#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l s PRO 2 N 0.00 4.20 -0.77 1.61 0.04 -1.26 -4.92 135.00 133.91 1g9l s PRO 2 Ca 0.00 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.18 1g9l s PRO 2 Cb 0.00 -3.83 0.31 0.00 0.04 0.00 0.00 34.50 31.02 1g9l s PRO 2 CO 0.00 -0.77 2.14 1.47 0.04 0.00 0.00 177.00 179.88 1g9l n LEU 3 N 6.50 7.38 0.00 -3.56 -0.00 -1.26 -4.96 117.00 121.11 1g9l n LEU 3 Ca 0.16 -4.67 -0.08 0.00 -0.00 0.00 0.00 56.01 51.42 1g9l n LEU 3 Cb 0.43 -1.09 0.01 0.00 -0.00 0.00 0.00 43.42 42.77 1g9l n LEU 3 CO 0.62 1.73 0.08 0.61 -0.00 0.00 0.00 177.39 180.43 1g9l n GLY 4 N -0.35 2.43 3.86 1.47 0.00 -1.26 -5.12 105.19 106.23 1g9l n GLY 4 Ca 0.54 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1g9l n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g9l s SER 5 N -2.25 5.86 -0.07 1.61 0.15 -1.26 -5.00 113.70 112.74 1g9l s SER 5 Ca 0.17 1.36 -0.30 0.00 0.70 0.00 0.00 55.95 57.89 1g9l s SER 5 Cb -0.01 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1g9l s SER 5 CO 0.11 -1.10 1.31 0.00 1.20 0.00 0.00 173.24 174.76 1g9l s ALA 6 N -3.21 3.58 0.00 5.45 0.00 -1.26 -4.82 121.76 121.50 1g9l s ALA 6 Ca 0.56 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1g9l s ALA 6 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1g9l s ALA 6 CO 0.54 -0.97 0.56 0.00 0.00 0.00 0.00 175.76 175.88 1g9l n ALA 7 N 5.78 1.79 -0.95 0.00 0.00 -1.26 -4.88 120.51 120.99 1g9l n ALA 7 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1g9l n ALA 7 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 8 N 0.00 0.97 -0.08 0.00 0.00 -1.26 -4.96 120.51 115.18 1g9l n ALA 8 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1g9l n ALA 8 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 9 N -0.02 2.92 -2.76 0.00 0.00 -1.26 -3.43 120.51 115.96 1g9l n ALA 9 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1g9l n ALA 9 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 1g9l n ALA 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g9l n THR 10 N -2.39-10.96 -2.14 0.00 -1.04 -1.26 -4.85 114.28 91.64 1g9l n THR 10 Ca 0.00 1.79 -0.43 0.00 -2.04 0.00 0.00 64.05 63.38 1g9l n THR 10 Cb 0.00 -6.43 -0.02 0.00 -1.82 0.00 0.00 70.33 62.06 1g9l n THR 10 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1g9l s PRO 11 N -1.45 3.52 -0.16 -2.82 0.04 -1.26 -4.89 135.00 127.99 1g9l s PRO 11 Ca -0.03 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 1g9l s PRO 11 Cb 0.00 -4.10 -0.24 0.00 0.04 0.00 0.00 34.50 30.20 1g9l s PRO 11 CO 0.69 -1.63 0.62 0.00 0.04 0.00 0.00 177.00 176.73 1g9l h ALA 12 N 11.65 0.07 -2.23 8.56 0.00 -2.02 -3.47 119.26 131.82 1g9l h ALA 12 Ca -0.32 -0.69 -0.48 0.00 0.00 0.00 0.00 54.91 53.42 1g9l h ALA 12 Cb 1.14 0.20 0.04 0.00 0.00 0.00 0.00 17.79 19.17 1g9l h ALA 12 CO 1.04 0.19 0.04 0.14 0.00 0.00 0.00 179.25 180.66 1g9l s VAL 13 N -2.26 4.33 -0.09 0.00 -7.23 -1.26 -5.03 120.40 108.86 1g9l s VAL 13 Ca -0.22 -0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 1g9l s VAL 13 Cb -0.01 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1g9l s VAL 13 CO 0.67 -0.57 1.29 -0.60 -0.31 0.00 0.00 175.10 175.57 1g9l s ARG 14 N -4.71 4.28 -0.22 4.82 6.06 -1.26 -5.00 118.95 122.92 1g9l s ARG 14 Ca 0.49 1.75 -0.20 0.00 -2.50 0.00 0.00 55.73 55.26 1g9l s ARG 14 Cb -0.10 -3.67 -0.03 0.00 0.06 0.00 0.00 34.95 31.21 1g9l s ARG 14 CO 0.42 -0.60 0.59 0.95 -2.50 0.00 0.00 175.30 174.16 1g9l s THR 15 N 2.89 5.04 -0.14 4.11 -4.23 -1.26 -5.06 115.64 116.99 1g9l s THR 15 Ca 0.58 1.08 -0.16 0.00 -1.18 0.00 0.00 61.69 62.01 1g9l s THR 15 Cb -0.25 -3.90 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 1g9l s THR 15 CO 0.20 0.10 0.38 -0.69 -0.54 0.00 0.00 174.62 174.07 1g9l s VAL 16 N 2.04 5.25 1.24 2.29 1.01 -1.26 -5.09 120.40 125.88 1g9l s VAL 16 Ca 0.26 0.74 -0.21 0.00 0.00 0.00 0.00 61.98 62.77 1g9l s VAL 16 Cb -0.16 -3.72 0.31 0.00 0.00 0.00 0.00 36.38 32.82 1g9l s VAL 16 CO 0.10 0.36 0.95 -0.81 0.00 0.00 0.00 175.10 175.70 1g9l n PRO 17 N 3.59 -3.65 -2.57 2.72 -0.04 -1.26 -4.97 135.00 128.82 1g9l n PRO 17 Ca -0.10 -1.54 -0.41 0.00 -0.04 0.00 0.00 63.50 61.41 1g9l n PRO 17 Cb 0.52 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 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 -5.19 4.61 0.00 0.54 -0.21 -1.26 -5.05 119.66 113.10 1g9l s GLN 18 Ca 0.65 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.67 1g9l s GLN 18 Cb -0.08 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.62 1g9l s GLN 18 CO 0.52 0.09 0.00 0.98 -2.12 0.00 0.00 175.29 174.76 1g9l n TYR 19 N 2.61 0.00 -0.17 0.91 9.36 -1.26 -5.06 117.16 123.55 1g9l n TYR 19 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1g9l n TYR 19 Cb 0.47 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 1g9l n TYR 19 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1g9l n LYS 20 N 0.00 0.52 -1.74 2.98 2.85 -1.26 -4.82 118.16 116.70 1g9l n LYS 20 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 1g9l n LYS 20 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 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 -0.27 1.31 0.00 5.58 2.02 -1.26 -4.93 117.35 119.80 1g9l s TYR 21 Ca 0.00 1.34 0.00 0.00 -0.37 0.00 0.00 57.07 58.04 1g9l s TYR 21 Cb 0.00 -3.74 0.00 0.00 -0.40 0.00 0.00 41.96 37.82 1g9l s TYR 21 CO 0.00 -2.23 0.00 0.00 -1.57 0.00 0.00 175.55 171.75 1g9l n ALA 22 N 15.36 0.00 -1.86 3.71 0.00 -1.26 -5.11 120.51 131.36 1g9l n ALA 22 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1g9l n ALA 22 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 23 N -2.31 2.69 -1.28 0.00 0.00 -1.26 -4.97 121.76 114.63 1g9l s ALA 23 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 1g9l s ALA 23 Cb 0.00 -3.00 0.16 0.00 0.00 0.00 0.00 23.12 20.28 1g9l s ALA 23 CO 0.00 -1.47 1.95 0.41 0.00 0.00 0.00 175.76 176.65 1g9l n GLY 24 N -3.06 4.86 3.24 0.00 0.00 -1.26 -4.87 105.19 104.10 1g9l n GLY 24 Ca 0.07 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 1g9l n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g9l n VAL 25 N 3.00 4.74 -2.23 1.61 0.24 -1.26 -5.04 118.33 119.39 1g9l n VAL 25 Ca 0.43 -5.53 -0.41 0.00 -2.04 0.00 0.00 64.34 56.79 1g9l n VAL 25 Cb 0.34 -2.44 -0.03 0.00 -1.47 0.00 0.00 33.84 30.24 1g9l n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g9l s ARG 26 N -1.72 4.43 -0.07 7.34 1.04 -1.26 -4.97 118.95 123.73 1g9l s ARG 26 Ca 0.31 2.06 -0.27 0.00 -1.04 0.00 0.00 55.73 56.79 1g9l s ARG 26 Cb -0.06 -3.15 -0.23 0.00 -2.04 0.00 0.00 34.95 29.48 1g9l s ARG 26 CO -0.03 -0.14 1.06 -0.91 -0.04 0.00 0.00 175.30 175.24 1g9l h ASN 27 N 4.34 0.02 0.07 -2.89 2.35 -2.03 -3.48 115.58 113.95 1g9l h ASN 27 Ca -0.47 -0.70 -0.30 0.00 -0.55 0.00 0.00 56.30 54.28 1g9l h ASN 27 Cb 1.22 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 1g9l h ASN 27 CO 0.71 0.72 -1.65 -0.81 -1.65 0.00 0.00 177.43 174.75 1g9l n PRO 28 N -4.74 0.67 -2.75 0.81 -0.04 -1.26 -5.03 135.00 122.67 1g9l n PRO 28 Ca -0.09 0.41 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 1g9l n PRO 28 Cb 0.36 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1g9l n PRO 28 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1g9l s GLN 29 N -2.46 4.81 0.86 0.54 0.74 -1.26 -5.05 119.66 117.85 1g9l s GLN 29 Ca -0.26 1.48 -0.11 0.00 0.05 0.00 0.00 55.36 56.52 1g9l s GLN 29 Cb 0.06 -3.21 0.11 0.00 1.10 0.00 0.00 33.01 31.08 1g9l s GLN 29 CO 0.68 0.48 1.09 -0.65 -0.55 0.00 0.00 175.29 176.34 1g9l s GLN 30 N -1.32 1.52 -0.37 1.67 -0.21 -1.26 -5.00 119.66 114.69 1g9l s GLN 30 Ca 0.42 0.78 0.08 0.00 0.02 0.00 0.00 55.36 56.66 1g9l s GLN 30 Cb -0.25 -1.84 0.44 0.00 1.00 0.00 0.00 33.01 32.36 1g9l s GLN 30 CO 0.31 -2.05 1.12 1.58 -2.12 0.00 0.00 175.29 174.13 1g9l n HIS 31 N -3.75 2.88 0.39 0.91 -0.00 -1.26 -4.71 115.22 109.69 1g9l n HIS 31 Ca 0.07 -2.77 0.11 0.00 0.46 0.00 0.00 57.72 55.59 1g9l n HIS 31 Cb 0.55 -0.19 -0.09 0.00 -0.12 0.00 0.00 29.99 30.14 1g9l n HIS 31 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 1g9l n LEU 32 N -0.51 0.46 0.00 0.27 -0.00 -1.26 -4.96 117.00 111.00 1g9l n LEU 32 Ca 0.36 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 1g9l n LEU 32 Cb 0.77 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.16 1g9l n LEU 32 CO 0.33 0.06 0.00 0.59 -0.00 0.00 0.00 177.39 178.37 1g9l n ASN 33 N -2.03 0.00 -2.71 1.45 3.02 -1.26 -4.65 115.26 109.08 1g9l n ASN 33 Ca -0.00 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1g9l n ASN 33 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 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 -3.00 0.00 -0.10 5.41 0.00 -1.22 -4.97 120.51 116.63 1g9l n ALA 34 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1g9l n ALA 34 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1g9l n ALA 34 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1g9l n GLN 35 N -1.09 0.56 -0.28 0.00 -0.06 -1.26 -5.01 117.38 110.23 1g9l n GLN 35 Ca 0.00 0.55 0.00 0.00 -2.00 0.00 0.00 57.00 55.55 1g9l n GLN 35 Cb 0.00 -1.72 0.00 0.00 -4.06 0.00 0.00 30.24 24.46 1g9l n GLN 35 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1g9l n PRO 36 N -4.44 1.75 -2.25 3.69 -0.04 -1.26 -5.09 135.00 127.37 1g9l n PRO 36 Ca -0.32 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 1g9l n PRO 36 Cb 0.66 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.09 1g9l n PRO 36 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1g9l s GLN 37 N 0.39 4.31 -0.96 0.54 0.74 -1.26 -4.93 119.66 118.48 1g9l s GLN 37 Ca 0.00 1.95 -0.24 0.00 0.05 0.00 0.00 55.36 57.12 1g9l s GLN 37 Cb 0.00 -3.48 0.02 0.00 1.10 0.00 0.00 33.01 30.64 1g9l s GLN 37 CO 0.00 -0.51 1.61 0.08 -0.55 0.00 0.00 175.29 175.92 1g9l s VAL 38 N 1.99 3.75 -0.47 1.34 1.01 -1.26 -4.94 120.40 121.82 1g9l s VAL 38 Ca 0.63 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1g9l s VAL 38 Cb -0.32 -4.69 0.09 0.00 0.00 0.00 0.00 36.38 31.46 1g9l s VAL 38 CO 0.27 -1.60 0.38 -0.89 0.00 0.00 0.00 175.10 173.26 1g9l s THR 39 N 6.73 4.81 0.00 3.92 2.01 -1.26 -4.98 115.64 126.86 1g9l s THR 39 Ca 0.54 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1g9l s THR 39 Cb -0.03 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1g9l s THR 39 CO -0.05 -0.66 0.00 0.80 -0.69 0.00 0.00 174.62 174.02 1g9l n MET 40 N 5.09 0.00 -1.78 4.92 1.56 -1.26 -4.83 117.12 120.82 1g9l n MET 40 Ca -0.11 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 56.89 1g9l n MET 40 Cb 0.42 -0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.76 1g9l n MET 40 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1g9l s GLN 41 N 0.00 3.49 0.51 2.12 -1.52 -1.26 -4.95 119.66 118.06 1g9l s GLN 41 Ca 0.00 1.98 -0.22 0.00 -1.95 0.00 0.00 55.36 55.17 1g9l s GLN 41 Cb 0.00 -4.24 -0.06 0.00 -0.22 0.00 0.00 33.01 28.50 1g9l s GLN 41 CO 0.00 -1.68 1.27 -0.65 -0.25 0.00 0.00 175.29 173.98 1g9l s GLN 42 N 5.53 3.39 -1.00 2.91 -0.21 -1.26 -4.88 119.66 124.14 1g9l s GLN 42 Ca 0.89 2.01 -0.24 0.00 0.02 0.00 0.00 55.36 58.04 1g9l s GLN 42 Cb -0.32 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 31.34 1g9l s GLN 42 CO 0.35 -0.92 1.92 -1.25 -2.12 0.00 0.00 175.29 173.27 1g9l s PRO 43 N -2.85 2.60 0.37 2.91 0.04 -1.26 -4.95 135.00 131.85 1g9l s PRO 43 Ca 0.69 -0.63 -0.25 0.00 0.04 0.00 0.00 61.00 60.85 1g9l s PRO 43 Cb -0.35 -5.14 -0.10 0.00 0.04 0.00 0.00 34.50 28.96 1g9l s PRO 43 CO 0.41 -3.52 1.00 0.00 0.04 0.00 0.00 177.00 174.93 1g9l s ALA 44 N 10.11 3.14 -1.08 8.56 0.00 -1.26 -5.00 121.76 136.23 1g9l s ALA 44 Ca 0.68 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 53.15 1g9l s ALA 44 Cb -0.04 -3.23 0.26 0.00 0.00 0.00 0.00 23.12 20.11 1g9l s ALA 44 CO 0.04 -0.02 1.10 0.08 0.00 0.00 0.00 175.76 176.95 1g9l s VAL 45 N -1.68 5.83 -1.78 0.00 1.01 -1.26 -4.72 120.40 117.80 1g9l s VAL 45 Ca 0.55 -3.18 0.14 0.00 0.00 0.00 0.00 61.98 59.49 1g9l s VAL 45 Cb -0.20 -4.63 0.13 0.00 0.00 0.00 0.00 36.38 31.69 1g9l s VAL 45 CO 0.25 -1.22 0.98 0.00 0.00 0.00 0.00 175.10 175.11 1g9l n HIS 46 N 3.27 0.03 -3.94 5.22 1.44 -1.26 -4.99 115.22 114.98 1g9l n HIS 46 Ca 0.24 -0.03 -0.25 0.00 -2.01 0.00 0.00 57.72 55.67 1g9l n HIS 46 Cb 0.41 -0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 1g9l n HIS 46 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1g9l s VAL 47 N -1.20 5.31 -0.31 0.61 -7.23 -1.26 -5.00 120.40 111.32 1g9l s VAL 47 Ca 0.18 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1g9l s VAL 47 Cb 0.12 -3.76 0.31 0.00 0.56 0.00 0.00 36.38 33.61 1g9l s VAL 47 CO 0.18 -0.14 1.77 0.00 -0.31 0.00 0.00 175.10 176.61 1g9l n GLN 48 N -0.71 1.83 0.09 4.82 1.13 -1.26 -4.34 117.38 118.94 1g9l n GLN 48 Ca -0.07 -1.77 -0.06 0.00 -1.94 0.00 0.00 57.00 53.16 1g9l n GLN 48 Cb 0.55 -1.69 -0.01 0.00 0.11 0.00 0.00 30.24 29.19 1g9l n GLN 48 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1g9l h GLY 49 N 2.38 0.05 -4.69 1.08 0.00 -1.99 -3.45 103.07 96.44 1g9l h GLY 49 Ca 0.35 -0.09 -0.64 0.00 0.00 0.00 0.00 47.33 46.95 1g9l h GLY 49 CO 0.76 0.08 -0.61 1.20 0.00 0.00 0.00 176.54 177.98 1g9l s GLN 50 N -3.06 2.87 -0.05 4.80 -0.21 -1.26 -5.08 119.66 117.66 1g9l s GLN 50 Ca -0.01 -0.67 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 1g9l s GLN 50 Cb 0.11 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 1g9l s GLN 50 CO 0.81 0.58 1.30 -1.21 -2.12 0.00 0.00 175.29 174.65 1g9l s GLU 51 N -2.23 4.31 0.64 2.91 0.41 -1.26 -5.00 118.70 118.47 1g9l s GLU 51 Ca 0.27 1.80 -0.18 0.00 -0.41 0.00 0.00 54.97 56.46 1g9l s GLU 51 Cb -0.12 -3.60 -0.02 0.00 -1.78 0.00 0.00 34.13 28.61 1g9l s GLU 51 CO 0.20 -0.54 1.26 -2.14 -0.49 0.00 0.00 175.26 173.54 1g9l s PRO 52 N 2.49 2.66 0.21 0.39 0.02 -1.26 -4.96 135.00 134.55 1g9l s PRO 52 Ca 0.59 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 1g9l s PRO 52 Cb -0.27 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 1g9l s PRO 52 CO 0.23 -1.48 1.21 -1.17 -0.33 0.00 0.00 177.00 175.46 1g9l s LEU 53 N -4.33 4.46 0.00 -5.54 1.98 -1.26 -4.76 118.68 109.23 1g9l s LEU 53 Ca 0.80 2.29 -0.20 0.00 -2.89 0.00 0.00 54.13 54.13 1g9l s LEU 53 Cb -0.34 -3.61 0.07 0.00 0.66 0.00 0.00 46.19 42.96 1g9l s LEU 53 CO 0.38 -0.37 0.95 0.41 -1.89 0.00 0.00 176.35 175.83 1g9l n THR 54 N 2.23 0.00 -0.33 3.68 -1.04 -1.26 -4.88 114.28 112.68 1g9l n THR 54 Ca 0.04 -0.31 0.17 0.00 -2.04 0.00 0.00 64.05 61.91 1g9l n THR 54 Cb 0.44 0.57 0.41 0.00 -1.82 0.00 0.00 70.33 69.93 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l h ALA 55 N 2.00 1.91 -0.08 2.41 0.00 -1.63 -0.36 119.26 123.52 1g9l h ALA 55 Ca -0.20 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1g9l h ALA 55 Cb 0.98 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1g9l h ALA 55 CO 0.28 -0.30 0.02 0.77 0.00 0.00 0.00 179.25 180.02 1g9l h SER 56 N 0.59 0.12 -0.99 0.00 0.02 -1.86 -0.75 113.55 110.67 1g9l h SER 56 Ca 0.58 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.37 1g9l h SER 56 Cb 1.16 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.61 1g9l h SER 56 CO -0.35 0.29 0.64 0.24 -1.14 0.00 0.00 176.83 176.51 1g9l h MET 57 N -0.06 1.18 -0.38 3.45 2.07 -1.43 -1.92 114.93 117.84 1g9l h MET 57 Ca 0.03 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 1g9l h MET 57 Cb 0.22 -0.27 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 1g9l h MET 57 CO -0.00 0.78 0.11 -0.07 1.07 0.00 0.00 176.91 178.80 1g9l h LEU 58 N 1.21 0.55 0.00 1.22 3.38 -0.94 -1.55 115.31 119.18 1g9l h LEU 58 Ca 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1g9l h LEU 58 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1g9l h LEU 58 CO -0.14 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1g9l n ALA 59 N -2.32 1.62 1.39 1.53 0.00 -0.31 -1.49 120.51 120.93 1g9l n ALA 59 Ca -0.01 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1g9l n ALA 59 Cb 0.18 -1.19 0.63 0.00 0.00 0.00 0.00 19.45 19.07 1g9l n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g9l n SER 60 N -1.38 0.37 -2.94 0.00 2.88 -0.58 -4.05 113.62 107.91 1g9l n SER 60 Ca 0.04 -0.45 -0.19 0.00 -1.33 0.00 0.00 58.87 56.94 1g9l n SER 60 Cb 0.11 -0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.05 3.27 0.02 -1.46 0.00 -0.55 -4.97 120.51 115.77 1g9l n ALA 61 Ca 0.14 -3.76 -0.10 0.00 0.00 0.00 0.00 53.44 49.72 1g9l n ALA 61 Cb 0.27 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1g9l h PRO 62 N 2.95 -0.25 -0.73 0.00 0.11 -1.73 0.25 132.00 132.60 1g9l h PRO 62 Ca 0.09 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 1g9l h PRO 62 Cb 0.90 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 1g9l h PRO 62 CO 0.61 -0.17 0.10 -0.35 -0.21 0.00 0.00 178.00 177.99 1g9l n PRO 63 N -5.32 3.77 0.00 1.05 -0.04 -1.26 -4.37 135.00 128.83 1g9l n PRO 63 Ca -0.04 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1g9l n PRO 63 Cb 0.24 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 0.25 0.00 -1.41 0.54 6.02 -0.94 -4.97 117.38 116.87 1g9l n GLN 64 Ca 0.28 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.97 1g9l n GLN 64 Cb 1.11 0.00 0.09 0.00 1.02 0.00 0.00 30.24 32.46 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1g9l n GLU 65 N 0.00 2.75 0.17 -1.09 -0.58 -1.09 -4.58 120.64 116.22 1g9l n GLU 65 Ca 0.00 -3.41 0.02 0.00 -0.42 0.00 0.00 57.16 53.35 1g9l n GLU 65 Cb 0.00 -2.24 0.37 0.00 -0.57 0.00 0.00 31.44 28.99 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 1.84 0.07 -0.61 3.49 4.15 -0.73 -3.01 115.11 120.32 1g9l h GLN 66 Ca 0.54 -0.02 -0.40 0.00 0.77 0.00 0.00 58.65 59.54 1g9l h GLN 66 Cb 1.26 -0.01 -0.42 0.00 0.21 0.00 0.00 27.48 28.53 1g9l h GLN 66 CO 1.30 0.38 -0.97 1.63 -1.93 0.00 0.00 178.83 179.24 1g9l n LYS 67 N -4.15 2.67 0.04 1.69 5.02 -1.26 -4.79 118.16 117.37 1g9l n LYS 67 Ca -0.02 -3.84 0.00 0.00 -2.02 0.00 0.00 58.31 52.43 1g9l n LYS 67 Cb 0.37 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 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 -0.65 0.00 -0.02 1.97 7.27 -1.18 -4.87 117.38 119.90 1g9l n GLN 68 Ca 0.26 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.39 1g9l n GLN 68 Cb 0.88 -0.05 0.32 0.00 2.41 0.00 0.00 30.24 33.81 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g9l n MET 69 N -2.81 1.14 0.41 3.69 0.00 -1.14 -3.76 117.12 114.65 1g9l n MET 69 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 57.70 57.32 1g9l n MET 69 Cb 0.04 -1.21 -0.08 0.00 0.00 0.00 0.00 33.22 31.97 1g9l n MET 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1g9l h LEU 70 N 0.38 -0.89 -3.31 3.17 -0.00 -1.87 -3.05 115.31 109.73 1g9l h LEU 70 Ca 0.00 0.02 -0.20 0.00 -0.00 0.00 0.00 57.88 57.69 1g9l h LEU 70 Cb 0.08 0.23 -0.14 0.00 -0.00 0.00 0.00 40.66 40.84 1g9l h LEU 70 CO 0.00 -0.56 -0.38 0.61 -0.00 0.00 0.00 178.44 178.11 1g9l n GLY 71 N -1.11 5.37 0.00 0.83 0.00 -1.26 -4.20 105.19 104.82 1g9l n GLY 71 Ca -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1g9l n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g9l n GLU 72 N -1.03 0.00 0.00 1.61 1.02 -1.25 -3.70 120.64 117.29 1g9l n GLU 72 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1g9l n GLU 72 Cb 0.86 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 2.29 0.21 3.49 0.00 -1.15 -4.68 116.66 116.81 1g9l n ARG 73 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.94 1g9l n ARG 73 Cb 0.22 -0.82 0.27 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 0.00 -0.99 6.15 3.38 -1.73 -3.36 115.31 118.76 1g9l h LEU 74 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1g9l h LEU 74 Cb 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.79 1g9l h LEU 74 CO 0.00 0.20 -0.43 0.15 0.09 0.00 0.00 178.44 178.45 1g9l h PHE 75 N 0.00 -1.25 0.00 1.13 3.57 -1.87 0.85 116.94 119.37 1g9l h PHE 75 Ca -0.00 0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1g9l h PHE 75 Cb 0.98 0.69 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1g9l h PHE 75 CO 0.00 -0.40 0.00 -1.00 -2.23 0.00 0.00 178.31 174.68 1g9l h PRO 76 N -0.00 0.00 0.00 6.41 0.13 -1.94 -2.95 132.00 133.65 1g9l h PRO 76 Ca 0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.41 1g9l h PRO 76 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1g9l h PRO 76 CO -0.98 0.00 -1.35 1.28 -0.23 0.00 0.00 178.00 176.72 1g9l n LEU 77 N -2.46 0.62 -0.01 1.56 4.77 0.24 -4.07 117.00 117.64 1g9l n LEU 77 Ca 0.03 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.09 1g9l n LEU 77 Cb 0.30 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1g9l n LEU 77 CO 0.24 -0.08 0.31 0.40 -1.33 0.00 0.00 177.39 176.93 1g9l h ILE 78 N 0.00 1.29 0.00 -0.08 1.08 0.22 -2.75 117.51 117.28 1g9l h ILE 78 Ca -0.04 -1.97 0.00 0.00 -0.39 0.00 0.00 64.86 62.46 1g9l h ILE 78 Cb 1.12 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.83 1g9l h ILE 78 CO 0.01 0.62 0.36 1.56 -0.69 0.00 0.00 178.15 180.00 1g9l h GLN 79 N 0.51 0.00 0.14 2.37 4.20 -1.70 0.59 115.11 121.22 1g9l h GLN 79 Ca -0.04 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.37 1g9l h GLN 79 Cb 1.36 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.16 1g9l h GLN 79 CO 0.15 0.00 -1.27 0.00 -0.67 0.00 0.00 178.83 177.04 1g9l h ALA 80 N 1.21 -0.00 -0.14 3.87 0.00 -1.68 -3.01 119.26 119.50 1g9l h ALA 80 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 1g9l h ALA 80 Cb 0.71 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1g9l h ALA 80 CO 0.00 0.72 -0.28 0.52 0.00 0.00 0.00 179.25 180.20 1g9l h MET 81 N 0.25 0.44 -6.38 0.00 2.86 0.07 -3.44 114.93 108.72 1g9l h MET 81 Ca -0.19 -0.28 -0.69 0.00 -2.06 0.00 0.00 59.70 56.47 1g9l h MET 81 Cb 1.94 0.04 -0.25 0.00 0.06 0.00 0.00 31.60 33.39 1g9l h MET 81 CO 0.24 0.89 -0.80 -1.01 1.06 0.00 0.00 176.91 177.29 1g9l s HIS 82 N -4.02 2.62 -0.67 -0.22 4.02 -0.67 -5.02 115.29 111.35 1g9l s HIS 82 Ca -0.14 -0.22 -0.15 0.00 1.02 0.00 0.00 55.06 55.57 1g9l s HIS 82 Cb 0.05 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.58 29.86 1g9l s HIS 82 CO 0.79 0.14 1.79 -2.30 1.02 0.00 0.00 174.74 176.18 1g9l n PRO 83 N 2.34 0.12 -4.37 8.40 -0.02 -1.26 -2.78 135.00 137.43 1g9l n PRO 83 Ca -0.17 -0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 60.15 1g9l n PRO 83 Cb 0.52 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 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 7.03 -0.56 0.40 3.45 -2.24 -1.14 -4.80 114.28 116.42 1g9l n THR 84 Ca 0.32 -0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.21 1g9l n THR 84 Cb 0.43 -1.15 0.26 0.00 -2.10 0.00 0.00 70.33 67.76 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 -4.24 3.11 -2.86 3.22 4.77 -1.12 -4.61 117.00 115.28 1g9l n LEU 85 Ca 0.10 -1.40 -0.30 0.00 -0.03 0.00 0.00 56.01 54.38 1g9l n LEU 85 Cb 0.47 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1g9l n LEU 85 CO 0.91 0.70 2.69 0.00 -1.33 0.00 0.00 177.39 180.36 1g9l n ALA 86 N 1.24 7.10 1.09 -1.18 0.00 -1.26 -4.35 120.51 123.16 1g9l n ALA 86 Ca 0.19 -2.98 0.13 0.00 0.00 0.00 0.00 53.44 50.78 1g9l n ALA 86 Cb 0.54 -2.94 0.41 0.00 0.00 0.00 0.00 19.45 17.45 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 3.00 -1.18 0.76 0.00 0.00 -1.26 -4.48 105.19 102.03 1g9l n GLY 87 Ca 0.65 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.31 0.03 0.00 1.61 3.00 -1.26 -5.05 118.16 115.18 1g9l n LYS 88 Ca 0.08 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1g9l n LYS 88 Cb 0.33 0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.78 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1g9l n ILE 89 N -0.03 0.00 -0.30 3.15 5.41 -1.26 -3.44 119.36 122.89 1g9l n ILE 89 Ca -0.03 0.01 0.08 0.00 1.00 0.00 0.00 62.75 63.81 1g9l n ILE 89 Cb 0.35 -0.03 0.24 0.00 -0.71 0.00 0.00 39.64 39.49 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 0.70 -0.58 1.39 2.02 -1.92 0.53 112.91 115.04 1g9l h THR 90 Ca 0.00 -0.21 0.16 0.00 0.77 0.00 0.00 66.41 67.13 1g9l h THR 90 Cb 0.00 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 1g9l h THR 90 CO 0.00 0.11 0.41 1.23 0.37 0.00 0.00 175.52 177.64 1g9l h GLY 91 N 0.60 0.11 1.62 2.16 0.00 -1.79 0.40 103.07 106.16 1g9l h GLY 91 Ca 0.48 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.70 1g9l h GLY 91 CO -0.38 0.01 -0.70 1.98 0.00 0.00 0.00 176.54 177.45 1g9l h MET 92 N 0.06 0.00 0.00 4.80 1.85 -0.03 -3.22 114.93 118.40 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 1.02 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.05 1g9l h MET 92 CO -0.02 0.29 0.00 1.28 -0.40 0.00 0.00 176.91 178.06 1g9l n LEU 93 N -3.05 0.07 -1.66 3.39 7.99 0.14 0.88 117.00 124.76 1g9l n LEU 93 Ca -0.01 0.53 -0.09 0.00 -0.01 0.00 0.00 56.01 56.44 1g9l n LEU 93 Cb 0.70 -0.54 0.23 0.00 -0.11 0.00 0.00 43.42 43.70 1g9l n LEU 93 CO 0.40 -0.54 0.96 0.18 -1.51 0.00 0.00 177.39 176.88 1g9l n LEU 94 N -1.60 5.38 0.00 2.23 4.32 -1.19 -3.76 117.00 122.39 1g9l n LEU 94 Ca 0.00 -3.49 0.00 0.00 -0.02 0.00 0.00 56.01 52.50 1g9l n LEU 94 Cb 0.02 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 1g9l n LEU 94 CO 0.02 1.01 0.00 -1.84 -1.22 0.00 0.00 177.39 175.36 1g9l n GLU 95 N -0.81 0.00 0.00 3.23 0.28 0.25 -5.09 120.64 118.51 1g9l n GLU 95 Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1g9l n GLU 95 Cb 1.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.17 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 0.23 -4.63 119.36 118.80 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 0.17 -0.02 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 2.03 -1.26 -4.75 116.55 119.85 1g9l n ASP 97 Ca 0.00 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1g9l n ASP 97 Cb 0.00 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 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 -1.30 0.00 0.19 1.67 6.94 -1.26 -4.68 115.26 116.82 1g9l n ASN 98 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 1g9l n ASN 98 Cb 0.10 0.00 0.38 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.41 0.53 0.02 -1.97 -1.74 113.55 110.81 1g9l h SER 99 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1g9l h SER 99 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1g9l h SER 99 CO 0.00 0.36 -0.93 -0.33 -1.14 0.00 0.00 176.83 174.79 1g9l h GLU 100 N 0.00 0.35 -0.01 3.45 3.07 -1.91 -1.06 114.58 118.47 1g9l h GLU 100 Ca -0.00 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.42 1g9l h GLU 100 Cb 0.68 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1g9l h GLU 100 CO 0.05 1.07 -0.22 1.25 -1.40 0.00 0.00 179.01 179.75 1g9l h LEU 101 N 0.19 0.02 0.05 1.33 5.85 -1.51 0.22 115.31 121.46 1g9l h LEU 101 Ca -0.07 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 1g9l h LEU 101 Cb 1.57 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1g9l h LEU 101 CO 0.16 0.24 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.80 1g9l h LEU 102 N 0.02 0.17 -0.55 2.25 4.07 -1.23 -3.32 115.31 116.72 1g9l h LEU 102 Ca 0.00 -0.88 -0.06 0.00 0.08 0.00 0.00 57.88 57.02 1g9l h LEU 102 Cb 0.41 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1g9l h LEU 102 CO 0.03 1.27 0.12 -0.74 -1.08 0.00 0.00 178.44 178.04 1g9l h HIS 103 N -0.75 0.94 -0.69 1.13 2.76 -1.11 -2.56 115.15 114.88 1g9l h HIS 103 Ca -0.14 -0.12 0.10 0.00 -2.20 0.00 0.00 60.37 58.01 1g9l h HIS 103 Cb 1.32 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.97 1g9l h HIS 103 CO 0.21 0.82 0.46 0.00 -1.30 0.00 0.00 177.93 178.11 1g9l h MET 104 N 0.79 0.53 0.00 5.26 -0.00 -1.11 0.29 114.93 120.68 1g9l h MET 104 Ca 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 1g9l h MET 104 Cb 0.36 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1g9l h MET 104 CO 0.00 0.35 -0.32 1.28 -0.00 0.00 0.00 176.91 178.22 1g9l n LEU 105 N -4.48 0.39 -0.26 -0.10 4.77 -1.09 -2.88 117.00 113.34 1g9l n LEU 105 Ca 0.11 0.24 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 1g9l n LEU 105 Cb 0.36 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1g9l n LEU 105 CO 0.33 0.04 0.22 -1.84 -1.33 0.00 0.00 177.39 174.81 1g9l n GLU 106 N -1.64 2.00 -3.78 3.23 0.28 0.41 -4.73 120.64 116.41 1g9l n GLU 106 Ca 0.06 -0.65 -0.13 0.00 -0.16 0.00 0.00 57.16 56.28 1g9l n GLU 106 Cb 0.36 -1.14 -0.14 0.00 1.43 0.00 0.00 31.44 31.95 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 -1.53 -0.12 0.00 -1.84 0.15 0.74 -5.01 113.70 106.09 1g9l s SER 107 Ca 0.10 0.29 0.15 0.00 0.70 0.00 0.00 55.95 57.19 1g9l s SER 107 Cb 0.09 0.22 0.91 0.00 -1.71 0.00 0.00 66.02 65.53 1g9l s SER 107 CO 0.30 -0.11 1.33 -2.65 1.20 0.00 0.00 173.24 173.31 1g9l n PRO 108 N 3.79 0.54 0.00 5.44 -0.02 -1.26 -2.00 135.00 141.48 1g9l n PRO 108 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1g9l n PRO 108 Cb 0.54 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 4.55 0.02 -0.52 1.02 -1.26 -4.68 120.64 118.82 1g9l n GLU 109 Ca 0.11 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.07 1g9l n GLU 109 Cb 0.05 -0.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.91 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1g9l h SER 110 N 0.00 0.45 -0.93 1.62 0.02 -1.65 0.19 113.55 113.25 1g9l h SER 110 Ca 0.00 -0.87 0.23 0.00 -0.84 0.00 0.00 61.79 60.32 1g9l h SER 110 Cb 0.00 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.27 1g9l h SER 110 CO 0.00 1.27 0.45 0.25 -1.14 0.00 0.00 176.83 177.66 1g9l h LEU 111 N -0.31 0.41 0.00 5.07 7.12 -1.58 0.41 115.31 126.44 1g9l h LEU 111 Ca -0.10 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1g9l h LEU 111 Cb 1.43 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1g9l h LEU 111 CO 0.12 0.01 -0.03 -0.09 -0.13 0.00 0.00 178.44 178.32 1g9l h ARG 112 N 0.43 0.00 -0.40 1.25 2.43 -1.82 -2.95 114.38 113.32 1g9l h ARG 112 Ca 0.59 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.85 1g9l h ARG 112 Cb 1.15 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.61 1g9l h ARG 112 CO -0.53 0.00 -0.27 0.77 -1.51 0.00 0.00 179.97 178.43 1g9l h SER 113 N -0.89 -0.90 0.03 -3.80 0.02 -0.39 0.27 113.55 107.89 1g9l h SER 113 Ca 0.00 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1g9l h SER 113 Cb 0.03 0.45 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1g9l h SER 113 CO 0.00 -0.28 -0.03 0.11 -1.14 0.00 0.00 176.83 175.49 1g9l h LYS 114 N -0.20 0.00 0.25 3.45 1.79 -0.36 -0.39 116.57 121.12 1g9l h LYS 114 Ca 0.19 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1g9l h LYS 114 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1g9l h LYS 114 CO -0.52 0.03 -0.12 0.28 -1.08 0.00 0.00 179.45 178.04 1g9l h VAL 115 N 0.00 0.59 -0.82 0.50 2.07 -0.43 0.22 116.25 118.38 1g9l h VAL 115 Ca -0.00 -0.91 0.15 0.00 0.82 0.00 0.00 66.70 66.77 1g9l h VAL 115 Cb 0.05 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1g9l h VAL 115 CO 0.00 0.14 0.54 -0.78 0.02 0.00 0.00 177.57 177.50 1g9l h ASP 116 N -0.93 0.48 -0.01 0.57 3.58 -0.47 0.25 116.42 119.90 1g9l h ASP 116 Ca -0.03 0.03 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1g9l h ASP 116 Cb 0.49 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.49 1g9l h ASP 116 CO 0.06 0.24 -0.85 -0.08 -2.88 0.00 0.00 179.24 175.72 1g9l h GLU 117 N 0.51 0.69 0.00 0.28 4.81 -1.07 -2.88 114.58 116.91 1g9l h GLU 117 Ca 0.41 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1g9l h GLU 117 Cb 0.85 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1g9l h GLU 117 CO -0.16 1.22 -0.03 0.00 -0.73 0.00 0.00 179.01 179.32 1g9l h ALA 118 N 0.59 1.21 -0.05 2.92 0.00 0.26 -1.38 119.26 122.81 1g9l h ALA 118 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1g9l h ALA 118 Cb 1.48 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1g9l h ALA 118 CO 0.17 0.04 -0.02 0.28 0.00 0.00 0.00 179.25 179.71 1g9l h VAL 119 N 0.00 1.33 -0.04 0.00 2.07 -0.65 1.00 116.25 119.97 1g9l h VAL 119 Ca -0.00 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1g9l h VAL 119 Cb 0.14 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1g9l h VAL 119 CO 0.00 0.28 0.04 0.00 0.02 0.00 0.00 177.57 177.91 1g9l h ALA 120 N 0.61 1.76 0.02 1.67 0.00 -1.25 0.53 119.26 122.59 1g9l h ALA 120 Ca 0.01 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 1g9l h ALA 120 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1g9l h ALA 120 CO 0.01 -0.06 -1.30 0.28 0.00 0.00 0.00 179.25 178.18 1g9l h VAL 121 N 0.00 1.36 0.00 0.00 2.07 -0.85 -3.02 116.25 115.81 1g9l h VAL 121 Ca 0.02 -3.11 -0.20 0.00 0.82 0.00 0.00 66.70 64.23 1g9l h VAL 121 Cb 0.09 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1g9l h VAL 121 CO -0.00 0.79 -0.90 0.25 0.02 0.00 0.00 177.57 177.74 1g9l h LEU 122 N 0.01 0.32 -1.00 2.57 5.85 0.30 -0.96 115.31 122.40 1g9l h LEU 122 Ca -0.13 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 1g9l h LEU 122 Cb 1.88 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 1g9l h LEU 122 CO 0.12 1.07 -0.30 1.56 -0.34 0.00 0.00 178.44 180.55 1g9l h GLN 123 N 0.14 0.36 0.00 1.25 4.20 -0.12 -3.04 115.11 117.89 1g9l h GLN 123 Ca -0.05 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1g9l h GLN 123 Cb 1.53 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1g9l h GLN 123 CO 0.14 0.62 0.00 0.00 -0.67 0.00 0.00 178.83 178.92 1g9l n ALA 124 N -2.48 -0.02 -0.15 3.87 0.00 -1.14 -3.66 120.51 116.92 1g9l n ALA 124 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1g9l n ALA 124 Cb 0.42 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.01 0.53 0.00 0.00 -0.00 -0.37 0.88 115.22 115.25 1g9l n HIS 125 Ca 0.00 0.54 0.00 0.00 0.46 0.00 0.00 57.72 58.72 1g9l n HIS 125 Cb 0.00 -0.99 0.00 0.00 -0.12 0.00 0.00 29.99 28.88 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 -4.03 0.00 -1.01 1.57 1.13 -1.15 -4.17 117.38 109.72 1g9l n GLN 126 Ca 0.18 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.04 1g9l n GLN 126 Cb 0.61 -0.87 0.14 0.00 0.11 0.00 0.00 30.24 30.23 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 -0.57 5.08 -1.81 -1.58 0.00 -0.44 -4.86 120.51 116.33 1g9l n ALA 127 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1g9l n ALA 127 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.84 2.82 -0.36 0.00 2.85 0.25 -4.95 118.16 117.93 1g9l n LYS 128 Ca 0.49 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.77 1g9l n LYS 128 Cb 1.44 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 35.97 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1g9l n GLU 129 N 0.00 2.46 0.09 -1.58 4.71 -1.26 -4.26 120.64 120.80 1g9l n GLU 129 Ca 0.00 -1.22 0.05 0.00 -0.01 0.00 0.00 57.16 55.97 1g9l n GLU 129 Cb 0.00 -1.78 0.48 0.00 -1.01 0.00 0.00 31.44 29.12 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1g9l h ALA 130 N 2.72 1.75 -1.61 0.62 0.00 -1.87 -3.40 119.26 117.47 1g9l h ALA 130 Ca 0.01 -0.05 -0.47 0.00 0.00 0.00 0.00 54.91 54.41 1g9l h ALA 130 Cb 1.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1g9l h ALA 130 CO 0.21 0.21 1.60 0.00 0.00 0.00 0.00 179.25 181.27 1g9l s ALA 131 N -5.27 1.72 -0.49 0.00 0.00 -1.26 -4.80 121.76 111.66 1g9l s ALA 131 Ca -0.07 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1g9l s ALA 131 Cb 0.17 -4.33 0.49 0.00 0.00 0.00 0.00 23.12 19.45 1g9l s ALA 131 CO 0.72 -4.35 1.92 0.00 0.00 0.00 0.00 175.76 174.04 1g9l n GLN 132 N 9.02 2.29 -0.64 0.00 10.64 -1.26 -4.99 117.38 132.45 1g9l n GLN 132 Ca 0.35 -2.77 -0.29 0.00 -1.83 0.00 0.00 57.00 52.45 1g9l n GLN 132 Cb 0.54 -2.09 0.25 0.00 -0.86 0.00 0.00 30.24 28.09 1g9l n GLN 132 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1g9l s LYS 133 N -3.14 -1.35 0.00 2.61 1.02 -1.26 -5.05 119.74 112.57 1g9l s LYS 133 Ca 0.54 0.50 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1g9l s LYS 133 Cb 0.44 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 1g9l s LYS 133 CO 0.04 -3.92 0.00 0.00 -0.92 0.00 0.00 175.35 170.55 1g9l n ALA 134 N -5.01 0.00 -1.69 5.17 0.00 -1.26 -5.06 120.51 112.66 1g9l n ALA 134 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 1g9l n ALA 134 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 1g9l n ALA 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1g9l s VAL 135 N -0.14 3.96 0.00 0.00 -7.23 -1.26 -5.07 120.40 110.67 1g9l s VAL 135 Ca 0.00 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 1g9l s VAL 135 Cb 0.00 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1g9l s VAL 135 CO 0.00 -0.58 0.00 0.59 -0.31 0.00 0.00 175.10 174.80 1g9l n ASN 136 N -2.09 0.00 -4.43 4.85 3.02 -1.26 -4.96 115.26 110.39 1g9l n ASN 136 Ca 0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.24 1g9l n ASN 136 Cb 0.53 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.59 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1g9l s SER 137 N -1.00 5.65 0.50 6.41 0.01 -1.26 -5.08 113.70 118.93 1g9l s SER 137 Ca 0.00 -0.65 -0.19 0.00 1.31 0.00 0.00 55.95 56.42 1g9l s SER 137 Cb 0.00 -2.02 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 1g9l s SER 137 CO 0.00 -0.25 1.03 0.00 0.41 0.00 0.00 173.24 174.42 1g9l s ALA 138 N 1.61 2.88 0.25 1.44 0.00 -1.26 -5.04 121.76 121.64 1g9l s ALA 138 Ca 0.04 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 1g9l s ALA 138 Cb -0.18 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1g9l s ALA 138 CO 0.07 -0.35 0.63 -0.08 0.00 0.00 0.00 175.76 176.03 1g9l s THR 139 N -2.15 4.80 0.00 0.00 -1.32 -1.26 -5.09 115.64 110.62 1g9l s THR 139 Ca 0.65 0.77 0.00 0.00 -1.21 0.00 0.00 61.69 61.90 1g9l s THR 139 Cb -0.15 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 1g9l s THR 139 CO 0.23 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 1g9l n GLY 140 N 0.01 2.53 3.82 6.08 0.00 -1.26 -5.09 105.19 111.29 1g9l n GLY 140 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1g9l n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g9l s VAL 141 N 2.71 4.54 0.96 1.61 -7.23 -1.26 -4.29 120.40 117.44 1g9l s VAL 141 Ca 0.00 1.27 -0.15 0.00 -1.81 0.00 0.00 61.98 61.29 1g9l s VAL 141 Cb 0.00 -3.79 0.21 0.00 0.56 0.00 0.00 36.38 33.36 1g9l s VAL 141 CO 0.00 0.05 1.32 -2.16 -0.31 0.00 0.00 175.10 173.99 1g9l s PRO 142 N -2.37 0.57 -0.10 4.82 0.04 -1.26 -5.08 135.00 131.62 1g9l s PRO 142 Ca 0.49 -0.52 0.16 0.00 0.04 0.00 0.00 61.00 61.17 1g9l s PRO 142 Cb -0.14 -1.87 0.58 0.00 0.04 0.00 0.00 34.50 33.11 1g9l s PRO 142 CO 0.20 -2.44 1.50 0.25 0.04 0.00 0.00 177.00 176.54 1g9l n THR 143 N -3.75 1.71 1.02 1.26 -2.24 -1.26 -5.12 114.28 105.90 1g9l n THR 143 Ca 0.16 -1.29 0.12 0.00 -2.27 0.00 0.00 64.05 60.77 1g9l n THR 143 Cb 0.59 0.15 0.12 0.00 -2.10 0.00 0.00 70.33 69.09 1g9l n THR 143 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83