#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 -1.23 -0.64 1.61 0.11 -2.02 -3.07 132.00 126.75 1g9l h PRO 2 Ca 0.00 0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1g9l h PRO 2 Cb 0.00 0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1g9l h PRO 2 CO 0.00 -0.82 0.00 1.28 -0.21 0.00 0.00 178.00 178.25 1g9l n LEU 3 N -5.64 4.03 -4.61 2.35 4.77 -1.26 -4.91 117.00 111.73 1g9l n LEU 3 Ca -0.16 -2.03 -0.43 0.00 -0.03 0.00 0.00 56.01 53.36 1g9l n LEU 3 Cb 0.51 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1g9l n LEU 3 CO 0.40 0.75 1.07 -0.83 -1.33 0.00 0.00 177.39 177.44 1g9l s GLY 4 N -0.88 1.33 -0.22 -0.72 0.00 -1.16 -4.88 107.32 100.79 1g9l s GLY 4 Ca 0.44 -0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.76 1g9l s GLY 4 CO 0.23 2.47 -0.14 -1.26 0.00 0.00 0.00 173.10 174.41 1g9l n SER 5 N 7.77 1.90 -3.71 1.64 2.88 -1.26 -4.87 113.62 117.98 1g9l n SER 5 Ca 0.13 0.41 -0.11 0.00 -1.33 0.00 0.00 58.87 57.96 1g9l n SER 5 Cb 0.48 -0.87 -0.12 0.00 -0.75 0.00 0.00 64.21 62.95 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l s ALA 6 N -2.55 -0.79 -1.41 -1.46 0.00 -1.26 -4.90 121.76 109.40 1g9l s ALA 6 Ca -0.31 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.80 1g9l s ALA 6 Cb 0.09 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.42 1g9l s ALA 6 CO 0.48 -0.29 1.01 0.00 0.00 0.00 0.00 175.76 176.95 1g9l n ALA 7 N 4.40 -1.49 -2.15 0.00 0.00 -1.26 -4.86 120.51 115.16 1g9l n ALA 7 Ca -0.22 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1g9l n ALA 7 Cb 0.53 -4.20 -0.03 0.00 0.00 0.00 0.00 19.45 15.76 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 -4.67 2.96 -3.36 0.00 0.00 -1.26 -5.02 120.51 109.16 1g9l n ALA 8 Ca -0.06 -1.10 -0.45 0.00 0.00 0.00 0.00 53.44 51.83 1g9l n ALA 8 Cb 0.58 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 9 N 0.00 3.79 -0.73 0.00 0.00 -1.26 -4.40 121.76 119.16 1g9l s ALA 9 Ca 0.10 -2.88 -0.06 0.00 0.00 0.00 0.00 51.96 49.12 1g9l s ALA 9 Cb 0.11 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1g9l s ALA 9 CO -0.05 -2.11 0.64 0.25 0.00 0.00 0.00 175.76 174.48 1g9l n THR 10 N 4.63 -5.67 -1.77 0.00 -2.24 -1.26 -4.80 114.28 103.18 1g9l n THR 10 Ca -0.02 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1g9l n THR 10 Cb 0.43 -4.32 -0.03 0.00 -2.10 0.00 0.00 70.33 64.31 1g9l n THR 10 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1g9l s PRO 11 N -3.97 3.57 0.35 -0.78 0.02 -1.26 -4.86 135.00 128.08 1g9l s PRO 11 Ca 0.07 2.05 0.22 0.00 0.02 0.00 0.00 61.00 63.36 1g9l s PRO 11 Cb -0.01 -4.23 0.21 0.00 0.02 0.00 0.00 34.50 30.50 1g9l s PRO 11 CO 0.85 -1.60 1.43 0.00 -0.33 0.00 0.00 177.00 177.35 1g9l h ALA 12 N 12.71 0.83 -2.10 -1.55 0.00 -2.03 -3.43 119.26 123.70 1g9l h ALA 12 Ca -0.41 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 53.79 1g9l h ALA 12 Cb 1.21 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1g9l h ALA 12 CO 0.97 0.10 0.30 0.08 0.00 0.00 0.00 179.25 180.70 1g9l s VAL 13 N -3.21 4.70 0.74 0.00 1.01 -1.26 -5.05 120.40 117.33 1g9l s VAL 13 Ca 0.05 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 1g9l s VAL 13 Cb 0.06 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1g9l s VAL 13 CO 0.71 -0.65 1.09 0.00 0.00 0.00 0.00 175.10 176.25 1g9l s ARG 14 N 3.15 2.27 0.41 2.72 3.03 -1.26 -5.08 118.95 124.20 1g9l s ARG 14 Ca 0.28 0.05 -0.02 0.00 2.03 0.00 0.00 55.73 58.08 1g9l s ARG 14 Cb -0.13 -2.06 -0.03 0.00 -1.03 0.00 0.00 34.95 31.71 1g9l s ARG 14 CO 0.21 -1.32 0.66 0.95 -1.13 0.00 0.00 175.30 174.67 1g9l s THR 15 N -3.39 4.84 -0.37 4.99 -4.23 -1.26 -5.07 115.64 111.14 1g9l s THR 15 Ca 0.60 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 1g9l s THR 15 Cb -0.11 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.95 1g9l s THR 15 CO 0.48 -0.63 0.21 -0.69 -0.54 0.00 0.00 174.62 173.46 1g9l s VAL 16 N -2.52 4.68 -0.66 2.29 1.01 -1.26 -4.95 120.40 118.99 1g9l s VAL 16 Ca 0.44 -0.78 0.18 0.00 0.00 0.00 0.00 61.98 61.82 1g9l s VAL 16 Cb -0.10 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 32.87 1g9l s VAL 16 CO 0.40 -0.21 1.55 -0.81 0.00 0.00 0.00 175.10 176.02 1g9l n PRO 17 N 5.02 0.10 -2.27 2.72 -0.04 -1.26 -4.62 135.00 134.65 1g9l n PRO 17 Ca -0.12 0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 1g9l n PRO 17 Cb 0.47 -1.73 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 1g9l n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g9l s GLN 18 N -3.21 3.42 -0.09 0.54 -0.21 -1.26 -4.97 119.66 113.88 1g9l s GLN 18 Ca 0.04 0.92 -0.30 0.00 0.02 0.00 0.00 55.36 56.04 1g9l s GLN 18 Cb 0.08 -4.10 -0.02 0.00 1.00 0.00 0.00 33.01 29.97 1g9l s GLN 18 CO 0.28 -1.76 1.17 0.71 -2.12 0.00 0.00 175.29 173.58 1g9l s TYR 19 N 6.03 3.20 -0.49 0.91 2.02 -1.26 -5.00 117.35 122.76 1g9l s TYR 19 Ca 0.63 1.26 -0.15 0.00 -0.37 0.00 0.00 57.07 58.44 1g9l s TYR 19 Cb -0.15 -3.39 0.09 0.00 -0.40 0.00 0.00 41.96 38.12 1g9l s TYR 19 CO 0.31 -1.15 0.43 0.15 -1.57 0.00 0.00 175.55 173.72 1g9l s LYS 20 N 2.42 2.97 0.01 -0.62 1.02 -1.26 -5.04 119.74 119.24 1g9l s LYS 20 Ca 0.54 -1.48 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 1g9l s LYS 20 Cb -0.23 -4.18 -0.07 0.00 -0.52 0.00 0.00 37.83 32.84 1g9l s LYS 20 CO 0.19 -1.13 1.63 -0.47 -0.92 0.00 0.00 175.35 174.66 1g9l s TYR 21 N 1.62 2.27 0.04 3.18 5.04 -1.26 -4.91 117.35 123.32 1g9l s TYR 21 Ca 0.04 0.31 -0.23 0.00 -2.44 0.00 0.00 57.07 54.75 1g9l s TYR 21 Cb -0.26 -3.92 -0.15 0.00 0.35 0.00 0.00 41.96 37.98 1g9l s TYR 21 CO 0.05 -3.74 1.45 0.00 -1.34 0.00 0.00 175.55 171.97 1g9l h ALA 22 N 8.79 0.12 -2.31 3.97 0.00 -1.99 -3.44 119.26 124.40 1g9l h ALA 22 Ca -0.41 -0.19 -0.49 0.00 0.00 0.00 0.00 54.91 53.82 1g9l h ALA 22 Cb 1.19 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.01 1g9l h ALA 22 CO 0.94 -0.19 0.38 0.00 0.00 0.00 0.00 179.25 180.38 1g9l s ALA 23 N -4.91 2.85 -0.73 0.00 0.00 -1.26 -4.97 121.76 112.74 1g9l s ALA 23 Ca -0.14 0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.22 1g9l s ALA 23 Cb 0.05 -3.18 0.78 0.00 0.00 0.00 0.00 23.12 20.77 1g9l s ALA 23 CO 0.70 -0.72 1.70 0.41 0.00 0.00 0.00 175.76 177.85 1g9l n GLY 24 N -1.48 2.86 3.75 0.00 0.00 -1.26 -4.94 105.19 104.12 1g9l n GLY 24 Ca 0.08 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.28 4.53 0.00 1.61 -7.23 -1.26 -5.12 120.40 110.65 1g9l s VAL 25 Ca 0.54 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1g9l s VAL 25 Cb 0.37 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1g9l s VAL 25 CO 0.21 0.35 0.00 -1.14 -0.31 0.00 0.00 175.10 174.21 1g9l n ARG 26 N 1.21 1.62 -2.11 4.82 0.63 -1.26 -4.91 116.66 116.67 1g9l n ARG 26 Ca -0.13 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.37 1g9l n ARG 26 Cb 0.53 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.41 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1g9l s ASN 27 N -1.20 6.36 0.01 6.15 -0.87 -1.26 -4.92 114.94 119.22 1g9l s ASN 27 Ca 0.00 1.62 -0.26 0.00 -1.57 0.00 0.00 52.86 52.65 1g9l s ASN 27 Cb 0.00 -2.53 -0.16 0.00 -0.02 0.00 0.00 41.25 38.54 1g9l s ASN 27 CO 0.00 -1.27 1.20 1.55 -2.57 0.00 0.00 177.10 176.01 1g9l h PRO 28 N 10.79 -0.64 -5.61 -0.60 0.13 -2.06 -3.41 132.00 130.61 1g9l h PRO 28 Ca -0.34 0.04 -0.63 0.00 -0.87 0.00 0.00 66.00 64.21 1g9l h PRO 28 Cb 1.15 0.15 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1g9l h PRO 28 CO 1.00 -0.34 0.24 -0.65 -0.23 0.00 0.00 178.00 178.02 1g9l s GLN 29 N -4.74 3.64 -0.03 0.86 -0.21 -1.26 -5.05 119.66 112.88 1g9l s GLN 29 Ca -0.14 0.09 -0.13 0.00 0.02 0.00 0.00 55.36 55.19 1g9l s GLN 29 Cb 0.02 -3.83 -0.05 0.00 1.00 0.00 0.00 33.01 30.14 1g9l s GLN 29 CO 0.49 -0.83 0.35 -0.65 -2.12 0.00 0.00 175.29 172.53 1g9l s GLN 30 N 2.90 3.83 0.00 2.91 -1.52 -1.26 -4.98 119.66 121.55 1g9l s GLN 30 Ca 0.27 0.29 0.28 0.00 -1.95 0.00 0.00 55.36 54.25 1g9l s GLN 30 Cb -0.14 -3.22 1.01 0.00 -0.22 0.00 0.00 33.01 30.44 1g9l s GLN 30 CO 0.17 0.69 1.75 1.58 -0.25 0.00 0.00 175.29 179.22 1g9l n HIS 31 N 1.92 0.00 -2.11 0.91 -0.00 -1.26 -4.44 115.22 110.23 1g9l n HIS 31 Ca -0.15 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.61 1g9l n HIS 31 Cb 0.53 -0.29 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1g9l n LEU 32 N -1.25 6.78 -4.68 0.27 7.94 -1.26 -4.95 117.00 119.86 1g9l n LEU 32 Ca 0.10 -4.48 -0.35 0.00 -1.11 0.00 0.00 56.01 50.17 1g9l n LEU 32 Cb 0.31 -1.54 -0.09 0.00 0.53 0.00 0.00 43.42 42.64 1g9l n LEU 32 CO 0.28 1.32 -0.24 0.54 -1.11 0.00 0.00 177.39 178.17 1g9l s ASN 33 N 1.62 5.72 0.00 1.96 2.20 -1.26 -4.98 114.94 120.20 1g9l s ASN 33 Ca 0.43 0.14 0.25 0.00 -0.94 0.00 0.00 52.86 52.75 1g9l s ASN 33 Cb 0.11 -1.93 0.57 0.00 -2.00 0.00 0.00 41.25 38.00 1g9l s ASN 33 CO -0.03 0.22 1.45 0.00 -2.94 0.00 0.00 177.10 175.81 1g9l n ALA 34 N 3.20 3.14 -2.26 3.54 0.00 -1.26 -4.92 120.51 121.95 1g9l n ALA 34 Ca -0.17 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.48 1g9l n ALA 34 Cb 0.53 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1g9l n ALA 34 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1g9l s GLN 35 N -2.43 3.83 0.75 0.00 -2.07 -1.26 -5.04 119.66 113.43 1g9l s GLN 35 Ca 0.24 0.43 -0.16 0.00 -1.82 0.00 0.00 55.36 54.06 1g9l s GLN 35 Cb 0.19 -2.49 -0.02 0.00 -1.09 0.00 0.00 33.01 29.61 1g9l s GLN 35 CO 0.51 0.13 0.64 -2.30 -1.32 0.00 0.00 175.29 172.95 1g9l n PRO 36 N -0.73 0.28 -3.81 9.60 -0.02 -1.26 -4.99 135.00 134.07 1g9l n PRO 36 Ca 0.02 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 1g9l n PRO 36 Cb 0.53 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1g9l n PRO 36 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1g9l s GLN 37 N -3.03 3.66 0.06 -0.52 -0.44 -1.26 -5.10 119.66 113.03 1g9l s GLN 37 Ca 0.67 -0.10 0.01 0.00 -2.50 0.00 0.00 55.36 53.43 1g9l s GLN 37 Cb -0.33 -3.25 -0.04 0.00 -1.64 0.00 0.00 33.01 27.75 1g9l s GLN 37 CO 0.57 0.65 0.15 0.54 0.50 0.00 0.00 175.29 177.70 1g9l s VAL 38 N -0.68 5.00 0.59 1.34 0.11 -1.26 -5.12 120.40 120.38 1g9l s VAL 38 Ca 0.14 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1g9l s VAL 38 Cb -0.12 -3.41 0.07 0.00 -1.53 0.00 0.00 36.38 31.39 1g9l s VAL 38 CO 0.03 0.16 0.82 0.42 -3.33 0.00 0.00 175.10 173.20 1g9l s THR 39 N -1.42 2.42 0.00 5.04 -4.23 -1.26 -5.12 115.64 111.06 1g9l s THR 39 Ca 0.31 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1g9l s THR 39 Cb -0.13 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1g9l s THR 39 CO 0.24 0.00 0.00 0.23 -0.54 0.00 0.00 174.62 174.55 1g9l n MET 40 N -2.40 0.27 -2.71 3.99 2.81 -1.26 -5.02 117.12 112.80 1g9l n MET 40 Ca 0.12 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.72 1g9l n MET 40 Cb 0.60 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.10 1g9l n MET 40 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1g9l n GLN 41 N -0.98 3.50 -2.94 0.03 6.02 -1.26 -4.95 117.38 116.80 1g9l n GLN 41 Ca 0.00 -4.66 -0.11 0.00 -0.01 0.00 0.00 57.00 52.23 1g9l n GLN 41 Cb 0.00 -2.27 0.01 0.00 1.02 0.00 0.00 30.24 29.00 1g9l n GLN 41 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1g9l n GLN 42 N -0.32 -2.45 -0.67 -1.09 6.02 -1.26 -4.92 117.38 112.69 1g9l n GLN 42 Ca 0.36 2.10 -0.31 0.00 -0.01 0.00 0.00 57.00 59.15 1g9l n GLN 42 Cb 0.45 -4.82 0.28 0.00 1.02 0.00 0.00 30.24 27.16 1g9l n GLN 42 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1g9l s PRO 43 N -2.28 -2.50 -0.51 -1.09 0.04 -1.26 -4.85 135.00 122.55 1g9l s PRO 43 Ca 0.20 -0.06 -0.27 0.00 0.04 0.00 0.00 61.00 60.91 1g9l s PRO 43 Cb -0.05 -1.45 -0.04 0.00 0.04 0.00 0.00 34.50 33.01 1g9l s PRO 43 CO 0.75 -4.55 2.07 0.00 0.04 0.00 0.00 177.00 175.30 1g9l s ALA 44 N -2.59 2.10 0.06 8.56 0.00 -1.26 -4.96 121.76 123.67 1g9l s ALA 44 Ca 0.70 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 1g9l s ALA 44 Cb -0.10 -4.27 -0.06 0.00 0.00 0.00 0.00 23.12 18.69 1g9l s ALA 44 CO 0.56 -3.88 0.45 0.14 0.00 0.00 0.00 175.76 173.04 1g9l s VAL 45 N 9.87 4.99 -0.72 0.00 -7.23 -1.26 -5.03 120.40 121.01 1g9l s VAL 45 Ca 0.81 0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 61.49 1g9l s VAL 45 Cb -0.17 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.13 1g9l s VAL 45 CO 0.25 0.41 1.08 -1.00 -0.31 0.00 0.00 175.10 175.53 1g9l s HIS 46 N -1.27 2.60 0.06 2.82 3.76 -1.26 -5.02 115.29 116.98 1g9l s HIS 46 Ca 0.30 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.61 1g9l s HIS 46 Cb -0.16 -4.40 -0.06 0.00 1.11 0.00 0.00 32.58 29.08 1g9l s HIS 46 CO 0.17 -1.76 0.37 0.08 -0.85 0.00 0.00 174.74 172.75 1g9l s VAL 47 N 4.42 5.14 -0.04 -0.90 1.01 -1.26 -5.02 120.40 123.75 1g9l s VAL 47 Ca 0.28 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.44 1g9l s VAL 47 Cb -0.13 -3.63 -0.17 0.00 0.00 0.00 0.00 36.38 32.45 1g9l s VAL 47 CO 0.09 0.33 1.03 -0.61 0.00 0.00 0.00 175.10 175.93 1g9l h GLN 48 N 3.85 -0.19 -7.11 2.72 4.15 -2.06 -3.46 115.11 113.01 1g9l h GLN 48 Ca -0.49 0.01 -0.46 0.00 0.77 0.00 0.00 58.65 58.48 1g9l h GLN 48 Cb 1.20 0.04 0.08 0.00 0.21 0.00 0.00 27.48 29.01 1g9l h GLN 48 CO 0.66 0.25 0.10 0.20 -1.93 0.00 0.00 178.83 178.11 1g9l s GLY 49 N -3.18 1.77 -0.68 2.39 0.00 -1.26 -5.05 107.32 101.31 1g9l s GLY 49 Ca -0.14 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 42.87 1g9l s GLY 49 CO 0.54 -1.08 0.59 1.20 0.00 0.00 0.00 173.10 174.36 1g9l s GLN 50 N -5.12 3.12 0.02 2.90 -1.52 -1.26 -5.06 119.66 112.75 1g9l s GLN 50 Ca 0.65 -2.23 -0.28 0.00 -1.95 0.00 0.00 55.36 51.55 1g9l s GLN 50 Cb -0.06 -4.20 -0.04 0.00 -0.22 0.00 0.00 33.01 28.49 1g9l s GLN 50 CO 0.44 -1.26 0.87 -1.83 -0.25 0.00 0.00 175.29 173.26 1g9l s GLU 51 N 0.57 4.55 0.66 2.91 -1.05 -1.26 -5.06 118.70 120.02 1g9l s GLU 51 Ca 0.13 1.24 -0.11 0.00 -0.15 0.00 0.00 54.97 56.08 1g9l s GLU 51 Cb -0.18 -3.42 0.16 0.00 -0.44 0.00 0.00 34.13 30.25 1g9l s GLU 51 CO -0.04 0.11 0.68 -0.35 0.95 0.00 0.00 175.26 176.60 1g9l n PRO 52 N 3.38 -1.72 -2.96 -4.83 -0.04 -1.26 -5.03 135.00 122.54 1g9l n PRO 52 Ca 0.02 -1.07 -0.33 0.00 -0.04 0.00 0.00 63.50 62.08 1g9l n PRO 52 Cb 0.50 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 33.01 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 4.04 0.00 1.53 2.96 -1.26 -4.92 118.68 121.02 1g9l s LEU 53 Ca 0.42 1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 55.73 1g9l s LEU 53 Cb -0.03 -4.27 0.04 0.00 0.50 0.00 0.00 46.19 42.43 1g9l s LEU 53 CO 0.31 -0.26 0.55 0.35 -1.32 0.00 0.00 176.35 175.98 1g9l n THR 54 N -0.38 0.00 -0.28 3.68 -2.24 -1.26 -4.91 114.28 108.89 1g9l n THR 54 Ca 0.05 -0.34 0.24 0.00 -2.27 0.00 0.00 64.05 61.73 1g9l n THR 54 Cb 0.53 0.44 0.57 0.00 -2.10 0.00 0.00 70.33 69.78 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g9l h ALA 55 N 2.00 2.43 -0.39 6.98 0.00 -1.57 0.18 119.26 128.89 1g9l h ALA 55 Ca -0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1g9l h ALA 55 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1g9l h ALA 55 CO 0.20 -0.77 0.12 0.77 0.00 0.00 0.00 179.25 179.58 1g9l h SER 56 N 0.29 0.57 -0.74 0.00 0.02 -1.86 -0.42 113.55 111.41 1g9l h SER 56 Ca 0.53 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1g9l h SER 56 Cb 1.53 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 1g9l h SER 56 CO -0.18 0.63 0.43 0.24 -1.14 0.00 0.00 176.83 176.80 1g9l h MET 57 N 0.49 1.02 -0.49 3.45 2.07 -1.05 -2.25 114.93 118.18 1g9l h MET 57 Ca 0.13 -0.11 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 1g9l h MET 57 Cb 0.26 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 29.76 1g9l h MET 57 CO -0.00 0.74 0.26 -0.07 1.07 0.00 0.00 176.91 178.90 1g9l h LEU 58 N 1.02 0.62 -0.48 1.22 -0.00 -1.04 -1.66 115.31 114.99 1g9l h LEU 58 Ca 0.26 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1g9l h LEU 58 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1g9l h LEU 58 CO -0.05 0.55 0.00 0.00 -0.00 0.00 0.00 178.44 178.94 1g9l n ALA 59 N -2.29 1.45 0.43 1.53 0.00 -0.19 -1.57 120.51 119.88 1g9l n ALA 59 Ca 0.02 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1g9l n ALA 59 Cb 0.09 -1.26 0.40 0.00 0.00 0.00 0.00 19.45 18.68 1g9l n ALA 59 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1g9l h SER 60 N 0.00 0.00 -2.08 0.00 0.02 -0.72 -3.33 113.55 107.45 1g9l h SER 60 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1g9l h SER 60 Cb 0.21 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.34 1g9l h SER 60 CO 0.00 0.00 -1.04 0.00 -1.14 0.00 0.00 176.83 174.65 1g9l n ALA 61 N -1.90 2.75 -0.04 3.77 0.00 -0.61 -4.88 120.51 119.59 1g9l n ALA 61 Ca 0.04 -3.76 -0.08 0.00 0.00 0.00 0.00 53.44 49.64 1g9l n ALA 61 Cb 0.40 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 3.06 -0.16 -0.72 0.00 0.11 -1.68 0.12 132.00 132.74 1g9l h PRO 62 Ca 0.11 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1g9l h PRO 62 Cb 0.84 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 1g9l h PRO 62 CO 0.59 -0.10 0.08 -0.35 -0.21 0.00 0.00 178.00 178.00 1g9l n PRO 63 N -5.32 3.80 0.00 1.05 -0.04 -1.26 -4.25 135.00 128.98 1g9l n PRO 63 Ca -0.01 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1g9l n PRO 63 Cb 0.24 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.30 0.00 -0.97 0.54 1.13 -0.82 -4.96 117.38 112.59 1g9l n GLN 64 Ca 0.26 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.22 1g9l n GLN 64 Cb 1.08 0.00 0.22 0.00 0.11 0.00 0.00 30.24 31.65 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 0.00 2.50 -0.26 -1.09 -0.58 -1.04 -4.62 120.64 115.55 1g9l n GLU 65 Ca 0.00 -3.07 -0.04 0.00 -0.42 0.00 0.00 57.16 53.63 1g9l n GLU 65 Cb 0.00 -2.04 0.07 0.00 -0.57 0.00 0.00 31.44 28.91 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 1.44 0.88 -0.89 3.49 4.15 -0.96 -2.59 115.11 120.64 1g9l h GLN 66 Ca 0.36 -0.05 -0.57 0.00 0.77 0.00 0.00 58.65 59.15 1g9l h GLN 66 Cb 2.22 -0.20 -0.41 0.00 0.21 0.00 0.00 27.48 29.30 1g9l h GLN 66 CO 0.71 0.58 -0.58 0.36 -1.93 0.00 0.00 178.83 177.98 1g9l n LYS 67 N -4.63 3.47 0.06 1.69 2.85 -1.26 -4.53 118.16 115.81 1g9l n LYS 67 Ca 0.07 -4.09 0.00 0.00 -1.05 0.00 0.00 58.31 53.24 1g9l n LYS 67 Cb 0.07 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.17 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1g9l n GLN 68 N -0.71 0.00 0.00 -1.58 6.02 -1.08 -4.84 117.38 115.19 1g9l n GLN 68 Ca 0.46 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.60 1g9l n GLN 68 Cb 0.88 -0.09 0.87 0.00 1.02 0.00 0.00 30.24 32.92 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 -3.01 0.85 -0.22 -1.09 0.00 -1.00 -3.47 117.12 109.17 1g9l n MET 69 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 57.70 57.59 1g9l n MET 69 Cb 0.05 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 31.80 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1g9l h LEU 70 N 0.10 0.78 -2.91 3.17 8.10 -1.80 -2.94 115.31 119.82 1g9l h LEU 70 Ca 0.00 -0.10 -0.08 0.00 0.11 0.00 0.00 57.88 57.81 1g9l h LEU 70 Cb 0.11 -0.20 -0.17 0.00 -0.44 0.00 0.00 40.66 39.97 1g9l h LEU 70 CO 0.00 0.66 -0.69 0.61 -4.11 0.00 0.00 178.44 174.91 1g9l n GLY 71 N -1.02 2.91 0.00 0.17 0.00 -1.25 -4.50 105.19 101.50 1g9l n GLY 71 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.34 0.00 0.00 1.61 1.02 -1.23 -3.82 120.64 117.88 1g9l n GLU 72 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1g9l n GLU 72 Cb 0.89 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1g9l n ARG 73 N 0.00 2.31 0.22 3.49 0.63 -1.11 -4.73 116.66 117.46 1g9l n ARG 73 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1g9l n ARG 73 Cb 0.18 -0.82 0.39 0.00 0.45 0.00 0.00 32.46 32.66 1g9l n ARG 73 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1g9l h LEU 74 N 0.00 0.00 -0.59 6.15 3.38 -1.78 -3.34 115.31 119.13 1g9l h LEU 74 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1g9l h LEU 74 Cb 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 1g9l h LEU 74 CO 0.00 0.17 -0.43 0.15 0.09 0.00 0.00 178.44 178.43 1g9l h PHE 75 N 0.00 -1.25 0.00 1.13 3.57 -1.90 0.54 116.94 119.04 1g9l h PHE 75 Ca -0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1g9l h PHE 75 Cb 0.84 0.63 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1g9l h PHE 75 CO 0.00 -0.42 0.00 -1.35 -2.23 0.00 0.00 178.31 174.31 1g9l h PRO 76 N -0.22 0.00 0.00 6.41 0.11 -1.94 -1.89 132.00 134.48 1g9l h PRO 76 Ca 0.19 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.10 1g9l h PRO 76 Cb 0.56 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 1g9l h PRO 76 CO -0.70 0.00 -2.10 1.28 -0.21 0.00 0.00 178.00 176.27 1g9l n LEU 77 N -2.31 0.12 -0.18 2.35 4.77 0.16 -4.33 117.00 117.58 1g9l n LEU 77 Ca -0.01 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 1g9l n LEU 77 Cb 0.06 0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1g9l n LEU 77 CO 0.11 0.26 0.89 0.40 -1.33 0.00 0.00 177.39 177.72 1g9l h ILE 78 N 0.00 1.25 0.00 -0.08 1.08 0.28 -1.99 117.51 118.06 1g9l h ILE 78 Ca -0.28 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 1g9l h ILE 78 Cb 1.67 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1g9l h ILE 78 CO 0.02 0.38 0.22 0.00 -0.69 0.00 0.00 178.15 178.08 1g9l n GLN 79 N -4.21 0.08 -0.00 2.37 6.02 -1.20 0.19 117.38 120.63 1g9l n GLN 79 Ca 0.04 0.54 -0.09 0.00 -0.01 0.00 0.00 57.00 57.48 1g9l n GLN 79 Cb 0.30 -1.99 -0.14 0.00 1.02 0.00 0.00 30.24 29.43 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 1.36 0.68 0.07 -1.58 0.00 -1.49 -1.77 119.26 116.52 1g9l h ALA 80 Ca 0.00 -1.36 -0.18 0.00 0.00 0.00 0.00 54.91 53.37 1g9l h ALA 80 Cb 0.45 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1g9l h ALA 80 CO 0.00 1.51 -0.91 0.52 0.00 0.00 0.00 179.25 180.37 1g9l h MET 81 N 0.00 0.15 0.14 0.00 2.86 -0.32 -3.41 114.93 114.35 1g9l h MET 81 Ca -0.24 -0.25 -0.29 0.00 -2.06 0.00 0.00 59.70 56.86 1g9l h MET 81 Cb 1.97 0.09 0.01 0.00 0.06 0.00 0.00 31.60 33.73 1g9l h MET 81 CO 0.09 1.12 -1.31 1.25 1.06 0.00 0.00 176.91 179.12 1g9l h HIS 82 N -0.62 0.54 0.00 -0.22 6.17 -1.76 -3.48 115.15 115.78 1g9l h HIS 82 Ca -0.20 -0.39 0.00 0.00 0.71 0.00 0.00 60.37 60.48 1g9l h HIS 82 Cb 1.46 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.37 1g9l h HIS 82 CO 0.17 1.32 0.00 -0.35 0.71 0.00 0.00 177.93 179.79 1g9l n PRO 83 N -3.54 0.00 -1.63 5.26 -0.04 -1.26 -4.90 135.00 128.88 1g9l n PRO 83 Ca -0.10 0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 1g9l n PRO 83 Cb 1.04 -0.28 -0.07 0.00 -0.04 0.00 0.00 33.50 34.15 1g9l n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1g9l n THR 84 N -1.73 1.52 -1.31 0.52 -1.04 -0.67 -3.55 114.28 108.03 1g9l n THR 84 Ca 0.00 -1.50 0.00 0.00 -2.04 0.00 0.00 64.05 60.51 1g9l n THR 84 Cb 0.00 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.33 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1g9l n LEU 85 N 12.72 0.00 -1.70 -4.42 7.99 -1.26 -4.94 117.00 125.39 1g9l n LEU 85 Ca 0.46 -0.17 -0.02 0.00 -0.01 0.00 0.00 56.01 56.26 1g9l n LEU 85 Cb 0.45 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.72 1g9l n LEU 85 CO 0.81 0.15 0.99 0.00 -1.51 0.00 0.00 177.39 177.83 1g9l n ALA 86 N 0.00 4.06 0.39 -1.18 0.00 -1.26 -4.33 120.51 118.21 1g9l n ALA 86 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.16 1g9l n ALA 86 Cb 0.50 -1.44 0.40 0.00 0.00 0.00 0.00 19.45 18.91 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 1.82 -1.09 0.00 0.00 0.00 -1.26 -4.15 105.19 100.51 1g9l n GLY 87 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.91 0.00 0.00 1.61 4.81 -1.26 -5.07 118.16 116.34 1g9l n LYS 88 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1g9l n LYS 88 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1g9l n ILE 89 N 0.00 0.00 -0.35 3.15 5.41 -1.26 -3.48 119.36 122.83 1g9l n ILE 89 Ca 0.00 0.01 0.13 0.00 1.00 0.00 0.00 62.75 63.89 1g9l n ILE 89 Cb 0.00 -0.02 0.33 0.00 -0.71 0.00 0.00 39.64 39.24 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 0.71 -0.59 1.39 2.02 -1.90 0.58 112.91 115.11 1g9l h THR 90 Ca 0.00 -0.26 0.13 0.00 0.77 0.00 0.00 66.41 67.06 1g9l h THR 90 Cb 0.00 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.27 1g9l h THR 90 CO 0.00 0.14 0.41 1.23 0.37 0.00 0.00 175.52 177.66 1g9l h GLY 91 N 0.75 0.35 1.73 2.16 0.00 -1.79 0.23 103.07 106.50 1g9l h GLY 91 Ca 0.57 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.68 1g9l h GLY 91 CO -0.37 0.04 -0.78 1.98 0.00 0.00 0.00 176.54 177.42 1g9l h MET 92 N 0.23 0.00 0.00 4.80 1.85 0.07 -3.21 114.93 118.66 1g9l h MET 92 Ca 0.28 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.37 1g9l h MET 92 Cb 0.80 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.83 1g9l h MET 92 CO -0.05 0.48 0.01 1.28 -0.40 0.00 0.00 176.91 178.23 1g9l n LEU 93 N -3.14 0.00 -1.62 3.39 7.99 0.82 0.93 117.00 125.36 1g9l n LEU 93 Ca -0.01 0.39 -0.09 0.00 -0.01 0.00 0.00 56.01 56.29 1g9l n LEU 93 Cb 0.78 -0.39 0.23 0.00 -0.11 0.00 0.00 43.42 43.93 1g9l n LEU 93 CO 0.42 -0.39 0.94 0.18 -1.51 0.00 0.00 177.39 177.03 1g9l n LEU 94 N -1.39 5.29 0.00 2.23 7.99 -1.20 -4.05 117.00 125.88 1g9l n LEU 94 Ca 0.00 -3.51 0.00 0.00 -0.01 0.00 0.00 56.01 52.49 1g9l n LEU 94 Cb 0.01 -0.71 0.00 0.00 -0.11 0.00 0.00 43.42 42.61 1g9l n LEU 94 CO 0.00 1.03 0.00 -1.84 -1.51 0.00 0.00 177.39 175.07 1g9l n GLU 95 N -0.84 0.00 0.00 3.23 0.28 0.26 -5.09 120.64 118.48 1g9l n GLU 95 Ca 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1g9l n GLU 95 Cb 1.28 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.15 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 0.11 -4.64 119.36 118.67 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 0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 -0.08 -1.26 -4.77 116.55 117.72 1g9l n ASP 97 Ca 0.00 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1g9l n ASP 97 Cb 0.00 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1g9l n ASP 97 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1g9l n ASN 98 N -1.17 0.00 0.09 1.67 3.02 -1.26 -4.67 115.26 112.94 1g9l n ASN 98 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1g9l n ASN 98 Cb 0.01 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1g9l n ASN 98 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1g9l h SER 99 N 0.00 0.24 1.16 6.41 4.64 -1.97 -2.77 113.55 121.26 1g9l h SER 99 Ca 0.00 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 1g9l h SER 99 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1g9l h SER 99 CO 0.00 0.94 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.33 1g9l h GLU 100 N 0.12 0.00 0.00 4.77 5.08 -1.93 -0.23 114.58 122.40 1g9l h GLU 100 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1g9l h GLU 100 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1g9l h GLU 100 CO 0.12 0.25 -0.42 1.25 -1.00 0.00 0.00 179.01 179.21 1g9l h LEU 101 N 0.00 0.00 0.04 1.33 5.85 -1.65 -2.34 115.31 118.55 1g9l h LEU 101 Ca -0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.47 1g9l h LEU 101 Cb 0.89 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1g9l h LEU 101 CO 0.03 0.42 -1.31 -0.07 -0.34 0.00 0.00 178.44 177.17 1g9l h LEU 102 N 0.00 0.15 -0.71 2.25 4.07 -1.19 -3.35 115.31 116.54 1g9l h LEU 102 Ca -0.00 -0.69 -0.04 0.00 0.08 0.00 0.00 57.88 57.22 1g9l h LEU 102 Cb 1.07 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.73 1g9l h LEU 102 CO 0.05 1.54 0.29 -0.74 -1.08 0.00 0.00 178.44 178.50 1g9l h HIS 103 N -0.68 1.07 -0.64 1.13 2.76 -1.13 -2.39 115.15 115.27 1g9l h HIS 103 Ca -0.32 -0.08 0.10 0.00 -2.20 0.00 0.00 60.37 57.87 1g9l h HIS 103 Cb 1.49 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 1g9l h HIS 103 CO 0.12 0.82 0.43 0.00 -1.30 0.00 0.00 177.93 178.00 1g9l h MET 104 N 1.01 0.43 -0.00 5.26 -0.00 -1.60 0.33 114.93 120.36 1g9l h MET 104 Ca 0.24 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.91 1g9l h MET 104 Cb 0.20 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 1g9l h MET 104 CO -0.02 0.28 -0.31 1.28 -0.00 0.00 0.00 176.91 178.14 1g9l n LEU 105 N -4.47 0.46 -0.08 -0.10 4.77 -0.97 -2.54 117.00 114.06 1g9l n LEU 105 Ca 0.11 0.07 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 1g9l n LEU 105 Cb 0.39 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1g9l n LEU 105 CO 0.34 0.10 0.07 -1.84 -1.33 0.00 0.00 177.39 174.72 1g9l n GLU 106 N -1.32 3.38 -3.78 3.23 0.28 0.63 -4.71 120.64 118.36 1g9l n GLU 106 Ca 0.08 -0.22 -0.14 0.00 -0.16 0.00 0.00 57.16 56.72 1g9l n GLU 106 Cb 0.33 -0.96 -0.15 0.00 1.43 0.00 0.00 31.44 32.08 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1g9l s SER 107 N -1.61 0.04 0.00 -1.84 0.15 0.84 -5.01 113.70 106.26 1g9l s SER 107 Ca 0.05 0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.87 1g9l s SER 107 Cb 0.07 -0.03 0.64 0.00 -1.71 0.00 0.00 66.02 64.99 1g9l s SER 107 CO 0.31 -0.11 1.06 -2.65 1.20 0.00 0.00 173.24 173.05 1g9l n PRO 108 N 4.00 0.38 0.00 5.44 -0.02 -1.26 -1.63 135.00 141.90 1g9l n PRO 108 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1g9l n PRO 108 Cb 0.52 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.94 4.09 -0.02 -0.52 1.02 -1.26 -4.73 120.64 118.28 1g9l n GLU 109 Ca 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 1g9l n GLU 109 Cb 0.04 -0.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.94 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 0.36 -1.23 1.62 0.02 -1.55 0.34 113.55 113.10 1g9l h SER 110 Ca 0.00 -0.74 0.36 0.00 -0.84 0.00 0.00 61.79 60.57 1g9l h SER 110 Cb 0.00 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 1g9l h SER 110 CO 0.00 1.05 0.90 0.25 -1.14 0.00 0.00 176.83 177.89 1g9l h LEU 111 N -0.30 0.00 0.00 5.07 7.12 -1.57 0.52 115.31 126.16 1g9l h LEU 111 Ca -0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1g9l h LEU 111 Cb 1.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1g9l h LEU 111 CO 0.07 0.00 -0.45 0.54 -0.13 0.00 0.00 178.44 178.47 1g9l n ARG 112 N -4.13 0.29 -0.40 1.25 1.74 -1.14 -2.51 116.66 111.76 1g9l n ARG 112 Ca 0.27 0.27 0.37 0.00 -0.77 0.00 0.00 57.85 57.98 1g9l n ARG 112 Cb 1.30 -1.18 0.72 0.00 -1.02 0.00 0.00 32.46 32.28 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 -0.59 0.09 0.22 0.55 0.87 -0.14 0.80 113.55 115.36 1g9l h SER 113 Ca 0.00 0.03 -0.31 0.00 -1.23 0.00 0.00 61.79 60.28 1g9l h SER 113 Cb 0.45 0.01 0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1g9l h SER 113 CO 0.00 -0.01 -1.38 0.11 -0.53 0.00 0.00 176.83 175.03 1g9l h LYS 114 N 0.07 0.47 0.56 2.24 1.79 -0.13 -3.00 116.57 118.57 1g9l h LYS 114 Ca 0.66 -0.81 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 1g9l h LYS 114 Cb 2.45 0.30 0.01 0.00 -1.58 0.00 0.00 32.23 33.41 1g9l h LYS 114 CO -0.09 1.39 -0.27 0.28 -1.08 0.00 0.00 179.45 179.68 1g9l h VAL 115 N 0.02 0.00 -1.00 0.50 2.07 0.71 0.55 116.25 119.10 1g9l h VAL 115 Ca -0.25 -0.15 0.24 0.00 0.82 0.00 0.00 66.70 67.36 1g9l h VAL 115 Cb 2.05 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.70 1g9l h VAL 115 CO 0.24 0.00 0.59 -0.78 0.02 0.00 0.00 177.57 177.64 1g9l h ASP 116 N -0.90 0.68 0.18 0.57 1.82 -0.61 0.45 116.42 118.61 1g9l h ASP 116 Ca -0.08 0.13 -0.18 0.00 -0.39 0.00 0.00 57.03 56.51 1g9l h ASP 116 Cb 0.57 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.61 1g9l h ASP 116 CO 0.13 0.12 -0.70 -0.33 -1.61 0.00 0.00 179.24 176.85 1g9l h GLU 117 N 0.60 0.46 0.00 0.28 3.07 -1.47 -2.78 114.58 114.75 1g9l h GLU 117 Ca 0.64 -0.36 -0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1g9l h GLU 117 Cb 1.18 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1g9l h GLU 117 CO -0.47 0.99 -0.15 0.00 -1.40 0.00 0.00 179.01 177.98 1g9l h ALA 118 N 0.92 1.38 -0.17 3.43 0.00 0.45 -2.25 119.26 123.02 1g9l h ALA 118 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1g9l h ALA 118 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1g9l h ALA 118 CO 0.12 0.19 0.06 0.28 0.00 0.00 0.00 179.25 179.90 1g9l h VAL 119 N 0.00 1.18 -0.25 0.00 2.07 -0.59 0.98 116.25 119.64 1g9l h VAL 119 Ca -0.00 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.05 1g9l h VAL 119 Cb 0.35 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1g9l h VAL 119 CO 0.02 0.17 0.28 0.00 0.02 0.00 0.00 177.57 178.06 1g9l h ALA 120 N 0.88 1.90 0.08 1.67 0.00 -1.37 0.53 119.26 122.95 1g9l h ALA 120 Ca 0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 1g9l h ALA 120 Cb 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1g9l h ALA 120 CO -0.00 -0.41 -1.65 0.28 0.00 0.00 0.00 179.25 177.46 1g9l h VAL 121 N 0.00 0.98 -0.23 0.00 2.07 -1.02 -2.62 116.25 115.43 1g9l h VAL 121 Ca 0.12 -2.71 -0.07 0.00 0.82 0.00 0.00 66.70 64.86 1g9l h VAL 121 Cb 0.69 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1g9l h VAL 121 CO -0.00 0.74 -0.16 0.25 0.02 0.00 0.00 177.57 178.43 1g9l h LEU 122 N 0.04 0.38 -0.02 2.57 5.85 0.46 -0.16 115.31 124.43 1g9l h LEU 122 Ca -0.28 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 1g9l h LEU 122 Cb 2.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 1g9l h LEU 122 CO 0.12 0.57 -0.47 1.56 -0.34 0.00 0.00 178.44 179.87 1g9l h GLN 123 N 0.37 0.00 -0.20 1.25 1.08 -0.25 0.12 115.11 117.48 1g9l h GLN 123 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1g9l h GLN 123 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1g9l h GLN 123 CO 0.03 0.47 0.00 0.00 -0.95 0.00 0.00 178.83 178.38 1g9l n ALA 124 N -2.22 2.51 0.00 3.87 0.00 -0.55 -1.85 120.51 122.27 1g9l n ALA 124 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1g9l n ALA 124 Cb 0.72 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.27 0.00 0.03 0.00 -0.00 -0.18 -1.89 115.22 113.46 1g9l n HIS 125 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.66 1g9l n HIS 125 Cb 0.29 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.14 1g9l n HIS 125 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1g9l h GLN 126 N 0.00 0.29 0.00 1.57 1.08 -0.87 -3.42 115.11 113.76 1g9l h GLN 126 Ca 0.00 -0.49 -0.28 0.00 -1.45 0.00 0.00 58.65 56.43 1g9l h GLN 126 Cb 0.48 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.05 1g9l h GLN 126 CO 0.00 1.18 -1.68 0.00 -0.95 0.00 0.00 178.83 177.38 1g9l n ALA 127 N -2.88 0.93 -2.15 3.87 0.00 -0.77 -5.00 120.51 114.51 1g9l n ALA 127 Ca -0.26 -0.78 -0.20 0.00 0.00 0.00 0.00 53.44 52.20 1g9l n ALA 127 Cb 1.06 -0.13 0.02 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.48 2.83 -1.05 0.00 -2.85 -1.11 -5.03 119.74 110.06 1g9l s LYS 128 Ca -0.32 -0.88 -0.17 0.00 -1.00 0.00 0.00 55.97 53.61 1g9l s LYS 128 Cb 0.09 -2.63 0.14 0.00 -2.06 0.00 0.00 37.83 33.37 1g9l s LYS 128 CO 0.49 -0.37 1.26 -1.21 0.10 0.00 0.00 175.35 175.63 1g9l s GLU 129 N -4.51 3.79 0.06 1.78 2.02 -1.26 -3.58 118.70 117.01 1g9l s GLU 129 Ca 0.53 -2.06 -0.28 0.00 0.02 0.00 0.00 54.97 53.17 1g9l s GLU 129 Cb -0.10 -5.00 -0.15 0.00 0.10 0.00 0.00 34.13 28.98 1g9l s GLU 129 CO 0.36 -1.79 1.43 0.00 0.02 0.00 0.00 175.26 175.27 1g9l h ALA 130 N 8.20 -1.17 -2.33 5.21 0.00 -1.66 -3.43 119.26 124.08 1g9l h ALA 130 Ca 0.22 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.45 1g9l h ALA 130 Cb 0.96 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1g9l h ALA 130 CO 1.18 -1.15 0.08 0.00 0.00 0.00 0.00 179.25 179.36 1g9l s ALA 131 N -5.27 3.34 -0.84 0.00 0.00 -1.26 -4.99 121.76 112.74 1g9l s ALA 131 Ca -0.14 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1g9l s ALA 131 Cb 0.02 -2.75 0.30 0.00 0.00 0.00 0.00 23.12 20.70 1g9l s ALA 131 CO 0.46 0.34 2.10 1.04 0.00 0.00 0.00 175.76 179.70 1g9l n GLN 132 N -0.32 3.19 0.01 0.00 6.02 -1.26 -4.68 117.38 120.34 1g9l n GLN 132 Ca 0.03 -3.56 -0.13 0.00 -0.01 0.00 0.00 57.00 53.33 1g9l n GLN 132 Cb 0.53 -2.30 -0.09 0.00 1.02 0.00 0.00 30.24 29.40 1g9l n GLN 132 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1g9l h LYS 133 N 3.23 -0.04 -4.13 -1.09 1.63 -1.96 -3.34 116.57 110.87 1g9l h LYS 133 Ca 0.55 0.00 -0.75 0.00 -0.85 0.00 0.00 60.65 59.60 1g9l h LYS 133 Cb 0.16 0.01 -0.18 0.00 -0.60 0.00 0.00 32.23 31.62 1g9l h LYS 133 CO 1.33 0.37 1.52 0.00 -3.45 0.00 0.00 179.45 179.22 1g9l n ALA 134 N -2.33 4.51 -2.68 5.00 0.00 -1.26 -4.99 120.51 118.76 1g9l n ALA 134 Ca -0.08 -4.33 -0.34 0.00 0.00 0.00 0.00 53.44 48.69 1g9l n ALA 134 Cb 0.22 -2.95 -0.05 0.00 0.00 0.00 0.00 19.45 16.67 1g9l n ALA 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g9l s VAL 135 N 0.72 5.20 0.47 0.00 0.11 -1.26 -5.06 120.40 120.58 1g9l s VAL 135 Ca 0.40 0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 59.41 1g9l s VAL 135 Cb 0.02 -3.61 -0.07 0.00 -1.53 0.00 0.00 36.38 31.18 1g9l s VAL 135 CO 0.00 0.24 1.35 0.20 -3.33 0.00 0.00 175.10 173.57 1g9l s ASN 136 N -1.95 5.85 -1.29 3.54 -0.87 -1.26 -4.91 114.94 114.06 1g9l s ASN 136 Ca 0.33 2.76 -0.06 0.00 -1.57 0.00 0.00 52.86 54.32 1g9l s ASN 136 Cb -0.13 -2.64 0.15 0.00 -0.02 0.00 0.00 41.25 38.61 1g9l s ASN 136 CO 0.19 -1.17 2.21 -1.20 -2.57 0.00 0.00 177.10 174.56 1g9l n SER 137 N -0.36 7.35 -4.79 -1.22 7.64 -1.26 -4.99 113.62 115.99 1g9l n SER 137 Ca 0.06 -3.18 -0.31 0.00 1.01 0.00 0.00 58.87 56.45 1g9l n SER 137 Cb 0.44 -1.37 0.07 0.00 -1.01 0.00 0.00 64.21 62.34 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l s ALA 138 N -1.13 2.41 -0.07 -0.43 0.00 -1.26 -4.99 121.76 116.30 1g9l s ALA 138 Ca 0.49 0.11 0.21 0.00 0.00 0.00 0.00 51.96 52.78 1g9l s ALA 138 Cb 0.16 -3.20 -0.31 0.00 0.00 0.00 0.00 23.12 19.77 1g9l s ALA 138 CO -0.07 -1.55 0.44 -2.37 0.00 0.00 0.00 175.76 172.22 1g9l n THR 139 N -3.35 0.26 -2.16 0.00 5.66 -1.26 -4.98 114.28 108.45 1g9l n THR 139 Ca 0.08 -0.56 -0.27 0.00 -3.05 0.00 0.00 64.05 60.25 1g9l n THR 139 Cb 0.54 -0.10 0.11 0.00 -1.55 0.00 0.00 70.33 69.33 1g9l n THR 139 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1g9l s GLY 140 N -4.67 1.72 -0.06 1.09 0.00 -1.26 -5.02 107.32 99.12 1g9l s GLY 140 Ca -0.08 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 1g9l s GLY 140 CO 0.89 -0.58 1.20 0.54 0.00 0.00 0.00 173.10 175.16 1g9l s VAL 141 N -3.46 4.25 0.32 1.40 0.11 -1.26 -5.01 120.40 116.75 1g9l s VAL 141 Ca 0.66 1.58 -0.28 0.00 -2.93 0.00 0.00 61.98 61.01 1g9l s VAL 141 Cb -0.08 -4.01 -0.09 0.00 -1.53 0.00 0.00 36.38 30.67 1g9l s VAL 141 CO 0.48 -0.01 1.06 -2.16 -3.33 0.00 0.00 175.10 171.13 1g9l s PRO 142 N 2.26 4.51 0.21 1.54 0.04 -1.26 -4.96 135.00 137.34 1g9l s PRO 142 Ca 0.56 1.65 0.24 0.00 0.04 0.00 0.00 61.00 63.48 1g9l s PRO 142 Cb -0.25 -2.97 0.37 0.00 0.04 0.00 0.00 34.50 31.70 1g9l s PRO 142 CO 0.22 0.14 1.41 1.79 0.04 0.00 0.00 177.00 180.59 1g9l h THR 143 N 2.78 0.00 0.00 1.26 1.35 -2.07 -3.56 112.91 112.68 1g9l h THR 143 Ca -0.47 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1g9l h THR 143 Cb 1.21 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1g9l h THR 143 CO 0.65 0.00 0.00 0.55 -0.25 0.00 0.00 175.52 176.47