 0.00 0.00 173.24 175.75 1j25 n LEU 86 N 1.19 1.50 -4.92 3.45 4.77 -1.26 -4.84 117.00 116.90 1j25 n LEU 86 Ca -0.01 -0.57 -0.26 0.00 -0.03 0.00 0.00 56.01 55.14 1j25 n LEU 86 Cb 0.47 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1j25 n LEU 86 CO 0.49 0.30 0.37 -0.31 -1.33 0.00 0.00 177.39 176.92 1j25 s TYR 87 N -2.68 3.52 0.00 -1.77 2.02 -1.26 -4.01 117.35 113.16 1j25 s TYR 87 Ca 0.15 0.66 0.00 0.00 -0.37 0.00 0.00 57.07 57.52 1j25 s TYR 87 Cb 0.18 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1j25 s TYR 87 CO 0.67 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.85 1j25 n GLY 88 N -2.15 0.32 3.39 0.71 0.00 -1.26 -4.88 105.19 101.31 1j25 n GLY 88 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1j25 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j25 s ILE 89 N -1.59 5.11 0.00 -0.61 -1.09 -1.26 -5.03 121.20 116.74 1j25 s ILE 89 Ca 0.00 -1.89 0.00 0.00 -2.23 0.00 0.00 60.65 56.53 1j25 s ILE 89 Cb 0.00 -4.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 1j25 s ILE 89 CO 0.00 -1.27 0.00 0.54 -1.23 0.00 0.00 174.94 172.98 1j25 n ARG 90 N 5.44 1.49 -1.08 2.79 3.00 -1.26 -4.54 116.66 122.49 1j25 n ARG 90 Ca 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.97 1j25 n ARG 90 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.92 1j25 n ARG 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1j25 n ASN 91 N 0.00 -4.19 -3.65 0.55 5.03 -1.26 -4.94 115.26 106.80 1j25 n ASN 91 Ca 0.00 0.07 -0.03 0.00 0.87 0.00 0.00 54.58 55.49 1j25 n ASN 91 Cb 0.00 -1.94 -0.07 0.00 -1.02 0.00 0.00 39.78 36.75 1j25 n ASN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1j25 s VAL 92 N -1.83 0.00 0.30 2.41 0.11 -1.26 -5.05 120.40 115.08 1j25 s VAL 92 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1j25 s VAL 92 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1j25 s VAL 92 CO 0.00 0.00 1.25 -2.28 -3.33 0.00 0.00 175.10 170.74 1j25 s HIS 93 N 0.50 3.21 0.38 1.54 2.46 -1.26 -4.91 115.29 117.21 1j25 s HIS 93 Ca 0.00 1.47 0.16 0.00 0.47 0.00 0.00 55.06 57.16 1j25 s HIS 93 Cb -0.04 -3.57 1.03 0.00 -0.13 0.00 0.00 32.58 29.87 1j25 s HIS 93 CO -0.12 -1.51 1.77 -1.35 -2.47 0.00 0.00 174.74 171.06 1j25 h PRO 94 N 3.72 0.45 0.00 2.88 0.11 -1.99 0.73 132.00 137.91 1j25 h PRO 94 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1j25 h PRO 94 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j25 h PRO 94 CO 0.67 0.30 -0.05 -0.91 -0.21 0.00 0.00 178.00 177.80 1j25 h ASN 95 N 0.46 0.00 -0.31 -2.05 2.35 -1.98 0.08 115.58 114.13 1j25 h ASN 95 Ca 0.59 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.17 1j25 h ASN 95 Cb 1.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 1j25 h ASN 95 CO -0.32 0.05 -0.43 0.00 -1.65 0.00 0.00 177.43 175.08 1j25 h ALA 96 N 1.95 0.58 -0.05 -0.83 0.00 -1.21 0.59 119.26 120.29 1j25 h ALA 96 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1j25 h ALA 96 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j25 h ALA 96 CO 0.01 0.68 -0.12 0.82 0.00 0.00 0.00 179.25 180.64 1j25 h ILE 97 N 0.70 1.43 -0.49 0.00 2.04 -1.32 -2.60 117.51 117.27 1j25 h ILE 97 Ca 0.05 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.48 1j25 h ILE 97 Cb 1.02 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 39.33 1j25 h ILE 97 CO 0.10 0.40 0.27 0.03 0.00 0.00 0.00 178.15 178.95 1j25 h ARG 98 N -0.35 0.52 -0.86 2.37 3.08 -1.01 -1.08 114.38 117.06 1j25 h ARG 98 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1j25 h ARG 98 Cb 0.71 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1j25 h ARG 98 CO 0.03 0.34 0.52 0.78 -1.07 0.00 0.00 179.97 180.57 1j25 h GLY 99 N 0.53 1.24 0.86 0.04 0.00 -0.91 -0.23 103.07 104.60 1j25 h GLY 99 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1j25 h GLY 99 CO -0.12 0.49 0.05 0.00 0.00 0.00 0.00 176.54 176.96 1j25 h ALA 100 N 1.28 0.30 -0.27 3.60 0.00 -1.07 -1.05 119.26 122.06 1j25 h ALA 100 Ca 0.31 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1j25 h ALA 100 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1j25 h ALA 100 CO -0.06 -0.03 0.14 0.82 0.00 0.00 0.00 179.25 180.11 1j25 h ILE 101 N 0.19 1.00 -0.86 0.00 2.04 -0.90 -1.24 117.51 117.74 1j25 h ILE 101 Ca 0.07 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1j25 h ILE 101 Cb 0.30 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1j25 h ILE 101 CO 0.00 0.05 0.46 0.00 0.00 0.00 0.00 178.15 178.67 1j25 h ALA 102 N 1.13 1.10 -0.25 1.87 0.00 -0.96 -1.66 119.26 120.50 1j25 h ALA 102 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j25 h ALA 102 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1j25 h ALA 102 CO -0.07 0.62 0.07 0.00 0.00 0.00 0.00 179.25 179.87 1j25 h ALA 103 N 1.25 0.33 -0.29 0.00 0.00 -0.79 -0.47 119.26 119.29 1j25 h ALA 103 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1j25 h ALA 103 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1j25 h ALA 103 CO -0.05 -0.03 0.04 0.28 0.00 0.00 0.00 179.25 179.50 1j25 h VAL 104 N 0.23 1.24 0.06 0.00 2.07 -1.08 -0.49 116.25 118.29 1j25 h VAL 104 Ca 0.08 -0.83 -0.27 0.00 0.82 0.00 0.00 66.70 66.50 1j25 h VAL 104 Cb 0.26 1.22 0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1j25 h VAL 104 CO -0.00 0.27 -1.12 0.71 0.02 0.00 0.00 177.57 177.45 1j25 h THR 105 N 0.30 1.34 0.06 2.57 1.35 -1.31 -0.83 112.91 116.38 1j25 h THR 105 Ca 0.09 -2.48 -0.36 0.00 -0.55 0.00 0.00 66.41 63.11 1j25 h THR 105 Cb 0.36 2.58 -0.04 0.00 -1.73 0.00 0.00 68.15 69.32 1j25 h THR 105 CO 0.01 0.75 -2.05 0.52 -0.25 0.00 0.00 175.52 174.49 1j25 n VAL 106 N -3.76 1.63 -0.07 6.82 0.31 -0.19 -3.47 118.33 119.60 1j25 n VAL 106 Ca -0.11 -0.49 -0.09 0.00 -0.01 0.00 0.00 64.34 63.65 1j25 n VAL 106 Cb 0.93 -1.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.06 1j25 n VAL 106 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1j25 h ASP 107 N -0.27 0.00 1.44 4.52 -0.00 -1.28 -3.35 116.42 117.48 1j25 h ASP 107 Ca -0.49 -0.44 0.00 0.00 -0.00 0.00 0.00 57.03 56.10 1j25 h ASP 107 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.15 1j25 h ASP 107 CO -0.08 0.86 0.00 -0.26 -0.00 0.00 0.00 179.24 179.77 1j25 h PHE 108 N -1.00 0.00 -2.87 0.28 0.04 -1.11 -3.47 116.94 108.81 1j25 h PHE 108 Ca -0.05 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.45 1j25 h PHE 108 Cb 0.63 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.81 1j25 h PHE 108 CO 0.09 0.00 -0.39 0.41 -0.60 0.00 0.00 178.31 177.82 1j25 n GLY 109 N 0.71 -0.13 3.26 -1.45 0.00 -0.80 -4.99 105.19 101.80 1j25 n GLY 109 Ca 0.03 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1j25 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j25 s VAL 110 N -2.90 3.36 0.34 1.61 1.01 -0.38 -4.98 120.40 118.45 1j25 s VAL 110 Ca 0.16 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 1j25 s VAL 110 Cb -0.07 -2.72 -0.12 0.00 0.00 0.00 0.00 36.38 33.47 1j25 s VAL 110 CO 0.20 0.14 1.40 -2.65 0.00 0.00 0.00 175.10 174.18 1j25 n PRO 111 N 4.75 2.37 -3.91 2.72 -0.02 -1.26 -3.62 135.00 136.03 1j25 n PRO 111 Ca -0.15 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 1j25 n PRO 111 Cb 0.47 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 1j25 n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1j25 s ILE 112 N -0.93 2.14 0.04 4.25 1.01 -1.26 -1.14 121.20 125.31 1j25 s ILE 112 Ca 0.56 -2.76 -0.23 0.00 0.00 0.00 0.00 60.65 58.22 1j25 s ILE 112 Cb -0.54 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 1j25 s ILE 112 CO 0.61 -0.75 0.68 -0.63 0.00 0.00 0.00 174.94 174.84 1j25 s ILE 113 N 0.30 4.77 -0.17 2.92 1.01 -0.01 -4.90 121.20 125.12 1j25 s ILE 113 Ca 0.15 1.44 -0.10 0.00 0.00 0.00 0.00 60.65 62.15 1j25 s ILE 113 Cb -0.23 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1j25 s ILE 113 CO -0.04 0.42 0.16 -0.36 0.00 0.00 0.00 174.94 175.11 1j25 s PHE 114 N -0.29 3.46 -0.02 3.97 0.40 -1.26 -0.84 117.98 123.41 1j25 s PHE 114 Ca 0.34 0.42 0.07 0.00 -0.60 0.00 0.00 56.93 57.16 1j25 s PHE 114 Cb -0.20 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.18 1j25 s PHE 114 CO 0.21 0.39 -0.21 0.45 0.70 0.00 0.00 175.22 176.75 1j25 s SER 115 N 0.03 2.52 0.26 1.36 0.15 -0.03 -4.94 113.70 113.04 1j25 s SER 115 Ca 0.11 -0.39 0.22 0.00 0.70 0.00 0.00 55.95 56.59 1j25 s SER 115 Cb -0.12 -0.28 0.08 0.00 -1.71 0.00 0.00 66.02 63.99 1j25 s SER 115 CO 0.00 0.26 1.18 0.77 1.20 0.00 0.00 173.24 176.66 1j25 h SER 116 N 5.59 0.00 -5.27 5.45 4.64 -1.88 0.13 113.55 122.20 1j25 h SER 116 Ca -0.40 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 1j25 h SER 116 Cb 1.14 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.11 1j25 h SER 116 CO 0.48 0.06 -0.24 0.42 -0.87 0.00 0.00 176.83 176.67 1j25 s THR 117 N -3.28 0.03 0.40 2.95 -4.23 -1.26 -4.18 115.64 106.07 1j25 s THR 117 Ca 0.01 -1.40 0.12 0.00 -1.18 0.00 0.00 61.69 59.24 1j25 s THR 117 Cb 0.08 -2.03 0.14 0.00 1.34 0.00 0.00 72.50 72.03 1j25 s THR 117 CO 0.76 -0.13 1.90 1.55 -0.54 0.00 0.00 174.62 178.16 1j25 h PRO 118 N 2.41 0.09 -0.61 3.99 0.13 -1.94 -1.44 132.00 134.63 1j25 h PRO 118 Ca -0.30 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1j25 h PRO 118 Cb 1.24 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1j25 h PRO 118 CO 0.43 0.33 0.22 0.93 -0.23 0.00 0.00 178.00 179.67 1j25 h GLU 119 N 0.09 0.94 -0.25 0.86 3.07 -1.94 -1.16 114.58 116.18 1j25 h GLU 119 Ca 0.01 -0.19 -0.12 0.00 -0.50 0.00 0.00 59.36 58.57 1j25 h GLU 119 Cb 0.46 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1j25 h GLU 119 CO 0.03 0.82 -0.34 1.49 -1.40 0.00 0.00 179.01 179.61 1j25 h GLU 120 N 0.86 0.54 -0.70 2.33 4.81 -1.79 -0.84 114.58 119.79 1j25 h GLU 120 Ca 0.20 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1j25 h GLU 120 Cb 0.25 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1j25 h GLU 120 CO -0.01 0.80 0.36 1.15 -0.73 0.00 0.00 179.01 180.58 1j25 h THR 121 N 0.46 1.22 -0.61 0.32 2.02 -0.96 -1.04 112.91 114.32 1j25 h THR 121 Ca 0.05 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1j25 h THR 121 Cb 0.81 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1j25 h THR 121 CO 0.07 0.25 0.25 0.00 0.37 0.00 0.00 175.52 176.46 1j25 h ALA 122 N 1.18 0.79 -0.85 6.16 0.00 -0.73 -1.28 119.26 124.53 1j25 h ALA 122 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j25 h ALA 122 Cb 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1j25 h ALA 122 CO -0.04 0.41 0.54 1.96 0.00 0.00 0.00 179.25 182.12 1j25 h GLN 123 N 0.85 1.13 -0.17 0.00 1.08 -0.64 0.47 115.11 117.84 1j25 h GLN 123 Ca 0.20 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 1j25 h GLN 123 Cb 0.20 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1j25 h GLN 123 CO -0.02 0.77 -0.04 1.88 -0.95 0.00 0.00 178.83 180.47 1j25 h TYR 124 N 1.16 0.36 -0.73 2.96 0.05 -0.84 -1.97 116.97 117.97 1j25 h TYR 124 Ca 0.31 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 59.06 1j25 h TYR 124 Cb -0.09 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.50 1j25 h TYR 124 CO 0.00 0.59 0.43 0.82 -1.05 0.00 0.00 178.16 178.96 1j25 h ILE 125 N 0.03 1.02 0.01 -2.88 2.04 -0.80 -1.49 117.51 115.44 1j25 h ILE 125 Ca 0.04 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1j25 h ILE 125 Cb 0.47 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1j25 h ILE 125 CO 0.02 0.15 -0.00 0.15 0.00 0.00 0.00 178.15 178.46 1j25 h PHE 126 N 0.81 -0.01 -0.15 1.37 3.04 -0.82 -0.98 116.94 120.19 1j25 h PHE 126 Ca 0.31 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.18 1j25 h PHE 126 Cb 0.14 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1j25 h PHE 126 CO -0.06 0.06 -0.30 1.37 -2.02 0.00 0.00 178.31 177.37 1j25 h LEU 127 N -0.09 0.29 -0.17 0.59 8.10 -1.09 -0.87 115.31 122.08 1j25 h LEU 127 Ca -0.00 -0.10 -0.05 0.00 0.11 0.00 0.00 57.88 57.84 1j25 h LEU 127 Cb 0.08 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1j25 h LEU 127 CO 0.00 0.59 -0.09 0.40 -4.11 0.00 0.00 178.44 175.23 1j25 h ILE 128 N 0.26 1.31 -0.86 0.15 1.08 -1.16 -2.53 117.51 115.75 1j25 h ILE 128 Ca 0.04 -1.15 -0.02 0.00 -0.39 0.00 0.00 64.86 63.33 1j25 h ILE 128 Cb 0.67 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 1j25 h ILE 128 CO 0.05 0.34 0.46 0.00 -0.69 0.00 0.00 178.15 178.31 1j25 h ALA 129 N 0.68 1.10 -0.70 1.87 0.00 -0.97 -1.34 119.26 119.90 1j25 h ALA 129 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1j25 h ALA 129 Cb 0.58 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1j25 h ALA 129 CO 0.03 0.62 0.41 -0.22 0.00 0.00 0.00 179.25 180.09 1j25 h LYS 130 N 1.20 0.96 -0.48 0.00 3.64 -1.11 -0.52 116.57 120.26 1j25 h LYS 130 Ca 0.30 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1j25 h LYS 130 Cb 0.05 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1j25 h LYS 130 CO -0.05 0.70 -0.12 0.00 -2.27 0.00 0.00 179.45 177.71 1j25 h ARG 131 N 0.96 0.90 -0.50 1.90 3.08 -1.10 -1.74 114.38 117.87 1j25 h ARG 131 Ca 0.25 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1j25 h ARG 131 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1j25 h ARG 131 CO -0.04 0.96 0.26 1.49 -1.07 0.00 0.00 179.97 181.58 1j25 h GLU 132 N 0.80 0.71 -0.24 0.04 4.22 -0.72 -1.97 114.58 117.41 1j25 h GLU 132 Ca 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1j25 h GLU 132 Cb 0.65 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1j25 h GLU 132 CO 0.04 0.56 0.11 0.37 -2.18 0.00 0.00 179.01 177.92 1j25 h GLN 133 N 0.67 0.36 -0.62 1.92 4.15 -0.92 -1.88 115.11 118.79 1j25 h GLN 133 Ca 0.18 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1j25 h GLN 133 Cb 0.07 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1j25 h GLN 133 CO -0.03 0.38 0.36 0.93 -1.93 0.00 0.00 178.83 178.54 1j25 h GLU 134 N 0.25 0.84 -0.02 1.69 5.08 -1.14 -2.89 114.58 118.40 1j25 h GLU 134 Ca 0.08 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1j25 h GLU 134 Cb 0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1j25 h GLU 134 CO -0.01 0.60 -0.22 -0.85 -1.00 0.00 0.00 179.01 177.53 1j25 n GLU 135 N -4.40 1.37 0.00 2.33 0.28 -0.76 -5.11 120.64 114.36 1j25 n GLU 135 Ca 0.06 -0.98 0.07 0.00 -0.16 0.00 0.00 57.16 56.15 1j25 n GLU 135 Cb 0.08 -1.48 0.43 0.00 1.43 0.00 0.00 31.44 31.91 1j25 n GLU 135 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84