#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l n PRO 2 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.34 135.00 130.97 1g9l n PRO 2 Ca 0.00 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1g9l n PRO 2 Cb 0.00 -0.97 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 1g9l n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1g9l n LEU 3 N -0.84 2.64 -4.93 1.53 7.99 -1.26 -4.96 117.00 117.17 1g9l n LEU 3 Ca 0.00 -0.91 -0.26 0.00 -0.01 0.00 0.00 56.01 54.84 1g9l n LEU 3 Cb 0.00 -0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.29 1g9l n LEU 3 CO 0.00 0.45 0.15 -0.83 -1.51 0.00 0.00 177.39 175.65 1g9l s GLY 4 N -2.16 1.54 0.45 -0.72 0.00 -1.26 -5.10 107.32 100.07 1g9l s GLY 4 Ca 0.25 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 1g9l s GLY 4 CO 0.39 -0.75 0.71 -1.35 0.00 0.00 0.00 173.10 172.10 1g9l s SER 5 N -3.67 6.12 -1.08 1.64 1.04 -1.26 -4.36 113.70 112.12 1g9l s SER 5 Ca 0.40 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 57.38 1g9l s SER 5 Cb -0.10 -2.00 0.24 0.00 0.10 0.00 0.00 66.02 64.26 1g9l s SER 5 CO 0.33 -0.57 1.13 0.00 0.98 0.00 0.00 173.24 175.11 1g9l s ALA 6 N -2.62 4.43 0.21 5.32 0.00 -1.26 -4.42 121.76 123.42 1g9l s ALA 6 Ca 0.46 -3.62 0.00 0.00 0.00 0.00 0.00 51.96 48.80 1g9l s ALA 6 Cb -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1g9l s ALA 6 CO 0.41 -2.37 0.00 0.00 0.00 0.00 0.00 175.76 173.80 1g9l n ALA 7 N 3.70 0.00 0.07 0.00 0.00 -1.26 -4.88 120.51 118.13 1g9l n ALA 7 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 1g9l n ALA 7 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l h ALA 8 N 0.00 0.16 -2.69 0.00 0.00 -2.03 -3.48 119.26 111.22 1g9l h ALA 8 Ca 0.00 -0.73 0.12 0.00 0.00 0.00 0.00 54.91 54.30 1g9l h ALA 8 Cb 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1g9l h ALA 8 CO 0.00 0.74 0.35 0.00 0.00 0.00 0.00 179.25 180.34 1g9l s ALA 9 N -3.18 -1.43 -0.24 0.00 0.00 -1.26 -5.08 121.76 110.56 1g9l s ALA 9 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1g9l s ALA 9 Cb 0.07 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1g9l s ALA 9 CO 0.91 -1.04 0.02 2.41 0.00 0.00 0.00 175.76 178.06 1g9l n THR 10 N -0.46-10.32 -1.40 0.00 -1.04 -1.26 -4.54 114.28 95.26 1g9l n THR 10 Ca -0.05 1.68 -0.34 0.00 -2.04 0.00 0.00 64.05 63.30 1g9l n THR 10 Cb 0.60 -6.20 0.10 0.00 -1.82 0.00 0.00 70.33 63.01 1g9l n THR 10 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1g9l s PRO 11 N -1.44 2.09 -0.19 -2.82 0.04 -1.26 -4.28 135.00 127.15 1g9l s PRO 11 Ca -0.02 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1g9l s PRO 11 Cb 0.00 -1.83 0.20 0.00 0.04 0.00 0.00 34.50 32.91 1g9l s PRO 11 CO 0.65 -1.87 1.61 0.00 0.04 0.00 0.00 177.00 177.43 1g9l n ALA 12 N -2.78 4.10 -2.90 8.56 0.00 -1.26 -4.43 120.51 121.79 1g9l n ALA 12 Ca 0.13 -1.10 -0.33 0.00 0.00 0.00 0.00 53.44 52.15 1g9l n ALA 12 Cb 0.50 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 1g9l n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1g9l s VAL 13 N -1.37 5.38 -0.36 0.00 1.01 -1.26 -5.06 120.40 118.73 1g9l s VAL 13 Ca 0.21 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1g9l s VAL 13 Cb 0.17 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1g9l s VAL 13 CO 0.02 0.27 0.40 -0.13 0.00 0.00 0.00 175.10 175.66 1g9l s ARG 14 N -2.10 3.47 -0.02 2.72 0.52 -1.26 -5.05 118.95 117.22 1g9l s ARG 14 Ca 0.29 -0.45 -0.11 0.00 -0.52 0.00 0.00 55.73 54.94 1g9l s ARG 14 Cb -0.13 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 1g9l s ARG 14 CO 0.21 -0.62 0.33 0.99 0.02 0.00 0.00 175.30 176.23 1g9l s THR 15 N 2.11 5.18 0.04 0.02 2.01 -1.26 -5.09 115.64 118.66 1g9l s THR 15 Ca 0.13 0.58 -0.17 0.00 0.31 0.00 0.00 61.69 62.53 1g9l s THR 15 Cb -0.16 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 1g9l s THR 15 CO 0.12 0.54 0.50 0.68 -0.69 0.00 0.00 174.62 175.78 1g9l s VAL 16 N -1.12 4.85 0.07 3.82 -7.23 -1.26 -5.02 120.40 114.51 1g9l s VAL 16 Ca 0.23 1.07 -0.35 0.00 -1.81 0.00 0.00 61.98 61.12 1g9l s VAL 16 Cb -0.15 -3.82 -0.19 0.00 0.56 0.00 0.00 36.38 32.77 1g9l s VAL 16 CO 0.12 0.57 1.60 -0.65 -0.31 0.00 0.00 175.10 176.43 1g9l h PRO 17 N 4.60 -1.04 -6.59 4.82 0.11 -1.98 -3.43 132.00 128.49 1g9l h PRO 17 Ca -0.50 0.07 -0.52 0.00 0.11 0.00 0.00 66.00 65.16 1g9l h PRO 17 Cb 1.22 0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.54 1g9l h PRO 17 CO 0.63 -0.69 -0.03 -0.65 -0.21 0.00 0.00 178.00 177.05 1g9l s GLN 18 N -6.02 3.81 0.36 1.05 -1.52 -1.26 -4.98 119.66 111.10 1g9l s GLN 18 Ca -0.18 0.35 0.27 0.00 -1.95 0.00 0.00 55.36 53.84 1g9l s GLN 18 Cb 0.03 -2.55 0.88 0.00 -0.22 0.00 0.00 33.01 31.16 1g9l s GLN 18 CO 0.61 0.19 1.77 0.10 -0.25 0.00 0.00 175.29 177.72 1g9l h TYR 19 N 2.06 0.00 -2.93 0.91 -0.00 -2.05 -3.44 116.97 111.52 1g9l h TYR 19 Ca -0.47 0.00 -0.56 0.00 0.00 0.00 0.00 58.73 57.69 1g9l h TYR 19 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.87 1g9l h TYR 19 CO 0.61 0.00 0.87 0.21 -0.00 0.00 0.00 178.16 179.85 1g9l s LYS 20 N -3.32 4.25 0.05 0.10 2.20 -1.26 -4.98 119.74 116.78 1g9l s LYS 20 Ca 0.06 1.69 -0.31 0.00 -0.36 0.00 0.00 55.97 57.05 1g9l s LYS 20 Cb 0.09 -3.73 -0.07 0.00 -1.51 0.00 0.00 37.83 32.61 1g9l s LYS 20 CO 0.55 -0.67 1.45 0.71 -0.36 0.00 0.00 175.35 177.03 1g9l s TYR 21 N 3.28 2.87 0.00 4.03 1.51 -1.26 -5.02 117.35 122.76 1g9l s TYR 21 Ca 0.56 0.75 0.00 0.00 -1.01 0.00 0.00 57.07 57.37 1g9l s TYR 21 Cb -0.23 -3.73 0.00 0.00 -0.11 0.00 0.00 41.96 37.89 1g9l s TYR 21 CO 0.16 -2.72 0.00 0.00 -1.11 0.00 0.00 175.55 171.88 1g9l n ALA 22 N 5.02 0.00 -1.58 3.71 0.00 -1.26 -4.85 120.51 121.55 1g9l n ALA 22 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1g9l n ALA 22 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 23 N -3.77 1.64 -2.08 0.00 0.00 -1.26 -4.78 121.76 111.52 1g9l s ALA 23 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 51.96 52.07 1g9l s ALA 23 Cb 0.00 -4.35 0.53 0.00 0.00 0.00 0.00 23.12 19.30 1g9l s ALA 23 CO 0.00 -4.46 1.38 0.41 0.00 0.00 0.00 175.76 173.09 1g9l n GLY 24 N 5.99 -0.14 0.13 0.00 0.00 -1.26 -3.77 105.19 106.15 1g9l n GLY 24 Ca 0.36 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1g9l n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1g9l n VAL 25 N -0.01 1.71 -2.12 1.61 0.31 -1.26 -4.79 118.33 113.78 1g9l n VAL 25 Ca 0.11 -0.54 -0.40 0.00 -0.01 0.00 0.00 64.34 63.50 1g9l n VAL 25 Cb 0.20 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1g9l n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1g9l s ARG 26 N -2.52 2.89 -0.09 5.55 0.52 -1.25 -4.87 118.95 119.18 1g9l s ARG 26 Ca -0.25 0.68 -0.24 0.00 -0.52 0.00 0.00 55.73 55.40 1g9l s ARG 26 Cb 0.07 -4.30 -0.20 0.00 0.52 0.00 0.00 34.95 31.04 1g9l s ARG 26 CO 0.72 -2.42 0.84 -0.91 0.02 0.00 0.00 175.30 173.55 1g9l h ASN 27 N 13.72 -0.04 -2.43 0.23 2.35 -1.90 -3.42 115.58 124.09 1g9l h ASN 27 Ca -0.27 -0.65 -0.53 0.00 -0.55 0.00 0.00 56.30 54.29 1g9l h ASN 27 Cb 1.15 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.46 1g9l h ASN 27 CO 1.18 0.70 1.13 -2.16 -1.65 0.00 0.00 177.43 176.63 1g9l s PRO 28 N -2.90 3.11 0.00 0.81 0.04 -1.26 -4.87 135.00 129.93 1g9l s PRO 28 Ca -0.15 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1g9l s PRO 28 Cb -0.01 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1g9l s PRO 28 CO 0.58 -2.20 0.00 1.04 0.04 0.00 0.00 177.00 176.46 1g9l n GLN 29 N 9.11 0.00 -0.00 4.56 6.02 -1.26 -4.75 117.38 131.06 1g9l n GLN 29 Ca 0.09 0.14 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 1g9l n GLN 29 Cb 0.50 -0.53 -0.15 0.00 1.02 0.00 0.00 30.24 31.08 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 -1.72 0.54 -3.77 -1.09 7.27 -1.26 -4.99 117.38 112.36 1g9l n GLN 30 Ca 0.00 -0.15 -0.28 0.00 0.07 0.00 0.00 57.00 56.64 1g9l n GLN 30 Cb 0.00 -1.53 0.04 0.00 2.41 0.00 0.00 30.24 31.16 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 -2.15 -2.44 -2.74 3.69 -0.00 -1.26 -4.89 115.22 105.43 1g9l n HIS 31 Ca -0.02 0.91 -0.42 0.00 0.46 0.00 0.00 57.72 58.64 1g9l n HIS 31 Cb 0.53 -4.25 -0.03 0.00 -0.12 0.00 0.00 29.99 26.12 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 -7.25 4.22 0.00 0.27 1.98 -1.26 -5.00 118.68 111.64 1g9l s LEU 32 Ca 0.62 -1.57 -0.01 0.00 -2.89 0.00 0.00 54.13 50.28 1g9l s LEU 32 Cb -0.30 -2.48 0.12 0.00 0.66 0.00 0.00 46.19 44.18 1g9l s LEU 32 CO 0.77 -1.34 0.79 0.59 -1.89 0.00 0.00 176.35 175.27 1g9l n ASN 33 N 7.82 0.97 0.00 3.68 4.13 -1.26 -4.97 115.26 125.64 1g9l n ASN 33 Ca 0.23 -1.84 0.13 0.00 1.68 0.00 0.00 54.58 54.78 1g9l n ASN 33 Cb 0.49 -0.52 0.72 0.00 -1.54 0.00 0.00 39.78 38.94 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1g9l n ALA 34 N -2.98 2.40 -1.89 5.41 0.00 -1.26 -4.81 120.51 117.37 1g9l n ALA 34 Ca -0.13 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.84 1g9l n ALA 34 Cb 0.46 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1g9l n ALA 34 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9l s GLN 35 N -2.22 4.07 -0.03 0.00 -0.21 -1.26 -4.95 119.66 115.05 1g9l s GLN 35 Ca 0.33 0.96 -0.06 0.00 0.02 0.00 0.00 55.36 56.62 1g9l s GLN 35 Cb 0.18 -2.20 -0.26 0.00 1.00 0.00 0.00 33.01 31.72 1g9l s GLN 35 CO 0.33 -0.10 3.61 -0.35 -2.12 0.00 0.00 175.29 176.66 1g9l n PRO 36 N -1.02 2.04 -1.31 2.91 -0.04 -1.26 -4.68 135.00 131.63 1g9l n PRO 36 Ca 0.06 -1.03 -0.22 0.00 -0.04 0.00 0.00 63.50 62.27 1g9l n PRO 36 Cb 0.54 -2.02 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 1g9l n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l n GLN 37 N 2.51 2.30 -2.64 0.54 10.64 -1.26 -4.93 117.38 124.54 1g9l n GLN 37 Ca 0.44 -1.86 -0.43 0.00 -1.83 0.00 0.00 57.00 53.32 1g9l n GLN 37 Cb 0.90 -2.11 -0.02 0.00 -0.86 0.00 0.00 30.24 28.16 1g9l n GLN 37 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1g9l s VAL 38 N -0.97 4.66 -0.77 -0.39 1.01 -1.26 -4.90 120.40 117.78 1g9l s VAL 38 Ca 0.62 1.96 0.22 0.00 0.00 0.00 0.00 61.98 64.78 1g9l s VAL 38 Cb 0.35 -4.26 -0.23 0.00 0.00 0.00 0.00 36.38 32.24 1g9l s VAL 38 CO -0.14 -0.07 0.84 1.07 0.00 0.00 0.00 175.10 176.81 1g9l n THR 39 N 4.86 0.01 -3.36 3.92 5.66 -1.26 -4.75 114.28 119.36 1g9l n THR 39 Ca 0.10 -0.12 -0.46 0.00 -3.05 0.00 0.00 64.05 60.52 1g9l n THR 39 Cb 0.47 0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 69.92 1g9l n THR 39 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1g9l s MET 40 N -3.12 3.40 -0.12 1.09 0.00 -1.26 -5.01 119.30 114.28 1g9l s MET 40 Ca 0.04 -2.32 -0.10 0.00 0.00 0.00 0.00 55.69 53.32 1g9l s MET 40 Cb 0.16 -4.35 0.03 0.00 0.00 0.00 0.00 34.83 30.67 1g9l s MET 40 CO 0.87 -1.29 0.31 -0.65 0.00 0.00 0.00 175.02 174.25 1g9l s GLN 41 N 0.43 0.34 0.09 4.11 -0.21 -1.26 -5.07 119.66 118.09 1g9l s GLN 41 Ca 0.15 0.47 -0.24 0.00 0.02 0.00 0.00 55.36 55.76 1g9l s GLN 41 Cb -0.15 0.11 -0.15 0.00 1.00 0.00 0.00 33.01 33.82 1g9l s GLN 41 CO -0.06 -0.07 1.73 0.37 -2.12 0.00 0.00 175.29 175.13 1g9l h GLN 42 N 6.03 -0.08 -7.23 2.91 4.15 -2.02 -3.47 115.11 115.41 1g9l h GLN 42 Ca -0.29 0.01 -0.47 0.00 0.77 0.00 0.00 58.65 58.66 1g9l h GLN 42 Cb 1.18 0.02 0.10 0.00 0.21 0.00 0.00 27.48 28.99 1g9l h GLN 42 CO 0.32 -0.06 0.16 -1.25 -1.93 0.00 0.00 178.83 176.07 1g9l s PRO 43 N -6.18 1.39 0.24 -2.39 0.04 -1.26 -5.10 135.00 121.74 1g9l s PRO 43 Ca -0.13 -1.13 -0.31 0.00 0.04 0.00 0.00 61.00 59.46 1g9l s PRO 43 Cb 0.06 -2.26 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1g9l s PRO 43 CO 0.66 -1.69 1.60 0.00 0.04 0.00 0.00 177.00 177.61 1g9l s ALA 44 N -3.28 3.79 0.08 8.56 0.00 -1.26 -4.96 121.76 124.68 1g9l s ALA 44 Ca 0.69 1.50 -0.29 0.00 0.00 0.00 0.00 51.96 53.86 1g9l s ALA 44 Cb -0.04 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1g9l s ALA 44 CO 0.46 -0.89 0.93 0.14 0.00 0.00 0.00 175.76 176.40 1g9l s VAL 45 N 0.54 4.61 -1.66 0.00 -7.23 -1.26 -4.94 120.40 110.45 1g9l s VAL 45 Ca 0.67 1.99 0.23 0.00 -1.81 0.00 0.00 61.98 63.06 1g9l s VAL 45 Cb -0.47 -4.29 -0.04 0.00 0.56 0.00 0.00 36.38 32.14 1g9l s VAL 45 CO 0.40 0.30 1.10 0.00 -0.31 0.00 0.00 175.10 176.58 1g9l n HIS 46 N 2.99 0.00 -2.33 2.82 1.44 -1.26 -4.96 115.22 113.92 1g9l n HIS 46 Ca 0.02 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.47 1g9l n HIS 46 Cb 0.50 -0.02 0.05 0.00 0.12 0.00 0.00 29.99 30.63 1g9l n HIS 46 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1g9l s VAL 47 N -2.65 3.11 -1.12 0.61 -7.23 -1.26 -5.01 120.40 106.85 1g9l s VAL 47 Ca 0.16 -0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 60.16 1g9l s VAL 47 Cb 0.18 -3.27 0.28 0.00 0.56 0.00 0.00 36.38 34.12 1g9l s VAL 47 CO 0.66 -0.28 1.63 0.00 -0.31 0.00 0.00 175.10 176.80 1g9l n GLN 48 N -2.70 4.41 0.00 4.82 3.00 -1.26 -4.79 117.38 120.86 1g9l n GLN 48 Ca 0.06 -4.33 0.00 0.00 -0.01 0.00 0.00 57.00 52.72 1g9l n GLN 48 Cb 0.59 -2.59 0.00 0.00 0.00 0.00 0.00 30.24 28.23 1g9l n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1g9l n GLY 49 N 1.49 -0.30 3.90 1.08 0.00 -1.26 -4.95 105.19 105.15 1g9l n GLY 49 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 1g9l n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1g9l s GLN 50 N -0.86 3.61 -0.11 1.61 -2.07 -1.26 -5.04 119.66 115.54 1g9l s GLN 50 Ca 0.00 0.16 -0.23 0.00 -1.82 0.00 0.00 55.36 53.46 1g9l s GLN 50 Cb 0.00 -2.47 -0.20 0.00 -1.09 0.00 0.00 33.01 29.24 1g9l s GLN 50 CO 0.00 -0.03 0.73 1.49 -1.32 0.00 0.00 175.29 176.16 1g9l h GLU 51 N 0.85 -0.03 0.09 9.60 4.22 -1.98 -3.49 114.58 123.84 1g9l h GLU 51 Ca -0.47 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.61 1g9l h GLU 51 Cb 1.20 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1g9l h GLU 51 CO 0.63 0.70 -2.03 -0.35 -2.18 0.00 0.00 179.01 175.78 1g9l n PRO 52 N -4.70 0.72 -2.49 0.92 -0.04 -1.26 -4.86 135.00 123.28 1g9l n PRO 52 Ca -0.08 0.27 -0.39 0.00 -0.04 0.00 0.00 63.50 63.26 1g9l n PRO 52 Cb 0.36 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 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 -7.05 4.46 0.00 1.53 0.20 -1.26 -4.86 118.68 111.71 1g9l s LEU 53 Ca -0.26 2.22 0.00 0.00 0.69 0.00 0.00 54.13 56.78 1g9l s LEU 53 Cb 0.07 -3.75 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1g9l s LEU 53 CO 0.71 -0.22 0.00 0.35 -0.29 0.00 0.00 176.35 176.90 1g9l n THR 54 N 0.92 0.00 -0.32 3.68 -2.24 -1.26 -4.86 114.28 110.20 1g9l n THR 54 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1g9l n THR 54 Cb 0.46 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.62 -0.40 6.98 0.00 -1.64 -1.06 119.26 126.76 1g9l h ALA 55 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1g9l h ALA 55 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1g9l h ALA 55 CO 0.00 0.15 0.25 0.77 0.00 0.00 0.00 179.25 180.42 1g9l h SER 56 N 0.90 0.47 -0.72 0.00 0.02 -1.87 -0.57 113.55 111.78 1g9l h SER 56 Ca 0.47 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.42 1g9l h SER 56 Cb 0.53 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 1g9l h SER 56 CO -0.23 0.36 0.45 0.24 -1.14 0.00 0.00 176.83 176.51 1g9l h MET 57 N 0.54 0.84 -0.26 3.45 2.07 -1.56 -1.55 114.93 118.45 1g9l h MET 57 Ca 0.15 -0.05 0.02 0.00 -2.07 0.00 0.00 59.70 57.75 1g9l h MET 57 Cb -0.03 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.48 1g9l h MET 57 CO -0.03 0.56 0.10 -0.07 1.07 0.00 0.00 176.91 178.54 1g9l h LEU 58 N 0.87 0.13 0.00 1.22 4.07 -0.75 -0.49 115.31 120.36 1g9l h LEU 58 Ca 0.29 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1g9l h LEU 58 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1g9l h LEU 58 CO -0.12 0.11 0.00 0.00 -1.08 0.00 0.00 178.44 177.35 1g9l n ALA 59 N -2.26 2.05 1.17 1.53 0.00 -0.27 -2.21 120.51 120.51 1g9l n ALA 59 Ca -0.01 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.46 1g9l n ALA 59 Cb 0.08 -1.28 0.37 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.13 0.72 -2.64 0.00 2.88 -0.19 -4.22 113.62 109.03 1g9l n SER 60 Ca 0.11 -0.56 -0.15 0.00 -1.33 0.00 0.00 58.87 56.94 1g9l n SER 60 Cb 0.09 0.12 0.02 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.03 3.86 -2.82 -1.46 0.00 -0.94 -5.08 120.51 113.04 1g9l n ALA 61 Ca 0.10 -3.54 -0.37 0.00 0.00 0.00 0.00 53.44 49.63 1g9l n ALA 61 Cb 0.33 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.21 3.84 -0.24 0.00 0.04 -1.26 0.27 135.00 134.44 1g9l s PRO 62 Ca 0.34 -0.38 -0.10 0.00 0.04 0.00 0.00 61.00 60.90 1g9l s PRO 62 Cb 0.43 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 1g9l s PRO 62 CO -0.04 -0.10 0.16 -1.25 0.04 0.00 0.00 177.00 175.80 1g9l s PRO 63 N 1.46 4.06 0.00 0.56 0.04 -1.26 -5.10 135.00 134.76 1g9l s PRO 63 Ca 0.06 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1g9l s PRO 63 Cb -0.15 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1g9l s PRO 63 CO 0.06 0.06 0.00 0.94 0.04 0.00 0.00 177.00 178.10 1g9l n GLN 64 N 4.29 0.00 -0.21 4.56 7.27 0.14 -4.95 117.38 128.48 1g9l n GLN 64 Ca -0.15 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.03 1g9l n GLN 64 Cb 0.52 0.00 0.27 0.00 2.41 0.00 0.00 30.24 33.44 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1g9l n GLU 65 N -0.17 2.30 -0.30 3.69 -0.58 -1.03 -4.34 120.64 120.22 1g9l n GLU 65 Ca 0.00 -1.98 0.13 0.00 -0.42 0.00 0.00 57.16 54.89 1g9l n GLU 65 Cb 0.00 -1.47 0.37 0.00 -0.57 0.00 0.00 31.44 29.77 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 3.61 0.68 -0.03 3.49 4.15 -1.69 -0.71 115.11 124.63 1g9l h GLN 66 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1g9l h GLN 66 Cb 0.81 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 1g9l h GLN 66 CO 0.00 0.45 -0.53 0.36 -1.93 0.00 0.00 178.83 177.18 1g9l n LYS 67 N -4.61 1.61 0.04 1.69 2.85 -1.26 -4.62 118.16 113.86 1g9l n LYS 67 Ca 0.20 -3.30 0.00 0.00 -1.05 0.00 0.00 58.31 54.15 1g9l n LYS 67 Cb 0.52 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1g9l n GLN 68 N -1.06 0.00 0.00 -1.58 7.27 -0.59 -4.80 117.38 116.62 1g9l n GLN 68 Ca 0.19 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.37 1g9l n GLN 68 Cb 0.71 -0.21 0.62 0.00 2.41 0.00 0.00 30.24 33.78 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 -2.99 0.86 -0.14 3.69 0.00 -0.37 -3.17 117.12 115.00 1g9l n MET 69 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 1g9l n MET 69 Cb 0.13 -1.38 0.01 0.00 0.00 0.00 0.00 33.22 31.99 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 0.00 0.98 -2.82 3.17 8.10 -1.82 -3.11 115.31 119.82 1g9l h LEU 70 Ca 0.00 -0.38 -0.11 0.00 0.11 0.00 0.00 57.88 57.49 1g9l h LEU 70 Cb 0.00 -0.27 -0.25 0.00 -0.44 0.00 0.00 40.66 39.70 1g9l h LEU 70 CO 0.00 1.17 -0.82 0.61 -4.11 0.00 0.00 178.44 175.29 1g9l n GLY 71 N -0.09 1.65 0.00 0.17 0.00 -1.23 -4.57 105.19 101.11 1g9l n GLY 71 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.10 0.23 0.00 1.61 1.02 -1.19 -3.60 120.64 118.82 1g9l n GLU 72 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1g9l n GLU 72 Cb 0.98 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 32.38 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 -0.02 3.36 0.11 3.49 0.00 -1.21 -4.69 116.66 117.69 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 0.00 -0.56 0.43 0.00 0.00 0.00 0.00 32.46 32.33 1g9l n ARG 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1g9l n LEU 74 N -0.79 0.76 -0.07 6.15 4.77 -1.18 -3.99 117.00 122.66 1g9l n LEU 74 Ca 0.00 0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 56.48 1g9l n LEU 74 Cb 0.00 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1g9l n LEU 74 CO 0.00 -0.26 0.63 0.15 -1.33 0.00 0.00 177.39 176.58 1g9l h PHE 75 N 0.00 -0.95 0.00 -1.77 3.57 -1.90 0.22 116.94 116.11 1g9l h PHE 75 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1g9l h PHE 75 Cb 0.65 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1g9l h PHE 75 CO 0.00 -0.40 0.00 -2.30 -2.23 0.00 0.00 178.31 173.38 1g9l n PRO 76 N -5.41 0.01 -0.10 6.41 -0.02 -1.26 -2.00 135.00 132.62 1g9l n PRO 76 Ca -0.01 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1g9l n PRO 76 Cb 0.34 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.47 1.64 -0.35 2.45 7.99 0.61 -4.38 117.00 123.50 1g9l n LEU 77 Ca 0.01 -0.02 -0.03 0.00 -0.01 0.00 0.00 56.01 55.95 1g9l n LEU 77 Cb 0.03 -0.30 0.10 0.00 -0.11 0.00 0.00 43.42 43.14 1g9l n LEU 77 CO 0.02 0.72 1.26 0.40 -1.51 0.00 0.00 177.39 178.29 1g9l h ILE 78 N 0.01 1.24 0.00 -0.08 1.08 -0.44 -1.30 117.51 118.02 1g9l h ILE 78 Ca -0.54 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.49 1g9l h ILE 78 Cb 2.06 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1g9l h ILE 78 CO -0.02 0.23 0.52 1.56 -0.69 0.00 0.00 178.15 179.75 1g9l h GLN 79 N 1.27 0.00 0.18 2.37 4.20 -1.73 0.58 115.11 121.98 1g9l h GLN 79 Ca 0.34 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.74 1g9l h GLN 79 Cb -0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.66 1g9l h GLN 79 CO -0.07 0.00 -1.47 0.00 -0.67 0.00 0.00 178.83 176.61 1g9l h ALA 80 N 0.92 0.05 -0.31 3.87 0.00 -1.48 -3.20 119.26 119.12 1g9l h ALA 80 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 54.91 53.75 1g9l h ALA 80 Cb 1.04 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1g9l h ALA 80 CO 0.00 0.81 -0.45 0.52 0.00 0.00 0.00 179.25 180.12 1g9l h MET 81 N -0.06 0.81 -6.62 0.00 2.86 0.02 -3.45 114.93 108.49 1g9l h MET 81 Ca -0.29 -0.46 -0.65 0.00 -2.06 0.00 0.00 59.70 56.25 1g9l h MET 81 Cb 1.96 0.03 -0.23 0.00 0.06 0.00 0.00 31.60 33.42 1g9l h MET 81 CO 0.17 1.09 -0.86 -1.01 1.06 0.00 0.00 176.91 177.36 1g9l s HIS 82 N -4.25 2.13 -0.54 -0.22 3.76 0.11 -5.03 115.29 111.26 1g9l s HIS 82 Ca -0.10 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.13 1g9l s HIS 82 Cb 0.11 -1.19 -0.31 0.00 1.11 0.00 0.00 32.58 32.31 1g9l s HIS 82 CO 0.87 0.25 1.85 -2.30 -0.85 0.00 0.00 174.74 174.56 1g9l n PRO 83 N 1.17 0.09 -2.26 8.40 -0.02 -1.26 -3.60 135.00 137.52 1g9l n PRO 83 Ca -0.18 -1.37 -0.09 0.00 -2.02 0.00 0.00 63.50 59.84 1g9l n PRO 83 Cb 0.53 -3.21 -0.01 0.00 -0.02 0.00 0.00 33.50 30.79 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 7.99 -0.37 1.95 3.45 -1.04 -1.21 -4.77 114.28 120.30 1g9l n THR 84 Ca 0.44 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.57 1g9l n THR 84 Cb 0.44 -1.25 0.70 0.00 -1.82 0.00 0.00 70.33 68.40 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 -2.54 0.11 0.00 -4.42 4.77 -1.24 -4.71 117.00 108.97 1g9l n LEU 85 Ca -0.11 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1g9l n LEU 85 Cb 0.54 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1g9l n LEU 85 CO 0.13 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.21 1g9l n ALA 86 N -0.80 0.00 0.00 -1.18 0.00 -1.26 -4.60 120.51 112.67 1g9l n ALA 86 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1g9l n ALA 86 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 2.01 2.94 0.00 0.00 0.00 -1.26 -4.16 105.19 104.71 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 -1.98 1.00 0.00 1.61 4.81 -1.26 -4.92 118.16 117.41 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 -0.09 0.00 0.00 0.02 0.00 0.00 35.03 34.96 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 -0.05 0.00 -0.36 3.15 5.41 -1.26 0.14 119.36 126.40 1g9l n ILE 89 Ca 0.00 1.01 0.07 0.00 1.00 0.00 0.00 62.75 64.83 1g9l n ILE 89 Cb 0.00 -1.76 0.23 0.00 -0.71 0.00 0.00 39.64 37.41 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 0.93 -0.14 1.39 2.02 -1.92 0.60 112.91 115.79 1g9l h THR 90 Ca 0.00 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1g9l h THR 90 Cb 0.00 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 1g9l h THR 90 CO 0.00 0.18 0.11 1.23 0.37 0.00 0.00 175.52 177.42 1g9l h GLY 91 N 1.00 0.00 1.47 2.16 0.00 -1.58 0.12 103.07 106.24 1g9l h GLY 91 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.58 1g9l h GLY 91 CO -0.26 0.00 -0.98 1.98 0.00 0.00 0.00 176.54 177.28 1g9l h MET 92 N 0.00 0.47 0.00 4.80 -1.53 0.67 -3.17 114.93 116.17 1g9l h MET 92 Ca 0.07 -0.52 0.00 0.00 -3.44 0.00 0.00 59.70 55.81 1g9l h MET 92 Cb 0.29 0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.49 1g9l h MET 92 CO -0.00 1.16 0.09 1.28 0.14 0.00 0.00 176.91 179.58 1g9l n LEU 93 N -3.76 0.00 -1.65 3.39 7.99 0.41 0.12 117.00 123.50 1g9l n LEU 93 Ca -0.08 0.39 -0.11 0.00 -0.01 0.00 0.00 56.01 56.20 1g9l n LEU 93 Cb 0.86 -0.39 0.21 0.00 -0.11 0.00 0.00 43.42 43.99 1g9l n LEU 93 CO 0.52 -0.39 0.96 0.18 -1.51 0.00 0.00 177.39 177.16 1g9l n LEU 94 N -1.38 5.34 0.00 2.23 7.99 -1.18 -3.83 117.00 126.17 1g9l n LEU 94 Ca 0.00 -3.59 0.00 0.00 -0.01 0.00 0.00 56.01 52.41 1g9l n LEU 94 Cb 0.09 -0.72 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 -0.96 0.00 0.00 3.23 0.28 0.32 -5.09 120.64 118.43 1g9l n GLU 95 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1g9l n GLU 95 Cb 1.31 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.18 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 0.16 -4.62 119.36 118.74 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 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.78 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 0.01 0.00 7.28 -0.08 -1.26 -4.75 116.55 117.75 1g9l n ASP 97 Ca 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1g9l n ASP 97 Cb 0.00 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.10 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 -1.37 0.00 0.09 1.67 3.02 -1.26 -4.71 115.26 112.69 1g9l n ASN 98 Ca -0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1g9l n ASN 98 Cb 0.15 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1g9l n ASN 98 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1g9l h SER 99 N 0.00 0.22 0.53 6.41 4.64 -1.96 -2.85 113.55 120.53 1g9l h SER 99 Ca 0.00 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 1g9l h SER 99 Cb 0.00 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1g9l h SER 99 CO 0.00 0.97 -0.52 -0.33 -0.87 0.00 0.00 176.83 176.09 1g9l h GLU 100 N 0.09 0.00 0.00 4.77 3.07 -1.91 0.40 114.58 121.00 1g9l h GLU 100 Ca -0.04 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1g9l h GLU 100 Cb 1.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.39 1g9l h GLU 100 CO 0.13 0.52 -0.34 1.25 -1.40 0.00 0.00 179.01 179.16 1g9l h LEU 101 N 0.00 0.00 0.05 1.33 7.12 -1.62 -1.21 115.31 120.99 1g9l h LEU 101 Ca -0.01 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.76 1g9l h LEU 101 Cb 0.92 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 1g9l h LEU 101 CO 0.07 0.34 -1.31 -0.07 -0.13 0.00 0.00 178.44 177.33 1g9l h LEU 102 N 0.00 0.18 -0.63 2.25 4.07 -1.22 -3.35 115.31 116.60 1g9l h LEU 102 Ca -0.00 -0.72 -0.10 0.00 0.08 0.00 0.00 57.88 57.14 1g9l h LEU 102 Cb 0.73 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1g9l h LEU 102 CO 0.04 1.55 0.00 -0.74 -1.08 0.00 0.00 178.44 178.21 1g9l h HIS 103 N -0.63 1.17 -0.71 1.13 2.76 -0.95 -2.42 115.15 115.50 1g9l h HIS 103 Ca -0.32 -0.20 0.07 0.00 -2.20 0.00 0.00 60.37 57.73 1g9l h HIS 103 Cb 1.53 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 30.14 1g9l h HIS 103 CO 0.12 1.02 0.47 0.00 -1.30 0.00 0.00 177.93 178.24 1g9l h MET 104 N 0.98 0.67 0.00 5.26 -0.00 -1.40 0.47 114.93 120.91 1g9l h MET 104 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.83 1g9l h MET 104 Cb 0.56 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 1g9l h MET 104 CO 0.03 0.44 -0.29 1.28 -0.00 0.00 0.00 176.91 178.38 1g9l n LEU 105 N -4.48 0.29 -0.07 -0.10 4.77 -1.09 -2.99 117.00 113.33 1g9l n LEU 105 Ca 0.11 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 1g9l n LEU 105 Cb 0.26 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1g9l n LEU 105 CO 0.33 0.07 0.04 -1.84 -1.33 0.00 0.00 177.39 174.67 1g9l n GLU 106 N -1.51 2.95 -3.78 3.23 -0.00 0.15 -4.79 120.64 116.89 1g9l n GLU 106 Ca 0.06 -0.19 -0.14 0.00 -0.00 0.00 0.00 57.16 56.89 1g9l n GLU 106 Cb 0.34 -1.05 -0.16 0.00 -0.00 0.00 0.00 31.44 30.57 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 -1.90 0.04 0.00 -1.84 0.15 0.14 -5.01 113.70 105.29 1g9l s SER 107 Ca 0.06 0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.88 1g9l s SER 107 Cb 0.09 -0.04 0.66 0.00 -1.71 0.00 0.00 66.02 65.02 1g9l s SER 107 CO 0.41 -0.11 1.09 -2.65 1.20 0.00 0.00 173.24 173.18 1g9l n PRO 108 N 4.02 0.46 0.00 5.44 -0.02 -1.26 -1.90 135.00 141.74 1g9l n PRO 108 Ca -0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 1g9l n PRO 108 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g9l n GLU 109 N -0.88 4.00 0.00 -0.52 1.02 -1.26 -4.71 120.64 118.29 1g9l n GLU 109 Ca 0.08 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 1g9l n GLU 109 Cb 0.04 -0.42 -0.12 0.00 -0.02 0.00 0.00 31.44 30.92 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 0.40 -0.96 1.62 0.02 -1.62 0.25 113.55 113.26 1g9l h SER 110 Ca 0.00 -0.83 0.27 0.00 -0.84 0.00 0.00 61.79 60.39 1g9l h SER 110 Cb 0.00 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 62.28 1g9l h SER 110 CO 0.00 1.18 0.49 0.25 -1.14 0.00 0.00 176.83 177.62 1g9l h LEU 111 N -0.33 0.45 0.00 5.07 7.12 -1.58 0.67 115.31 126.70 1g9l h LEU 111 Ca -0.08 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1g9l h LEU 111 Cb 1.30 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 1g9l h LEU 111 CO 0.10 -0.04 -0.02 -0.09 -0.13 0.00 0.00 178.44 178.26 1g9l h ARG 112 N 0.40 0.00 -0.34 1.25 2.43 -1.83 -2.95 114.38 113.35 1g9l h ARG 112 Ca 0.65 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.89 1g9l h ARG 112 Cb 1.33 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 1g9l h ARG 112 CO -0.56 0.00 -0.35 1.03 -1.51 0.00 0.00 179.97 178.58 1g9l h SER 113 N -0.67 -1.14 -0.34 -3.80 0.87 -0.16 0.26 113.55 108.56 1g9l h SER 113 Ca 0.00 0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1g9l h SER 113 Cb 0.02 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1g9l h SER 113 CO 0.00 -0.34 0.23 0.11 -0.53 0.00 0.00 176.83 176.30 1g9l h LYS 114 N -0.31 0.15 0.42 2.24 1.79 0.16 0.20 116.57 121.23 1g9l h LYS 114 Ca 0.15 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1g9l h LYS 114 Cb 0.55 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1g9l h LYS 114 CO -0.50 0.10 -0.20 0.28 -1.08 0.00 0.00 179.45 178.04 1g9l h VAL 115 N 0.15 0.19 -1.01 0.50 2.07 -0.46 0.28 116.25 117.98 1g9l h VAL 115 Ca 0.15 -0.61 0.23 0.00 0.82 0.00 0.00 66.70 67.29 1g9l h VAL 115 Cb 0.42 0.31 -0.11 0.00 -1.52 0.00 0.00 31.29 30.38 1g9l h VAL 115 CO -0.02 0.04 0.62 -0.78 0.02 0.00 0.00 177.57 177.45 1g9l h ASP 116 N -1.09 0.65 -0.21 0.57 3.58 -0.32 0.23 116.42 119.82 1g9l h ASP 116 Ca -0.06 0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 1g9l h ASP 116 Cb 0.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 1g9l h ASP 116 CO 0.10 0.16 -0.28 -0.08 -2.88 0.00 0.00 179.24 176.26 1g9l h GLU 117 N 0.59 0.55 -0.14 0.28 4.81 -0.97 -2.80 114.58 116.89 1g9l h GLU 117 Ca 0.61 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1g9l h GLU 117 Cb 1.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1g9l h GLU 117 CO -0.39 0.92 0.11 0.00 -0.73 0.00 0.00 179.01 178.92 1g9l h ALA 118 N 0.63 2.05 -0.02 2.92 0.00 0.15 -0.94 119.26 124.05 1g9l h ALA 118 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1g9l h ALA 118 Cb 0.85 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1g9l h ALA 118 CO 0.06 -0.19 -0.11 0.28 0.00 0.00 0.00 179.25 179.30 1g9l h VAL 119 N 0.00 0.72 -0.41 0.00 2.07 -0.60 0.89 116.25 118.92 1g9l h VAL 119 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1g9l h VAL 119 Cb 0.29 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1g9l h VAL 119 CO -0.00 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.98 1g9l h ALA 120 N 0.82 2.18 0.02 1.67 0.00 -1.14 0.35 119.26 123.15 1g9l h ALA 120 Ca 0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1g9l h ALA 120 Cb 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1g9l h ALA 120 CO -0.13 -0.60 -1.47 0.28 0.00 0.00 0.00 179.25 177.33 1g9l h VAL 121 N 0.00 1.16 -0.18 0.00 2.07 -0.49 -3.12 116.25 115.69 1g9l h VAL 121 Ca 0.20 -2.94 -0.20 0.00 0.82 0.00 0.00 66.70 64.58 1g9l h VAL 121 Cb 0.97 2.60 0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1g9l h VAL 121 CO -0.00 0.70 -0.67 0.17 0.02 0.00 0.00 177.57 177.78 1g9l h LEU 122 N 0.01 0.90 -1.08 2.57 8.10 0.42 -1.06 115.31 125.17 1g9l h LEU 122 Ca -0.20 -0.61 -0.02 0.00 0.11 0.00 0.00 57.88 57.16 1g9l h LEU 122 Cb 1.94 -0.26 -0.03 0.00 -0.44 0.00 0.00 40.66 41.86 1g9l h LEU 122 CO 0.11 1.35 0.34 1.56 -4.11 0.00 0.00 178.44 177.69 1g9l h GLN 123 N 0.49 0.99 0.00 0.17 1.08 -0.63 -2.13 115.11 115.08 1g9l h GLN 123 Ca -0.03 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1g9l h GLN 123 Cb 1.30 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1g9l h GLN 123 CO 0.14 0.76 0.00 0.00 -0.95 0.00 0.00 178.83 178.78 1g9l n ALA 124 N -2.44 -0.00 -0.30 3.87 0.00 -1.17 -2.82 120.51 117.65 1g9l n ALA 124 Ca 0.07 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.76 1g9l n ALA 124 Cb 0.13 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.52 0.45 0.00 0.00 -0.00 -0.41 0.99 115.22 115.73 1g9l n HIS 125 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 57.72 58.18 1g9l n HIS 125 Cb 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 29.99 29.14 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g9l n GLN 126 N -3.96 0.00 -0.92 1.57 1.13 -0.80 -4.21 117.38 110.19 1g9l n GLN 126 Ca 0.26 0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 55.29 1g9l n GLN 126 Cb 1.00 -0.91 0.21 0.00 0.11 0.00 0.00 30.24 30.65 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 -0.75 4.58 -1.96 -1.58 0.00 -0.52 -4.87 120.51 115.41 1g9l n ALA 127 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1g9l n ALA 127 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1g9l n ALA 127 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1g9l n LYS 128 N -0.38 2.36 -0.44 0.00 2.85 0.28 -4.95 118.16 117.86 1g9l n LYS 128 Ca 0.40 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.61 1g9l n LYS 128 Cb 1.32 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.80 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1g9l n GLU 129 N -0.16 1.86 0.00 -1.58 4.71 -1.26 -4.56 120.64 119.65 1g9l n GLU 129 Ca 0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 57.16 55.93 1g9l n GLU 129 Cb 0.00 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.85 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1g9l n ALA 130 N -0.02 -0.40 -1.44 0.62 0.00 -1.26 -4.82 120.51 113.19 1g9l n ALA 130 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1g9l n ALA 130 Cb 0.85 0.04 0.07 0.00 0.00 0.00 0.00 19.45 20.42 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 -1.90 -0.52 -0.00 0.00 0.00 -1.26 -5.07 120.51 111.76 1g9l n ALA 131 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 53.44 52.78 1g9l n ALA 131 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 1g9l n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g9l n GLN 132 N -2.02 0.00 0.00 0.00 3.00 -1.26 -5.02 117.38 112.08 1g9l n GLN 132 Ca 0.06 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1g9l n GLN 132 Cb 0.22 -0.70 0.00 0.00 0.00 0.00 0.00 30.24 29.76 1g9l n GLN 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1g9l n LYS 133 N -2.32 0.48 -0.71 -1.09 4.01 -1.26 -5.05 118.16 112.22 1g9l n LYS 133 Ca -0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 1g9l n LYS 133 Cb 0.00 0.00 0.26 0.00 -0.51 0.00 0.00 35.03 34.78 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1g9l s ALA 134 N -3.88 -0.12 -1.12 7.82 0.00 -1.26 -4.94 121.76 118.26 1g9l s ALA 134 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1g9l s ALA 134 Cb 0.00 -2.98 0.25 0.00 0.00 0.00 0.00 23.12 20.39 1g9l s ALA 134 CO 0.00 -4.01 1.17 0.14 0.00 0.00 0.00 175.76 173.06 1g9l s VAL 135 N -2.61 5.73 -1.99 0.00 -7.23 -1.26 -4.78 120.40 108.25 1g9l s VAL 135 Ca 0.69 -3.15 0.14 0.00 -1.81 0.00 0.00 61.98 57.86 1g9l s VAL 135 Cb -0.14 -4.68 0.41 0.00 0.56 0.00 0.00 36.38 32.54 1g9l s VAL 135 CO 0.58 -1.29 1.34 0.59 -0.31 0.00 0.00 175.10 176.02 1g9l n ASN 136 N 3.56 2.52 -4.38 4.85 3.02 -1.26 -4.68 115.26 118.88 1g9l n ASN 136 Ca 0.26 -2.00 -0.45 0.00 -0.03 0.00 0.00 54.58 52.36 1g9l n ASN 136 Cb 0.41 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1g9l s SER 137 N -1.00 7.12 0.00 6.41 0.15 -1.26 -4.85 113.70 120.27 1g9l s SER 137 Ca 0.31 -3.18 0.00 0.00 0.70 0.00 0.00 55.95 53.78 1g9l s SER 137 Cb 0.16 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1g9l s SER 137 CO 0.21 -0.52 0.00 0.00 1.20 0.00 0.00 173.24 174.14 1g9l n ALA 138 N 4.00 0.00 0.08 5.45 0.00 -1.26 -4.78 120.51 124.00 1g9l n ALA 138 Ca 0.26 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1g9l n ALA 138 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 1g9l n ALA 138 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g9l n THR 139 N -1.81 0.00 -3.55 0.00 -1.04 -1.26 -4.94 114.28 101.68 1g9l n THR 139 Ca 0.00 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.05 61.39 1g9l n THR 139 Cb 0.00 0.54 -0.11 0.00 -1.82 0.00 0.00 70.33 68.94 1g9l n THR 139 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1g9l s GLY 140 N -2.41 1.95 -0.50 3.41 0.00 -1.26 -5.05 107.32 103.46 1g9l s GLY 140 Ca -0.01 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 42.96 1g9l s GLY 140 CO 0.26 0.84 0.43 -1.34 0.00 0.00 0.00 173.10 173.29 1g9l s VAL 141 N 1.64 4.93 0.24 1.40 -7.23 -1.26 -4.65 120.40 115.46 1g9l s VAL 141 Ca 0.04 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1g9l s VAL 141 Cb -0.18 -4.12 0.06 0.00 0.56 0.00 0.00 36.38 32.69 1g9l s VAL 141 CO 0.08 -0.76 0.26 -0.81 -0.31 0.00 0.00 175.10 173.56 1g9l n PRO 142 N 5.14 -0.89 -2.10 4.82 -0.04 -1.26 -5.08 135.00 135.60 1g9l n PRO 142 Ca -0.12 -0.41 -0.27 0.00 -0.04 0.00 0.00 63.50 62.66 1g9l n PRO 142 Cb 0.41 -0.32 0.18 0.00 -0.04 0.00 0.00 33.50 33.73 1g9l n PRO 142 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g9l n THR 143 N -2.71 0.00 1.56 0.52 -2.24 -1.26 -5.23 114.28 104.92 1g9l n THR 143 Ca 0.03 -1.16 0.12 0.00 -2.27 0.00 0.00 64.05 60.78 1g9l n THR 143 Cb 0.13 -1.32 0.74 0.00 -2.10 0.00 0.00 70.33 67.78 1g9l n THR 143 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02