#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l h PRO 2 N 0.00 0.00 -7.01 1.61 0.11 -2.09 -3.42 132.00 121.20 1g9l h PRO 2 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1g9l h PRO 2 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 31.00 31.17 1g9l h PRO 2 CO 0.00 0.00 0.48 -0.51 -0.21 0.00 0.00 178.00 177.76 1g9l s LEU 3 N -6.36 3.99 0.06 2.35 1.02 -1.26 -5.04 118.68 113.44 1g9l s LEU 3 Ca -0.05 2.28 0.02 0.00 0.02 0.00 0.00 54.13 56.41 1g9l s LEU 3 Cb 0.13 -4.28 -0.04 0.00 0.02 0.00 0.00 46.19 42.02 1g9l s LEU 3 CO 0.41 -0.93 0.10 -0.83 0.02 0.00 0.00 176.35 175.11 1g9l s GLY 4 N -1.41 2.04 -0.08 -3.19 0.00 -1.26 -5.01 107.32 98.41 1g9l s GLY 4 Ca 0.64 -0.97 0.16 0.00 0.00 0.00 0.00 44.72 44.55 1g9l s GLY 4 CO 0.34 -0.93 0.24 -1.26 0.00 0.00 0.00 173.10 171.48 1g9l n SER 5 N 0.55 1.16 -3.02 1.64 2.88 -1.26 -5.06 113.62 110.51 1g9l n SER 5 Ca -0.09 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.30 1g9l n SER 5 Cb 0.52 1.40 0.02 0.00 -0.75 0.00 0.00 64.21 65.39 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 -2.29 -2.83 -2.47 -1.46 0.00 -1.26 -5.05 120.51 105.15 1g9l n ALA 6 Ca -0.12 0.94 -0.10 0.00 0.00 0.00 0.00 53.44 54.16 1g9l n ALA 6 Cb 0.68 -3.36 -0.08 0.00 0.00 0.00 0.00 19.45 16.69 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 7 N -2.36 0.49 -0.15 0.00 0.00 -1.26 -5.15 121.76 113.33 1g9l s ALA 7 Ca 0.27 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1g9l s ALA 7 Cb -0.06 0.98 0.04 0.00 0.00 0.00 0.00 23.12 24.08 1g9l s ALA 7 CO 0.80 -0.60 -0.01 0.00 0.00 0.00 0.00 175.76 175.94 1g9l s ALA 8 N -4.04 1.12 -0.45 0.00 0.00 -1.26 -4.93 121.76 112.20 1g9l s ALA 8 Ca 0.24 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 1g9l s ALA 8 Cb 0.05 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1g9l s ALA 8 CO 0.04 -0.80 0.62 0.00 0.00 0.00 0.00 175.76 175.61 1g9l n ALA 9 N 5.00 -2.86 -3.63 0.00 0.00 -1.26 -5.04 120.51 112.73 1g9l n ALA 9 Ca -0.10 0.96 -0.23 0.00 0.00 0.00 0.00 53.44 54.08 1g9l n ALA 9 Cb 0.48 -3.39 -0.17 0.00 0.00 0.00 0.00 19.45 16.38 1g9l n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g9l s THR 10 N -2.43 0.77 0.92 0.00 -4.23 -1.26 -5.15 115.64 104.25 1g9l s THR 10 Ca 0.26 -0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 1g9l s THR 10 Cb -0.06 -0.77 0.14 0.00 1.34 0.00 0.00 72.50 73.15 1g9l s THR 10 CO 0.79 0.29 1.13 -2.16 -0.54 0.00 0.00 174.62 174.13 1g9l s PRO 11 N 1.06 1.09 -0.01 3.99 0.04 -1.26 -5.00 135.00 134.90 1g9l s PRO 11 Ca -0.08 0.30 0.22 0.00 0.04 0.00 0.00 61.00 61.48 1g9l s PRO 11 Cb -0.14 -1.83 -0.31 0.00 0.04 0.00 0.00 34.50 32.25 1g9l s PRO 11 CO -0.01 -2.23 0.53 0.00 0.04 0.00 0.00 177.00 175.33 1g9l n ALA 12 N -3.79 2.84 -2.90 8.56 0.00 -1.26 -4.95 120.51 119.00 1g9l n ALA 12 Ca 0.06 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 1g9l n ALA 12 Cb 0.59 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 1g9l n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1g9l s VAL 13 N -3.50 5.24 -0.38 0.00 1.01 -1.26 -5.00 120.40 116.51 1g9l s VAL 13 Ca -0.07 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1g9l s VAL 13 Cb 0.14 -3.57 0.56 0.00 0.00 0.00 0.00 36.38 33.50 1g9l s VAL 13 CO 0.90 0.10 1.58 0.54 0.00 0.00 0.00 175.10 178.22 1g9l n ARG 14 N 0.19 2.89 -3.14 2.72 3.00 -1.26 -4.94 116.66 116.12 1g9l n ARG 14 Ca -0.06 -2.33 -0.27 0.00 -0.01 0.00 0.00 57.85 55.18 1g9l n ARG 14 Cb 0.52 -1.98 -0.02 0.00 0.00 0.00 0.00 32.46 30.98 1g9l n ARG 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1g9l s THR 15 N -2.42 5.00 -0.46 0.55 2.01 -1.26 -5.06 115.64 114.00 1g9l s THR 15 Ca 0.42 -0.02 -0.17 0.00 0.31 0.00 0.00 61.69 62.23 1g9l s THR 15 Cb 0.34 -3.81 0.05 0.00 0.01 0.00 0.00 72.50 69.09 1g9l s THR 15 CO 0.10 -0.54 0.46 0.54 -0.69 0.00 0.00 174.62 174.48 1g9l s VAL 16 N -2.34 5.10 0.00 3.82 0.11 -1.26 -4.99 120.40 120.84 1g9l s VAL 16 Ca 0.44 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1g9l s VAL 16 Cb -0.10 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 1g9l s VAL 16 CO 0.36 -0.57 0.20 -2.65 -3.33 0.00 0.00 175.10 169.11 1g9l n PRO 17 N 5.56 0.00 -2.17 1.54 -0.02 -1.26 -4.95 135.00 133.70 1g9l n PRO 17 Ca -0.09 0.09 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1g9l n PRO 17 Cb 0.45 -0.76 0.16 0.00 -0.02 0.00 0.00 33.50 33.34 1g9l n PRO 17 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1g9l s GLN 18 N -0.57 0.96 -0.00 -0.52 -2.07 -1.26 -5.01 119.66 111.18 1g9l s GLN 18 Ca 0.00 -0.68 -0.30 0.00 -1.82 0.00 0.00 55.36 52.56 1g9l s GLN 18 Cb 0.00 -2.01 -0.05 0.00 -1.09 0.00 0.00 33.01 29.86 1g9l s GLN 18 CO 0.00 -2.11 1.27 -0.47 -1.32 0.00 0.00 175.29 172.66 1g9l s TYR 19 N -3.64 3.15 0.93 9.60 5.04 -1.26 -5.02 117.35 126.15 1g9l s TYR 19 Ca 0.72 1.11 -0.14 0.00 -2.44 0.00 0.00 57.07 56.31 1g9l s TYR 19 Cb -0.04 -3.50 0.16 0.00 0.35 0.00 0.00 41.96 38.93 1g9l s TYR 19 CO 0.50 -1.68 1.22 0.15 -1.34 0.00 0.00 175.55 174.40 1g9l s LYS 20 N 1.94 0.93 0.49 4.97 1.02 -1.26 -5.08 119.74 122.75 1g9l s LYS 20 Ca 0.59 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.53 1g9l s LYS 20 Cb -0.28 -1.85 0.01 0.00 -0.52 0.00 0.00 37.83 35.19 1g9l s LYS 20 CO 0.25 -2.27 0.71 0.71 -0.92 0.00 0.00 175.35 173.83 1g9l s TYR 21 N -3.57 3.06 -0.10 3.18 1.51 -1.26 -5.04 117.35 115.13 1g9l s TYR 21 Ca 0.68 0.11 -0.19 0.00 -1.01 0.00 0.00 57.07 56.66 1g9l s TYR 21 Cb -0.09 -2.50 -0.28 0.00 -0.11 0.00 0.00 41.96 38.98 1g9l s TYR 21 CO 0.52 -0.58 0.64 0.00 -1.11 0.00 0.00 175.55 175.03 1g9l h ALA 22 N 0.27 0.09 0.00 3.71 0.00 -2.06 -3.31 119.26 117.96 1g9l h ALA 22 Ca -0.44 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.52 1g9l h ALA 22 Cb 1.27 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1g9l h ALA 22 CO 0.55 0.65 0.00 0.00 0.00 0.00 0.00 179.25 180.45 1g9l h ALA 23 N -0.03 1.00 -0.69 0.00 0.00 -2.06 -3.37 119.26 114.10 1g9l h ALA 23 Ca -0.24 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.05 1g9l h ALA 23 Cb 1.66 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.39 1g9l h ALA 23 CO 0.07 0.00 2.07 0.41 0.00 0.00 0.00 179.25 181.79 1g9l n GLY 24 N -0.36 2.43 0.08 0.00 0.00 -1.25 -4.59 105.19 101.50 1g9l n GLY 24 Ca 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 6.56 1.12 0.03 1.61 0.31 -1.26 -4.09 118.33 122.60 1g9l n VAL 25 Ca 0.48 -0.72 -0.02 0.00 -0.01 0.00 0.00 64.34 64.07 1g9l n VAL 25 Cb 0.45 -0.58 0.16 0.00 -0.91 0.00 0.00 33.84 32.96 1g9l n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1g9l n ARG 26 N -2.77 2.42 -0.01 5.55 1.74 -1.26 -4.32 116.66 118.01 1g9l n ARG 26 Ca -0.16 -1.49 -0.13 0.00 -0.77 0.00 0.00 57.85 55.30 1g9l n ARG 26 Cb 0.92 -1.76 -0.10 0.00 -1.02 0.00 0.00 32.46 30.50 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1g9l h ASN 27 N 1.40 -0.05 -1.42 0.55 2.35 -1.95 -3.41 115.58 113.05 1g9l h ASN 27 Ca 0.11 -0.55 -0.43 0.00 -0.55 0.00 0.00 56.30 54.88 1g9l h ASN 27 Cb 1.47 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.80 1g9l h ASN 27 CO 0.35 0.56 1.09 -2.16 -1.65 0.00 0.00 177.43 175.62 1g9l s PRO 28 N -3.59 2.77 -0.89 0.81 0.04 -1.26 -4.93 135.00 127.95 1g9l s PRO 28 Ca -0.16 -0.04 -0.22 0.00 0.04 0.00 0.00 61.00 60.62 1g9l s PRO 28 Cb 0.00 -4.75 0.07 0.00 0.04 0.00 0.00 34.50 29.87 1g9l s PRO 28 CO 0.62 -2.87 1.25 -0.65 0.04 0.00 0.00 177.00 175.40 1g9l s GLN 29 N 6.65 3.45 0.00 4.56 -0.21 -1.26 -4.89 119.66 127.96 1g9l s GLN 29 Ca 0.62 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1g9l s GLN 29 Cb -0.08 -4.85 0.00 0.00 1.00 0.00 0.00 33.01 29.07 1g9l s GLN 29 CO 0.08 -2.02 0.19 1.04 -2.12 0.00 0.00 175.29 172.46 1g9l n GLN 30 N 8.15 0.00 -2.12 2.91 1.13 -1.26 -4.89 117.38 121.29 1g9l n GLN 30 Ca 0.19 0.07 -0.17 0.00 -1.94 0.00 0.00 57.00 55.16 1g9l n GLN 30 Cb 0.49 -0.74 -0.03 0.00 0.11 0.00 0.00 30.24 30.08 1g9l n GLN 30 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1g9l n HIS 31 N -0.70 -0.89 -0.02 1.08 8.25 -1.26 -4.88 115.22 116.80 1g9l n HIS 31 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1g9l n HIS 31 Cb 0.00 -3.25 -0.00 0.00 1.12 0.00 0.00 29.99 27.86 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1g9l h LEU 32 N 0.00 0.00-10.56 2.41 3.38 -2.02 -3.48 115.31 105.04 1g9l h LEU 32 Ca -0.38 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.14 1g9l h LEU 32 Cb 1.23 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.04 1g9l h LEU 32 CO 0.48 0.19 0.04 0.20 0.09 0.00 0.00 178.44 179.44 1g9l s ASN 33 N -3.98 4.96 0.04 -0.43 0.02 -1.26 -5.05 114.94 109.25 1g9l s ASN 33 Ca -0.00 -0.03 -0.30 0.00 -1.02 0.00 0.00 52.86 51.50 1g9l s ASN 33 Cb 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 41.25 40.53 1g9l s ASN 33 CO 0.01 -1.40 1.20 0.00 0.02 0.00 0.00 177.10 176.93 1g9l s ALA 34 N -2.94 3.41 -0.19 0.60 0.00 -1.26 -4.96 121.76 116.42 1g9l s ALA 34 Ca 0.60 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 53.15 1g9l s ALA 34 Cb -0.09 -3.46 -0.19 0.00 0.00 0.00 0.00 23.12 19.38 1g9l s ALA 34 CO 0.41 -0.49 0.31 1.96 0.00 0.00 0.00 175.76 177.94 1g9l h GLN 35 N 6.94 0.00 0.00 0.00 4.20 -1.99 -3.48 115.11 120.78 1g9l h GLN 35 Ca -0.40 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.22 1g9l h GLN 35 Cb 1.21 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.02 1g9l h GLN 35 CO 0.82 0.91 0.04 -0.35 -0.67 0.00 0.00 178.83 179.58 1g9l n PRO 36 N -4.49 -1.22 -3.38 1.46 -0.04 -1.26 -5.01 135.00 121.06 1g9l n PRO 36 Ca -0.25 -0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 62.46 1g9l n PRO 36 Cb 0.59 -0.32 -0.08 0.00 -0.04 0.00 0.00 33.50 33.65 1g9l n PRO 36 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g9l s GLN 37 N -3.52 4.11 -0.08 0.54 -1.52 -1.26 -4.95 119.66 112.98 1g9l s GLN 37 Ca 0.15 0.15 0.14 0.00 -1.95 0.00 0.00 55.36 53.84 1g9l s GLN 37 Cb -0.01 -3.58 -0.24 0.00 -0.22 0.00 0.00 33.01 28.96 1g9l s GLN 37 CO 0.11 -0.14 0.51 0.28 -0.25 0.00 0.00 175.29 175.80 1g9l n VAL 38 N 4.66 1.56 0.50 1.09 0.31 -1.26 -4.04 118.33 121.15 1g9l n VAL 38 Ca -0.08 -0.81 0.13 0.00 -0.01 0.00 0.00 64.34 63.57 1g9l n VAL 38 Cb 0.51 -0.92 0.32 0.00 -0.91 0.00 0.00 33.84 32.84 1g9l n VAL 38 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1g9l h THR 39 N 0.00 0.00 -0.87 2.52 2.02 -1.94 -3.28 112.91 111.35 1g9l h THR 39 Ca -0.35 -0.64 -0.56 0.00 0.77 0.00 0.00 66.41 65.64 1g9l h THR 39 Cb 2.07 1.60 -0.23 0.00 -1.74 0.00 0.00 68.15 69.85 1g9l h THR 39 CO 0.07 0.00 0.72 0.80 0.37 0.00 0.00 175.52 177.47 1g9l n MET 40 N -2.50 2.38 -2.98 6.66 0.00 -1.26 -4.57 117.12 114.86 1g9l n MET 40 Ca 0.05 -2.68 0.00 0.00 0.00 0.00 0.00 57.70 55.07 1g9l n MET 40 Cb 0.46 -2.05 0.00 0.00 0.00 0.00 0.00 33.22 31.63 1g9l n MET 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1g9l s GLN 41 N -3.09 0.62 -0.24 2.12 0.74 -1.24 -5.01 119.66 113.56 1g9l s GLN 41 Ca 0.53 -0.31 -0.01 0.00 0.05 0.00 0.00 55.36 55.62 1g9l s GLN 41 Cb 0.41 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.57 1g9l s GLN 41 CO -0.04 -0.86 0.02 1.04 -0.55 0.00 0.00 175.29 174.91 1g9l n GLN 42 N 3.86 -3.08 -1.58 1.67 6.02 -1.26 -4.88 117.38 118.13 1g9l n GLN 42 Ca 0.10 2.53 -0.41 0.00 -0.01 0.00 0.00 57.00 59.21 1g9l n GLN 42 Cb 0.59 -4.59 0.01 0.00 1.02 0.00 0.00 30.24 27.28 1g9l n GLN 42 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1g9l n PRO 43 N 0.94 1.16 -2.76 -1.09 -0.02 -1.26 -4.88 135.00 127.09 1g9l n PRO 43 Ca -0.04 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 1g9l n PRO 43 Cb 0.14 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l s ALA 44 N -1.33 3.22 0.00 3.55 0.00 -1.26 -4.96 121.76 120.97 1g9l s ALA 44 Ca 0.64 -2.69 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1g9l s ALA 44 Cb -0.55 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.28 1g9l s ALA 44 CO 0.56 -3.21 0.00 1.33 0.00 0.00 0.00 175.76 174.44 1g9l n VAL 45 N 5.96 0.00 -1.99 0.00 0.24 -1.26 -4.99 118.33 116.29 1g9l n VAL 45 Ca 0.32 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.19 1g9l n VAL 45 Cb 0.49 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1g9l n VAL 45 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1g9l n HIS 46 N -0.28 3.88 -3.28 6.34 8.25 -1.26 -4.93 115.22 123.94 1g9l n HIS 46 Ca 0.00 -2.94 -0.19 0.00 -0.26 0.00 0.00 57.72 54.33 1g9l n HIS 46 Cb 0.00 -2.58 -0.00 0.00 1.12 0.00 0.00 29.99 28.53 1g9l n HIS 46 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1g9l s VAL 47 N 3.50 2.69 0.00 1.59 -7.23 -1.26 -5.14 120.40 114.54 1g9l s VAL 47 Ca 0.49 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1g9l s VAL 47 Cb 0.11 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1g9l s VAL 47 CO -0.04 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.42 1g9l n GLN 48 N -1.78 3.27 -2.27 4.82 7.27 -1.26 -4.95 117.38 122.48 1g9l n GLN 48 Ca 0.07 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.71 1g9l n GLN 48 Cb 0.61 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.23 1g9l n GLN 48 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1g9l s GLY 49 N 0.00 1.62 0.50 1.69 0.00 -1.26 -5.01 107.32 104.86 1g9l s GLY 49 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 44.72 45.41 1g9l s GLY 49 CO 0.00 2.68 0.69 -0.86 0.00 0.00 0.00 173.10 175.60 1g9l s GLN 50 N 3.61 2.62 0.83 2.90 -2.07 -1.26 -5.09 119.66 121.20 1g9l s GLN 50 Ca 0.61 -1.11 -0.11 0.00 -1.82 0.00 0.00 55.36 52.94 1g9l s GLN 50 Cb -0.26 -2.63 0.10 0.00 -1.09 0.00 0.00 33.01 29.12 1g9l s GLN 50 CO 0.20 -0.54 1.12 -1.83 -1.32 0.00 0.00 175.29 172.92 1g9l s GLU 51 N -4.57 1.69 0.00 9.60 4.04 -1.26 -4.79 118.70 123.42 1g9l s GLU 51 Ca 0.57 1.38 0.00 0.00 0.04 0.00 0.00 54.97 56.96 1g9l s GLU 51 Cb -0.09 -1.82 0.00 0.00 0.02 0.00 0.00 34.13 32.24 1g9l s GLU 51 CO 0.36 -2.10 0.00 -0.35 -1.84 0.00 0.00 175.26 171.33 1g9l n PRO 52 N -3.79 2.50 -2.06 -4.83 -0.04 -1.26 -5.11 135.00 120.42 1g9l n PRO 52 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1g9l n PRO 52 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 53 N 0.00 3.61 0.00 1.53 2.96 -1.26 -4.97 118.68 120.55 1g9l s LEU 53 Ca 0.00 2.14 -0.13 0.00 -0.22 0.00 0.00 54.13 55.92 1g9l s LEU 53 Cb 0.00 -4.57 0.05 0.00 0.50 0.00 0.00 46.19 42.17 1g9l s LEU 53 CO 0.00 -1.41 0.64 0.41 -1.32 0.00 0.00 176.35 174.67 1g9l n THR 54 N -1.73 0.00 -0.33 3.68 -1.04 -1.26 -4.88 114.28 108.72 1g9l n THR 54 Ca 0.11 -0.61 0.18 0.00 -2.04 0.00 0.00 64.05 61.69 1g9l n THR 54 Cb 0.51 0.66 0.43 0.00 -1.82 0.00 0.00 70.33 70.11 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 1.97 -0.45 2.41 0.00 -1.50 0.16 119.26 123.85 1g9l h ALA 55 Ca -0.23 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1g9l h ALA 55 Cb 0.89 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1g9l h ALA 55 CO 0.29 -0.36 0.25 0.77 0.00 0.00 0.00 179.25 180.21 1g9l h SER 56 N 0.55 0.55 -0.65 0.00 0.02 -1.87 -0.34 113.55 111.82 1g9l h SER 56 Ca 0.58 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1g9l h SER 56 Cb 1.21 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1g9l h SER 56 CO -0.34 0.48 0.41 0.24 -1.14 0.00 0.00 176.83 176.48 1g9l h MET 57 N 0.59 0.87 -0.42 3.45 2.07 -1.11 -1.23 114.93 119.14 1g9l h MET 57 Ca 0.16 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 57.74 1g9l h MET 57 Cb 0.04 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.55 1g9l h MET 57 CO -0.03 0.60 0.24 -0.07 1.07 0.00 0.00 176.91 178.73 1g9l h LEU 58 N 0.88 0.39 0.00 1.22 -0.00 -0.79 -0.72 115.31 116.30 1g9l h LEU 58 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1g9l h LEU 58 Cb -0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 1g9l h LEU 58 CO -0.05 0.28 0.00 0.00 -0.00 0.00 0.00 178.44 178.68 1g9l n ALA 59 N -2.25 1.76 1.16 1.53 0.00 -0.17 -2.14 120.51 120.40 1g9l n ALA 59 Ca 0.01 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1g9l n ALA 59 Cb 0.06 -1.27 0.65 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.49 0.05 -3.12 0.00 2.88 -0.28 -3.97 113.62 107.69 1g9l n SER 60 Ca 0.04 0.19 -0.21 0.00 -1.33 0.00 0.00 58.87 57.57 1g9l n SER 60 Cb 0.19 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 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 -1.40 2.79 -0.06 -1.46 0.00 -0.91 -4.98 120.51 114.49 1g9l n ALA 61 Ca 0.10 -3.78 -0.07 0.00 0.00 0.00 0.00 53.44 49.68 1g9l n ALA 61 Cb 0.30 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 3.00 -0.16 -0.64 0.00 0.11 -1.72 0.36 132.00 132.94 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 0.83 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1g9l h PRO 62 CO 0.59 -0.11 0.00 -0.35 -0.21 0.00 0.00 178.00 177.93 1g9l n PRO 63 N -5.34 3.44 0.00 1.05 -0.04 -1.26 -4.33 135.00 128.52 1g9l n PRO 63 Ca -0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1g9l n PRO 63 Cb 0.25 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1g9l n PRO 63 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 64 N 0.72 0.00 -1.49 0.54 6.02 -0.75 -4.97 117.38 117.45 1g9l n GLN 64 Ca 0.21 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 1g9l n GLN 64 Cb 0.81 0.00 0.08 0.00 1.02 0.00 0.00 30.24 32.15 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1g9l n GLU 65 N 0.00 2.87 0.05 -1.09 -0.58 -0.95 -4.70 120.64 116.24 1g9l n GLU 65 Ca 0.00 -3.53 -0.12 0.00 -0.42 0.00 0.00 57.16 53.09 1g9l n GLU 65 Cb 0.00 -2.24 -0.07 0.00 -0.57 0.00 0.00 31.44 28.56 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1g9l h GLN 66 N 1.91 -0.03 -0.63 3.49 4.15 -0.46 -3.10 115.11 120.44 1g9l h GLN 66 Ca 0.51 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 59.47 1g9l h GLN 66 Cb 1.23 0.01 -0.36 0.00 0.21 0.00 0.00 27.48 28.57 1g9l h GLN 66 CO 1.22 -0.00 -0.77 1.63 -1.93 0.00 0.00 178.83 178.98 1g9l n LYS 67 N -5.10 3.30 0.05 1.69 5.02 -1.26 -4.67 118.16 117.19 1g9l n LYS 67 Ca -0.07 -4.03 0.00 0.00 -2.02 0.00 0.00 58.31 52.19 1g9l n LYS 67 Cb 0.05 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1g9l n GLN 68 N -0.78 0.00 0.00 1.97 7.27 -1.21 -4.78 117.38 119.86 1g9l n GLN 68 Ca 0.40 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.58 1g9l n GLN 68 Cb 0.93 -0.30 0.62 0.00 2.41 0.00 0.00 30.24 33.89 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g9l n MET 69 N -3.23 0.75 -0.21 3.69 0.00 -1.18 -3.30 117.12 113.64 1g9l n MET 69 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 1g9l n MET 69 Cb 0.12 -1.44 0.02 0.00 0.00 0.00 0.00 33.22 31.92 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 0.92 -2.77 3.17 8.10 -1.83 -3.04 115.31 119.86 1g9l h LEU 70 Ca 0.00 -0.26 -0.08 0.00 0.11 0.00 0.00 57.88 57.65 1g9l h LEU 70 Cb 0.00 -0.24 -0.18 0.00 -0.44 0.00 0.00 40.66 39.79 1g9l h LEU 70 CO 0.00 0.94 -0.70 0.61 -4.11 0.00 0.00 178.44 175.18 1g9l n GLY 71 N -0.56 2.09 0.00 0.17 0.00 -1.23 -4.49 105.19 101.17 1g9l n GLY 71 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.13 0.15 0.00 1.61 0.28 -1.21 -3.85 120.64 117.49 1g9l n GLU 72 Ca 0.08 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1g9l n GLU 72 Cb 0.90 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 33.49 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 -0.02 2.32 0.11 3.44 3.00 -1.17 -4.72 116.66 119.62 1g9l n ARG 73 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1g9l n ARG 73 Cb 0.12 -0.83 0.07 0.00 0.00 0.00 0.00 32.46 31.83 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 -1.00 6.15 3.38 -1.76 -3.34 115.31 118.74 1g9l h LEU 74 Ca 0.00 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1g9l h LEU 74 Cb 0.29 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.88 1g9l h LEU 74 CO 0.00 0.75 -0.41 0.15 0.09 0.00 0.00 178.44 179.02 1g9l h PHE 75 N 0.00 -1.17 0.00 1.13 3.57 -1.87 0.94 116.94 119.55 1g9l h PHE 75 Ca -0.01 0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1g9l h PHE 75 Cb 1.32 0.66 -0.00 0.00 2.79 0.00 0.00 35.95 40.71 1g9l h PHE 75 CO 0.00 -0.40 -0.17 -1.00 -2.23 0.00 0.00 178.31 174.51 1g9l h PRO 76 N -0.00 0.00 0.00 6.41 0.13 -1.92 -1.98 132.00 134.64 1g9l h PRO 76 Ca 0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.44 1g9l h PRO 76 Cb 0.58 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1g9l h PRO 76 CO -0.99 0.17 -0.25 -0.07 -0.23 0.00 0.00 178.00 176.63 1g9l h LEU 77 N 0.00 0.00 -0.60 1.56 3.38 0.48 -3.24 115.31 116.89 1g9l h LEU 77 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1g9l h LEU 77 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1g9l h LEU 77 CO 0.02 0.10 -0.39 0.40 0.09 0.00 0.00 178.44 178.65 1g9l h ILE 78 N 0.00 1.29 0.00 1.22 1.08 0.60 -2.32 117.51 119.38 1g9l h ILE 78 Ca -0.01 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 1g9l h ILE 78 Cb 1.08 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1g9l h ILE 78 CO 0.01 0.50 0.24 0.00 -0.69 0.00 0.00 178.15 178.22 1g9l n GLN 79 N -4.04 0.10 0.10 2.37 6.02 -1.20 0.34 117.38 121.08 1g9l n GLN 79 Ca -0.02 0.58 -0.24 0.00 -0.01 0.00 0.00 57.00 57.31 1g9l n GLN 79 Cb 0.52 -2.06 -0.15 0.00 1.02 0.00 0.00 30.24 29.57 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 1.34 -0.01 -0.10 -1.58 0.00 -1.59 -3.37 119.26 113.95 1g9l h ALA 80 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 54.91 53.83 1g9l h ALA 80 Cb 0.49 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1g9l h ALA 80 CO 0.00 0.83 -0.29 0.52 0.00 0.00 0.00 179.25 180.31 1g9l h MET 81 N 0.08 0.38 -6.40 0.00 2.86 -0.18 -3.45 114.93 108.23 1g9l h MET 81 Ca -0.29 -0.27 -0.67 0.00 -2.06 0.00 0.00 59.70 56.40 1g9l h MET 81 Cb 2.10 0.04 -0.18 0.00 0.06 0.00 0.00 31.60 33.62 1g9l h MET 81 CO 0.22 0.89 -0.73 -1.01 1.06 0.00 0.00 176.91 177.34 1g9l s HIS 82 N -3.85 2.80 0.16 -0.22 4.02 -0.29 -5.01 115.29 112.89 1g9l s HIS 82 Ca -0.14 -0.11 -0.03 0.00 1.02 0.00 0.00 55.06 55.81 1g9l s HIS 82 Cb 0.04 -1.55 0.30 0.00 -1.02 0.00 0.00 32.58 30.36 1g9l s HIS 82 CO 0.78 0.36 0.86 -2.30 1.02 0.00 0.00 174.74 175.45 1g9l n PRO 83 N 1.39 -0.05 0.00 8.40 -0.01 -1.26 -4.20 135.00 139.26 1g9l n PRO 83 Ca -0.15 0.85 0.00 0.00 -0.01 0.00 0.00 63.50 64.19 1g9l n PRO 83 Cb 0.52 -1.29 0.00 0.00 -0.01 0.00 0.00 33.50 32.73 1g9l n PRO 83 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 175.50 173.12 1g9l n THR 84 N -4.83 0.00 1.13 3.45 5.66 -1.26 -4.83 114.28 113.60 1g9l n THR 84 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1g9l n THR 84 Cb 0.31 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1g9l n LEU 85 N 0.00 0.09 -1.80 1.09 4.77 -1.26 -4.20 117.00 115.69 1g9l n LEU 85 Ca 0.00 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 1g9l n LEU 85 Cb 0.00 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1g9l n LEU 85 CO 0.00 0.02 1.13 0.00 -1.33 0.00 0.00 177.39 177.21 1g9l n ALA 86 N -0.40 4.52 0.94 -1.18 0.00 -1.26 -4.05 120.51 119.09 1g9l n ALA 86 Ca 0.00 -0.71 0.13 0.00 0.00 0.00 0.00 53.44 52.85 1g9l n ALA 86 Cb 0.02 -1.68 0.39 0.00 0.00 0.00 0.00 19.45 18.18 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 2.03 -1.38 0.77 0.00 0.00 -1.26 -4.45 105.19 100.90 1g9l n GLY 87 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.60 0.04 0.00 1.61 3.00 -1.26 -5.02 118.16 114.94 1g9l n LYS 88 Ca 0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1g9l n LYS 88 Cb 0.35 0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.83 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 -0.05 0.00 -0.32 3.15 5.41 -1.26 -3.28 119.36 123.01 1g9l n ILE 89 Ca -0.07 0.01 0.13 0.00 1.00 0.00 0.00 62.75 63.82 1g9l n ILE 89 Cb 0.39 -0.03 0.35 0.00 -0.71 0.00 0.00 39.64 39.64 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 0.77 -0.56 1.39 2.02 -1.91 0.56 112.91 115.18 1g9l h THR 90 Ca 0.00 -0.25 0.13 0.00 0.77 0.00 0.00 66.41 67.05 1g9l h THR 90 Cb 0.00 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 1g9l h THR 90 CO 0.00 0.13 0.39 1.23 0.37 0.00 0.00 175.52 177.64 1g9l h GLY 91 N 0.74 0.31 1.66 2.16 0.00 -1.78 0.27 103.07 106.43 1g9l h GLY 91 Ca 0.52 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.69 1g9l h GLY 91 CO -0.29 0.04 -0.62 1.98 0.00 0.00 0.00 176.54 177.65 1g9l h MET 92 N 0.20 0.00 0.00 4.80 -1.53 0.08 -3.18 114.93 115.31 1g9l h MET 92 Ca 0.27 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.53 1g9l h MET 92 Cb 0.77 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.82 1g9l h MET 92 CO -0.05 0.26 0.00 1.28 0.14 0.00 0.00 176.91 178.54 1g9l n LEU 93 N -3.05 0.00 -1.12 3.39 7.99 0.96 0.16 117.00 125.33 1g9l n LEU 93 Ca 0.00 0.31 0.07 0.00 -0.01 0.00 0.00 56.01 56.38 1g9l n LEU 93 Cb 0.67 -0.31 0.28 0.00 -0.11 0.00 0.00 43.42 43.96 1g9l n LEU 93 CO 0.39 -0.28 0.75 0.18 -1.51 0.00 0.00 177.39 176.92 1g9l n LEU 94 N -1.31 4.30 0.00 2.23 7.99 -1.19 -4.05 117.00 124.97 1g9l n LEU 94 Ca 0.01 -3.07 0.00 0.00 -0.01 0.00 0.00 56.01 52.94 1g9l n LEU 94 Cb 0.02 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.75 1g9l n LEU 94 CO 0.02 0.71 0.00 -1.84 -1.51 0.00 0.00 177.39 174.77 1g9l n GLU 95 N -0.37 0.00 0.00 3.23 0.28 0.33 -5.09 120.64 119.02 1g9l n GLU 95 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1g9l n GLU 95 Cb 0.98 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.85 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 0.42 -4.63 119.36 118.99 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 0.26 -0.05 0.00 0.00 -0.00 0.00 0.00 39.64 39.84 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1g9l n ASP 97 Cb 0.00 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.10 0.00 0.14 1.67 3.02 -1.26 -4.65 115.26 113.08 1g9l n ASN 98 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 1g9l n ASN 98 Cb 0.00 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.33 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g9l h SER 99 N 0.00 0.00 1.66 6.41 0.02 -1.98 -2.52 113.55 117.15 1g9l h SER 99 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1g9l h SER 99 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1g9l h SER 99 CO 0.00 0.63 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.82 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.93 -0.94 114.58 120.25 1g9l h GLU 100 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1g9l h GLU 100 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1g9l h GLU 100 CO 0.08 0.17 -0.38 1.25 -1.00 0.00 0.00 179.01 179.13 1g9l h LEU 101 N 0.00 0.00 0.04 1.33 5.85 -1.60 -2.47 115.31 118.46 1g9l h LEU 101 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1g9l h LEU 101 Cb 1.04 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1g9l h LEU 101 CO 0.02 0.38 -1.60 0.18 -0.34 0.00 0.00 178.44 177.08 1g9l n LEU 102 N -3.36 2.16 -0.16 2.25 4.32 -1.00 -3.92 117.00 117.28 1g9l n LEU 102 Ca 0.01 0.34 -0.05 0.00 -0.02 0.00 0.00 56.01 56.29 1g9l n LEU 102 Cb 0.58 -1.01 0.14 0.00 -1.62 0.00 0.00 43.42 41.51 1g9l n LEU 102 CO 0.37 0.50 0.93 -0.74 -1.22 0.00 0.00 177.39 177.24 1g9l h HIS 103 N -0.61 0.94 -0.64 -1.77 2.76 -1.27 -1.63 115.15 112.93 1g9l h HIS 103 Ca -0.40 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 57.66 1g9l h HIS 103 Cb 1.59 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 30.25 1g9l h HIS 103 CO 0.08 0.81 0.37 0.00 -1.30 0.00 0.00 177.93 177.89 1g9l h MET 104 N 0.85 0.86 -0.00 5.26 -0.00 -1.63 0.37 114.93 120.65 1g9l h MET 104 Ca 0.18 -0.08 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 1g9l h MET 104 Cb 0.37 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1g9l h MET 104 CO 0.01 0.62 -0.22 1.28 -0.00 0.00 0.00 176.91 178.59 1g9l n LEU 105 N -4.40 0.66 -0.00 -0.10 4.77 -1.03 -2.45 117.00 114.45 1g9l n LEU 105 Ca 0.06 -0.07 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1g9l n LEU 105 Cb 0.08 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1g9l n LEU 105 CO 0.37 0.13 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.70 1g9l n GLU 106 N -0.96 2.29 -3.98 3.23 -0.58 -0.23 -4.74 120.64 115.67 1g9l n GLU 106 Ca 0.12 -0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.68 1g9l n GLU 106 Cb 0.32 -1.11 -0.14 0.00 -0.57 0.00 0.00 31.44 29.93 1g9l n GLU 106 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1g9l s SER 107 N -2.49 0.27 0.00 1.62 0.01 0.11 -5.02 113.70 108.20 1g9l s SER 107 Ca 0.01 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1g9l s SER 107 Cb 0.08 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1g9l s SER 107 CO 0.46 0.02 0.37 -2.65 0.41 0.00 0.00 173.24 171.85 1g9l n PRO 108 N 3.12 0.71 0.00 12.44 -0.02 -1.26 -2.85 135.00 147.14 1g9l n PRO 108 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1g9l n PRO 108 Cb 0.58 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1g9l n PRO 108 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g9l n GLU 109 N 0.11 1.53 -0.26 -0.52 2.13 -1.26 -4.84 120.64 117.54 1g9l n GLU 109 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1g9l n GLU 109 Cb 0.17 -0.33 0.05 0.00 0.27 0.00 0.00 31.44 31.60 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1g9l h SER 110 N 0.00 0.98 -1.05 4.31 0.02 -1.74 0.47 113.55 116.54 1g9l h SER 110 Ca 0.00 -0.16 0.30 0.00 -0.84 0.00 0.00 61.79 61.09 1g9l h SER 110 Cb 0.00 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 1g9l h SER 110 CO 0.00 0.87 0.88 0.25 -1.14 0.00 0.00 176.83 177.68 1g9l h LEU 111 N 1.02 0.00 0.00 5.07 7.12 -1.63 0.61 115.31 127.51 1g9l h LEU 111 Ca 0.24 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1g9l h LEU 111 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1g9l h LEU 111 CO -0.02 0.00 -0.38 0.54 -0.13 0.00 0.00 178.44 178.45 1g9l n ARG 112 N -3.87 0.23 -0.33 1.25 1.74 0.48 -2.82 116.66 113.34 1g9l n ARG 112 Ca 0.22 0.21 0.36 0.00 -0.77 0.00 0.00 57.85 57.87 1g9l n ARG 112 Cb 1.22 -1.03 0.74 0.00 -1.02 0.00 0.00 32.46 32.37 1g9l n ARG 112 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1g9l h SER 113 N -0.47 0.00 0.19 0.55 0.87 0.04 0.75 113.55 115.48 1g9l h SER 113 Ca 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 1g9l h SER 113 Cb 0.38 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1g9l h SER 113 CO 0.00 0.00 -1.19 0.11 -0.53 0.00 0.00 176.83 175.22 1g9l h LYS 114 N 0.00 0.41 0.77 2.24 1.79 0.04 -2.94 116.57 118.88 1g9l h LYS 114 Ca 0.58 -0.70 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1g9l h LYS 114 Cb 2.41 0.26 0.01 0.00 -1.58 0.00 0.00 32.23 33.32 1g9l h LYS 114 CO -0.01 1.33 -0.37 0.28 -1.08 0.00 0.00 179.45 179.61 1g9l h VAL 115 N -0.12 0.00 -0.97 0.50 2.07 0.43 0.55 116.25 118.70 1g9l h VAL 115 Ca -0.21 -0.24 0.22 0.00 0.82 0.00 0.00 66.70 67.29 1g9l h VAL 115 Cb 1.90 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.55 1g9l h VAL 115 CO 0.20 0.00 0.55 -0.78 0.02 0.00 0.00 177.57 177.57 1g9l h ASP 116 N -1.27 0.64 0.36 0.57 3.58 -0.47 0.52 116.42 120.34 1g9l h ASP 116 Ca -0.11 0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.30 1g9l h ASP 116 Cb 0.79 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1g9l h ASP 116 CO 0.17 0.14 -0.72 -0.33 -2.88 0.00 0.00 179.24 175.62 1g9l h GLU 117 N 0.60 0.31 0.00 0.28 3.07 -1.43 -2.72 114.58 114.68 1g9l h GLU 117 Ca 0.60 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1g9l h GLU 117 Cb 1.08 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1g9l h GLU 117 CO -0.45 0.91 -0.07 0.00 -1.40 0.00 0.00 179.01 177.99 1g9l h ALA 118 N 1.02 1.05 -0.20 3.43 0.00 0.48 -2.10 119.26 122.95 1g9l h ALA 118 Ca -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1g9l h ALA 118 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1g9l h ALA 118 CO 0.12 0.08 -0.07 0.28 0.00 0.00 0.00 179.25 179.66 1g9l h VAL 119 N 0.00 1.30 -0.19 0.00 2.07 -0.28 0.91 116.25 120.06 1g9l h VAL 119 Ca -0.00 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1g9l h VAL 119 Cb 0.46 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1g9l h VAL 119 CO 0.01 0.33 0.05 0.00 0.02 0.00 0.00 177.57 177.98 1g9l h ALA 120 N 0.72 1.73 0.02 1.67 0.00 -1.38 0.27 119.26 122.28 1g9l h ALA 120 Ca 0.05 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1g9l h ALA 120 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1g9l h ALA 120 CO 0.02 0.21 -1.01 0.28 0.00 0.00 0.00 179.25 178.76 1g9l h VAL 121 N 0.27 1.66 -0.06 0.00 2.07 -0.99 -3.02 116.25 116.18 1g9l h VAL 121 Ca 0.07 -3.27 -0.20 0.00 0.82 0.00 0.00 66.70 64.12 1g9l h VAL 121 Cb 0.10 2.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1g9l h VAL 121 CO -0.00 0.94 -0.73 0.25 0.02 0.00 0.00 177.57 178.04 1g9l h LEU 122 N 0.02 0.75 -1.82 2.57 5.85 0.19 -1.65 115.31 121.22 1g9l h LEU 122 Ca -0.03 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 1g9l h LEU 122 Cb 1.75 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 1g9l h LEU 122 CO 0.14 1.33 -0.02 1.56 -0.34 0.00 0.00 178.44 181.11 1g9l h GLN 123 N 0.23 0.08 0.09 1.25 1.08 -0.59 0.19 115.11 117.45 1g9l h GLN 123 Ca -0.07 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1g9l h GLN 123 Cb 1.39 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 1g9l h GLN 123 CO 0.15 0.12 -0.05 0.00 -0.95 0.00 0.00 178.83 178.10 1g9l h ALA 124 N 1.90 -0.13 0.00 3.87 0.00 -1.43 -1.13 119.26 122.34 1g9l h ALA 124 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1g9l h ALA 124 Cb 0.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1g9l h ALA 124 CO 0.00 -0.26 0.00 1.25 0.00 0.00 0.00 179.25 180.25 1g9l h HIS 125 N -0.76 0.00 0.00 0.00 -0.00 -0.86 1.39 115.15 114.92 1g9l h HIS 125 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.19 1g9l h HIS 125 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 1g9l h HIS 125 CO 0.11 0.00 -0.92 1.96 -0.00 0.00 0.00 177.93 179.08 1g9l h GLN 126 N 0.00 0.00 0.04 5.26 1.08 -0.62 -3.43 115.11 117.44 1g9l h GLN 126 Ca 0.00 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.82 1g9l h GLN 126 Cb 0.30 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 1g9l h GLN 126 CO 0.00 0.95 -2.21 0.00 -0.95 0.00 0.00 178.83 176.61 1g9l n ALA 127 N -3.23 1.16 -2.01 3.87 0.00 -0.43 -5.00 120.51 114.87 1g9l n ALA 127 Ca -0.26 -0.88 -0.21 0.00 0.00 0.00 0.00 53.44 52.10 1g9l n ALA 127 Cb 0.61 -0.30 0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.52 2.23 -1.30 0.00 0.00 0.47 -5.01 119.74 113.63 1g9l s LYS 128 Ca -0.31 -1.30 -0.07 0.00 0.00 0.00 0.00 55.97 54.30 1g9l s LYS 128 Cb 0.09 -2.55 0.15 0.00 0.00 0.00 0.00 37.83 35.52 1g9l s LYS 128 CO 0.64 -0.92 2.18 -0.85 0.00 0.00 0.00 175.35 176.40 1g9l n GLU 129 N -2.37 4.30 0.09 1.78 0.28 -1.25 -4.14 120.64 119.32 1g9l n GLU 129 Ca 0.13 -3.54 -0.04 0.00 -0.16 0.00 0.00 57.16 53.54 1g9l n GLU 129 Cb 0.61 -2.72 -0.02 0.00 1.43 0.00 0.00 31.44 30.74 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 4.99 -0.95 -2.20 -1.84 0.00 -1.85 -3.43 119.26 113.98 1g9l h ALA 130 Ca 0.58 -0.05 -0.45 0.00 0.00 0.00 0.00 54.91 54.99 1g9l h ALA 130 Cb 0.42 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1g9l h ALA 130 CO 1.52 -0.94 0.35 0.00 0.00 0.00 0.00 179.25 180.17 1g9l s ALA 131 N -3.74 3.08 1.02 0.00 0.00 -1.26 -5.01 121.76 115.86 1g9l s ALA 131 Ca -0.04 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.25 1g9l s ALA 131 Cb 0.01 -3.17 0.18 0.00 0.00 0.00 0.00 23.12 20.14 1g9l s ALA 131 CO 0.13 0.10 0.99 1.04 0.00 0.00 0.00 175.76 178.02 1g9l n GLN 132 N -0.32 -1.21 -1.59 0.00 6.02 -1.26 -5.08 117.38 113.94 1g9l n GLN 132 Ca 0.06 -1.54 -0.18 0.00 -0.01 0.00 0.00 57.00 55.33 1g9l n GLN 132 Cb 0.53 -1.07 0.12 0.00 1.02 0.00 0.00 30.24 30.83 1g9l n GLN 132 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1g9l n LYS 133 N -3.27 -0.46 -2.52 -1.09 2.85 -1.26 -4.97 118.16 107.44 1g9l n LYS 133 Ca 0.13 -1.61 -0.40 0.00 -1.05 0.00 0.00 58.31 55.37 1g9l n LYS 133 Cb 0.44 -0.74 -0.03 0.00 -0.65 0.00 0.00 35.03 34.05 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g9l s ALA 134 N -3.58 2.66 0.09 0.58 0.00 -1.26 -4.99 121.76 115.25 1g9l s ALA 134 Ca 0.49 -1.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 1g9l s ALA 134 Cb -0.02 -4.46 -0.07 0.00 0.00 0.00 0.00 23.12 18.58 1g9l s ALA 134 CO 0.34 -3.60 0.53 0.14 0.00 0.00 0.00 175.76 173.16 1g9l s VAL 135 N 5.52 4.85 0.00 0.00 -7.23 -1.26 -5.04 120.40 117.24 1g9l s VAL 135 Ca 0.45 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 1g9l s VAL 135 Cb -0.03 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1g9l s VAL 135 CO -0.02 0.44 0.17 0.59 -0.31 0.00 0.00 175.10 175.97 1g9l n ASN 136 N 1.39 0.00 -4.83 4.85 3.02 -1.26 -4.87 115.26 113.56 1g9l n ASN 136 Ca -0.09 0.32 -0.37 0.00 -0.03 0.00 0.00 54.58 54.41 1g9l n ASN 136 Cb 0.51 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1g9l s SER 137 N -1.84 6.96 -1.05 6.41 0.15 -1.26 -4.98 113.70 118.08 1g9l s SER 137 Ca 0.00 1.19 -0.23 0.00 0.70 0.00 0.00 55.95 57.61 1g9l s SER 137 Cb 0.00 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 1g9l s SER 137 CO 0.00 0.18 1.89 0.00 1.20 0.00 0.00 173.24 176.50 1g9l s ALA 138 N -1.31 1.92 -0.01 5.45 0.00 -1.26 -4.49 121.76 122.07 1g9l s ALA 138 Ca 0.34 -1.93 0.03 0.00 0.00 0.00 0.00 51.96 50.41 1g9l s ALA 138 Cb -0.17 -4.61 -0.05 0.00 0.00 0.00 0.00 23.12 18.29 1g9l s ALA 138 CO 0.19 -4.78 0.06 -2.37 0.00 0.00 0.00 175.76 168.86 1g9l n THR 139 N 7.67 0.01 -0.11 0.00 5.66 -1.26 -4.79 114.28 121.45 1g9l n THR 139 Ca 0.42 -0.07 -0.23 0.00 -3.05 0.00 0.00 64.05 61.12 1g9l n THR 139 Cb 0.47 0.33 -0.10 0.00 -1.55 0.00 0.00 70.33 69.48 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1g9l n GLY 140 N 2.37 -0.69 3.73 1.09 0.00 -1.26 -4.93 105.19 105.50 1g9l n GLY 140 Ca -0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1g9l n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g9l s VAL 141 N -2.44 3.47 0.01 1.61 -7.23 -1.26 -4.99 120.40 109.58 1g9l s VAL 141 Ca -0.31 1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.76 1g9l s VAL 141 Cb 0.09 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 1g9l s VAL 141 CO 0.51 0.18 1.20 -2.16 -0.31 0.00 0.00 175.10 174.52 1g9l s PRO 142 N -0.06 4.40 -0.05 4.82 0.04 -1.26 -4.97 135.00 137.92 1g9l s PRO 142 Ca 0.55 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 1g9l s PRO 142 Cb -0.34 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 1g9l s PRO 142 CO 0.36 -0.33 -0.05 1.79 0.04 0.00 0.00 177.00 178.81 1g9l h THR 143 N 4.74 0.00 0.00 1.26 1.35 -1.94 -3.54 112.91 114.78 1g9l h THR 143 Ca -0.39 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1g9l h THR 143 Cb 1.19 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1g9l h THR 143 CO 0.84 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 176.63