#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 1.10 -0.31 1.61 0.02 -1.26 -4.93 135.00 131.22 1g9l s PRO 2 Ca 0.00 1.32 0.08 0.00 0.02 0.00 0.00 61.00 62.42 1g9l s PRO 2 Cb 0.00 -1.75 0.67 0.00 0.02 0.00 0.00 34.50 33.44 1g9l s PRO 2 CO 0.00 -2.50 1.73 1.28 -0.33 0.00 0.00 177.00 177.18 1g9l n LEU 3 N -4.12 5.85 0.01 -5.54 4.77 -1.26 -4.25 117.00 112.46 1g9l n LEU 3 Ca 0.10 -3.05 0.12 0.00 -0.03 0.00 0.00 56.01 53.15 1g9l n LEU 3 Cb 0.53 -0.74 0.29 0.00 -2.33 0.00 0.00 43.42 41.17 1g9l n LEU 3 CO 0.52 0.80 0.51 0.61 -1.33 0.00 0.00 177.39 178.49 1g9l n GLY 4 N -0.22 -1.31 3.22 -0.72 0.00 -1.26 -4.91 105.19 100.00 1g9l n GLY 4 Ca 0.40 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1g9l n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1g9l n SER 5 N -1.59 -0.59 -0.76 1.61 2.88 -1.26 -5.03 113.62 108.89 1g9l n SER 5 Ca 0.05 -1.30 0.02 0.00 -1.33 0.00 0.00 58.87 56.31 1g9l n SER 5 Cb 0.35 -0.87 0.02 0.00 -0.75 0.00 0.00 64.21 62.96 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 6 N -4.03 2.15 -1.51 -1.46 0.00 -1.26 -5.03 120.51 109.37 1g9l n ALA 6 Ca -0.18 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1g9l n ALA 6 Cb 0.50 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 0.03 0.00 -1.56 0.00 0.00 -1.26 -4.97 120.51 112.75 1g9l n ALA 7 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 1g9l n ALA 7 Cb 0.82 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.00 -0.29 0.00 0.00 0.00 -1.26 -4.27 120.51 111.69 1g9l n ALA 8 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1g9l n ALA 8 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 0.77 0.00 -2.81 0.00 0.00 -1.26 -5.11 120.51 112.09 1g9l n ALA 9 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1g9l n ALA 9 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.99-10.33 -1.86 0.00 -1.04 -1.26 -4.96 114.28 93.85 1g9l n THR 10 Ca 0.00 1.58 -0.33 0.00 -2.04 0.00 0.00 64.05 63.26 1g9l n THR 10 Cb 0.00 -6.29 0.03 0.00 -1.82 0.00 0.00 70.33 62.25 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 -1.59 3.03 -0.03 -2.82 0.04 -1.26 -5.03 135.00 127.34 1g9l s PRO 11 Ca 0.02 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 1g9l s PRO 11 Cb -0.00 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1g9l s PRO 11 CO 0.66 -1.05 -0.01 0.00 0.04 0.00 0.00 177.00 176.64 1g9l h ALA 12 N 0.11 0.00 -2.79 8.56 0.00 -2.02 -3.46 119.26 119.66 1g9l h ALA 12 Ca -0.46 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 1g9l h ALA 12 Cb 1.23 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1g9l h ALA 12 CO 0.56 0.04 -0.10 0.08 0.00 0.00 0.00 179.25 179.82 1g9l s VAL 13 N -1.18 5.03 0.01 0.00 1.01 -1.26 -4.98 120.40 119.02 1g9l s VAL 13 Ca -0.01 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.03 1g9l s VAL 13 Cb 0.00 -3.84 -0.25 0.00 0.00 0.00 0.00 36.38 32.29 1g9l s VAL 13 CO 0.02 0.43 0.86 -0.09 0.00 0.00 0.00 175.10 176.31 1g9l h ARG 14 N 5.75 0.15 -6.81 2.72 9.65 -2.05 -3.46 114.38 120.34 1g9l h ARG 14 Ca -0.45 -0.26 -0.48 0.00 -1.10 0.00 0.00 59.98 57.69 1g9l h ARG 14 Cb 1.20 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.85 1g9l h ARG 14 CO 0.70 0.96 0.23 0.99 2.80 0.00 0.00 179.97 185.64 1g9l s THR 15 N -2.62 4.45 -0.22 0.20 2.01 -1.26 -5.06 115.64 113.13 1g9l s THR 15 Ca -0.07 1.42 -0.10 0.00 0.31 0.00 0.00 61.69 63.25 1g9l s THR 15 Cb 0.08 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1g9l s THR 15 CO 0.84 -0.02 0.13 0.54 -0.69 0.00 0.00 174.62 175.42 1g9l s VAL 16 N -1.80 5.27 0.00 3.82 0.11 -1.26 -5.09 120.40 121.45 1g9l s VAL 16 Ca 0.52 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1g9l s VAL 16 Cb -0.14 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1g9l s VAL 16 CO 0.19 0.39 0.00 -0.81 -3.33 0.00 0.00 175.10 171.54 1g9l n PRO 17 N 3.94 1.76 -1.74 1.54 -0.04 -1.26 -5.00 135.00 134.20 1g9l n PRO 17 Ca -0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 1g9l n PRO 17 Cb 0.52 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.03 1g9l n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g9l s GLN 18 N 0.00 2.83 -1.35 0.54 1.11 -1.26 -4.90 119.66 116.63 1g9l s GLN 18 Ca 0.00 1.31 -0.09 0.00 0.01 0.00 0.00 55.36 56.59 1g9l s GLN 18 Cb 0.00 -1.96 -0.11 0.00 -1.01 0.00 0.00 33.01 29.93 1g9l s GLN 18 CO 0.00 -1.22 2.98 0.66 0.01 0.00 0.00 175.29 177.73 1g9l n TYR 19 N -2.51 2.00 -3.41 0.91 4.01 -1.26 -4.80 117.16 112.09 1g9l n TYR 19 Ca 0.10 -2.78 -0.44 0.00 -0.16 0.00 0.00 57.90 54.62 1g9l n TYR 19 Cb 0.52 -2.31 -0.03 0.00 -0.31 0.00 0.00 39.34 37.22 1g9l n TYR 19 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1g9l s LYS 20 N 2.10 3.68 -1.26 -0.72 2.36 -1.26 -4.97 119.74 119.67 1g9l s LYS 20 Ca 0.67 -2.85 -0.12 0.00 -2.55 0.00 0.00 55.97 51.12 1g9l s LYS 20 Cb 0.19 -4.34 0.16 0.00 -1.05 0.00 0.00 37.83 32.79 1g9l s LYS 20 CO -0.05 -1.26 1.71 0.98 1.55 0.00 0.00 175.35 178.28 1g9l n TYR 21 N 3.25 3.88 -3.18 4.03 4.19 -1.26 -4.99 117.16 123.07 1g9l n TYR 21 Ca 0.18 -3.03 -0.30 0.00 3.31 0.00 0.00 57.90 58.06 1g9l n TYR 21 Cb 0.42 -2.11 -0.04 0.00 0.49 0.00 0.00 39.34 38.11 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1g9l s ALA 22 N 1.18 3.51 -0.27 2.98 0.00 -1.26 -4.98 121.76 122.93 1g9l s ALA 22 Ca 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1g9l s ALA 22 Cb 0.05 -2.47 0.27 0.00 0.00 0.00 0.00 23.12 20.97 1g9l s ALA 22 CO 0.00 0.19 1.73 0.00 0.00 0.00 0.00 175.76 177.69 1g9l n ALA 23 N -0.94 4.56 1.50 0.00 0.00 -1.26 -4.31 120.51 120.06 1g9l n ALA 23 Ca 0.00 -1.52 0.15 0.00 0.00 0.00 0.00 53.44 52.07 1g9l n ALA 23 Cb 0.54 -1.29 0.78 0.00 0.00 0.00 0.00 19.45 19.48 1g9l n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 24 N 0.03 -1.23 0.06 0.00 0.00 -1.26 -3.54 105.19 99.26 1g9l n GLY 24 Ca 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.24 0.83 -2.61 1.61 0.31 -1.26 -4.99 118.33 110.97 1g9l n VAL 25 Ca 0.16 -0.44 -0.40 0.00 -0.01 0.00 0.00 64.34 63.64 1g9l n VAL 25 Cb 0.22 -0.80 -0.05 0.00 -0.91 0.00 0.00 33.84 32.30 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 -2.29 4.75 0.47 5.55 0.52 -1.23 -5.03 118.95 121.70 1g9l s ARG 26 Ca -0.11 1.65 -0.22 0.00 -0.52 0.00 0.00 55.73 56.54 1g9l s ARG 26 Cb 0.04 -3.23 -0.07 0.00 0.52 0.00 0.00 34.95 32.20 1g9l s ARG 26 CO 0.44 0.36 1.11 -0.80 0.02 0.00 0.00 175.30 176.43 1g9l s ASN 27 N -1.03 6.20 -0.62 0.23 0.01 -1.26 -4.88 114.94 113.58 1g9l s ASN 27 Ca 0.43 2.15 -0.27 0.00 -0.71 0.00 0.00 52.86 54.45 1g9l s ASN 27 Cb -0.29 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 38.67 1g9l s ASN 27 CO 0.37 -0.89 2.49 -2.65 -1.51 0.00 0.00 177.10 174.91 1g9l n PRO 28 N -0.71 0.77 -2.80 -0.60 -0.02 -1.26 -4.86 135.00 125.52 1g9l n PRO 28 Ca 0.08 -0.01 -0.44 0.00 -2.02 0.00 0.00 63.50 61.12 1g9l n PRO 28 Cb 0.50 -2.94 -0.00 0.00 -0.02 0.00 0.00 33.50 31.04 1g9l n PRO 28 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1g9l s GLN 29 N 8.48 4.05 0.59 -0.52 -0.21 -1.26 -4.98 119.66 125.81 1g9l s GLN 29 Ca 1.08 -2.34 -0.03 0.00 0.02 0.00 0.00 55.36 54.09 1g9l s GLN 29 Cb -0.46 -5.26 0.03 0.00 1.00 0.00 0.00 33.01 28.32 1g9l s GLN 29 CO 0.32 -1.97 0.86 -0.65 -2.12 0.00 0.00 175.29 171.73 1g9l s GLN 30 N 2.67 2.58 0.43 2.91 -0.21 -1.26 -4.98 119.66 121.81 1g9l s GLN 30 Ca 0.47 -0.42 0.14 0.00 0.02 0.00 0.00 55.36 55.57 1g9l s GLN 30 Cb 0.00 -2.35 0.95 0.00 1.00 0.00 0.00 33.01 32.61 1g9l s GLN 30 CO 0.03 -0.81 1.97 0.45 -2.12 0.00 0.00 175.29 174.81 1g9l h HIS 31 N -0.14 0.02 -3.12 0.91 3.86 -2.03 -3.38 115.15 111.26 1g9l h HIS 31 Ca -0.44 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.10 1g9l h HIS 31 Cb 1.29 -0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.59 1g9l h HIS 31 CO 0.39 0.22 0.21 -0.51 0.86 0.00 0.00 177.93 179.10 1g9l s LEU 32 N -8.59 4.81 -0.14 2.43 1.02 -1.26 -4.91 118.68 112.04 1g9l s LEU 32 Ca -0.04 -0.90 -0.13 0.00 0.02 0.00 0.00 54.13 53.08 1g9l s LEU 32 Cb 0.16 -2.49 -0.10 0.00 0.02 0.00 0.00 46.19 43.77 1g9l s LEU 32 CO 0.70 -1.05 0.15 -1.13 0.02 0.00 0.00 176.35 175.04 1g9l h ASN 33 N 9.15 0.00 -1.76 2.29 -1.24 -2.00 -3.48 115.58 118.54 1g9l h ASN 33 Ca -0.28 -0.30 -0.47 0.00 0.71 0.00 0.00 56.30 55.96 1g9l h ASN 33 Cb 1.09 0.00 0.06 0.00 0.73 0.00 0.00 38.32 40.20 1g9l h ASN 33 CO 1.03 0.87 0.02 0.00 -1.29 0.00 0.00 177.43 178.07 1g9l s ALA 34 N -2.50 4.04 -0.46 1.57 0.00 -1.26 -5.07 121.76 118.07 1g9l s ALA 34 Ca -0.14 -1.82 -0.11 0.00 0.00 0.00 0.00 51.96 49.89 1g9l s ALA 34 Cb 0.01 -1.84 0.10 0.00 0.00 0.00 0.00 23.12 21.39 1g9l s ALA 34 CO 0.32 -1.20 0.35 -0.65 0.00 0.00 0.00 175.76 174.58 1g9l s GLN 35 N -4.95 2.66 -0.27 0.00 -1.52 -1.26 -5.05 119.66 109.27 1g9l s GLN 35 Ca 0.64 -1.60 -0.29 0.00 -1.95 0.00 0.00 55.36 52.16 1g9l s GLN 35 Cb -0.06 -3.96 -0.02 0.00 -0.22 0.00 0.00 33.01 28.76 1g9l s GLN 35 CO 0.42 -1.11 1.55 -1.25 -0.25 0.00 0.00 175.29 174.64 1g9l s PRO 36 N 1.45 3.76 -0.19 2.91 0.04 -1.26 -4.98 135.00 136.73 1g9l s PRO 36 Ca 0.04 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.32 1g9l s PRO 36 Cb -0.25 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 1g9l s PRO 36 CO 0.02 -1.34 0.81 -0.65 0.04 0.00 0.00 177.00 175.88 1g9l s GLN 37 N 4.68 4.26 0.19 4.56 -0.21 -1.26 -5.03 119.66 126.85 1g9l s GLN 37 Ca 0.68 0.96 -0.30 0.00 0.02 0.00 0.00 55.36 56.72 1g9l s GLN 37 Cb -0.22 -3.59 -0.08 0.00 1.00 0.00 0.00 33.01 30.12 1g9l s GLN 37 CO 0.29 -0.37 1.01 0.08 -2.12 0.00 0.00 175.29 174.18 1g9l s VAL 38 N 2.30 4.05 -0.38 1.09 1.01 -1.26 -5.03 120.40 122.18 1g9l s VAL 38 Ca 0.36 1.87 -0.10 0.00 0.00 0.00 0.00 61.98 64.12 1g9l s VAL 38 Cb -0.16 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.07 1g9l s VAL 38 CO 0.11 0.37 0.21 -0.89 0.00 0.00 0.00 175.10 174.90 1g9l s THR 39 N -0.61 4.39 -0.22 3.92 2.01 -1.26 -5.03 115.64 118.84 1g9l s THR 39 Ca 0.45 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1g9l s THR 39 Cb -0.27 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1g9l s THR 39 CO 0.33 -0.30 0.14 -0.04 -0.69 0.00 0.00 174.62 174.06 1g9l s MET 40 N 1.50 4.12 -0.45 4.92 -1.94 -1.26 -5.06 119.30 121.13 1g9l s MET 40 Ca 0.02 -0.25 -0.11 0.00 -1.71 0.00 0.00 55.69 53.64 1g9l s MET 40 Cb -0.20 -3.48 0.09 0.00 2.01 0.00 0.00 34.83 33.25 1g9l s MET 40 CO 0.05 0.18 0.32 -1.14 -0.01 0.00 0.00 175.02 174.42 1g9l s GLN 41 N 0.72 2.67 -0.23 2.03 2.00 -1.26 -3.93 119.66 121.67 1g9l s GLN 41 Ca 0.08 -1.54 -0.06 0.00 -2.00 0.00 0.00 55.36 51.84 1g9l s GLN 41 Cb -0.12 -3.92 0.02 0.00 0.80 0.00 0.00 33.01 29.79 1g9l s GLN 41 CO 0.01 -1.06 0.12 1.04 -0.50 0.00 0.00 175.29 174.91 1g9l n GLN 42 N 4.99 -3.86 -2.84 1.67 6.02 -1.26 -4.80 117.38 117.30 1g9l n GLN 42 Ca -0.10 3.00 -0.40 0.00 -0.01 0.00 0.00 57.00 59.49 1g9l n GLN 42 Cb 0.42 -4.90 -0.06 0.00 1.02 0.00 0.00 30.24 26.72 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 -1.08 4.70 -0.55 -1.09 0.04 -1.26 -5.12 135.00 130.64 1g9l s PRO 43 Ca -0.14 1.34 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 1g9l s PRO 43 Cb 0.01 -3.30 0.06 0.00 0.04 0.00 0.00 34.50 31.30 1g9l s PRO 43 CO 0.73 0.45 0.81 0.00 0.04 0.00 0.00 177.00 179.04 1g9l s ALA 44 N -0.83 3.25 0.30 8.56 0.00 -1.25 -4.76 121.76 127.03 1g9l s ALA 44 Ca 0.40 -1.59 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 1g9l s ALA 44 Cb -0.24 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 1g9l s ALA 44 CO 0.29 -2.30 1.04 0.54 0.00 0.00 0.00 175.76 175.33 1g9l s VAL 45 N 3.39 3.73 0.45 0.00 0.11 -1.26 -5.05 120.40 121.77 1g9l s VAL 45 Ca 0.22 1.62 -0.06 0.00 -2.93 0.00 0.00 61.98 60.83 1g9l s VAL 45 Cb -0.16 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.65 1g9l s VAL 45 CO 0.14 0.30 0.76 -2.28 -3.33 0.00 0.00 175.10 170.70 1g9l s HIS 46 N -1.31 3.54 0.00 1.54 2.46 -1.26 -4.90 115.29 115.36 1g9l s HIS 46 Ca 0.47 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.84 1g9l s HIS 46 Cb -0.27 -2.31 0.00 0.00 -0.13 0.00 0.00 32.58 29.86 1g9l s HIS 46 CO 0.35 -0.21 0.00 1.33 -2.47 0.00 0.00 174.74 173.74 1g9l n VAL 47 N -1.98 0.00 -0.75 0.89 0.24 -1.26 -5.13 118.33 110.34 1g9l n VAL 47 Ca 0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 1g9l n VAL 47 Cb 0.55 -0.32 0.18 0.00 -1.47 0.00 0.00 33.84 32.77 1g9l n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g9l n GLN 48 N 0.00 -2.79 -0.65 7.34 6.02 -1.26 -4.87 117.38 121.17 1g9l n GLN 48 Ca 0.00 -1.19 -0.09 0.00 -0.01 0.00 0.00 57.00 55.70 1g9l n GLN 48 Cb 0.00 -1.18 0.03 0.00 1.02 0.00 0.00 30.24 30.11 1g9l n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g9l n GLY 49 N -2.87 3.31 2.28 1.08 0.00 -1.26 -4.35 105.19 103.38 1g9l n GLY 49 Ca 0.10 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1g9l n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g9l n GLN 50 N 0.61 2.60 -0.04 1.61 10.64 -1.26 -4.58 117.38 126.97 1g9l n GLN 50 Ca 0.18 -3.25 -0.15 0.00 -1.83 0.00 0.00 57.00 51.96 1g9l n GLN 50 Cb 0.62 -2.26 -0.12 0.00 -0.86 0.00 0.00 30.24 27.61 1g9l n GLN 50 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1g9l h GLU 51 N 1.76 0.08 -6.61 2.61 4.81 -1.98 -3.47 114.58 111.78 1g9l h GLU 51 Ca 0.61 -0.11 -0.32 0.00 -0.13 0.00 0.00 59.36 59.40 1g9l h GLU 51 Cb 1.32 0.04 0.19 0.00 0.63 0.00 0.00 28.75 30.93 1g9l h GLU 51 CO 1.45 0.95 -0.23 -2.30 -0.73 0.00 0.00 179.01 178.14 1g9l n PRO 52 N -4.55 -3.59 -2.75 0.92 -0.02 -1.26 -4.95 135.00 118.80 1g9l n PRO 52 Ca -0.10 -1.06 -0.39 0.00 -2.02 0.00 0.00 63.50 59.93 1g9l n PRO 52 Cb 0.50 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1g9l s LEU 53 N -4.67 4.56 0.00 2.45 0.20 -1.26 -4.83 118.68 115.13 1g9l s LEU 53 Ca 0.56 1.93 0.00 0.00 0.69 0.00 0.00 54.13 57.31 1g9l s LEU 53 Cb -0.11 -3.72 0.00 0.00 -0.43 0.00 0.00 46.19 41.92 1g9l s LEU 53 CO 0.49 0.08 0.00 0.35 -0.29 0.00 0.00 176.35 176.99 1g9l n THR 54 N 1.22 0.00 -0.35 3.68 -2.24 -1.26 -4.89 114.28 110.44 1g9l n THR 54 Ca -0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1g9l n THR 54 Cb 0.48 0.00 0.26 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 1.53 0.11 6.98 0.00 -1.59 -0.38 119.26 127.92 1g9l h ALA 55 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1g9l h ALA 55 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1g9l h ALA 55 CO 0.00 0.13 -0.08 0.77 0.00 0.00 0.00 179.25 180.06 1g9l h SER 56 N 0.90 -0.21 -0.93 0.00 0.02 -1.87 0.52 113.55 111.98 1g9l h SER 56 Ca 0.52 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.52 1g9l h SER 56 Cb 0.61 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 1g9l h SER 56 CO -0.30 -0.13 0.61 0.24 -1.14 0.00 0.00 176.83 176.10 1g9l h MET 57 N -0.20 1.12 -0.59 3.45 2.07 -1.65 -1.93 114.93 117.20 1g9l h MET 57 Ca -0.01 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.53 1g9l h MET 57 Cb 0.18 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.63 1g9l h MET 57 CO -0.00 0.74 0.25 -0.07 1.07 0.00 0.00 176.91 178.90 1g9l h LEU 58 N 1.16 0.79 -1.59 1.22 3.38 -0.59 -1.90 115.31 117.77 1g9l h LEU 58 Ca 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1g9l h LEU 58 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1g9l h LEU 58 CO -0.12 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1g9l h ALA 59 N 1.10 1.00 0.00 1.53 0.00 -0.13 -1.02 119.26 121.73 1g9l h ALA 59 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1g9l h ALA 59 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1g9l h ALA 59 CO -0.02 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.66 1g9l n SER 60 N -2.57 0.00 -3.11 0.00 7.64 -0.71 -3.66 113.62 111.21 1g9l n SER 60 Ca -0.01 0.16 -0.21 0.00 1.01 0.00 0.00 58.87 59.83 1g9l n SER 60 Cb 0.14 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.36 2.86 0.05 -0.43 0.00 -0.39 -4.97 120.51 116.26 1g9l n ALA 61 Ca 0.08 -3.82 -0.11 0.00 0.00 0.00 0.00 53.44 49.60 1g9l n ALA 61 Cb 0.20 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1g9l h PRO 62 N 3.01 -0.22 0.00 0.00 0.11 -1.72 -1.69 132.00 131.50 1g9l h PRO 62 Ca 0.11 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1g9l h PRO 62 Cb 0.82 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1g9l h PRO 62 CO 0.60 -0.14 -0.89 -1.00 -0.21 0.00 0.00 178.00 176.36 1g9l h PRO 63 N -0.22 0.00 0.00 1.05 0.13 -1.94 -3.42 132.00 127.59 1g9l h PRO 63 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1g9l h PRO 63 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1g9l h PRO 63 CO -0.13 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 178.58 1g9l n GLN 64 N -2.45 0.00 0.00 0.86 7.27 -1.16 -5.01 117.38 116.89 1g9l n GLN 64 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1g9l n GLN 64 Cb 0.51 -0.45 0.00 0.00 2.41 0.00 0.00 30.24 32.71 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 -0.51 0.00 0.00 3.69 1.02 -0.70 -4.93 120.64 119.20 1g9l n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1g9l n GLU 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1g9l n GLU 65 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1g9l n GLN 66 N 0.00 0.00 -0.75 3.49 6.02 -0.79 -3.66 117.38 121.70 1g9l n GLN 66 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1g9l n GLN 66 Cb 0.00 0.00 0.24 0.00 1.02 0.00 0.00 30.24 31.50 1g9l n GLN 66 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1g9l n LYS 67 N 0.00 2.59 0.00 -1.09 2.85 -1.26 -4.33 118.16 116.92 1g9l n LYS 67 Ca 0.00 -3.03 0.00 0.00 -1.05 0.00 0.00 58.31 54.23 1g9l n LYS 67 Cb 0.00 -1.93 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1g9l n GLN 68 N -0.74 0.00 -0.01 -1.58 1.13 -1.24 -4.73 117.38 110.21 1g9l n GLN 68 Ca 0.32 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.45 1g9l n GLN 68 Cb 1.10 -0.46 0.37 0.00 0.11 0.00 0.00 30.24 31.36 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n MET 69 N -3.00 1.09 0.27 -1.09 0.00 -1.26 -3.77 117.12 109.35 1g9l n MET 69 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 57.70 57.42 1g9l n MET 69 Cb 0.43 -1.22 -0.08 0.00 0.00 0.00 0.00 33.22 32.35 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 0.26 -0.60 -3.53 3.17 8.10 -1.85 -2.71 115.31 118.16 1g9l h LEU 70 Ca 0.00 -0.06 -0.33 0.00 0.11 0.00 0.00 57.88 57.60 1g9l h LEU 70 Cb 0.06 0.15 -0.21 0.00 -0.44 0.00 0.00 40.66 40.23 1g9l h LEU 70 CO 0.00 -0.24 -0.14 0.61 -4.11 0.00 0.00 178.44 174.55 1g9l n GLY 71 N -0.57 5.40 0.00 0.17 0.00 -1.26 -4.11 105.19 104.82 1g9l n GLY 71 Ca -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1g9l n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1g9l n GLU 72 N -1.00 0.00 0.00 1.61 0.28 -1.25 -4.00 120.64 116.28 1g9l n GLU 72 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 1g9l n GLU 72 Cb 0.97 -0.24 0.00 0.00 1.43 0.00 0.00 31.44 33.61 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1g9l n ARG 73 N 0.00 2.43 0.06 3.44 3.00 -1.02 -4.68 116.66 119.89 1g9l n ARG 73 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1g9l n ARG 73 Cb 0.15 -0.86 0.37 0.00 0.00 0.00 0.00 32.46 32.12 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 0.35 -0.94 6.15 -0.00 -1.71 -3.32 115.31 115.84 1g9l h LEU 74 Ca 0.00 -0.06 0.08 0.00 -0.00 0.00 0.00 57.88 57.91 1g9l h LEU 74 Cb 0.45 -0.09 -0.11 0.00 -0.00 0.00 0.00 40.66 40.91 1g9l h LEU 74 CO 0.00 0.43 -0.55 0.33 -0.00 0.00 0.00 178.44 178.65 1g9l n PHE 75 N -4.31 -0.41 0.32 1.13 7.35 -1.26 0.80 117.46 121.07 1g9l n PHE 75 Ca 0.00 1.17 0.19 0.00 -0.76 0.00 0.00 57.45 58.06 1g9l n PHE 75 Cb 0.23 -0.57 1.04 0.00 0.35 0.00 0.00 39.48 40.52 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 -1.92 -1.79 132.00 121.27 1g9l h PRO 76 Ca 0.15 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.05 1g9l h PRO 76 Cb 0.38 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.45 1g9l h PRO 76 CO -0.88 0.00 -2.14 1.28 -0.21 0.00 0.00 178.00 176.05 1g9l n LEU 77 N -2.93 0.10 -0.22 2.35 4.32 0.24 -4.36 117.00 116.49 1g9l n LEU 77 Ca -0.03 0.05 -0.09 0.00 -0.02 0.00 0.00 56.01 55.92 1g9l n LEU 77 Cb 0.16 0.27 0.03 0.00 -1.62 0.00 0.00 43.42 42.26 1g9l n LEU 77 CO 0.17 0.28 0.85 0.40 -1.22 0.00 0.00 177.39 177.87 1g9l h ILE 78 N 0.00 1.27 0.00 -0.08 1.08 0.85 -2.08 117.51 118.54 1g9l h ILE 78 Ca -0.31 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1g9l h ILE 78 Cb 1.73 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1g9l h ILE 78 CO 0.02 0.41 0.41 1.56 -0.69 0.00 0.00 178.15 179.87 1g9l h GLN 79 N 1.01 0.00 0.16 2.37 4.20 -1.72 0.60 115.11 121.73 1g9l h GLN 79 Ca 0.19 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.59 1g9l h GLN 79 Cb 0.52 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1g9l h GLN 79 CO 0.03 0.00 -1.46 0.00 -0.67 0.00 0.00 178.83 176.72 1g9l h ALA 80 N 1.15 0.12 -0.06 3.87 0.00 -1.61 -3.16 119.26 119.56 1g9l h ALA 80 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 54.91 53.73 1g9l h ALA 80 Cb 0.82 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1g9l h ALA 80 CO 0.00 0.98 -0.75 0.52 0.00 0.00 0.00 179.25 180.01 1g9l h MET 81 N 0.09 0.36 -5.33 0.00 2.86 0.13 -3.45 114.93 109.59 1g9l h MET 81 Ca -0.23 -0.31 -0.43 0.00 -2.06 0.00 0.00 59.70 56.68 1g9l h MET 81 Cb 2.05 0.07 -0.23 0.00 0.06 0.00 0.00 31.60 33.54 1g9l h MET 81 CO 0.20 0.96 -0.79 -1.01 1.06 0.00 0.00 176.91 177.33 1g9l s HIS 82 N -3.56 1.21 -0.82 -0.22 4.02 -0.36 -5.05 115.29 110.51 1g9l s HIS 82 Ca -0.05 -0.41 -0.21 0.00 1.02 0.00 0.00 55.06 55.41 1g9l s HIS 82 Cb 0.10 -0.70 -0.19 0.00 -1.02 0.00 0.00 32.58 30.77 1g9l s HIS 82 CO 0.84 0.05 1.86 -2.30 1.02 0.00 0.00 174.74 176.20 1g9l n PRO 83 N 1.57 0.07 -3.97 8.40 -0.02 -1.26 -3.47 135.00 136.32 1g9l n PRO 83 Ca -0.20 -1.32 -0.32 0.00 -2.02 0.00 0.00 63.50 59.65 1g9l n PRO 83 Cb 0.54 -3.28 -0.04 0.00 -0.02 0.00 0.00 33.50 30.70 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 8.07 -0.37 -0.02 3.45 -2.24 -1.19 -4.78 114.28 117.20 1g9l n THR 84 Ca 0.32 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 1g9l n THR 84 Cb 0.47 -0.87 0.27 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.82 3.53 -0.71 3.22 4.77 -1.23 -4.40 117.00 118.36 1g9l n LEU 85 Ca 0.07 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 1g9l n LEU 85 Cb 0.48 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1g9l n LEU 85 CO 0.72 0.73 0.28 0.00 -1.33 0.00 0.00 177.39 177.79 1g9l n ALA 86 N 1.04 2.24 0.31 -1.18 0.00 -1.26 -4.11 120.51 117.55 1g9l n ALA 86 Ca 0.20 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.84 1g9l n ALA 86 Cb 0.62 -1.00 1.08 0.00 0.00 0.00 0.00 19.45 20.15 1g9l n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1g9l h GLY 87 N 3.95 0.00 -2.07 0.00 0.00 -1.98 -3.30 103.07 99.67 1g9l h GLY 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1g9l h GLY 87 CO 0.00 0.00 -0.16 1.17 0.00 0.00 0.00 176.54 177.55 1g9l n LYS 88 N -2.92 0.15 0.00 4.80 3.00 -1.26 -5.01 118.16 116.92 1g9l n LYS 88 Ca -0.03 -0.57 0.00 0.00 -0.00 0.00 0.00 58.31 57.72 1g9l n LYS 88 Cb 0.10 0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.58 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 -0.34 3.15 5.41 -1.24 -3.53 119.36 122.64 1g9l n ILE 89 Ca -0.14 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.74 1g9l n ILE 89 Cb 0.54 -0.01 0.31 0.00 -0.71 0.00 0.00 39.64 39.77 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 0.67 -0.57 1.39 2.02 -1.89 0.56 112.91 115.09 1g9l h THR 90 Ca 0.00 -0.24 0.14 0.00 0.77 0.00 0.00 66.41 67.08 1g9l h THR 90 Cb 0.00 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.29 1g9l h THR 90 CO 0.00 0.13 0.40 1.23 0.37 0.00 0.00 175.52 177.64 1g9l h GLY 91 N 0.70 0.22 1.52 2.16 0.00 -1.80 0.36 103.07 106.23 1g9l h GLY 91 Ca 0.57 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.79 1g9l h GLY 91 CO -0.40 0.02 -0.66 1.98 0.00 0.00 0.00 176.54 177.48 1g9l h MET 92 N 0.14 0.00 0.00 4.80 1.85 0.02 -3.18 114.93 118.55 1g9l h MET 92 Ca 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 1g9l h MET 92 Cb 0.89 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.92 1g9l h MET 92 CO -0.04 0.16 0.00 1.28 -0.40 0.00 0.00 176.91 177.92 1g9l n LEU 93 N -2.97 0.00 -1.47 3.39 7.99 0.13 0.76 117.00 124.83 1g9l n LEU 93 Ca -0.00 0.22 -0.02 0.00 -0.01 0.00 0.00 56.01 56.20 1g9l n LEU 93 Cb 0.64 -0.22 0.26 0.00 -0.11 0.00 0.00 43.42 43.99 1g9l n LEU 93 CO 0.39 -0.19 0.87 0.18 -1.51 0.00 0.00 177.39 177.12 1g9l n LEU 94 N -1.22 4.98 0.00 2.23 4.32 -1.19 -3.86 117.00 122.26 1g9l n LEU 94 Ca 0.02 -3.30 0.00 0.00 -0.02 0.00 0.00 56.01 52.71 1g9l n LEU 94 Cb 0.03 -0.66 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 1g9l n LEU 94 CO 0.03 0.88 0.00 -1.84 -1.22 0.00 0.00 177.39 175.24 1g9l n GLU 95 N -0.52 0.00 0.00 3.23 0.28 0.23 -5.10 120.64 118.76 1g9l n GLU 95 Ca 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1g9l n GLU 95 Cb 1.16 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.03 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 -4.65 119.36 118.71 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 0.18 -0.07 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 -4.77 116.55 117.72 1g9l n ASP 97 Ca 0.00 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1g9l n ASP 97 Cb 0.00 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1g9l n ASP 97 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1g9l n ASN 98 N -1.15 0.00 0.23 1.67 6.94 -1.26 -4.65 115.26 117.04 1g9l n ASN 98 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.66 1g9l n ASN 98 Cb 0.01 0.00 0.53 0.00 -2.36 0.00 0.00 39.78 37.95 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1g9l h SER 99 N 0.00 0.00 1.03 0.53 0.02 -1.97 0.10 113.55 113.26 1g9l h SER 99 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1g9l h SER 99 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1g9l h SER 99 CO 0.00 0.22 -1.02 -0.33 -1.14 0.00 0.00 176.83 174.56 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.92 0.09 114.58 121.28 1g9l h GLU 100 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 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 0.03 0.56 -0.56 1.25 -1.00 0.00 0.00 179.01 179.29 1g9l h LEU 101 N 0.00 0.00 0.03 1.33 5.85 -1.47 -2.02 115.31 119.02 1g9l h LEU 101 Ca -0.08 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 1g9l h LEU 101 Cb 1.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1g9l h LEU 101 CO 0.08 0.56 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.02 1g9l h LEU 102 N 0.00 0.08 -0.20 2.25 3.38 -0.80 -3.33 115.31 116.69 1g9l h LEU 102 Ca -0.01 -0.82 -0.01 0.00 0.09 0.00 0.00 57.88 57.14 1g9l h LEU 102 Cb 1.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1g9l h LEU 102 CO 0.07 1.27 0.10 -0.74 0.09 0.00 0.00 178.44 179.23 1g9l h HIS 103 N -0.86 0.28 -0.93 1.13 2.76 -1.04 -2.43 115.15 114.06 1g9l h HIS 103 Ca -0.16 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.19 1g9l h HIS 103 Cb 1.24 -0.09 -0.08 0.00 1.55 0.00 0.00 27.41 30.04 1g9l h HIS 103 CO 0.20 0.27 0.60 0.00 -1.30 0.00 0.00 177.93 177.70 1g9l h MET 104 N 0.21 0.52 0.00 5.26 -0.00 -1.54 0.63 114.93 120.01 1g9l h MET 104 Ca 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1g9l h MET 104 Cb 0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.57 1g9l h MET 104 CO -0.01 0.34 -0.13 1.28 -0.00 0.00 0.00 176.91 178.39 1g9l n LEU 105 N -4.57 0.78 -0.00 -0.10 4.77 -1.06 -2.82 117.00 113.99 1g9l n LEU 105 Ca 0.20 0.50 0.07 0.00 -0.03 0.00 0.00 56.01 56.75 1g9l n LEU 105 Cb 0.63 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1g9l n LEU 105 CO 0.28 -0.15 -0.07 -1.84 -1.33 0.00 0.00 177.39 174.28 1g9l n GLU 106 N -2.22 2.07 -3.80 3.23 -0.00 0.17 -4.80 120.64 115.29 1g9l n GLU 106 Ca 0.05 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.16 57.07 1g9l n GLU 106 Cb 0.43 -1.20 -0.14 0.00 -0.00 0.00 0.00 31.44 30.54 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 -2.46 -0.11 0.00 -1.84 0.15 0.16 -5.01 113.70 104.58 1g9l s SER 107 Ca 0.05 0.25 0.13 0.00 0.70 0.00 0.00 55.95 57.08 1g9l s SER 107 Cb 0.11 0.21 0.80 0.00 -1.71 0.00 0.00 66.02 65.43 1g9l s SER 107 CO 0.60 -0.08 1.30 -2.65 1.20 0.00 0.00 173.24 173.61 1g9l n PRO 108 N 3.46 0.68 0.00 5.44 -0.02 -1.26 -2.64 135.00 140.67 1g9l n PRO 108 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1g9l n PRO 108 Cb 0.56 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.81 1.61 0.26 -0.52 1.02 -1.26 -4.70 120.64 116.25 1g9l n GLU 109 Ca 0.10 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1g9l n GLU 109 Cb 0.05 -0.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.49 1g9l n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1g9l h SER 110 N 0.00 -0.55 -1.11 1.62 4.64 -1.77 0.26 113.55 116.65 1g9l h SER 110 Ca 0.00 -0.06 0.32 0.00 -0.47 0.00 0.00 61.79 61.57 1g9l h SER 110 Cb 0.17 0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 1g9l h SER 110 CO 0.00 -0.25 0.78 0.25 -0.87 0.00 0.00 176.83 176.74 1g9l h LEU 111 N -0.86 0.08 0.00 5.97 6.46 -1.70 0.68 115.31 125.94 1g9l h LEU 111 Ca -0.07 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1g9l h LEU 111 Cb 0.58 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1g9l h LEU 111 CO 0.11 0.01 -0.39 -0.09 -0.62 0.00 0.00 178.44 177.47 1g9l h ARG 112 N 0.07 0.00 -0.66 1.25 2.43 -1.78 -2.84 114.38 112.85 1g9l h ARG 112 Ca 0.54 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.81 1g9l h ARG 112 Cb 2.04 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.54 1g9l h ARG 112 CO -0.06 0.00 0.44 0.77 -1.51 0.00 0.00 179.97 179.61 1g9l h SER 113 N -0.94 0.48 0.83 -3.80 0.02 -0.18 0.22 113.55 110.18 1g9l h SER 113 Ca 0.00 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.75 1g9l h SER 113 Cb 0.39 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1g9l h SER 113 CO 0.00 0.29 -0.97 0.11 -1.14 0.00 0.00 176.83 175.12 1g9l h LYS 114 N 0.54 0.07 0.08 3.45 1.79 0.20 -2.10 116.57 120.60 1g9l h LYS 114 Ca 0.30 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1g9l h LYS 114 Cb 0.48 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1g9l h LYS 114 CO -0.10 0.98 -0.04 0.28 -1.08 0.00 0.00 179.45 179.50 1g9l h VAL 115 N 0.03 1.19 -0.41 0.50 2.07 -0.84 0.67 116.25 119.46 1g9l h VAL 115 Ca -0.03 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.39 1g9l h VAL 115 Cb 1.68 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 1g9l h VAL 115 CO 0.14 0.27 0.27 0.44 0.02 0.00 0.00 177.57 178.71 1g9l h ASP 116 N -0.65 0.32 0.90 0.57 5.19 -0.74 0.20 116.42 122.21 1g9l h ASP 116 Ca -0.01 -0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 1g9l h ASP 116 Cb 0.53 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1g9l h ASP 116 CO 0.02 0.22 -1.03 -0.33 -3.12 0.00 0.00 179.24 175.00 1g9l h GLU 117 N 0.37 0.06 0.00 3.56 5.08 -1.30 -3.02 114.58 119.33 1g9l h GLU 117 Ca 0.17 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1g9l h GLU 117 Cb 0.22 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1g9l h GLU 117 CO -0.04 1.03 -0.16 0.00 -1.00 0.00 0.00 179.01 178.84 1g9l h ALA 118 N 0.93 1.12 0.56 3.43 0.00 0.28 -2.35 119.26 123.23 1g9l h ALA 118 Ca -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1g9l h ALA 118 Cb 1.78 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.55 1g9l h ALA 118 CO 0.14 0.20 -0.27 0.28 0.00 0.00 0.00 179.25 179.60 1g9l h VAL 119 N 0.00 0.33 -0.25 0.00 2.07 -0.60 1.07 116.25 118.86 1g9l h VAL 119 Ca -0.00 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1g9l h VAL 119 Cb 0.54 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1g9l h VAL 119 CO 0.02 0.04 0.39 0.00 0.02 0.00 0.00 177.57 178.04 1g9l h ALA 120 N -0.72 1.83 0.04 1.67 0.00 -1.50 0.74 119.26 121.32 1g9l h ALA 120 Ca -0.08 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 1g9l h ALA 120 Cb 0.64 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1g9l h ALA 120 CO 0.13 -0.52 -1.55 0.28 0.00 0.00 0.00 179.25 177.58 1g9l h VAL 121 N 0.00 1.08 -0.16 0.00 2.07 -0.86 -2.95 116.25 115.42 1g9l h VAL 121 Ca 0.12 -2.83 -0.12 0.00 0.82 0.00 0.00 66.70 64.69 1g9l h VAL 121 Cb 0.90 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1g9l h VAL 121 CO -0.00 0.71 -0.36 0.25 0.02 0.00 0.00 177.57 178.19 1g9l h LEU 122 N 0.03 0.60 -1.27 2.57 5.85 0.71 0.43 115.31 124.23 1g9l h LEU 122 Ca -0.23 -0.56 -0.07 0.00 0.84 0.00 0.00 57.88 57.85 1g9l h LEU 122 Cb 1.97 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1g9l h LEU 122 CO 0.11 1.06 -0.26 0.06 -0.34 0.00 0.00 178.44 179.07 1g9l h GLN 123 N 0.18 0.16 0.00 1.25 3.07 -0.57 0.24 115.11 119.44 1g9l h GLN 123 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1g9l h GLN 123 Cb 0.97 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.51 1g9l h GLN 123 CO 0.08 0.42 -0.14 0.00 0.09 0.00 0.00 178.83 179.28 1g9l h ALA 124 N 1.59 0.91 -0.23 0.06 0.00 -1.38 -3.22 119.26 116.98 1g9l h ALA 124 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1g9l h ALA 124 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1g9l h ALA 124 CO 0.04 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.87 1g9l n HIS 125 N -2.46 0.31 0.00 0.00 -0.00 0.13 -4.38 115.22 108.82 1g9l n HIS 125 Ca 0.05 -0.41 0.00 0.00 0.46 0.00 0.00 57.72 57.82 1g9l n HIS 125 Cb 0.46 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 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 0.35 0.00 -0.78 1.57 1.13 0.76 -4.70 117.38 115.72 1g9l n GLN 126 Ca 0.09 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.13 1g9l n GLN 126 Cb 0.36 0.00 0.27 0.00 0.11 0.00 0.00 30.24 30.98 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 4.00 -1.45 -1.58 0.00 -1.26 -4.71 120.51 112.51 1g9l n ALA 127 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1g9l n ALA 127 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.11 3.48 -0.07 0.00 5.02 -1.26 -4.89 118.16 120.55 1g9l n LYS 128 Ca 0.29 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.59 1g9l n LYS 128 Cb 1.12 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 36.17 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 1.31 0.23 1.97 0.28 -1.26 -4.15 120.64 119.01 1g9l n GLU 129 Ca 0.00 -0.25 -0.15 0.00 -0.16 0.00 0.00 57.16 56.59 1g9l n GLU 129 Cb 0.00 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.26 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1g9l h ALA 130 N 2.23 -0.55 -2.12 -1.84 0.00 -1.84 -3.40 119.26 111.74 1g9l h ALA 130 Ca 0.00 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 1g9l h ALA 130 Cb 0.59 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1g9l h ALA 130 CO 0.04 -0.76 0.66 0.00 0.00 0.00 0.00 179.25 179.19 1g9l s ALA 131 N -5.71 3.59 0.00 0.00 0.00 -1.26 -4.96 121.76 113.42 1g9l s ALA 131 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1g9l s ALA 131 Cb 0.04 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1g9l s ALA 131 CO 0.61 -1.19 0.00 1.04 0.00 0.00 0.00 175.76 176.21 1g9l n GLN 132 N 6.40 0.00 -2.50 0.00 1.13 -1.26 -4.93 117.38 116.23 1g9l n GLN 132 Ca 0.09 0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 1g9l n GLN 132 Cb 0.47 -0.35 -0.04 0.00 0.11 0.00 0.00 30.24 30.44 1g9l n GLN 132 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1g9l s LYS 133 N -0.17 4.55 -0.00 -1.09 2.47 -1.26 -4.99 119.74 119.26 1g9l s LYS 133 Ca 0.00 1.73 -0.00 0.00 -1.56 0.00 0.00 55.97 56.13 1g9l s LYS 133 Cb 0.00 -3.30 -0.00 0.00 -1.46 0.00 0.00 37.83 33.07 1g9l s LYS 133 CO 0.00 -0.01 0.52 0.00 0.16 0.00 0.00 175.35 176.03 1g9l h ALA 134 N 5.51 -0.52 -2.96 3.13 0.00 -2.04 -3.45 119.26 118.93 1g9l h ALA 134 Ca -0.44 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 1g9l h ALA 134 Cb 1.21 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1g9l h ALA 134 CO 0.74 -0.52 -0.54 0.14 0.00 0.00 0.00 179.25 179.07 1g9l s VAL 135 N -2.07 4.98 -1.31 0.00 -7.23 -1.26 -5.02 120.40 108.50 1g9l s VAL 135 Ca -0.00 0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.12 1g9l s VAL 135 Cb 0.00 -3.14 0.10 0.00 0.56 0.00 0.00 36.38 33.89 1g9l s VAL 135 CO 0.00 0.61 2.45 -0.46 -0.31 0.00 0.00 175.10 177.39 1g9l n ASN 136 N 2.13 8.05 -4.81 4.85 0.23 -1.26 -4.97 115.26 119.48 1g9l n ASN 136 Ca -0.19 -3.10 -0.36 0.00 -0.53 0.00 0.00 54.58 50.40 1g9l n ASN 136 Cb 0.54 -1.37 -0.06 0.00 -2.08 0.00 0.00 39.78 36.81 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1g9l s SER 137 N 0.52 7.13 0.25 0.53 1.04 -1.26 -4.97 113.70 116.94 1g9l s SER 137 Ca 0.56 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1g9l s SER 137 Cb 0.19 -2.50 0.32 0.00 0.10 0.00 0.00 66.02 64.13 1g9l s SER 137 CO -0.10 -0.10 1.68 0.00 0.98 0.00 0.00 173.24 175.70 1g9l h ALA 138 N 2.95 1.00 -1.93 5.32 0.00 -2.04 -3.38 119.26 121.18 1g9l h ALA 138 Ca -0.48 -0.37 -0.69 0.00 0.00 0.00 0.00 54.91 53.37 1g9l h ALA 138 Cb 1.19 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 18.66 1g9l h ALA 138 CO 0.64 0.59 0.31 0.99 0.00 0.00 0.00 179.25 181.78 1g9l s THR 139 N -4.48 4.77 0.00 0.00 2.01 -1.26 -4.99 115.64 111.69 1g9l s THR 139 Ca -0.08 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1g9l s THR 139 Cb 0.13 -4.57 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1g9l s THR 139 CO 0.81 -1.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.10 1g9l n GLY 140 N 5.22 3.07 3.73 4.40 0.00 -1.26 -5.05 105.19 115.31 1g9l n GLY 140 Ca -0.02 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1g9l n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g9l s VAL 141 N 3.75 3.57 0.00 1.61 0.11 -1.26 -3.92 120.40 124.26 1g9l s VAL 141 Ca 0.00 1.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.34 1g9l s VAL 141 Cb 0.00 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1g9l s VAL 141 CO 0.00 0.19 0.00 -0.81 -3.33 0.00 0.00 175.10 171.15 1g9l n PRO 142 N 2.69 0.00 -0.02 1.54 -0.04 -1.26 -4.92 135.00 132.98 1g9l n PRO 142 Ca 0.05 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1g9l n PRO 142 Cb 0.45 -0.36 -0.01 0.00 -0.04 0.00 0.00 33.50 33.54 1g9l n PRO 142 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1g9l n THR 143 N -1.31 0.36 -0.85 0.52 -1.04 -1.25 -5.15 114.28 105.56 1g9l n THR 143 Ca 0.00 0.41 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1g9l n THR 143 Cb 0.00 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1g9l n THR 143 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98