#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 0.63 -0.00 1.61 0.02 -1.26 -5.02 135.00 130.98 1g9l s PRO 2 Ca 0.00 1.35 -0.03 0.00 0.02 0.00 0.00 61.00 62.35 1g9l s PRO 2 Cb 0.00 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.78 1g9l s PRO 2 CO 0.00 -2.83 0.19 -0.51 -0.33 0.00 0.00 177.00 173.52 1g9l s LEU 3 N -6.71 4.37 -0.10 -5.54 1.43 -1.26 -5.10 118.68 105.77 1g9l s LEU 3 Ca 0.67 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 1g9l s LEU 3 Cb -0.23 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1g9l s LEU 3 CO 0.59 0.25 0.25 -0.83 0.23 0.00 0.00 176.35 176.84 1g9l s GLY 4 N -1.99 2.25 0.22 -3.19 0.00 -1.26 -5.09 107.32 98.27 1g9l s GLY 4 Ca 0.28 -0.49 -0.14 0.00 0.00 0.00 0.00 44.72 44.37 1g9l s GLY 4 CO 0.20 -0.01 0.62 -1.35 0.00 0.00 0.00 173.10 172.56 1g9l s SER 5 N -0.58 6.80 -1.08 1.64 1.04 -1.26 -4.37 113.70 115.89 1g9l s SER 5 Ca 0.17 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 57.62 1g9l s SER 5 Cb -0.13 -2.31 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 1g9l s SER 5 CO 0.06 -0.03 0.87 0.00 0.98 0.00 0.00 173.24 175.13 1g9l n ALA 6 N 0.27 -2.51 0.68 5.32 0.00 -1.26 -4.89 120.51 118.12 1g9l n ALA 6 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1g9l n ALA 6 Cb 0.52 -5.18 0.17 0.00 0.00 0.00 0.00 19.45 14.96 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 7 N -3.55 2.54 -2.70 0.00 0.00 -1.26 -4.02 120.51 111.53 1g9l n ALA 7 Ca -0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 53.44 52.63 1g9l n ALA 7 Cb 0.61 -0.98 0.12 0.00 0.00 0.00 0.00 19.45 19.19 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 8 N 0.58 2.77 -1.39 0.00 0.00 -1.26 -5.15 120.51 116.07 1g9l n ALA 8 Ca 0.13 -1.31 0.19 0.00 0.00 0.00 0.00 53.44 52.45 1g9l n ALA 8 Cb 0.38 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 9 N -1.34 -3.58 -3.15 0.00 0.00 -1.26 -4.52 120.51 106.67 1g9l n ALA 9 Ca -0.13 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.59 1g9l n ALA 9 Cb 0.87 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 1g9l n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g9l s THR 10 N -2.26 0.48 0.35 0.00 -4.23 -1.26 -2.95 115.64 105.77 1g9l s THR 10 Ca 0.00 -0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.05 1g9l s THR 10 Cb 0.00 -0.46 -0.09 0.00 1.34 0.00 0.00 72.50 73.29 1g9l s THR 10 CO 0.00 0.17 1.18 -2.84 -0.54 0.00 0.00 174.62 172.59 1g9l s PRO 11 N 0.33 4.30 0.41 3.99 0.02 -1.26 -5.09 135.00 137.71 1g9l s PRO 11 Ca -0.04 1.92 0.22 0.00 0.02 0.00 0.00 61.00 63.12 1g9l s PRO 11 Cb -0.08 -2.92 0.36 0.00 0.02 0.00 0.00 34.50 31.88 1g9l s PRO 11 CO -0.00 -0.13 1.60 0.00 -0.33 0.00 0.00 177.00 178.14 1g9l h ALA 12 N 3.16 0.94 -3.20 -1.55 0.00 -1.76 -3.44 119.26 113.40 1g9l h ALA 12 Ca -0.48 -0.10 -0.64 0.00 0.00 0.00 0.00 54.91 53.69 1g9l h ALA 12 Cb 1.23 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1g9l h ALA 12 CO 0.64 0.13 -0.57 0.14 0.00 0.00 0.00 179.25 179.60 1g9l s VAL 13 N -3.20 4.73 -0.13 0.00 -7.23 -1.26 -5.03 120.40 108.29 1g9l s VAL 13 Ca 0.06 -0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.10 1g9l s VAL 13 Cb 0.06 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 1g9l s VAL 13 CO 0.68 0.52 -0.11 0.03 -0.31 0.00 0.00 175.10 175.90 1g9l h ARG 14 N 6.11 0.00 -5.17 4.82 3.08 -2.02 -3.46 114.38 117.73 1g9l h ARG 14 Ca -0.42 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.02 1g9l h ARG 14 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.10 1g9l h ARG 14 CO 0.65 0.00 -0.47 0.99 -1.07 0.00 0.00 179.97 180.06 1g9l s THR 15 N -2.00 5.36 -0.24 2.04 2.01 -1.26 -5.08 115.64 116.48 1g9l s THR 15 Ca -0.10 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1g9l s THR 15 Cb 0.01 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.04 1g9l s THR 15 CO 0.14 0.36 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 1g9l s VAL 16 N 0.88 2.75 -0.22 3.82 1.01 -1.26 -5.07 120.40 122.31 1g9l s VAL 16 Ca 0.09 -1.03 -0.32 0.00 0.00 0.00 0.00 61.98 60.71 1g9l s VAL 16 Cb -0.13 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1g9l s VAL 16 CO 0.03 0.23 2.11 -2.65 0.00 0.00 0.00 175.10 174.83 1g9l n PRO 17 N 4.65 1.77 -0.09 2.72 -0.02 -1.26 -4.97 135.00 137.82 1g9l n PRO 17 Ca -0.17 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1g9l n PRO 17 Cb 0.47 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1g9l n PRO 17 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1g9l n GLN 18 N 7.98 0.93 -1.72 -0.52 7.27 -1.26 -4.96 117.38 125.10 1g9l n GLN 18 Ca 0.31 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.96 1g9l n GLN 18 Cb 0.34 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.96 1g9l n GLN 18 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1g9l s TYR 19 N 0.01 1.91 0.82 3.69 5.04 -1.26 -4.99 117.35 122.57 1g9l s TYR 19 Ca 0.00 -0.13 -0.05 0.00 -2.44 0.00 0.00 57.07 54.45 1g9l s TYR 19 Cb 0.00 -4.19 0.17 0.00 0.35 0.00 0.00 41.96 38.29 1g9l s TYR 19 CO 0.00 -5.01 1.12 0.21 -1.34 0.00 0.00 175.55 170.53 1g9l s LYS 20 N 3.24 1.18 -0.95 4.97 2.47 -1.26 -4.97 119.74 124.42 1g9l s LYS 20 Ca 0.83 -1.04 -0.05 0.00 -1.56 0.00 0.00 55.97 54.15 1g9l s LYS 20 Cb -0.45 -2.18 0.08 0.00 -1.46 0.00 0.00 37.83 33.82 1g9l s LYS 20 CO 0.38 -1.87 2.59 0.66 0.16 0.00 0.00 175.35 177.27 1g9l n TYR 21 N -3.18 2.12 -2.90 4.03 4.01 -1.26 -4.87 117.16 115.11 1g9l n TYR 21 Ca 0.17 -2.45 -0.44 0.00 -0.16 0.00 0.00 57.90 55.02 1g9l n TYR 21 Cb 0.60 -1.67 -0.01 0.00 -0.31 0.00 0.00 39.34 37.95 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1g9l s ALA 22 N -1.21 3.59 -1.94 -0.72 0.00 -1.26 -4.79 121.76 115.44 1g9l s ALA 22 Ca 0.57 -3.00 0.08 0.00 0.00 0.00 0.00 51.96 49.61 1g9l s ALA 22 Cb 0.27 -4.14 0.22 0.00 0.00 0.00 0.00 23.12 19.47 1g9l s ALA 22 CO -0.14 -2.94 1.17 0.00 0.00 0.00 0.00 175.76 173.85 1g9l n ALA 23 N 6.38 2.49 -0.01 0.00 0.00 -1.26 -4.27 120.51 123.84 1g9l n ALA 23 Ca 0.31 -0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 1g9l n ALA 23 Cb 0.46 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 1g9l n ALA 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1g9l h GLY 24 N 5.42 -0.01 -6.48 0.00 0.00 -2.02 -3.45 103.07 96.53 1g9l h GLY 24 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1g9l h GLY 24 CO 0.01 -0.00 -0.61 0.54 0.00 0.00 0.00 176.54 176.48 1g9l s VAL 25 N -1.24 4.41 -0.55 4.60 0.11 -1.26 -5.07 120.40 121.41 1g9l s VAL 25 Ca -0.00 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 58.72 1g9l s VAL 25 Cb 0.00 -3.00 0.12 0.00 -1.53 0.00 0.00 36.38 31.97 1g9l s VAL 25 CO 0.00 0.43 0.56 -0.13 -3.33 0.00 0.00 175.10 172.62 1g9l s ARG 26 N 0.80 3.01 -0.46 1.54 0.52 -1.26 -5.01 118.95 118.09 1g9l s ARG 26 Ca 0.02 -1.59 -0.16 0.00 -0.52 0.00 0.00 55.73 53.49 1g9l s ARG 26 Cb -0.14 -4.29 0.06 0.00 0.52 0.00 0.00 34.95 31.10 1g9l s ARG 26 CO 0.02 -1.38 0.38 1.21 0.02 0.00 0.00 175.30 175.55 1g9l s ASN 27 N 3.59 6.14 0.00 0.23 2.47 -1.26 -4.99 114.94 121.12 1g9l s ASN 27 Ca 0.05 -1.18 0.00 0.00 0.42 0.00 0.00 52.86 52.15 1g9l s ASN 27 Cb -0.28 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1g9l s ASN 27 CO 0.04 -0.60 0.87 -2.65 -3.72 0.00 0.00 177.10 171.04 1g9l n PRO 28 N 5.24 0.00 -2.05 0.43 -0.02 -1.26 -3.82 135.00 133.52 1g9l n PRO 28 Ca -0.12 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 1g9l n PRO 28 Cb 0.45 -1.42 -0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1g9l n PRO 28 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1g9l n GLN 29 N -1.93 4.07 0.00 -0.52 6.02 -1.26 -4.72 117.38 119.04 1g9l n GLN 29 Ca 0.00 -3.33 0.00 0.00 -0.01 0.00 0.00 57.00 53.66 1g9l n GLN 29 Cb 0.00 -2.79 0.00 0.00 1.02 0.00 0.00 30.24 28.47 1g9l n GLN 29 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1g9l n GLN 30 N 2.90 0.00 0.00 -1.09 7.27 -1.25 -4.92 117.38 120.29 1g9l n GLN 30 Ca 0.55 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.99 1g9l n GLN 30 Cb 0.30 -0.96 0.00 0.00 2.41 0.00 0.00 30.24 31.99 1g9l n GLN 30 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1g9l n HIS 31 N -1.63 0.00 -2.25 3.69 -0.00 -1.26 -5.09 115.22 108.68 1g9l n HIS 31 Ca 0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1g9l n HIS 31 Cb 0.00 0.02 -0.02 0.00 -0.12 0.00 0.00 29.99 29.87 1g9l n HIS 31 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1g9l s LEU 32 N 0.00 3.81 -0.07 0.27 2.96 -1.26 -4.85 118.68 119.54 1g9l s LEU 32 Ca 0.00 1.33 0.21 0.00 -0.22 0.00 0.00 54.13 55.45 1g9l s LEU 32 Cb 0.00 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 42.84 1g9l s LEU 32 CO 0.00 -1.26 0.39 0.59 -1.32 0.00 0.00 176.35 174.75 1g9l n ASN 33 N 8.37 0.02 -4.58 3.68 4.13 -1.26 -4.87 115.26 120.76 1g9l n ASN 33 Ca 0.17 0.01 -0.43 0.00 1.68 0.00 0.00 54.58 56.01 1g9l n ASN 33 Cb 0.46 1.70 -0.04 0.00 -1.54 0.00 0.00 39.78 40.37 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1g9l s ALA 34 N -3.25 3.25 -0.20 5.41 0.00 -1.26 -5.02 121.76 120.70 1g9l s ALA 34 Ca -0.08 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 1g9l s ALA 34 Cb 0.12 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1g9l s ALA 34 CO 0.89 -2.01 0.71 -0.65 0.00 0.00 0.00 175.76 174.70 1g9l s GLN 35 N 3.80 4.22 0.00 0.00 1.11 -1.26 -5.06 119.66 122.47 1g9l s GLN 35 Ca 0.39 0.76 0.00 0.00 0.01 0.00 0.00 55.36 56.51 1g9l s GLN 35 Cb -0.10 -3.59 0.00 0.00 -1.01 0.00 0.00 33.01 28.31 1g9l s GLN 35 CO 0.26 -0.31 0.00 -0.35 0.01 0.00 0.00 175.29 174.90 1g9l n PRO 36 N 5.26 1.87 -2.63 2.91 -0.04 -1.26 -4.92 135.00 136.18 1g9l n PRO 36 Ca 0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 1g9l n PRO 36 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 1g9l n PRO 36 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g9l s GLN 37 N 0.00 4.07 0.17 0.54 -0.21 -1.26 -4.89 119.66 118.08 1g9l s GLN 37 Ca 0.00 1.09 0.26 0.00 0.02 0.00 0.00 55.36 56.73 1g9l s GLN 37 Cb 0.00 -3.74 0.90 0.00 1.00 0.00 0.00 33.01 31.17 1g9l s GLN 37 CO 0.00 -0.90 1.80 1.33 -2.12 0.00 0.00 175.29 175.40 1g9l n VAL 38 N 5.86 0.50 -2.89 1.09 0.24 -1.26 -4.76 118.33 117.11 1g9l n VAL 38 Ca 0.12 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 1g9l n VAL 38 Cb 0.47 -0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 32.19 1g9l n VAL 38 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1g9l s THR 39 N -3.09 4.93 0.19 3.34 2.01 -1.26 -5.04 115.64 116.72 1g9l s THR 39 Ca 0.11 1.68 -0.26 0.00 0.31 0.00 0.00 61.69 63.53 1g9l s THR 39 Cb 0.13 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 1g9l s THR 39 CO 0.57 0.12 0.82 0.00 -0.69 0.00 0.00 174.62 175.44 1g9l s MET 40 N 1.48 4.61 -0.20 4.92 0.23 -1.26 -5.06 119.30 124.02 1g9l s MET 40 Ca 0.41 1.22 -0.06 0.00 -1.03 0.00 0.00 55.69 56.23 1g9l s MET 40 Cb -0.18 -3.21 -0.03 0.00 -1.53 0.00 0.00 34.83 29.88 1g9l s MET 40 CO 0.18 0.53 0.03 1.14 -2.03 0.00 0.00 175.02 174.87 1g9l s GLN 41 N -1.27 3.73 0.04 3.16 -2.07 -1.26 -5.02 119.66 116.97 1g9l s GLN 41 Ca 0.38 -0.46 -0.25 0.00 -1.82 0.00 0.00 55.36 53.21 1g9l s GLN 41 Cb -0.23 -3.16 -0.17 0.00 -1.09 0.00 0.00 33.01 28.35 1g9l s GLN 41 CO 0.27 0.06 1.47 1.96 -1.32 0.00 0.00 175.29 177.73 1g9l h GLN 42 N 7.39 -0.19 0.00 9.60 7.50 -2.07 -3.45 115.11 133.89 1g9l h GLN 42 Ca -0.36 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.80 1g9l h GLN 42 Cb 1.18 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1g9l h GLN 42 CO 0.63 0.05 0.00 -2.30 -1.50 0.00 0.00 178.83 175.71 1g9l n PRO 43 N -5.08 -1.28 -0.96 1.46 -0.02 -1.26 -5.02 135.00 122.85 1g9l n PRO 43 Ca -0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.10 1g9l n PRO 43 Cb 0.18 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 33.90 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l s ALA 44 N -2.63 0.39 -0.18 3.55 0.00 -1.26 -5.00 121.76 116.62 1g9l s ALA 44 Ca 0.00 -0.73 0.17 0.00 0.00 0.00 0.00 51.96 51.40 1g9l s ALA 44 Cb 0.00 -2.98 -0.23 0.00 0.00 0.00 0.00 23.12 19.91 1g9l s ALA 44 CO 0.00 -3.59 0.07 1.55 0.00 0.00 0.00 175.76 173.79 1g9l n VAL 45 N -4.77 1.27 -3.08 0.00 3.14 -1.26 -5.01 118.33 108.63 1g9l n VAL 45 Ca 0.10 -0.79 -0.07 0.00 -2.96 0.00 0.00 64.34 60.62 1g9l n VAL 45 Cb 0.59 -0.50 0.02 0.00 -1.06 0.00 0.00 33.84 32.89 1g9l n VAL 45 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1g9l n HIS 46 N -2.69 -2.58 -3.57 1.45 1.44 -1.26 -5.11 115.22 102.90 1g9l n HIS 46 Ca -0.30 -0.78 -0.34 0.00 -2.01 0.00 0.00 57.72 54.29 1g9l n HIS 46 Cb 1.10 -0.20 -0.05 0.00 0.12 0.00 0.00 29.99 30.96 1g9l n HIS 46 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1g9l s VAL 47 N -0.37 5.09 -0.09 0.61 1.01 -1.26 -5.00 120.40 120.38 1g9l s VAL 47 Ca 0.21 0.40 0.15 0.00 0.00 0.00 0.00 61.98 62.74 1g9l s VAL 47 Cb -0.02 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1g9l s VAL 47 CO 0.13 0.22 0.98 1.56 0.00 0.00 0.00 175.10 178.00 1g9l h GLN 48 N 3.49 0.00 0.00 2.72 4.20 -2.01 -3.35 115.11 120.16 1g9l h GLN 48 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1g9l h GLN 48 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1g9l h GLN 48 CO 0.68 0.43 -1.32 0.41 -0.67 0.00 0.00 178.83 178.36 1g9l n GLY 49 N 1.38 -1.24 2.82 3.46 0.00 -1.26 -4.36 105.19 105.99 1g9l n GLY 49 Ca -0.07 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1g9l n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g9l n GLN 50 N -2.31 3.48 -2.24 1.61 6.02 -1.26 -5.01 117.38 117.68 1g9l n GLN 50 Ca -0.01 -3.93 -0.42 0.00 -0.01 0.00 0.00 57.00 52.64 1g9l n GLN 50 Cb 0.52 -2.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 1g9l n GLN 50 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1g9l s GLU 51 N -4.08 4.32 0.63 -1.09 0.41 -1.26 -4.77 118.70 112.86 1g9l s GLU 51 Ca 0.48 1.97 -0.11 0.00 -0.41 0.00 0.00 54.97 56.91 1g9l s GLU 51 Cb 0.37 -3.41 0.16 0.00 -1.78 0.00 0.00 34.13 29.47 1g9l s GLU 51 CO -0.32 -0.47 0.58 -0.35 -0.49 0.00 0.00 175.26 174.21 1g9l n PRO 52 N 4.57 -2.02 -3.42 0.39 -0.04 -1.26 -5.04 135.00 128.18 1g9l n PRO 52 Ca 0.12 -0.93 -0.33 0.00 -0.04 0.00 0.00 63.50 62.32 1g9l n PRO 52 Cb 0.44 -0.84 -0.05 0.00 -0.04 0.00 0.00 33.50 33.00 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 53 N 0.00 4.23 0.00 1.53 2.96 -1.26 -4.91 118.68 121.23 1g9l s LEU 53 Ca 0.37 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 1g9l s LEU 53 Cb -0.03 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1g9l s LEU 53 CO 0.28 -0.01 0.00 0.35 -1.32 0.00 0.00 176.35 175.65 1g9l n THR 54 N 0.18 0.00 -0.29 3.68 -2.24 -1.26 -4.92 114.28 109.43 1g9l n THR 54 Ca -0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1g9l n THR 54 Cb 0.52 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.04 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g9l h ALA 55 N 2.00 1.63 -0.28 6.98 0.00 -1.62 -1.48 119.26 126.49 1g9l h ALA 55 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g9l h ALA 55 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1g9l h ALA 55 CO 0.00 0.19 0.19 0.77 0.00 0.00 0.00 179.25 180.39 1g9l h SER 56 N 0.90 0.33 -0.66 0.00 0.02 -1.87 -0.45 113.55 111.81 1g9l h SER 56 Ca 0.42 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.39 1g9l h SER 56 Cb 0.41 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1g9l h SER 56 CO -0.18 0.24 0.40 0.24 -1.14 0.00 0.00 176.83 176.39 1g9l h MET 57 N 0.38 0.75 -0.25 3.45 2.07 -1.66 -1.40 114.93 118.27 1g9l h MET 57 Ca 0.10 -0.05 0.03 0.00 -2.07 0.00 0.00 59.70 57.72 1g9l h MET 57 Cb -0.04 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.49 1g9l h MET 57 CO -0.02 0.50 0.06 -0.07 1.07 0.00 0.00 176.91 178.44 1g9l h LEU 58 N 0.77 0.03 0.00 1.22 4.07 -0.80 -0.14 115.31 120.46 1g9l h LEU 58 Ca 0.27 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1g9l h LEU 58 Cb 0.06 0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1g9l h LEU 58 CO -0.12 0.05 0.00 0.00 -1.08 0.00 0.00 178.44 177.28 1g9l n ALA 59 N -2.31 2.01 1.15 1.53 0.00 -0.22 -2.21 120.51 120.46 1g9l n ALA 59 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.46 1g9l n ALA 59 Cb 0.11 -1.28 0.39 0.00 0.00 0.00 0.00 19.45 18.66 1g9l n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g9l n SER 60 N -1.18 0.62 -2.81 0.00 2.88 -0.07 -4.22 113.62 108.84 1g9l n SER 60 Ca 0.10 -0.44 -0.16 0.00 -1.33 0.00 0.00 58.87 57.04 1g9l n SER 60 Cb 0.11 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 61 N -1.13 3.36 -2.80 -1.46 0.00 -0.94 -5.05 120.51 112.49 1g9l n ALA 61 Ca 0.09 -3.51 -0.39 0.00 0.00 0.00 0.00 53.44 49.63 1g9l n ALA 61 Cb 0.33 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.02 3.22 -0.17 0.00 0.04 -1.26 0.11 135.00 133.92 1g9l s PRO 62 Ca 0.36 -0.81 -0.09 0.00 0.04 0.00 0.00 61.00 60.50 1g9l s PRO 62 Cb 0.41 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 1g9l s PRO 62 CO -0.04 -0.50 0.13 -1.25 0.04 0.00 0.00 177.00 175.38 1g9l s PRO 63 N 1.61 3.93 0.00 0.56 0.04 -1.26 -5.11 135.00 134.78 1g9l s PRO 63 Ca 0.04 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1g9l s PRO 63 Cb -0.18 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1g9l s PRO 63 CO 0.07 0.45 0.00 0.94 0.04 0.00 0.00 177.00 178.50 1g9l n GLN 64 N 3.02 0.00 0.00 4.56 -0.06 0.29 -4.95 117.38 120.24 1g9l n GLN 64 Ca -0.17 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 54.96 1g9l n GLN 64 Cb 0.53 0.00 0.32 0.00 -4.06 0.00 0.00 30.24 27.03 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1g9l n GLU 65 N -0.27 1.77 -0.11 3.69 -0.58 -0.98 -4.29 120.64 119.87 1g9l n GLU 65 Ca 0.00 -1.25 -0.05 0.00 -0.42 0.00 0.00 57.16 55.44 1g9l n GLU 65 Cb 0.00 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.41 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1g9l h GLN 66 N 3.04 0.02 -0.87 3.49 -0.00 -1.67 0.11 115.11 119.24 1g9l h GLN 66 Ca 0.00 -0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 58.09 1g9l h GLN 66 Cb 0.69 -0.01 -0.29 0.00 0.00 0.00 0.00 27.48 27.87 1g9l h GLN 66 CO 0.00 0.02 0.41 0.36 0.00 0.00 0.00 178.83 179.61 1g9l n LYS 67 N -5.26 2.63 0.08 1.69 -0.00 -1.26 -4.36 118.16 111.69 1g9l n LYS 67 Ca 0.02 -3.37 0.00 0.00 -0.00 0.00 0.00 58.31 54.96 1g9l n LYS 67 Cb 0.20 -2.20 0.00 0.00 -0.00 0.00 0.00 35.03 33.03 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1g9l n GLN 68 N -0.96 0.00 -0.07 -1.58 -0.06 -0.50 -4.87 117.38 109.34 1g9l n GLN 68 Ca 0.55 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.55 1g9l n GLN 68 Cb 0.98 -0.06 0.03 0.00 -4.06 0.00 0.00 30.24 27.12 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1g9l n MET 69 N -3.14 1.23 0.07 3.69 0.00 0.27 -3.74 117.12 115.51 1g9l n MET 69 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 57.70 57.26 1g9l n MET 69 Cb 0.00 -1.44 -0.15 0.00 0.00 0.00 0.00 33.22 31.64 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 0.47 0.56 -3.43 3.17 -0.00 -1.76 -3.35 115.31 110.98 1g9l h LEU 70 Ca 0.01 -0.94 -0.19 0.00 -0.00 0.00 0.00 57.88 56.76 1g9l h LEU 70 Cb 0.74 -0.18 -0.39 0.00 -0.00 0.00 0.00 40.66 40.83 1g9l h LEU 70 CO 0.05 1.46 -1.04 0.61 -0.00 0.00 0.00 178.44 179.52 1g9l n GLY 71 N 1.66 1.13 0.00 0.17 0.00 -1.25 -4.65 105.19 102.24 1g9l n GLY 71 Ca -0.14 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.28 0.00 0.00 1.61 1.02 -1.25 -3.51 120.64 118.80 1g9l n GLU 72 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1g9l n GLU 72 Cb 1.08 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 32.39 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 0.00 3.46 0.14 3.49 0.00 -1.26 -4.68 116.66 117.81 1g9l n ARG 73 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1g9l n ARG 73 Cb 0.05 -0.54 0.44 0.00 0.00 0.00 0.00 32.46 32.42 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 0.00 -0.40 6.15 3.38 -1.83 -3.34 115.31 119.27 1g9l h LEU 74 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1g9l h LEU 74 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1g9l h LEU 74 CO 0.00 0.00 -0.41 0.15 0.09 0.00 0.00 178.44 178.27 1g9l h PHE 75 N 0.00 -1.17 0.00 1.13 3.57 -1.91 0.41 116.94 118.96 1g9l h PHE 75 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1g9l h PHE 75 Cb 0.60 0.57 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1g9l h PHE 75 CO 0.00 -0.43 0.00 -2.30 -2.23 0.00 0.00 178.31 173.35 1g9l n PRO 76 N -5.42 0.06 -0.08 6.41 -0.02 -1.25 -1.51 135.00 133.19 1g9l n PRO 76 Ca -0.00 0.55 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1g9l n PRO 76 Cb 0.35 -1.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.99 1g9l n PRO 76 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g9l n LEU 77 N -1.81 0.14 -0.15 2.45 7.99 0.12 -4.38 117.00 121.36 1g9l n LEU 77 Ca -0.00 0.06 -0.06 0.00 -0.01 0.00 0.00 56.01 56.00 1g9l n LEU 77 Cb 0.02 0.41 0.11 0.00 -0.11 0.00 0.00 43.42 43.85 1g9l n LEU 77 CO 0.04 0.43 0.87 0.40 -1.51 0.00 0.00 177.39 177.62 1g9l h ILE 78 N 0.00 1.25 0.00 -0.08 1.08 0.24 -2.01 117.51 117.99 1g9l h ILE 78 Ca -0.46 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 1g9l h ILE 78 Cb 2.10 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1g9l h ILE 78 CO 0.03 0.38 0.35 1.56 -0.69 0.00 0.00 178.15 179.79 1g9l h GLN 79 N 0.84 0.00 0.15 2.37 4.20 -1.75 0.43 115.11 121.36 1g9l h GLN 79 Ca 0.16 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.55 1g9l h GLN 79 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1g9l h GLN 79 CO 0.02 0.00 -1.56 0.00 -0.67 0.00 0.00 178.83 176.62 1g9l h ALA 80 N 1.20 0.17 -0.02 3.87 0.00 -1.61 -3.24 119.26 119.64 1g9l h ALA 80 Ca 0.00 -1.07 -0.22 0.00 0.00 0.00 0.00 54.91 53.63 1g9l h ALA 80 Cb 0.71 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1g9l h ALA 80 CO 0.00 1.04 -0.88 0.52 0.00 0.00 0.00 179.25 179.93 1g9l h MET 81 N 0.09 0.42 -5.78 0.00 2.86 -0.24 -3.46 114.93 108.82 1g9l h MET 81 Ca -0.26 -0.42 -0.49 0.00 -2.06 0.00 0.00 59.70 56.47 1g9l h MET 81 Cb 2.05 0.11 -0.17 0.00 0.06 0.00 0.00 31.60 33.65 1g9l h MET 81 CO 0.18 1.08 -0.77 -1.01 1.06 0.00 0.00 176.91 177.45 1g9l s HIS 82 N -3.37 1.72 -0.58 -0.22 4.02 -0.46 -5.04 115.29 111.37 1g9l s HIS 82 Ca -0.06 -0.50 -0.28 0.00 1.02 0.00 0.00 55.06 55.24 1g9l s HIS 82 Cb 0.09 -0.86 -0.28 0.00 -1.02 0.00 0.00 32.58 30.52 1g9l s HIS 82 CO 0.86 0.30 1.84 -2.30 1.02 0.00 0.00 174.74 176.46 1g9l n PRO 83 N 0.23 0.39 -2.69 8.40 -0.02 -1.26 -3.79 135.00 136.25 1g9l n PRO 83 Ca -0.13 -1.49 -0.12 0.00 -2.02 0.00 0.00 63.50 59.73 1g9l n PRO 83 Cb 0.58 -3.16 -0.01 0.00 -0.02 0.00 0.00 33.50 30.89 1g9l n PRO 83 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1g9l n THR 84 N 7.66 -0.54 1.69 3.45 -2.24 -1.22 -4.78 114.28 118.30 1g9l n THR 84 Ca 0.45 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.32 1g9l n THR 84 Cb 0.44 -1.35 0.43 0.00 -2.10 0.00 0.00 70.33 67.74 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g9l n LEU 85 N -2.96 0.64 0.00 3.22 4.77 -1.25 -4.78 117.00 116.64 1g9l n LEU 85 Ca -0.08 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1g9l n LEU 85 Cb 0.57 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1g9l n LEU 85 CO 0.22 0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 1g9l n ALA 86 N -0.34 0.00 0.00 -1.18 0.00 -1.26 -4.58 120.51 113.15 1g9l n ALA 86 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1g9l n ALA 86 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.97 2.91 0.00 0.00 0.00 -1.26 -4.29 105.19 104.52 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 1.10 0.00 1.61 4.81 -1.26 -4.92 118.16 117.50 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1g9l n LYS 88 Cb 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 34.95 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1g9l n ILE 89 N -0.04 0.00 -0.36 3.15 5.41 -1.26 0.17 119.36 126.43 1g9l n ILE 89 Ca 0.00 0.94 0.08 0.00 1.00 0.00 0.00 62.75 64.77 1g9l n ILE 89 Cb 0.00 -1.70 0.26 0.00 -0.71 0.00 0.00 39.64 37.49 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 -0.17 1.39 2.02 -1.91 0.71 112.91 115.85 1g9l h THR 90 Ca 0.00 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1g9l h THR 90 Cb 0.00 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.26 1g9l h THR 90 CO 0.00 0.17 0.14 1.23 0.37 0.00 0.00 175.52 177.43 1g9l h GLY 91 N 0.96 0.00 1.37 2.16 0.00 -1.56 0.15 103.07 106.14 1g9l h GLY 91 Ca 0.50 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.57 1g9l h GLY 91 CO -0.27 0.00 -1.08 1.98 0.00 0.00 0.00 176.54 177.17 1g9l h MET 92 N 0.00 0.55 0.00 4.80 -1.53 0.78 -3.14 114.93 116.39 1g9l h MET 92 Ca 0.08 -0.65 0.00 0.00 -3.44 0.00 0.00 59.70 55.69 1g9l h MET 92 Cb 0.35 0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.60 1g9l h MET 92 CO -0.00 1.26 0.03 1.28 0.14 0.00 0.00 176.91 179.62 1g9l n LEU 93 N -3.77 0.00 -1.34 3.39 7.99 0.51 0.13 117.00 123.90 1g9l n LEU 93 Ca -0.10 0.26 -0.05 0.00 -0.01 0.00 0.00 56.01 56.11 1g9l n LEU 93 Cb 0.90 -0.26 0.22 0.00 -0.11 0.00 0.00 43.42 44.17 1g9l n LEU 93 CO 0.55 -0.26 0.81 0.18 -1.51 0.00 0.00 177.39 177.16 1g9l n LEU 94 N -1.24 4.64 0.00 2.23 7.99 -1.13 -3.99 117.00 125.49 1g9l n LEU 94 Ca 0.00 -3.56 0.00 0.00 -0.01 0.00 0.00 56.01 52.44 1g9l n LEU 94 Cb 0.03 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 42.68 1g9l n LEU 94 CO 0.00 1.08 0.00 -1.84 -1.51 0.00 0.00 177.39 175.12 1g9l n GLU 95 N -0.93 0.00 0.00 3.23 0.28 0.34 -5.09 120.64 118.46 1g9l n GLU 95 Ca 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1g9l n GLU 95 Cb 1.13 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.00 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 -4.66 119.36 118.75 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 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 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 2.03 -1.26 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1g9l n ASP 97 Cb 0.00 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 1g9l n ASP 97 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1g9l n ASN 98 N -1.15 0.00 0.20 1.67 0.23 -1.26 -4.64 115.26 110.30 1g9l n ASN 98 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 1g9l n ASN 98 Cb 0.00 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.10 1g9l n ASN 98 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1g9l h SER 99 N 0.00 0.00 1.35 0.53 0.87 -1.98 -0.20 113.55 114.12 1g9l h SER 99 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 1g9l h SER 99 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1g9l h SER 99 CO 0.00 0.34 -0.61 -0.33 -0.53 0.00 0.00 176.83 175.70 1g9l h GLU 100 N 0.00 0.00 0.00 2.24 5.08 -1.93 -0.18 114.58 119.80 1g9l h GLU 100 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1g9l h GLU 100 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1g9l h GLU 100 CO 0.04 0.61 -0.53 1.25 -1.00 0.00 0.00 179.01 179.39 1g9l h LEU 101 N 0.00 0.00 0.06 1.33 5.85 -1.46 -1.79 115.31 119.30 1g9l h LEU 101 Ca -0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1g9l h LEU 101 Cb 1.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1g9l h LEU 101 CO 0.08 0.53 -1.07 -0.07 -0.34 0.00 0.00 178.44 177.57 1g9l h LEU 102 N 0.00 0.19 -0.58 2.25 4.07 -0.96 -3.33 115.31 116.95 1g9l h LEU 102 Ca -0.01 -0.78 -0.11 0.00 0.08 0.00 0.00 57.88 57.06 1g9l h LEU 102 Cb 1.15 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 1g9l h LEU 102 CO 0.07 1.45 -0.08 -0.74 -1.08 0.00 0.00 178.44 178.07 1g9l h HIS 103 N -0.65 1.17 -0.62 1.13 2.76 -1.11 -2.61 115.15 115.22 1g9l h HIS 103 Ca -0.25 -0.23 0.09 0.00 -2.20 0.00 0.00 60.37 57.78 1g9l h HIS 103 Cb 1.47 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 30.10 1g9l h HIS 103 CO 0.15 1.06 0.41 0.00 -1.30 0.00 0.00 177.93 178.25 1g9l h MET 104 N 0.94 0.45 0.00 5.26 -0.00 -1.49 0.35 114.93 120.44 1g9l h MET 104 Ca 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 1g9l h MET 104 Cb 0.65 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 1g9l h MET 104 CO 0.04 0.30 -0.37 1.28 -0.00 0.00 0.00 176.91 178.17 1g9l n LEU 105 N -4.47 0.56 -0.47 -0.10 4.77 -1.10 -2.84 117.00 113.35 1g9l n LEU 105 Ca 0.10 0.29 0.07 0.00 -0.03 0.00 0.00 56.01 56.44 1g9l n LEU 105 Cb 0.35 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1g9l n LEU 105 CO 0.34 -0.03 0.38 -1.84 -1.33 0.00 0.00 177.39 174.90 1g9l n GLU 106 N -1.91 1.38 -3.72 3.23 -0.00 0.55 -4.75 120.64 115.42 1g9l n GLU 106 Ca 0.05 -1.09 -0.12 0.00 -0.00 0.00 0.00 57.16 56.00 1g9l n GLU 106 Cb 0.40 -1.25 -0.11 0.00 -0.00 0.00 0.00 31.44 30.48 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 -1.42 -0.43 0.00 -1.84 0.15 0.93 -5.01 113.70 106.07 1g9l s SER 107 Ca 0.15 0.77 0.13 0.00 0.70 0.00 0.00 55.95 57.70 1g9l s SER 107 Cb 0.12 0.68 0.76 0.00 -1.71 0.00 0.00 66.02 65.87 1g9l s SER 107 CO 0.25 -0.17 1.26 -2.65 1.20 0.00 0.00 173.24 173.13 1g9l n PRO 108 N 3.89 0.35 -0.01 5.44 -0.02 -1.26 -2.14 135.00 141.25 1g9l n PRO 108 Ca -0.21 0.05 -0.01 0.00 -2.02 0.00 0.00 63.50 61.30 1g9l n PRO 108 Cb 0.55 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.51 1g9l n PRO 108 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1g9l n GLU 109 N -1.08 3.29 -0.25 -0.52 0.28 -1.26 -4.64 120.64 116.45 1g9l n GLU 109 Ca 0.09 -0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.03 1g9l n GLU 109 Cb 0.06 -1.08 0.05 0.00 1.43 0.00 0.00 31.44 31.90 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1g9l h SER 110 N 0.00 0.88 -0.01 -1.84 0.02 -1.67 0.96 113.55 111.88 1g9l h SER 110 Ca -0.08 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1g9l h SER 110 Cb 1.13 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1g9l h SER 110 CO 0.00 0.75 0.01 0.25 -1.14 0.00 0.00 176.83 176.71 1g9l h LEU 111 N 0.95 0.00 0.00 5.07 6.46 -1.63 0.16 115.31 126.32 1g9l h LEU 111 Ca 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1g9l h LEU 111 Cb 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1g9l h LEU 111 CO -0.03 0.00 -0.31 0.54 -0.62 0.00 0.00 178.44 178.02 1g9l n ARG 112 N -3.86 0.19 -0.48 1.25 1.74 -0.29 -2.39 116.66 112.82 1g9l n ARG 112 Ca -0.03 0.20 0.39 0.00 -0.77 0.00 0.00 57.85 57.64 1g9l n ARG 112 Cb 0.10 -0.97 0.69 0.00 -1.02 0.00 0.00 32.46 31.26 1g9l n ARG 112 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1g9l h SER 113 N -0.39 0.17 0.16 0.55 0.02 0.84 0.89 113.55 115.79 1g9l h SER 113 Ca 0.00 0.09 -0.25 0.00 -0.84 0.00 0.00 61.79 60.79 1g9l h SER 113 Cb 0.31 0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.95 1g9l h SER 113 CO 0.00 -0.10 -1.14 0.11 -1.14 0.00 0.00 176.83 174.56 1g9l h LYS 114 N 0.08 0.34 0.85 3.45 1.79 -0.83 -3.02 116.57 119.22 1g9l h LYS 114 Ca 0.80 -0.58 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 1g9l h LYS 114 Cb 2.73 0.21 0.01 0.00 -1.58 0.00 0.00 32.23 33.61 1g9l h LYS 114 CO -0.27 1.28 -0.41 0.28 -1.08 0.00 0.00 179.45 179.25 1g9l h VAL 115 N -0.23 0.16 -0.91 0.50 2.07 0.89 0.92 116.25 119.64 1g9l h VAL 115 Ca -0.21 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.48 1g9l h VAL 115 Cb 1.80 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 31.62 1g9l h VAL 115 CO 0.15 0.00 0.48 0.44 0.02 0.00 0.00 177.57 178.67 1g9l h ASP 116 N -1.15 0.55 0.57 0.57 5.19 -0.22 0.48 116.42 122.41 1g9l h ASP 116 Ca -0.12 0.11 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 1g9l h ASP 116 Cb 0.88 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 1g9l h ASP 116 CO 0.19 0.16 -0.67 -0.33 -3.12 0.00 0.00 179.24 175.47 1g9l h GLU 117 N 0.59 0.09 0.00 3.56 5.08 -1.36 -2.71 114.58 119.83 1g9l h GLU 117 Ca 0.53 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.76 1g9l h GLU 117 Cb 0.88 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1g9l h GLU 117 CO -0.42 0.72 -0.32 0.00 -1.00 0.00 0.00 179.01 177.99 1g9l h ALA 118 N 1.26 1.24 0.28 3.43 0.00 0.53 -2.74 119.26 123.27 1g9l h ALA 118 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1g9l h ALA 118 Cb 1.19 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1g9l h ALA 118 CO 0.09 0.40 -0.16 0.28 0.00 0.00 0.00 179.25 179.86 1g9l h VAL 119 N 0.00 0.66 -0.21 0.00 2.07 -0.26 0.70 116.25 119.22 1g9l h VAL 119 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1g9l h VAL 119 Cb 0.66 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1g9l h VAL 119 CO 0.04 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.96 1g9l h ALA 120 N 0.29 1.75 0.02 1.67 0.00 -1.46 0.56 119.26 122.09 1g9l h ALA 120 Ca -0.03 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1g9l h ALA 120 Cb 0.34 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1g9l h ALA 120 CO 0.04 -0.44 -1.50 0.28 0.00 0.00 0.00 179.25 177.63 1g9l h VAL 121 N 0.00 1.11 -0.08 0.00 2.07 -0.74 -2.90 116.25 115.71 1g9l h VAL 121 Ca 0.10 -2.90 -0.22 0.00 0.82 0.00 0.00 66.70 64.50 1g9l h VAL 121 Cb 0.76 2.58 0.01 0.00 -1.52 0.00 0.00 31.29 33.13 1g9l h VAL 121 CO -0.00 0.67 -0.79 0.17 0.02 0.00 0.00 177.57 177.64 1g9l h LEU 122 N 0.01 0.83 -1.05 2.57 8.10 0.52 -1.50 115.31 124.80 1g9l h LEU 122 Ca -0.21 -0.68 -0.09 0.00 0.11 0.00 0.00 57.88 57.01 1g9l h LEU 122 Cb 1.95 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 41.90 1g9l h LEU 122 CO 0.10 1.39 -0.44 0.06 -4.11 0.00 0.00 178.44 175.44 1g9l h GLN 123 N 0.34 0.00 0.02 0.17 3.07 -0.65 0.14 115.11 118.20 1g9l h GLN 123 Ca -0.08 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.44 1g9l h GLN 123 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.00 1g9l h GLN 123 CO 0.16 0.44 -0.96 0.00 0.09 0.00 0.00 178.83 178.56 1g9l h ALA 124 N 1.56 0.39 0.03 0.06 0.00 -1.45 -2.67 119.26 117.16 1g9l h ALA 124 Ca -0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 54.91 53.93 1g9l h ALA 124 Cb 0.85 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1g9l h ALA 124 CO 0.06 0.90 -1.22 1.25 0.00 0.00 0.00 179.25 180.24 1g9l h HIS 125 N 0.14 0.10 0.65 0.00 2.76 -1.11 -3.09 115.15 114.60 1g9l h HIS 125 Ca -0.07 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 1g9l h HIS 125 Cb 1.62 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.56 1g9l h HIS 125 CO 0.05 1.48 -0.47 1.96 -1.30 0.00 0.00 177.93 179.65 1g9l h GLN 126 N -0.82 -1.03 -3.06 5.26 1.08 -0.87 -3.06 115.11 112.62 1g9l h GLN 126 Ca -0.32 0.07 -0.79 0.00 -1.45 0.00 0.00 58.65 56.17 1g9l h GLN 126 Cb 1.40 0.23 -0.23 0.00 -0.05 0.00 0.00 27.48 28.83 1g9l h GLN 126 CO -0.13 -0.69 1.33 0.00 -0.95 0.00 0.00 178.83 178.39 1g9l n ALA 127 N -2.72 5.40 -1.73 3.87 0.00 -1.01 -4.98 120.51 119.35 1g9l n ALA 127 Ca -0.13 -4.59 -0.39 0.00 0.00 0.00 0.00 53.44 48.34 1g9l n ALA 127 Cb 0.46 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 1g9l n ALA 127 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1g9l s LYS 128 N -1.71 2.53 0.00 0.00 -0.14 -1.16 -4.58 119.74 114.68 1g9l s LYS 128 Ca 0.36 1.33 0.13 0.00 -1.36 0.00 0.00 55.97 56.43 1g9l s LYS 128 Cb 0.08 -4.46 0.47 0.00 -1.68 0.00 0.00 37.83 32.24 1g9l s LYS 128 CO 0.05 -2.80 1.35 -1.91 -0.76 0.00 0.00 175.35 171.28 1g9l n GLU 129 N 8.95 1.61 0.00 1.68 2.13 -1.26 -3.62 120.64 130.14 1g9l n GLU 129 Ca 0.30 -0.94 0.14 0.00 0.66 0.00 0.00 57.16 57.32 1g9l n GLU 129 Cb 0.52 -1.28 0.52 0.00 0.27 0.00 0.00 31.44 31.47 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g9l n ALA 130 N 0.22 2.89 -1.85 4.31 0.00 -1.26 -4.80 120.51 120.02 1g9l n ALA 130 Ca 0.12 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 1g9l n ALA 130 Cb 0.25 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 131 N -2.53 1.78 -0.02 0.00 0.00 -1.24 -4.77 121.76 114.98 1g9l s ALA 131 Ca 0.26 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1g9l s ALA 131 Cb 0.20 -4.38 -0.01 0.00 0.00 0.00 0.00 23.12 18.92 1g9l s ALA 131 CO 0.50 -4.41 -0.05 1.04 0.00 0.00 0.00 175.76 172.85 1g9l n GLN 132 N 9.05 0.07 -1.30 0.00 1.13 -1.26 -4.62 117.38 120.45 1g9l n GLN 132 Ca 0.31 0.06 -0.22 0.00 -1.94 0.00 0.00 57.00 55.21 1g9l n GLN 132 Cb 0.51 -0.66 -0.10 0.00 0.11 0.00 0.00 30.24 30.10 1g9l n GLN 132 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1g9l n LYS 133 N -2.75 2.49 -1.58 -1.09 5.02 -1.26 -4.73 118.16 114.27 1g9l n LYS 133 Ca -0.02 -1.82 -0.32 0.00 -2.02 0.00 0.00 58.31 54.13 1g9l n LYS 133 Cb 0.07 -2.17 -0.05 0.00 -0.02 0.00 0.00 35.03 32.86 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g9l n ALA 134 N 1.87 6.81 0.13 7.82 0.00 -1.26 -4.29 120.51 131.59 1g9l n ALA 134 Ca 0.50 -3.37 0.11 0.00 0.00 0.00 0.00 53.44 50.68 1g9l n ALA 134 Cb 0.67 -2.66 -0.14 0.00 0.00 0.00 0.00 19.45 17.32 1g9l n ALA 134 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1g9l n VAL 135 N 1.97 0.07 1.41 0.00 3.14 -1.26 -4.11 118.33 119.55 1g9l n VAL 135 Ca 0.59 -0.44 0.05 0.00 -2.96 0.00 0.00 64.34 61.58 1g9l n VAL 135 Cb 0.42 0.08 0.19 0.00 -1.06 0.00 0.00 33.84 33.48 1g9l n VAL 135 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1g9l n ASN 136 N -2.21 1.05 -4.54 6.55 6.94 -1.26 -4.69 115.26 117.10 1g9l n ASN 136 Ca -0.03 -1.88 -0.42 0.00 -0.02 0.00 0.00 54.58 52.23 1g9l n ASN 136 Cb 0.54 -0.11 -0.02 0.00 -2.36 0.00 0.00 39.78 37.82 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1g9l s SER 137 N -1.16 6.65 0.13 0.53 0.01 -1.26 -4.81 113.70 113.79 1g9l s SER 137 Ca 0.18 -1.91 -0.13 0.00 1.31 0.00 0.00 55.95 55.40 1g9l s SER 137 Cb 0.09 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 1g9l s SER 137 CO 0.13 -1.29 1.54 0.00 0.41 0.00 0.00 173.24 174.03 1g9l h ALA 138 N 8.90 0.58 -3.09 1.44 0.00 -1.95 -3.42 119.26 121.71 1g9l h ALA 138 Ca 0.26 -0.33 -0.61 0.00 0.00 0.00 0.00 54.91 54.23 1g9l h ALA 138 Cb 0.97 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1g9l h ALA 138 CO 1.36 0.47 -0.44 0.95 0.00 0.00 0.00 179.25 181.59 1g9l s THR 139 N -4.77 5.39 0.00 0.00 -4.23 -1.26 -5.03 115.64 105.73 1g9l s THR 139 Ca -0.12 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1g9l s THR 139 Cb 0.11 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1g9l s THR 139 CO 0.83 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.98 1g9l n GLY 140 N 3.14 0.07 3.57 3.99 0.00 -1.26 -4.90 105.19 109.81 1g9l n GLY 140 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1g9l n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g9l s VAL 141 N -0.17 4.57 0.53 1.61 1.01 -1.26 -4.92 120.40 121.77 1g9l s VAL 141 Ca 0.00 0.83 0.21 0.00 0.00 0.00 0.00 61.98 63.02 1g9l s VAL 141 Cb 0.00 -4.35 0.33 0.00 0.00 0.00 0.00 36.38 32.36 1g9l s VAL 141 CO 0.00 -0.68 2.09 -0.65 0.00 0.00 0.00 175.10 175.86 1g9l h PRO 142 N 8.82 0.00 -1.87 2.72 0.11 -2.04 -2.59 132.00 137.15 1g9l h PRO 142 Ca -0.24 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.59 1g9l h PRO 142 Cb 1.08 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.09 1g9l h PRO 142 CO 0.99 0.00 0.13 0.25 -0.21 0.00 0.00 178.00 179.15 1g9l n THR 143 N -4.41 2.83 0.00 -1.15 -2.24 -1.26 -5.24 114.28 102.80 1g9l n THR 143 Ca 0.02 -1.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1g9l n THR 143 Cb 0.32 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1g9l n THR 143 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05