#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k26 s ILE 2 N 0.00 5.06 0.28 1.12 1.01 -1.26 -0.56 121.20 126.85 1k26 s ILE 2 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 60.65 61.97 1k26 s ILE 2 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1k26 s ILE 2 CO 0.00 0.29 0.09 0.68 0.00 0.00 0.00 174.94 176.00 1k26 s VAL 3 N 0.61 0.75 0.03 2.92 -7.23 -0.49 -1.87 120.40 115.11 1k26 s VAL 3 Ca 0.34 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1k26 s VAL 3 Cb -0.17 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1k26 s VAL 3 CO 0.16 0.00 0.03 0.28 -0.31 0.00 0.00 175.10 175.26 1k26 s THR 4 N -3.60 0.13 0.05 5.32 -1.32 -0.02 -1.27 115.64 114.92 1k26 s THR 4 Ca 0.37 -1.10 0.01 0.00 -1.21 0.00 0.00 61.69 59.77 1k26 s THR 4 Cb 0.08 -0.69 -0.03 0.00 -1.51 0.00 0.00 72.50 70.35 1k26 s THR 4 CO 0.14 -0.60 -0.06 -0.44 -2.21 0.00 0.00 174.62 171.45 1k26 s SER 5 N -1.90 0.70 -0.11 8.08 0.01 -0.76 -0.75 113.70 118.97 1k26 s SER 5 Ca -0.09 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.52 1k26 s SER 5 Cb -0.04 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1k26 s SER 5 CO -0.03 -0.33 -0.20 -0.83 0.41 0.00 0.00 173.24 172.26 1k26 s GLY 6 N -1.98 1.20 -0.34 3.44 0.00 -0.24 -0.67 107.32 108.72 1k26 s GLY 6 Ca -0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.68 1k26 s GLY 6 CO -0.02 -0.02 0.19 0.14 0.00 0.00 0.00 173.10 173.38 1k26 s VAL 7 N 0.72 4.64 -0.24 1.40 1.01 -0.10 -3.89 120.40 123.95 1k26 s VAL 7 Ca -0.11 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1k26 s VAL 7 Cb -0.16 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.78 1k26 s VAL 7 CO 0.02 -0.09 -0.12 -0.22 0.00 0.00 0.00 175.10 174.69 1k26 s LEU 8 N 1.59 3.04 -0.13 3.92 2.96 -1.26 -1.26 118.68 127.54 1k26 s LEU 8 Ca 0.04 -1.08 0.02 0.00 -0.22 0.00 0.00 54.13 52.89 1k26 s LEU 8 Cb -0.18 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1k26 s LEU 8 CO 0.07 -0.13 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.07 1k26 s VAL 9 N 1.20 1.93 -0.02 1.68 1.01 -1.26 -1.49 120.40 123.45 1k26 s VAL 9 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1k26 s VAL 9 Cb -0.17 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1k26 s VAL 9 CO -0.07 0.53 0.01 -1.61 0.00 0.00 0.00 175.10 173.96 1k26 s GLU 10 N 0.81 0.11 -1.43 2.72 2.02 0.39 -4.91 118.70 118.42 1k26 s GLU 10 Ca -0.08 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 1k26 s GLU 10 Cb -0.16 -0.30 0.01 0.00 0.10 0.00 0.00 34.13 33.78 1k26 s GLU 10 CO -0.01 -0.12 0.43 0.09 0.02 0.00 0.00 175.26 175.67 1k26 n ASN 11 N 3.94 -0.46 -0.16 -0.19 3.02 -1.26 -1.22 115.26 118.93 1k26 n ASN 11 Ca -0.24 -1.01 -0.02 0.00 -0.03 0.00 0.00 54.58 53.27 1k26 n ASN 11 Cb 0.52 -3.00 -0.01 0.00 -0.61 0.00 0.00 39.78 36.68 1k26 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k26 n GLY 12 N -1.97 0.48 3.09 7.41 0.00 -1.26 -5.01 105.19 107.93 1k26 n GLY 12 Ca -0.29 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1k26 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k26 s LYS 13 N -1.28 1.02 -0.10 1.61 1.02 -0.36 -1.22 119.74 120.44 1k26 s LYS 13 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1k26 s LYS 13 Cb 0.00 -0.99 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 1k26 s LYS 13 CO 0.00 0.27 -0.10 0.54 -0.92 0.00 0.00 175.35 175.14 1k26 s VAL 14 N -0.34 3.43 -0.34 3.17 0.11 -0.04 -0.46 120.40 125.92 1k26 s VAL 14 Ca 0.05 -0.56 -0.25 0.00 -2.93 0.00 0.00 61.98 58.29 1k26 s VAL 14 Cb -0.05 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.39 1k26 s VAL 14 CO -0.00 0.56 0.86 -0.22 -3.33 0.00 0.00 175.10 172.96 1k26 s LEU 15 N -0.28 4.06 0.19 2.54 2.96 -0.55 -0.87 118.68 126.73 1k26 s LEU 15 Ca 0.03 0.58 0.11 0.00 -0.22 0.00 0.00 54.13 54.63 1k26 s LEU 15 Cb -0.13 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1k26 s LEU 15 CO 0.03 -0.75 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.33 1k26 s LEU 16 N 3.23 2.46 0.25 -0.68 1.43 -0.74 -4.50 118.68 120.12 1k26 s LEU 16 Ca 0.35 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1k26 s LEU 16 Cb -0.13 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 1k26 s LEU 16 CO 0.16 0.06 -0.12 0.68 0.23 0.00 0.00 176.35 177.36 1k26 s VAL 17 N -1.90 1.87 0.07 -1.59 -7.23 -0.02 -0.66 120.40 110.94 1k26 s VAL 17 Ca 0.20 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 1k26 s VAL 17 Cb -0.07 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1k26 s VAL 17 CO 0.09 -0.43 1.02 -0.54 -0.31 0.00 0.00 175.10 174.93 1k26 s LYS 18 N -3.65 4.60 0.30 4.82 1.02 -1.26 -0.65 119.74 124.91 1k26 s LYS 18 Ca 0.27 1.52 -0.29 0.00 0.02 0.00 0.00 55.97 57.48 1k26 s LYS 18 Cb 0.00 -3.39 -0.13 0.00 -0.52 0.00 0.00 37.83 33.80 1k26 s LYS 18 CO 0.11 0.03 1.38 1.58 -0.92 0.00 0.00 175.35 177.53 1k26 n HIS 19 N 3.31 2.33 -0.12 3.18 -0.00 0.14 -4.78 115.22 119.29 1k26 n HIS 19 Ca 0.05 0.47 0.11 0.00 -0.00 0.00 0.00 57.72 58.34 1k26 n HIS 19 Cb 0.49 -2.46 0.45 0.00 -0.00 0.00 0.00 29.99 28.48 1k26 n HIS 19 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1k26 h LYS 20 N 3.45 0.50 0.00 1.57 1.57 -1.93 -0.58 116.57 121.16 1k26 h LYS 20 Ca -0.46 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.10 1k26 h LYS 20 Cb 1.27 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 1k26 h LYS 20 CO 0.69 0.33 -1.74 0.54 -0.57 0.00 0.00 179.45 178.71 1k26 n ARG 21 N -4.48 1.91 0.03 3.15 1.74 -1.26 -4.70 116.66 113.05 1k26 n ARG 21 Ca 0.11 0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 1k26 n ARG 21 Cb 0.34 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 1k26 n ARG 21 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k26 n LEU 22 N -2.49 0.36 0.00 0.55 4.77 -1.24 -4.99 117.00 113.97 1k26 n LEU 22 Ca -0.19 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1k26 n LEU 22 Cb 0.83 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1k26 n LEU 22 CO 0.21 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1k26 n GLY 23 N 1.25 2.12 3.62 -0.72 0.00 -0.23 -4.89 105.19 106.35 1k26 n GLY 23 Ca -0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1k26 n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k26 n VAL 24 N 0.00 3.55 -2.38 1.61 0.24 -1.26 -3.24 118.33 116.84 1k26 n VAL 24 Ca 0.00 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 1k26 n VAL 24 Cb 0.00 -1.16 -0.04 0.00 -1.47 0.00 0.00 33.84 31.18 1k26 n VAL 24 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1k26 s TYR 25 N -1.62 3.45 0.11 6.34 1.51 -0.75 0.29 117.35 126.67 1k26 s TYR 25 Ca 0.76 1.58 -0.16 0.00 -1.01 0.00 0.00 57.07 58.24 1k26 s TYR 25 Cb -0.38 -3.39 0.03 0.00 -0.11 0.00 0.00 41.96 38.11 1k26 s TYR 25 CO 0.47 -0.95 0.38 -1.50 -1.11 0.00 0.00 175.55 172.85 1k26 s ILE 26 N -0.88 0.07 0.57 2.71 2.07 0.17 -0.46 121.20 125.46 1k26 s ILE 26 Ca 0.47 -0.61 -0.19 0.00 -1.41 0.00 0.00 60.65 58.91 1k26 s ILE 26 Cb -0.34 -1.14 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 1k26 s ILE 26 CO 0.42 -0.34 1.20 -0.72 -1.91 0.00 0.00 174.94 173.60 1k26 s TYR 27 N -3.57 2.45 0.61 3.50 -0.85 -1.26 -0.84 117.35 117.39 1k26 s TYR 27 Ca 0.02 1.51 -0.19 0.00 -0.52 0.00 0.00 57.07 57.89 1k26 s TYR 27 Cb 0.02 -3.47 -0.03 0.00 0.38 0.00 0.00 41.96 38.86 1k26 s TYR 27 CO -0.10 -2.13 1.25 -2.14 -1.52 0.00 0.00 175.55 170.91 1k26 s PRO 28 N -3.25 2.83 0.00 -3.49 0.02 -1.25 -4.78 135.00 125.07 1k26 s PRO 28 Ca 0.76 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1k26 s PRO 28 Cb -0.30 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1k26 s PRO 28 CO 0.33 -1.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 1k26 n GLY 29 N 0.68 -1.25 0.00 0.52 0.00 -1.26 -1.08 105.19 102.81 1k26 n GLY 29 Ca 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1k26 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k26 n GLY 30 N 0.00 -1.37 3.77 -0.02 0.00 0.07 -4.90 105.19 102.74 1k26 n GLY 30 Ca 0.00 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1k26 n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k26 s HIS 31 N -2.98 2.92 -0.23 1.61 3.76 -1.26 -0.84 115.29 118.27 1k26 s HIS 31 Ca 0.00 1.56 -0.21 0.00 -0.15 0.00 0.00 55.06 56.26 1k26 s HIS 31 Cb 0.00 -3.31 -0.02 0.00 1.11 0.00 0.00 32.58 30.36 1k26 s HIS 31 CO 0.00 -1.33 0.65 0.08 -0.85 0.00 0.00 174.74 173.29 1k26 s VAL 32 N -1.62 4.99 0.61 -0.90 1.01 -0.78 -4.83 120.40 118.88 1k26 s VAL 32 Ca 0.64 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.67 1k26 s VAL 32 Cb -0.26 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1k26 s VAL 32 CO 0.32 0.06 1.05 -1.61 0.00 0.00 0.00 175.10 174.91 1k26 s GLU 33 N 2.24 3.33 0.31 2.72 2.02 -1.26 -4.90 118.70 123.16 1k26 s GLU 33 Ca 0.28 1.11 0.06 0.00 0.02 0.00 0.00 54.97 56.44 1k26 s GLU 33 Cb -0.16 -2.04 0.73 0.00 0.10 0.00 0.00 34.13 32.76 1k26 s GLU 33 CO 0.09 -0.79 1.81 0.45 0.02 0.00 0.00 175.26 176.84 1k26 h HIS 34 N 0.24 1.02 -0.13 1.61 3.86 -2.02 -1.96 115.15 117.77 1k26 h HIS 34 Ca -0.46 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1k26 h HIS 34 Cb 1.21 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1k26 h HIS 34 CO 0.60 0.29 0.00 0.27 0.86 0.00 0.00 177.93 179.96 1k26 n ASN 35 N -4.68 1.45 -3.86 2.45 6.94 -1.26 -4.92 115.26 111.37 1k26 n ASN 35 Ca 0.21 -2.11 -0.09 0.00 -0.02 0.00 0.00 54.58 52.58 1k26 n ASN 35 Cb 0.52 -0.35 -0.07 0.00 -2.36 0.00 0.00 39.78 37.52 1k26 n ASN 35 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1k26 s GLU 36 N -1.55 0.95 0.42 -3.83 -1.05 -0.74 -5.13 118.70 107.76 1k26 s GLU 36 Ca 0.11 -0.98 -0.04 0.00 -0.15 0.00 0.00 54.97 53.90 1k26 s GLU 36 Cb 0.07 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1k26 s GLU 36 CO 0.05 -0.32 0.69 0.95 0.95 0.00 0.00 175.26 177.58 1k26 s THR 37 N -3.88 4.97 0.45 1.83 -4.23 -1.26 -4.63 115.64 108.89 1k26 s THR 37 Ca 0.08 0.03 0.16 0.00 -1.18 0.00 0.00 61.69 60.77 1k26 s THR 37 Cb 0.04 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 70.37 1k26 s THR 37 CO -0.08 -0.68 2.00 -0.65 -0.54 0.00 0.00 174.62 174.66 1k26 h PRO 38 N 0.62 0.31 -0.35 3.99 0.11 -1.98 0.20 132.00 134.89 1k26 h PRO 38 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1k26 h PRO 38 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1k26 h PRO 38 CO 0.62 0.20 0.17 0.82 -0.21 0.00 0.00 178.00 179.61 1k26 h ILE 39 N 0.32 1.17 -0.58 4.15 1.08 -2.00 -0.94 117.51 120.71 1k26 h ILE 39 Ca 0.25 -0.48 -0.10 0.00 -0.39 0.00 0.00 64.86 64.14 1k26 h ILE 39 Cb 0.55 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1k26 h ILE 39 CO -0.06 0.18 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.20 1k26 h GLU 40 N 0.43 1.05 -0.61 2.37 5.08 -1.69 -2.89 114.58 118.33 1k26 h GLU 40 Ca 0.12 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1k26 h GLU 40 Cb 0.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1k26 h GLU 40 CO -0.01 1.05 0.23 0.00 -1.00 0.00 0.00 179.01 179.28 1k26 h ALA 41 N 0.98 0.79 -0.21 3.43 0.00 -0.74 -0.84 119.26 122.67 1k26 h ALA 41 Ca 0.16 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1k26 h ALA 41 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1k26 h ALA 41 CO 0.04 0.42 -0.35 -0.24 0.00 0.00 0.00 179.25 179.12 1k26 h VAL 42 N 0.85 1.29 -0.30 0.00 3.04 -1.10 0.43 116.25 120.47 1k26 h VAL 42 Ca 0.20 -1.45 -0.08 0.00 -1.01 0.00 0.00 66.70 64.37 1k26 h VAL 42 Cb 0.22 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 1k26 h VAL 42 CO -0.01 0.45 -0.11 0.11 -1.01 0.00 0.00 177.57 177.00 1k26 h LYS 43 N 0.38 0.60 -0.20 4.17 1.57 -1.30 -1.19 116.57 120.60 1k26 h LYS 43 Ca 0.04 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1k26 h LYS 43 Cb 0.80 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1k26 h LYS 43 CO 0.06 0.81 0.07 -0.09 -0.57 0.00 0.00 179.45 179.74 1k26 h ARG 44 N 0.35 0.31 -0.62 3.15 2.43 -0.86 -2.46 114.38 116.69 1k26 h ARG 44 Ca 0.07 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1k26 h ARG 44 Cb 0.62 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1k26 h ARG 44 CO 0.04 0.40 0.09 0.93 -1.51 0.00 0.00 179.97 179.91 1k26 h GLU 45 N 0.15 1.02 -0.44 0.20 5.08 -0.89 -0.89 114.58 118.81 1k26 h GLU 45 Ca 0.06 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1k26 h GLU 45 Cb 0.21 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1k26 h GLU 45 CO -0.00 0.95 0.10 0.35 -1.00 0.00 0.00 179.01 179.40 1k26 h PHE 46 N 0.96 0.75 -0.22 4.33 3.57 -1.17 -0.12 116.94 125.04 1k26 h PHE 46 Ca 0.19 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1k26 h PHE 46 Cb 0.43 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1k26 h PHE 46 CO 0.03 0.70 -0.11 1.49 -2.23 0.00 0.00 178.31 178.18 1k26 h GLU 47 N 0.58 0.47 -0.87 1.11 4.81 -1.25 -1.09 114.58 118.34 1k26 h GLU 47 Ca 0.14 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1k26 h GLU 47 Cb 0.33 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1k26 h GLU 47 CO 0.00 0.75 0.54 0.93 -0.73 0.00 0.00 179.01 180.50 1k26 h GLU 48 N 0.17 1.17 0.00 1.92 5.08 -1.08 0.46 114.58 122.31 1k26 h GLU 48 Ca 0.05 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1k26 h GLU 48 Cb 0.61 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1k26 h GLU 48 CO 0.03 0.81 -0.41 0.93 -1.00 0.00 0.00 179.01 179.37 1k26 h GLU 49 N 1.19 0.00 0.00 2.33 5.08 -0.96 -3.40 114.58 118.82 1k26 h GLU 49 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1k26 h GLU 49 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1k26 h GLU 49 CO -0.06 0.19 -0.62 0.25 -1.00 0.00 0.00 179.01 177.76 1k26 n THR 50 N -3.07 0.00 -0.09 1.13 -2.24 -0.42 -4.45 114.28 105.14 1k26 n THR 50 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1k26 n THR 50 Cb 0.62 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1k26 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k26 n GLY 51 N 1.60 1.06 3.81 3.38 0.00 0.16 -0.01 105.19 115.19 1k26 n GLY 51 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1k26 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k26 s ILE 52 N -2.47 4.76 -0.19 -0.61 -1.09 -1.25 -1.49 121.20 118.86 1k26 s ILE 52 Ca 0.00 1.20 -0.08 0.00 -2.23 0.00 0.00 60.65 59.54 1k26 s ILE 52 Cb 0.00 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1k26 s ILE 52 CO 0.00 0.55 0.08 -0.69 -1.23 0.00 0.00 174.94 173.64 1k26 s VAL 53 N -1.05 4.87 0.32 2.92 1.01 -0.44 -3.02 120.40 125.02 1k26 s VAL 53 Ca 0.29 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1k26 s VAL 53 Cb -0.19 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1k26 s VAL 53 CO 0.19 0.45 0.07 0.68 0.00 0.00 0.00 175.10 176.48 1k26 s VAL 54 N 0.47 1.07 -0.05 2.92 -7.23 -1.26 -0.02 120.40 116.30 1k26 s VAL 54 Ca 0.04 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1k26 s VAL 54 Cb -0.12 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.09 1k26 s VAL 54 CO 0.00 0.00 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.05 1k26 s GLU 55 N -3.90 0.89 0.35 4.82 2.56 -0.34 -4.83 118.70 118.25 1k26 s GLU 55 Ca 0.36 -0.11 -0.28 0.00 0.00 0.00 0.00 54.97 54.94 1k26 s GLU 55 Cb 0.08 -0.92 -0.10 0.00 2.00 0.00 0.00 34.13 35.19 1k26 s GLU 55 CO 0.15 -0.11 1.32 -2.14 -0.56 0.00 0.00 175.26 173.92 1k26 s PRO 56 N 1.05 4.25 0.30 4.30 0.02 -1.26 -1.43 135.00 142.24 1k26 s PRO 56 Ca -0.09 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.21 1k26 s PRO 56 Cb -0.14 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.33 1k26 s PRO 56 CO -0.01 -0.28 -0.03 0.96 -0.33 0.00 0.00 177.00 177.32 1k26 s ILE 57 N -1.17 1.62 0.00 2.83 -4.36 -0.22 -4.89 121.20 115.01 1k26 s ILE 57 Ca 0.51 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1k26 s ILE 57 Cb -0.40 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.73 1k26 s ILE 57 CO 0.53 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 176.11 1k26 n GLY 58 N -0.65 0.99 3.75 6.27 0.00 -1.26 -4.21 105.19 110.08 1k26 n GLY 58 Ca -0.05 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1k26 n GLY 58 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k26 s PHE 59 N -1.96 3.05 0.00 1.61 5.36 -1.26 -4.54 117.98 120.23 1k26 s PHE 59 Ca 0.00 1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 57.10 1k26 s PHE 59 Cb 0.00 -3.76 -0.01 0.00 -0.34 0.00 0.00 43.02 38.91 1k26 s PHE 59 CO 0.00 -2.38 0.02 0.95 -1.46 0.00 0.00 175.22 172.35 1k26 s THR 60 N -0.28 0.06 0.08 0.12 -4.23 -1.26 -1.34 115.64 108.78 1k26 s THR 60 Ca 0.56 -0.49 0.15 0.00 -1.18 0.00 0.00 61.69 60.74 1k26 s THR 60 Cb -0.41 -0.19 0.04 0.00 1.34 0.00 0.00 72.50 73.28 1k26 s THR 60 CO 0.45 -0.27 1.57 1.88 -0.54 0.00 0.00 174.62 177.71 1k26 h TYR 61 N 5.24 0.00 0.00 3.99 -1.99 -1.96 -3.47 116.97 118.78 1k26 h TYR 61 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1k26 h TYR 61 Cb 1.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.94 1k26 h TYR 61 CO 0.54 0.53 0.00 0.41 -0.00 0.00 0.00 178.16 179.65 1k26 n GLY 62 N 0.69 1.99 3.67 3.88 0.00 -1.26 -5.08 105.19 109.08 1k26 n GLY 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k26 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k26 s ILE 63 N -2.00 4.79 -0.26 -0.61 1.01 -1.26 -4.99 121.20 117.87 1k26 s ILE 63 Ca 0.00 1.91 -0.10 0.00 0.00 0.00 0.00 60.65 62.45 1k26 s ILE 63 Cb 0.00 -4.26 0.10 0.00 0.01 0.00 0.00 42.46 38.32 1k26 s ILE 63 CO 0.00 -0.04 0.59 -0.51 0.00 0.00 0.00 174.94 174.98 1k26 s ILE 64 N 2.38 -0.63 0.00 2.92 2.07 -1.26 -0.67 121.20 126.01 1k26 s ILE 64 Ca 0.44 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1k26 s ILE 64 Cb -0.17 -0.89 0.00 0.00 0.13 0.00 0.00 42.46 41.53 1k26 s ILE 64 CO 0.13 0.02 0.00 -0.90 -1.91 0.00 0.00 174.94 172.28 1k26 n ASP 65 N 5.10 0.00 0.07 4.50 5.68 -0.26 -5.00 116.55 126.64 1k26 n ASP 65 Ca -0.14 -0.31 0.10 0.00 -0.50 0.00 0.00 54.79 53.94 1k26 n ASP 65 Cb 0.52 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.91 1k26 n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1k26 n GLU 66 N 0.00 0.11 -0.00 0.11 4.71 -1.26 -3.50 120.64 120.81 1k26 n GLU 66 Ca 0.00 0.34 0.04 0.00 -0.01 0.00 0.00 57.16 57.54 1k26 n GLU 66 Cb 0.00 -1.70 -0.06 0.00 -1.01 0.00 0.00 31.44 28.66 1k26 n GLU 66 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1k26 n ASN 67 N -1.91 2.62 -3.49 1.62 3.02 -1.26 -5.07 115.26 110.79 1k26 n ASN 67 Ca 0.03 -0.12 -0.12 0.00 -0.03 0.00 0.00 54.58 54.34 1k26 n ASN 67 Cb 0.20 1.32 -0.03 0.00 -0.61 0.00 0.00 39.78 40.66 1k26 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k26 s ALA 68 N -2.45 -1.76 -0.08 5.41 0.00 -1.23 -5.14 121.76 116.50 1k26 s ALA 68 Ca -0.02 1.02 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1k26 s ALA 68 Cb 0.06 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1k26 s ALA 68 CO 0.35 -0.58 -0.11 0.54 0.00 0.00 0.00 175.76 175.96 1k26 s VAL 69 N -2.53 1.13 0.32 0.00 0.11 -1.26 -1.10 120.40 117.07 1k26 s VAL 69 Ca -0.01 -0.44 -0.29 0.00 -2.93 0.00 0.00 61.98 58.31 1k26 s VAL 69 Cb -0.01 -1.06 -0.10 0.00 -1.53 0.00 0.00 36.38 33.68 1k26 s VAL 69 CO -0.04 0.36 1.18 -0.70 -3.33 0.00 0.00 175.10 172.57 1k26 s GLU 70 N 0.94 4.45 0.13 1.54 2.12 0.16 -5.01 118.70 123.02 1k26 s GLU 70 Ca -0.09 1.95 0.07 0.00 0.36 0.00 0.00 54.97 57.26 1k26 s GLU 70 Cb -0.15 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1k26 s GLU 70 CO 0.00 -0.01 -0.07 1.03 -0.54 0.00 0.00 175.26 175.68 1k26 s ARG 71 N -1.70 2.20 0.50 4.30 1.81 -1.26 -4.92 118.95 119.87 1k26 s ARG 71 Ca 0.48 -1.06 -0.23 0.00 -1.72 0.00 0.00 55.73 53.19 1k26 s ARG 71 Cb -0.34 -2.31 -0.07 0.00 -0.45 0.00 0.00 34.95 31.77 1k26 s ARG 71 CO 0.45 0.49 1.35 -0.35 -0.68 0.00 0.00 175.30 176.56 1k26 n PRO 72 N 0.44 1.88 -2.38 3.54 -0.04 -1.26 -4.87 135.00 132.31 1k26 n PRO 72 Ca -0.12 0.68 -0.37 0.00 -0.04 0.00 0.00 63.50 63.65 1k26 n PRO 72 Cb 0.53 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.42 1k26 n PRO 72 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1k26 s MET 73 N -2.63 3.89 0.85 0.54 -1.94 -0.45 -4.89 119.30 114.68 1k26 s MET 73 Ca 0.67 1.65 -0.11 0.00 -1.71 0.00 0.00 55.69 56.19 1k26 s MET 73 Cb -0.44 -2.42 0.10 0.00 2.01 0.00 0.00 34.83 34.08 1k26 s MET 73 CO 0.53 -0.41 1.10 -2.14 -0.01 0.00 0.00 175.02 174.09 1k26 s PRO 74 N -2.68 1.60 0.16 2.03 0.02 -1.26 -4.28 135.00 130.59 1k26 s PRO 74 Ca 0.62 1.12 -0.09 0.00 0.02 0.00 0.00 61.00 62.67 1k26 s PRO 74 Cb -0.25 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.46 1k26 s PRO 74 CO 0.31 -2.09 1.51 1.25 -0.33 0.00 0.00 177.00 177.65 1k26 h LEU 75 N -1.46 0.92 -7.00 -5.54 5.85 0.06 -3.47 115.31 104.67 1k26 h LEU 75 Ca -0.46 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 57.86 1k26 h LEU 75 Cb 1.26 -0.26 -0.17 0.00 0.37 0.00 0.00 40.66 41.86 1k26 h LEU 75 CO 0.50 1.19 0.33 0.54 -0.34 0.00 0.00 178.44 180.66 1k26 s VAL 76 N -4.39 0.00 -0.19 1.05 0.11 -1.02 -5.05 120.40 110.91 1k26 s VAL 76 Ca -0.10 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1k26 s VAL 76 Cb 0.12 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1k26 s VAL 76 CO 0.87 0.00 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.88 1k26 s ILE 77 N -2.19 1.79 -0.11 7.04 1.01 -1.26 -1.18 121.20 126.31 1k26 s ILE 77 Ca -0.03 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1k26 s ILE 77 Cb -0.01 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1k26 s ILE 77 CO -0.01 0.28 -0.17 -0.76 0.00 0.00 0.00 174.94 174.28 1k26 s LEU 78 N 1.35 2.50 -0.50 2.97 1.43 -0.85 -4.97 118.68 120.61 1k26 s LEU 78 Ca 0.00 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1k26 s LEU 78 Cb -0.15 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.61 1k26 s LEU 78 CO -0.09 0.19 0.48 -0.70 0.23 0.00 0.00 176.35 176.46 1k26 s GLU 79 N 0.20 3.02 0.04 1.70 2.12 -1.26 -0.97 118.70 123.54 1k26 s GLU 79 Ca -0.10 -1.29 -0.18 0.00 0.36 0.00 0.00 54.97 53.76 1k26 s GLU 79 Cb -0.16 -4.16 -0.06 0.00 0.26 0.00 0.00 34.13 30.01 1k26 s GLU 79 CO 0.06 -1.15 0.51 -1.21 -0.54 0.00 0.00 175.26 172.93 1k26 s GLU 80 N 1.93 4.10 -0.29 4.30 2.02 0.58 -4.93 118.70 126.41 1k26 s GLU 80 Ca 0.07 0.61 -0.07 0.00 0.02 0.00 0.00 54.97 55.60 1k26 s GLU 80 Cb -0.24 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.76 1k26 s GLU 80 CO 0.07 0.64 0.08 0.08 0.02 0.00 0.00 175.26 176.15 1k26 s VAL 81 N -1.02 3.92 -0.38 2.63 1.01 -1.26 -0.83 120.40 124.46 1k26 s VAL 81 Ca 0.27 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1k26 s VAL 81 Cb -0.18 -3.03 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1k26 s VAL 81 CO 0.17 0.07 0.19 -0.69 0.00 0.00 0.00 175.10 174.84 1k26 s VAL 82 N 1.49 3.96 -0.25 2.92 1.01 0.80 -4.96 120.40 125.37 1k26 s VAL 82 Ca 0.02 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1k26 s VAL 82 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1k26 s VAL 82 CO 0.02 -0.38 0.40 -0.54 0.00 0.00 0.00 175.10 174.60 1k26 s LYS 83 N 1.39 4.07 0.14 2.72 1.02 -1.26 -0.34 119.74 127.48 1k26 s LYS 83 Ca 0.02 0.13 0.10 0.00 0.02 0.00 0.00 55.97 56.23 1k26 s LYS 83 Cb -0.21 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 1k26 s LYS 83 CO 0.02 -0.22 -0.18 0.71 -0.92 0.00 0.00 175.35 174.75 1k26 s TYR 84 N 1.91 2.50 0.44 3.18 1.51 -0.04 -5.01 117.35 121.83 1k26 s TYR 84 Ca 0.17 -0.28 0.13 0.00 -1.01 0.00 0.00 57.07 56.08 1k26 s TYR 84 Cb -0.15 -1.29 1.02 0.00 -0.11 0.00 0.00 41.96 41.42 1k26 s TYR 84 CO 0.09 0.43 2.02 -1.35 -1.11 0.00 0.00 175.55 175.63 1k26 h PRO 85 N 3.49 0.39 -0.09 -1.71 0.11 -2.03 -2.45 132.00 129.70 1k26 h PRO 85 Ca -0.49 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 1k26 h PRO 85 Cb 1.18 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1k26 h PRO 85 CO 0.47 0.26 -0.53 0.93 -0.21 0.00 0.00 178.00 178.92 1k26 h GLU 86 N 0.40 0.53 -2.50 1.05 3.07 -2.01 -3.47 114.58 111.65 1k26 h GLU 86 Ca 0.22 -0.44 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 1k26 h GLU 86 Cb 0.34 0.10 -0.16 0.00 -0.84 0.00 0.00 28.75 28.18 1k26 h GLU 86 CO -0.05 1.07 0.15 -1.83 -1.40 0.00 0.00 179.01 176.95 1k26 s GLU 87 N -3.64 1.11 -0.03 2.33 -1.05 -0.92 -5.15 118.70 111.35 1k26 s GLU 87 Ca -0.13 -0.08 -0.00 0.00 -0.15 0.00 0.00 54.97 54.61 1k26 s GLU 87 Cb 0.06 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1k26 s GLU 87 CO 0.83 -0.40 0.02 0.99 0.95 0.00 0.00 175.26 177.65 1k26 s THR 88 N -2.24 4.35 -0.05 1.83 2.01 -1.26 -0.86 115.64 119.42 1k26 s THR 88 Ca -0.06 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1k26 s THR 88 Cb -0.01 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1k26 s THR 88 CO 0.00 0.45 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.16 1k26 s HIS 89 N -1.04 2.48 -0.28 4.92 3.76 0.54 -4.97 115.29 120.70 1k26 s HIS 89 Ca 0.18 -0.50 -0.06 0.00 -0.15 0.00 0.00 55.06 54.54 1k26 s HIS 89 Cb -0.12 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.99 1k26 s HIS 89 CO 0.08 -0.07 0.05 0.42 -0.85 0.00 0.00 174.74 174.38 1k26 s ILE 90 N -0.41 3.82 -0.21 0.60 -1.09 -1.26 -0.14 121.20 122.50 1k26 s ILE 90 Ca 0.04 -0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 1k26 s ILE 90 Cb -0.12 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 1k26 s ILE 90 CO 0.01 0.15 -0.05 -1.00 -1.23 0.00 0.00 174.94 172.83 1k26 s HIS 91 N 1.49 2.95 -0.63 3.97 3.76 -0.01 -0.51 115.29 126.31 1k26 s HIS 91 Ca 0.03 -0.92 -0.18 0.00 -0.15 0.00 0.00 55.06 53.84 1k26 s HIS 91 Cb -0.17 -2.09 0.12 0.00 1.11 0.00 0.00 32.58 31.55 1k26 s HIS 91 CO 0.01 -0.52 0.72 0.12 -0.85 0.00 0.00 174.74 174.22 1k26 s PHE 92 N 1.39 3.08 -0.46 1.40 5.36 0.28 -0.31 117.98 128.73 1k26 s PHE 92 Ca 0.05 -1.09 -0.19 0.00 -0.96 0.00 0.00 56.93 54.74 1k26 s PHE 92 Cb -0.14 -4.00 0.04 0.00 -0.34 0.00 0.00 43.02 38.57 1k26 s PHE 92 CO -0.03 -1.26 0.55 0.34 -1.46 0.00 0.00 175.22 173.36 1k26 s ASP 93 N 3.53 6.23 -0.62 6.13 -1.08 -0.15 -1.40 116.67 129.32 1k26 s ASP 93 Ca 0.12 -0.71 -0.25 0.00 -0.52 0.00 0.00 52.55 51.19 1k26 s ASP 93 Cb -0.23 -2.27 0.04 0.00 -1.46 0.00 0.00 42.92 39.01 1k26 s ASP 93 CO 0.04 -0.75 1.08 -0.76 0.52 0.00 0.00 175.17 175.30 1k26 s LEU 94 N 2.46 3.80 -0.38 -1.34 1.43 -0.40 -2.01 118.68 122.25 1k26 s LEU 94 Ca 0.15 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1k26 s LEU 94 Cb -0.17 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1k26 s LEU 94 CO 0.14 -1.46 0.46 -0.63 0.23 0.00 0.00 176.35 175.09 1k26 s ILE 95 N 4.59 5.07 -0.07 -0.59 1.01 -0.32 -1.82 121.20 129.06 1k26 s ILE 95 Ca 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 1k26 s ILE 95 Cb -0.11 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1k26 s ILE 95 CO 0.18 -0.27 0.15 -0.31 0.00 0.00 0.00 174.94 174.69 1k26 s TYR 96 N 2.24 3.55 0.20 3.97 1.51 0.15 0.79 117.35 129.76 1k26 s TYR 96 Ca 0.15 0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 56.34 1k26 s TYR 96 Cb -0.16 -1.88 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 1k26 s TYR 96 CO 0.13 0.68 0.96 -1.17 -1.11 0.00 0.00 175.55 175.04 1k26 s LEU 97 N -1.41 4.60 0.17 -1.29 2.96 -1.26 -0.93 118.68 121.52 1k26 s LEU 97 Ca 0.20 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 56.06 1k26 s LEU 97 Cb -0.12 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1k26 s LEU 97 CO 0.10 0.07 -0.03 0.68 -1.32 0.00 0.00 176.35 175.85 1k26 s VAL 98 N -0.81 0.89 0.10 1.68 -7.23 -0.39 -1.05 120.40 113.59 1k26 s VAL 98 Ca 0.43 -2.01 0.08 0.00 -1.81 0.00 0.00 61.98 58.67 1k26 s VAL 98 Cb -0.26 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 1k26 s VAL 98 CO 0.32 -0.55 -0.21 -1.59 -0.31 0.00 0.00 175.10 172.76 1k26 s LYS 99 N -3.85 1.12 0.15 4.82 -2.85 -0.51 -4.53 119.74 114.08 1k26 s LYS 99 Ca 0.22 -1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 53.74 1k26 s LYS 99 Cb 0.05 -1.37 -0.07 0.00 -2.06 0.00 0.00 37.83 34.38 1k26 s LYS 99 CO 0.03 0.32 1.03 0.50 0.10 0.00 0.00 175.35 177.33 1k26 s ARG 100 N -1.87 4.65 0.00 1.78 3.52 -1.26 -1.20 118.95 124.57 1k26 s ARG 100 Ca 0.06 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.24 1k26 s ARG 100 Cb -0.10 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1k26 s ARG 100 CO 0.04 0.16 0.25 1.33 -0.81 0.00 0.00 175.30 176.27 1k26 n VAL 101 N 2.56 0.01 -3.41 7.11 0.24 0.97 -4.90 118.33 120.90 1k26 n VAL 101 Ca 0.02 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1k26 n VAL 101 Cb 0.48 1.50 0.00 0.00 -1.47 0.00 0.00 33.84 34.35 1k26 n VAL 101 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k26 n GLY 102 N -0.00 -0.57 7.00 7.63 0.00 -0.99 -4.97 105.19 113.29 1k26 n GLY 102 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1k26 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k26 n GLY 103 N 0.00 -1.80 3.47 -0.02 0.00 -1.26 -1.32 105.19 104.26 1k26 n GLY 103 Ca 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 1k26 n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k26 s ASP 104 N -4.00 -0.60 0.05 1.61 2.15 -0.55 -4.81 116.67 110.53 1k26 s ASP 104 Ca 0.00 1.14 -0.30 0.00 0.43 0.00 0.00 52.55 53.82 1k26 s ASP 104 Cb 0.00 1.15 -0.09 0.00 -0.30 0.00 0.00 42.92 43.69 1k26 s ASP 104 CO 0.00 -0.20 1.82 -0.22 -0.17 0.00 0.00 175.17 176.40 1k26 s LEU 105 N 0.35 4.39 0.00 -1.34 2.96 -1.26 -3.95 118.68 119.84 1k26 s LEU 105 Ca -0.00 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1k26 s LEU 105 Cb -0.04 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1k26 s LEU 105 CO 0.00 -0.99 0.00 0.29 -1.32 0.00 0.00 176.35 174.33 1k26 n LYS 106 N 6.59 1.70 -3.56 1.98 5.02 0.99 -5.00 118.16 125.88 1k26 n LYS 106 Ca 0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.30 1k26 n LYS 106 Cb 0.40 -0.84 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 1k26 n LYS 106 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1k26 s ASN 107 N -1.56 -0.60 0.00 4.39 3.04 -1.09 -4.99 114.94 114.13 1k26 s ASN 107 Ca 0.00 0.69 0.00 0.00 0.04 0.00 0.00 52.86 53.59 1k26 s ASN 107 Cb 0.00 0.59 0.00 0.00 -1.54 0.00 0.00 41.25 40.30 1k26 s ASN 107 CO 0.00 -0.55 0.00 0.61 -3.04 0.00 0.00 177.10 174.12 1k26 n GLY 108 N 1.12 1.99 2.92 1.21 0.00 -1.26 -4.29 105.19 106.88 1k26 n GLY 108 Ca -0.19 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.60 1k26 n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k26 s GLU 109 N -2.12 0.57 -0.38 1.61 2.02 0.17 -4.98 118.70 115.59 1k26 s GLU 109 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 1k26 s GLU 109 Cb 0.00 -0.59 0.02 0.00 0.10 0.00 0.00 34.13 33.66 1k26 s GLU 109 CO 0.00 0.02 1.10 -1.58 0.02 0.00 0.00 175.26 174.82 1k26 s TRP 110 N 0.40 3.02 -0.27 1.61 0.52 -1.26 -1.79 118.94 121.16 1k26 s TRP 110 Ca -0.05 1.02 -0.10 0.00 0.02 0.00 0.00 56.10 56.99 1k26 s TRP 110 Cb -0.08 -3.97 -0.04 0.00 -1.15 0.00 0.00 33.47 28.23 1k26 s TRP 110 CO -0.00 -0.96 0.15 0.42 0.02 0.00 0.00 176.95 176.57 1k26 s ILE 111 N 3.96 4.98 0.06 2.03 -1.09 -0.04 -4.86 121.20 126.23 1k26 s ILE 111 Ca 0.47 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.63 1k26 s ILE 111 Cb -0.10 -3.37 -0.09 0.00 -1.58 0.00 0.00 42.46 37.32 1k26 s ILE 111 CO 0.21 0.27 1.86 -0.62 -1.23 0.00 0.00 174.94 175.44 1k26 s ASP 112 N 1.71 6.48 0.59 3.58 -1.08 -1.26 -0.86 116.67 125.82 1k26 s ASP 112 Ca 0.07 2.63 0.29 0.00 -0.52 0.00 0.00 52.55 55.02 1k26 s ASP 112 Cb -0.16 -2.54 1.77 0.00 -1.46 0.00 0.00 42.92 40.53 1k26 s ASP 112 CO 0.09 -1.01 2.22 -0.37 0.52 0.00 0.00 175.17 176.61 1k26 h VAL 113 N 5.27 0.52 0.00 1.11 -1.51 -1.53 -0.80 116.25 119.31 1k26 h VAL 113 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1k26 h VAL 113 Cb 1.22 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1k26 h VAL 113 CO 0.94 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.82 1k26 n ARG 114 N -3.85 0.10 0.00 5.19 1.74 -1.26 -2.71 116.66 115.87 1k26 n ARG 114 Ca -0.02 0.37 0.08 0.00 -0.77 0.00 0.00 57.85 57.51 1k26 n ARG 114 Cb 0.14 -1.70 0.02 0.00 -1.02 0.00 0.00 32.46 29.90 1k26 n ARG 114 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1k26 n GLU 115 N -1.89 1.59 0.26 5.56 1.02 -0.31 -4.71 120.64 122.16 1k26 n GLU 115 Ca 0.02 -1.00 0.17 0.00 -0.02 0.00 0.00 57.16 56.34 1k26 n GLU 115 Cb 0.18 -1.28 0.77 0.00 -0.02 0.00 0.00 31.44 31.09 1k26 n GLU 115 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1k26 h ILE 116 N 2.20 0.00 0.00 -3.67 2.10 -1.54 -1.41 117.51 115.18 1k26 h ILE 116 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.62 1k26 h ILE 116 Cb 0.59 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1k26 h ILE 116 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.54 1k26 n ASP 117 N -2.90 0.00 -0.39 2.19 8.00 -1.26 -2.55 116.55 119.65 1k26 n ASP 117 Ca -0.00 -0.09 0.08 0.00 0.71 0.00 0.00 54.79 55.48 1k26 n ASP 117 Cb 0.22 -0.28 0.16 0.00 -0.02 0.00 0.00 41.12 41.20 1k26 n ASP 117 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1k26 n ARG 118 N -1.28 1.31 -5.19 -1.24 -4.01 -0.53 -5.00 116.66 100.71 1k26 n ARG 118 Ca 0.12 -2.82 -0.30 0.00 -1.04 0.00 0.00 57.85 53.82 1k26 n ARG 118 Cb 0.21 -1.45 -0.16 0.00 -3.04 0.00 0.00 32.46 28.02 1k26 n ARG 118 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1k26 s ILE 119 N -2.80 1.94 -0.60 8.89 1.01 -1.06 -5.08 121.20 123.51 1k26 s ILE 119 Ca 0.33 -1.01 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 1k26 s ILE 119 Cb 0.31 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1k26 s ILE 119 CO -0.02 0.54 1.39 -0.70 0.00 0.00 0.00 174.94 176.14 1k26 s GLU 120 N -0.19 3.26 0.22 2.79 2.12 -1.26 -4.97 118.70 120.67 1k26 s GLU 120 Ca -0.02 0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.68 1k26 s GLU 120 Cb -0.13 -4.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 1k26 s GLU 120 CO 0.03 -2.00 0.11 0.95 -0.54 0.00 0.00 175.26 173.81 1k26 s THR 121 N 6.05 4.15 0.64 -1.70 -4.23 -1.26 -1.81 115.64 117.47 1k26 s THR 121 Ca 0.49 -1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 59.40 1k26 s THR 121 Cb -0.10 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 1k26 s THR 121 CO 0.23 -0.25 1.27 0.12 -0.54 0.00 0.00 174.62 175.44 1k26 s PHE 122 N -2.00 2.14 0.36 3.99 5.36 0.39 -4.78 117.98 123.45 1k26 s PHE 122 Ca 0.31 1.50 -0.26 0.00 -0.96 0.00 0.00 56.93 57.52 1k26 s PHE 122 Cb -0.08 -3.63 -0.12 0.00 -0.34 0.00 0.00 43.02 38.85 1k26 s PHE 122 CO 0.22 -2.74 1.03 -2.30 -1.46 0.00 0.00 175.22 169.98 1k26 n PRO 123 N -1.91 1.43 -0.77 10.12 -0.02 -1.26 -2.66 135.00 139.93 1k26 n PRO 123 Ca 0.15 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1k26 n PRO 123 Cb 0.49 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1k26 n PRO 123 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1k26 n ASN 124 N 0.83 -0.37 -0.30 2.55 3.02 -1.26 -4.89 115.26 114.84 1k26 n ASN 124 Ca 0.09 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.61 1k26 n ASN 124 Cb 0.36 -1.33 0.08 0.00 -0.61 0.00 0.00 39.78 38.29 1k26 n ASN 124 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k26 h VAL 125 N 0.00 1.19 -0.31 2.41 2.07 -1.87 -1.59 116.25 118.15 1k26 h VAL 125 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1k26 h VAL 125 Cb 0.04 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1k26 h VAL 125 CO 0.00 0.20 0.09 0.03 0.02 0.00 0.00 177.57 177.90 1k26 h ARG 126 N 1.09 0.49 -0.73 1.57 3.08 -1.90 0.52 114.38 118.50 1k26 h ARG 126 Ca 0.31 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.27 1k26 h ARG 126 Cb -0.09 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1k26 h ARG 126 CO -0.08 0.55 0.47 0.87 -1.07 0.00 0.00 179.97 180.71 1k26 h LYS 127 N 0.34 0.90 -0.60 0.04 1.57 -1.94 -1.65 116.57 115.24 1k26 h LYS 127 Ca 0.10 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1k26 h LYS 127 Cb 0.27 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1k26 h LYS 127 CO -0.00 0.59 0.20 0.28 -0.57 0.00 0.00 179.45 179.96 1k26 h VAL 128 N 0.93 1.24 -0.34 0.50 2.07 -0.94 -1.50 116.25 118.20 1k26 h VAL 128 Ca 0.29 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1k26 h VAL 128 Cb -0.02 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1k26 h VAL 128 CO -0.10 0.30 -0.05 0.58 0.02 0.00 0.00 177.57 178.32 1k26 h VAL 129 N 0.84 1.22 -0.48 2.57 2.07 -0.60 -0.08 116.25 121.80 1k26 h VAL 129 Ca 0.20 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1k26 h VAL 129 Cb 0.26 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1k26 h VAL 129 CO -0.01 0.31 0.14 -1.28 0.02 0.00 0.00 177.57 176.76 1k26 h SER 130 N 0.52 0.70 -0.78 0.57 0.87 -0.96 0.13 113.55 114.60 1k26 h SER 130 Ca 0.10 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1k26 h SER 130 Cb 0.42 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1k26 h SER 130 CO 0.02 0.72 0.44 -0.07 -0.53 0.00 0.00 176.83 177.41 1k26 h LEU 131 N 0.64 0.98 -0.57 2.23 3.38 -0.59 -2.16 115.31 119.22 1k26 h LEU 131 Ca 0.15 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1k26 h LEU 131 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1k26 h LEU 131 CO -0.00 0.78 0.25 0.00 0.09 0.00 0.00 178.44 179.57 1k26 h ALA 132 N 1.38 0.74 -0.60 1.53 0.00 -0.51 -0.48 119.26 121.31 1k26 h ALA 132 Ca 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1k26 h ALA 132 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1k26 h ALA 132 CO -0.05 0.32 0.26 -0.07 0.00 0.00 0.00 179.25 179.71 1k26 h LEU 133 N 0.77 0.81 -0.40 0.00 3.38 -0.62 0.12 115.31 119.38 1k26 h LEU 133 Ca 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1k26 h LEU 133 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1k26 h LEU 133 CO -0.02 0.74 0.09 0.28 0.09 0.00 0.00 178.44 179.63 1k26 h SER 134 N 0.83 0.61 -0.64 -0.43 0.02 -1.20 -1.13 113.55 111.60 1k26 h SER 134 Ca 0.20 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1k26 h SER 134 Cb 0.17 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1k26 h SER 134 CO -0.02 0.68 0.33 0.74 -1.14 0.00 0.00 176.83 177.42 1k26 h THR 135 N 0.50 1.21 -0.20 -2.27 2.02 -0.84 -2.04 112.91 111.29 1k26 h THR 135 Ca 0.12 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 1k26 h THR 135 Cb 0.32 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1k26 h THR 135 CO 0.00 0.24 -0.25 -0.07 0.37 0.00 0.00 175.52 175.81 1k26 h LEU 136 N 0.88 0.37 -0.34 2.58 3.38 -0.57 -0.02 115.31 121.59 1k26 h LEU 136 Ca 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1k26 h LEU 136 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1k26 h LEU 136 CO -0.03 0.63 0.17 0.22 0.09 0.00 0.00 178.44 179.52 1k26 h TYR 137 N 0.34 0.49 -0.48 1.13 3.20 -0.85 0.32 116.97 121.12 1k26 h TYR 137 Ca 0.05 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1k26 h TYR 137 Cb 0.62 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1k26 h TYR 137 CO 0.02 0.42 0.01 0.00 -1.64 0.00 0.00 178.16 176.96 1k26 h ARG 138 N 0.42 0.84 -0.36 1.82 3.08 -0.98 -1.74 114.38 117.46 1k26 h ARG 138 Ca 0.12 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1k26 h ARG 138 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1k26 h ARG 138 CO -0.02 0.88 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.63 1k26 h LEU 139 N 0.70 0.59 -1.17 3.04 3.38 -0.75 -1.83 115.31 119.27 1k26 h LEU 139 Ca 0.14 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1k26 h LEU 139 Cb 0.50 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1k26 h LEU 139 CO 0.02 0.70 -0.10 1.23 0.09 0.00 0.00 178.44 180.39 1k26 h GLY 140 N 0.93 0.49 0.85 0.83 0.00 0.11 -1.35 103.07 104.94 1k26 h GLY 140 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1k26 h GLY 140 CO 0.02 0.30 0.04 0.50 0.00 0.00 0.00 176.54 177.40 1k26 h LYS 141 N 0.43 0.38 -0.72 4.80 1.79 -0.78 -1.95 116.57 120.52 1k26 h LYS 141 Ca 0.08 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1k26 h LYS 141 Cb 0.44 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 1k26 h LYS 141 CO 0.02 0.52 0.33 0.82 -1.08 0.00 0.00 179.45 180.06 1k26 h ILE 142 N 0.19 1.24 -0.01 1.86 2.04 -1.02 -1.52 117.51 120.30 1k26 h ILE 142 Ca 0.07 -0.71 -0.21 0.00 1.00 0.00 0.00 64.86 65.01 1k26 h ILE 142 Cb 0.33 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1k26 h ILE 142 CO 0.00 0.29 -0.88 0.77 0.00 0.00 0.00 178.15 178.34 1k26 h SER 143 N 1.02 0.41 -0.28 1.72 4.64 -1.25 -1.21 113.55 118.60 1k26 h SER 143 Ca 0.25 -0.32 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 1k26 h SER 143 Cb 0.15 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1k26 h SER 143 CO -0.03 1.11 -0.05 0.11 -0.87 0.00 0.00 176.83 177.10 1k26 h LYS 144 N 0.19 0.65 -0.41 4.77 1.57 -1.29 0.15 116.57 122.20 1k26 h LYS 144 Ca -0.06 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1k26 h LYS 144 Cb 1.50 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1k26 h LYS 144 CO 0.15 0.70 -0.14 1.25 -0.57 0.00 0.00 179.45 180.84 1k26 h LEU 145 N 0.60 0.84 -1.04 2.94 5.85 -1.11 0.12 115.31 123.51 1k26 h LEU 145 Ca 0.12 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 1k26 h LEU 145 Cb 0.46 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1k26 h LEU 145 CO 0.02 1.03 -0.16 0.00 -0.34 0.00 0.00 178.44 178.99 1k26 h ALA 146 N 0.84 1.19 -0.04 1.25 0.00 -0.75 -2.14 119.26 119.62 1k26 h ALA 146 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1k26 h ALA 146 Cb 0.68 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1k26 h ALA 146 CO 0.05 0.52 -0.05 0.00 0.00 0.00 0.00 179.25 179.77 1k26 h ALA 147 N 1.37 0.05 -0.67 0.00 0.00 -0.67 -2.85 119.26 116.50 1k26 h ALA 147 Ca 0.08 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 54.90 1k26 h ALA 147 Cb 0.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1k26 h ALA 147 CO 0.04 -0.14 0.52 0.00 0.00 0.00 0.00 179.25 179.67 1k26 h ALA 148 N 0.51 2.58 0.00 0.00 0.00 -0.63 -1.77 119.26 119.94 1k26 h ALA 148 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1k26 h ALA 148 Cb 0.58 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1k26 h ALA 148 CO 0.01 -0.87 -0.23 1.28 0.00 0.00 0.00 179.25 179.43 1k26 n LEU 149 N -4.16 4.61 0.00 0.00 4.77 -0.82 -5.09 117.00 116.31 1k26 n LEU 149 Ca 0.13 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 1k26 n LEU 149 Cb 0.78 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1k26 n LEU 149 CO 0.35 1.34 0.00 1.21 -1.33 0.00 0.00 177.39 178.96