#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 0.76 0.18 1.61 0.04 -1.26 -5.01 135.00 131.32 1g9l s PRO 2 Ca 0.00 0.53 -0.28 0.00 0.04 0.00 0.00 61.00 61.29 1g9l s PRO 2 Cb 0.00 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 1g9l s PRO 2 CO 0.00 -2.51 0.88 -1.17 0.04 0.00 0.00 177.00 174.24 1g9l s LEU 3 N -6.32 4.59 0.00 -3.56 2.96 -1.26 -4.96 118.68 110.14 1g9l s LEU 3 Ca 0.64 1.79 0.19 0.00 -0.22 0.00 0.00 54.13 56.53 1g9l s LEU 3 Cb -0.18 -3.47 0.33 0.00 0.50 0.00 0.00 46.19 43.37 1g9l s LEU 3 CO 0.57 0.13 1.26 0.61 -1.32 0.00 0.00 176.35 177.60 1g9l n GLY 4 N 1.72 1.50 0.01 7.98 0.00 -1.26 -4.63 105.19 110.53 1g9l n GLY 4 Ca -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 1g9l n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1g9l h SER 5 N 3.60 0.00 -0.56 1.61 0.02 -2.05 -3.50 113.55 112.68 1g9l h SER 5 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1g9l h SER 5 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1g9l h SER 5 CO 0.00 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 1g9l n ALA 6 N -2.42 0.00 -1.01 3.77 0.00 -1.26 -4.79 120.51 114.81 1g9l n ALA 6 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1g9l n ALA 6 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.68 0.00 -3.60 0.00 0.00 -1.26 -5.05 120.51 111.28 1g9l n ALA 7 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1g9l n ALA 7 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 8 N -4.82 -1.10 0.00 0.00 0.00 -1.26 -5.02 121.76 109.57 1g9l s ALA 8 Ca 0.00 1.34 0.17 0.00 0.00 0.00 0.00 51.96 53.47 1g9l s ALA 8 Cb 0.00 -1.37 0.28 0.00 0.00 0.00 0.00 23.12 22.03 1g9l s ALA 8 CO 0.00 -0.84 1.09 0.00 0.00 0.00 0.00 175.76 176.01 1g9l n ALA 9 N 5.38 2.39 -0.06 0.00 0.00 -1.26 -4.91 120.51 122.05 1g9l n ALA 9 Ca -0.07 -1.81 -0.13 0.00 0.00 0.00 0.00 53.44 51.42 1g9l n ALA 9 Cb 0.50 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 1g9l n ALA 9 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1g9l h THR 10 N 6.75 1.65 -0.01 0.00 2.02 -2.02 -3.47 112.91 117.84 1g9l h THR 10 Ca -0.20 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 64.82 1g9l h THR 10 Cb 1.71 3.08 0.00 0.00 -1.74 0.00 0.00 68.15 71.20 1g9l h THR 10 CO 0.04 0.54 -0.33 -0.81 0.37 0.00 0.00 175.52 175.33 1g9l n PRO 11 N -4.65 0.75 -2.07 6.66 -0.04 -1.26 -5.02 135.00 129.37 1g9l n PRO 11 Ca -0.09 -0.47 -0.33 0.00 -0.04 0.00 0.00 63.50 62.57 1g9l n PRO 11 Cb 0.43 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l s ALA 12 N -2.58 1.95 -0.82 0.55 0.00 -1.26 -4.92 121.76 114.68 1g9l s ALA 12 Ca 0.22 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1g9l s ALA 12 Cb 0.19 -4.43 0.14 0.00 0.00 0.00 0.00 23.12 19.01 1g9l s ALA 12 CO 0.56 -4.33 0.97 0.08 0.00 0.00 0.00 175.76 173.04 1g9l s VAL 13 N 9.41 4.87 -0.16 0.00 1.01 -1.26 -4.83 120.40 129.44 1g9l s VAL 13 Ca 0.67 -1.52 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1g9l s VAL 13 Cb -0.09 -4.66 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 1g9l s VAL 13 CO 0.09 -1.34 -0.27 -1.14 0.00 0.00 0.00 175.10 172.44 1g9l n ARG 14 N 6.13 0.48 -3.44 2.72 0.63 -1.26 -4.81 116.66 117.11 1g9l n ARG 14 Ca 0.13 0.32 -0.44 0.00 -0.92 0.00 0.00 57.85 56.94 1g9l n ARG 14 Cb 0.47 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.85 1g9l n ARG 14 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1g9l s THR 15 N -2.59 5.00 -0.22 5.15 -4.23 -1.26 -4.93 115.64 112.56 1g9l s THR 15 Ca -0.23 -2.40 -0.09 0.00 -1.18 0.00 0.00 61.69 57.80 1g9l s THR 15 Cb 0.03 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.68 1g9l s THR 15 CO 0.34 -0.95 0.11 0.54 -0.54 0.00 0.00 174.62 174.11 1g9l s VAL 16 N 0.40 4.98 0.50 2.29 0.11 -1.26 -4.98 120.40 122.44 1g9l s VAL 16 Ca 0.15 0.04 0.25 0.00 -2.93 0.00 0.00 61.98 59.49 1g9l s VAL 16 Cb -0.16 -3.29 0.30 0.00 -1.53 0.00 0.00 36.38 31.70 1g9l s VAL 16 CO -0.05 0.39 2.14 -0.65 -3.33 0.00 0.00 175.10 173.60 1g9l h PRO 17 N 7.26 0.00 -7.28 1.54 0.11 -2.03 -3.43 132.00 128.17 1g9l h PRO 17 Ca -0.38 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.24 1g9l h PRO 17 Cb 1.17 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.34 1g9l h PRO 17 CO 0.67 0.07 0.30 -0.65 -0.21 0.00 0.00 178.00 178.18 1g9l s GLN 18 N -4.52 3.07 0.89 1.05 -1.52 -1.26 -5.08 119.66 112.30 1g9l s GLN 18 Ca -0.04 0.32 -0.14 0.00 -1.95 0.00 0.00 55.36 53.55 1g9l s GLN 18 Cb 0.15 -2.15 0.14 0.00 -0.22 0.00 0.00 33.01 30.92 1g9l s GLN 18 CO 0.59 -0.76 1.21 0.71 -0.25 0.00 0.00 175.29 176.79 1g9l s TYR 19 N -3.14 2.35 -1.00 0.91 2.02 -1.26 -4.99 117.35 112.23 1g9l s TYR 19 Ca 0.55 0.63 -0.02 0.00 -0.37 0.00 0.00 57.07 57.86 1g9l s TYR 19 Cb -0.11 -3.67 0.31 0.00 -0.40 0.00 0.00 41.96 38.10 1g9l s TYR 19 CO 0.49 -2.25 1.56 1.17 -1.57 0.00 0.00 175.55 174.95 1g9l n LYS 20 N -3.60 4.72 0.21 -0.62 3.00 -1.26 -4.74 118.16 115.86 1g9l n LYS 20 Ca 0.10 -4.63 0.14 0.00 -0.00 0.00 0.00 58.31 53.92 1g9l n LYS 20 Cb 0.60 -2.46 0.48 0.00 0.00 0.00 0.00 35.03 33.64 1g9l n LYS 20 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1g9l h TYR 21 N 4.69 0.00 0.00 5.64 3.20 -2.05 -3.25 116.97 125.20 1g9l h TYR 21 Ca 0.34 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 1g9l h TYR 21 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1g9l h TYR 21 CO 1.13 0.00 -0.34 0.00 -1.64 0.00 0.00 178.16 177.31 1g9l h ALA 22 N 2.14 0.07 -2.22 1.82 0.00 -2.03 -3.44 119.26 115.60 1g9l h ALA 22 Ca 0.00 -0.69 -0.62 0.00 0.00 0.00 0.00 54.91 53.61 1g9l h ALA 22 Cb 0.63 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1g9l h ALA 22 CO 0.00 0.19 0.32 0.00 0.00 0.00 0.00 179.25 179.76 1g9l s ALA 23 N -2.26 3.45 -0.74 0.00 0.00 -1.23 -5.01 121.76 115.97 1g9l s ALA 23 Ca -0.21 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 1g9l s ALA 23 Cb -0.01 -3.31 0.19 0.00 0.00 0.00 0.00 23.12 20.00 1g9l s ALA 23 CO 0.67 -1.42 0.64 0.20 0.00 0.00 0.00 175.76 175.84 1g9l s GLY 24 N 1.81 2.57 0.00 0.00 0.00 -1.26 -4.81 107.32 105.62 1g9l s GLY 24 Ca 0.30 -3.24 0.15 0.00 0.00 0.00 0.00 44.72 41.93 1g9l s GLY 24 CO 0.16 1.20 1.16 -0.62 0.00 0.00 0.00 173.10 175.00 1g9l n VAL 25 N 3.91 0.49 0.00 1.40 0.31 -1.26 -2.61 118.33 120.57 1g9l n VAL 25 Ca 0.10 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1g9l n VAL 25 Cb 0.44 0.92 0.00 0.00 -0.91 0.00 0.00 33.84 34.29 1g9l n VAL 25 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1g9l n ARG 26 N 0.87 0.00 -0.11 5.55 3.00 -1.26 -4.58 116.66 120.13 1g9l n ARG 26 Ca 0.12 0.03 -0.22 0.00 -0.00 0.00 0.00 57.85 57.78 1g9l n ARG 26 Cb 0.43 -0.41 -0.11 0.00 0.00 0.00 0.00 32.46 32.38 1g9l n ARG 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1g9l n ASN 27 N -2.20 1.87 0.05 6.15 3.02 -1.26 -3.75 115.26 119.14 1g9l n ASN 27 Ca 0.00 0.43 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 1g9l n ASN 27 Cb 0.00 -0.95 0.59 0.00 -0.61 0.00 0.00 39.78 38.82 1g9l n ASN 27 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1g9l h PRO 28 N -1.00 0.17 0.00 3.52 0.11 -1.91 -0.12 132.00 132.77 1g9l h PRO 28 Ca -0.36 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1g9l h PRO 28 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1g9l h PRO 28 CO -0.22 0.11 -0.18 0.37 -0.21 0.00 0.00 178.00 177.87 1g9l h GLN 29 N 0.17 0.00 -6.67 1.05 -0.00 -1.69 -3.46 115.11 104.52 1g9l h GLN 29 Ca 0.18 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.34 1g9l h GLN 29 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 27.48 27.99 1g9l h GLN 29 CO -0.03 0.18 -0.09 -0.65 0.00 0.00 0.00 178.83 178.24 1g9l s GLN 30 N -3.21 2.28 -0.61 1.69 -1.52 -0.06 -5.01 119.66 113.22 1g9l s GLN 30 Ca 0.05 -1.59 -0.02 0.00 -1.95 0.00 0.00 55.36 51.85 1g9l s GLN 30 Cb 0.07 -2.63 0.41 0.00 -0.22 0.00 0.00 33.01 30.64 1g9l s GLN 30 CO 0.68 -0.88 2.04 0.72 -0.25 0.00 0.00 175.29 177.60 1g9l n HIS 31 N -2.27 2.96 1.76 0.91 8.25 -1.26 -4.49 115.22 121.08 1g9l n HIS 31 Ca 0.15 -2.86 0.09 0.00 -0.26 0.00 0.00 57.72 54.85 1g9l n HIS 31 Cb 0.61 -1.38 0.49 0.00 1.12 0.00 0.00 29.99 30.83 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1g9l n LEU 32 N -0.71 0.51 -4.33 2.41 0.00 -1.26 -4.64 117.00 108.98 1g9l n LEU 32 Ca 0.57 -0.21 -0.46 0.00 0.00 0.00 0.00 56.01 55.91 1g9l n LEU 32 Cb 0.65 -0.03 -0.04 0.00 0.00 0.00 0.00 43.42 43.99 1g9l n LEU 32 CO 0.73 0.11 0.29 0.54 0.00 0.00 0.00 177.39 179.05 1g9l s ASN 33 N -1.56 6.33 -1.24 1.96 2.20 -1.26 -4.95 114.94 116.41 1g9l s ASN 33 Ca 0.29 -1.92 -0.07 0.00 -0.94 0.00 0.00 52.86 50.21 1g9l s ASN 33 Cb 0.14 -2.24 -0.01 0.00 -2.00 0.00 0.00 41.25 37.14 1g9l s ASN 33 CO 0.22 -0.86 2.78 0.00 -2.94 0.00 0.00 177.10 176.31 1g9l n ALA 34 N 5.24 7.05 -0.07 3.54 0.00 -1.26 -4.57 120.51 130.44 1g9l n ALA 34 Ca -0.06 -3.54 -0.12 0.00 0.00 0.00 0.00 53.44 49.72 1g9l n ALA 34 Cb 0.42 -2.92 -0.10 0.00 0.00 0.00 0.00 19.45 16.85 1g9l n ALA 34 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1g9l h GLN 35 N 4.45 0.00 -6.69 0.00 4.15 -1.97 -3.46 115.11 111.59 1g9l h GLN 35 Ca 0.70 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 59.61 1g9l h GLN 35 Cb 0.45 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1g9l h GLN 35 CO 1.43 0.81 0.39 -1.25 -1.93 0.00 0.00 178.83 178.27 1g9l s PRO 36 N -2.12 4.75 -0.35 -2.39 0.04 -1.26 -4.95 135.00 128.72 1g9l s PRO 36 Ca -0.17 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 1g9l s PRO 36 Cb -0.01 -3.29 0.24 0.00 0.04 0.00 0.00 34.50 31.48 1g9l s PRO 36 CO 0.55 0.33 2.00 1.04 0.04 0.00 0.00 177.00 180.97 1g9l n GLN 37 N 1.93 1.89 -2.81 4.56 6.02 -1.26 -4.70 117.38 123.01 1g9l n GLN 37 Ca -0.00 -1.75 -0.42 0.00 -0.01 0.00 0.00 57.00 54.81 1g9l n GLN 37 Cb 0.47 -1.69 0.01 0.00 1.02 0.00 0.00 30.24 30.06 1g9l n GLN 37 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1g9l n VAL 38 N 0.18 5.43 -3.00 5.09 0.24 -1.26 -4.95 118.33 120.07 1g9l n VAL 38 Ca 0.34 -5.74 -0.44 0.00 -2.04 0.00 0.00 64.34 56.45 1g9l n VAL 38 Cb 0.61 -1.98 -0.02 0.00 -1.47 0.00 0.00 33.84 30.97 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 -2.79 4.90 -2.16 3.34 2.01 -1.26 -4.81 115.64 114.86 1g9l s THR 39 Ca 0.35 -1.77 0.27 0.00 0.31 0.00 0.00 61.69 60.85 1g9l s THR 39 Cb 0.09 -4.73 0.69 0.00 0.01 0.00 0.00 72.50 68.56 1g9l s THR 39 CO 0.04 -1.43 1.93 0.23 -0.69 0.00 0.00 174.62 174.69 1g9l n MET 40 N 6.06 1.26 -3.36 4.92 2.81 -1.26 -4.94 117.12 122.60 1g9l n MET 40 Ca 0.23 -0.38 -0.16 0.00 -1.81 0.00 0.00 57.70 55.58 1g9l n MET 40 Cb 0.49 -1.44 0.04 0.00 -0.71 0.00 0.00 33.22 31.59 1g9l n MET 40 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1g9l n GLN 41 N -0.50 -1.61 -3.57 0.03 6.02 -1.26 -5.00 117.38 111.48 1g9l n GLN 41 Ca 0.20 0.94 -0.29 0.00 -0.01 0.00 0.00 57.00 57.83 1g9l n GLN 41 Cb 0.19 -5.01 -0.13 0.00 1.02 0.00 0.00 30.24 26.31 1g9l n GLN 41 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1g9l s GLN 42 N -4.46 0.72 0.00 -1.09 0.74 -1.26 -5.14 119.66 109.17 1g9l s GLN 42 Ca 0.28 -1.39 0.00 0.00 0.05 0.00 0.00 55.36 54.31 1g9l s GLN 42 Cb -0.07 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.41 1g9l s GLN 42 CO 0.79 -1.15 0.00 -0.35 -0.55 0.00 0.00 175.29 174.03 1g9l n PRO 43 N 4.14 -0.76 -1.16 1.67 -0.04 -1.26 -4.99 135.00 132.61 1g9l n PRO 43 Ca 0.07 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 1g9l n PRO 43 Cb 0.37 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 33.95 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l s ALA 44 N -3.03 1.90 0.00 0.55 0.00 -1.26 -5.02 121.76 114.90 1g9l s ALA 44 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1g9l s ALA 44 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1g9l s ALA 44 CO 0.00 -2.19 0.00 1.33 0.00 0.00 0.00 175.76 174.90 1g9l n VAL 45 N -3.31 0.00 -3.66 0.00 0.24 -1.26 -4.91 118.33 105.43 1g9l n VAL 45 Ca 0.13 0.04 -0.38 0.00 -2.04 0.00 0.00 64.34 62.08 1g9l n VAL 45 Cb 0.51 -0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 31.85 1g9l n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1g9l s HIS 46 N -0.08 3.49 -0.21 6.34 3.76 -1.26 -4.93 115.29 122.40 1g9l s HIS 46 Ca 0.00 -2.42 0.01 0.00 -0.15 0.00 0.00 55.06 52.50 1g9l s HIS 46 Cb 0.00 -3.33 0.28 0.00 1.11 0.00 0.00 32.58 30.65 1g9l s HIS 46 CO 0.00 -0.91 1.49 1.55 -0.85 0.00 0.00 174.74 176.01 1g9l n VAL 47 N 4.03 2.08 0.31 -0.90 3.14 -1.26 -4.31 118.33 121.42 1g9l n VAL 47 Ca 0.03 -0.95 0.16 0.00 -2.96 0.00 0.00 64.34 60.63 1g9l n VAL 47 Cb 0.40 -0.84 0.70 0.00 -1.06 0.00 0.00 33.84 33.04 1g9l n VAL 47 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1g9l h GLN 48 N 0.57 0.00 -2.74 1.45 4.20 -2.04 -3.29 115.11 113.27 1g9l h GLN 48 Ca 0.28 0.00 -0.81 0.00 0.06 0.00 0.00 58.65 58.18 1g9l h GLN 48 Cb 1.71 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 29.22 1g9l h GLN 48 CO 0.52 0.00 0.89 0.41 -0.67 0.00 0.00 178.83 179.98 1g9l n GLY 49 N -0.22 5.44 3.40 3.46 0.00 -1.26 -4.97 105.19 111.05 1g9l n GLY 49 Ca 0.00 -2.63 -0.44 0.00 0.00 0.00 0.00 46.02 42.95 1g9l n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g9l s GLN 50 N -3.17 3.07 -0.50 1.61 -0.21 -1.24 -5.02 119.66 114.21 1g9l s GLN 50 Ca 0.33 -1.14 -0.25 0.00 0.02 0.00 0.00 55.36 54.33 1g9l s GLN 50 Cb 0.09 -4.23 0.03 0.00 1.00 0.00 0.00 33.01 29.90 1g9l s GLN 50 CO 0.04 -1.56 0.92 -1.21 -2.12 0.00 0.00 175.29 171.36 1g9l s GLU 51 N 3.01 3.44 0.73 2.91 0.41 -1.26 -5.04 118.70 122.89 1g9l s GLU 51 Ca 0.15 -0.03 -0.12 0.00 -0.41 0.00 0.00 54.97 54.55 1g9l s GLU 51 Cb -0.22 -3.98 0.17 0.00 -1.78 0.00 0.00 34.13 28.32 1g9l s GLU 51 CO 0.08 -1.32 0.94 -2.30 -0.49 0.00 0.00 175.26 172.18 1g9l n PRO 52 N 7.24 -1.12 -2.43 0.39 -0.02 -1.26 -5.05 135.00 132.75 1g9l n PRO 52 Ca 0.04 -1.46 -0.32 0.00 -2.02 0.00 0.00 63.50 59.74 1g9l n PRO 52 Cb 0.48 -1.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.00 3.67 0.00 2.45 2.96 -1.26 -4.92 118.68 121.58 1g9l s LEU 53 Ca 0.54 1.63 -0.14 0.00 -0.22 0.00 0.00 54.13 55.94 1g9l s LEU 53 Cb -0.02 -4.52 0.05 0.00 0.50 0.00 0.00 46.19 42.20 1g9l s LEU 53 CO 0.38 -0.62 0.67 0.35 -1.32 0.00 0.00 176.35 175.81 1g9l n THR 54 N -1.46 0.00 0.11 3.68 -2.24 -1.26 -4.80 114.28 108.30 1g9l n THR 54 Ca 0.07 -0.38 0.20 0.00 -2.27 0.00 0.00 64.05 61.67 1g9l n THR 54 Cb 0.54 0.51 0.73 0.00 -2.10 0.00 0.00 70.33 70.01 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 2.07 -0.01 6.98 0.00 -1.57 -0.02 119.26 128.71 1g9l h ALA 55 Ca -0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1g9l h ALA 55 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1g9l h ALA 55 CO 0.24 -0.68 -0.08 0.77 0.00 0.00 0.00 179.25 179.51 1g9l h SER 56 N 0.00 0.08 -0.96 0.00 0.02 -1.87 -1.77 113.55 109.05 1g9l h SER 56 Ca 0.19 -0.71 0.05 0.00 -0.84 0.00 0.00 61.79 60.48 1g9l h SER 56 Cb 1.13 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.59 1g9l h SER 56 CO -0.00 0.78 0.63 0.24 -1.14 0.00 0.00 176.83 177.33 1g9l h MET 57 N -0.61 1.14 -0.37 3.45 2.07 -1.40 -1.71 114.93 117.50 1g9l h MET 57 Ca -0.01 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.52 1g9l h MET 57 Cb 0.78 -0.26 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 1g9l h MET 57 CO 0.02 0.75 0.11 -0.07 1.07 0.00 0.00 176.91 178.79 1g9l h LEU 58 N 1.17 0.54 0.00 1.22 3.38 -1.29 -1.66 115.31 118.67 1g9l h LEU 58 Ca 0.40 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1g9l h LEU 58 Cb 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1g9l h LEU 58 CO -0.14 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1g9l n ALA 59 N -2.32 1.48 1.22 1.53 0.00 -0.67 -1.13 120.51 120.62 1g9l n ALA 59 Ca -0.01 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1g9l n ALA 59 Cb 0.18 -1.14 0.55 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.39 0.31 -2.88 0.00 2.88 -0.62 -4.04 113.62 107.88 1g9l n SER 60 Ca 0.03 -0.18 -0.18 0.00 -1.33 0.00 0.00 58.87 57.20 1g9l n SER 60 Cb 0.08 -0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.24 3.40 -2.72 -1.46 0.00 -0.28 -5.03 120.51 113.18 1g9l n ALA 61 Ca 0.11 -3.71 -0.37 0.00 0.00 0.00 0.00 53.44 49.47 1g9l n ALA 61 Cb 0.30 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -3.00 3.92 -0.48 0.00 0.04 -1.26 0.44 135.00 134.67 1g9l s PRO 62 Ca 0.39 -0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.12 1g9l s PRO 62 Cb 0.38 -3.52 0.64 0.00 0.04 0.00 0.00 34.50 32.03 1g9l s PRO 62 CO -0.07 -0.08 1.93 -0.35 0.04 0.00 0.00 177.00 178.47 1g9l n PRO 63 N 4.71 2.31 0.00 0.56 -0.04 -1.26 -4.87 135.00 136.41 1g9l n PRO 63 Ca -0.15 -3.05 0.00 0.00 -0.04 0.00 0.00 63.50 60.26 1g9l n PRO 63 Cb 0.52 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1g9l n PRO 63 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1g9l n GLN 64 N -1.12 0.00 -0.93 0.54 7.27 0.17 -4.24 117.38 119.07 1g9l n GLN 64 Ca 0.60 0.01 -0.09 0.00 0.07 0.00 0.00 57.00 57.59 1g9l n GLN 64 Cb 1.54 -0.53 0.21 0.00 2.41 0.00 0.00 30.24 33.87 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 -0.04 2.32 -0.25 3.69 -0.58 -0.34 -4.65 120.64 120.79 1g9l n GLU 65 Ca 0.00 -3.09 0.03 0.00 -0.42 0.00 0.00 57.16 53.68 1g9l n GLU 65 Cb 0.00 -1.98 0.15 0.00 -0.57 0.00 0.00 31.44 29.04 1g9l n GLU 65 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1g9l h GLN 66 N 1.30 0.55 -0.81 3.49 4.20 -1.39 -0.62 115.11 121.83 1g9l h GLN 66 Ca 0.34 -0.03 -0.53 0.00 0.06 0.00 0.00 58.65 58.49 1g9l h GLN 66 Cb 2.11 -0.12 -0.29 0.00 0.30 0.00 0.00 27.48 29.47 1g9l h GLN 66 CO 0.64 0.36 0.21 0.36 -0.67 0.00 0.00 178.83 179.73 1g9l n LYS 67 N -4.90 2.71 0.02 1.46 -0.00 -1.26 -4.40 118.16 111.79 1g9l n LYS 67 Ca 0.12 -3.47 0.00 0.00 -0.00 0.00 0.00 58.31 54.96 1g9l n LYS 67 Cb 0.32 -2.18 0.00 0.00 -0.00 0.00 0.00 35.03 33.17 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 -0.94 0.00 0.00 -1.58 -0.06 -0.32 -4.78 117.38 109.71 1g9l n GLN 68 Ca 0.52 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.64 1g9l n GLN 68 Cb 0.95 -0.31 0.60 0.00 -4.06 0.00 0.00 30.24 27.42 1g9l n GLN 68 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1g9l n MET 69 N -2.99 0.31 0.10 3.69 0.00 -0.70 -2.30 117.12 115.22 1g9l n MET 69 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 57.70 57.79 1g9l n MET 69 Cb 0.23 -1.50 0.41 0.00 0.00 0.00 0.00 33.22 32.36 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 0.27 -2.31 4.03 8.10 -1.78 -2.97 115.31 120.66 1g9l h LEU 70 Ca 0.00 -0.04 -0.12 0.00 0.11 0.00 0.00 57.88 57.83 1g9l h LEU 70 Cb 0.25 -0.07 -0.21 0.00 -0.44 0.00 0.00 40.66 40.19 1g9l h LEU 70 CO 0.00 0.36 -0.60 0.61 -4.11 0.00 0.00 178.44 174.70 1g9l n GLY 71 N -1.03 0.77 0.00 0.17 0.00 -1.21 -4.71 105.19 99.17 1g9l n GLY 71 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.21 0.00 0.00 1.61 1.02 -0.97 -3.93 120.64 118.57 1g9l n GLU 72 Ca -0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1g9l n GLU 72 Cb 0.87 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 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 4.50 0.22 3.49 0.00 -1.23 -4.75 116.66 118.89 1g9l n ARG 73 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1g9l n ARG 73 Cb 0.26 -0.60 0.41 0.00 0.00 0.00 0.00 32.46 32.53 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 -0.99 6.15 3.38 -1.80 -3.34 115.31 118.70 1g9l h LEU 74 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1g9l h LEU 74 Cb 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.62 1g9l h LEU 74 CO 0.00 0.18 -0.45 0.33 0.09 0.00 0.00 178.44 178.59 1g9l n PHE 75 N -3.27 -0.12 0.43 1.13 7.35 -1.26 0.47 117.46 122.19 1g9l n PHE 75 Ca 0.01 1.23 0.13 0.00 -0.76 0.00 0.00 57.45 58.06 1g9l n PHE 75 Cb 0.46 -0.78 0.48 0.00 0.35 0.00 0.00 39.48 39.99 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 0.02 -7.13 0.11 -1.90 -3.15 132.00 119.96 1g9l h PRO 76 Ca 0.28 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.08 1g9l h PRO 76 Cb 0.53 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 1g9l h PRO 76 CO -0.97 0.00 -1.83 1.28 -0.21 0.00 0.00 178.00 176.27 1g9l n LEU 77 N -2.41 1.16 -0.11 2.35 4.77 0.18 -4.03 117.00 118.90 1g9l n LEU 77 Ca 0.03 0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1g9l n LEU 77 Cb 0.31 -0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.50 1g9l n LEU 77 CO 0.24 0.49 0.88 0.40 -1.33 0.00 0.00 177.39 178.08 1g9l h ILE 78 N 0.01 1.24 0.00 -0.08 1.08 -0.09 -1.59 117.51 118.08 1g9l h ILE 78 Ca -0.34 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1g9l h ILE 78 Cb 2.04 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 1g9l h ILE 78 CO 0.07 0.35 0.45 1.56 -0.69 0.00 0.00 178.15 179.90 1g9l h GLN 79 N 0.75 0.00 0.11 2.37 4.20 -1.69 0.74 115.11 121.60 1g9l h GLN 79 Ca 0.15 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.62 1g9l h GLN 79 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1g9l h GLN 79 CO 0.02 0.00 -1.17 0.00 -0.67 0.00 0.00 178.83 177.01 1g9l h ALA 80 N 0.89 0.10 0.00 3.87 0.00 -1.49 -3.14 119.26 119.49 1g9l h ALA 80 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 54.91 53.89 1g9l h ALA 80 Cb 0.90 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1g9l h ALA 80 CO 0.00 0.65 -0.30 0.52 0.00 0.00 0.00 179.25 180.12 1g9l h MET 81 N -0.39 0.00 -6.07 0.00 2.86 0.33 -3.45 114.93 108.22 1g9l h MET 81 Ca -0.25 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.82 1g9l h MET 81 Cb 1.67 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.23 1g9l h MET 81 CO 0.07 0.30 -0.60 -1.58 1.06 0.00 0.00 176.91 176.16 1g9l s HIS 82 N -4.08 2.61 0.00 -0.22 5.04 0.01 -5.01 115.29 113.64 1g9l s HIS 82 Ca -0.02 -0.39 -0.04 0.00 -1.54 0.00 0.00 55.06 53.07 1g9l s HIS 82 Cb 0.13 -1.49 -0.18 0.00 0.04 0.00 0.00 32.58 31.09 1g9l s HIS 82 CO 0.68 0.46 2.84 -0.35 -2.34 0.00 0.00 174.74 176.02 1g9l n PRO 83 N -1.00 1.51 -2.94 2.88 -0.04 -1.26 -4.53 135.00 129.62 1g9l n PRO 83 Ca -0.04 -0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 62.65 1g9l n PRO 83 Cb 0.61 -1.73 0.06 0.00 -0.04 0.00 0.00 33.50 32.40 1g9l n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1g9l n THR 84 N 2.34 -4.33 0.05 0.52 -1.04 -1.18 -4.95 114.28 105.69 1g9l n THR 84 Ca 0.28 -0.40 0.01 0.00 -2.04 0.00 0.00 64.05 61.90 1g9l n THR 84 Cb 0.70 -4.32 0.01 0.00 -1.82 0.00 0.00 70.33 64.90 1g9l n THR 84 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1g9l n LEU 85 N -3.07 1.19 -3.07 -4.42 0.00 -1.26 -4.83 117.00 101.54 1g9l n LEU 85 Ca -0.18 -1.08 -0.24 0.00 0.00 0.00 0.00 56.01 54.51 1g9l n LEU 85 Cb 0.61 -0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.00 1g9l n LEU 85 CO 0.41 0.28 2.44 0.00 0.00 0.00 0.00 177.39 180.53 1g9l n ALA 86 N 0.03 5.32 1.08 1.96 0.00 -1.26 -4.22 120.51 123.43 1g9l n ALA 86 Ca 0.01 -2.22 0.12 0.00 0.00 0.00 0.00 53.44 51.35 1g9l n ALA 86 Cb 0.05 -2.98 0.16 0.00 0.00 0.00 0.00 19.45 16.68 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 3.57 0.69 0.00 0.00 0.00 -1.26 -4.55 105.19 103.64 1g9l n GLY 87 Ca 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.96 0.57 0.00 1.61 4.81 -1.26 -4.97 118.16 119.88 1g9l n LYS 88 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1g9l n LYS 88 Cb 0.54 -0.05 0.00 0.00 0.02 0.00 0.00 35.03 35.54 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 0.00 0.00 -0.32 3.15 5.41 -1.26 0.81 119.36 127.15 1g9l n ILE 89 Ca 0.00 0.77 0.15 0.00 1.00 0.00 0.00 62.75 64.67 1g9l n ILE 89 Cb 0.00 -1.55 0.38 0.00 -0.71 0.00 0.00 39.64 37.76 1g9l n ILE 89 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1g9l h THR 90 N 0.00 0.70 -0.00 1.39 2.02 -1.90 1.16 112.91 116.28 1g9l h THR 90 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1g9l h THR 90 Cb 0.00 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1g9l h THR 90 CO 0.00 0.12 0.00 1.23 0.37 0.00 0.00 175.52 177.24 1g9l h GLY 91 N 0.66 0.00 1.38 2.16 0.00 -1.66 -0.32 103.07 105.29 1g9l h GLY 91 Ca 0.55 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.64 1g9l h GLY 91 CO -0.31 0.00 -0.96 1.98 0.00 0.00 0.00 176.54 177.25 1g9l h MET 92 N 0.00 0.56 0.00 4.80 -1.53 0.76 -3.15 114.93 116.37 1g9l h MET 92 Ca 0.00 -0.58 0.00 0.00 -3.44 0.00 0.00 59.70 55.68 1g9l h MET 92 Cb 0.01 0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.22 1g9l h MET 92 CO -0.00 1.20 0.09 1.28 0.14 0.00 0.00 176.91 179.62 1g9l n LEU 93 N -3.81 0.00 -1.64 3.39 7.99 0.37 0.13 117.00 123.42 1g9l n LEU 93 Ca -0.08 0.33 -0.10 0.00 -0.01 0.00 0.00 56.01 56.14 1g9l n LEU 93 Cb 0.84 -0.33 0.22 0.00 -0.11 0.00 0.00 43.42 44.04 1g9l n LEU 93 CO 0.53 -0.33 0.95 0.18 -1.51 0.00 0.00 177.39 177.22 1g9l n LEU 94 N -1.31 5.33 0.00 2.23 4.32 -1.18 -4.07 117.00 122.32 1g9l n LEU 94 Ca 0.00 -3.56 0.00 0.00 -0.02 0.00 0.00 56.01 52.43 1g9l n LEU 94 Cb 0.09 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1g9l n LEU 94 CO 0.00 1.06 0.00 -1.84 -1.22 0.00 0.00 177.39 175.39 1g9l n GLU 95 N -0.91 0.00 0.00 3.23 0.28 0.34 -5.11 120.64 118.47 1g9l n GLU 95 Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1g9l n GLU 95 Cb 1.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.17 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 0.13 -4.65 119.36 118.68 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 -0.06 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 -0.08 -1.26 -4.77 116.55 117.72 1g9l n ASP 97 Ca 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1g9l n ASP 97 Cb 0.00 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.29 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 -1.17 0.00 0.18 1.67 4.13 -1.26 -4.65 115.26 114.17 1g9l n ASN 98 Ca 0.00 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.33 1g9l n ASN 98 Cb 0.00 -0.02 0.18 0.00 -1.54 0.00 0.00 39.78 38.41 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1g9l h SER 99 N 0.00 0.00 1.14 6.41 0.02 -1.98 -2.31 113.55 116.83 1g9l h SER 99 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1g9l h SER 99 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 99 CO 0.00 0.30 -0.91 -0.33 -1.14 0.00 0.00 176.83 174.75 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.93 -0.90 114.58 120.28 1g9l h GLU 100 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1g9l h GLU 100 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1g9l h GLU 100 CO 0.04 0.47 -0.36 1.25 -1.00 0.00 0.00 179.01 179.41 1g9l h LEU 101 N 0.00 0.00 0.02 1.33 5.85 -1.67 -1.80 115.31 119.04 1g9l h LEU 101 Ca -0.07 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 1g9l h LEU 101 Cb 1.51 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1g9l h LEU 101 CO 0.06 0.36 -1.00 -0.07 -0.34 0.00 0.00 178.44 177.45 1g9l h LEU 102 N 0.00 0.08 -0.76 2.25 3.38 -1.38 -3.33 115.31 115.55 1g9l h LEU 102 Ca -0.00 -0.70 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 1g9l h LEU 102 Cb 1.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1g9l h LEU 102 CO 0.05 1.40 -0.16 -0.74 0.09 0.00 0.00 178.44 179.08 1g9l h HIS 103 N -0.85 0.86 -0.77 1.13 2.76 -1.24 -1.80 115.15 115.25 1g9l h HIS 103 Ca -0.26 -0.17 0.06 0.00 -2.20 0.00 0.00 60.37 57.80 1g9l h HIS 103 Cb 1.33 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 30.03 1g9l h HIS 103 CO 0.15 0.88 0.50 0.00 -1.30 0.00 0.00 177.93 178.15 1g9l h MET 104 N 0.68 0.80 -0.00 5.26 -0.00 -1.50 0.87 114.93 121.04 1g9l h MET 104 Ca 0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 1g9l h MET 104 Cb 0.65 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1g9l h MET 104 CO 0.05 0.53 -0.35 1.28 -0.00 0.00 0.00 176.91 178.42 1g9l n LEU 105 N -4.48 0.37 -0.44 -0.10 4.77 -1.09 -2.70 117.00 113.32 1g9l n LEU 105 Ca 0.11 0.13 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 1g9l n LEU 105 Cb 0.22 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1g9l n LEU 105 CO 0.33 0.09 0.37 -0.62 -1.33 0.00 0.00 177.39 176.24 1g9l n GLU 106 N -1.47 1.33 -3.73 3.23 -0.58 0.72 -4.76 120.64 115.37 1g9l n GLU 106 Ca 0.06 -1.06 -0.12 0.00 -0.42 0.00 0.00 57.16 55.62 1g9l n GLU 106 Cb 0.34 -1.23 -0.11 0.00 -0.57 0.00 0.00 31.44 29.87 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1g9l s SER 107 N -1.35 -0.41 0.00 1.62 0.15 0.27 -5.00 113.70 108.97 1g9l s SER 107 Ca 0.14 0.77 0.14 0.00 0.70 0.00 0.00 55.95 57.69 1g9l s SER 107 Cb 0.11 0.73 0.81 0.00 -1.71 0.00 0.00 66.02 65.96 1g9l s SER 107 CO 0.24 -0.15 1.31 -0.81 1.20 0.00 0.00 173.24 175.03 1g9l n PRO 108 N 3.44 0.70 0.00 5.44 -0.04 -1.26 -2.41 135.00 140.87 1g9l n PRO 108 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1g9l n PRO 108 Cb 0.56 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g9l n GLU 109 N -0.80 3.95 0.03 0.54 1.02 -1.26 -4.71 120.64 119.41 1g9l n GLU 109 Ca 0.10 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.05 1g9l n GLU 109 Cb 0.05 -0.37 -0.14 0.00 -0.02 0.00 0.00 31.44 30.96 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 0.47 -0.97 1.62 0.02 -1.71 0.25 113.55 113.23 1g9l h SER 110 Ca 0.00 -0.90 0.26 0.00 -0.84 0.00 0.00 61.79 60.31 1g9l h SER 110 Cb 0.00 -0.15 -0.13 0.00 0.14 0.00 0.00 62.40 62.26 1g9l h SER 110 CO 0.00 1.33 0.53 0.25 -1.14 0.00 0.00 176.83 177.79 1g9l h LEU 111 N -0.32 0.53 0.00 5.07 7.12 -1.59 0.72 115.31 126.83 1g9l h LEU 111 Ca -0.12 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1g9l h LEU 111 Cb 1.53 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 1g9l h LEU 111 CO 0.14 0.01 -0.03 -0.09 -0.13 0.00 0.00 178.44 178.33 1g9l h ARG 112 N 0.46 0.00 -0.55 1.25 2.43 -1.83 -2.96 114.38 113.18 1g9l h ARG 112 Ca 0.64 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.93 1g9l h ARG 112 Cb 1.30 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.74 1g9l h ARG 112 CO -0.53 0.00 -0.19 0.77 -1.51 0.00 0.00 179.97 178.51 1g9l h SER 113 N -0.56 -0.69 0.03 -3.80 0.02 -0.24 0.45 113.55 108.76 1g9l h SER 113 Ca 0.00 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1g9l h SER 113 Cb 0.03 0.41 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1g9l h SER 113 CO 0.00 -0.23 -0.04 0.11 -1.14 0.00 0.00 176.83 175.53 1g9l h LYS 114 N -0.06 0.02 0.18 3.45 1.79 0.27 0.44 116.57 122.66 1g9l h LYS 114 Ca 0.26 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 1g9l h LYS 114 Cb 0.46 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1g9l h LYS 114 CO -0.60 0.07 -0.09 0.28 -1.08 0.00 0.00 179.45 178.03 1g9l h VAL 115 N 0.02 0.76 -0.27 0.50 2.07 -0.10 0.75 116.25 119.99 1g9l h VAL 115 Ca 0.01 -1.07 0.08 0.00 0.82 0.00 0.00 66.70 66.53 1g9l h VAL 115 Cb 0.09 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1g9l h VAL 115 CO 0.01 0.20 0.21 -0.78 0.02 0.00 0.00 177.57 177.22 1g9l h ASP 116 N -0.89 0.00 0.71 0.57 3.58 -0.30 0.47 116.42 120.57 1g9l h ASP 116 Ca -0.03 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.16 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 0.04 0.00 -1.19 -0.33 -2.88 0.00 0.00 179.24 174.88 1g9l h GLU 117 N 0.00 0.22 0.00 0.28 5.08 -0.06 -2.96 114.58 117.14 1g9l h GLU 117 Ca 0.13 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1g9l h GLU 117 Cb 0.55 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1g9l h GLU 117 CO -0.00 1.18 0.00 0.00 -1.00 0.00 0.00 179.01 179.18 1g9l h ALA 118 N 0.67 1.00 0.19 3.43 0.00 0.48 -2.32 119.26 122.70 1g9l h ALA 118 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1g9l h ALA 118 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1g9l h ALA 118 CO 0.19 0.00 -0.09 0.28 0.00 0.00 0.00 179.25 179.63 1g9l h VAL 119 N 0.00 0.92 -0.22 0.00 2.07 -0.19 1.11 116.25 119.94 1g9l h VAL 119 Ca 0.00 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1g9l h VAL 119 Cb 0.39 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1g9l h VAL 119 CO 0.00 0.15 0.20 0.00 0.02 0.00 0.00 177.57 177.93 1g9l h ALA 120 N 0.13 2.00 0.02 1.67 0.00 -1.41 0.22 119.26 121.89 1g9l h ALA 120 Ca -0.03 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1g9l h ALA 120 Cb 0.44 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1g9l h ALA 120 CO 0.04 -0.31 -1.45 0.28 0.00 0.00 0.00 179.25 177.81 1g9l h VAL 121 N 0.00 1.17 0.00 0.00 2.07 -1.05 -2.79 116.25 115.66 1g9l h VAL 121 Ca 0.10 -2.95 -0.14 0.00 0.82 0.00 0.00 66.70 64.54 1g9l h VAL 121 Cb 0.49 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1g9l h VAL 121 CO -0.00 0.71 -0.66 0.25 0.02 0.00 0.00 177.57 177.89 1g9l h LEU 122 N 0.01 0.00 0.00 2.57 5.85 0.36 -1.50 115.31 122.60 1g9l h LEU 122 Ca -0.19 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1g9l h LEU 122 Cb 1.93 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.95 1g9l h LEU 122 CO 0.11 0.66 -0.64 1.56 -0.34 0.00 0.00 178.44 179.79 1g9l h GLN 123 N 0.00 0.00 -0.00 1.25 1.08 -0.78 -0.32 115.11 116.33 1g9l h GLN 123 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1g9l h GLN 123 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1g9l h GLN 123 CO 0.09 0.30 -0.21 0.00 -0.95 0.00 0.00 178.83 178.05 1g9l n ALA 124 N -2.23 2.96 -0.03 3.87 0.00 -1.05 -3.72 120.51 120.31 1g9l n ALA 124 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.09 1g9l n ALA 124 Cb 0.69 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.99 0.00 0.00 0.00 -0.00 -0.59 -4.15 115.22 109.49 1g9l n HIS 125 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1g9l n HIS 125 Cb 0.31 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 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 -2.47 0.00 -1.62 1.57 6.02 -0.13 -3.37 117.38 117.38 1g9l n GLN 126 Ca -0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.58 1g9l n GLN 126 Cb 0.62 -0.91 -0.05 0.00 1.02 0.00 0.00 30.24 30.93 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n ALA 127 N -0.86 6.70 -1.92 -1.58 0.00 -1.24 -4.96 120.51 116.64 1g9l n ALA 127 Ca 0.00 -3.37 -0.42 0.00 0.00 0.00 0.00 53.44 49.65 1g9l n ALA 127 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.89 1g9l n ALA 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1g9l s LYS 128 N -0.82 4.21 0.00 0.00 -2.85 -1.22 -4.84 119.74 114.22 1g9l s LYS 128 Ca 0.59 2.36 0.29 0.00 -1.00 0.00 0.00 55.97 58.21 1g9l s LYS 128 Cb 0.28 -3.28 1.23 0.00 -2.06 0.00 0.00 37.83 33.99 1g9l s LYS 128 CO -0.13 -0.65 1.84 -0.85 0.10 0.00 0.00 175.35 175.66 1g9l n GLU 129 N 4.45 1.31 0.00 1.78 0.28 -1.26 -3.76 120.64 123.44 1g9l n GLU 129 Ca 0.14 -0.61 0.09 0.00 -0.16 0.00 0.00 57.16 56.62 1g9l n GLU 129 Cb 0.39 -1.49 0.45 0.00 1.43 0.00 0.00 31.44 32.23 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1g9l n ALA 130 N -0.31 1.96 0.89 -1.84 0.00 -1.26 -2.61 120.51 117.34 1g9l n ALA 130 Ca 0.19 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.66 1g9l n ALA 130 Cb 0.29 -1.31 0.52 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.36 2.09 -2.12 0.00 0.00 -1.25 -4.80 120.51 113.08 1g9l n ALA 131 Ca 0.07 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1g9l n ALA 131 Cb 0.18 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1g9l n ALA 131 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9l s GLN 132 N -2.87 4.32 0.48 0.00 -0.21 -1.07 -4.89 119.66 115.40 1g9l s GLN 132 Ca 0.14 2.11 0.32 0.00 0.02 0.00 0.00 55.36 57.95 1g9l s GLN 132 Cb 0.15 -3.23 1.34 0.00 1.00 0.00 0.00 33.01 32.28 1g9l s GLN 132 CO 0.40 -0.43 1.93 0.87 -2.12 0.00 0.00 175.29 175.94 1g9l h LYS 133 N 6.58 0.00 -5.67 2.91 1.79 -1.92 -3.41 116.57 116.85 1g9l h LYS 133 Ca -0.43 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.42 1g9l h LYS 133 Cb 1.21 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.73 1g9l h LYS 133 CO 0.86 0.00 0.29 0.00 -1.08 0.00 0.00 179.45 179.51 1g9l s ALA 134 N -3.61 3.38 -0.36 3.86 0.00 -1.26 -4.94 121.76 118.83 1g9l s ALA 134 Ca 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1g9l s ALA 134 Cb 0.09 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1g9l s ALA 134 CO 0.49 -1.64 2.81 1.33 0.00 0.00 0.00 175.76 178.74 1g9l n VAL 135 N 5.88 3.19 0.30 0.00 0.24 -1.26 -4.47 118.33 122.20 1g9l n VAL 135 Ca 0.01 -2.56 0.04 0.00 -2.04 0.00 0.00 64.34 59.80 1g9l n VAL 135 Cb 0.48 -1.63 0.19 0.00 -1.47 0.00 0.00 33.84 31.42 1g9l n VAL 135 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1g9l n ASN 136 N 1.08 2.93 0.02 -1.34 4.13 -1.26 -3.82 115.26 117.00 1g9l n ASN 136 Ca 0.45 -2.31 -0.02 0.00 1.68 0.00 0.00 54.58 54.39 1g9l n ASN 136 Cb 0.61 -0.47 -0.01 0.00 -1.54 0.00 0.00 39.78 38.37 1g9l n ASN 136 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1g9l h SER 137 N 2.11 -0.08 0.10 6.41 0.87 -2.01 -3.40 113.55 117.53 1g9l h SER 137 Ca 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.30 1g9l h SER 137 Cb 0.99 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1g9l h SER 137 CO 0.16 0.12 -1.37 0.00 -0.53 0.00 0.00 176.83 175.21 1g9l h ALA 138 N -1.60 0.19 -2.08 6.23 0.00 -1.98 -3.42 119.26 116.61 1g9l h ALA 138 Ca -0.01 -1.09 -0.71 0.00 0.00 0.00 0.00 54.91 53.10 1g9l h ALA 138 Cb 0.08 0.50 -0.20 0.00 0.00 0.00 0.00 17.79 18.17 1g9l h ALA 138 CO 0.02 0.81 0.47 0.99 0.00 0.00 0.00 179.25 181.53 1g9l s THR 139 N -2.46 4.90 0.28 0.00 2.01 -1.25 -5.03 115.64 114.09 1g9l s THR 139 Ca -0.21 -1.50 0.02 0.00 0.31 0.00 0.00 61.69 60.31 1g9l s THR 139 Cb 0.04 -4.63 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 1g9l s THR 139 CO 0.74 -1.31 0.45 -0.83 -0.69 0.00 0.00 174.62 172.99 1g9l s GLY 140 N 3.33 1.40 -0.25 4.40 0.00 -1.26 -4.31 107.32 110.62 1g9l s GLY 140 Ca 0.23 -1.00 -0.16 0.00 0.00 0.00 0.00 44.72 43.80 1g9l s GLY 140 CO -0.03 -0.96 -0.24 -0.62 0.00 0.00 0.00 173.10 171.24 1g9l n VAL 141 N -1.41 1.52 0.07 1.40 0.31 -1.26 -4.62 118.33 114.33 1g9l n VAL 141 Ca -0.06 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.92 1g9l n VAL 141 Cb 0.56 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 1g9l n VAL 141 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1g9l h PRO 142 N -1.00 -0.26 -5.15 5.55 0.11 -2.01 -3.40 132.00 125.84 1g9l h PRO 142 Ca -0.53 0.02 -0.63 0.00 0.11 0.00 0.00 66.00 64.96 1g9l h PRO 142 Cb 1.45 0.06 -0.20 0.00 0.11 0.00 0.00 31.00 32.42 1g9l h PRO 142 CO -0.32 -0.17 -0.61 0.95 -0.21 0.00 0.00 178.00 177.64 1g9l s THR 143 N -6.13 4.44 -2.00 -1.15 -4.23 -1.26 -5.33 115.64 99.98 1g9l s THR 143 Ca -0.15 -0.15 0.29 0.00 -1.18 0.00 0.00 61.69 60.51 1g9l s THR 143 Cb 0.08 -3.02 0.83 0.00 1.34 0.00 0.00 72.50 71.73 1g9l s THR 143 CO 0.66 0.42 2.08 0.55 -0.54 0.00 0.00 174.62 177.79