#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l s PRO 2 N 0.00 4.49 -0.03 1.61 0.04 -1.26 -4.95 135.00 134.91 1g9l s PRO 2 Ca 0.00 1.96 0.20 0.00 0.04 0.00 0.00 61.00 63.21 1g9l s PRO 2 Cb 0.00 -3.17 -0.26 0.00 0.04 0.00 0.00 34.50 31.11 1g9l s PRO 2 CO 0.00 -0.03 0.49 -0.11 0.04 0.00 0.00 177.00 177.39 1g9l n LEU 3 N 1.64 0.20 -4.17 -3.56 0.00 -1.26 -4.68 117.00 105.18 1g9l n LEU 3 Ca 0.02 0.08 -0.43 0.00 0.00 0.00 0.00 56.01 55.68 1g9l n LEU 3 Cb 0.44 0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.97 1g9l n LEU 3 CO 0.56 0.11 2.23 0.61 0.00 0.00 0.00 177.39 180.90 1g9l n GLY 4 N 1.38 3.57 3.51 -3.96 0.00 -1.26 -4.89 105.19 103.54 1g9l n GLY 4 Ca -0.11 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 1g9l n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g9l s SER 5 N 3.44 6.95 0.44 1.61 0.01 -1.26 -4.94 113.70 119.96 1g9l s SER 5 Ca 0.49 -2.72 0.04 0.00 1.31 0.00 0.00 55.95 55.07 1g9l s SER 5 Cb 0.08 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1g9l s SER 5 CO -0.00 -0.93 0.13 0.00 0.41 0.00 0.00 173.24 172.84 1g9l s ALA 6 N 2.69 3.20 -0.93 1.44 0.00 -1.26 -5.09 121.76 121.81 1g9l s ALA 6 Ca 0.47 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 1g9l s ALA 6 Cb -0.00 0.67 0.16 0.00 0.00 0.00 0.00 23.12 23.94 1g9l s ALA 6 CO 0.02 -0.30 1.07 0.00 0.00 0.00 0.00 175.76 176.55 1g9l s ALA 7 N -3.13 3.60 -0.30 0.00 0.00 -1.26 -4.90 121.76 115.77 1g9l s ALA 7 Ca 0.19 -2.96 -0.02 0.00 0.00 0.00 0.00 51.96 49.17 1g9l s ALA 7 Cb 0.01 -3.93 0.19 0.00 0.00 0.00 0.00 23.12 19.39 1g9l s ALA 7 CO 0.13 -2.80 0.74 0.00 0.00 0.00 0.00 175.76 173.83 1g9l s ALA 8 N 1.97 -2.75 0.00 0.00 0.00 -1.26 -4.71 121.76 115.01 1g9l s ALA 8 Ca 0.30 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1g9l s ALA 8 Cb -0.06 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1g9l s ALA 8 CO -0.09 -1.60 0.00 0.00 0.00 0.00 0.00 175.76 174.07 1g9l n ALA 9 N 5.39 0.03 0.07 0.00 0.00 -1.26 -4.97 120.51 119.77 1g9l n ALA 9 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1g9l n ALA 9 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1g9l n ALA 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g9l n THR 10 N -0.03 0.00 -0.16 0.00 -1.04 -1.26 -4.95 114.28 106.84 1g9l n THR 10 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1g9l n THR 10 Cb 0.00 -0.14 0.08 0.00 -1.82 0.00 0.00 70.33 68.45 1g9l n THR 10 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1g9l h PRO 11 N 0.00 0.94 -3.53 -2.82 0.13 -1.95 -3.31 132.00 121.46 1g9l h PRO 11 Ca 0.00 -0.29 -0.75 0.00 -0.87 0.00 0.00 66.00 64.09 1g9l h PRO 11 Cb 0.00 -0.09 -0.13 0.00 0.13 0.00 0.00 31.00 30.91 1g9l h PRO 11 CO 0.00 0.94 2.30 0.00 -0.23 0.00 0.00 178.00 181.01 1g9l n ALA 12 N -2.48 5.53 -1.95 -0.56 0.00 -1.26 -4.98 120.51 114.81 1g9l n ALA 12 Ca 0.02 -4.21 -0.34 0.00 0.00 0.00 0.00 53.44 48.92 1g9l n ALA 12 Cb 0.34 -3.08 -0.06 0.00 0.00 0.00 0.00 19.45 16.64 1g9l n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g9l s VAL 13 N 0.85 4.46 -2.20 0.00 0.11 -1.25 -4.67 120.40 117.71 1g9l s VAL 13 Ca 0.42 1.38 0.18 0.00 -2.93 0.00 0.00 61.98 61.03 1g9l s VAL 13 Cb 0.11 -3.73 0.42 0.00 -1.53 0.00 0.00 36.38 31.65 1g9l s VAL 13 CO -0.02 -0.10 1.45 -2.11 -3.33 0.00 0.00 175.10 171.00 1g9l n ARG 14 N -0.09 1.82 -4.04 1.54 1.85 -1.26 -4.89 116.66 111.59 1g9l n ARG 14 Ca 0.03 -1.25 -0.21 0.00 -1.00 0.00 0.00 57.85 55.42 1g9l n ARG 14 Cb 0.52 -1.37 -0.03 0.00 -1.05 0.00 0.00 32.46 30.53 1g9l n ARG 14 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1g9l s THR 15 N -1.68 4.87 -0.25 8.89 -4.23 -1.26 -5.07 115.64 116.92 1g9l s THR 15 Ca 0.30 -1.19 -0.16 0.00 -1.18 0.00 0.00 61.69 59.47 1g9l s THR 15 Cb 0.16 -3.64 -0.11 0.00 1.34 0.00 0.00 72.50 70.25 1g9l s THR 15 CO 0.24 -0.34 -0.28 0.52 -0.54 0.00 0.00 174.62 174.22 1g9l n VAL 16 N -1.29 1.52 -2.34 2.29 0.31 -1.26 -4.95 118.33 112.60 1g9l n VAL 16 Ca -0.08 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 1g9l n VAL 16 Cb 0.57 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 1g9l n VAL 16 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1g9l s PRO 17 N -2.55 4.42 0.61 5.55 0.04 -1.26 -5.03 135.00 136.78 1g9l s PRO 17 Ca -0.35 1.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 1g9l s PRO 17 Cb 0.11 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1g9l s PRO 17 CO 0.48 -0.25 0.97 -0.65 0.04 0.00 0.00 177.00 177.60 1g9l s GLN 18 N 0.65 3.20 0.00 4.56 -0.21 -1.26 -5.07 119.66 121.53 1g9l s GLN 18 Ca 0.58 0.37 0.00 0.00 0.02 0.00 0.00 55.36 56.33 1g9l s GLN 18 Cb -0.32 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1g9l s GLN 18 CO 0.32 -0.67 0.01 0.66 -2.12 0.00 0.00 175.29 173.49 1g9l n TYR 19 N -2.69 0.00 -2.29 0.91 4.01 -1.26 -4.78 117.16 111.05 1g9l n TYR 19 Ca 0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.36 1g9l n TYR 19 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 1g9l n TYR 19 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1g9l s LYS 20 N -0.02 4.24 0.69 -0.72 -2.85 -1.26 -5.01 119.74 114.81 1g9l s LYS 20 Ca 0.00 1.84 -0.11 0.00 -1.00 0.00 0.00 55.97 56.69 1g9l s LYS 20 Cb 0.00 -3.78 0.00 0.00 -2.06 0.00 0.00 37.83 32.00 1g9l s LYS 20 CO 0.00 -0.70 1.08 0.71 0.10 0.00 0.00 175.35 176.54 1g9l s TYR 21 N 3.37 3.39 -0.13 1.78 2.02 -1.26 -5.03 117.35 121.49 1g9l s TYR 21 Ca 0.61 1.10 -0.13 0.00 -0.37 0.00 0.00 57.07 58.28 1g9l s TYR 21 Cb -0.26 -2.99 -0.11 0.00 -0.40 0.00 0.00 41.96 38.20 1g9l s TYR 21 CO 0.21 -1.07 0.24 0.00 -1.57 0.00 0.00 175.55 173.36 1g9l h ALA 22 N -0.58 0.03 -2.24 3.71 0.00 -2.01 -3.45 119.26 114.72 1g9l h ALA 22 Ca -0.45 -0.35 -0.56 0.00 0.00 0.00 0.00 54.91 53.55 1g9l h ALA 22 Cb 1.24 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1g9l h ALA 22 CO 0.63 0.14 0.67 0.00 0.00 0.00 0.00 179.25 180.69 1g9l s ALA 23 N -2.45 3.49 -0.36 0.00 0.00 -1.26 -4.92 121.76 116.26 1g9l s ALA 23 Ca -0.11 0.43 0.21 0.00 0.00 0.00 0.00 51.96 52.49 1g9l s ALA 23 Cb -0.00 -3.49 0.25 0.00 0.00 0.00 0.00 23.12 19.88 1g9l s ALA 23 CO 0.31 -0.76 1.54 0.78 0.00 0.00 0.00 175.76 177.63 1g9l h GLY 24 N 8.40 0.00 -5.64 0.00 0.00 -2.04 -3.44 103.07 100.35 1g9l h GLY 24 Ca -0.30 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.38 1g9l h GLY 24 CO 0.89 0.00 -0.61 0.14 0.00 0.00 0.00 176.54 176.96 1g9l s VAL 25 N -3.15 4.42 0.33 4.60 1.01 -1.26 -5.11 120.40 121.24 1g9l s VAL 25 Ca 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1g9l s VAL 25 Cb 0.06 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1g9l s VAL 25 CO 0.69 0.55 0.52 -0.60 0.00 0.00 0.00 175.10 176.26 1g9l s ARG 26 N -0.30 3.41 0.41 2.72 3.52 -1.26 -5.08 118.95 122.36 1g9l s ARG 26 Ca 0.07 -0.49 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 1g9l s ARG 26 Cb -0.12 -2.71 -0.08 0.00 -1.56 0.00 0.00 34.95 30.48 1g9l s ARG 26 CO 0.02 0.16 1.17 -0.80 -0.81 0.00 0.00 175.30 175.04 1g9l s ASN 27 N -4.05 6.46 -0.84 -2.12 -0.87 -1.26 -4.90 114.94 107.36 1g9l s ASN 27 Ca 0.40 2.35 -0.25 0.00 -1.57 0.00 0.00 52.86 53.79 1g9l s ASN 27 Cb -0.09 -2.61 -0.07 0.00 -0.02 0.00 0.00 41.25 38.45 1g9l s ASN 27 CO 0.34 -0.72 2.08 -2.16 -2.57 0.00 0.00 177.10 174.07 1g9l s PRO 28 N -2.36 2.30 -0.32 -0.60 0.04 -1.26 -4.76 135.00 128.03 1g9l s PRO 28 Ca 0.58 0.04 0.10 0.00 0.04 0.00 0.00 61.00 61.76 1g9l s PRO 28 Cb -0.30 -4.92 0.75 0.00 0.04 0.00 0.00 34.50 30.07 1g9l s PRO 28 CO 0.38 -3.60 1.81 1.04 0.04 0.00 0.00 177.00 176.67 1g9l n GLN 29 N 8.88 3.78 0.00 4.56 1.13 -1.26 -4.71 117.38 129.76 1g9l n GLN 29 Ca 0.40 -3.06 0.00 0.00 -1.94 0.00 0.00 57.00 52.40 1g9l n GLN 29 Cb 0.47 -2.22 0.00 0.00 0.11 0.00 0.00 30.24 28.59 1g9l n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1g9l n GLN 30 N -0.10 0.00 0.00 -1.09 6.02 -1.26 -5.06 117.38 115.88 1g9l n GLN 30 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1g9l n GLN 30 Cb 1.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.65 1g9l n GLN 30 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1g9l n HIS 31 N 0.00 0.00 -1.67 1.08 1.44 -1.26 -5.14 115.22 109.66 1g9l n HIS 31 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1g9l n HIS 31 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1g9l s LEU 32 N -1.17 3.33 -0.95 2.39 0.05 -1.26 -4.98 118.68 116.10 1g9l s LEU 32 Ca 0.00 1.98 -0.13 0.00 0.05 0.00 0.00 54.13 56.03 1g9l s LEU 32 Cb 0.00 -4.55 0.22 0.00 -2.05 0.00 0.00 46.19 39.82 1g9l s LEU 32 CO 0.00 -1.71 0.95 0.21 -0.55 0.00 0.00 176.35 175.26 1g9l s ASN 33 N -2.70 6.94 -0.86 1.48 2.47 -1.26 -4.98 114.94 116.02 1g9l s ASN 33 Ca 0.66 -2.91 -0.17 0.00 0.42 0.00 0.00 52.86 50.86 1g9l s ASN 33 Cb -0.20 -2.24 0.16 0.00 -1.45 0.00 0.00 41.25 37.51 1g9l s ASN 33 CO 0.44 -0.55 0.96 0.00 -3.72 0.00 0.00 177.10 174.23 1g9l s ALA 34 N 0.11 3.62 -0.14 1.71 0.00 -1.26 -4.86 121.76 120.93 1g9l s ALA 34 Ca 0.25 -2.91 -0.24 0.00 0.00 0.00 0.00 51.96 49.06 1g9l s ALA 34 Cb -0.09 -3.82 -0.22 0.00 0.00 0.00 0.00 23.12 19.00 1g9l s ALA 34 CO -0.08 -2.68 0.59 1.96 0.00 0.00 0.00 175.76 175.55 1g9l h GLN 35 N 8.50 0.00 -3.86 0.00 1.08 -2.05 -3.39 115.11 115.39 1g9l h GLN 35 Ca 0.10 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.60 1g9l h GLN 35 Cb 1.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1g9l h GLN 35 CO 0.98 0.87 3.21 -0.35 -0.95 0.00 0.00 178.83 182.59 1g9l n PRO 36 N -4.61 2.92 -0.69 1.46 -0.04 -1.26 -4.65 135.00 128.13 1g9l n PRO 36 Ca -0.12 -2.49 -0.04 0.00 -0.04 0.00 0.00 63.50 60.81 1g9l n PRO 36 Cb 0.45 -3.19 0.21 0.00 -0.04 0.00 0.00 33.50 30.92 1g9l n PRO 36 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 37 N 5.73 2.84 0.17 0.54 6.02 -1.26 -4.13 117.38 127.29 1g9l n GLN 37 Ca 0.56 -2.06 0.12 0.00 -0.01 0.00 0.00 57.00 55.62 1g9l n GLN 37 Cb 0.36 -1.91 0.24 0.00 1.02 0.00 0.00 30.24 29.94 1g9l n GLN 37 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1g9l h VAL 38 N 1.80 0.00 -3.28 5.09 -1.51 -1.97 -3.44 116.25 112.95 1g9l h VAL 38 Ca 0.18 -0.80 -0.58 0.00 -1.23 0.00 0.00 66.70 64.26 1g9l h VAL 38 Cb 1.82 1.75 -0.07 0.00 -2.13 0.00 0.00 31.29 32.65 1g9l h VAL 38 CO 0.51 0.00 0.69 -0.89 -1.23 0.00 0.00 177.57 176.64 1g9l s THR 39 N -3.18 4.66 0.50 7.19 2.01 -1.26 -5.04 115.64 120.52 1g9l s THR 39 Ca 0.08 1.66 0.08 0.00 0.31 0.00 0.00 61.69 63.82 1g9l s THR 39 Cb 0.08 -4.29 0.08 0.00 0.01 0.00 0.00 72.50 68.37 1g9l s THR 39 CO 0.66 -0.30 0.64 0.23 -0.69 0.00 0.00 174.62 175.15 1g9l n MET 40 N 6.48 0.68 -3.64 4.92 2.81 -1.26 -5.14 117.12 121.96 1g9l n MET 40 Ca 0.09 -2.78 -0.08 0.00 -1.81 0.00 0.00 57.70 53.12 1g9l n MET 40 Cb 0.47 -0.11 -0.07 0.00 -0.71 0.00 0.00 33.22 32.80 1g9l n MET 40 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1g9l s GLN 41 N -4.24 0.72 -0.73 0.03 -1.52 -1.26 -5.01 119.66 107.65 1g9l s GLN 41 Ca 0.48 1.17 -0.02 0.00 -1.95 0.00 0.00 55.36 55.04 1g9l s GLN 41 Cb -0.04 0.18 0.00 0.00 -0.22 0.00 0.00 33.01 32.94 1g9l s GLN 41 CO 0.31 -0.14 0.67 1.04 -0.25 0.00 0.00 175.29 176.92 1g9l n GLN 42 N 4.01 -1.47 -2.26 2.91 6.02 -1.26 -4.82 117.38 120.51 1g9l n GLN 42 Ca -0.19 1.37 -0.33 0.00 -0.01 0.00 0.00 57.00 57.84 1g9l n GLN 42 Cb 0.58 -4.85 -0.04 0.00 1.02 0.00 0.00 30.24 26.95 1g9l n GLN 42 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1g9l s PRO 43 N -3.41 3.03 -0.34 -1.09 0.04 -1.26 -4.93 135.00 127.03 1g9l s PRO 43 Ca 0.03 -1.20 -0.28 0.00 0.04 0.00 0.00 61.00 59.58 1g9l s PRO 43 Cb -0.01 -5.30 -0.02 0.00 0.04 0.00 0.00 34.50 29.21 1g9l s PRO 43 CO 0.79 -3.20 1.85 0.00 0.04 0.00 0.00 177.00 176.48 1g9l s ALA 44 N 8.34 2.78 -0.08 8.56 0.00 -1.26 -4.97 121.76 135.12 1g9l s ALA 44 Ca 0.62 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 1g9l s ALA 44 Cb -0.01 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 1g9l s ALA 44 CO 0.06 -2.78 0.43 0.14 0.00 0.00 0.00 175.76 173.61 1g9l s VAL 45 N 7.30 5.15 -0.29 0.00 -7.23 -1.26 -4.97 120.40 119.10 1g9l s VAL 45 Ca 0.81 0.86 0.02 0.00 -1.81 0.00 0.00 61.98 61.86 1g9l s VAL 45 Cb -0.23 -3.76 0.40 0.00 0.56 0.00 0.00 36.38 33.36 1g9l s VAL 45 CO 0.33 0.42 1.61 1.41 -0.31 0.00 0.00 175.10 178.55 1g9l n HIS 46 N 3.05 1.90 -3.37 2.82 8.25 -1.26 -4.93 115.22 121.68 1g9l n HIS 46 Ca -0.10 -1.42 -0.33 0.00 -0.26 0.00 0.00 57.72 55.61 1g9l n HIS 46 Cb 0.52 -0.72 -0.06 0.00 1.12 0.00 0.00 29.99 30.85 1g9l n HIS 46 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1g9l s VAL 47 N -2.12 4.88 0.00 1.59 0.11 -1.26 -5.09 120.40 118.51 1g9l s VAL 47 Ca 0.36 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 60.05 1g9l s VAL 47 Cb 0.30 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1g9l s VAL 47 CO 0.06 0.03 0.00 0.00 -3.33 0.00 0.00 175.10 171.86 1g9l n GLN 48 N 0.18 -0.05 0.25 1.54 6.02 -1.26 -4.92 117.38 119.14 1g9l n GLN 48 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1g9l n GLN 48 Cb 0.52 0.00 0.45 0.00 1.02 0.00 0.00 30.24 32.23 1g9l n GLN 48 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1g9l h GLY 49 N -0.24 0.00 -6.92 1.08 0.00 -2.02 -3.42 103.07 91.55 1g9l h GLY 49 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1g9l h GLY 49 CO 0.00 0.00 0.22 1.20 0.00 0.00 0.00 176.54 177.96 1g9l s GLN 50 N -3.47 3.58 -0.15 4.80 -1.52 -1.26 -4.95 119.66 116.69 1g9l s GLN 50 Ca 0.03 0.01 -0.27 0.00 -1.95 0.00 0.00 55.36 53.18 1g9l s GLN 50 Cb 0.07 -3.85 -0.24 0.00 -0.22 0.00 0.00 33.01 28.77 1g9l s GLN 50 CO 0.61 -0.86 0.63 1.49 -0.25 0.00 0.00 175.29 176.90 1g9l h GLU 51 N 8.62 0.00 -7.05 2.91 4.57 -1.99 -3.47 114.58 118.17 1g9l h GLU 51 Ca -0.26 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.40 1g9l h GLU 51 Cb 1.10 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 29.79 1g9l h GLU 51 CO 0.88 0.97 0.50 -1.25 -1.18 0.00 0.00 179.01 178.93 1g9l s PRO 52 N -2.24 3.34 0.23 0.92 0.04 -1.26 -4.99 135.00 131.04 1g9l s PRO 52 Ca -0.21 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 1g9l s PRO 52 Cb -0.01 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1g9l s PRO 52 CO 0.65 -0.92 1.05 -1.17 0.04 0.00 0.00 177.00 176.65 1g9l s LEU 53 N -3.54 4.56 0.22 -3.56 1.98 -1.26 -4.87 118.68 112.20 1g9l s LEU 53 Ca 0.71 2.09 -0.21 0.00 -2.89 0.00 0.00 54.13 53.83 1g9l s LEU 53 Cb -0.31 -3.61 0.07 0.00 0.66 0.00 0.00 46.19 43.00 1g9l s LEU 53 CO 0.36 -0.08 1.00 0.42 -1.89 0.00 0.00 176.35 176.16 1g9l s THR 54 N -0.81 0.00 0.32 3.68 -4.23 -1.26 -4.79 115.64 108.55 1g9l s THR 54 Ca 0.45 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 60.40 1g9l s THR 54 Cb -0.29 -2.91 0.31 0.00 1.34 0.00 0.00 72.50 70.95 1g9l s THR 54 CO 0.36 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 176.16 1g9l h ALA 55 N 2.00 1.76 -0.26 3.99 0.00 -1.45 0.88 119.26 126.19 1g9l h ALA 55 Ca -0.28 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1g9l h ALA 55 Cb 1.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1g9l h ALA 55 CO 0.37 -0.28 0.12 0.77 0.00 0.00 0.00 179.25 180.23 1g9l h SER 56 N 0.56 0.17 -0.74 0.00 0.02 -1.85 -0.16 113.55 111.55 1g9l h SER 56 Ca 0.64 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.65 1g9l h SER 56 Cb 1.22 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1g9l h SER 56 CO -0.48 0.13 0.46 0.24 -1.14 0.00 0.00 176.83 176.04 1g9l h MET 57 N 0.26 0.85 -0.48 3.45 2.07 -1.20 -2.03 114.93 117.85 1g9l h MET 57 Ca 0.11 -0.05 0.01 0.00 -2.07 0.00 0.00 59.70 57.70 1g9l h MET 57 Cb 0.05 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.56 1g9l h MET 57 CO -0.09 0.56 0.31 -0.07 1.07 0.00 0.00 176.91 178.70 1g9l h LEU 58 N 0.88 0.53 -0.52 1.22 -0.00 -0.71 -0.95 115.31 115.75 1g9l h LEU 58 Ca 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1g9l h LEU 58 Cb 0.07 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1g9l h LEU 58 CO -0.13 0.38 0.00 0.00 -0.00 0.00 0.00 178.44 178.69 1g9l n ALA 59 N -2.24 1.27 0.74 1.53 0.00 -0.13 -1.46 120.51 120.22 1g9l n ALA 59 Ca 0.02 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1g9l n ALA 59 Cb 0.04 -1.21 0.49 0.00 0.00 0.00 0.00 19.45 18.77 1g9l n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g9l n SER 60 N -1.84 0.23 -3.18 0.00 7.64 -0.36 -3.92 113.62 112.18 1g9l n SER 60 Ca 0.01 0.53 -0.19 0.00 1.01 0.00 0.00 58.87 60.23 1g9l n SER 60 Cb 0.09 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l n ALA 61 N -1.58 2.15 -2.67 -0.43 0.00 -0.54 -5.04 120.51 112.40 1g9l n ALA 61 Ca 0.05 -3.46 -0.37 0.00 0.00 0.00 0.00 53.44 49.67 1g9l n ALA 61 Cb 0.30 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1g9l s PRO 62 N -2.35 4.02 -0.42 0.00 0.04 -1.25 0.10 135.00 135.14 1g9l s PRO 62 Ca 0.40 -0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.18 1g9l s PRO 62 Cb 0.33 -3.54 0.59 0.00 0.04 0.00 0.00 34.50 31.92 1g9l s PRO 62 CO -0.08 0.01 1.85 -0.35 0.04 0.00 0.00 177.00 178.46 1g9l n PRO 63 N 4.43 2.16 0.00 0.56 -0.04 -1.26 -5.02 135.00 135.83 1g9l n PRO 63 Ca -0.15 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 1g9l n PRO 63 Cb 0.52 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1g9l n PRO 63 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 64 N -0.96 0.00 -0.96 0.54 1.13 0.28 -4.00 117.38 113.41 1g9l n GLN 64 Ca 0.54 0.08 -0.10 0.00 -1.94 0.00 0.00 57.00 55.58 1g9l n GLN 64 Cb 1.49 -0.73 0.21 0.00 0.11 0.00 0.00 30.24 31.33 1g9l n GLN 64 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1g9l n GLU 65 N -0.31 2.31 0.25 -1.09 0.28 0.21 -4.55 120.64 117.74 1g9l n GLU 65 Ca 0.00 -3.09 0.17 0.00 -0.16 0.00 0.00 57.16 54.08 1g9l n GLU 65 Cb 0.00 -2.00 0.72 0.00 1.43 0.00 0.00 31.44 31.59 1g9l n GLU 65 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1g9l h GLN 66 N 1.28 0.00 0.00 3.44 4.20 -1.60 -2.83 115.11 119.60 1g9l h GLN 66 Ca 0.36 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.97 1g9l h GLN 66 Cb 2.16 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 29.74 1g9l h GLN 66 CO 0.68 0.00 -0.76 1.63 -0.67 0.00 0.00 178.83 179.71 1g9l n LYS 67 N -2.85 0.63 0.10 1.46 4.01 -1.26 -4.85 118.16 115.39 1g9l n LYS 67 Ca 0.00 -2.42 0.00 0.00 -0.51 0.00 0.00 58.31 55.38 1g9l n LYS 67 Cb 0.24 -0.69 0.00 0.00 -0.51 0.00 0.00 35.03 34.07 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1g9l n GLN 68 N -0.21 0.00 -0.04 1.97 7.27 -1.10 -4.85 117.38 120.43 1g9l n GLN 68 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.17 1g9l n GLN 68 Cb 0.93 -0.20 0.01 0.00 2.41 0.00 0.00 30.24 33.39 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g9l n MET 69 N -3.40 1.10 0.00 3.69 0.00 -1.09 -3.01 117.12 114.42 1g9l n MET 69 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 57.70 57.37 1g9l n MET 69 Cb 0.03 -1.33 -0.14 0.00 0.00 0.00 0.00 33.22 31.78 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1g9l h LEU 70 N 0.50 0.39 -2.99 3.17 -0.00 -1.89 -3.24 115.31 111.24 1g9l h LEU 70 Ca 0.01 -0.86 0.00 0.00 -0.00 0.00 0.00 57.88 57.03 1g9l h LEU 70 Cb 0.76 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1g9l h LEU 70 CO 0.03 1.72 0.00 0.61 -0.00 0.00 0.00 178.44 180.79 1g9l n GLY 71 N 1.81 3.32 0.00 0.17 0.00 -1.24 -4.29 105.19 104.96 1g9l n GLY 71 Ca -0.28 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1g9l n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g9l n GLU 72 N -0.55 0.17 0.00 1.61 1.02 -1.16 -3.92 120.64 117.81 1g9l n GLU 72 Ca 0.04 -0.62 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 1g9l n GLU 72 Cb 0.35 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1g9l n ARG 73 N -0.11 1.93 -0.03 3.49 0.00 -1.22 -4.73 116.66 115.99 1g9l n ARG 73 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1g9l n ARG 73 Cb 0.15 -0.85 0.53 0.00 0.00 0.00 0.00 32.46 32.30 1g9l n ARG 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1g9l h LEU 74 N 0.00 0.29 -0.52 6.15 -0.00 -1.75 -3.32 115.31 116.16 1g9l h LEU 74 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1g9l h LEU 74 Cb 0.69 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.23 1g9l h LEU 74 CO 0.00 0.18 -0.31 0.33 -0.00 0.00 0.00 178.44 178.64 1g9l n PHE 75 N -4.46 -0.23 0.29 1.13 7.35 -1.26 0.14 117.46 120.41 1g9l n PHE 75 Ca 0.08 0.65 0.17 0.00 -0.76 0.00 0.00 57.45 57.59 1g9l n PHE 75 Cb 0.35 -0.50 0.83 0.00 0.35 0.00 0.00 39.48 40.50 1g9l n PHE 75 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1g9l h PRO 76 N 0.00 0.00 0.00 -7.13 0.11 -1.95 -2.45 132.00 120.58 1g9l h PRO 76 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1g9l h PRO 76 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1g9l h PRO 76 CO -0.49 0.00 -1.73 1.28 -0.21 0.00 0.00 178.00 176.85 1g9l n LEU 77 N -2.76 0.24 -0.03 2.35 4.77 0.36 -4.37 117.00 117.55 1g9l n LEU 77 Ca -0.01 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 1g9l n LEU 77 Cb 0.15 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1g9l n LEU 77 CO 0.19 0.01 0.48 0.40 -1.33 0.00 0.00 177.39 177.14 1g9l h ILE 78 N 0.00 1.42 0.00 -0.08 1.08 0.11 -2.89 117.51 117.16 1g9l h ILE 78 Ca 0.00 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 1g9l h ILE 78 Cb 0.93 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.97 1g9l h ILE 78 CO 0.00 0.47 0.32 1.56 -0.69 0.00 0.00 178.15 179.80 1g9l h GLN 79 N -0.20 0.00 0.17 2.37 4.20 -1.75 0.66 115.11 120.57 1g9l h GLN 79 Ca -0.01 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.40 1g9l h GLN 79 Cb 0.88 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.68 1g9l h GLN 79 CO 0.05 0.00 -1.33 0.00 -0.67 0.00 0.00 178.83 176.89 1g9l h ALA 80 N 1.27 -0.01 -0.01 3.87 0.00 -1.72 -3.21 119.26 119.45 1g9l h ALA 80 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 1g9l h ALA 80 Cb 0.64 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1g9l h ALA 80 CO 0.00 0.83 -0.06 0.52 0.00 0.00 0.00 179.25 180.53 1g9l h MET 81 N 0.13 0.06 -6.20 0.00 2.86 0.30 -3.46 114.93 108.61 1g9l h MET 81 Ca -0.19 -0.05 -0.53 0.00 -2.06 0.00 0.00 59.70 56.88 1g9l h MET 81 Cb 2.03 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 33.64 1g9l h MET 81 CO 0.24 0.76 -0.56 -1.01 1.06 0.00 0.00 176.91 177.39 1g9l s HIS 82 N -3.37 3.01 -0.56 -0.22 4.02 -0.62 -5.00 115.29 112.55 1g9l s HIS 82 Ca -0.17 -0.13 -0.26 0.00 1.02 0.00 0.00 55.06 55.52 1g9l s HIS 82 Cb 0.00 -1.36 -0.24 0.00 -1.02 0.00 0.00 32.58 29.96 1g9l s HIS 82 CO 0.70 0.54 1.82 -2.30 1.02 0.00 0.00 174.74 176.52 1g9l n PRO 83 N -1.01 0.80 -4.03 8.40 -0.02 -1.26 -3.99 135.00 133.90 1g9l n PRO 83 Ca -0.08 -1.58 -0.33 0.00 -2.02 0.00 0.00 63.50 59.49 1g9l n PRO 83 Cb 0.58 -2.96 -0.01 0.00 -0.02 0.00 0.00 33.50 31.09 1g9l n PRO 83 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1g9l n THR 84 N 6.90 -1.30 0.21 3.45 -1.04 -1.21 -4.82 114.28 116.46 1g9l n THR 84 Ca 0.47 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.58 1g9l n THR 84 Cb 0.42 -2.04 0.26 0.00 -1.82 0.00 0.00 70.33 67.16 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1g9l n LEU 85 N -4.39 3.10 0.00 -4.42 4.77 -1.26 -4.88 117.00 109.92 1g9l n LEU 85 Ca 0.06 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 1g9l n LEU 85 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1g9l n LEU 85 CO 0.79 0.76 0.00 0.00 -1.33 0.00 0.00 177.39 177.60 1g9l n ALA 86 N 1.20 0.00 0.00 -1.18 0.00 -1.26 -4.53 120.51 114.74 1g9l n ALA 86 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1g9l n ALA 86 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1g9l n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 87 N 2.28 2.97 0.00 0.00 0.00 -1.26 -4.29 105.19 104.89 1g9l n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g9l n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1g9l n LYS 88 N -2.00 0.66 0.00 1.61 3.00 -1.26 -4.91 118.16 115.25 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1g9l n LYS 88 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1g9l n ILE 89 N -0.17 0.00 -0.24 3.15 5.41 -1.26 0.85 119.36 127.10 1g9l n ILE 89 Ca 0.00 0.78 0.10 0.00 1.00 0.00 0.00 62.75 64.63 1g9l n ILE 89 Cb 0.00 -1.53 0.37 0.00 -0.71 0.00 0.00 39.64 37.76 1g9l n ILE 89 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1g9l h THR 90 N 0.00 0.90 -0.27 1.39 2.02 -1.91 0.53 112.91 115.57 1g9l h THR 90 Ca 0.00 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.01 1g9l h THR 90 Cb 0.00 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1g9l h THR 90 CO 0.00 0.13 0.21 1.23 0.37 0.00 0.00 175.52 177.46 1g9l h GLY 91 N 0.72 0.00 1.56 2.16 0.00 -1.65 0.28 103.07 106.13 1g9l h GLY 91 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.50 1g9l h GLY 91 CO -0.17 0.00 -0.98 1.98 0.00 0.00 0.00 176.54 177.37 1g9l h MET 92 N 0.00 0.39 0.00 4.80 -1.53 0.56 -3.17 114.93 115.98 1g9l h MET 92 Ca 0.13 -0.45 0.00 0.00 -3.44 0.00 0.00 59.70 55.95 1g9l h MET 92 Cb 0.55 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.73 1g9l h MET 92 CO -0.00 1.12 0.02 1.28 0.14 0.00 0.00 176.91 179.47 1g9l n LEU 93 N -3.72 0.00 -1.45 3.39 7.99 0.97 0.96 117.00 125.14 1g9l n LEU 93 Ca -0.07 0.32 -0.06 0.00 -0.01 0.00 0.00 56.01 56.19 1g9l n LEU 93 Cb 0.86 -0.32 0.22 0.00 -0.11 0.00 0.00 43.42 44.07 1g9l n LEU 93 CO 0.52 -0.32 0.87 0.18 -1.51 0.00 0.00 177.39 177.12 1g9l n LEU 94 N -1.31 4.90 0.00 2.23 7.99 -1.15 -4.08 117.00 125.58 1g9l n LEU 94 Ca 0.00 -3.53 0.00 0.00 -0.01 0.00 0.00 56.01 52.47 1g9l n LEU 94 Cb 0.02 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.66 1g9l n LEU 94 CO 0.00 1.05 0.00 -1.84 -1.51 0.00 0.00 177.39 175.09 1g9l n GLU 95 N -0.88 0.00 0.00 3.23 0.28 0.27 -5.10 120.64 118.44 1g9l n GLU 95 Ca 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 1g9l n GLU 95 Cb 1.19 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.06 1g9l n GLU 95 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1g9l n ILE 96 N 0.00 0.00 0.00 3.84 -0.00 0.21 -4.65 119.36 118.77 1g9l n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g9l n ILE 96 Cb 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.75 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 -0.08 -1.26 -4.76 116.55 117.73 1g9l n ASP 97 Ca 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1g9l n ASP 97 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1g9l n ASP 97 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1g9l n ASN 98 N -1.12 0.00 0.09 1.67 3.02 -1.26 -4.66 115.26 113.00 1g9l n ASN 98 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1g9l n ASN 98 Cb 0.00 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1g9l n ASN 98 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1g9l h SER 99 N 0.00 0.14 1.25 6.41 0.87 -1.98 -2.68 113.55 117.55 1g9l h SER 99 Ca 0.00 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1g9l h SER 99 Cb 0.00 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1g9l h SER 99 CO 0.00 0.88 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.57 1g9l h GLU 100 N 0.06 0.00 0.00 2.24 5.08 -1.93 0.44 114.58 120.47 1g9l h GLU 100 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1g9l h GLU 100 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1g9l h GLU 100 CO 0.11 0.28 -0.27 1.25 -1.00 0.00 0.00 179.01 179.39 1g9l h LEU 101 N 0.00 0.00 0.07 1.33 6.46 -1.65 -2.28 115.31 119.24 1g9l h LEU 101 Ca -0.00 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.41 1g9l h LEU 101 Cb 0.98 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.88 1g9l h LEU 101 CO 0.04 0.27 -1.98 0.18 -0.62 0.00 0.00 178.44 176.33 1g9l n LEU 102 N -3.29 2.52 -0.16 2.25 4.32 -1.00 -4.12 117.00 117.51 1g9l n LEU 102 Ca 0.01 0.20 -0.10 0.00 -0.02 0.00 0.00 56.01 56.10 1g9l n LEU 102 Cb 0.53 -1.04 0.02 0.00 -1.62 0.00 0.00 43.42 41.31 1g9l n LEU 102 CO 0.35 0.75 0.72 -0.74 -1.22 0.00 0.00 177.39 177.25 1g9l h HIS 103 N -0.20 1.12 -0.51 -1.77 2.76 -0.99 -2.40 115.15 113.15 1g9l h HIS 103 Ca -0.46 -0.24 0.06 0.00 -2.20 0.00 0.00 60.37 57.53 1g9l h HIS 103 Cb 1.85 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 30.51 1g9l h HIS 103 CO 0.06 1.06 0.34 0.00 -1.30 0.00 0.00 177.93 178.09 1g9l h MET 104 N 0.87 0.42 0.00 5.26 -0.00 -1.61 0.54 114.93 120.42 1g9l h MET 104 Ca 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 1g9l h MET 104 Cb 0.72 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 1g9l h MET 104 CO 0.06 0.28 -0.38 1.28 -0.00 0.00 0.00 176.91 178.15 1g9l n LEU 105 N -4.47 0.40 -0.08 -0.10 4.77 -1.09 -1.96 117.00 114.47 1g9l n LEU 105 Ca 0.07 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.26 1g9l n LEU 105 Cb 0.26 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1g9l n LEU 105 CO 0.34 0.07 0.06 -1.84 -1.33 0.00 0.00 177.39 174.70 1g9l n GLU 106 N -1.57 3.20 -3.80 3.23 -0.00 0.15 -4.68 120.64 117.16 1g9l n GLU 106 Ca 0.06 -0.22 -0.14 0.00 -0.00 0.00 0.00 57.16 56.86 1g9l n GLU 106 Cb 0.35 -1.00 -0.15 0.00 -0.00 0.00 0.00 31.44 30.63 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1g9l s SER 107 N -1.72 0.07 0.00 -1.84 0.15 0.17 -5.01 113.70 105.52 1g9l s SER 107 Ca 0.05 0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.83 1g9l s SER 107 Cb 0.08 -0.06 0.63 0.00 -1.71 0.00 0.00 66.02 64.95 1g9l s SER 107 CO 0.35 -0.09 1.11 -0.81 1.20 0.00 0.00 173.24 174.99 1g9l n PRO 108 N 3.89 0.60 0.00 5.44 -0.04 -1.26 -2.17 135.00 141.47 1g9l n PRO 108 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1g9l n PRO 108 Cb 0.53 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g9l n GLU 109 N -0.77 3.75 -0.01 0.54 1.02 -1.26 -4.69 120.64 119.21 1g9l n GLU 109 Ca 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 1g9l n GLU 109 Cb 0.04 -0.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.86 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1g9l h SER 110 N 0.00 0.28 -0.98 1.62 0.02 -1.67 0.34 113.55 113.16 1g9l h SER 110 Ca 0.00 -0.85 0.27 0.00 -0.84 0.00 0.00 61.79 60.36 1g9l h SER 110 Cb 0.00 -0.09 -0.13 0.00 0.14 0.00 0.00 62.40 62.32 1g9l h SER 110 CO 0.00 1.10 0.53 0.25 -1.14 0.00 0.00 176.83 177.58 1g9l h LEU 111 N -0.51 0.53 0.00 5.07 7.12 -1.60 0.41 115.31 126.32 1g9l h LEU 111 Ca -0.06 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1g9l h LEU 111 Cb 1.19 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.42 1g9l h LEU 111 CO 0.07 -0.01 -0.07 -0.09 -0.13 0.00 0.00 178.44 178.21 1g9l h ARG 112 N 0.44 0.00 -0.73 1.25 2.43 -1.83 -2.98 114.38 112.96 1g9l h ARG 112 Ca 0.66 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.99 1g9l h ARG 112 Cb 1.35 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.77 1g9l h ARG 112 CO -0.54 0.00 0.01 0.77 -1.51 0.00 0.00 179.97 178.70 1g9l h SER 113 N -0.39 -0.32 -0.09 -3.80 0.02 -0.17 0.47 113.55 109.26 1g9l h SER 113 Ca 0.00 0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1g9l h SER 113 Cb 0.07 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1g9l h SER 113 CO 0.00 -0.16 -0.10 0.11 -1.14 0.00 0.00 176.83 175.54 1g9l h LYS 114 N 0.11 0.40 0.28 3.45 1.79 -0.35 0.56 116.57 122.80 1g9l h LYS 114 Ca 0.40 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1g9l h LYS 114 Cb 0.69 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1g9l h LYS 114 CO -0.63 0.50 -0.13 0.28 -1.08 0.00 0.00 179.45 178.39 1g9l h VAL 115 N 0.38 0.68 -0.93 0.50 2.07 -0.08 0.48 116.25 119.34 1g9l h VAL 115 Ca 0.08 -0.76 0.14 0.00 0.82 0.00 0.00 66.70 66.97 1g9l h VAL 115 Cb 0.41 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1g9l h VAL 115 CO 0.02 0.14 0.59 -0.78 0.02 0.00 0.00 177.57 177.56 1g9l h ASP 116 N -0.83 0.74 0.66 0.57 1.82 -0.49 0.30 116.42 119.19 1g9l h ASP 116 Ca -0.04 0.05 -0.17 0.00 -0.39 0.00 0.00 57.03 56.48 1g9l h ASP 116 Cb 0.51 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 1g9l h ASP 116 CO 0.06 0.37 -0.79 -0.33 -1.61 0.00 0.00 179.24 176.95 1g9l h GLU 117 N 0.78 0.09 0.00 0.28 5.08 -0.83 -2.81 114.58 117.17 1g9l h GLU 117 Ca 0.47 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1g9l h GLU 117 Cb 0.66 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1g9l h GLU 117 CO -0.23 0.83 -0.07 0.00 -1.00 0.00 0.00 179.01 178.54 1g9l h ALA 118 N 1.15 1.01 -0.06 3.43 0.00 0.34 -2.56 119.26 122.56 1g9l h ALA 118 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1g9l h ALA 118 Cb 1.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1g9l h ALA 118 CO 0.11 0.08 -0.02 0.28 0.00 0.00 0.00 179.25 179.70 1g9l h VAL 119 N 0.00 1.31 -0.04 0.00 2.07 -0.47 0.89 116.25 120.00 1g9l h VAL 119 Ca -0.00 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1g9l h VAL 119 Cb 0.59 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1g9l h VAL 119 CO 0.01 0.27 0.08 0.00 0.02 0.00 0.00 177.57 177.94 1g9l h ALA 120 N 0.65 1.35 0.07 1.67 0.00 -1.45 0.37 119.26 121.91 1g9l h ALA 120 Ca 0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 1g9l h ALA 120 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1g9l h ALA 120 CO 0.01 -0.10 -1.59 0.28 0.00 0.00 0.00 179.25 177.85 1g9l h VAL 121 N 0.00 1.05 -0.27 0.00 2.07 -0.97 -2.83 116.25 115.29 1g9l h VAL 121 Ca 0.02 -2.77 -0.17 0.00 0.82 0.00 0.00 66.70 64.59 1g9l h VAL 121 Cb 0.17 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1g9l h VAL 121 CO -0.00 0.75 -0.52 0.25 0.02 0.00 0.00 177.57 178.07 1g9l h LEU 122 N 0.04 0.86 -1.09 2.57 5.85 0.33 0.65 115.31 124.53 1g9l h LEU 122 Ca -0.26 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 57.92 1g9l h LEU 122 Cb 1.99 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1g9l h LEU 122 CO 0.12 1.22 -0.43 1.56 -0.34 0.00 0.00 178.44 180.58 1g9l h GLN 123 N 0.61 0.00 -0.00 1.25 4.20 -0.53 0.20 115.11 120.83 1g9l h GLN 123 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1g9l h GLN 123 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1g9l h GLN 123 CO 0.11 0.43 -0.28 0.00 -0.67 0.00 0.00 178.83 178.42 1g9l n ALA 124 N -2.41 3.10 0.22 3.87 0.00 -1.05 -3.76 120.51 120.48 1g9l n ALA 124 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.10 1g9l n ALA 124 Cb 0.48 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.74 1g9l n ALA 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g9l n HIS 125 N -0.95 0.00 0.00 0.00 -0.00 0.20 -4.34 115.22 110.12 1g9l n HIS 125 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1g9l n HIS 125 Cb 0.33 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.20 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1g9l n GLN 126 N -0.48 0.00 -0.97 1.57 1.13 0.63 -4.56 117.38 114.70 1g9l n GLN 126 Ca 0.02 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.88 1g9l n GLN 126 Cb 0.10 0.00 0.13 0.00 0.11 0.00 0.00 30.24 30.58 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n ALA 127 N -3.00 4.99 -1.68 -1.58 0.00 -1.26 -4.83 120.51 113.15 1g9l n ALA 127 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1g9l n ALA 127 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1g9l n ALA 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g9l n LYS 128 N -0.72 2.75 -0.40 0.00 5.02 -1.26 -4.95 118.16 118.60 1g9l n LYS 128 Ca 0.46 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.73 1g9l n LYS 128 Cb 1.31 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 36.44 1g9l n LYS 128 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1g9l n GLU 129 N 0.00 2.09 -0.66 1.97 0.00 -1.26 -4.40 120.64 118.37 1g9l n GLU 129 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 57.16 55.86 1g9l n GLU 129 Cb 0.00 -1.66 0.04 0.00 0.00 0.00 0.00 31.44 29.82 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g9l n ALA 130 N 0.09 4.39 0.33 -1.84 0.00 -1.26 -4.37 120.51 117.85 1g9l n ALA 130 Ca 0.16 -1.11 0.06 0.00 0.00 0.00 0.00 53.44 52.55 1g9l n ALA 130 Cb 0.75 -1.23 0.26 0.00 0.00 0.00 0.00 19.45 19.23 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 131 N 0.45 1.45 -2.17 0.00 0.00 -1.26 -4.71 120.51 114.27 1g9l n ALA 131 Ca 0.21 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1g9l n ALA 131 Cb 0.66 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1g9l n ALA 131 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9l s GLN 132 N -3.06 2.98 0.14 0.00 -0.21 -1.26 -5.01 119.66 113.23 1g9l s GLN 132 Ca 0.04 -0.18 0.20 0.00 0.02 0.00 0.00 55.36 55.44 1g9l s GLN 132 Cb 0.07 -2.38 -0.06 0.00 1.00 0.00 0.00 33.01 31.64 1g9l s GLN 132 CO 0.20 -0.54 0.95 0.87 -2.12 0.00 0.00 175.29 174.65 1g9l h LYS 133 N 0.03 0.00 -6.45 2.91 6.56 -2.00 -3.46 116.57 114.16 1g9l h LYS 133 Ca -0.46 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.61 1g9l h LYS 133 Cb 1.25 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.89 1g9l h LYS 133 CO 0.59 0.13 0.28 0.00 -2.06 0.00 0.00 179.45 178.39 1g9l s ALA 134 N -3.17 3.29 -0.15 3.86 0.00 -1.26 -5.05 121.76 119.29 1g9l s ALA 134 Ca -0.02 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 1g9l s ALA 134 Cb 0.09 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1g9l s ALA 134 CO 0.80 0.01 0.05 0.14 0.00 0.00 0.00 175.76 176.76 1g9l s VAL 135 N -0.00 4.71 0.38 0.00 -7.23 -1.26 -5.06 120.40 111.94 1g9l s VAL 135 Ca 0.43 -0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.52 1g9l s VAL 135 Cb -0.22 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 1g9l s VAL 135 CO 0.27 0.52 0.61 0.20 -0.31 0.00 0.00 175.10 176.39 1g9l s ASN 136 N -0.15 6.29 0.00 4.85 -0.87 -1.26 -5.07 114.94 118.74 1g9l s ASN 136 Ca 0.07 0.58 0.00 0.00 -1.57 0.00 0.00 52.86 51.93 1g9l s ASN 136 Cb -0.12 -2.09 0.00 0.00 -0.02 0.00 0.00 41.25 39.02 1g9l s ASN 136 CO 0.01 -0.36 0.00 -0.24 -2.57 0.00 0.00 177.10 173.94 1g9l n SER 137 N -1.89 0.00 -4.84 -1.22 2.88 -1.26 -5.01 113.62 102.28 1g9l n SER 137 Ca -0.03 0.01 -0.32 0.00 -1.33 0.00 0.00 58.87 57.19 1g9l n SER 137 Cb 0.56 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l s ALA 138 N -3.73 3.02 -0.20 -1.46 0.00 -1.26 -5.00 121.76 113.13 1g9l s ALA 138 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1g9l s ALA 138 Cb 0.00 -3.13 -0.21 0.00 0.00 0.00 0.00 23.12 19.77 1g9l s ALA 138 CO 0.00 -0.33 0.03 -2.37 0.00 0.00 0.00 175.76 173.08 1g9l n THR 139 N -1.69 1.50 -1.88 0.00 5.66 -1.26 -4.52 114.28 112.08 1g9l n THR 139 Ca 0.07 -0.70 -0.36 0.00 -3.05 0.00 0.00 64.05 60.01 1g9l n THR 139 Cb 0.54 -1.10 -0.02 0.00 -1.55 0.00 0.00 70.33 68.20 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1g9l n GLY 140 N 1.99 5.02 0.12 1.09 0.00 -1.26 -4.52 105.19 107.64 1g9l n GLY 140 Ca -0.37 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.38 1g9l n GLY 140 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1g9l n VAL 141 N 1.35 1.52 -0.55 1.61 0.31 -1.26 -4.99 118.33 116.31 1g9l n VAL 141 Ca 0.58 -0.17 -0.22 0.00 -0.01 0.00 0.00 64.34 64.53 1g9l n VAL 141 Cb 0.33 -2.03 0.19 0.00 -0.91 0.00 0.00 33.84 31.43 1g9l n VAL 141 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1g9l n PRO 142 N -4.36 -3.25 -1.92 5.55 -0.02 -1.26 -4.86 135.00 124.87 1g9l n PRO 142 Ca -0.39 -1.15 -0.42 0.00 -2.02 0.00 0.00 63.50 59.52 1g9l n PRO 142 Cb 0.73 -1.25 -0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1g9l n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1g9l n THR 143 N -4.58 3.89 0.30 3.45 -2.24 -1.26 -5.19 114.28 108.66 1g9l n THR 143 Ca 0.10 -3.52 0.04 0.00 -2.27 0.00 0.00 64.05 58.40 1g9l n THR 143 Cb 0.42 -2.50 0.03 0.00 -2.10 0.00 0.00 70.33 66.18 1g9l n THR 143 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05