#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 0.52 -2.56 1.61 -0.04 -1.26 -5.00 135.00 128.27 1g9l n PRO 2 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1g9l n PRO 2 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1g9l n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g9l s LEU 3 N 0.00 3.65 0.00 1.53 1.02 -1.26 -4.97 118.68 118.66 1g9l s LEU 3 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 54.13 52.24 1g9l s LEU 3 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 46.19 43.64 1g9l s LEU 3 CO 0.00 -1.38 0.00 0.61 0.02 0.00 0.00 176.35 175.60 1g9l n GLY 4 N 6.19 -0.54 2.12 -3.19 0.00 -1.26 -5.09 105.19 103.41 1g9l n GLY 4 Ca 0.41 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.65 0.22 -3.62 1.61 7.64 -1.26 -5.09 113.62 111.47 1g9l n SER 5 Ca 0.00 -1.35 -0.28 0.00 1.01 0.00 0.00 58.87 58.25 1g9l n SER 5 Cb 0.00 -0.51 -0.16 0.00 -1.01 0.00 0.00 64.21 62.53 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l s ALA 6 N -3.75 0.81 0.65 -0.43 0.00 -1.26 -5.14 121.76 112.64 1g9l s ALA 6 Ca 0.40 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1g9l s ALA 6 Cb -0.01 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1g9l s ALA 6 CO 0.28 -1.47 0.98 0.00 0.00 0.00 0.00 175.76 175.54 1g9l s ALA 7 N 1.98 3.16 -0.10 0.00 0.00 -1.26 -5.10 121.76 120.44 1g9l s ALA 7 Ca 0.06 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 1g9l s ALA 7 Cb -0.16 -2.70 0.05 0.00 0.00 0.00 0.00 23.12 20.30 1g9l s ALA 7 CO -0.24 -1.01 0.23 0.00 0.00 0.00 0.00 175.76 174.74 1g9l s ALA 8 N -3.14 -0.50 -0.27 0.00 0.00 -1.26 -5.01 121.76 111.58 1g9l s ALA 8 Ca 0.56 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 1g9l s ALA 8 Cb -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1g9l s ALA 8 CO 0.47 -0.29 0.07 0.00 0.00 0.00 0.00 175.76 176.01 1g9l n ALA 9 N 4.49 -3.16 -3.71 0.00 0.00 -1.26 -5.04 120.51 111.84 1g9l n ALA 9 Ca -0.21 0.47 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 1g9l n ALA 9 Cb 0.52 -1.21 -0.17 0.00 0.00 0.00 0.00 19.45 18.59 1g9l n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1g9l s THR 10 N -1.61 0.61 -0.91 0.00 -1.32 -1.26 -5.07 115.64 106.08 1g9l s THR 10 Ca 0.03 -0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.16 1g9l s THR 10 Cb -0.01 -0.67 -0.13 0.00 -1.51 0.00 0.00 72.50 70.18 1g9l s THR 10 CO 0.65 0.27 2.21 -2.84 -2.21 0.00 0.00 174.62 172.70 1g9l s PRO 11 N 1.39 1.78 0.00 7.08 0.02 -1.26 -4.66 135.00 139.35 1g9l s PRO 11 Ca -0.03 -0.00 0.23 0.00 0.02 0.00 0.00 61.00 61.22 1g9l s PRO 11 Cb -0.13 -4.92 0.19 0.00 0.02 0.00 0.00 34.50 29.66 1g9l s PRO 11 CO -0.03 -4.41 1.24 0.00 -0.33 0.00 0.00 177.00 173.48 1g9l n ALA 12 N 17.56 2.46 -2.74 -1.55 0.00 -1.26 -4.90 120.51 130.07 1g9l n ALA 12 Ca 0.44 -0.69 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1g9l n ALA 12 Cb 0.45 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 1g9l n ALA 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1g9l s VAL 13 N -1.93 5.11 -0.52 0.00 -7.23 -1.26 -5.06 120.40 109.50 1g9l s VAL 13 Ca 0.28 0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.35 1g9l s VAL 13 Cb 0.20 -3.36 0.07 0.00 0.56 0.00 0.00 36.38 33.85 1g9l s VAL 13 CO 0.29 0.37 0.60 -0.13 -0.31 0.00 0.00 175.10 175.92 1g9l s ARG 14 N 0.95 3.07 -0.78 4.82 0.52 -1.26 -5.00 118.95 121.27 1g9l s ARG 14 Ca 0.06 -1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 54.09 1g9l s ARG 14 Cb -0.13 -4.15 0.20 0.00 0.52 0.00 0.00 34.95 31.39 1g9l s ARG 14 CO 0.03 -1.26 0.67 0.95 0.02 0.00 0.00 175.30 175.71 1g9l s THR 15 N 2.43 4.81 -0.04 0.02 -4.23 -1.26 -5.06 115.64 112.31 1g9l s THR 15 Ca 0.12 -2.87 -0.02 0.00 -1.18 0.00 0.00 61.69 57.74 1g9l s THR 15 Cb -0.22 -4.01 -0.04 0.00 1.34 0.00 0.00 72.50 69.58 1g9l s THR 15 CO 0.09 -0.99 0.07 0.68 -0.54 0.00 0.00 174.62 173.94 1g9l s VAL 16 N -0.18 4.75 0.77 2.29 -7.23 -1.26 -3.74 120.40 115.79 1g9l s VAL 16 Ca 0.19 -0.28 -0.11 0.00 -1.81 0.00 0.00 61.98 59.97 1g9l s VAL 16 Cb -0.14 -3.12 0.05 0.00 0.56 0.00 0.00 36.38 33.74 1g9l s VAL 16 CO -0.07 0.45 1.08 -2.84 -0.31 0.00 0.00 175.10 173.41 1g9l s PRO 17 N -1.44 2.32 0.80 4.82 0.02 -1.26 -5.17 135.00 135.08 1g9l s PRO 17 Ca 0.20 0.77 -0.09 0.00 0.02 0.00 0.00 61.00 61.90 1g9l s PRO 17 Cb -0.12 -1.93 0.17 0.00 0.02 0.00 0.00 34.50 32.64 1g9l s PRO 17 CO 0.10 -1.49 1.09 1.04 -0.33 0.00 0.00 177.00 177.41 1g9l n GLN 18 N -3.36 -0.69 -0.84 5.54 6.02 -1.25 -5.07 117.38 117.73 1g9l n GLN 18 Ca 0.07 -2.16 -0.29 0.00 -0.01 0.00 0.00 57.00 54.61 1g9l n GLN 18 Cb 0.55 -0.97 0.24 0.00 1.02 0.00 0.00 30.24 31.07 1g9l n GLN 18 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1g9l s TYR 19 N -3.30 0.99 -1.54 1.08 1.51 -1.26 -4.95 117.35 109.88 1g9l s TYR 19 Ca 0.66 0.82 0.21 0.00 -1.01 0.00 0.00 57.07 57.74 1g9l s TYR 19 Cb -0.03 -3.20 0.69 0.00 -0.11 0.00 0.00 41.96 39.31 1g9l s TYR 19 CO 0.45 -3.82 1.59 0.36 -1.11 0.00 0.00 175.55 173.02 1g9l n LYS 20 N -4.81 3.27 -3.17 -0.62 2.85 -1.26 -4.87 118.16 109.55 1g9l n LYS 20 Ca 0.08 -2.80 -0.43 0.00 -1.05 0.00 0.00 58.31 54.11 1g9l n LYS 20 Cb 0.58 -1.75 -0.07 0.00 -0.65 0.00 0.00 35.03 33.14 1g9l n LYS 20 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1g9l s TYR 21 N -1.44 3.08 0.00 5.58 2.02 -1.26 -4.96 117.35 120.36 1g9l s TYR 21 Ca 0.51 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 1g9l s TYR 21 Cb 0.30 -3.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.55 1g9l s TYR 21 CO 0.29 -0.89 0.00 0.00 -1.57 0.00 0.00 175.55 173.38 1g9l n ALA 22 N 6.10 0.00 -1.58 3.71 0.00 -1.26 -4.42 120.51 123.06 1g9l n ALA 22 Ca -0.04 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1g9l n ALA 22 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 23 N -1.23 6.58 0.84 0.00 0.00 -1.26 -4.36 120.51 121.09 1g9l n ALA 23 Ca 0.00 -3.25 0.10 0.00 0.00 0.00 0.00 53.44 50.29 1g9l n ALA 23 Cb 0.00 -2.37 0.06 0.00 0.00 0.00 0.00 19.45 17.14 1g9l n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 24 N 1.32 0.44 3.35 0.00 0.00 -1.26 -4.86 105.19 104.19 1g9l n GLY 24 Ca 0.53 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.81 4.53 0.88 1.61 -7.23 -1.26 -5.08 120.40 112.04 1g9l s VAL 25 Ca 0.21 -0.99 -0.09 0.00 -1.81 0.00 0.00 61.98 59.30 1g9l s VAL 25 Cb 0.16 -3.59 0.19 0.00 0.56 0.00 0.00 36.38 33.70 1g9l s VAL 25 CO 0.31 -0.31 1.21 -0.60 -0.31 0.00 0.00 175.10 175.39 1g9l s ARG 26 N 1.53 0.87 0.35 4.82 6.06 -1.26 -5.07 118.95 126.24 1g9l s ARG 26 Ca 0.02 -0.88 -0.08 0.00 -2.50 0.00 0.00 55.73 52.29 1g9l s ARG 26 Cb -0.20 -2.06 -0.06 0.00 0.06 0.00 0.00 34.95 32.69 1g9l s ARG 26 CO 0.06 -2.14 0.67 -0.80 -2.50 0.00 0.00 175.30 170.59 1g9l s ASN 27 N -4.90 6.50 0.85 -2.12 0.01 -1.26 -4.49 114.94 109.54 1g9l s ASN 27 Ca 0.73 0.95 -0.11 0.00 -0.71 0.00 0.00 52.86 53.72 1g9l s ASN 27 Cb -0.03 -2.24 0.14 0.00 0.41 0.00 0.00 41.25 39.53 1g9l s ASN 27 CO 0.50 -0.30 1.19 -2.16 -1.51 0.00 0.00 177.10 174.82 1g9l s PRO 28 N -3.68 1.29 0.00 -0.60 0.04 -1.26 -5.19 135.00 125.60 1g9l s PRO 28 Ca 0.48 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1g9l s PRO 28 Cb -0.10 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1g9l s PRO 28 CO 0.30 -1.93 0.00 0.94 0.04 0.00 0.00 177.00 176.36 1g9l n GLN 29 N -3.40 1.20 -1.18 4.56 7.27 -1.26 -5.07 117.38 119.49 1g9l n GLN 29 Ca 0.13 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.91 1g9l n GLN 29 Cb 0.60 0.00 0.16 0.00 2.41 0.00 0.00 30.24 33.41 1g9l n GLN 29 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1g9l s GLN 30 N -0.33 0.73 -0.59 3.69 1.11 -1.26 -5.01 119.66 118.00 1g9l s GLN 30 Ca 0.00 0.62 0.06 0.00 0.01 0.00 0.00 55.36 56.06 1g9l s GLN 30 Cb 0.00 -1.76 0.26 0.00 -1.01 0.00 0.00 33.01 30.50 1g9l s GLN 30 CO 0.00 -2.55 0.74 0.72 0.01 0.00 0.00 175.29 174.20 1g9l n HIS 31 N -4.07 3.02 -1.92 0.91 8.25 -1.26 -5.09 115.22 115.07 1g9l n HIS 31 Ca 0.06 -4.04 -0.31 0.00 -0.26 0.00 0.00 57.72 53.17 1g9l n HIS 31 Cb 0.56 -0.52 0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.40 3.18 -0.41 2.41 1.02 -1.26 -4.96 118.68 116.26 1g9l s LEU 32 Ca 0.40 1.32 -0.02 0.00 0.02 0.00 0.00 54.13 55.86 1g9l s LEU 32 Cb 0.17 -4.31 0.22 0.00 0.02 0.00 0.00 46.19 42.29 1g9l s LEU 32 CO -0.04 -0.96 2.17 0.59 0.02 0.00 0.00 176.35 178.13 1g9l n ASN 33 N -2.78 6.68 0.00 2.29 3.02 -1.26 -4.40 115.26 118.81 1g9l n ASN 33 Ca 0.06 -3.21 0.15 0.00 -0.03 0.00 0.00 54.58 51.54 1g9l n ASN 33 Cb 0.55 -1.08 0.75 0.00 -0.61 0.00 0.00 39.78 39.39 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g9l n ALA 34 N 0.25 2.46 -2.98 5.41 0.00 -1.26 -4.67 120.51 119.72 1g9l n ALA 34 Ca 0.39 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 1g9l n ALA 34 Cb 0.58 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.55 3.39 0.42 0.00 2.00 -1.26 -4.97 119.66 116.69 1g9l s GLN 35 Ca 0.29 -0.67 0.20 0.00 -2.00 0.00 0.00 55.36 53.18 1g9l s GLN 35 Cb 0.20 -3.46 0.93 0.00 0.80 0.00 0.00 33.01 31.48 1g9l s GLN 35 CO 0.45 -0.35 1.86 -1.00 -0.50 0.00 0.00 175.29 175.75 1g9l h PRO 36 N 8.29 0.00 -1.72 1.67 0.13 -1.99 -3.14 132.00 135.24 1g9l h PRO 36 Ca -0.34 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 1g9l h PRO 36 Cb 1.15 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.03 1g9l h PRO 36 CO 0.60 0.29 0.87 0.94 -0.23 0.00 0.00 178.00 180.47 1g9l n GLN 37 N -3.68 2.62 -2.78 0.86 -0.06 -1.26 -4.97 117.38 108.12 1g9l n GLN 37 Ca -0.01 -3.15 -0.42 0.00 -2.00 0.00 0.00 57.00 51.42 1g9l n GLN 37 Cb 0.40 -2.21 -0.03 0.00 -4.06 0.00 0.00 30.24 24.34 1g9l n GLN 37 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1g9l s VAL 38 N -4.38 4.79 -0.90 1.69 0.11 -1.19 -4.99 120.40 115.54 1g9l s VAL 38 Ca 0.55 1.83 -0.01 0.00 -2.93 0.00 0.00 61.98 61.42 1g9l s VAL 38 Cb 0.44 -4.22 0.24 0.00 -1.53 0.00 0.00 36.38 31.30 1g9l s VAL 38 CO -0.26 -0.06 0.87 0.41 -3.33 0.00 0.00 175.10 172.74 1g9l n THR 39 N 4.95 3.26 0.61 5.04 -1.04 -1.26 -4.79 114.28 121.05 1g9l n THR 39 Ca 0.08 -5.23 0.11 0.00 -2.04 0.00 0.00 64.05 56.96 1g9l n THR 39 Cb 0.48 -2.31 -0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1g9l n THR 39 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1g9l n MET 40 N 2.01 0.26 -3.67 -2.82 0.00 -1.26 -4.94 117.12 106.69 1g9l n MET 40 Ca 0.23 -0.02 -0.15 0.00 0.00 0.00 0.00 57.70 57.77 1g9l n MET 40 Cb 0.37 -1.57 -0.08 0.00 0.00 0.00 0.00 33.22 31.94 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 -3.18 0.75 -0.24 3.17 2.00 -1.26 -5.15 119.66 115.75 1g9l s GLN 41 Ca 0.04 0.27 -0.03 0.00 -2.00 0.00 0.00 55.36 53.64 1g9l s GLN 41 Cb 0.15 0.35 0.13 0.00 0.80 0.00 0.00 33.01 34.43 1g9l s GLN 41 CO 0.81 -0.18 0.37 -0.65 -0.50 0.00 0.00 175.29 175.14 1g9l s GLN 42 N -0.69 0.33 -0.91 1.67 -1.52 -1.26 -5.10 119.66 112.18 1g9l s GLN 42 Ca -0.08 0.56 -0.24 0.00 -1.95 0.00 0.00 55.36 53.65 1g9l s GLN 42 Cb -0.03 -0.44 -0.02 0.00 -0.22 0.00 0.00 33.01 32.30 1g9l s GLN 42 CO 0.04 -0.61 1.79 -1.25 -0.25 0.00 0.00 175.29 175.02 1g9l s PRO 43 N 2.54 2.86 -0.07 2.91 0.04 -1.26 -4.96 135.00 137.05 1g9l s PRO 43 Ca 0.11 -0.46 -0.28 0.00 0.04 0.00 0.00 61.00 60.41 1g9l s PRO 43 Cb -0.15 -5.08 -0.02 0.00 0.04 0.00 0.00 34.50 29.29 1g9l s PRO 43 CO -0.15 -2.99 0.94 0.00 0.04 0.00 0.00 177.00 174.84 1g9l s ALA 44 N 8.52 3.33 0.15 8.56 0.00 -1.26 -5.04 121.76 136.02 1g9l s ALA 44 Ca 0.62 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 1g9l s ALA 44 Cb -0.05 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1g9l s ALA 44 CO -0.02 -0.43 0.57 0.54 0.00 0.00 0.00 175.76 176.43 1g9l s VAL 45 N 1.56 4.81 0.00 0.00 0.11 -1.26 -5.05 120.40 120.57 1g9l s VAL 45 Ca 0.47 0.92 0.00 0.00 -2.93 0.00 0.00 61.98 60.44 1g9l s VAL 45 Cb -0.19 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 1g9l s VAL 45 CO 0.21 0.27 0.00 1.41 -3.33 0.00 0.00 175.10 173.66 1g9l n HIS 46 N 0.89 0.00 -3.13 1.54 8.25 -1.26 -4.92 115.22 116.59 1g9l n HIS 46 Ca -0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.05 1g9l n HIS 46 Cb 0.52 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 1g9l n HIS 46 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1g9l s VAL 47 N -0.08 4.61 1.07 1.59 0.11 -1.26 -5.07 120.40 121.38 1g9l s VAL 47 Ca 0.00 1.20 -0.14 0.00 -2.93 0.00 0.00 61.98 60.11 1g9l s VAL 47 Cb 0.00 -3.82 0.23 0.00 -1.53 0.00 0.00 36.38 31.25 1g9l s VAL 47 CO 0.00 0.18 1.09 -1.58 -3.33 0.00 0.00 175.10 171.46 1g9l s GLN 48 N -2.06 -0.16 -1.08 1.54 0.74 -1.26 -4.96 119.66 112.43 1g9l s GLN 48 Ca 0.43 0.39 -0.04 0.00 0.05 0.00 0.00 55.36 56.19 1g9l s GLN 48 Cb -0.16 -1.68 0.31 0.00 1.10 0.00 0.00 33.01 32.58 1g9l s GLN 48 CO 0.20 -3.10 1.49 0.41 -0.55 0.00 0.00 175.29 173.75 1g9l n GLY 49 N -0.86 5.19 3.37 2.59 0.00 -1.26 -4.94 105.19 109.28 1g9l n GLY 49 Ca 0.06 -2.67 -0.46 0.00 0.00 0.00 0.00 46.02 42.96 1g9l n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g9l s GLN 50 N -2.81 3.75 -0.20 1.61 -0.21 -1.26 -4.57 119.66 115.97 1g9l s GLN 50 Ca 0.31 -2.47 -0.19 0.00 0.02 0.00 0.00 55.36 53.04 1g9l s GLN 50 Cb 0.05 -4.60 -0.20 0.00 1.00 0.00 0.00 33.01 29.26 1g9l s GLN 50 CO 0.11 -1.42 0.18 0.39 -2.12 0.00 0.00 175.29 172.44 1g9l n GLU 51 N 4.40 0.60 -1.23 2.91 -0.58 -1.26 -4.98 120.64 120.49 1g9l n GLU 51 Ca 0.20 0.50 -0.09 0.00 -0.42 0.00 0.00 57.16 57.35 1g9l n GLU 51 Cb 0.46 -1.72 0.05 0.00 -0.57 0.00 0.00 31.44 29.66 1g9l n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1g9l n PRO 52 N -4.27 0.17 -2.23 3.49 -0.04 -1.26 -5.12 135.00 125.74 1g9l n PRO 52 Ca -0.34 -0.99 -0.38 0.00 -0.04 0.00 0.00 63.50 61.75 1g9l n PRO 52 Cb 0.75 -0.31 -0.01 0.00 -0.04 0.00 0.00 33.50 33.90 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 4.10 0.00 1.53 0.20 -1.26 -4.90 118.68 118.35 1g9l s LEU 53 Ca 0.26 2.38 0.00 0.00 0.69 0.00 0.00 54.13 57.46 1g9l s LEU 53 Cb -0.01 -4.12 0.00 0.00 -0.43 0.00 0.00 46.19 41.63 1g9l s LEU 53 CO 0.17 -0.84 0.00 0.35 -0.29 0.00 0.00 176.35 175.75 1g9l n THR 54 N -0.21 0.00 -0.34 3.68 -2.24 -1.26 -4.88 114.28 109.03 1g9l n THR 54 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1g9l n THR 54 Cb 0.47 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.16 -0.44 6.98 0.00 -1.67 -1.58 119.26 125.71 1g9l h ALA 55 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1g9l h ALA 55 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1g9l h ALA 55 CO 0.00 0.60 0.24 0.77 0.00 0.00 0.00 179.25 180.86 1g9l h SER 56 N 1.24 0.37 -0.68 0.00 0.02 -1.88 -0.60 113.55 112.03 1g9l h SER 56 Ca 0.33 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1g9l h SER 56 Cb -0.08 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1g9l h SER 56 CO -0.06 0.26 0.44 0.24 -1.14 0.00 0.00 176.83 176.57 1g9l h MET 57 N 0.48 0.86 -0.30 3.45 2.07 -1.79 -1.99 114.93 117.71 1g9l h MET 57 Ca 0.18 -0.05 0.05 0.00 -2.07 0.00 0.00 59.70 57.81 1g9l h MET 57 Cb 0.06 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.55 1g9l h MET 57 CO -0.11 0.57 0.04 -0.07 1.07 0.00 0.00 176.91 178.41 1g9l h LEU 58 N 0.89 -0.04 0.00 1.22 4.07 -0.55 0.03 115.31 120.92 1g9l h LEU 58 Ca 0.26 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1g9l h LEU 58 Cb -0.06 0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1g9l h LEU 58 CO -0.08 0.01 0.00 0.00 -1.08 0.00 0.00 178.44 177.30 1g9l n ALA 59 N -2.40 1.57 1.12 1.53 0.00 -0.30 -1.90 120.51 120.13 1g9l n ALA 59 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1g9l n ALA 59 Cb 0.14 -1.20 0.49 0.00 0.00 0.00 0.00 19.45 18.89 1g9l n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g9l n SER 60 N -1.48 0.31 -2.95 0.00 7.64 -0.01 -4.14 113.62 113.00 1g9l n SER 60 Ca 0.03 -0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.65 1g9l n SER 60 Cb 0.14 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l n ALA 61 N -1.33 3.07 -2.70 -0.43 0.00 -0.80 -5.05 120.51 113.28 1g9l n ALA 61 Ca 0.09 -3.61 -0.37 0.00 0.00 0.00 0.00 53.44 49.55 1g9l n ALA 61 Cb 0.32 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1g9l s PRO 62 N -2.88 4.18 -0.25 0.00 0.04 -1.26 -0.09 135.00 134.75 1g9l s PRO 62 Ca 0.39 0.00 0.12 0.00 0.04 0.00 0.00 61.00 61.55 1g9l s PRO 62 Cb 0.37 -3.48 0.76 0.00 0.04 0.00 0.00 34.50 32.19 1g9l s PRO 62 CO -0.07 0.13 1.70 -0.35 0.04 0.00 0.00 177.00 178.45 1g9l n PRO 63 N 3.99 4.38 0.00 0.56 -0.04 -1.26 -5.00 135.00 137.63 1g9l n PRO 63 Ca -0.12 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.39 1g9l n PRO 63 Cb 0.52 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 0.39 0.00 -0.76 0.54 7.27 0.87 -3.88 117.38 121.81 1g9l n GLN 64 Ca 0.30 0.12 0.06 0.00 0.07 0.00 0.00 57.00 57.55 1g9l n GLN 64 Cb 1.20 -0.76 0.34 0.00 2.41 0.00 0.00 30.24 33.44 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 -0.38 4.05 0.02 3.69 -0.58 0.50 -4.54 120.64 123.41 1g9l n GLU 65 Ca 0.00 -3.05 0.11 0.00 -0.42 0.00 0.00 57.16 53.80 1g9l n GLU 65 Cb 0.00 -2.11 0.56 0.00 -0.57 0.00 0.00 31.44 29.32 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 3.05 0.25 0.00 3.49 4.15 -1.26 -2.67 115.11 122.13 1g9l h GLN 66 Ca 0.03 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1g9l h GLN 66 Cb 1.83 -0.06 -0.21 0.00 0.21 0.00 0.00 27.48 29.25 1g9l h GLN 66 CO 0.42 0.17 -0.78 1.63 -1.93 0.00 0.00 178.83 178.34 1g9l n LYS 67 N -4.47 0.63 0.00 1.69 5.02 -1.26 -4.84 118.16 114.94 1g9l n LYS 67 Ca 0.06 -2.46 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 1g9l n LYS 67 Cb 0.31 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g9l n GLN 68 N -0.19 0.00 -0.03 1.97 6.02 -1.06 -4.79 117.38 119.31 1g9l n GLN 68 Ca 0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.10 1g9l n GLN 68 Cb 0.94 -0.41 0.02 0.00 1.02 0.00 0.00 30.24 31.81 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n MET 69 N -2.69 1.13 0.12 -1.09 0.00 -1.03 -3.52 117.12 110.05 1g9l n MET 69 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 57.70 57.31 1g9l n MET 69 Cb 0.32 -1.22 -0.16 0.00 0.00 0.00 0.00 33.22 32.16 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 0.22 0.77 -3.97 3.17 -0.00 -1.87 -3.23 115.31 110.41 1g9l h LEU 70 Ca 0.00 -0.93 -0.28 0.00 -0.00 0.00 0.00 57.88 56.68 1g9l h LEU 70 Cb 0.25 -0.25 -0.33 0.00 -0.00 0.00 0.00 40.66 40.33 1g9l h LEU 70 CO 0.01 1.72 -0.89 0.61 -0.00 0.00 0.00 178.44 179.89 1g9l n GLY 71 N 1.76 3.75 0.00 0.17 0.00 -1.24 -4.47 105.19 105.15 1g9l n GLY 71 Ca -0.19 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.53 0.51 0.00 1.61 0.28 -1.23 -3.90 120.64 117.38 1g9l n GLU 72 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1g9l n GLU 72 Cb 0.90 -0.04 0.00 0.00 1.43 0.00 0.00 31.44 33.73 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1g9l n ARG 73 N 0.00 3.25 0.06 3.44 0.00 -1.24 -4.68 116.66 117.49 1g9l n ARG 73 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1g9l n ARG 73 Cb 0.00 -0.59 0.49 0.00 0.00 0.00 0.00 32.46 32.36 1g9l n ARG 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1g9l n LEU 74 N -0.83 0.40 -0.11 6.15 4.77 -1.22 -4.04 117.00 122.12 1g9l n LEU 74 Ca 0.00 0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1g9l n LEU 74 Cb 0.00 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1g9l n LEU 74 CO 0.00 -0.16 0.63 0.15 -1.33 0.00 0.00 177.39 176.68 1g9l h PHE 75 N 0.00 -0.97 0.00 -1.77 3.57 -1.90 0.37 116.94 116.24 1g9l h PHE 75 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1g9l h PHE 75 Cb 0.56 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1g9l h PHE 75 CO 0.00 -0.40 0.00 -0.35 -2.23 0.00 0.00 178.31 175.33 1g9l n PRO 76 N -5.42 0.05 -0.07 6.41 -0.04 -1.26 -1.91 135.00 132.76 1g9l n PRO 76 Ca 0.01 0.30 -0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1g9l n PRO 76 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1g9l n PRO 76 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1g9l n LEU 77 N -1.40 0.13 -0.13 1.53 7.99 0.11 -4.40 117.00 120.82 1g9l n LEU 77 Ca 0.03 0.06 -0.13 0.00 -0.01 0.00 0.00 56.01 55.96 1g9l n LEU 77 Cb 0.07 0.37 -0.02 0.00 -0.11 0.00 0.00 43.42 43.74 1g9l n LEU 77 CO 0.06 0.39 0.60 0.40 -1.51 0.00 0.00 177.39 177.33 1g9l h ILE 78 N 0.00 1.27 0.00 -0.08 1.08 -0.27 -2.52 117.51 116.99 1g9l h ILE 78 Ca -0.42 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.58 1g9l h ILE 78 Cb 1.99 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 1g9l h ILE 78 CO 0.03 0.50 0.40 1.56 -0.69 0.00 0.00 178.15 179.95 1g9l h GLN 79 N 0.77 0.00 0.23 2.37 4.20 -1.75 0.45 115.11 121.37 1g9l h GLN 79 Ca 0.08 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.44 1g9l h GLN 79 Cb 0.89 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.70 1g9l h GLN 79 CO 0.08 0.00 -1.61 0.00 -0.67 0.00 0.00 178.83 176.64 1g9l h ALA 80 N 1.12 -0.03 -0.11 3.87 0.00 -1.69 -3.23 119.26 119.19 1g9l h ALA 80 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 54.91 53.81 1g9l h ALA 80 Cb 0.81 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1g9l h ALA 80 CO 0.00 0.83 -0.40 0.52 0.00 0.00 0.00 179.25 180.21 1g9l h MET 81 N 0.13 0.47 -6.41 0.00 2.86 -0.20 -3.46 114.93 108.32 1g9l h MET 81 Ca -0.30 -0.35 -0.62 0.00 -2.06 0.00 0.00 59.70 56.37 1g9l h MET 81 Cb 2.15 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 33.73 1g9l h MET 81 CO 0.24 0.98 -0.73 -1.01 1.06 0.00 0.00 176.91 177.45 1g9l s HIS 82 N -3.78 2.56 -0.77 -0.22 4.02 -0.41 -5.02 115.29 111.67 1g9l s HIS 82 Ca -0.13 -0.25 -0.27 0.00 1.02 0.00 0.00 55.06 55.43 1g9l s HIS 82 Cb 0.05 -1.22 -0.24 0.00 -1.02 0.00 0.00 32.58 30.15 1g9l s HIS 82 CO 0.81 0.55 1.92 -2.30 1.02 0.00 0.00 174.74 176.73 1g9l n PRO 83 N -0.13 0.50 -3.12 8.40 -0.02 -1.26 -3.81 135.00 135.56 1g9l n PRO 83 Ca -0.10 -1.67 -0.18 0.00 -2.02 0.00 0.00 63.50 59.53 1g9l n PRO 83 Cb 0.56 -3.41 -0.01 0.00 -0.02 0.00 0.00 33.50 30.63 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 7.97 -0.60 1.32 3.45 -2.24 -1.22 -4.78 114.28 118.18 1g9l n THR 84 Ca 0.44 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.30 1g9l n THR 84 Cb 0.45 -1.27 0.31 0.00 -2.10 0.00 0.00 70.33 67.71 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g9l n LEU 85 N -3.31 1.31 0.00 3.22 4.77 -1.25 -4.81 117.00 116.93 1g9l n LEU 85 Ca -0.02 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1g9l n LEU 85 Cb 0.54 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1g9l n LEU 85 CO 0.38 0.29 0.00 0.00 -1.33 0.00 0.00 177.39 176.74 1g9l n ALA 86 N 0.13 0.00 0.00 -1.18 0.00 -1.26 -4.59 120.51 113.61 1g9l n ALA 86 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1g9l n ALA 86 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 2.40 2.90 0.00 0.00 0.00 -1.26 -4.30 105.19 104.93 1g9l n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.85 0.00 1.61 4.81 -1.26 -4.93 118.16 117.24 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1g9l n LYS 88 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 34.97 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 -0.08 0.00 -0.34 3.15 5.41 -1.26 0.15 119.36 126.39 1g9l n ILE 89 Ca 0.00 0.93 0.09 0.00 1.00 0.00 0.00 62.75 64.77 1g9l n ILE 89 Cb 0.00 -1.67 0.28 0.00 -0.71 0.00 0.00 39.64 37.54 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 0.89 -0.07 1.39 2.02 -1.91 0.72 112.91 115.95 1g9l h THR 90 Ca 0.00 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1g9l h THR 90 Cb 0.00 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.30 1g9l h THR 90 CO 0.00 0.17 0.06 1.23 0.37 0.00 0.00 175.52 177.35 1g9l h GLY 91 N 0.91 0.00 1.46 2.16 0.00 -1.64 0.95 103.07 106.92 1g9l h GLY 91 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.58 1g9l h GLY 91 CO -0.26 0.00 -1.01 1.98 0.00 0.00 0.00 176.54 177.26 1g9l h MET 92 N 0.00 0.48 0.00 4.80 -1.53 0.76 -3.16 114.93 116.28 1g9l h MET 92 Ca 0.04 -0.54 0.00 0.00 -3.44 0.00 0.00 59.70 55.76 1g9l h MET 92 Cb 0.16 0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 1g9l h MET 92 CO -0.00 1.18 0.05 1.28 0.14 0.00 0.00 176.91 179.56 1g9l n LEU 93 N -3.76 0.00 -1.42 3.39 7.99 0.32 0.12 117.00 123.64 1g9l n LEU 93 Ca -0.08 0.27 -0.06 0.00 -0.01 0.00 0.00 56.01 56.12 1g9l n LEU 93 Cb 0.87 -0.27 0.22 0.00 -0.11 0.00 0.00 43.42 44.13 1g9l n LEU 93 CO 0.53 -0.27 0.85 0.18 -1.51 0.00 0.00 177.39 177.17 1g9l n LEU 94 N -1.24 4.82 0.00 2.23 7.99 -1.19 -4.03 117.00 125.59 1g9l n LEU 94 Ca 0.00 -3.57 0.00 0.00 -0.01 0.00 0.00 56.01 52.43 1g9l n LEU 94 Cb 0.05 -0.67 0.00 0.00 -0.11 0.00 0.00 43.42 42.68 1g9l n LEU 94 CO 0.00 1.08 0.00 -1.84 -1.51 0.00 0.00 177.39 175.12 1g9l n GLU 95 N -0.94 0.00 0.00 3.23 0.28 0.32 -5.10 120.64 118.43 1g9l n GLU 95 Ca 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 1g9l n GLU 95 Cb 1.18 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.05 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 -4.66 119.36 118.69 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 0.14 -0.10 0.00 0.00 -0.00 0.00 0.00 39.64 39.68 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 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1g9l n ASP 97 Cb 0.00 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1g9l n ASP 97 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1g9l n ASN 98 N -1.14 0.00 0.23 1.67 6.94 -1.26 -4.64 115.26 117.07 1g9l n ASN 98 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 54.58 54.65 1g9l n ASN 98 Cb 0.01 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 37.99 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1g9l h SER 99 N 0.00 0.00 1.26 0.53 0.02 -1.98 -0.64 113.55 112.74 1g9l h SER 99 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1g9l h SER 99 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 99 CO 0.00 0.21 -0.77 -0.33 -1.14 0.00 0.00 176.83 174.80 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.93 -1.01 114.58 120.18 1g9l h GLU 100 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1g9l h GLU 100 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1g9l h GLU 100 CO 0.03 0.38 -0.54 1.25 -1.00 0.00 0.00 179.01 179.13 1g9l h LEU 101 N 0.00 0.00 0.05 1.33 7.12 -1.42 -1.99 115.31 120.40 1g9l h LEU 101 Ca -0.05 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.74 1g9l h LEU 101 Cb 1.40 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.51 1g9l h LEU 101 CO 0.05 0.54 -1.16 -0.07 -0.13 0.00 0.00 178.44 177.67 1g9l h LEU 102 N 0.00 0.18 -0.72 2.25 4.07 -1.13 -3.32 115.31 116.65 1g9l h LEU 102 Ca -0.01 -0.75 -0.10 0.00 0.08 0.00 0.00 57.88 57.10 1g9l h LEU 102 Cb 1.16 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 1g9l h LEU 102 CO 0.07 1.49 -0.14 -0.74 -1.08 0.00 0.00 178.44 178.03 1g9l h HIS 103 N -0.65 0.93 -0.66 1.13 2.76 -1.27 -1.72 115.15 115.67 1g9l h HIS 103 Ca -0.28 -0.19 0.03 0.00 -2.20 0.00 0.00 60.37 57.74 1g9l h HIS 103 Cb 1.49 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 30.18 1g9l h HIS 103 CO 0.14 0.92 0.44 0.00 -1.30 0.00 0.00 177.93 178.12 1g9l h MET 104 N 0.75 0.76 -0.00 5.26 -0.00 -1.53 0.68 114.93 120.85 1g9l h MET 104 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 1g9l h MET 104 Cb 0.65 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 1g9l h MET 104 CO 0.05 0.51 -0.34 1.28 -0.00 0.00 0.00 176.91 178.40 1g9l n LEU 105 N -4.46 0.35 -0.21 -0.10 4.77 -1.09 -3.17 117.00 113.09 1g9l n LEU 105 Ca 0.08 0.15 0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1g9l n LEU 105 Cb 0.13 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1g9l n LEU 105 CO 0.35 0.09 0.15 -0.62 -1.33 0.00 0.00 177.39 176.03 1g9l n GLU 106 N -1.49 2.08 -3.72 3.23 -0.58 0.26 -4.85 120.64 115.57 1g9l n GLU 106 Ca 0.06 -0.50 -0.12 0.00 -0.42 0.00 0.00 57.16 56.19 1g9l n GLU 106 Cb 0.34 -1.18 -0.12 0.00 -0.57 0.00 0.00 31.44 29.90 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 -1.89 -0.37 0.00 1.62 0.15 0.21 -5.02 113.70 108.40 1g9l s SER 107 Ca 0.09 0.68 0.14 0.00 0.70 0.00 0.00 55.95 57.56 1g9l s SER 107 Cb 0.11 0.57 0.80 0.00 -1.71 0.00 0.00 66.02 65.79 1g9l s SER 107 CO 0.42 -0.18 1.25 -2.65 1.20 0.00 0.00 173.24 173.28 1g9l n PRO 108 N 4.20 0.41 0.00 5.44 -0.02 -1.26 -1.91 135.00 141.85 1g9l n PRO 108 Ca -0.24 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1g9l n PRO 108 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g9l n GLU 109 N -1.03 4.03 -0.04 -0.52 1.02 -1.26 -4.60 120.64 118.24 1g9l n GLU 109 Ca 0.10 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1g9l n GLU 109 Cb 0.05 -0.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.39 -0.35 1.62 0.02 -1.62 0.66 113.55 114.27 1g9l h SER 110 Ca 0.00 -0.58 0.10 0.00 -0.84 0.00 0.00 61.79 60.47 1g9l h SER 110 Cb 0.00 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1g9l h SER 110 CO 0.00 0.90 0.27 0.25 -1.14 0.00 0.00 176.83 177.11 1g9l h LEU 111 N -0.11 0.00 0.00 5.07 6.46 -1.66 0.54 115.31 125.62 1g9l h LEU 111 Ca -0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.60 1g9l h LEU 111 Cb 0.85 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1g9l h LEU 111 CO 0.05 0.00 -0.94 -0.09 -0.62 0.00 0.00 178.44 176.84 1g9l h ARG 112 N 0.00 0.00 -0.39 1.25 2.43 -1.81 -2.80 114.38 113.06 1g9l h ARG 112 Ca 0.17 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1g9l h ARG 112 Cb 0.70 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1g9l h ARG 112 CO -0.00 0.84 0.02 0.77 -1.51 0.00 0.00 179.97 180.09 1g9l h SER 113 N -1.00 0.56 1.00 -3.80 0.02 -0.62 -0.12 113.55 109.59 1g9l h SER 113 Ca -0.24 -0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 60.41 1g9l h SER 113 Cb 1.12 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 1g9l h SER 113 CO -0.15 0.62 -0.90 0.11 -1.14 0.00 0.00 176.83 175.37 1g9l h LYS 114 N 0.57 0.00 0.08 3.45 1.79 -0.09 -2.53 116.57 119.84 1g9l h LYS 114 Ca 0.12 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1g9l h LYS 114 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1g9l h LYS 114 CO 0.01 0.90 -0.04 0.28 -1.08 0.00 0.00 179.45 179.52 1g9l h VAL 115 N 0.00 1.19 -0.84 0.50 2.07 -1.15 0.35 116.25 118.37 1g9l h VAL 115 Ca -0.01 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.51 1g9l h VAL 115 Cb 1.64 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.22 1g9l h VAL 115 CO 0.12 0.26 0.55 -0.78 0.02 0.00 0.00 177.57 177.73 1g9l h ASP 116 N -0.59 0.82 -0.07 0.57 3.58 -1.12 0.15 116.42 119.76 1g9l h ASP 116 Ca -0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 1g9l h ASP 116 Cb 0.50 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 1g9l h ASP 116 CO 0.02 0.53 -0.58 -0.08 -2.88 0.00 0.00 179.24 176.25 1g9l h GLU 117 N 0.94 0.67 0.00 0.28 4.81 -1.40 -2.69 114.58 117.18 1g9l h GLU 117 Ca 0.36 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1g9l h GLU 117 Cb 0.20 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1g9l h GLU 117 CO -0.13 1.06 -0.10 0.00 -0.73 0.00 0.00 179.01 179.11 1g9l h ALA 118 N 0.85 1.53 -0.20 2.92 0.00 0.17 -1.66 119.26 122.86 1g9l h ALA 118 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1g9l h ALA 118 Cb 1.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1g9l h ALA 118 CO 0.12 0.13 0.10 0.28 0.00 0.00 0.00 179.25 179.87 1g9l h VAL 119 N 0.00 1.13 -0.05 0.00 2.07 -0.46 1.05 116.25 119.98 1g9l h VAL 119 Ca -0.00 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1g9l h VAL 119 Cb 0.22 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1g9l h VAL 119 CO 0.01 0.12 0.08 0.00 0.02 0.00 0.00 177.57 177.80 1g9l h ALA 120 N 0.97 1.51 0.09 1.67 0.00 -1.27 0.25 119.26 122.49 1g9l h ALA 120 Ca 0.07 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 1g9l h ALA 120 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1g9l h ALA 120 CO -0.01 -0.10 -1.69 0.28 0.00 0.00 0.00 179.25 177.73 1g9l h VAL 121 N 0.00 0.95 -0.53 0.00 2.07 -0.75 -2.54 116.25 115.45 1g9l h VAL 121 Ca 0.03 -2.66 -0.10 0.00 0.82 0.00 0.00 66.70 64.79 1g9l h VAL 121 Cb 0.18 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1g9l h VAL 121 CO -0.00 0.76 -0.05 0.25 0.02 0.00 0.00 177.57 178.55 1g9l h LEU 122 N 0.05 0.92 -0.84 2.57 5.85 0.28 0.88 115.31 125.04 1g9l h LEU 122 Ca -0.30 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.04 1g9l h LEU 122 Cb 2.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.78 1g9l h LEU 122 CO 0.12 1.01 -0.55 1.56 -0.34 0.00 0.00 178.44 180.25 1g9l h GLN 123 N 0.85 0.00 -0.39 1.25 1.08 -0.70 0.36 115.11 117.56 1g9l h GLN 123 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1g9l h GLN 123 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1g9l h GLN 123 CO 0.03 0.55 0.00 0.00 -0.95 0.00 0.00 178.83 178.46 1g9l n ALA 124 N -2.40 2.49 0.00 3.87 0.00 -0.65 -3.86 120.51 119.96 1g9l n ALA 124 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1g9l n ALA 124 Cb 0.58 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1g9l n ALA 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g9l n HIS 125 N 0.54 0.00 0.00 0.00 -0.00 0.21 -4.75 115.22 111.22 1g9l n HIS 125 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1g9l n HIS 125 Cb 0.33 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.20 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 -0.22 0.00 -0.28 1.57 1.13 0.12 -4.59 117.38 115.11 1g9l n GLN 126 Ca 0.00 0.03 0.04 0.00 -1.94 0.00 0.00 57.00 55.13 1g9l n GLN 126 Cb 0.00 -0.34 0.16 0.00 0.11 0.00 0.00 30.24 30.17 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 -1.08 2.80 -1.23 -1.58 0.00 -1.25 -4.74 120.51 113.43 1g9l n ALA 127 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1g9l n ALA 127 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1g9l n ALA 127 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1g9l n LYS 128 N 0.35 1.79 -0.42 0.00 -0.00 -1.25 -4.91 118.16 113.73 1g9l n LYS 128 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.37 1g9l n LYS 128 Cb 0.48 0.00 0.09 0.00 -0.00 0.00 0.00 35.03 35.60 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1g9l n GLU 129 N 0.00 1.75 0.26 -1.58 1.02 -1.26 -4.35 120.64 116.47 1g9l n GLU 129 Ca 0.00 -1.12 0.10 0.00 -0.02 0.00 0.00 57.16 56.12 1g9l n GLU 129 Cb 0.00 -1.53 0.68 0.00 -0.02 0.00 0.00 31.44 30.57 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g9l h ALA 130 N 1.96 1.75 -2.29 0.62 0.00 -1.85 -3.43 119.26 116.01 1g9l h ALA 130 Ca 0.17 -0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.57 1g9l h ALA 130 Cb 1.50 -0.01 0.17 0.00 0.00 0.00 0.00 17.79 19.46 1g9l h ALA 130 CO 0.34 0.07 0.15 0.00 0.00 0.00 0.00 179.25 179.81 1g9l s ALA 131 N -4.79 0.68 -0.05 0.00 0.00 -1.26 -5.01 121.76 111.33 1g9l s ALA 131 Ca -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 1g9l s ALA 131 Cb 0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1g9l s ALA 131 CO 0.64 -3.03 0.29 1.96 0.00 0.00 0.00 175.76 175.62 1g9l h GLN 132 N -2.04 -0.21 -6.76 0.00 4.20 -1.99 -3.45 115.11 104.86 1g9l h GLN 132 Ca -0.55 0.01 -0.49 0.00 0.06 0.00 0.00 58.65 57.68 1g9l h GLN 132 Cb 1.32 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 1g9l h GLN 132 CO 0.54 -0.14 0.33 -1.59 -0.67 0.00 0.00 178.83 177.30 1g9l s LYS 133 N -2.21 4.74 -1.11 1.46 -2.85 -1.26 -4.98 119.74 113.53 1g9l s LYS 133 Ca -0.03 1.40 -0.20 0.00 -1.00 0.00 0.00 55.97 56.14 1g9l s LYS 133 Cb 0.00 -3.13 0.08 0.00 -2.06 0.00 0.00 37.83 32.72 1g9l s LYS 133 CO 0.09 0.45 1.48 0.00 0.10 0.00 0.00 175.35 177.48 1g9l s ALA 134 N -1.31 3.16 0.41 0.59 0.00 -1.26 -4.99 121.76 118.37 1g9l s ALA 134 Ca 0.43 -2.68 -0.05 0.00 0.00 0.00 0.00 51.96 49.66 1g9l s ALA 134 Cb -0.23 -4.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.41 1g9l s ALA 134 CO 0.29 -3.31 0.70 0.08 0.00 0.00 0.00 175.76 173.52 1g9l s VAL 135 N 3.94 4.94 -1.11 0.00 1.01 -1.26 -4.97 120.40 122.96 1g9l s VAL 135 Ca 0.46 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 1g9l s VAL 135 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1g9l s VAL 135 CO -0.03 -0.66 1.89 0.20 0.00 0.00 0.00 175.10 176.49 1g9l s ASN 136 N -3.79 5.34 -0.07 3.32 -0.87 -1.26 -4.94 114.94 112.66 1g9l s ASN 136 Ca 0.46 -1.45 -0.12 0.00 -1.57 0.00 0.00 52.86 50.18 1g9l s ASN 136 Cb -0.10 -2.58 -0.05 0.00 -0.02 0.00 0.00 41.25 38.50 1g9l s ASN 136 CO 0.39 -2.69 0.29 -0.94 -2.57 0.00 0.00 177.10 171.57 1g9l s SER 137 N 6.61 6.59 -0.17 -1.22 1.04 -1.26 -5.07 113.70 120.21 1g9l s SER 137 Ca 0.66 0.70 -0.20 0.00 0.48 0.00 0.00 55.95 57.59 1g9l s SER 137 Cb -0.02 -2.17 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 1g9l s SER 137 CO 0.07 0.31 0.60 0.00 0.98 0.00 0.00 173.24 175.20 1g9l s ALA 138 N -0.77 3.51 -0.22 5.32 0.00 -1.26 -5.05 121.76 123.29 1g9l s ALA 138 Ca 0.19 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 1g9l s ALA 138 Cb -0.14 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1g9l s ALA 138 CO 0.08 -0.42 0.22 -0.08 0.00 0.00 0.00 175.76 175.57 1g9l s THR 139 N 1.58 5.32 -0.54 0.00 -1.32 -1.26 -4.98 115.64 114.44 1g9l s THR 139 Ca 0.28 0.33 0.01 0.00 -1.21 0.00 0.00 61.69 61.11 1g9l s THR 139 Cb -0.16 -3.56 0.50 0.00 -1.51 0.00 0.00 72.50 67.77 1g9l s THR 139 CO 0.11 0.34 1.85 0.61 -2.21 0.00 0.00 174.62 175.32 1g9l n GLY 140 N 4.05 5.63 3.69 6.08 0.00 -1.26 -4.96 105.19 118.41 1g9l n GLY 140 Ca -0.13 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 1g9l n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g9l s VAL 141 N -4.39 5.16 0.80 1.61 1.01 -1.26 -3.02 120.40 120.31 1g9l s VAL 141 Ca 0.60 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1g9l s VAL 141 Cb 0.48 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 33.59 1g9l s VAL 141 CO 0.02 0.44 1.17 -2.16 0.00 0.00 0.00 175.10 174.57 1g9l s PRO 142 N 0.40 1.99 -0.10 2.72 0.04 -1.26 -5.09 135.00 133.70 1g9l s PRO 142 Ca 0.06 0.10 0.16 0.00 0.04 0.00 0.00 61.00 61.36 1g9l s PRO 142 Cb -0.12 -1.96 0.58 0.00 0.04 0.00 0.00 34.50 33.04 1g9l s PRO 142 CO -0.01 -1.57 1.49 0.25 0.04 0.00 0.00 177.00 177.20 1g9l n THR 143 N -3.29 1.73 -0.43 1.26 -2.24 -1.17 -5.21 114.28 104.93 1g9l n THR 143 Ca 0.08 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1g9l n THR 143 Cb 0.61 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1g9l n THR 143 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02