#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 2.41 -0.53 1.61 0.04 -1.26 -5.00 135.00 132.27 1g9l s PRO 2 Ca 0.00 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 1g9l s PRO 2 Cb 0.00 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.72 1g9l s PRO 2 CO 0.00 -1.54 0.56 -0.51 0.04 0.00 0.00 177.00 175.55 1g9l s LEU 3 N -5.62 5.59 0.00 -3.56 2.01 -1.26 -4.93 118.68 110.91 1g9l s LEU 3 Ca 0.63 -1.41 0.00 0.00 0.01 0.00 0.00 54.13 53.36 1g9l s LEU 3 Cb -0.18 -2.28 0.00 0.00 0.01 0.00 0.00 46.19 43.74 1g9l s LEU 3 CO 0.52 -0.89 0.00 0.61 1.01 0.00 0.00 176.35 177.60 1g9l n GLY 4 N 5.23 -0.26 0.00 -3.19 0.00 -1.26 -5.01 105.19 100.71 1g9l n GLY 4 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1g9l n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g9l n SER 5 N -1.35 0.00 0.00 1.61 7.64 -1.26 -4.72 113.62 115.54 1g9l n SER 5 Ca 0.00 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1g9l n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l n ALA 6 N -3.00 0.00 -3.11 -0.43 0.00 -1.26 -4.84 120.51 107.87 1g9l n ALA 6 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1g9l n ALA 6 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 6.49 -2.74 0.00 0.00 0.00 -1.26 -4.96 120.51 118.04 1g9l n ALA 7 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1g9l n ALA 7 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 16.82 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 8 N -0.91 0.92 0.58 0.00 0.00 -1.26 -4.85 120.51 114.99 1g9l n ALA 8 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1g9l n ALA 8 Cb 0.53 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.81 2.69 -2.36 0.00 0.00 -1.26 -4.86 120.51 113.92 1g9l n ALA 9 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 1g9l n ALA 9 Cb 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 1g9l n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1g9l s THR 10 N -1.63 2.18 1.07 0.00 2.01 -1.26 -5.14 115.64 112.87 1g9l s THR 10 Ca 0.25 -1.46 -0.17 0.00 0.31 0.00 0.00 61.69 60.62 1g9l s THR 10 Cb 0.15 -1.87 0.23 0.00 0.01 0.00 0.00 72.50 71.02 1g9l s THR 10 CO 0.14 0.31 1.17 -2.16 -0.69 0.00 0.00 174.62 173.38 1g9l s PRO 11 N -1.41 -0.20 0.42 4.92 0.04 -1.26 -4.94 135.00 132.56 1g9l s PRO 11 Ca 0.12 -0.04 0.29 0.00 0.04 0.00 0.00 61.00 61.41 1g9l s PRO 11 Cb -0.10 -1.71 1.06 0.00 0.04 0.00 0.00 34.50 33.79 1g9l s PRO 11 CO 0.03 -3.04 1.83 0.00 0.04 0.00 0.00 177.00 175.86 1g9l h ALA 12 N -2.10 1.00 -2.68 8.56 0.00 -2.01 -3.36 119.26 118.67 1g9l h ALA 12 Ca -0.47 0.00 -0.78 0.00 0.00 0.00 0.00 54.91 53.66 1g9l h ALA 12 Cb 1.29 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.79 1g9l h ALA 12 CO 0.42 0.00 0.27 0.14 0.00 0.00 0.00 179.25 180.09 1g9l s VAL 13 N -3.45 5.61 -0.76 0.00 -7.23 -1.26 -4.82 120.40 108.49 1g9l s VAL 13 Ca 0.04 -3.28 0.26 0.00 -1.81 0.00 0.00 61.98 57.19 1g9l s VAL 13 Cb 0.09 -4.41 0.27 0.00 0.56 0.00 0.00 36.38 32.89 1g9l s VAL 13 CO 0.52 -1.13 1.79 0.54 -0.31 0.00 0.00 175.10 176.51 1g9l n ARG 14 N 2.93 0.20 -4.10 4.82 1.74 -1.26 -4.82 116.66 116.17 1g9l n ARG 14 Ca 0.21 0.20 -0.23 0.00 -0.77 0.00 0.00 57.85 57.26 1g9l n ARG 14 Cb 0.40 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 1g9l n ARG 14 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1g9l s THR 15 N -3.10 3.33 -0.22 0.55 -4.23 -1.26 -5.12 115.64 105.59 1g9l s THR 15 Ca 0.10 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 1g9l s THR 15 Cb 0.13 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1g9l s THR 15 CO 0.55 -0.24 0.10 0.68 -0.54 0.00 0.00 174.62 175.18 1g9l s VAL 16 N -2.36 4.91 0.09 2.29 -7.23 -1.26 -5.02 120.40 111.83 1g9l s VAL 16 Ca 0.36 0.02 -0.31 0.00 -1.81 0.00 0.00 61.98 60.25 1g9l s VAL 16 Cb -0.04 -3.27 -0.13 0.00 0.56 0.00 0.00 36.38 33.50 1g9l s VAL 16 CO 0.23 0.38 1.62 -0.65 -0.31 0.00 0.00 175.10 176.37 1g9l h PRO 17 N 7.39 -0.69 -6.08 4.82 0.11 -2.00 -3.43 132.00 132.13 1g9l h PRO 17 Ca -0.37 0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.19 1g9l h PRO 17 Cb 1.17 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 1g9l h PRO 17 CO 0.65 -0.46 -0.34 1.14 -0.21 0.00 0.00 178.00 178.78 1g9l s GLN 18 N -6.02 3.60 1.00 1.05 -2.07 -1.26 -5.10 119.66 110.87 1g9l s GLN 18 Ca -0.17 -0.10 -0.14 0.00 -1.82 0.00 0.00 55.36 53.13 1g9l s GLN 18 Cb 0.06 -2.93 0.19 0.00 -1.09 0.00 0.00 33.01 29.24 1g9l s GLN 18 CO 0.63 0.53 1.13 -0.47 -1.32 0.00 0.00 175.29 175.79 1g9l s TYR 19 N -1.55 1.93 0.80 9.60 5.04 -1.26 -5.04 117.35 126.87 1g9l s TYR 19 Ca 0.37 0.78 -0.12 0.00 -2.44 0.00 0.00 57.07 55.66 1g9l s TYR 19 Cb -0.13 -3.42 0.07 0.00 0.35 0.00 0.00 41.96 38.83 1g9l s TYR 19 CO 0.23 -2.85 1.12 -1.59 -1.34 0.00 0.00 175.55 171.12 1g9l s LYS 20 N -5.26 2.02 -0.59 4.97 -2.85 -1.26 -4.99 119.74 111.79 1g9l s LYS 20 Ca 0.66 0.41 -0.25 0.00 -1.00 0.00 0.00 55.97 55.79 1g9l s LYS 20 Cb -0.14 -1.93 0.04 0.00 -2.06 0.00 0.00 37.83 33.74 1g9l s LYS 20 CO 0.55 -1.61 1.02 0.71 0.10 0.00 0.00 175.35 176.12 1g9l s TYR 21 N -3.32 2.69 0.47 1.78 2.02 -1.26 -5.03 117.35 114.70 1g9l s TYR 21 Ca 0.61 -0.02 -0.08 0.00 -0.37 0.00 0.00 57.07 57.21 1g9l s TYR 21 Cb -0.13 -4.24 0.11 0.00 -0.40 0.00 0.00 41.96 37.30 1g9l s TYR 21 CO 0.52 -1.51 0.47 0.00 -1.57 0.00 0.00 175.55 173.46 1g9l n ALA 22 N 7.87 -1.15 -2.22 3.71 0.00 -1.26 -4.94 120.51 122.52 1g9l n ALA 22 Ca 0.02 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 1g9l n ALA 22 Cb 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -3.30 3.48 -0.26 0.00 0.00 -1.26 -4.89 121.76 115.54 1g9l s ALA 23 Ca 0.29 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1g9l s ALA 23 Cb -0.02 -3.75 0.30 0.00 0.00 0.00 0.00 23.12 19.65 1g9l s ALA 23 CO 0.22 -1.57 1.63 0.41 0.00 0.00 0.00 175.76 176.45 1g9l n GLY 24 N 4.18 3.53 2.06 0.00 0.00 -1.26 -4.31 105.19 109.39 1g9l n GLY 24 Ca 0.16 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1g9l n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1g9l n VAL 25 N -0.13 3.17 -0.65 1.61 3.14 -1.26 -5.00 118.33 119.21 1g9l n VAL 25 Ca 0.30 -2.93 0.00 0.00 -2.96 0.00 0.00 64.34 58.75 1g9l n VAL 25 Cb 0.93 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 1g9l n VAL 25 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1g9l n ARG 26 N -0.96 -0.60 -0.11 1.45 3.00 -1.26 -5.04 116.66 113.12 1g9l n ARG 26 Ca 0.54 0.00 -0.23 0.00 -0.01 0.00 0.00 57.85 58.15 1g9l n ARG 26 Cb 0.99 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.35 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 -2.90 1.90 -4.63 0.55 3.02 -1.26 -4.89 115.26 107.04 1g9l n ASN 27 Ca 0.00 0.40 -0.43 0.00 -0.03 0.00 0.00 54.58 54.53 1g9l n ASN 27 Cb 0.00 -0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 38.25 1g9l n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1g9l s PRO 28 N -2.44 3.73 0.55 3.52 0.04 -1.26 -4.98 135.00 134.16 1g9l s PRO 28 Ca -0.32 2.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 1g9l s PRO 28 Cb 0.09 -4.18 -0.06 0.00 0.04 0.00 0.00 34.50 30.39 1g9l s PRO 28 CO 0.52 -1.40 1.01 -0.65 0.04 0.00 0.00 177.00 176.51 1g9l s GLN 29 N 5.07 3.76 -0.45 4.56 -0.21 -1.26 -5.02 119.66 126.11 1g9l s GLN 29 Ca 0.86 0.97 -0.18 0.00 0.02 0.00 0.00 55.36 57.03 1g9l s GLN 29 Cb -0.33 -2.11 0.04 0.00 1.00 0.00 0.00 33.01 31.61 1g9l s GLN 29 CO 0.35 -0.43 0.48 -0.65 -2.12 0.00 0.00 175.29 172.92 1g9l s GLN 30 N -4.25 3.09 -0.06 2.91 -0.21 -1.26 -4.91 119.66 114.97 1g9l s GLN 30 Ca 0.59 -0.87 0.12 0.00 0.02 0.00 0.00 55.36 55.23 1g9l s GLN 30 Cb -0.11 -4.02 0.46 0.00 1.00 0.00 0.00 33.01 30.34 1g9l s GLN 30 CO 0.36 -0.97 1.33 1.58 -2.12 0.00 0.00 175.29 175.47 1g9l n HIS 31 N 5.69 0.93 -0.01 0.91 -0.00 -1.26 -4.19 115.22 117.29 1g9l n HIS 31 Ca -0.08 -0.38 -0.01 0.00 0.46 0.00 0.00 57.72 57.72 1g9l n HIS 31 Cb 0.46 -0.15 -0.00 0.00 -0.12 0.00 0.00 29.99 30.18 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1g9l h LEU 32 N 2.69 -0.04 0.00 0.27 -0.00 -1.98 -3.44 115.31 112.80 1g9l h LEU 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1g9l h LEU 32 Cb 0.98 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1g9l h LEU 32 CO 0.13 0.31 0.00 0.59 -0.00 0.00 0.00 178.44 179.47 1g9l n ASN 33 N -4.01 0.00 -4.66 -0.43 3.02 -1.26 -4.82 115.26 103.09 1g9l n ASN 33 Ca -0.01 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 1g9l n ASN 33 Cb 0.02 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g9l s ALA 34 N -3.64 3.63 -0.18 5.41 0.00 -1.26 -4.93 121.76 120.80 1g9l s ALA 34 Ca 0.00 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 1g9l s ALA 34 Cb 0.00 -3.70 -0.19 0.00 0.00 0.00 0.00 23.12 19.23 1g9l s ALA 34 CO 0.00 -1.31 0.34 1.96 0.00 0.00 0.00 175.76 176.75 1g9l h GLN 35 N 9.04 0.00 -6.50 0.00 7.50 -1.86 -3.39 115.11 119.90 1g9l h GLN 35 Ca -0.35 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.27 1g9l h GLN 35 Cb 1.15 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.70 1g9l h GLN 35 CO 0.96 0.87 0.69 -1.25 -1.50 0.00 0.00 178.83 178.60 1g9l s PRO 36 N -2.27 4.35 -0.32 1.46 0.04 -1.26 -4.92 135.00 132.09 1g9l s PRO 36 Ca -0.23 1.96 0.10 0.00 0.04 0.00 0.00 61.00 62.87 1g9l s PRO 36 Cb 0.03 -3.33 0.73 0.00 0.04 0.00 0.00 34.50 31.96 1g9l s PRO 36 CO 0.56 -0.40 1.78 0.00 0.04 0.00 0.00 177.00 178.98 1g9l n GLN 37 N 4.16 3.60 0.00 4.56 10.64 -1.26 -4.23 117.38 134.84 1g9l n GLN 37 Ca 0.11 -3.09 0.11 0.00 -1.83 0.00 0.00 57.00 52.29 1g9l n GLN 37 Cb 0.44 -2.18 -0.01 0.00 -0.86 0.00 0.00 30.24 27.62 1g9l n GLN 37 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1g9l n VAL 38 N -0.23 0.00 -0.03 -0.39 3.14 -1.26 -4.49 118.33 115.07 1g9l n VAL 38 Ca 0.40 -0.01 -0.00 0.00 -2.96 0.00 0.00 64.34 61.76 1g9l n VAL 38 Cb 1.35 0.81 -0.00 0.00 -1.06 0.00 0.00 33.84 34.94 1g9l n VAL 38 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1g9l h THR 39 N 0.12 0.00 -0.96 1.55 2.02 -2.01 -3.39 112.91 110.24 1g9l h THR 39 Ca 0.00 -0.57 -0.73 0.00 0.77 0.00 0.00 66.41 65.87 1g9l h THR 39 Cb 0.51 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.82 1g9l h THR 39 CO 0.00 0.00 2.56 1.15 0.37 0.00 0.00 175.52 179.60 1g9l n MET 40 N -3.59 3.97 -2.35 6.66 -0.00 -1.26 -4.18 117.12 116.36 1g9l n MET 40 Ca -0.00 -3.22 -0.03 0.00 -0.00 0.00 0.00 57.70 54.45 1g9l n MET 40 Cb 0.01 -2.82 0.09 0.00 -0.00 0.00 0.00 33.22 30.50 1g9l n MET 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1g9l n GLN 41 N 3.15 1.10 -3.20 3.17 6.02 -1.26 -5.07 117.38 121.28 1g9l n GLN 41 Ca 0.56 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.40 1g9l n GLN 41 Cb 0.30 0.44 -0.02 0.00 1.02 0.00 0.00 30.24 31.97 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 0.10 0.51 0.52 -1.09 0.74 -1.26 -5.05 119.66 114.14 1g9l s GLN 42 Ca 0.07 0.65 -0.20 0.00 0.05 0.00 0.00 55.36 55.93 1g9l s GLN 42 Cb 0.36 0.17 -0.07 0.00 1.10 0.00 0.00 33.01 34.57 1g9l s GLN 42 CO -0.10 -0.84 1.11 -1.25 -0.55 0.00 0.00 175.29 173.66 1g9l s PRO 43 N 2.75 3.51 -0.32 1.67 0.04 -1.26 -4.94 135.00 136.46 1g9l s PRO 43 Ca 0.14 1.58 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1g9l s PRO 43 Cb -0.13 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1g9l s PRO 43 CO -0.23 -0.71 1.89 0.00 0.04 0.00 0.00 177.00 177.98 1g9l s ALA 44 N -1.78 2.80 0.57 8.56 0.00 -1.26 -4.98 121.76 125.67 1g9l s ALA 44 Ca 0.70 0.32 0.06 0.00 0.00 0.00 0.00 51.96 53.05 1g9l s ALA 44 Cb -0.23 -4.04 0.08 0.00 0.00 0.00 0.00 23.12 18.93 1g9l s ALA 44 CO 0.26 -2.73 0.79 0.14 0.00 0.00 0.00 175.76 174.22 1g9l s VAL 45 N 7.31 2.36 0.19 0.00 -7.23 -1.26 -5.12 120.40 116.65 1g9l s VAL 45 Ca 0.83 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1g9l s VAL 45 Cb -0.24 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1g9l s VAL 45 CO 0.33 0.00 0.35 -1.00 -0.31 0.00 0.00 175.10 174.47 1g9l s HIS 46 N -2.71 3.48 0.42 2.82 3.76 -1.26 -5.10 115.29 116.70 1g9l s HIS 46 Ca 0.61 0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 55.61 1g9l s HIS 46 Cb -0.07 -1.73 -0.06 0.00 1.11 0.00 0.00 32.58 31.83 1g9l s HIS 46 CO 0.39 0.43 0.78 0.14 -0.85 0.00 0.00 174.74 175.64 1g9l s VAL 47 N -1.85 4.79 0.18 -0.90 -7.23 -1.26 -5.00 120.40 109.13 1g9l s VAL 47 Ca 0.36 0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 61.14 1g9l s VAL 47 Cb -0.11 -3.75 -0.12 0.00 0.56 0.00 0.00 36.38 32.97 1g9l s VAL 47 CO 0.29 -0.57 1.42 -0.61 -0.31 0.00 0.00 175.10 175.32 1g9l h GLN 48 N 1.11 0.33 -6.45 4.82 5.75 -2.08 -3.41 115.11 115.18 1g9l h GLN 48 Ca -0.47 -0.30 -0.56 0.00 -0.15 0.00 0.00 58.65 57.17 1g9l h GLN 48 Cb 1.19 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 29.73 1g9l h GLN 48 CO 0.63 0.95 0.91 0.20 -2.65 0.00 0.00 178.83 178.88 1g9l s GLY 49 N -4.37 1.17 -0.21 2.39 0.00 -1.26 -4.90 107.32 100.13 1g9l s GLY 49 Ca -0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 43.71 1g9l s GLY 49 CO 0.83 2.44 3.14 0.61 0.00 0.00 0.00 173.10 180.12 1g9l n GLN 50 N 8.32 2.14 -0.03 2.90 10.64 -1.26 -4.51 117.38 135.58 1g9l n GLN 50 Ca 0.07 -1.58 -0.13 0.00 -1.83 0.00 0.00 57.00 53.53 1g9l n GLN 50 Cb 0.49 -2.02 -0.11 0.00 -0.86 0.00 0.00 30.24 27.74 1g9l n GLN 50 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1g9l h GLU 51 N 2.88 -0.03 -6.39 2.61 5.08 -1.96 -3.45 114.58 113.32 1g9l h GLU 51 Ca 0.28 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.10 1g9l h GLU 51 Cb 1.13 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.41 1g9l h GLU 51 CO 0.53 0.65 1.20 -2.30 -1.00 0.00 0.00 179.01 178.09 1g9l n PRO 52 N -4.76 2.81 -2.21 2.33 -0.02 -1.26 -4.94 135.00 126.95 1g9l n PRO 52 Ca -0.09 1.03 -0.41 0.00 -2.02 0.00 0.00 63.50 62.01 1g9l n PRO 52 Cb 0.34 -2.96 -0.03 0.00 -0.02 0.00 0.00 33.50 30.83 1g9l n PRO 52 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1g9l s LEU 53 N 4.00 4.42 0.00 2.45 2.01 -1.26 -4.75 118.68 125.54 1g9l s LEU 53 Ca 0.87 2.42 -0.18 0.00 0.01 0.00 0.00 54.13 57.25 1g9l s LEU 53 Cb -0.46 -3.61 0.06 0.00 0.01 0.00 0.00 46.19 42.19 1g9l s LEU 53 CO 0.42 -0.53 0.85 0.41 1.01 0.00 0.00 176.35 178.50 1g9l n THR 54 N 2.55 0.00 -0.26 5.49 -1.04 -1.26 -4.87 114.28 114.89 1g9l n THR 54 Ca 0.06 -0.40 0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1g9l n THR 54 Cb 0.43 0.59 0.47 0.00 -1.82 0.00 0.00 70.33 70.00 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l h ALA 55 N 2.00 2.09 -0.12 2.41 0.00 -1.59 -0.90 119.26 123.14 1g9l h ALA 55 Ca -0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1g9l h ALA 55 Cb 0.95 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1g9l h ALA 55 CO 0.28 -0.37 -0.01 0.77 0.00 0.00 0.00 179.25 179.92 1g9l h SER 56 N 0.49 0.22 -0.83 0.00 0.02 -1.86 -0.98 113.55 110.61 1g9l h SER 56 Ca 0.47 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1g9l h SER 56 Cb 1.06 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 1g9l h SER 56 CO -0.20 0.50 0.52 0.24 -1.14 0.00 0.00 176.83 176.75 1g9l h MET 57 N -0.06 0.97 -0.33 3.45 2.07 -1.51 -1.31 114.93 118.21 1g9l h MET 57 Ca 0.03 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.59 1g9l h MET 57 Cb 0.39 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 1g9l h MET 57 CO 0.01 0.64 0.13 -0.07 1.07 0.00 0.00 176.91 178.69 1g9l h LEU 58 N 1.00 0.45 -0.07 1.22 3.38 -1.13 -1.33 115.31 118.84 1g9l h LEU 58 Ca 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1g9l h LEU 58 Cb 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1g9l h LEU 58 CO -0.13 0.49 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1g9l n ALA 59 N -2.28 1.44 1.17 1.53 0.00 -0.38 -1.22 120.51 120.76 1g9l n ALA 59 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1g9l n ALA 59 Cb 0.14 -1.17 0.57 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.55 0.22 -2.94 0.00 2.88 -0.50 -4.03 113.62 107.70 1g9l n SER 60 Ca 0.02 -0.02 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1g9l n SER 60 Cb 0.12 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.35 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 -1.33 3.25 -0.07 -1.46 0.00 -0.36 -4.97 120.51 115.57 1g9l n ALA 61 Ca 0.10 -3.73 -0.07 0.00 0.00 0.00 0.00 53.44 49.74 1g9l n ALA 61 Cb 0.31 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 2.95 -0.10 -0.58 0.00 0.11 -1.70 0.46 132.00 133.14 1g9l h PRO 62 Ca 0.08 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1g9l h PRO 62 Cb 0.91 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1g9l h PRO 62 CO 0.61 -0.07 0.00 -0.35 -0.21 0.00 0.00 178.00 177.98 1g9l n PRO 63 N -5.31 2.68 0.00 1.05 -0.04 -1.26 -4.30 135.00 127.81 1g9l n PRO 63 Ca 0.00 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1g9l n PRO 63 Cb 0.23 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.93 0.00 -1.41 0.54 7.27 -0.77 -4.96 117.38 118.99 1g9l n GLN 64 Ca 0.19 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.00 1g9l n GLN 64 Cb 0.58 0.00 0.10 0.00 2.41 0.00 0.00 30.24 33.33 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 0.00 2.73 0.07 3.69 1.02 -0.97 -4.70 120.64 122.47 1g9l n GLU 65 Ca 0.00 -3.46 -0.12 0.00 -0.02 0.00 0.00 57.16 53.56 1g9l n GLU 65 Cb 0.00 -2.20 -0.07 0.00 -0.02 0.00 0.00 31.44 29.15 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1g9l h GLN 66 N 1.75 -0.09 -0.55 3.49 4.15 -0.27 -2.84 115.11 120.75 1g9l h GLN 66 Ca 0.49 0.01 -0.38 0.00 0.77 0.00 0.00 58.65 59.54 1g9l h GLN 66 Cb 1.40 0.02 -0.27 0.00 0.21 0.00 0.00 27.48 28.85 1g9l h GLN 66 CO 1.14 -0.06 -0.43 0.36 -1.93 0.00 0.00 178.83 177.90 1g9l n LYS 67 N -5.14 2.76 0.00 1.69 2.85 -1.26 -4.57 118.16 114.49 1g9l n LYS 67 Ca -0.07 -3.72 0.00 0.00 -1.05 0.00 0.00 58.31 53.47 1g9l n LYS 67 Cb 0.07 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.39 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 -0.90 0.00 0.00 -1.58 1.13 -1.17 -4.77 117.38 110.09 1g9l n GLN 68 Ca 0.39 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.60 1g9l n GLN 68 Cb 0.89 -0.33 0.81 0.00 0.11 0.00 0.00 30.24 31.73 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 -2.85 0.69 -0.27 -1.09 0.00 -1.08 -3.28 117.12 109.24 1g9l n MET 69 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 57.70 57.64 1g9l n MET 69 Cb 0.32 -1.50 0.17 0.00 0.00 0.00 0.00 33.22 32.21 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 0.10 0.98 -2.91 3.17 8.10 -1.81 -2.98 115.31 119.97 1g9l h LEU 70 Ca 0.00 -0.07 -0.14 0.00 0.11 0.00 0.00 57.88 57.79 1g9l h LEU 70 Cb 0.19 -0.25 -0.29 0.00 -0.44 0.00 0.00 40.66 39.87 1g9l h LEU 70 CO 0.00 0.77 -0.90 0.61 -4.11 0.00 0.00 178.44 174.81 1g9l n GLY 71 N -1.24 1.58 0.00 0.17 0.00 -1.24 -4.57 105.19 99.89 1g9l n GLY 71 Ca 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.20 0.00 0.00 1.61 1.02 -1.21 -3.99 120.64 118.28 1g9l n GLU 72 Ca 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1g9l n GLU 72 Cb 1.04 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 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 2.80 0.17 3.49 0.00 -1.13 -4.72 116.66 117.27 1g9l n ARG 73 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1g9l n ARG 73 Cb 0.25 -0.74 0.21 0.00 0.00 0.00 0.00 32.46 32.19 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 -0.91 6.15 3.38 -1.79 -3.35 115.31 118.79 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 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.74 1g9l h LEU 74 CO 0.00 0.39 -0.44 0.15 0.09 0.00 0.00 178.44 178.63 1g9l h PHE 75 N 0.00 -1.31 0.00 1.13 3.57 -1.87 0.88 116.94 119.33 1g9l h PHE 75 Ca -0.00 0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1g9l h PHE 75 Cb 1.10 0.70 0.00 0.00 2.79 0.00 0.00 35.95 40.54 1g9l h PHE 75 CO 0.00 -0.40 0.00 -1.00 -2.23 0.00 0.00 178.31 174.68 1g9l h PRO 76 N -0.05 0.00 0.00 6.41 0.13 -1.92 -2.82 132.00 133.75 1g9l h PRO 76 Ca 0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.38 1g9l h PRO 76 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1g9l h PRO 76 CO -0.91 0.00 -1.26 1.28 -0.23 0.00 0.00 178.00 176.88 1g9l n LEU 77 N -2.36 0.67 0.03 1.56 4.77 0.25 -3.93 117.00 117.99 1g9l n LEU 77 Ca 0.02 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1g9l n LEU 77 Cb 0.27 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1g9l n LEU 77 CO 0.22 -0.11 0.36 0.40 -1.33 0.00 0.00 177.39 176.93 1g9l h ILE 78 N 0.00 1.35 0.00 -0.08 1.08 0.38 -2.62 117.51 117.62 1g9l h ILE 78 Ca -0.02 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 1g9l h ILE 78 Cb 1.07 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 1g9l h ILE 78 CO 0.00 0.63 0.24 0.00 -0.69 0.00 0.00 178.15 178.33 1g9l n GLN 79 N -3.88 0.06 0.01 2.37 6.02 -1.21 0.30 117.38 121.05 1g9l n GLN 79 Ca -0.05 0.48 -0.21 0.00 -0.01 0.00 0.00 57.00 57.22 1g9l n GLN 79 Cb 0.70 -1.93 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 1g9l n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l h ALA 80 N 1.28 0.09 -0.20 -1.58 0.00 -1.66 -3.36 119.26 113.83 1g9l h ALA 80 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 54.91 53.81 1g9l h ALA 80 Cb 0.47 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1g9l h ALA 80 CO 0.00 0.65 -0.49 0.52 0.00 0.00 0.00 179.25 179.94 1g9l h MET 81 N -0.38 0.53 -6.58 0.00 2.86 -0.23 -3.44 114.93 107.70 1g9l h MET 81 Ca -0.25 -0.31 -0.70 0.00 -2.06 0.00 0.00 59.70 56.39 1g9l h MET 81 Cb 1.68 0.02 -0.29 0.00 0.06 0.00 0.00 31.60 33.07 1g9l h MET 81 CO 0.08 0.90 -0.88 -1.01 1.06 0.00 0.00 176.91 177.06 1g9l s HIS 82 N -4.09 2.36 0.16 -0.22 3.76 -0.19 -5.02 115.29 112.05 1g9l s HIS 82 Ca -0.07 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.39 1g9l s HIS 82 Cb 0.12 -1.51 0.31 0.00 1.11 0.00 0.00 32.58 32.60 1g9l s HIS 82 CO 0.83 -0.02 0.86 -2.30 -0.85 0.00 0.00 174.74 173.25 1g9l n PRO 83 N 2.44 -0.05 0.00 8.40 -0.02 -1.26 -4.21 135.00 140.30 1g9l n PRO 83 Ca -0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1g9l n PRO 83 Cb 0.51 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 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 -4.82 0.00 0.69 3.45 -2.24 -1.26 -4.84 114.28 105.26 1g9l n THR 84 Ca 0.10 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.91 1g9l n THR 84 Cb 0.32 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.00 0.00 -1.91 3.22 4.32 -1.26 -3.93 117.00 117.44 1g9l n LEU 85 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 1g9l n LEU 85 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1g9l n LEU 85 CO 0.00 0.00 1.37 0.00 -1.22 0.00 0.00 177.39 177.54 1g9l n ALA 86 N -0.81 5.37 1.18 -1.18 0.00 -1.26 -4.13 120.51 119.68 1g9l n ALA 86 Ca 0.05 -1.24 0.13 0.00 0.00 0.00 0.00 53.44 52.39 1g9l n ALA 86 Cb 0.02 -1.99 0.45 0.00 0.00 0.00 0.00 19.45 17.93 1g9l n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 87 N 2.28 -1.06 0.56 0.00 0.00 -1.25 -4.45 105.19 101.26 1g9l n GLY 87 Ca 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.15 0.00 0.00 1.61 4.81 -1.26 -5.02 118.16 117.15 1g9l n LYS 88 Ca 0.10 -0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1g9l n LYS 88 Cb 0.32 0.42 0.00 0.00 0.02 0.00 0.00 35.03 35.79 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 -0.33 3.15 5.41 -1.26 -2.92 119.36 123.40 1g9l n ILE 89 Ca -0.07 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.80 1g9l n ILE 89 Cb 0.34 -0.00 0.30 0.00 -0.71 0.00 0.00 39.64 39.56 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 0.69 -0.58 1.39 2.02 -1.91 1.08 112.91 115.59 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 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.31 1g9l h THR 90 CO 0.00 0.13 0.40 1.23 0.37 0.00 0.00 175.52 177.65 1g9l h GLY 91 N 0.69 0.29 1.24 2.16 0.00 -1.77 0.22 103.07 105.90 1g9l h GLY 91 Ca 0.55 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 47.58 1g9l h GLY 91 CO -0.39 0.03 -0.81 1.98 0.00 0.00 0.00 176.54 177.35 1g9l h MET 92 N 0.18 0.74 0.00 4.80 -1.53 0.12 -3.16 114.93 116.09 1g9l h MET 92 Ca 0.28 -0.63 0.00 0.00 -3.44 0.00 0.00 59.70 55.91 1g9l h MET 92 Cb 0.84 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 32.03 1g9l h MET 92 CO -0.05 1.23 0.16 1.28 0.14 0.00 0.00 176.91 179.68 1g9l n LEU 93 N -3.91 0.06 -1.76 3.39 7.99 0.75 0.15 117.00 123.67 1g9l n LEU 93 Ca -0.08 0.40 -0.13 0.00 -0.01 0.00 0.00 56.01 56.19 1g9l n LEU 93 Cb 0.76 -0.39 0.21 0.00 -0.11 0.00 0.00 43.42 43.89 1g9l n LEU 93 CO 0.53 -0.42 1.02 0.18 -1.51 0.00 0.00 177.39 177.19 1g9l n LEU 94 N -1.47 5.60 0.00 2.23 7.99 -1.16 -3.86 117.00 126.33 1g9l n LEU 94 Ca -0.00 -3.59 0.00 0.00 -0.01 0.00 0.00 56.01 52.40 1g9l n LEU 94 Cb 0.16 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 1g9l n LEU 94 CO 0.01 1.08 0.00 -1.84 -1.51 0.00 0.00 177.39 175.13 1g9l n GLU 95 N -0.98 0.00 0.00 3.23 0.28 0.39 -5.10 120.64 118.45 1g9l n GLU 95 Ca 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1g9l n GLU 95 Cb 1.38 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.25 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 0.15 -4.65 119.36 118.70 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 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.76 116.55 119.84 1g9l n ASP 97 Ca 0.00 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1g9l n ASP 97 Cb 0.00 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1g9l n ASP 97 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1g9l n ASN 98 N -1.35 0.00 0.13 1.67 4.13 -1.26 -4.69 115.26 113.88 1g9l n ASN 98 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1g9l n ASN 98 Cb 0.11 -0.01 0.12 0.00 -1.54 0.00 0.00 39.78 38.46 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 0.03 6.41 0.02 -1.97 -2.16 113.55 115.88 1g9l h SER 99 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1g9l h SER 99 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1g9l h SER 99 CO 0.00 0.67 -0.88 -0.33 -1.14 0.00 0.00 176.83 175.15 1g9l h GLU 100 N 0.00 0.65 0.00 3.45 3.07 -1.92 -0.01 114.58 119.81 1g9l h GLU 100 Ca -0.01 -0.60 -0.02 0.00 -0.50 0.00 0.00 59.36 58.23 1g9l h GLU 100 Cb 1.23 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1g9l h GLU 100 CO 0.09 1.21 -0.09 1.25 -1.40 0.00 0.00 179.01 180.07 1g9l h LEU 101 N 0.41 0.00 0.02 1.33 5.85 -1.63 0.30 115.31 121.59 1g9l h LEU 101 Ca -0.08 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.44 1g9l h LEU 101 Cb 1.51 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1g9l h LEU 101 CO 0.17 0.09 -1.07 -0.07 -0.34 0.00 0.00 178.44 177.22 1g9l h LEU 102 N 0.00 0.07 -0.59 2.25 3.38 -1.20 -3.34 115.31 115.88 1g9l h LEU 102 Ca -0.00 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.23 1g9l h LEU 102 Cb 0.28 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1g9l h LEU 102 CO 0.01 1.43 0.10 -0.74 0.09 0.00 0.00 178.44 179.33 1g9l h HIS 103 N -0.85 1.03 -0.64 1.13 2.76 -0.85 -2.51 115.15 115.21 1g9l h HIS 103 Ca -0.28 -0.14 0.10 0.00 -2.20 0.00 0.00 60.37 57.85 1g9l h HIS 103 Cb 1.34 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.98 1g9l h HIS 103 CO 0.14 0.89 0.43 0.00 -1.30 0.00 0.00 177.93 178.09 1g9l h MET 104 N 0.87 0.47 0.00 5.26 -0.00 -1.12 0.34 114.93 120.75 1g9l h MET 104 Ca 0.18 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.85 1g9l h MET 104 Cb 0.41 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1g9l h MET 104 CO 0.01 0.31 -0.37 1.28 -0.00 0.00 0.00 176.91 178.14 1g9l n LEU 105 N -4.48 0.43 -0.11 -0.10 4.77 -1.08 -2.73 117.00 113.70 1g9l n LEU 105 Ca 0.11 0.20 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 1g9l n LEU 105 Cb 0.36 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1g9l n LEU 105 CO 0.34 0.04 0.07 -1.84 -1.33 0.00 0.00 177.39 174.67 1g9l n GLU 106 N -1.66 2.48 -3.81 3.23 -0.00 0.51 -4.73 120.64 116.66 1g9l n GLU 106 Ca 0.05 -0.27 -0.13 0.00 -0.00 0.00 0.00 57.16 56.81 1g9l n GLU 106 Cb 0.36 -1.13 -0.14 0.00 -0.00 0.00 0.00 31.44 30.53 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 -1.98 -0.05 0.00 -1.84 0.15 0.89 -5.01 113.70 105.85 1g9l s SER 107 Ca 0.07 0.16 0.18 0.00 0.70 0.00 0.00 55.95 57.07 1g9l s SER 107 Cb 0.10 0.11 1.10 0.00 -1.71 0.00 0.00 66.02 65.63 1g9l s SER 107 CO 0.45 -0.07 1.50 -0.81 1.20 0.00 0.00 173.24 175.51 1g9l n PRO 108 N 3.54 0.61 0.00 5.44 -0.04 -1.26 -2.14 135.00 141.15 1g9l n PRO 108 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1g9l n PRO 108 Cb 0.56 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.97 5.21 -0.01 0.54 1.02 -1.26 -4.67 120.64 120.50 1g9l n GLU 109 Ca 0.14 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.11 1g9l n GLU 109 Cb 0.06 -0.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.91 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 0.27 -1.01 1.62 0.02 -1.67 0.16 113.55 112.94 1g9l h SER 110 Ca 0.00 -0.92 0.27 0.00 -0.84 0.00 0.00 61.79 60.30 1g9l h SER 110 Cb 0.00 -0.09 -0.13 0.00 0.14 0.00 0.00 62.40 62.32 1g9l h SER 110 CO 0.00 1.17 0.60 0.25 -1.14 0.00 0.00 176.83 177.71 1g9l h LEU 111 N -0.58 0.61 0.00 5.07 7.12 -1.58 0.80 115.31 126.74 1g9l h LEU 111 Ca -0.07 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 1g9l h LEU 111 Cb 1.28 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1g9l h LEU 111 CO 0.08 0.04 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.33 1g9l h ARG 112 N 0.49 0.00 0.07 1.25 2.43 -1.82 -2.96 114.38 113.85 1g9l h ARG 112 Ca 0.67 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.86 1g9l h ARG 112 Cb 1.39 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.89 1g9l h ARG 112 CO -0.49 0.08 -0.39 1.03 -1.51 0.00 0.00 179.97 178.69 1g9l h SER 113 N -1.00 -1.15 -0.60 -3.80 0.87 -0.18 0.66 113.55 108.35 1g9l h SER 113 Ca -0.00 0.13 0.13 0.00 -1.23 0.00 0.00 61.79 60.83 1g9l h SER 113 Cb 0.09 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1g9l h SER 113 CO -0.00 -0.45 0.41 0.11 -0.53 0.00 0.00 176.83 176.37 1g9l h LYS 114 N -0.59 0.23 0.48 2.24 1.79 0.42 0.74 116.57 121.87 1g9l h LYS 114 Ca 0.04 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1g9l h LYS 114 Cb 0.64 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1g9l h LYS 114 CO -0.26 0.15 -0.23 0.28 -1.08 0.00 0.00 179.45 178.31 1g9l h VAL 115 N 0.23 0.00 -1.00 0.50 2.07 -0.97 0.18 116.25 117.27 1g9l h VAL 115 Ca 0.29 -0.43 0.23 0.00 0.82 0.00 0.00 66.70 67.61 1g9l h VAL 115 Cb 0.80 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 1g9l h VAL 115 CO -0.06 0.00 0.64 -0.78 0.02 0.00 0.00 177.57 177.39 1g9l h ASP 116 N -1.08 0.51 -0.07 0.57 1.82 -0.50 0.38 116.42 118.05 1g9l h ASP 116 Ca -0.07 0.08 -0.22 0.00 -0.39 0.00 0.00 57.03 56.43 1g9l h ASP 116 Cb 0.49 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.50 1g9l h ASP 116 CO 0.11 0.15 -0.78 -0.33 -1.61 0.00 0.00 179.24 176.78 1g9l h GLU 117 N 0.48 0.72 -0.00 0.28 5.08 -0.86 -2.91 114.58 117.36 1g9l h GLU 117 Ca 0.56 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1g9l h GLU 117 Cb 1.29 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1g9l h GLU 117 CO -0.28 1.21 -0.09 0.00 -1.00 0.00 0.00 179.01 178.84 1g9l h ALA 118 N 0.62 1.85 0.12 3.43 0.00 0.28 -2.19 119.26 123.37 1g9l h ALA 118 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1g9l h ALA 118 Cb 1.40 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1g9l h ALA 118 CO 0.16 0.12 -0.22 0.28 0.00 0.00 0.00 179.25 179.58 1g9l h VAL 119 N 0.00 0.51 -0.46 0.00 2.07 -0.58 0.99 116.25 118.77 1g9l h VAL 119 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1g9l h VAL 119 Cb 0.16 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1g9l h VAL 119 CO 0.01 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.03 1g9l h ALA 120 N 0.37 2.24 0.03 1.67 0.00 -1.38 0.35 119.26 122.54 1g9l h ALA 120 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1g9l h ALA 120 Cb 0.43 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1g9l h ALA 120 CO -0.12 -0.67 -1.46 0.28 0.00 0.00 0.00 179.25 177.28 1g9l h VAL 121 N 0.00 1.18 -0.21 0.00 2.07 -0.57 -2.88 116.25 115.83 1g9l h VAL 121 Ca 0.22 -2.93 -0.12 0.00 0.82 0.00 0.00 66.70 64.69 1g9l h VAL 121 Cb 1.08 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1g9l h VAL 121 CO -0.00 0.73 -0.33 0.25 0.02 0.00 0.00 177.57 178.24 1g9l h LEU 122 N 0.02 0.66 -1.36 2.57 5.85 0.45 0.50 115.31 124.00 1g9l h LEU 122 Ca -0.20 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 57.95 1g9l h LEU 122 Cb 1.94 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 1g9l h LEU 122 CO 0.11 1.05 -0.25 1.56 -0.34 0.00 0.00 178.44 180.58 1g9l h GLN 123 N 0.29 0.00 0.00 1.25 1.08 -0.83 0.28 115.11 117.18 1g9l h GLN 123 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1g9l h GLN 123 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1g9l h GLN 123 CO 0.08 0.25 -0.55 0.00 -0.95 0.00 0.00 178.83 177.66 1g9l n ALA 124 N -2.29 3.14 0.30 3.87 0.00 -1.09 -3.89 120.51 120.55 1g9l n ALA 124 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 53.44 53.18 1g9l n ALA 124 Cb 0.38 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.83 0.00 0.00 0.00 -0.00 0.15 -3.97 115.22 109.56 1g9l n HIS 125 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1g9l n HIS 125 Cb 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 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 -0.05 0.00 -0.61 1.57 1.13 0.92 -4.18 117.38 116.15 1g9l n GLN 126 Ca 0.03 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.15 1g9l n GLN 126 Cb 0.15 0.00 0.30 0.00 0.11 0.00 0.00 30.24 30.81 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 3.34 -1.00 -1.58 0.00 -1.26 -4.51 120.51 112.50 1g9l n ALA 127 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1g9l n ALA 127 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.62 1.75 0.06 0.00 5.02 -1.26 -4.96 118.16 119.40 1g9l n LYS 128 Ca 0.21 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 1g9l n LYS 128 Cb 0.88 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 36.10 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1g9l n GLU 129 N 0.00 0.27 0.11 1.97 4.71 -1.26 -3.66 120.64 122.78 1g9l n GLU 129 Ca 0.00 0.10 0.11 0.00 -0.01 0.00 0.00 57.16 57.36 1g9l n GLU 129 Cb 0.00 -1.69 0.46 0.00 -1.01 0.00 0.00 31.44 29.19 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 -1.81 1.62 -1.65 0.62 0.00 -1.25 -4.66 120.51 113.38 1g9l n ALA 130 Ca 0.04 0.07 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 1g9l n ALA 130 Cb 0.43 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 131 N -3.27 1.90 0.18 0.00 0.00 -1.24 -4.94 121.76 114.39 1g9l s ALA 131 Ca 0.04 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1g9l s ALA 131 Cb 0.09 -4.29 -0.08 0.00 0.00 0.00 0.00 23.12 18.84 1g9l s ALA 131 CO 0.36 -4.10 0.93 -0.65 0.00 0.00 0.00 175.76 172.29 1g9l s GLN 132 N 7.74 4.76 0.50 0.00 -0.21 -1.26 -5.05 119.66 126.15 1g9l s GLN 132 Ca 0.93 1.43 -0.16 0.00 0.02 0.00 0.00 55.36 57.58 1g9l s GLN 132 Cb -0.19 -3.32 -0.08 0.00 1.00 0.00 0.00 33.01 30.43 1g9l s GLN 132 CO 0.27 0.41 0.97 0.15 -2.12 0.00 0.00 175.29 174.96 1g9l s LYS 133 N -0.71 3.94 -1.19 2.91 1.02 -1.26 -4.99 119.74 119.46 1g9l s LYS 133 Ca 0.43 0.92 -0.11 0.00 0.02 0.00 0.00 55.97 57.23 1g9l s LYS 133 Cb -0.25 -2.16 0.21 0.00 -0.52 0.00 0.00 37.83 35.12 1g9l s LYS 133 CO 0.30 -0.24 1.43 0.00 -0.92 0.00 0.00 175.35 175.92 1g9l n ALA 134 N -1.53 4.35 -0.09 5.17 0.00 -1.26 -4.66 120.51 122.50 1g9l n ALA 134 Ca 0.06 -4.42 -0.08 0.00 0.00 0.00 0.00 53.44 49.00 1g9l n ALA 134 Cb 0.54 -2.82 -0.16 0.00 0.00 0.00 0.00 19.45 17.01 1g9l n ALA 134 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1g9l n VAL 135 N 3.56 1.24 -2.24 0.00 3.14 -1.26 -4.98 118.33 117.79 1g9l n VAL 135 Ca 0.33 -0.82 -0.27 0.00 -2.96 0.00 0.00 64.34 60.62 1g9l n VAL 135 Cb 0.40 -0.43 0.05 0.00 -1.06 0.00 0.00 33.84 32.79 1g9l n VAL 135 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1g9l s ASN 136 N -5.41 5.31 -0.11 6.55 2.47 -1.26 -4.98 114.94 117.51 1g9l s ASN 136 Ca -0.10 0.71 0.13 0.00 0.42 0.00 0.00 52.86 54.02 1g9l s ASN 136 Cb 0.07 -1.56 0.56 0.00 -1.45 0.00 0.00 41.25 38.87 1g9l s ASN 136 CO 0.84 -1.29 1.41 -0.24 -3.72 0.00 0.00 177.10 174.10 1g9l n SER 137 N -2.77 3.90 -0.17 -4.21 2.88 -1.26 -4.06 113.62 107.93 1g9l n SER 137 Ca 0.06 -2.43 0.15 0.00 -1.33 0.00 0.00 58.87 55.32 1g9l n SER 137 Cb 0.58 -0.54 0.67 0.00 -0.75 0.00 0.00 64.21 64.18 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 138 N 0.70 2.70 -2.65 -1.46 0.00 -1.26 -4.84 120.51 113.70 1g9l n ALA 138 Ca 0.20 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 1g9l n ALA 138 Cb 0.77 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 1g9l n ALA 138 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g9l s THR 139 N -2.25 5.19 -0.41 0.00 -4.23 -1.26 -5.05 115.64 107.63 1g9l s THR 139 Ca 0.36 0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 60.97 1g9l s THR 139 Cb 0.21 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.46 1g9l s THR 139 CO 0.42 0.39 1.16 -0.83 -0.54 0.00 0.00 174.62 175.22 1g9l s GLY 140 N -1.56 1.37 0.26 3.99 0.00 -1.26 -5.01 107.32 105.10 1g9l s GLY 140 Ca 0.28 -0.26 -0.29 0.00 0.00 0.00 0.00 44.72 44.44 1g9l s GLY 140 CO 0.15 2.42 0.98 -1.34 0.00 0.00 0.00 173.10 175.31 1g9l s VAL 141 N 4.29 3.95 -0.56 1.40 -7.23 -1.26 -4.98 120.40 116.01 1g9l s VAL 141 Ca 0.49 1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 62.30 1g9l s VAL 141 Cb -0.10 -4.19 -0.00 0.00 0.56 0.00 0.00 36.38 32.64 1g9l s VAL 141 CO 0.26 0.41 1.64 -2.16 -0.31 0.00 0.00 175.10 174.94 1g9l s PRO 142 N -1.39 3.03 0.00 4.82 0.04 -1.26 -4.89 135.00 135.35 1g9l s PRO 142 Ca 0.43 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1g9l s PRO 142 Cb -0.26 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1g9l s PRO 142 CO 0.33 -2.26 0.00 2.41 0.04 0.00 0.00 177.00 177.52 1g9l n THR 143 N 7.05 0.00 0.47 1.26 -1.04 -1.26 -5.36 114.28 115.40 1g9l n THR 143 Ca 0.16 0.28 0.06 0.00 -2.04 0.00 0.00 64.05 62.51 1g9l n THR 143 Cb 0.50 -0.92 0.05 0.00 -1.82 0.00 0.00 70.33 68.13 1g9l n THR 143 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98