#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 5.04 0.30 1.12 1.01 -1.26 -0.86 121.20 126.55 1k26 s ILE 2 Ca 0.00 1.44 0.03 0.00 0.00 0.00 0.00 60.65 62.12 1k26 s ILE 2 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 1k26 s ILE 2 CO 0.00 0.24 0.07 0.68 0.00 0.00 0.00 174.94 175.93 1k26 s VAL 3 N 0.88 0.94 0.05 2.92 -7.23 -0.61 -1.70 120.40 115.65 1k26 s VAL 3 Ca 0.37 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1k26 s VAL 3 Cb -0.18 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 1k26 s VAL 3 CO 0.18 0.00 0.07 0.28 -0.31 0.00 0.00 175.10 175.31 1k26 s THR 4 N -3.47 0.15 0.04 5.32 -1.32 0.34 -1.46 115.64 115.23 1k26 s THR 4 Ca 0.37 -1.27 0.01 0.00 -1.21 0.00 0.00 61.69 59.59 1k26 s THR 4 Cb 0.08 -1.05 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1k26 s THR 4 CO 0.15 -0.70 -0.05 -0.44 -2.21 0.00 0.00 174.62 171.37 1k26 s SER 5 N -2.36 0.53 -0.11 8.08 0.01 -0.84 -0.83 113.70 118.19 1k26 s SER 5 Ca -0.02 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.63 1k26 s SER 5 Cb 0.01 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1k26 s SER 5 CO -0.06 -0.34 -0.23 -0.83 0.41 0.00 0.00 173.24 172.18 1k26 s GLY 6 N -1.89 1.34 -0.40 3.44 0.00 -0.06 -0.67 107.32 109.08 1k26 s GLY 6 Ca -0.08 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.53 1k26 s GLY 6 CO -0.03 -0.22 0.24 0.14 0.00 0.00 0.00 173.10 173.23 1k26 s VAL 7 N 0.51 4.37 -0.29 1.40 1.01 0.34 -3.92 120.40 123.83 1k26 s VAL 7 Ca -0.15 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 1k26 s VAL 7 Cb -0.17 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1k26 s VAL 7 CO 0.05 -0.39 0.04 -0.22 0.00 0.00 0.00 175.10 174.58 1k26 s LEU 8 N 1.48 3.77 -0.14 3.92 2.96 -1.26 -1.78 118.68 127.63 1k26 s LEU 8 Ca 0.02 -0.90 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 1k26 s LEU 8 Cb -0.21 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1k26 s LEU 8 CO 0.04 -0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.98 1k26 s VAL 9 N 1.40 2.40 -0.02 1.68 1.01 -1.26 -2.20 120.40 123.41 1k26 s VAL 9 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1k26 s VAL 9 Cb -0.18 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1k26 s VAL 9 CO 0.00 0.54 0.04 -1.61 0.00 0.00 0.00 175.10 174.07 1k26 s GLU 10 N 0.67 -0.02 -1.46 2.72 2.02 -0.22 -4.92 118.70 117.50 1k26 s GLU 10 Ca -0.09 0.19 -0.04 0.00 0.02 0.00 0.00 54.97 55.05 1k26 s GLU 10 Cb -0.16 -0.21 0.03 0.00 0.10 0.00 0.00 34.13 33.89 1k26 s GLU 10 CO 0.02 -0.15 0.52 0.09 0.02 0.00 0.00 175.26 175.76 1k26 n ASN 11 N 4.04 -1.08 -0.19 -0.19 3.02 -1.26 -0.89 115.26 118.71 1k26 n ASN 11 Ca -0.26 -0.98 -0.02 0.00 -0.03 0.00 0.00 54.58 53.28 1k26 n ASN 11 Cb 0.52 -3.11 -0.01 0.00 -0.61 0.00 0.00 39.78 36.57 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 -1.86 0.49 3.26 7.41 0.00 -1.26 -5.01 105.19 108.23 1k26 n GLY 12 Ca -0.23 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.40 1.10 -0.05 1.61 1.02 -0.07 -0.50 119.74 121.46 1k26 s LYS 13 Ca 0.00 -1.10 0.06 0.00 0.02 0.00 0.00 55.97 54.94 1k26 s LYS 13 Cb 0.00 -1.31 -0.02 0.00 -0.52 0.00 0.00 37.83 35.98 1k26 s LYS 13 CO 0.00 0.31 -0.23 0.54 -0.92 0.00 0.00 175.35 175.05 1k26 s VAL 14 N -1.14 2.25 -0.42 3.17 0.11 0.80 -1.06 120.40 124.11 1k26 s VAL 14 Ca 0.05 -1.01 -0.26 0.00 -2.93 0.00 0.00 61.98 57.83 1k26 s VAL 14 Cb -0.10 -1.82 0.02 0.00 -1.53 0.00 0.00 36.38 32.95 1k26 s VAL 14 CO 0.04 0.57 0.97 -0.22 -3.33 0.00 0.00 175.10 173.13 1k26 s LEU 15 N -0.32 3.94 0.24 2.54 2.96 -0.93 -0.55 118.68 126.55 1k26 s LEU 15 Ca 0.01 0.42 0.11 0.00 -0.22 0.00 0.00 54.13 54.45 1k26 s LEU 15 Cb -0.13 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 1k26 s LEU 15 CO 0.02 -0.99 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.13 1k26 s LEU 16 N 3.75 2.68 0.25 -0.68 1.43 -0.47 -4.50 118.68 121.14 1k26 s LEU 16 Ca 0.40 -0.88 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1k26 s LEU 16 Cb -0.10 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 1k26 s LEU 16 CO 0.23 0.06 -0.02 0.68 0.23 0.00 0.00 176.35 177.54 1k26 s VAL 17 N -2.16 1.25 -0.08 -1.59 -7.23 -0.27 -0.65 120.40 109.67 1k26 s VAL 17 Ca 0.27 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1k26 s VAL 17 Cb -0.06 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1k26 s VAL 17 CO 0.14 -0.29 0.45 -0.54 -0.31 0.00 0.00 175.10 174.56 1k26 s LYS 18 N -3.82 4.23 0.20 4.82 1.02 -1.26 -0.50 119.74 124.43 1k26 s LYS 18 Ca 0.29 0.44 -0.31 0.00 0.02 0.00 0.00 55.97 56.41 1k26 s LYS 18 Cb 0.05 -3.37 -0.10 0.00 -0.52 0.00 0.00 37.83 33.89 1k26 s LYS 18 CO 0.10 0.32 1.57 -1.58 -0.92 0.00 0.00 175.35 174.84 1k26 s HIS 19 N 0.10 3.00 0.21 3.18 5.65 0.06 -4.88 115.29 122.62 1k26 s HIS 19 Ca 0.25 0.67 -0.13 0.00 0.25 0.00 0.00 55.06 56.10 1k26 s HIS 19 Cb -0.16 -3.95 0.26 0.00 -1.18 0.00 0.00 32.58 27.54 1k26 s HIS 19 CO 0.11 -3.44 1.64 0.87 -0.65 0.00 0.00 174.74 173.27 1k26 h LYS 20 N 6.29 0.03 0.00 2.88 6.56 -1.95 0.80 116.57 131.18 1k26 h LYS 20 Ca -0.44 -0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 58.78 1k26 h LYS 20 Cb 1.21 -0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.79 1k26 h LYS 20 CO 0.88 0.02 -2.38 0.54 -2.06 0.00 0.00 179.45 176.46 1k26 n ARG 21 N -5.38 0.68 0.09 3.15 1.74 -1.26 -4.50 116.66 111.18 1k26 n ARG 21 Ca 0.08 0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.23 1k26 n ARG 21 Cb 0.34 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1k26 n ARG 21 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1k26 h LEU 22 N 0.00 0.00 0.23 0.55 3.38 -1.96 -3.48 115.31 114.03 1k26 h LEU 22 Ca -0.54 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 1k26 h LEU 22 Cb 2.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.84 1k26 h LEU 22 CO -0.00 0.55 -0.09 0.61 0.09 0.00 0.00 178.44 179.60 1k26 n GLY 23 N 1.30 0.67 3.82 0.83 0.00 0.27 -4.95 105.19 107.13 1k26 n GLY 23 Ca -0.03 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1k26 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k26 s VAL 24 N -1.88 4.09 0.23 1.61 -7.23 -1.26 -4.73 120.40 111.23 1k26 s VAL 24 Ca 0.00 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 1k26 s VAL 24 Cb 0.00 -3.30 -0.09 0.00 0.56 0.00 0.00 36.38 33.55 1k26 s VAL 24 CO 0.00 -0.29 1.04 -0.31 -0.31 0.00 0.00 175.10 175.22 1k26 s TYR 25 N -2.20 3.74 0.18 2.82 1.51 0.76 -0.76 117.35 123.40 1k26 s TYR 25 Ca 0.35 1.76 -0.07 0.00 -1.01 0.00 0.00 57.07 58.10 1k26 s TYR 25 Cb -0.07 -3.16 -0.02 0.00 -0.11 0.00 0.00 41.96 38.60 1k26 s TYR 25 CO 0.25 -0.17 0.26 0.96 -1.11 0.00 0.00 175.55 175.74 1k26 s ILE 26 N -0.89 0.05 0.44 2.71 -4.36 0.35 -0.85 121.20 118.65 1k26 s ILE 26 Ca 0.44 -1.58 -0.23 0.00 -0.26 0.00 0.00 60.65 59.03 1k26 s ILE 26 Cb -0.29 -2.05 -0.08 0.00 1.25 0.00 0.00 42.46 41.29 1k26 s ILE 26 CO 0.36 -0.22 1.11 -0.31 0.24 0.00 0.00 174.94 176.12 1k26 s TYR 27 N -4.02 3.03 0.54 1.37 1.51 -1.26 -1.11 117.35 117.41 1k26 s TYR 27 Ca 0.23 1.58 -0.22 0.00 -1.01 0.00 0.00 57.07 57.65 1k26 s TYR 27 Cb 0.04 -3.26 -0.05 0.00 -0.11 0.00 0.00 41.96 38.59 1k26 s TYR 27 CO 0.04 -1.12 1.33 -2.14 -1.11 0.00 0.00 175.55 172.55 1k26 s PRO 28 N -2.69 3.17 0.00 -1.71 0.02 -1.25 -4.75 135.00 127.78 1k26 s PRO 28 Ca 0.62 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1k26 s PRO 28 Cb -0.25 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.03 1k26 s PRO 28 CO 0.30 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 1k26 n GLY 29 N 0.70 -0.82 0.00 0.52 0.00 -1.26 -0.88 105.19 103.45 1k26 n GLY 29 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.70 3.77 -0.02 0.00 -0.01 -4.90 105.19 102.33 1k26 n GLY 30 Ca 0.00 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.76 3.04 -0.25 1.61 3.76 -1.26 -0.51 115.29 118.92 1k26 s HIS 31 Ca 0.00 1.50 -0.24 0.00 -0.15 0.00 0.00 55.06 56.17 1k26 s HIS 31 Cb 0.00 -3.52 -0.01 0.00 1.11 0.00 0.00 32.58 30.16 1k26 s HIS 31 CO 0.00 -1.59 0.81 0.08 -0.85 0.00 0.00 174.74 173.19 1k26 s VAL 32 N -1.29 4.85 0.85 -0.90 1.01 -0.69 -4.84 120.40 119.39 1k26 s VAL 32 Ca 0.54 1.49 -0.11 0.00 0.00 0.00 0.00 61.98 63.91 1k26 s VAL 32 Cb -0.35 -4.10 0.10 0.00 0.00 0.00 0.00 36.38 32.04 1k26 s VAL 32 CO 0.45 -0.08 1.14 -1.61 0.00 0.00 0.00 175.10 175.00 1k26 s GLU 33 N 2.82 1.53 0.46 2.72 2.02 -1.26 -4.89 118.70 122.09 1k26 s GLU 33 Ca 0.34 1.48 0.15 0.00 0.02 0.00 0.00 54.97 56.96 1k26 s GLU 33 Cb -0.15 -1.79 1.04 0.00 0.10 0.00 0.00 34.13 33.33 1k26 s GLU 33 CO 0.08 -2.24 2.01 0.45 0.02 0.00 0.00 175.26 175.57 1k26 h HIS 34 N -1.42 0.00 -0.48 1.61 3.86 -2.00 -2.98 115.15 113.74 1k26 h HIS 34 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1k26 h HIS 34 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1k26 h HIS 34 CO 0.52 0.17 0.00 0.27 0.86 0.00 0.00 177.93 179.74 1k26 n ASN 35 N -4.32 4.06 -4.11 2.45 6.94 -1.26 -4.95 115.26 114.07 1k26 n ASN 35 Ca -0.02 -2.46 -0.08 0.00 -0.02 0.00 0.00 54.58 51.99 1k26 n ASN 35 Cb 0.23 -0.55 -0.10 0.00 -2.36 0.00 0.00 39.78 37.00 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 -1.96 0.68 0.54 -3.83 -1.05 -1.13 -5.13 118.70 106.82 1k26 s GLU 36 Ca 0.40 -1.26 -0.05 0.00 -0.15 0.00 0.00 54.97 53.91 1k26 s GLU 36 Cb 0.28 0.11 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1k26 s GLU 36 CO 0.17 -0.10 0.84 0.95 0.95 0.00 0.00 175.26 178.07 1k26 s THR 37 N -3.86 4.11 0.43 1.83 -4.23 -1.26 -4.68 115.64 107.98 1k26 s THR 37 Ca 0.09 0.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.70 1k26 s THR 37 Cb 0.07 -3.59 0.27 0.00 1.34 0.00 0.00 72.50 70.59 1k26 s THR 37 CO -0.08 -0.58 2.07 -0.65 -0.54 0.00 0.00 174.62 174.84 1k26 h PRO 38 N 0.02 0.45 -0.03 3.99 0.11 -1.98 0.53 132.00 135.08 1k26 h PRO 38 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1k26 h PRO 38 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1k26 h PRO 38 CO 0.61 0.30 0.01 0.82 -0.21 0.00 0.00 178.00 179.53 1k26 h ILE 39 N 0.46 1.16 -0.73 4.15 1.08 -2.00 -0.99 117.51 120.63 1k26 h ILE 39 Ca 0.12 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1k26 h ILE 39 Cb -0.05 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1k26 h ILE 39 CO -0.03 0.12 0.39 -0.33 -0.69 0.00 0.00 178.15 177.62 1k26 h GLU 40 N -0.13 1.02 -0.63 2.37 5.08 -1.83 -2.75 114.58 117.70 1k26 h GLU 40 Ca 0.01 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1k26 h GLU 40 Cb 0.19 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1k26 h GLU 40 CO -0.00 0.77 0.39 0.00 -1.00 0.00 0.00 179.01 179.17 1k26 h ALA 41 N 1.20 0.81 -0.16 3.43 0.00 -0.72 -0.44 119.26 123.37 1k26 h ALA 41 Ca 0.26 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1k26 h ALA 41 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1k26 h ALA 41 CO -0.04 0.27 -0.43 -0.24 0.00 0.00 0.00 179.25 178.82 1k26 h VAL 42 N 0.86 1.31 -0.19 0.00 3.04 -1.06 0.37 116.25 120.59 1k26 h VAL 42 Ca 0.23 -1.59 -0.06 0.00 -1.01 0.00 0.00 66.70 64.27 1k26 h VAL 42 Cb -0.04 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1k26 h VAL 42 CO -0.04 0.48 -0.13 0.11 -1.01 0.00 0.00 177.57 176.98 1k26 h LYS 43 N 0.30 0.41 0.21 4.17 1.57 -1.30 -1.08 116.57 120.86 1k26 h LYS 43 Ca 0.02 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1k26 h LYS 43 Cb 0.88 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1k26 h LYS 43 CO 0.07 0.74 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.48 1k26 h ARG 44 N 0.09 -0.31 -0.56 3.15 2.43 -0.86 -2.31 114.38 116.00 1k26 h ARG 44 Ca 0.04 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1k26 h ARG 44 Cb 0.64 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1k26 h ARG 44 CO 0.03 -0.21 0.06 0.93 -1.51 0.00 0.00 179.97 179.28 1k26 h GLU 45 N -0.32 0.91 -0.24 0.20 5.08 -0.95 -1.19 114.58 118.07 1k26 h GLU 45 Ca -0.02 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1k26 h GLU 45 Cb 0.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1k26 h GLU 45 CO 0.02 0.87 0.11 0.35 -1.00 0.00 0.00 179.01 179.37 1k26 h PHE 46 N 0.86 0.35 -0.23 4.33 3.57 -1.11 -0.68 116.94 124.02 1k26 h PHE 46 Ca 0.17 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1k26 h PHE 46 Cb 0.42 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1k26 h PHE 46 CO 0.03 0.34 0.06 1.49 -2.23 0.00 0.00 178.31 177.99 1k26 h GLU 47 N 0.26 0.37 -0.82 1.11 4.81 -1.23 0.10 114.58 119.18 1k26 h GLU 47 Ca 0.08 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1k26 h GLU 47 Cb 0.12 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1k26 h GLU 47 CO -0.01 0.48 0.42 0.93 -0.73 0.00 0.00 179.01 180.10 1k26 h GLU 48 N 0.20 1.17 0.00 1.92 5.08 -1.15 0.75 114.58 122.54 1k26 h GLU 48 Ca 0.07 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1k26 h GLU 48 Cb 0.27 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1k26 h GLU 48 CO 0.00 0.88 -0.42 0.93 -1.00 0.00 0.00 179.01 179.40 1k26 h GLU 49 N 1.16 0.00 0.00 2.33 5.08 -0.97 -3.40 114.58 118.79 1k26 h GLU 49 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1k26 h GLU 49 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1k26 h GLU 49 CO -0.04 0.23 -0.54 0.25 -1.00 0.00 0.00 179.01 177.91 1k26 n THR 50 N -3.09 0.00 -0.15 1.13 -2.24 0.01 -4.45 114.28 105.49 1k26 n THR 50 Ca 0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1k26 n THR 50 Cb 0.64 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.44 1.46 3.77 3.38 0.00 0.26 0.13 105.19 115.62 1k26 n GLY 51 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 5.01 -0.12 -0.61 -1.09 -1.25 -1.62 121.20 118.80 1k26 s ILE 52 Ca 0.00 1.05 -0.13 0.00 -2.23 0.00 0.00 60.65 59.34 1k26 s ILE 52 Cb 0.00 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 1k26 s ILE 52 CO 0.00 0.43 0.30 -0.69 -1.23 0.00 0.00 174.94 173.76 1k26 s VAL 53 N -0.19 5.27 0.22 2.92 1.01 -0.02 -3.02 120.40 126.60 1k26 s VAL 53 Ca 0.27 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1k26 s VAL 53 Cb -0.17 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1k26 s VAL 53 CO 0.14 0.46 0.09 0.68 0.00 0.00 0.00 175.10 176.47 1k26 s VAL 54 N -0.04 0.40 -0.05 2.92 -7.23 -1.26 -0.89 120.40 114.26 1k26 s VAL 54 Ca 0.18 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1k26 s VAL 54 Cb -0.14 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1k26 s VAL 54 CO 0.06 -0.10 -0.08 -0.70 -0.31 0.00 0.00 175.10 173.97 1k26 s GLU 55 N -4.05 1.12 0.36 4.82 2.56 0.20 -4.83 118.70 118.88 1k26 s GLU 55 Ca 0.35 -0.25 -0.27 0.00 0.00 0.00 0.00 54.97 54.81 1k26 s GLU 55 Cb 0.07 -1.01 -0.09 0.00 2.00 0.00 0.00 34.13 35.10 1k26 s GLU 55 CO 0.11 0.00 1.23 -2.14 -0.56 0.00 0.00 175.26 173.90 1k26 s PRO 56 N 0.65 4.22 0.29 4.30 0.02 -1.26 -1.07 135.00 142.14 1k26 s PRO 56 Ca -0.11 2.02 0.03 0.00 0.02 0.00 0.00 61.00 62.97 1k26 s PRO 56 Cb -0.13 -2.89 -0.06 0.00 0.02 0.00 0.00 34.50 31.44 1k26 s PRO 56 CO 0.01 -0.24 0.05 0.96 -0.33 0.00 0.00 177.00 177.46 1k26 s ILE 57 N -1.26 1.04 -5.00 2.83 -4.36 -0.18 -4.89 121.20 109.38 1k26 s ILE 57 Ca 0.53 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1k26 s ILE 57 Cb -0.35 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.69 1k26 s ILE 57 CO 0.46 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 176.17 1k26 n GLY 58 N -0.58 -0.31 3.75 6.27 0.00 -1.26 -4.18 105.19 108.88 1k26 n GLY 58 Ca -0.02 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.09 3.36 -0.02 1.61 5.36 -1.26 -4.69 117.98 120.25 1k26 s PHE 59 Ca 0.00 1.48 -0.09 0.00 -0.96 0.00 0.00 56.93 57.36 1k26 s PHE 59 Cb 0.00 -3.47 0.01 0.00 -0.34 0.00 0.00 43.02 39.22 1k26 s PHE 59 CO 0.00 -1.25 0.19 0.95 -1.46 0.00 0.00 175.22 173.65 1k26 s THR 60 N -0.68 0.06 0.02 0.12 -4.23 -1.26 -1.48 115.64 108.18 1k26 s THR 60 Ca 0.50 -0.48 0.19 0.00 -1.18 0.00 0.00 61.69 60.72 1k26 s THR 60 Cb -0.35 -0.44 0.14 0.00 1.34 0.00 0.00 72.50 73.19 1k26 s THR 60 CO 0.43 -0.26 1.65 1.88 -0.54 0.00 0.00 174.62 177.77 1k26 h TYR 61 N 4.55 0.00 0.00 3.99 -1.99 -1.96 -3.47 116.97 118.08 1k26 h TYR 61 Ca -0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1k26 h TYR 61 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1k26 h TYR 61 CO 0.53 0.37 0.00 0.41 -0.00 0.00 0.00 178.16 179.47 1k26 n GLY 62 N 0.61 1.36 3.71 3.88 0.00 -1.26 -5.09 105.19 108.41 1k26 n GLY 62 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.02 -0.29 -0.61 1.01 -1.26 -4.98 121.20 117.10 1k26 s ILE 63 Ca 0.00 1.47 -0.14 0.00 0.00 0.00 0.00 60.65 61.98 1k26 s ILE 63 Cb 0.00 -3.94 0.11 0.00 0.01 0.00 0.00 42.46 38.64 1k26 s ILE 63 CO 0.00 0.12 0.73 -0.51 0.00 0.00 0.00 174.94 175.29 1k26 s ILE 64 N 0.98 -0.43 0.19 2.92 2.07 -1.26 -1.05 121.20 124.61 1k26 s ILE 64 Ca 0.58 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1k26 s ILE 64 Cb -0.29 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.30 1k26 s ILE 64 CO 0.30 0.00 0.24 -0.90 -1.91 0.00 0.00 174.94 172.66 1k26 n ASP 65 N 4.75 -0.65 0.15 4.50 5.75 -0.72 -5.01 116.55 125.32 1k26 n ASP 65 Ca -0.16 -2.05 0.12 0.00 -0.01 0.00 0.00 54.79 52.69 1k26 n ASP 65 Cb 0.54 1.26 0.56 0.00 -1.03 0.00 0.00 41.12 42.45 1k26 n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k26 n GLU 66 N -0.32 0.17 0.00 0.11 4.71 -1.26 -3.00 120.64 121.05 1k26 n GLU 66 Ca 0.01 0.54 0.06 0.00 -0.01 0.00 0.00 57.16 57.76 1k26 n GLU 66 Cb 0.32 -1.94 -0.07 0.00 -1.01 0.00 0.00 31.44 28.74 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 -2.29 0.61 -3.52 1.62 3.02 -1.26 -5.05 115.26 108.38 1k26 n ASN 67 Ca 0.00 -0.80 -0.08 0.00 -0.03 0.00 0.00 54.58 53.67 1k26 n ASN 67 Cb 0.13 0.98 -0.02 0.00 -0.61 0.00 0.00 39.78 40.26 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 -2.12 -1.83 -0.04 5.41 0.00 -1.16 -5.15 121.76 116.87 1k26 s ALA 68 Ca 0.05 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1k26 s ALA 68 Cb 0.09 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.62 1k26 s ALA 68 CO 0.49 -0.70 -0.05 0.54 0.00 0.00 0.00 175.76 176.04 1k26 s VAL 69 N -3.08 0.51 0.31 0.00 0.11 -1.26 -1.76 120.40 115.23 1k26 s VAL 69 Ca 0.06 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.68 1k26 s VAL 69 Cb -0.01 -0.52 -0.10 0.00 -1.53 0.00 0.00 36.38 34.22 1k26 s VAL 69 CO -0.08 0.21 1.21 -0.70 -3.33 0.00 0.00 175.10 172.40 1k26 s GLU 70 N 0.72 4.49 0.09 1.54 2.12 -0.22 -5.02 118.70 122.42 1k26 s GLU 70 Ca -0.09 2.02 0.05 0.00 0.36 0.00 0.00 54.97 57.31 1k26 s GLU 70 Cb -0.13 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1k26 s GLU 70 CO 0.00 0.00 -0.04 1.03 -0.54 0.00 0.00 175.26 175.71 1k26 s ARG 71 N -1.61 2.41 0.44 4.30 1.81 -1.26 -4.94 118.95 120.09 1k26 s ARG 71 Ca 0.47 -0.89 -0.26 0.00 -1.72 0.00 0.00 55.73 53.33 1k26 s ARG 71 Cb -0.36 -2.46 -0.09 0.00 -0.45 0.00 0.00 34.95 31.59 1k26 s ARG 71 CO 0.47 0.53 1.42 -0.35 -0.68 0.00 0.00 175.30 176.69 1k26 n PRO 72 N 0.69 2.26 -2.17 3.54 -0.04 -1.26 -4.87 135.00 133.14 1k26 n PRO 72 Ca -0.12 0.80 -0.40 0.00 -0.04 0.00 0.00 63.50 63.74 1k26 n PRO 72 Cb 0.52 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 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 -2.37 4.25 0.78 0.54 -1.94 -0.55 -4.92 119.30 115.10 1k26 s MET 73 Ca 0.60 2.09 -0.13 0.00 -1.71 0.00 0.00 55.69 56.54 1k26 s MET 73 Cb -0.46 -2.95 0.07 0.00 2.01 0.00 0.00 34.83 33.49 1k26 s MET 73 CO 0.58 -0.23 1.17 -2.14 -0.01 0.00 0.00 175.02 174.39 1k26 s PRO 74 N -1.93 1.92 0.20 2.03 0.02 -1.26 -4.42 135.00 131.55 1k26 s PRO 74 Ca 0.51 1.59 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 1k26 s PRO 74 Cb -0.37 -1.83 0.13 0.00 0.02 0.00 0.00 34.50 32.46 1k26 s PRO 74 CO 0.48 -1.96 1.80 1.25 -0.33 0.00 0.00 177.00 178.24 1k26 h LEU 75 N -0.79 0.94 -7.00 -5.54 5.85 -0.62 -3.46 115.31 104.69 1k26 h LEU 75 Ca -0.46 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 1k26 h LEU 75 Cb 1.27 -0.24 -0.16 0.00 0.37 0.00 0.00 40.66 41.90 1k26 h LEU 75 CO 0.48 0.80 0.25 0.54 -0.34 0.00 0.00 178.44 180.17 1k26 s VAL 76 N -5.74 0.00 -0.20 1.05 0.11 -1.12 -5.05 120.40 109.45 1k26 s VAL 76 Ca -0.13 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1k26 s VAL 76 Cb 0.15 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1k26 s VAL 76 CO 0.81 0.00 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.83 1k26 s ILE 77 N -2.50 1.78 -0.10 7.04 1.01 -1.26 -1.86 121.20 125.32 1k26 s ILE 77 Ca -0.04 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.55 1k26 s ILE 77 Cb -0.01 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1k26 s ILE 77 CO -0.03 0.20 -0.20 -0.76 0.00 0.00 0.00 174.94 174.15 1k26 s LEU 78 N 1.34 2.33 -0.43 2.97 1.43 -0.94 -4.95 118.68 120.44 1k26 s LEU 78 Ca -0.01 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 1k26 s LEU 78 Cb -0.16 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1k26 s LEU 78 CO -0.08 0.19 0.53 -0.70 0.23 0.00 0.00 176.35 176.52 1k26 s GLU 79 N 0.20 3.21 0.03 1.70 2.12 -1.26 -0.88 118.70 123.82 1k26 s GLU 79 Ca -0.12 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.69 1k26 s GLU 79 Cb -0.16 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 1k26 s GLU 79 CO 0.07 -0.91 -0.03 -1.21 -0.54 0.00 0.00 175.26 172.64 1k26 s GLU 80 N 2.46 2.61 -0.16 4.30 2.02 0.12 -4.91 118.70 125.13 1k26 s GLU 80 Ca 0.17 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.34 1k26 s GLU 80 Cb -0.16 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 1k26 s GLU 80 CO 0.16 0.59 0.14 0.08 0.02 0.00 0.00 175.26 176.25 1k26 s VAL 81 N -1.13 5.44 -0.12 2.63 1.01 -1.26 0.11 120.40 127.08 1k26 s VAL 81 Ca 0.21 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 1k26 s VAL 81 Cb -0.11 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1k26 s VAL 81 CO 0.12 0.51 -0.09 -0.69 0.00 0.00 0.00 175.10 174.95 1k26 s VAL 82 N -0.22 1.16 -0.33 2.92 1.01 0.02 -4.98 120.40 119.98 1k26 s VAL 82 Ca 0.11 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1k26 s VAL 82 Cb -0.12 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1k26 s VAL 82 CO 0.01 0.39 0.17 -0.75 0.00 0.00 0.00 175.10 174.92 1k26 s LYS 83 N 1.65 3.14 0.30 2.72 2.20 -1.26 0.37 119.74 128.86 1k26 s LYS 83 Ca 0.05 -0.86 0.07 0.00 -0.36 0.00 0.00 55.97 54.87 1k26 s LYS 83 Cb -0.13 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1k26 s LYS 83 CO -0.09 -0.52 0.31 0.71 -0.36 0.00 0.00 175.35 175.40 1k26 s TYR 84 N 1.59 3.05 0.29 4.03 4.12 -0.40 -5.00 117.35 125.03 1k26 s TYR 84 Ca 0.04 -0.21 -0.01 0.00 0.02 0.00 0.00 57.07 56.90 1k26 s TYR 84 Cb -0.18 -1.71 0.43 0.00 -1.52 0.00 0.00 41.96 38.98 1k26 s TYR 84 CO 0.06 0.26 1.89 -1.00 0.02 0.00 0.00 175.55 176.78 1k26 h PRO 85 N 1.23 0.93 0.00 -1.71 0.13 -2.04 -2.97 132.00 127.58 1k26 h PRO 85 Ca -0.47 -0.13 -0.15 0.00 -0.87 0.00 0.00 66.00 64.39 1k26 h PRO 85 Cb 1.25 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1k26 h PRO 85 CO 0.58 0.73 -0.70 1.05 -0.23 0.00 0.00 178.00 179.43 1k26 h GLU 86 N 0.93 0.00 -1.75 0.86 9.09 -2.02 -3.48 114.58 118.21 1k26 h GLU 86 Ca 0.23 0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.82 1k26 h GLU 86 Cb 0.11 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 27.03 1k26 h GLU 86 CO -0.03 0.70 0.68 -1.83 0.05 0.00 0.00 179.01 178.58 1k26 s GLU 87 N -3.00 0.50 -0.20 1.06 -1.05 -1.12 -5.14 118.70 109.75 1k26 s GLU 87 Ca 0.02 -0.15 -0.10 0.00 -0.15 0.00 0.00 54.97 54.59 1k26 s GLU 87 Cb 0.09 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 1k26 s GLU 87 CO 0.77 -0.21 0.12 0.99 0.95 0.00 0.00 175.26 177.88 1k26 s THR 88 N -2.50 5.31 0.11 1.83 2.01 -1.26 -1.28 115.64 119.86 1k26 s THR 88 Ca 0.07 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.26 1k26 s THR 88 Cb -0.01 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1k26 s THR 88 CO -0.06 0.43 0.10 -1.00 -0.69 0.00 0.00 174.62 173.40 1k26 s HIS 89 N 0.45 3.17 -0.19 4.92 0.09 0.16 -4.94 115.29 118.95 1k26 s HIS 89 Ca 0.07 0.04 -0.03 0.00 -0.00 0.00 0.00 55.06 55.15 1k26 s HIS 89 Cb -0.11 -1.58 -0.01 0.00 -0.00 0.00 0.00 32.58 30.87 1k26 s HIS 89 CO -0.01 0.52 -0.07 0.42 -0.00 0.00 0.00 174.74 175.60 1k26 s ILE 90 N -1.51 3.24 -0.26 0.60 -1.09 -1.26 -0.80 121.20 120.12 1k26 s ILE 90 Ca 0.30 -0.55 -0.08 0.00 -2.23 0.00 0.00 60.65 58.09 1k26 s ILE 90 Cb -0.11 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1k26 s ILE 90 CO 0.22 0.46 0.08 -1.00 -1.23 0.00 0.00 174.94 173.47 1k26 s HIS 91 N 1.15 3.10 -0.63 3.97 3.76 0.12 -2.23 115.29 124.52 1k26 s HIS 91 Ca 0.02 -0.53 -0.21 0.00 -0.15 0.00 0.00 55.06 54.19 1k26 s HIS 91 Cb -0.14 -2.25 0.09 0.00 1.11 0.00 0.00 32.58 31.38 1k26 s HIS 91 CO -0.02 -0.41 0.84 0.12 -0.85 0.00 0.00 174.74 174.42 1k26 s PHE 92 N 1.60 2.85 -0.41 1.40 5.36 -0.04 0.12 117.98 128.86 1k26 s PHE 92 Ca 0.06 -0.78 -0.16 0.00 -0.96 0.00 0.00 56.93 55.08 1k26 s PHE 92 Cb -0.16 -4.15 0.02 0.00 -0.34 0.00 0.00 43.02 38.39 1k26 s PHE 92 CO 0.04 -1.47 0.38 0.34 -1.46 0.00 0.00 175.22 173.05 1k26 s ASP 93 N 3.65 6.16 -0.58 6.13 -1.08 -0.06 -1.57 116.67 129.32 1k26 s ASP 93 Ca 0.17 -0.72 -0.23 0.00 -0.52 0.00 0.00 52.55 51.25 1k26 s ASP 93 Cb -0.20 -2.20 0.05 0.00 -1.46 0.00 0.00 42.92 39.11 1k26 s ASP 93 CO 0.08 -0.51 0.92 -0.76 0.52 0.00 0.00 175.17 175.42 1k26 s LEU 94 N 1.96 4.26 -0.31 -1.34 1.43 -0.54 -2.20 118.68 121.94 1k26 s LEU 94 Ca 0.09 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 1k26 s LEU 94 Cb -0.18 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1k26 s LEU 94 CO 0.12 -1.26 0.42 -0.63 0.23 0.00 0.00 176.35 175.23 1k26 s ILE 95 N 3.87 5.12 -0.08 -0.59 1.01 -0.77 -1.98 121.20 127.77 1k26 s ILE 95 Ca 0.26 0.37 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 1k26 s ILE 95 Cb -0.14 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1k26 s ILE 95 CO 0.16 -0.03 -0.03 -0.31 0.00 0.00 0.00 174.94 174.73 1k26 s TYR 96 N 2.17 3.06 0.22 3.97 1.51 0.16 0.15 117.35 128.59 1k26 s TYR 96 Ca 0.16 0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.01 1k26 s TYR 96 Cb -0.16 -1.77 -0.08 0.00 -0.11 0.00 0.00 41.96 39.84 1k26 s TYR 96 CO 0.11 0.38 1.06 -1.17 -1.11 0.00 0.00 175.55 174.83 1k26 s LEU 97 N -0.77 4.54 0.26 -1.29 2.96 -1.26 -0.50 118.68 122.62 1k26 s LEU 97 Ca 0.12 2.10 0.04 0.00 -0.22 0.00 0.00 54.13 56.17 1k26 s LEU 97 Cb -0.11 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1k26 s LEU 97 CO 0.02 -0.12 0.01 0.68 -1.32 0.00 0.00 176.35 175.62 1k26 s VAL 98 N -0.67 1.12 0.10 1.68 -7.23 -0.74 -1.01 120.40 113.65 1k26 s VAL 98 Ca 0.46 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 1k26 s VAL 98 Cb -0.29 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 1k26 s VAL 98 CO 0.36 -0.22 -0.15 -1.59 -0.31 0.00 0.00 175.10 173.20 1k26 s LYS 99 N -3.86 0.94 0.07 4.82 -2.85 -0.23 -4.57 119.74 114.05 1k26 s LYS 99 Ca 0.31 -1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 1k26 s LYS 99 Cb 0.06 -0.91 -0.05 0.00 -2.06 0.00 0.00 37.83 34.87 1k26 s LYS 99 CO 0.11 0.19 0.95 0.50 0.10 0.00 0.00 175.35 177.20 1k26 s ARG 100 N -2.19 4.64 0.00 1.78 3.52 -1.26 -0.63 118.95 124.81 1k26 s ARG 100 Ca 0.04 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.05 1k26 s ARG 100 Cb -0.08 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1k26 s ARG 100 CO 0.03 0.14 0.23 1.33 -0.81 0.00 0.00 175.30 176.21 1k26 n VAL 101 N 3.14 0.00 -3.46 7.11 0.24 -0.06 -4.90 118.33 120.39 1k26 n VAL 101 Ca 0.03 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1k26 n VAL 101 Cb 0.50 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 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 0.23 -0.85 4.76 7.63 0.00 -1.00 -4.98 105.19 110.99 1k26 n GLY 102 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.90 3.13 -0.02 0.00 -1.26 -0.84 105.19 104.30 1k26 n GLY 103 Ca 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 1k26 n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k26 s ASP 104 N -3.84 -0.16 0.12 1.61 1.11 -0.64 -4.79 116.67 110.08 1k26 s ASP 104 Ca 0.00 0.21 -0.31 0.00 0.18 0.00 0.00 52.55 52.63 1k26 s ASP 104 Cb 0.00 0.37 -0.10 0.00 1.07 0.00 0.00 42.92 44.26 1k26 s ASP 104 CO 0.00 -0.22 1.83 -0.22 1.18 0.00 0.00 175.17 177.74 1k26 s LEU 105 N -0.53 4.40 0.00 1.23 2.96 -1.26 -3.87 118.68 121.61 1k26 s LEU 105 Ca -0.06 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1k26 s LEU 105 Cb -0.04 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1k26 s LEU 105 CO 0.01 -1.00 0.00 0.29 -1.32 0.00 0.00 176.35 174.33 1k26 n LYS 106 N 5.75 2.93 -3.57 1.98 5.02 0.12 -4.99 118.16 125.40 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 0.38 -0.65 -0.07 0.00 -0.02 0.00 0.00 35.03 34.67 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 -1.06 -0.56 0.00 4.39 3.04 -1.13 -5.00 114.94 114.62 1k26 s ASN 107 Ca 0.00 0.59 0.00 0.00 0.04 0.00 0.00 52.86 53.49 1k26 s ASN 107 Cb 0.00 0.50 0.00 0.00 -1.54 0.00 0.00 41.25 40.21 1k26 s ASN 107 CO 0.00 -0.57 0.00 0.61 -3.04 0.00 0.00 177.10 174.10 1k26 n GLY 108 N 1.02 1.95 2.96 1.21 0.00 -1.26 -4.38 105.19 106.69 1k26 n GLY 108 Ca -0.19 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.22 0.64 -0.37 1.61 2.02 0.18 -4.97 118.70 115.58 1k26 s GLU 109 Ca 0.00 -0.21 -0.27 0.00 0.02 0.00 0.00 54.97 54.51 1k26 s GLU 109 Cb 0.00 -0.63 0.02 0.00 0.10 0.00 0.00 34.13 33.62 1k26 s GLU 109 CO 0.00 0.09 0.97 -1.58 0.02 0.00 0.00 175.26 174.76 1k26 s TRP 110 N 0.12 3.06 -0.20 1.61 0.52 -1.26 -1.37 118.94 121.41 1k26 s TRP 110 Ca -0.01 0.82 -0.07 0.00 0.02 0.00 0.00 56.10 56.85 1k26 s TRP 110 Cb -0.06 -3.73 -0.04 0.00 -1.15 0.00 0.00 33.47 28.49 1k26 s TRP 110 CO -0.00 -0.86 0.07 0.42 0.02 0.00 0.00 176.95 176.59 1k26 s ILE 111 N 3.59 4.65 0.18 2.03 -1.09 0.29 -4.85 121.20 126.00 1k26 s ILE 111 Ca 0.40 -0.07 -0.32 0.00 -2.23 0.00 0.00 60.65 58.43 1k26 s ILE 111 Cb -0.11 -3.12 -0.11 0.00 -1.58 0.00 0.00 42.46 37.53 1k26 s ILE 111 CO 0.20 0.41 1.77 -0.62 -1.23 0.00 0.00 174.94 175.47 1k26 s ASP 112 N 0.79 6.39 0.10 3.58 -1.08 -1.26 -0.14 116.67 125.04 1k26 s ASP 112 Ca 0.04 2.84 0.10 0.00 -0.52 0.00 0.00 52.55 55.00 1k26 s ASP 112 Cb -0.13 -2.59 0.48 0.00 -1.46 0.00 0.00 42.92 39.22 1k26 s ASP 112 CO 0.02 -0.99 1.31 1.33 0.52 0.00 0.00 175.17 177.36 1k26 n VAL 113 N 4.29 1.48 1.01 1.11 0.24 0.35 -1.10 118.33 125.71 1k26 n VAL 113 Ca 0.17 0.48 0.11 0.00 -2.04 0.00 0.00 64.34 63.06 1k26 n VAL 113 Cb 0.36 -1.43 -0.02 0.00 -1.47 0.00 0.00 33.84 31.29 1k26 n VAL 113 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1k26 n ARG 114 N -1.74 0.77 -0.66 7.34 1.85 -1.26 -4.21 116.66 118.75 1k26 n ARG 114 Ca 0.01 -0.63 0.00 0.00 -1.00 0.00 0.00 57.85 56.23 1k26 n ARG 114 Cb 0.06 -1.49 0.21 0.00 -1.05 0.00 0.00 32.46 30.19 1k26 n ARG 114 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1k26 n GLU 115 N -0.57 1.99 0.23 2.89 1.02 -0.26 -4.64 120.64 121.30 1k26 n GLU 115 Ca 0.08 -3.08 0.10 0.00 -0.02 0.00 0.00 57.16 54.24 1k26 n GLU 115 Cb 0.42 -1.78 0.51 0.00 -0.02 0.00 0.00 31.44 30.56 1k26 n GLU 115 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1k26 h ILE 116 N 1.08 0.55 0.00 -3.67 2.04 -1.72 -2.82 117.51 112.97 1k26 h ILE 116 Ca 0.14 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1k26 h ILE 116 Cb 1.51 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1k26 h ILE 116 CO 0.29 0.20 0.00 0.44 0.00 0.00 0.00 178.15 179.08 1k26 h ASP 117 N 0.00 0.00 0.54 1.72 3.32 -1.92 -2.87 116.42 117.20 1k26 h ASP 117 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k26 h ASP 117 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1k26 h ASP 117 CO 0.03 0.00 -0.31 0.54 -1.72 0.00 0.00 179.24 177.77 1k26 n ARG 118 N -2.31 0.22 -4.36 3.56 1.74 -1.06 -4.90 116.66 109.54 1k26 n ARG 118 Ca 0.01 -0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.75 1k26 n ARG 118 Cb 0.15 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 1k26 n ARG 118 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1k26 s ILE 119 N -2.85 1.99 -0.37 0.55 -4.36 -1.09 -5.10 121.20 109.98 1k26 s ILE 119 Ca 0.16 -1.99 -0.28 0.00 -0.26 0.00 0.00 60.65 58.28 1k26 s ILE 119 Cb 0.18 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.96 1k26 s ILE 119 CO 0.61 -0.28 1.06 -0.70 0.24 0.00 0.00 174.94 175.86 1k26 s GLU 120 N -2.84 3.94 0.22 0.37 2.56 -1.26 -5.00 118.70 116.69 1k26 s GLU 120 Ca 0.18 0.85 0.11 0.00 0.00 0.00 0.00 54.97 56.11 1k26 s GLU 120 Cb -0.06 -3.79 -0.05 0.00 2.00 0.00 0.00 34.13 32.23 1k26 s GLU 120 CO 0.08 -1.02 -0.20 0.95 -0.56 0.00 0.00 175.26 174.51 1k26 s THR 121 N 3.80 2.57 0.68 -1.70 -4.23 -1.26 -0.17 115.64 115.32 1k26 s THR 121 Ca 0.44 -2.06 -0.17 0.00 -1.18 0.00 0.00 61.69 58.72 1k26 s THR 121 Cb -0.11 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1k26 s THR 121 CO 0.20 -0.20 1.26 0.12 -0.54 0.00 0.00 174.62 175.46 1k26 s PHE 122 N -1.91 2.06 0.42 3.99 5.36 -0.03 -4.80 117.98 123.07 1k26 s PHE 122 Ca 0.24 1.53 -0.26 0.00 -0.96 0.00 0.00 56.93 57.48 1k26 s PHE 122 Cb -0.07 -3.61 -0.10 0.00 -0.34 0.00 0.00 43.02 38.89 1k26 s PHE 122 CO 0.12 -2.80 1.27 -2.30 -1.46 0.00 0.00 175.22 170.06 1k26 n PRO 123 N -2.18 1.95 -0.89 10.12 -0.02 -1.26 -2.58 135.00 140.14 1k26 n PRO 123 Ca 0.15 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1k26 n PRO 123 Cb 0.49 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.24 0.00 -0.24 2.55 3.02 -1.26 -4.89 115.26 114.69 1k26 n ASN 124 Ca 0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.60 1k26 n ASN 124 Cb 0.39 -0.49 0.10 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.97 -0.11 2.41 2.07 -1.85 0.32 116.25 120.06 1k26 h VAL 125 Ca 0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1k26 h VAL 125 Cb 0.00 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1k26 h VAL 125 CO 0.00 0.13 0.01 -0.09 0.02 0.00 0.00 177.57 177.65 1k26 h ARG 126 N 0.72 0.18 -0.81 1.57 2.43 -1.90 -1.66 114.38 114.92 1k26 h ARG 126 Ca 0.31 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1k26 h ARG 126 Cb 0.19 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1k26 h ARG 126 CO -0.18 0.39 0.49 0.87 -1.51 0.00 0.00 179.97 180.03 1k26 h LYS 127 N -0.05 0.87 -0.47 0.20 1.57 -1.90 -2.03 116.57 114.75 1k26 h LYS 127 Ca 0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1k26 h LYS 127 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1k26 h LYS 127 CO 0.00 0.57 -0.10 0.28 -0.57 0.00 0.00 179.45 179.63 1k26 h VAL 128 N 0.89 1.26 -0.30 0.50 2.07 -0.75 -1.45 116.25 118.47 1k26 h VAL 128 Ca 0.35 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1k26 h VAL 128 Cb 0.18 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1k26 h VAL 128 CO -0.18 0.41 -0.12 1.62 0.02 0.00 0.00 177.57 179.33 1k26 h VAL 129 N 0.76 1.23 -0.75 2.57 3.04 -0.84 0.12 116.25 122.38 1k26 h VAL 129 Ca 0.13 -1.01 -0.03 0.00 -1.01 0.00 0.00 66.70 64.78 1k26 h VAL 129 Cb 0.60 1.13 -0.03 0.00 -2.01 0.00 0.00 31.29 30.98 1k26 h VAL 129 CO 0.04 0.33 0.34 -1.28 -1.01 0.00 0.00 177.57 175.99 1k26 h SER 130 N 0.47 1.00 -0.41 3.17 0.87 -0.87 0.51 113.55 118.28 1k26 h SER 130 Ca 0.09 -0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 1k26 h SER 130 Cb 0.49 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1k26 h SER 130 CO 0.03 0.86 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.88 1k26 h LEU 131 N 1.08 0.96 -0.41 2.23 3.38 -0.21 -2.17 115.31 120.17 1k26 h LEU 131 Ca 0.26 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1k26 h LEU 131 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1k26 h LEU 131 CO -0.03 1.14 0.06 0.00 0.09 0.00 0.00 178.44 179.70 1k26 h ALA 132 N 0.92 0.54 -0.48 1.53 0.00 -0.05 -1.23 119.26 120.49 1k26 h ALA 132 Ca 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1k26 h ALA 132 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1k26 h ALA 132 CO 0.07 0.26 0.32 -0.07 0.00 0.00 0.00 179.25 179.83 1k26 h LEU 133 N 0.53 0.55 -1.47 0.00 3.38 -0.84 -0.02 115.31 117.43 1k26 h LEU 133 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1k26 h LEU 133 Cb 0.38 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1k26 h LEU 133 CO 0.01 0.39 0.15 0.28 0.09 0.00 0.00 178.44 179.37 1k26 h SER 134 N 0.64 0.45 -0.07 -0.43 0.02 -1.17 -1.82 113.55 111.18 1k26 h SER 134 Ca 0.18 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 1k26 h SER 134 Cb -0.07 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.36 1k26 h SER 134 CO -0.04 0.41 -0.45 0.74 -1.14 0.00 0.00 176.83 176.35 1k26 h THR 135 N 0.51 1.40 -0.39 -2.27 2.02 -0.62 -1.67 112.91 111.89 1k26 h THR 135 Ca 0.13 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1k26 h THR 135 Cb 0.09 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1k26 h THR 135 CO -0.01 0.54 0.24 -0.07 0.37 0.00 0.00 175.52 176.58 1k26 h LEU 136 N -0.02 0.46 -0.31 2.58 3.38 -0.88 -0.94 115.31 119.57 1k26 h LEU 136 Ca -0.04 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1k26 h LEU 136 Cb 1.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1k26 h LEU 136 CO 0.09 0.35 -0.08 0.22 0.09 0.00 0.00 178.44 179.11 1k26 h TYR 137 N 0.54 0.68 0.00 1.13 3.20 -1.27 -0.37 116.97 120.88 1k26 h TYR 137 Ca 0.14 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1k26 h TYR 137 Cb -0.03 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1k26 h TYR 137 CO 0.00 0.79 0.00 0.00 -1.64 0.00 0.00 178.16 177.31 1k26 h ARG 138 N 0.38 0.00 -0.01 1.82 3.08 -0.22 0.29 114.38 119.72 1k26 h ARG 138 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1k26 h ARG 138 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1k26 h ARG 138 CO 0.03 0.00 -0.54 1.28 -1.07 0.00 0.00 179.97 179.67 1k26 n LEU 139 N -2.59 1.90 0.00 3.04 4.77 -0.70 -4.95 117.00 118.46 1k26 n LEU 139 Ca -0.01 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1k26 n LEU 139 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1k26 n LEU 139 CO 0.16 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1k26 n GLY 140 N 1.43 0.40 0.00 -0.72 0.00 0.10 -4.81 105.19 101.58 1k26 n GLY 140 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1k26 n GLY 140 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k26 n LYS 141 N -1.74 0.06 -3.82 1.61 5.02 -0.25 -4.73 118.16 114.31 1k26 n LYS 141 Ca 0.00 0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1k26 n LYS 141 Cb 0.13 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 1k26 n LYS 141 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k26 s ILE 142 N -2.91 0.08 0.66 -0.18 1.01 -1.14 -4.98 121.20 113.74 1k26 s ILE 142 Ca 0.12 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1k26 s ILE 142 Cb 0.13 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 1k26 s ILE 142 CO 0.35 -0.36 1.05 -0.94 0.00 0.00 0.00 174.94 175.03 1k26 s SER 143 N -1.53 5.71 0.33 3.58 1.04 -1.26 -4.33 113.70 117.24 1k26 s SER 143 Ca -0.12 1.55 0.02 0.00 0.48 0.00 0.00 55.95 57.88 1k26 s SER 143 Cb -0.05 -2.49 0.57 0.00 0.10 0.00 0.00 66.02 64.15 1k26 s SER 143 CO 0.01 -1.22 1.91 0.50 0.98 0.00 0.00 173.24 175.42 1k26 h LYS 144 N -0.51 0.71 -0.39 4.02 3.64 -1.98 -2.26 116.57 119.80 1k26 h LYS 144 Ca -0.44 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1k26 h LYS 144 Cb 1.20 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1k26 h LYS 144 CO 0.59 0.60 0.21 1.25 -2.27 0.00 0.00 179.45 179.83 1k26 h LEU 145 N 0.70 0.49 -1.76 5.20 5.85 -2.02 -1.83 115.31 121.94 1k26 h LEU 145 Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1k26 h LEU 145 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1k26 h LEU 145 CO -0.01 0.44 0.14 0.00 -0.34 0.00 0.00 178.44 178.67 1k26 h ALA 146 N 1.07 1.82 -0.00 1.25 0.00 -1.83 -3.54 119.26 118.03 1k26 h ALA 146 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k26 h ALA 146 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1k26 h ALA 146 CO -0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.39