#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l n PRO 2 N 0.00 0.00 -0.10 1.61 -0.04 -1.26 -4.61 135.00 130.60 1g9l n PRO 2 Ca 0.00 0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1g9l n PRO 2 Cb 0.00 -0.94 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 1g9l n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1g9l n LEU 3 N -0.68 0.24 -4.58 1.53 4.32 -1.26 -4.88 117.00 111.70 1g9l n LEU 3 Ca 0.00 -0.01 -0.43 0.00 -0.02 0.00 0.00 56.01 55.55 1g9l n LEU 3 Cb 0.00 0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 42.14 1g9l n LEU 3 CO 0.00 0.53 0.73 -0.83 -1.22 0.00 0.00 177.39 176.60 1g9l s GLY 4 N -5.56 1.52 -0.66 -0.72 0.00 -1.26 -4.92 107.32 95.72 1g9l s GLY 4 Ca -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 1g9l s GLY 4 CO 0.81 1.99 1.94 -1.26 0.00 0.00 0.00 173.10 176.58 1g9l n SER 5 N 6.96 7.37 -0.67 1.64 2.88 -1.26 -4.34 113.62 126.20 1g9l n SER 5 Ca 0.06 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 1g9l n SER 5 Cb 0.48 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 -0.83 0.00 -0.09 -1.46 0.00 -1.26 -4.60 120.51 112.27 1g9l n ALA 6 Ca 0.59 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.88 1g9l n ALA 6 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 0.46 0.70 -2.50 0.00 0.00 -1.26 -5.00 120.51 112.91 1g9l n ALA 7 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1g9l n ALA 7 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 8 N -3.62 0.00 -2.57 0.00 0.00 -1.26 -5.13 120.51 107.92 1g9l n ALA 8 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1g9l n ALA 8 Cb 0.54 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.06 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 -3.00 0.24 -3.73 0.00 0.00 -1.26 -5.04 120.51 107.71 1g9l n ALA 9 Ca 0.00 -1.22 -0.36 0.00 0.00 0.00 0.00 53.44 51.85 1g9l n ALA 9 Cb 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.70 3.58 0.07 0.00 2.01 -1.26 -5.08 115.64 113.26 1g9l s THR 10 Ca 0.40 -2.62 -0.31 0.00 0.31 0.00 0.00 61.69 59.48 1g9l s THR 10 Cb -0.02 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1g9l s THR 10 CO 0.26 -0.81 1.44 -2.16 -0.69 0.00 0.00 174.62 172.67 1g9l s PRO 11 N 0.39 4.28 -0.09 4.92 0.04 -1.26 -4.91 135.00 138.37 1g9l s PRO 11 Ca 0.14 2.09 0.19 0.00 0.04 0.00 0.00 61.00 63.45 1g9l s PRO 11 Cb -0.21 -3.42 -0.25 0.00 0.04 0.00 0.00 34.50 30.65 1g9l s PRO 11 CO -0.04 -0.54 0.37 0.00 0.04 0.00 0.00 177.00 176.83 1g9l n ALA 12 N 4.76 2.00 -2.55 8.56 0.00 -1.26 -4.85 120.51 127.17 1g9l n ALA 12 Ca 0.13 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1g9l n ALA 12 Cb 0.42 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 1g9l n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g9l s VAL 13 N -2.90 4.80 -0.14 0.00 0.11 -1.26 -5.05 120.40 115.96 1g9l s VAL 13 Ca -0.08 0.40 -0.08 0.00 -2.93 0.00 0.00 61.98 59.30 1g9l s VAL 13 Cb 0.09 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1g9l s VAL 13 CO 0.85 -0.51 0.13 -0.13 -3.33 0.00 0.00 175.10 172.11 1g9l s ARG 14 N 2.91 3.67 -0.09 1.54 0.52 -1.26 -5.10 118.95 121.13 1g9l s ARG 14 Ca 0.25 -0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 55.29 1g9l s ARG 14 Cb -0.14 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 1g9l s ARG 14 CO 0.18 0.63 -0.04 -0.08 0.02 0.00 0.00 175.30 176.01 1g9l s THR 15 N -0.59 3.93 -0.12 0.02 -1.32 -1.26 -5.11 115.64 111.19 1g9l s THR 15 Ca 0.13 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.24 1g9l s THR 15 Cb -0.12 -2.65 -0.01 0.00 -1.51 0.00 0.00 72.50 68.22 1g9l s THR 15 CO 0.02 0.58 -0.18 0.54 -2.21 0.00 0.00 174.62 173.37 1g9l s VAL 16 N -0.55 2.61 0.88 5.08 0.11 -1.26 -3.63 120.40 123.65 1g9l s VAL 16 Ca 0.09 -0.82 -0.12 0.00 -2.93 0.00 0.00 61.98 58.20 1g9l s VAL 16 Cb -0.12 -2.07 0.17 0.00 -1.53 0.00 0.00 36.38 32.83 1g9l s VAL 16 CO 0.02 0.54 1.23 -2.16 -3.33 0.00 0.00 175.10 171.39 1g9l s PRO 17 N 0.43 1.07 -1.10 1.54 0.05 -1.26 -5.08 135.00 130.65 1g9l s PRO 17 Ca -0.13 -0.48 -0.07 0.00 0.05 0.00 0.00 61.00 60.38 1g9l s PRO 17 Cb -0.17 -1.97 0.29 0.00 0.05 0.00 0.00 34.50 32.71 1g9l s PRO 17 CO 0.06 -2.08 1.28 1.04 0.05 0.00 0.00 177.00 177.35 1g9l n GLN 18 N -3.49 3.97 0.24 4.56 6.02 -1.24 -4.81 117.38 122.63 1g9l n GLN 18 Ca 0.14 -4.50 0.12 0.00 -0.01 0.00 0.00 57.00 52.74 1g9l n GLN 18 Cb 0.60 -2.53 0.58 0.00 1.02 0.00 0.00 30.24 29.91 1g9l n GLN 18 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1g9l h TYR 19 N 6.10 0.00 -2.28 1.08 5.03 -1.98 -3.44 116.97 121.48 1g9l h TYR 19 Ca 0.19 0.00 -0.49 0.00 2.58 0.00 0.00 58.73 61.01 1g9l h TYR 19 Cb 0.76 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.01 1g9l h TYR 19 CO 0.87 0.17 -0.47 0.21 -1.32 0.00 0.00 178.16 177.62 1g9l s LYS 20 N -3.83 3.25 -0.83 1.82 2.20 -1.26 -5.05 119.74 116.04 1g9l s LYS 20 Ca -0.01 -0.83 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 1g9l s LYS 20 Cb 0.11 -2.79 0.11 0.00 -1.51 0.00 0.00 37.83 33.76 1g9l s LYS 20 CO 0.61 0.44 1.05 0.71 -0.36 0.00 0.00 175.35 177.79 1g9l s TYR 21 N -1.98 2.99 -0.04 4.03 2.02 -1.26 -4.88 117.35 118.23 1g9l s TYR 21 Ca 0.33 -1.12 -0.01 0.00 -0.37 0.00 0.00 57.07 55.90 1g9l s TYR 21 Cb -0.09 -4.26 -0.00 0.00 -0.40 0.00 0.00 41.96 37.20 1g9l s TYR 21 CO 0.27 -1.52 0.05 0.00 -1.57 0.00 0.00 175.55 172.79 1g9l h ALA 22 N 9.07 -0.05 -2.52 3.71 0.00 -1.97 -3.45 119.26 124.04 1g9l h ALA 22 Ca -0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1g9l h ALA 22 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1g9l h ALA 22 CO 1.13 -0.05 0.54 0.00 0.00 0.00 0.00 179.25 180.87 1g9l s ALA 23 N -2.86 3.39 -0.40 0.00 0.00 -1.26 -4.93 121.76 115.70 1g9l s ALA 23 Ca -0.00 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 1g9l s ALA 23 Cb 0.00 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.79 1g9l s ALA 23 CO 0.01 -0.39 2.57 0.41 0.00 0.00 0.00 175.76 178.36 1g9l n GLY 24 N 2.94 4.24 3.94 0.00 0.00 -1.26 -4.95 105.19 110.11 1g9l n GLY 24 Ca 0.07 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1g9l n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g9l s VAL 25 N -2.17 2.00 0.00 1.61 -7.23 -1.26 -5.07 120.40 108.29 1g9l s VAL 25 Ca 0.51 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 1g9l s VAL 25 Cb 0.34 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1g9l s VAL 25 CO -0.15 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.18 1g9l n ARG 26 N -3.77 0.00 -3.36 4.82 3.00 -1.26 -4.93 116.66 111.15 1g9l n ARG 26 Ca 0.17 0.20 -0.38 0.00 -0.01 0.00 0.00 57.85 57.83 1g9l n ARG 26 Cb 0.59 -0.66 -0.06 0.00 0.00 0.00 0.00 32.46 32.33 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1g9l s ASN 27 N -3.25 6.66 0.15 0.55 0.01 -1.26 -4.99 114.94 112.81 1g9l s ASN 27 Ca 0.00 0.78 -0.17 0.00 -0.71 0.00 0.00 52.86 52.76 1g9l s ASN 27 Cb 0.00 -2.27 0.05 0.00 0.41 0.00 0.00 41.25 39.44 1g9l s ASN 27 CO 0.00 0.05 1.71 -0.65 -1.51 0.00 0.00 177.10 176.70 1g9l h PRO 28 N 6.51 0.10 -4.09 -0.60 0.11 -2.01 -3.27 132.00 128.75 1g9l h PRO 28 Ca -0.42 -0.01 -0.77 0.00 0.11 0.00 0.00 66.00 64.91 1g9l h PRO 28 Cb 1.18 -0.02 -0.24 0.00 0.11 0.00 0.00 31.00 32.03 1g9l h PRO 28 CO 0.74 0.06 0.77 -0.65 -0.21 0.00 0.00 178.00 178.71 1g9l s GLN 29 N -6.18 4.08 0.00 1.05 -1.52 -1.26 -4.84 119.66 110.99 1g9l s GLN 29 Ca -0.13 -2.85 0.00 0.00 -1.95 0.00 0.00 55.36 50.42 1g9l s GLN 29 Cb 0.12 -4.75 0.00 0.00 -0.22 0.00 0.00 33.01 28.17 1g9l s GLN 29 CO 0.70 -1.46 0.00 0.94 -0.25 0.00 0.00 175.29 175.22 1g9l n GLN 30 N 4.06 0.00 -0.00 2.91 -0.06 -1.24 -4.90 117.38 118.16 1g9l n GLN 30 Ca 0.28 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.28 1g9l n GLN 30 Cb 0.42 -0.16 -0.01 0.00 -4.06 0.00 0.00 30.24 26.43 1g9l n GLN 30 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1g9l n HIS 31 N -0.93 0.00 -2.51 3.69 8.25 -1.26 -5.00 115.22 117.46 1g9l n HIS 31 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1g9l n HIS 31 Cb 0.00 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1g9l s LEU 32 N -2.29 4.24 -0.06 2.41 1.02 -1.26 -5.03 118.68 117.71 1g9l s LEU 32 Ca 0.00 1.71 -0.07 0.00 0.02 0.00 0.00 54.13 55.79 1g9l s LEU 32 Cb 0.01 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.62 1g9l s LEU 32 CO 0.05 -0.60 0.21 0.54 0.02 0.00 0.00 176.35 176.56 1g9l s ASN 33 N 1.49 6.46 1.01 2.29 4.22 -1.26 -4.91 114.94 124.25 1g9l s ASN 33 Ca 0.53 0.53 -0.07 0.00 -2.14 0.00 0.00 52.86 51.72 1g9l s ASN 33 Cb -0.22 -2.09 0.09 0.00 1.28 0.00 0.00 41.25 40.32 1g9l s ASN 33 CO 0.18 0.34 0.52 0.00 -2.04 0.00 0.00 177.10 176.10 1g9l n ALA 34 N 1.60 -0.72 -2.62 3.54 0.00 -1.26 -5.02 120.51 116.04 1g9l n ALA 34 Ca -0.16 -0.68 -0.43 0.00 0.00 0.00 0.00 53.44 52.16 1g9l n ALA 34 Cb 0.54 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1g9l n ALA 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1g9l s GLN 35 N -4.13 3.09 0.14 0.00 0.74 -1.26 -5.04 119.66 113.19 1g9l s GLN 35 Ca 0.30 -0.87 -0.31 0.00 0.05 0.00 0.00 55.36 54.53 1g9l s GLN 35 Cb -0.01 -4.03 -0.10 0.00 1.10 0.00 0.00 33.01 29.98 1g9l s GLN 35 CO 0.21 -0.99 1.62 -1.25 -0.55 0.00 0.00 175.29 174.34 1g9l s PRO 36 N 2.23 4.20 0.09 1.67 0.04 -1.26 -5.02 135.00 136.95 1g9l s PRO 36 Ca 0.12 2.38 0.01 0.00 0.04 0.00 0.00 61.00 63.56 1g9l s PRO 36 Cb -0.19 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.06 1g9l s PRO 36 CO 0.12 -0.67 0.13 0.94 0.04 0.00 0.00 177.00 177.56 1g9l n GLN 37 N 4.58 0.92 0.10 4.56 7.27 -1.26 -5.00 117.38 128.55 1g9l n GLN 37 Ca 0.15 -0.50 0.13 0.00 0.07 0.00 0.00 57.00 56.85 1g9l n GLN 37 Cb 0.39 -0.04 0.44 0.00 2.41 0.00 0.00 30.24 33.44 1g9l n GLN 37 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1g9l n VAL 38 N -1.22 0.61 -1.63 1.69 0.31 -1.26 -4.09 118.33 112.74 1g9l n VAL 38 Ca 0.03 -0.13 -0.39 0.00 -0.01 0.00 0.00 64.34 63.83 1g9l n VAL 38 Cb 0.10 -0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 32.28 1g9l n VAL 38 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1g9l n THR 39 N -2.18 4.74 -1.87 2.52 -1.04 -1.26 -4.92 114.28 110.28 1g9l n THR 39 Ca 0.05 -3.38 0.00 0.00 -2.04 0.00 0.00 64.05 58.67 1g9l n THR 39 Cb 0.37 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 1g9l n THR 39 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1g9l n MET 40 N 2.75 0.44 -2.29 -2.82 2.81 -1.26 -5.02 117.12 111.73 1g9l n MET 40 Ca 0.71 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 56.18 1g9l n MET 40 Cb 0.24 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.72 1g9l n MET 40 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1g9l s GLN 41 N -2.54 4.33 -0.20 0.03 -0.44 -1.26 -5.01 119.66 114.57 1g9l s GLN 41 Ca 0.00 1.89 -0.11 0.00 -2.50 0.00 0.00 55.36 54.64 1g9l s GLN 41 Cb 0.00 -3.48 0.06 0.00 -1.64 0.00 0.00 33.01 27.96 1g9l s GLN 41 CO 0.00 -0.47 0.48 1.14 0.50 0.00 0.00 175.29 176.94 1g9l s GLN 42 N 1.91 0.48 0.40 1.67 -2.07 -1.26 -3.64 119.66 117.15 1g9l s GLN 42 Ca 0.62 0.89 -0.25 0.00 -1.82 0.00 0.00 55.36 54.79 1g9l s GLN 42 Cb -0.31 0.03 -0.08 0.00 -1.09 0.00 0.00 33.01 31.56 1g9l s GLN 42 CO 0.27 -0.15 1.19 -2.14 -1.32 0.00 0.00 175.29 173.14 1g9l s PRO 43 N 1.38 4.03 0.74 9.60 0.02 -1.26 -5.17 135.00 144.34 1g9l s PRO 43 Ca -0.09 1.89 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 1g9l s PRO 43 Cb -0.07 -2.68 0.08 0.00 0.02 0.00 0.00 34.50 31.85 1g9l s PRO 43 CO -0.14 -0.35 1.05 0.00 -0.33 0.00 0.00 177.00 177.23 1g9l s ALA 44 N -1.39 3.09 -2.54 -1.55 0.00 -1.24 -5.00 121.76 113.13 1g9l s ALA 44 Ca 0.57 -1.01 0.22 0.00 0.00 0.00 0.00 51.96 51.74 1g9l s ALA 44 Cb -0.32 -2.58 0.29 0.00 0.00 0.00 0.00 23.12 20.51 1g9l s ALA 44 CO 0.40 -1.45 1.29 1.33 0.00 0.00 0.00 175.76 177.33 1g9l n VAL 45 N -3.02 0.26 -3.63 0.00 0.24 -1.26 -4.77 118.33 106.15 1g9l n VAL 45 Ca 0.09 -0.63 -0.39 0.00 -2.04 0.00 0.00 64.34 61.37 1g9l n VAL 45 Cb 0.60 1.21 -0.08 0.00 -1.47 0.00 0.00 33.84 34.10 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 -1.63 3.49 0.00 6.34 3.76 -1.26 -4.94 115.29 121.05 1g9l s HIS 46 Ca 0.31 -2.47 0.00 0.00 -0.15 0.00 0.00 55.06 52.75 1g9l s HIS 46 Cb 0.20 -3.35 0.00 0.00 1.11 0.00 0.00 32.58 30.54 1g9l s HIS 46 CO 0.29 -0.89 0.00 1.33 -0.85 0.00 0.00 174.74 174.61 1g9l n VAL 47 N 3.81 0.00 0.06 -0.90 0.24 -1.26 -5.00 118.33 115.27 1g9l n VAL 47 Ca 0.06 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.34 1g9l n VAL 47 Cb 0.40 -0.76 0.22 0.00 -1.47 0.00 0.00 33.84 32.23 1g9l n VAL 47 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1g9l h GLN 48 N 0.00 0.35 -5.80 7.34 -0.00 -2.02 -3.43 115.11 111.56 1g9l h GLN 48 Ca 0.00 -0.15 -0.67 0.00 -0.00 0.00 0.00 58.65 57.83 1g9l h GLN 48 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.37 1g9l h GLN 48 CO 0.00 0.65 -0.54 0.20 0.00 0.00 0.00 178.83 179.14 1g9l s GLY 49 N -4.11 2.04 -0.04 2.39 0.00 -1.26 -5.10 107.32 101.23 1g9l s GLY 49 Ca -0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 1g9l s GLY 49 CO 0.78 -0.49 0.26 -0.86 0.00 0.00 0.00 173.10 172.79 1g9l s GLN 50 N -1.08 3.61 0.46 2.90 -2.07 -1.26 -4.97 119.66 117.25 1g9l s GLN 50 Ca 0.16 0.03 -0.24 0.00 -1.82 0.00 0.00 55.36 53.49 1g9l s GLN 50 Cb -0.12 -3.16 -0.07 0.00 -1.09 0.00 0.00 33.01 28.57 1g9l s GLN 50 CO 0.05 0.71 1.25 -1.21 -1.32 0.00 0.00 175.29 174.77 1g9l s GLU 51 N -1.31 3.72 0.00 9.60 2.02 -1.26 -5.03 118.70 126.44 1g9l s GLU 51 Ca 0.22 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.21 1g9l s GLU 51 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1g9l s GLU 51 CO 0.11 -0.65 0.00 -0.35 0.02 0.00 0.00 175.26 174.39 1g9l n PRO 52 N -0.35 -0.65 -3.67 0.39 -0.04 -1.26 -5.05 135.00 124.37 1g9l n PRO 52 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 1g9l n PRO 52 Cb 0.46 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 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 4.24 0.00 1.53 0.20 -1.26 -4.92 118.68 118.47 1g9l s LEU 53 Ca 0.00 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.32 1g9l s LEU 53 Cb 0.00 -3.25 0.00 0.00 -0.43 0.00 0.00 46.19 42.51 1g9l s LEU 53 CO 0.00 0.00 0.00 0.35 -0.29 0.00 0.00 176.35 176.41 1g9l n THR 54 N -0.27 0.00 -0.14 3.68 -2.24 -1.26 -4.85 114.28 109.19 1g9l n THR 54 Ca -0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 1g9l n THR 54 Cb 0.53 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.23 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g9l h ALA 55 N 2.00 1.98 0.12 6.98 0.00 -1.51 -0.77 119.26 128.06 1g9l h ALA 55 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1g9l h ALA 55 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1g9l h ALA 55 CO 0.00 -0.14 -0.06 0.77 0.00 0.00 0.00 179.25 179.82 1g9l h SER 56 N 0.49 -0.13 -0.86 0.00 0.02 -1.86 -0.77 113.55 110.42 1g9l h SER 56 Ca 0.32 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1g9l h SER 56 Cb 0.61 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1g9l h SER 56 CO -0.10 0.14 0.57 0.24 -1.14 0.00 0.00 176.83 176.53 1g9l h MET 57 N -0.41 0.99 -0.44 3.45 2.07 -1.72 -1.68 114.93 117.19 1g9l h MET 57 Ca -0.02 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.53 1g9l h MET 57 Cb 0.33 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 1g9l h MET 57 CO 0.03 0.66 0.18 -0.07 1.07 0.00 0.00 176.91 178.78 1g9l h LEU 58 N 1.02 0.60 -1.71 1.22 3.38 -0.99 -1.80 115.31 117.03 1g9l h LEU 58 Ca 0.36 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1g9l h LEU 58 Cb 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1g9l h LEU 58 CO -0.12 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1g9l h ALA 59 N 1.03 1.00 0.00 1.53 0.00 -0.20 -0.29 119.26 122.33 1g9l h ALA 59 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1g9l h ALA 59 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1g9l h ALA 59 CO -0.01 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.69 1g9l n SER 60 N -2.45 0.00 -3.12 0.00 2.88 -0.68 -3.56 113.62 106.69 1g9l n SER 60 Ca -0.01 0.04 -0.22 0.00 -1.33 0.00 0.00 58.87 57.35 1g9l n SER 60 Cb 0.06 -0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 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 -1.30 2.96 0.12 -1.46 0.00 -0.12 -4.97 120.51 115.74 1g9l n ALA 61 Ca 0.09 -3.87 -0.13 0.00 0.00 0.00 0.00 53.44 49.53 1g9l n ALA 61 Cb 0.16 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 3.11 -0.30 0.00 0.00 0.11 -1.74 -2.31 132.00 130.87 1g9l h PRO 62 Ca 0.11 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1g9l h PRO 62 Cb 0.80 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1g9l h PRO 62 CO 0.61 -0.20 -0.70 -0.35 -0.21 0.00 0.00 178.00 177.15 1g9l n PRO 63 N -5.26 0.25 0.00 1.05 -0.04 -1.26 -4.61 135.00 125.13 1g9l n PRO 63 Ca -0.08 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1g9l n PRO 63 Cb 0.18 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.99 0.00 0.00 0.54 1.13 -1.19 -5.02 117.38 110.84 1g9l n GLN 64 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1g9l n GLN 64 Cb 0.42 -0.31 0.00 0.00 0.11 0.00 0.00 30.24 30.46 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1g9l n GLU 65 N -0.72 0.00 0.00 -1.09 -0.58 -0.91 -4.90 120.64 112.43 1g9l n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1g9l n GLU 65 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1g9l n GLU 65 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1g9l n GLN 66 N 0.00 0.00 -0.05 3.49 6.02 -0.93 -4.26 117.38 121.65 1g9l n GLN 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1g9l n GLN 66 Cb 0.00 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 28.76 1g9l n GLN 66 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1g9l n LYS 67 N -1.60 0.47 0.03 -1.09 5.02 -1.26 -4.87 118.16 114.87 1g9l n LYS 67 Ca 0.00 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1g9l n LYS 67 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 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 -0.10 0.00 0.00 1.97 7.27 -1.26 -4.73 117.38 120.53 1g9l n GLN 68 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 1g9l n GLN 68 Cb 0.48 -0.49 0.03 0.00 2.41 0.00 0.00 30.24 32.67 1g9l n GLN 68 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1g9l n MET 69 N -3.32 0.01 -0.02 3.69 2.81 -1.26 -1.31 117.12 117.72 1g9l n MET 69 Ca 0.00 0.38 -0.12 0.00 -1.81 0.00 0.00 57.70 56.15 1g9l n MET 69 Cb 0.17 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.11 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 1g9l h LEU 70 N 0.00 0.14 -3.01 4.03 -0.00 -1.89 -2.02 115.31 112.55 1g9l h LEU 70 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1g9l h LEU 70 Cb 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1g9l h LEU 70 CO 0.00 0.34 0.00 0.61 -0.00 0.00 0.00 178.44 179.39 1g9l n GLY 71 N -0.48 3.71 0.00 0.17 0.00 -1.01 -4.27 105.19 103.31 1g9l n GLY 71 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.68 -0.22 0.00 1.61 1.02 -0.42 -3.95 120.64 117.99 1g9l n GLU 72 Ca 0.09 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1g9l n GLU 72 Cb 0.47 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 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 -0.05 1.47 -0.09 3.49 3.00 -0.77 -4.74 116.66 118.97 1g9l n ARG 73 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 1g9l n ARG 73 Cb 0.14 -0.84 0.38 0.00 0.00 0.00 0.00 32.46 32.14 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 0.59 -0.63 6.15 -0.00 -1.72 -3.31 115.31 116.38 1g9l h LEU 74 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.93 1g9l h LEU 74 Cb 0.68 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 41.13 1g9l h LEU 74 CO 0.00 0.41 -0.37 0.33 -0.00 0.00 0.00 178.44 178.81 1g9l n PHE 75 N -4.46 -0.28 0.28 1.13 7.35 -1.26 0.13 117.46 120.35 1g9l n PHE 75 Ca 0.06 0.79 0.15 0.00 -0.76 0.00 0.00 57.45 57.70 1g9l n PHE 75 Cb 0.12 -0.53 0.74 0.00 0.35 0.00 0.00 39.48 40.16 1g9l n PHE 75 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1g9l h PRO 76 N 0.00 0.00 0.00 -7.13 0.13 -1.94 -2.61 132.00 120.45 1g9l h PRO 76 Ca 0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.09 1g9l h PRO 76 Cb 0.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 1g9l h PRO 76 CO -0.59 0.00 -2.02 1.28 -0.23 0.00 0.00 178.00 176.43 1g9l n LEU 77 N -2.59 0.13 -0.01 1.56 4.77 0.35 -4.27 117.00 116.95 1g9l n LEU 77 Ca -0.01 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1g9l n LEU 77 Cb 0.13 0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1g9l n LEU 77 CO 0.17 0.17 0.61 0.40 -1.33 0.00 0.00 177.39 177.42 1g9l h ILE 78 N 0.00 1.30 0.00 -0.08 1.08 0.61 -2.31 117.51 118.10 1g9l h ILE 78 Ca -0.20 -1.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 1g9l h ILE 78 Cb 1.48 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.75 1g9l h ILE 78 CO 0.01 0.48 0.29 1.56 -0.69 0.00 0.00 178.15 179.81 1g9l h GLN 79 N 0.47 0.00 0.18 2.37 4.20 -1.73 0.44 115.11 121.04 1g9l h GLN 79 Ca 0.04 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.42 1g9l h GLN 79 Cb 0.87 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.66 1g9l h GLN 79 CO 0.07 0.00 -1.65 0.00 -0.67 0.00 0.00 178.83 176.58 1g9l h ALA 80 N 1.33 0.13 -0.19 3.87 0.00 -1.65 -3.16 119.26 119.60 1g9l h ALA 80 Ca 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 54.91 53.73 1g9l h ALA 80 Cb 0.58 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1g9l h ALA 80 CO 0.00 1.00 -0.22 0.52 0.00 0.00 0.00 179.25 180.55 1g9l h MET 81 N 0.10 0.48 -6.45 0.00 2.86 -0.24 -3.45 114.93 108.24 1g9l h MET 81 Ca -0.30 -0.27 -0.63 0.00 -2.06 0.00 0.00 59.70 56.44 1g9l h MET 81 Cb 2.09 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 33.62 1g9l h MET 81 CO 0.19 0.85 -0.74 -1.01 1.06 0.00 0.00 176.91 177.26 1g9l s HIS 82 N -4.25 2.55 -0.73 -0.22 4.02 -0.35 -5.02 115.29 111.29 1g9l s HIS 82 Ca -0.13 -0.26 -0.27 0.00 1.02 0.00 0.00 55.06 55.42 1g9l s HIS 82 Cb 0.06 -1.24 -0.24 0.00 -1.02 0.00 0.00 32.58 30.14 1g9l s HIS 82 CO 0.78 0.53 1.90 -2.30 1.02 0.00 0.00 174.74 176.67 1g9l n PRO 83 N -0.01 0.53 -4.09 8.40 -0.02 -1.26 -3.88 135.00 134.67 1g9l n PRO 83 Ca -0.11 -1.65 -0.30 0.00 -2.02 0.00 0.00 63.50 59.42 1g9l n PRO 83 Cb 0.56 -3.33 -0.03 0.00 -0.02 0.00 0.00 33.50 30.68 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 7.81 -2.08 -0.21 3.45 -2.24 -1.19 -4.84 114.28 114.97 1g9l n THR 84 Ca 0.45 -0.29 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1g9l n THR 84 Cb 0.44 -2.15 0.26 0.00 -2.10 0.00 0.00 70.33 66.78 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 -4.42 3.57 -0.55 3.22 4.32 -1.25 -4.54 117.00 117.36 1g9l n LEU 85 Ca -0.15 -1.91 0.00 0.00 -0.02 0.00 0.00 56.01 53.93 1g9l n LEU 85 Cb 0.61 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1g9l n LEU 85 CO 0.80 0.87 0.16 0.00 -1.22 0.00 0.00 177.39 178.00 1g9l n ALA 86 N 1.30 1.87 -0.13 -1.18 0.00 -1.26 -4.09 120.51 117.03 1g9l n ALA 86 Ca 0.20 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.92 1g9l n ALA 86 Cb 0.56 -1.00 0.69 0.00 0.00 0.00 0.00 19.45 19.70 1g9l n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1g9l h GLY 87 N 3.26 0.00 -3.86 0.00 0.00 -1.97 -3.27 103.07 97.24 1g9l h GLY 87 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1g9l h GLY 87 CO 0.00 0.00 -0.10 1.17 0.00 0.00 0.00 176.54 177.61 1g9l n LYS 88 N -3.81 0.55 0.00 4.80 4.81 -1.26 -5.01 118.16 118.25 1g9l n LYS 88 Ca 0.17 -0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 1g9l n LYS 88 Cb 1.04 0.17 0.00 0.00 0.02 0.00 0.00 35.03 36.25 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 -0.63 0.00 -0.22 3.15 5.41 -1.23 -3.02 119.36 122.82 1g9l n ILE 89 Ca -0.08 0.01 0.13 0.00 1.00 0.00 0.00 62.75 63.81 1g9l n ILE 89 Cb 0.66 -0.01 0.43 0.00 -0.71 0.00 0.00 39.64 40.00 1g9l n ILE 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g9l h THR 90 N 0.00 0.84 -0.31 1.39 1.03 -1.89 0.81 112.91 114.77 1g9l h THR 90 Ca 0.00 -0.20 0.09 0.00 -0.01 0.00 0.00 66.41 66.29 1g9l h THR 90 Cb 0.00 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.27 1g9l h THR 90 CO 0.00 0.11 0.22 1.23 -0.01 0.00 0.00 175.52 177.07 1g9l h GLY 91 N 0.59 0.03 1.51 2.99 0.00 -1.76 0.28 103.07 106.70 1g9l h GLY 91 Ca 0.40 -0.01 -0.22 0.00 0.00 0.00 0.00 47.33 47.51 1g9l h GLY 91 CO -0.16 0.01 -0.88 1.98 0.00 0.00 0.00 176.54 177.48 1g9l h MET 92 N 0.02 0.45 0.00 4.80 -1.53 0.68 -3.15 114.93 116.20 1g9l h MET 92 Ca 0.15 -0.45 0.00 0.00 -3.44 0.00 0.00 59.70 55.96 1g9l h MET 92 Cb 0.56 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.73 1g9l h MET 92 CO -0.01 1.10 0.00 1.28 0.14 0.00 0.00 176.91 179.42 1g9l n LEU 93 N -3.79 0.00 -1.32 3.39 7.99 0.97 0.91 117.00 125.15 1g9l n LEU 93 Ca -0.06 0.18 -0.03 0.00 -0.01 0.00 0.00 56.01 56.09 1g9l n LEU 93 Cb 0.80 -0.18 0.23 0.00 -0.11 0.00 0.00 43.42 44.16 1g9l n LEU 93 CO 0.51 -0.18 0.81 0.18 -1.51 0.00 0.00 177.39 177.20 1g9l n LEU 94 N -1.18 4.63 0.00 2.23 4.32 -1.16 -3.90 117.00 121.94 1g9l n LEU 94 Ca 0.00 -3.46 0.00 0.00 -0.02 0.00 0.00 56.01 52.53 1g9l n LEU 94 Cb 0.00 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 1g9l n LEU 94 CO 0.00 1.00 0.00 -1.84 -1.22 0.00 0.00 177.39 175.33 1g9l n GLU 95 N -0.82 0.00 0.00 3.23 0.28 0.26 -5.10 120.64 118.49 1g9l n GLU 95 Ca 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1g9l n GLU 95 Cb 1.12 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.99 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 0.21 -4.64 119.36 118.76 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 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 39.77 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 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1g9l n ASP 97 Cb 0.00 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.13 0.00 -0.02 1.67 4.13 -1.26 -4.66 115.26 113.99 1g9l n ASN 98 Ca 0.00 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.20 1g9l n ASN 98 Cb 0.00 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.37 1g9l n ASN 98 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1g9l h SER 99 N 0.00 0.62 -0.30 6.41 4.64 -1.98 -2.67 113.55 120.27 1g9l h SER 99 Ca 0.00 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 1g9l h SER 99 Cb 0.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1g9l h SER 99 CO 0.00 0.90 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.40 1g9l h GLU 100 N 0.51 0.62 -0.10 4.77 5.08 -1.93 -0.20 114.58 123.33 1g9l h GLU 100 Ca 0.06 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1g9l h GLU 100 Cb 0.80 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1g9l h GLU 100 CO 0.07 0.84 0.28 1.25 -1.00 0.00 0.00 179.01 180.45 1g9l h LEU 101 N 0.37 0.00 0.04 1.33 6.46 -1.62 0.11 115.31 122.00 1g9l h LEU 101 Ca 0.07 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.49 1g9l h LEU 101 Cb 0.65 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1g9l h LEU 101 CO 0.04 0.00 -1.89 0.18 -0.62 0.00 0.00 178.44 176.16 1g9l n LEU 102 N -3.19 2.30 0.15 2.25 4.32 -0.84 -4.11 117.00 117.88 1g9l n LEU 102 Ca -0.00 0.26 -0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1g9l n LEU 102 Cb 0.37 -0.99 0.24 0.00 -1.62 0.00 0.00 43.42 41.42 1g9l n LEU 102 CO 0.19 0.62 0.59 -0.74 -1.22 0.00 0.00 177.39 176.83 1g9l h HIS 103 N -0.49 0.03 -0.31 -1.77 2.76 -0.07 -1.80 115.15 113.50 1g9l h HIS 103 Ca -0.46 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 57.63 1g9l h HIS 103 Cb 1.69 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.63 1g9l h HIS 103 CO 0.05 0.53 -0.09 0.00 -1.30 0.00 0.00 177.93 177.12 1g9l h MET 104 N 0.02 0.51 0.00 5.26 -0.00 -1.02 0.47 114.93 120.16 1g9l h MET 104 Ca -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1g9l h MET 104 Cb 0.91 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 1g9l h MET 104 CO 0.07 0.61 -0.43 1.28 -0.00 0.00 0.00 176.91 178.43 1g9l n LEU 105 N -4.22 0.52 -0.36 -0.10 4.77 -1.11 -2.34 117.00 114.15 1g9l n LEU 105 Ca 0.01 0.20 0.08 0.00 -0.03 0.00 0.00 56.01 56.27 1g9l n LEU 105 Cb 0.30 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1g9l n LEU 105 CO 0.40 0.02 0.26 -0.62 -1.33 0.00 0.00 177.39 176.12 1g9l n GLU 106 N -1.78 1.67 -3.73 3.23 -0.58 -0.60 -4.76 120.64 114.09 1g9l n GLU 106 Ca 0.05 -0.80 -0.12 0.00 -0.42 0.00 0.00 57.16 55.87 1g9l n GLU 106 Cb 0.38 -1.28 -0.12 0.00 -0.57 0.00 0.00 31.44 29.86 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 -1.90 -0.37 0.00 1.62 0.15 0.15 -5.01 113.70 108.34 1g9l s SER 107 Ca 0.13 0.69 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1g9l s SER 107 Cb 0.13 0.61 0.15 0.00 -1.71 0.00 0.00 66.02 65.20 1g9l s SER 107 CO 0.41 -0.16 0.84 -0.81 1.20 0.00 0.00 173.24 174.72 1g9l n PRO 108 N 3.83 0.73 0.00 5.44 -0.04 -1.26 -2.86 135.00 140.83 1g9l n PRO 108 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1g9l n PRO 108 Cb 0.55 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.55 4.02 0.14 0.54 1.02 -1.26 -4.71 120.64 119.84 1g9l n GLU 109 Ca 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1g9l n GLU 109 Cb 0.01 -0.65 -0.08 0.00 -0.02 0.00 0.00 31.44 30.69 1g9l n GLU 109 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1g9l h SER 110 N 0.00 -0.30 -1.11 1.62 0.87 -1.75 0.30 113.55 113.18 1g9l h SER 110 Ca 0.00 -0.14 0.31 0.00 -1.23 0.00 0.00 61.79 60.73 1g9l h SER 110 Cb 0.02 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 61.96 1g9l h SER 110 CO 0.00 -0.02 0.73 0.25 -0.53 0.00 0.00 176.83 177.26 1g9l h LEU 111 N -0.58 0.34 0.00 2.23 6.46 -1.71 0.04 115.31 122.09 1g9l h LEU 111 Ca -0.04 0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.68 1g9l h LEU 111 Cb 0.42 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1g9l h LEU 111 CO 0.06 0.03 -0.74 -0.09 -0.62 0.00 0.00 178.44 177.08 1g9l h ARG 112 N 0.28 0.00 -0.36 1.25 2.43 -1.81 -2.87 114.38 113.30 1g9l h ARG 112 Ca 0.63 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.87 1g9l h ARG 112 Cb 1.81 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.29 1g9l h ARG 112 CO -0.27 0.79 -0.10 0.77 -1.51 0.00 0.00 179.97 179.65 1g9l h SER 113 N -1.00 -0.36 1.41 -3.80 0.02 0.28 -1.45 113.55 108.66 1g9l h SER 113 Ca -0.19 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1g9l h SER 113 Cb 1.02 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1g9l h SER 113 CO -0.11 -0.13 -0.60 0.07 -1.14 0.00 0.00 176.83 174.92 1g9l h LYS 114 N -0.01 0.00 0.13 3.45 2.10 -1.21 -3.03 116.57 118.00 1g9l h LYS 114 Ca 0.17 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 1g9l h LYS 114 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1g9l h LYS 114 CO -0.37 0.55 -0.07 0.28 -2.00 0.00 0.00 179.45 177.84 1g9l h VAL 115 N 0.00 0.86 -0.54 0.07 2.07 -1.16 1.69 116.25 119.23 1g9l h VAL 115 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1g9l h VAL 115 Cb 1.44 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1g9l h VAL 115 CO 0.07 0.00 0.36 -0.78 0.02 0.00 0.00 177.57 177.24 1g9l h ASP 116 N -0.18 0.48 1.09 0.57 3.58 -1.36 0.27 116.42 120.87 1g9l h ASP 116 Ca -0.02 -0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.30 1g9l h ASP 116 Cb 0.14 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1g9l h ASP 116 CO 0.03 0.32 -0.63 -0.33 -2.88 0.00 0.00 179.24 175.75 1g9l h GLU 117 N 0.55 0.00 0.00 0.28 5.08 -1.21 -2.84 114.58 116.44 1g9l h GLU 117 Ca 0.23 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1g9l h GLU 117 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1g9l h GLU 117 CO -0.06 0.63 -0.46 0.00 -1.00 0.00 0.00 179.01 178.11 1g9l h ALA 118 N 1.37 1.01 0.04 3.43 0.00 0.57 -2.92 119.26 122.75 1g9l h ALA 118 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1g9l h ALA 118 Cb 1.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1g9l h ALA 118 CO 0.08 0.58 -0.09 0.28 0.00 0.00 0.00 179.25 180.10 1g9l h VAL 119 N 0.00 0.79 -0.55 0.00 2.07 -0.42 1.13 116.25 119.26 1g9l h VAL 119 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1g9l h VAL 119 Cb 0.96 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1g9l h VAL 119 CO 0.06 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.10 1g9l h ALA 120 N 0.78 2.43 0.02 1.67 0.00 -1.50 0.33 119.26 122.98 1g9l h ALA 120 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1g9l h ALA 120 Cb 0.19 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1g9l h ALA 120 CO -0.06 -0.73 -1.42 0.28 0.00 0.00 0.00 179.25 177.31 1g9l h VAL 121 N 0.00 1.21 -0.33 0.00 2.07 -0.71 -2.83 116.25 115.67 1g9l h VAL 121 Ca 0.26 -2.98 -0.13 0.00 0.82 0.00 0.00 66.70 64.67 1g9l h VAL 121 Cb 1.15 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1g9l h VAL 121 CO -0.00 0.73 -0.30 0.25 0.02 0.00 0.00 177.57 178.26 1g9l h LEU 122 N 0.01 0.84 -0.96 2.57 5.85 0.47 -0.75 115.31 123.34 1g9l h LEU 122 Ca -0.18 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.02 1g9l h LEU 122 Cb 1.92 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1g9l h LEU 122 CO 0.11 1.12 -0.28 1.56 -0.34 0.00 0.00 178.44 180.62 1g9l h GLN 123 N 0.56 0.00 -0.00 1.25 1.08 -0.82 0.21 115.11 117.39 1g9l h GLN 123 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1g9l h GLN 123 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1g9l h GLN 123 CO 0.08 0.28 -0.28 0.00 -0.95 0.00 0.00 178.83 177.95 1g9l n ALA 124 N -2.24 3.11 -0.03 3.87 0.00 -1.07 -4.00 120.51 120.15 1g9l n ALA 124 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 1g9l n ALA 124 Cb 0.47 -1.19 -0.05 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 -1.03 0.00 0.00 0.00 -0.00 -0.31 -3.97 115.22 109.91 1g9l n HIS 125 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1g9l n HIS 125 Cb 0.33 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g9l n GLN 126 N -2.24 0.00 -1.81 1.57 1.13 0.70 -3.11 117.38 113.62 1g9l n GLN 126 Ca -0.11 0.24 -0.34 0.00 -1.94 0.00 0.00 57.00 54.85 1g9l n GLN 126 Cb 0.71 -1.21 -0.02 0.00 0.11 0.00 0.00 30.24 29.83 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 -1.17 6.52 -1.86 -1.58 0.00 -1.26 -4.97 120.51 116.19 1g9l n ALA 127 Ca 0.00 -3.66 -0.43 0.00 0.00 0.00 0.00 53.44 49.35 1g9l n ALA 127 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.14 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 -2.28 3.51 -0.01 0.00 -2.85 -1.18 -4.82 119.74 112.10 1g9l s LYS 128 Ca 0.54 1.85 0.07 0.00 -1.00 0.00 0.00 55.97 57.43 1g9l s LYS 128 Cb 0.32 -4.20 0.24 0.00 -2.06 0.00 0.00 37.83 32.13 1g9l s LYS 128 CO -0.22 -1.65 1.15 -1.91 0.10 0.00 0.00 175.35 172.82 1g9l n GLU 129 N 8.19 1.74 -0.06 1.78 2.13 -1.26 -4.06 120.64 129.09 1g9l n GLU 129 Ca 0.23 -0.96 0.01 0.00 0.66 0.00 0.00 57.16 57.10 1g9l n GLU 129 Cb 0.45 -1.30 0.03 0.00 0.27 0.00 0.00 31.44 30.89 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g9l n ALA 130 N 0.25 2.59 1.14 4.31 0.00 -1.26 -3.99 120.51 123.55 1g9l n ALA 130 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1g9l n ALA 130 Cb 0.28 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 0.01 2.59 -1.14 0.00 0.00 -1.26 -4.89 120.51 115.82 1g9l n ALA 131 Ca 0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1g9l n ALA 131 Cb 0.29 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 18.87 1g9l n ALA 131 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1g9l s GLN 132 N -1.43 1.44 -0.81 0.00 -2.07 -1.26 -4.94 119.66 110.60 1g9l s GLN 132 Ca 0.05 1.00 -0.23 0.00 -1.82 0.00 0.00 55.36 54.36 1g9l s GLN 132 Cb 0.04 -1.82 0.06 0.00 -1.09 0.00 0.00 33.01 30.21 1g9l s GLN 132 CO 0.02 -2.16 1.19 0.15 -1.32 0.00 0.00 175.29 173.17 1g9l s LYS 133 N -4.88 3.32 -0.09 9.60 3.01 -1.26 -4.99 119.74 124.45 1g9l s LYS 133 Ca 0.63 -0.88 -0.30 0.00 -1.01 0.00 0.00 55.97 54.41 1g9l s LYS 133 Cb -0.18 -4.58 -0.03 0.00 -1.01 0.00 0.00 37.83 32.03 1g9l s LYS 133 CO 0.57 -1.99 1.34 0.00 0.51 0.00 0.00 175.35 175.78 1g9l s ALA 134 N 4.52 3.60 0.01 5.17 0.00 -1.26 -5.01 121.76 128.79 1g9l s ALA 134 Ca 0.33 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 1g9l s ALA 134 Cb -0.09 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 1g9l s ALA 134 CO 0.04 -1.06 0.29 0.08 0.00 0.00 0.00 175.76 175.11 1g9l s VAL 135 N 3.05 5.26 -1.30 0.00 1.01 -1.26 -5.02 120.40 122.14 1g9l s VAL 135 Ca 0.60 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 1g9l s VAL 135 Cb -0.26 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1g9l s VAL 135 CO 0.21 0.38 1.76 -0.46 0.00 0.00 0.00 175.10 176.99 1g9l n ASN 136 N 1.17 4.85 -4.96 3.32 0.23 -1.26 -4.97 115.26 113.64 1g9l n ASN 136 Ca -0.11 -2.95 -0.22 0.00 -0.53 0.00 0.00 54.58 50.78 1g9l n ASN 136 Cb 0.53 -1.65 -0.00 0.00 -2.08 0.00 0.00 39.78 36.57 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1g9l s SER 137 N 3.26 6.06 0.43 0.53 1.04 -1.26 -5.00 113.70 118.75 1g9l s SER 137 Ca 0.48 0.15 0.21 0.00 0.48 0.00 0.00 55.95 57.27 1g9l s SER 137 Cb 0.05 -1.61 0.96 0.00 0.10 0.00 0.00 66.02 65.51 1g9l s SER 137 CO 0.02 -0.43 1.87 0.00 0.98 0.00 0.00 173.24 175.68 1g9l h ALA 138 N 0.74 1.16 -3.03 5.32 0.00 -2.08 -3.43 119.26 117.95 1g9l h ALA 138 Ca -0.48 -0.25 -0.66 0.00 0.00 0.00 0.00 54.91 53.52 1g9l h ALA 138 Cb 1.24 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1g9l h ALA 138 CO 0.58 0.34 -0.56 -0.08 0.00 0.00 0.00 179.25 179.53 1g9l s THR 139 N -3.91 4.85 0.00 0.00 -1.32 -1.26 -5.11 115.64 108.90 1g9l s THR 139 Ca -0.01 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1g9l s THR 139 Cb 0.12 -3.15 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 1g9l s THR 139 CO 0.66 0.49 0.00 0.61 -2.21 0.00 0.00 174.62 174.16 1g9l n GLY 140 N 1.63 3.03 3.73 6.08 0.00 -1.26 -5.09 105.19 113.31 1g9l n GLY 140 Ca -0.16 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 3.24 5.38 -0.02 1.61 -7.23 -1.26 -4.99 120.40 117.13 1g9l s VAL 141 Ca 0.00 0.29 -0.01 0.00 -1.81 0.00 0.00 61.98 60.45 1g9l s VAL 141 Cb 0.00 -3.52 -0.05 0.00 0.56 0.00 0.00 36.38 33.38 1g9l s VAL 141 CO 0.00 0.42 2.37 -0.81 -0.31 0.00 0.00 175.10 176.77 1g9l n PRO 142 N 3.55 1.28 -0.50 4.82 -0.04 -1.26 -4.09 135.00 138.76 1g9l n PRO 142 Ca -0.15 -0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.08 1g9l n PRO 142 Cb 0.52 -1.26 0.31 0.00 -0.04 0.00 0.00 33.50 33.03 1g9l n PRO 142 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g9l n THR 143 N 1.65 1.63 1.65 0.52 -2.24 -1.26 -5.37 114.28 110.85 1g9l n THR 143 Ca 0.11 -1.20 0.15 0.00 -2.27 0.00 0.00 64.05 60.84 1g9l n THR 143 Cb 0.60 0.21 0.65 0.00 -2.10 0.00 0.00 70.33 69.68 1g9l n THR 143 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05