#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 0.02 0.00 1.61 -0.04 -1.26 -3.96 135.00 131.37 1g9l n PRO 2 Ca 0.00 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1g9l n PRO 2 Cb 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1g9l n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1g9l n LEU 3 N -1.57 0.04 -4.54 1.53 7.94 -1.26 -4.87 117.00 114.28 1g9l n LEU 3 Ca 0.04 0.19 -0.43 0.00 -1.11 0.00 0.00 56.01 54.70 1g9l n LEU 3 Cb 0.21 -0.48 -0.06 0.00 0.53 0.00 0.00 43.42 43.62 1g9l n LEU 3 CO 0.17 -0.48 0.43 -0.83 -1.11 0.00 0.00 177.39 175.56 1g9l s GLY 4 N -2.56 1.69 0.16 -3.96 0.00 -1.25 -5.04 107.32 96.35 1g9l s GLY 4 Ca 0.00 -1.06 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 1g9l s GLY 4 CO 0.00 1.59 0.68 -0.45 0.00 0.00 0.00 173.10 174.92 1g9l s SER 5 N 1.98 7.14 0.29 1.64 0.15 -1.26 -3.56 113.70 120.07 1g9l s SER 5 Ca 0.25 1.42 -0.26 0.00 0.70 0.00 0.00 55.95 58.06 1g9l s SER 5 Cb -0.14 -2.42 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 1g9l s SER 5 CO 0.19 0.15 0.90 0.00 1.20 0.00 0.00 173.24 175.68 1g9l s ALA 6 N -1.30 3.28 -1.12 5.45 0.00 -1.26 -4.98 121.76 121.82 1g9l s ALA 6 Ca 0.37 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 1g9l s ALA 6 Cb -0.19 -3.12 0.27 0.00 0.00 0.00 0.00 23.12 20.07 1g9l s ALA 6 CO 0.22 0.21 1.87 0.00 0.00 0.00 0.00 175.76 178.06 1g9l n ALA 7 N 0.79 5.98 -3.43 0.00 0.00 -1.26 -4.93 120.51 117.67 1g9l n ALA 7 Ca 0.00 -4.53 -0.15 0.00 0.00 0.00 0.00 53.44 48.76 1g9l n ALA 7 Cb 0.50 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 8 N -2.98 -1.56 -0.22 0.00 0.00 -1.26 -5.15 121.76 110.58 1g9l s ALA 8 Ca 0.40 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 1g9l s ALA 8 Cb 0.15 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.56 1g9l s ALA 8 CO -0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 175.76 175.14 1g9l s ALA 9 N -2.04 2.66 0.05 0.00 0.00 -1.26 -5.02 121.76 116.15 1g9l s ALA 9 Ca -0.07 -1.29 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 1g9l s ALA 9 Cb -0.01 -1.58 -0.17 0.00 0.00 0.00 0.00 23.12 21.37 1g9l s ALA 9 CO 0.02 -0.56 1.57 1.15 0.00 0.00 0.00 175.76 177.95 1g9l h THR 10 N 5.92 1.14 -2.15 0.00 2.02 -2.01 -3.43 112.91 114.40 1g9l h THR 10 Ca -0.39 -0.41 -0.60 0.00 0.77 0.00 0.00 66.41 65.77 1g9l h THR 10 Cb 1.14 1.41 0.04 0.00 -1.74 0.00 0.00 68.15 68.99 1g9l h THR 10 CO 0.60 0.11 0.95 -2.65 0.37 0.00 0.00 175.52 174.90 1g9l n PRO 11 N -5.00 2.16 0.14 6.66 -0.02 -1.26 -4.88 135.00 132.80 1g9l n PRO 11 Ca -0.07 0.78 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 1g9l n PRO 11 Cb 0.11 -2.59 0.04 0.00 -0.02 0.00 0.00 33.50 31.04 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l h ALA 12 N 7.56 0.72 -1.61 3.55 0.00 -2.05 -3.41 119.26 124.02 1g9l h ALA 12 Ca -0.47 -0.37 -0.65 0.00 0.00 0.00 0.00 54.91 53.43 1g9l h ALA 12 Cb 1.26 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1g9l h ALA 12 CO 0.92 0.47 1.00 0.08 0.00 0.00 0.00 179.25 181.71 1g9l s VAL 13 N -3.05 4.37 0.31 0.00 1.01 -1.26 -5.01 120.40 116.77 1g9l s VAL 13 Ca 0.03 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1g9l s VAL 13 Cb 0.07 -4.85 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1g9l s VAL 13 CO 0.74 -1.65 0.56 0.00 0.00 0.00 0.00 175.10 174.75 1g9l s ARG 14 N 3.74 3.58 0.32 2.72 3.03 -1.26 -5.02 118.95 126.06 1g9l s ARG 14 Ca 0.35 -0.10 -0.13 0.00 2.03 0.00 0.00 55.73 57.89 1g9l s ARG 14 Cb -0.05 -2.65 -0.08 0.00 -1.03 0.00 0.00 34.95 31.14 1g9l s ARG 14 CO -0.05 0.18 0.70 0.99 -1.13 0.00 0.00 175.30 175.99 1g9l s THR 15 N -2.18 4.77 -0.33 4.99 2.01 -1.26 -5.06 115.64 118.58 1g9l s THR 15 Ca 0.43 0.75 -0.11 0.00 0.31 0.00 0.00 61.69 63.07 1g9l s THR 15 Cb -0.10 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1g9l s THR 15 CO 0.33 -0.24 0.18 0.54 -0.69 0.00 0.00 174.62 174.74 1g9l s VAL 16 N -2.04 4.77 -0.78 3.82 0.11 -1.26 -5.04 120.40 119.98 1g9l s VAL 16 Ca 0.52 -0.44 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 1g9l s VAL 16 Cb -0.10 -3.47 0.01 0.00 -1.53 0.00 0.00 36.38 31.28 1g9l s VAL 16 CO 0.22 0.00 1.59 -2.16 -3.33 0.00 0.00 175.10 171.41 1g9l s PRO 17 N 1.63 3.01 -0.71 1.54 0.04 -1.26 -4.95 135.00 134.30 1g9l s PRO 17 Ca 0.05 -0.18 -0.20 0.00 0.04 0.00 0.00 61.00 60.71 1g9l s PRO 17 Cb -0.17 -4.62 0.10 0.00 0.04 0.00 0.00 34.50 29.85 1g9l s PRO 17 CO 0.07 -2.53 0.90 -0.65 0.04 0.00 0.00 177.00 174.84 1g9l s GLN 18 N 6.16 3.23 0.00 4.56 -0.21 -1.26 -4.86 119.66 127.29 1g9l s GLN 18 Ca 0.52 -1.31 0.25 0.00 0.02 0.00 0.00 55.36 54.84 1g9l s GLN 18 Cb -0.08 -4.42 1.52 0.00 1.00 0.00 0.00 33.01 31.03 1g9l s GLN 18 CO 0.09 -1.69 1.88 2.48 -2.12 0.00 0.00 175.29 175.94 1g9l n TYR 19 N 6.76 0.00 -2.13 0.91 0.18 -1.26 -4.43 117.16 117.19 1g9l n TYR 19 Ca 0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.37 1g9l n TYR 19 Cb 0.45 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 1g9l n TYR 19 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1g9l n LYS 20 N -0.99 3.07 -2.70 -3.48 4.76 -1.26 -4.94 118.16 112.63 1g9l n LYS 20 Ca 0.19 -2.99 -0.43 0.00 -2.87 0.00 0.00 58.31 52.22 1g9l n LYS 20 Cb 0.09 -3.30 -0.03 0.00 -1.84 0.00 0.00 35.03 29.95 1g9l n LYS 20 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1g9l s TYR 21 N 3.11 2.84 0.15 2.13 1.51 -1.26 -5.01 117.35 120.82 1g9l s TYR 21 Ca 0.48 0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 56.76 1g9l s TYR 21 Cb 0.09 -4.24 -0.07 0.00 -0.11 0.00 0.00 41.96 37.63 1g9l s TYR 21 CO -0.02 -1.23 1.18 0.00 -1.11 0.00 0.00 175.55 174.37 1g9l s ALA 22 N 4.19 3.42 1.06 3.71 0.00 -1.26 -5.04 121.76 127.84 1g9l s ALA 22 Ca 0.42 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 53.22 1g9l s ALA 22 Cb -0.09 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.72 1g9l s ALA 22 CO 0.29 -0.36 0.43 0.00 0.00 0.00 0.00 175.76 176.11 1g9l n ALA 23 N 2.89 -1.00 -2.40 0.00 0.00 -1.26 -4.88 120.51 113.86 1g9l n ALA 23 Ca 0.05 -0.60 -0.37 0.00 0.00 0.00 0.00 53.44 52.52 1g9l n ALA 23 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1g9l n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1g9l s GLY 24 N -3.50 1.05 0.53 0.00 0.00 -1.26 -4.95 107.32 99.19 1g9l s GLY 24 Ca 0.26 -2.40 0.09 0.00 0.00 0.00 0.00 44.72 42.67 1g9l s GLY 24 CO 0.20 2.99 0.68 -1.34 0.00 0.00 0.00 173.10 175.62 1g9l s VAL 25 N 6.57 2.29 -0.20 1.40 -7.23 -1.26 -5.08 120.40 116.90 1g9l s VAL 25 Ca 0.57 -1.08 -0.21 0.00 -1.81 0.00 0.00 61.98 59.45 1g9l s VAL 25 Cb 0.01 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1g9l s VAL 25 CO 0.03 0.00 0.62 -0.60 -0.31 0.00 0.00 175.10 174.84 1g9l s ARG 26 N -4.52 4.21 0.05 4.82 3.52 -1.26 -5.06 118.95 120.71 1g9l s ARG 26 Ca 0.56 0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 56.68 1g9l s ARG 26 Cb -0.06 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.70 1g9l s ARG 26 CO 0.35 -0.23 0.34 -0.80 -0.81 0.00 0.00 175.30 174.14 1g9l s ASN 27 N 1.20 6.55 0.00 -2.12 -0.87 -1.26 -5.05 114.94 113.39 1g9l s ASN 27 Ca 0.28 0.65 0.00 0.00 -1.57 0.00 0.00 52.86 52.22 1g9l s ASN 27 Cb -0.16 -2.12 0.00 0.00 -0.02 0.00 0.00 41.25 38.95 1g9l s ASN 27 CO 0.10 0.19 0.98 -2.65 -2.57 0.00 0.00 177.10 173.16 1g9l n PRO 28 N 0.89 0.00 -2.97 -0.60 -0.02 -1.26 -4.37 135.00 126.67 1g9l n PRO 28 Ca -0.09 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1g9l n PRO 28 Cb 0.52 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 1g9l n PRO 28 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1g9l s GLN 29 N -2.92 3.37 0.00 -0.52 -0.21 -1.26 -4.93 119.66 113.19 1g9l s GLN 29 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.18 1g9l s GLN 29 Cb 0.00 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 30.04 1g9l s GLN 29 CO 0.00 -1.17 0.00 0.94 -2.12 0.00 0.00 175.29 172.94 1g9l n GLN 30 N 6.75 0.00 0.00 2.91 7.27 -1.26 -5.02 117.38 128.03 1g9l n GLN 30 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1g9l n GLN 30 Cb 0.48 -0.01 0.00 0.00 2.41 0.00 0.00 30.24 33.11 1g9l n GLN 30 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1g9l n HIS 31 N -1.31 0.00 -3.10 3.69 -0.00 -1.26 -5.06 115.22 108.17 1g9l n HIS 31 Ca 0.00 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.73 1g9l n HIS 31 Cb 0.00 0.03 -0.05 0.00 -0.12 0.00 0.00 29.99 29.85 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1g9l s LEU 32 N 0.00 5.34 -0.49 0.27 1.43 -1.26 -5.01 118.68 118.96 1g9l s LEU 32 Ca 0.00 -1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 51.56 1g9l s LEU 32 Cb 0.00 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 44.01 1g9l s LEU 32 CO 0.00 -1.12 0.40 0.20 0.23 0.00 0.00 176.35 176.05 1g9l s ASN 33 N 3.61 5.99 -1.06 2.29 0.01 -1.26 -5.01 114.94 119.51 1g9l s ASN 33 Ca 0.12 -1.63 -0.23 0.00 -0.71 0.00 0.00 52.86 50.41 1g9l s ASN 33 Cb -0.24 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 1g9l s ASN 33 CO 0.07 -0.71 1.79 0.00 -1.51 0.00 0.00 177.10 176.74 1g9l s ALA 34 N 1.54 2.20 0.03 0.60 0.00 -1.26 -4.95 121.76 119.90 1g9l s ALA 34 Ca 0.04 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.95 1g9l s ALA 34 Cb -0.26 -4.59 -0.04 0.00 0.00 0.00 0.00 23.12 18.23 1g9l s ALA 34 CO 0.03 -4.40 0.11 -0.65 0.00 0.00 0.00 175.76 170.86 1g9l s GLN 35 N 5.97 3.12 0.61 0.00 1.11 -1.26 -4.07 119.66 125.15 1g9l s GLN 35 Ca 0.61 -0.51 -0.09 0.00 0.01 0.00 0.00 55.36 55.39 1g9l s GLN 35 Cb -0.02 -2.89 -0.01 0.00 -1.01 0.00 0.00 33.01 29.08 1g9l s GLN 35 CO 0.01 0.63 0.97 -1.25 0.01 0.00 0.00 175.29 175.66 1g9l s PRO 36 N -2.04 3.19 0.19 2.91 0.04 -1.26 -5.18 135.00 132.84 1g9l s PRO 36 Ca 0.27 0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 1g9l s PRO 36 Cb -0.12 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1g9l s PRO 36 CO 0.19 -0.67 0.26 1.04 0.04 0.00 0.00 177.00 177.85 1g9l n GLN 37 N -2.69 -0.11 -2.55 4.56 6.02 -1.26 -4.98 117.38 116.37 1g9l n GLN 37 Ca 0.05 -0.45 -0.43 0.00 -0.01 0.00 0.00 57.00 56.16 1g9l n GLN 37 Cb 0.56 -0.25 -0.02 0.00 1.02 0.00 0.00 30.24 31.55 1g9l n GLN 37 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1g9l s VAL 38 N -1.36 4.15 -0.20 5.09 -7.23 -1.26 -5.01 120.40 114.59 1g9l s VAL 38 Ca 0.15 1.19 -0.10 0.00 -1.81 0.00 0.00 61.98 61.41 1g9l s VAL 38 Cb -0.00 -4.50 -0.05 0.00 0.56 0.00 0.00 36.38 32.38 1g9l s VAL 38 CO 0.10 -0.92 0.14 -0.89 -0.31 0.00 0.00 175.10 173.22 1g9l s THR 39 N 4.63 5.41 0.69 5.32 2.01 -1.26 -5.09 115.64 127.34 1g9l s THR 39 Ca 0.51 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.64 1g9l s THR 39 Cb -0.09 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 68.99 1g9l s THR 39 CO 0.31 0.44 1.02 -0.32 -0.69 0.00 0.00 174.62 175.38 1g9l s MET 40 N 0.34 2.38 -0.10 4.92 1.75 -1.26 -5.04 119.30 122.30 1g9l s MET 40 Ca 0.09 -0.09 -0.26 0.00 -1.25 0.00 0.00 55.69 54.17 1g9l s MET 40 Cb -0.11 -2.15 -0.02 0.00 2.84 0.00 0.00 34.83 35.38 1g9l s MET 40 CO -0.02 -1.15 0.84 1.14 -0.65 0.00 0.00 175.02 175.18 1g9l s GLN 41 N -5.24 4.41 -0.37 4.11 -2.07 -1.26 -5.03 119.66 114.21 1g9l s GLN 41 Ca 0.59 1.09 0.01 0.00 -1.82 0.00 0.00 55.36 55.23 1g9l s GLN 41 Cb -0.11 -3.51 0.12 0.00 -1.09 0.00 0.00 33.01 28.42 1g9l s GLN 41 CO 0.46 -0.15 0.16 -1.14 -1.32 0.00 0.00 175.29 173.30 1g9l s GLN 42 N 1.47 1.06 -0.38 9.60 0.74 -1.26 -5.09 119.66 125.81 1g9l s GLN 42 Ca 0.42 -1.60 -0.28 0.00 0.05 0.00 0.00 55.36 53.95 1g9l s GLN 42 Cb -0.18 -2.27 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 1g9l s GLN 42 CO 0.18 -1.07 1.84 -1.25 -0.55 0.00 0.00 175.29 174.44 1g9l s PRO 43 N 0.94 3.18 -1.38 1.67 0.04 -1.26 -4.90 135.00 133.30 1g9l s PRO 43 Ca 0.14 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 1g9l s PRO 43 Cb -0.21 -4.24 0.08 0.00 0.04 0.00 0.00 34.50 30.17 1g9l s PRO 43 CO -0.11 -2.05 2.44 0.00 0.04 0.00 0.00 177.00 177.32 1g9l n ALA 44 N 10.90 6.79 -0.19 8.56 0.00 -1.26 -4.68 120.51 140.63 1g9l n ALA 44 Ca 0.23 -4.00 -0.13 0.00 0.00 0.00 0.00 53.44 49.54 1g9l n ALA 44 Cb 0.48 -2.92 0.09 0.00 0.00 0.00 0.00 19.45 17.10 1g9l n ALA 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1g9l n VAL 45 N 2.28 2.17 0.00 0.00 0.24 -1.26 -4.43 118.33 117.33 1g9l n VAL 45 Ca 0.63 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1g9l n VAL 45 Cb 0.26 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 1g9l n VAL 45 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1g9l n HIS 46 N -0.30 0.00 -4.00 6.34 8.25 -1.26 -5.01 115.22 119.25 1g9l n HIS 46 Ca 0.31 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.50 1g9l n HIS 46 Cb 1.06 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 32.02 1g9l n HIS 46 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1g9l s VAL 47 N -0.53 4.99 -2.17 1.59 1.01 -1.26 -5.00 120.40 119.02 1g9l s VAL 47 Ca 0.00 -0.83 0.27 0.00 0.00 0.00 0.00 61.98 61.42 1g9l s VAL 47 Cb 0.00 -3.55 0.38 0.00 0.00 0.00 0.00 36.38 33.21 1g9l s VAL 47 CO 0.00 -0.08 1.62 0.00 0.00 0.00 0.00 175.10 176.63 1g9l n GLN 48 N -0.41 1.31 0.00 2.72 10.64 -1.26 -4.89 117.38 125.49 1g9l n GLN 48 Ca -0.07 -0.80 0.00 0.00 -1.83 0.00 0.00 57.00 54.29 1g9l n GLN 48 Cb 0.54 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 1g9l n GLN 48 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1g9l n GLY 49 N 1.27 1.46 3.71 2.61 0.00 -1.26 -5.05 105.19 107.94 1g9l n GLY 49 Ca 0.15 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 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 2.28 4.39 -0.17 1.61 -1.52 -1.26 -4.99 119.66 120.01 1g9l s GLN 50 Ca 0.00 0.76 -0.23 0.00 -1.95 0.00 0.00 55.36 53.94 1g9l s GLN 50 Cb 0.00 -3.46 -0.21 0.00 -0.22 0.00 0.00 33.01 29.12 1g9l s GLN 50 CO 0.00 0.05 0.45 0.93 -0.25 0.00 0.00 175.29 176.47 1g9l h GLU 51 N 6.83 0.00 -6.15 2.91 4.39 -1.96 -3.45 114.58 117.14 1g9l h GLU 51 Ca -0.40 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.73 1g9l h GLU 51 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1g9l h GLU 51 CO 0.76 0.90 1.35 -1.25 -1.16 0.00 0.00 179.01 179.61 1g9l s PRO 52 N -2.25 3.41 0.19 2.33 0.04 -1.26 -4.95 135.00 132.51 1g9l s PRO 52 Ca -0.22 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1g9l s PRO 52 Cb 0.01 -4.25 -0.08 0.00 0.04 0.00 0.00 34.50 30.22 1g9l s PRO 52 CO 0.59 -1.78 1.22 -0.51 0.04 0.00 0.00 177.00 176.57 1g9l s LEU 53 N 7.00 4.44 0.00 -3.56 2.01 -1.26 -4.76 118.68 122.56 1g9l s LEU 53 Ca 0.90 2.28 -0.15 0.00 0.01 0.00 0.00 54.13 57.16 1g9l s LEU 53 Cb -0.30 -3.61 0.05 0.00 0.01 0.00 0.00 46.19 42.34 1g9l s LEU 53 CO 0.35 -0.40 0.71 0.41 1.01 0.00 0.00 176.35 178.43 1g9l n THR 54 N 2.48 0.00 -0.28 5.49 -1.04 -1.26 -4.88 114.28 114.78 1g9l n THR 54 Ca 0.04 -0.24 0.09 0.00 -2.04 0.00 0.00 64.05 61.90 1g9l n THR 54 Cb 0.44 0.43 0.24 0.00 -1.82 0.00 0.00 70.33 69.63 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 1.23 -0.18 2.41 0.00 -1.61 -0.46 119.26 122.65 1g9l h ALA 55 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1g9l h ALA 55 Cb 0.74 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1g9l h ALA 55 CO 0.21 -0.28 0.12 0.77 0.00 0.00 0.00 179.25 180.07 1g9l h SER 56 N 0.41 0.21 -0.82 0.00 0.02 -1.87 -0.30 113.55 111.20 1g9l h SER 56 Ca 0.49 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.45 1g9l h SER 56 Cb 0.84 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1g9l h SER 56 CO -0.48 0.17 0.52 0.24 -1.14 0.00 0.00 176.83 176.14 1g9l h MET 57 N 0.24 0.96 -0.42 3.45 2.07 -1.47 -2.28 114.93 117.48 1g9l h MET 57 Ca 0.07 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.62 1g9l h MET 57 Cb -0.01 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.49 1g9l h MET 57 CO -0.01 0.64 0.20 -0.07 1.07 0.00 0.00 176.91 178.73 1g9l h LEU 58 N 0.99 0.54 -1.39 1.22 3.38 -0.74 -1.64 115.31 117.67 1g9l h LEU 58 Ca 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1g9l h LEU 58 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1g9l h LEU 58 CO -0.13 0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1g9l h ALA 59 N 1.05 1.00 0.00 1.53 0.00 -0.51 -0.36 119.26 121.97 1g9l h ALA 59 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1g9l h ALA 59 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1g9l h ALA 59 CO -0.02 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.68 1g9l n SER 60 N -2.33 0.00 -3.09 0.00 2.88 -0.62 -3.72 113.62 106.74 1g9l n SER 60 Ca -0.01 0.02 -0.21 0.00 -1.33 0.00 0.00 58.87 57.34 1g9l n SER 60 Cb 0.08 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.19 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 61 N -1.32 3.00 0.04 -1.46 0.00 -0.14 -4.97 120.51 115.66 1g9l n ALA 61 Ca 0.11 -3.87 -0.11 0.00 0.00 0.00 0.00 53.44 49.57 1g9l n ALA 61 Cb 0.21 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 2.99 -0.27 -0.91 0.00 0.11 -1.72 -0.32 132.00 131.89 1g9l h PRO 62 Ca 0.11 0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.89 1g9l h PRO 62 Cb 0.80 0.06 -0.21 0.00 0.11 0.00 0.00 31.00 31.76 1g9l h PRO 62 CO 0.62 -0.18 0.45 -0.35 -0.21 0.00 0.00 178.00 178.33 1g9l n PRO 63 N -5.31 2.73 0.00 1.05 -0.04 -1.26 -4.40 135.00 127.77 1g9l n PRO 63 Ca -0.04 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.67 1g9l n PRO 63 Cb 0.23 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 -0.60 0.00 -1.37 0.54 7.27 -1.03 -4.99 117.38 117.21 1g9l n GLN 64 Ca 0.47 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.29 1g9l n GLN 64 Cb 1.45 0.00 0.11 0.00 2.41 0.00 0.00 30.24 34.21 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 0.00 2.65 0.28 3.69 1.02 -1.11 -4.59 120.64 122.58 1g9l n GLU 65 Ca 0.00 -3.42 0.17 0.00 -0.02 0.00 0.00 57.16 53.89 1g9l n GLU 65 Cb 0.00 -2.18 0.77 0.00 -0.02 0.00 0.00 31.44 30.01 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1g9l h GLN 66 N 1.68 0.00 0.00 3.49 4.15 -1.27 -2.81 115.11 120.35 1g9l h GLN 66 Ca 0.49 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.83 1g9l h GLN 66 Cb 1.49 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 29.02 1g9l h GLN 66 CO 1.09 0.03 -0.65 0.36 -1.93 0.00 0.00 178.83 177.74 1g9l n LYS 67 N -3.16 0.64 0.07 1.69 2.85 -1.26 -4.85 118.16 114.13 1g9l n LYS 67 Ca -0.00 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.97 1g9l n LYS 67 Cb 0.27 -0.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 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 -0.33 0.00 0.00 -1.58 6.02 -1.12 -4.83 117.38 115.55 1g9l n GLN 68 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1g9l n GLN 68 Cb 0.87 -0.22 0.00 0.00 1.02 0.00 0.00 30.24 31.90 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 -3.22 0.90 -0.00 -1.09 0.00 -1.08 -2.51 117.12 110.13 1g9l n MET 69 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 1g9l n MET 69 Cb 0.08 -1.38 -0.14 0.00 0.00 0.00 0.00 33.22 31.79 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 0.08 0.13 -2.01 3.17 -0.00 -1.88 -3.31 115.31 111.49 1g9l h LEU 70 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1g9l h LEU 70 Cb 0.38 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1g9l h LEU 70 CO 0.00 1.23 -0.07 0.61 -0.00 0.00 0.00 178.44 180.21 1g9l n GLY 71 N 1.65 0.33 0.00 0.17 0.00 -1.20 -4.53 105.19 101.62 1g9l n GLY 71 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.32 0.98 0.00 1.61 1.02 -1.04 -3.40 120.64 119.49 1g9l n GLU 72 Ca 0.02 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1g9l n GLU 72 Cb 0.46 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 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 -0.19 2.15 0.20 3.49 3.00 -1.24 -4.72 116.66 119.34 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 0.07 -0.81 0.24 0.00 0.00 0.00 0.00 32.46 31.96 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 -0.65 6.15 3.38 -1.80 -3.36 115.31 119.03 1g9l h LEU 74 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1g9l h LEU 74 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1g9l h LEU 74 CO 0.00 0.19 -0.39 0.15 0.09 0.00 0.00 178.44 178.48 1g9l h PHE 75 N 0.00 -1.11 0.00 1.13 3.57 -1.86 0.40 116.94 119.07 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 1.01 0.58 0.00 0.00 2.79 0.00 0.00 35.95 40.33 1g9l h PHE 75 CO 0.00 -0.40 0.00 -1.35 -2.23 0.00 0.00 178.31 174.33 1g9l h PRO 76 N -0.16 0.00 0.00 6.41 0.11 -1.94 -2.12 132.00 134.29 1g9l h PRO 76 Ca 0.23 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.03 1g9l h PRO 76 Cb 0.56 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.61 1g9l h PRO 76 CO -0.73 0.00 -2.23 1.28 -0.21 0.00 0.00 178.00 176.11 1g9l n LEU 77 N -2.40 0.12 -0.32 2.35 4.32 0.12 -4.35 117.00 116.84 1g9l n LEU 77 Ca -0.02 0.06 -0.04 0.00 -0.02 0.00 0.00 56.01 55.99 1g9l n LEU 77 Cb 0.05 0.38 0.08 0.00 -1.62 0.00 0.00 43.42 42.31 1g9l n LEU 77 CO 0.12 0.40 1.15 0.40 -1.22 0.00 0.00 177.39 178.25 1g9l h ILE 78 N 0.00 1.25 0.00 -0.08 1.08 -0.22 -1.46 117.51 118.08 1g9l h ILE 78 Ca -0.43 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1g9l h ILE 78 Cb 2.02 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1g9l h ILE 78 CO 0.03 0.28 0.34 1.56 -0.69 0.00 0.00 178.15 179.67 1g9l h GLN 79 N 1.20 0.00 0.12 2.37 4.20 -1.75 0.45 115.11 121.70 1g9l h GLN 79 Ca 0.30 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.71 1g9l h GLN 79 Cb 0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1g9l h GLN 79 CO -0.05 0.00 -1.52 0.00 -0.67 0.00 0.00 178.83 176.59 1g9l h ALA 80 N 1.23 0.27 -0.00 3.87 0.00 -1.51 -3.23 119.26 119.89 1g9l h ALA 80 Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 54.91 53.56 1g9l h ALA 80 Cb 0.67 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1g9l h ALA 80 CO 0.00 1.14 -0.99 0.52 0.00 0.00 0.00 179.25 179.92 1g9l h MET 81 N 0.07 0.54 -5.96 0.00 2.86 -0.17 -3.46 114.93 108.81 1g9l h MET 81 Ca -0.24 -0.58 -0.59 0.00 -2.06 0.00 0.00 59.70 56.23 1g9l h MET 81 Cb 2.01 0.17 -0.14 0.00 0.06 0.00 0.00 31.60 33.70 1g9l h MET 81 CO 0.16 1.20 -0.71 -1.01 1.06 0.00 0.00 176.91 177.61 1g9l s HIS 82 N -3.29 2.25 -0.65 -0.22 4.02 -0.56 -5.03 115.29 111.81 1g9l s HIS 82 Ca -0.08 -0.46 -0.24 0.00 1.02 0.00 0.00 55.06 55.30 1g9l s HIS 82 Cb 0.08 -1.15 -0.21 0.00 -1.02 0.00 0.00 32.58 30.28 1g9l s HIS 82 CO 0.89 0.58 1.85 -0.35 1.02 0.00 0.00 174.74 178.74 1g9l n PRO 83 N -0.67 1.09 -2.84 8.40 -0.04 -1.26 -4.08 135.00 135.60 1g9l n PRO 83 Ca -0.05 -1.71 -0.15 0.00 -0.04 0.00 0.00 63.50 61.54 1g9l n PRO 83 Cb 0.62 -2.96 -0.01 0.00 -0.04 0.00 0.00 33.50 31.11 1g9l n PRO 83 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g9l n THR 84 N 6.60 -0.67 1.57 0.52 -2.24 -1.22 -4.79 114.28 114.05 1g9l n THR 84 Ca 0.48 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.34 1g9l n THR 84 Cb 0.42 -1.54 0.35 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.15 0.85 0.00 3.22 4.77 -1.26 -4.80 117.00 116.62 1g9l n LEU 85 Ca -0.07 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1g9l n LEU 85 Cb 0.57 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1g9l n LEU 85 CO 0.29 0.19 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 1g9l n ALA 86 N -0.17 0.00 0.00 -1.18 0.00 -1.26 -4.52 120.51 113.38 1g9l n ALA 86 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1g9l n ALA 86 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 1.88 2.90 0.00 0.00 0.00 -1.26 -4.31 105.19 104.40 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 0.48 0.00 1.61 3.00 -1.26 -4.92 118.16 115.07 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1g9l n LYS 88 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 34.94 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 -0.29 0.00 -0.36 3.15 5.41 -1.26 0.73 119.36 126.74 1g9l n ILE 89 Ca 0.00 0.72 0.08 0.00 1.00 0.00 0.00 62.75 64.55 1g9l n ILE 89 Cb 0.00 -1.45 0.25 0.00 -0.71 0.00 0.00 39.64 37.73 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 0.88 -0.34 1.39 2.02 -1.91 0.42 112.91 115.37 1g9l h THR 90 Ca 0.00 -0.33 0.10 0.00 0.77 0.00 0.00 66.41 66.95 1g9l h THR 90 Cb 0.00 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.24 1g9l h THR 90 CO 0.00 0.17 0.25 1.23 0.37 0.00 0.00 175.52 177.54 1g9l h GLY 91 N 0.96 0.00 1.72 2.16 0.00 -1.56 0.28 103.07 106.64 1g9l h GLY 91 Ca 0.51 -0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.71 1g9l h GLY 91 CO -0.29 0.00 -0.79 1.98 0.00 0.00 0.00 176.54 177.44 1g9l h MET 92 N 0.00 0.00 0.00 4.80 -1.53 0.47 -3.19 114.93 115.48 1g9l h MET 92 Ca 0.16 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.42 1g9l h MET 92 Cb 0.65 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.70 1g9l h MET 92 CO -0.00 0.48 0.00 1.28 0.14 0.00 0.00 176.91 178.81 1g9l n LEU 93 N -3.14 0.00 -1.60 3.39 7.99 0.98 0.11 117.00 124.73 1g9l n LEU 93 Ca -0.01 0.40 -0.06 0.00 -0.01 0.00 0.00 56.01 56.33 1g9l n LEU 93 Cb 0.78 -0.40 0.25 0.00 -0.11 0.00 0.00 43.42 43.93 1g9l n LEU 93 CO 0.42 -0.39 0.92 0.18 -1.51 0.00 0.00 177.39 177.01 1g9l n LEU 94 N -1.40 5.25 0.00 2.23 7.99 -1.18 -4.13 117.00 125.76 1g9l n LEU 94 Ca 0.00 -3.40 0.00 0.00 -0.01 0.00 0.00 56.01 52.60 1g9l n LEU 94 Cb 0.01 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 1g9l n LEU 94 CO 0.01 0.95 0.00 -1.84 -1.51 0.00 0.00 177.39 175.00 1g9l n GLU 95 N -0.65 0.00 0.00 3.23 0.28 0.31 -5.10 120.64 118.70 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 1.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.12 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 -4.65 119.36 118.78 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 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 39.64 39.73 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 -4.76 116.55 119.84 1g9l n ASP 97 Ca 0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1g9l n ASP 97 Cb 0.00 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1g9l n ASP 97 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1g9l n ASN 98 N -1.12 0.00 0.12 1.67 3.02 -1.26 -4.66 115.26 113.02 1g9l n ASN 98 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1g9l n ASN 98 Cb 0.01 -0.01 0.14 0.00 -0.61 0.00 0.00 39.78 39.31 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g9l h SER 99 N 0.00 0.10 1.61 6.41 0.02 -1.98 -2.29 113.55 117.42 1g9l h SER 99 Ca 0.00 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1g9l h SER 99 Cb 0.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1g9l h SER 99 CO 0.00 0.71 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.86 1g9l h GLU 100 N 0.06 0.00 0.00 3.45 5.08 -1.93 -0.39 114.58 120.85 1g9l h GLU 100 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1g9l h GLU 100 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1g9l h GLU 100 CO 0.09 0.21 -0.36 1.25 -1.00 0.00 0.00 179.01 179.20 1g9l h LEU 101 N 0.00 0.00 0.03 1.33 5.85 -1.61 -2.31 115.31 118.60 1g9l h LEU 101 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1g9l h LEU 101 Cb 1.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1g9l h LEU 101 CO 0.03 0.36 -1.59 0.18 -0.34 0.00 0.00 178.44 177.07 1g9l n LEU 102 N -3.35 2.09 -0.11 2.25 4.32 -0.90 -4.04 117.00 117.25 1g9l n LEU 102 Ca 0.01 0.35 -0.05 0.00 -0.02 0.00 0.00 56.01 56.30 1g9l n LEU 102 Cb 0.57 -0.99 0.15 0.00 -1.62 0.00 0.00 43.42 41.52 1g9l n LEU 102 CO 0.37 0.46 0.86 -0.74 -1.22 0.00 0.00 177.39 177.12 1g9l h HIS 103 N -0.71 0.86 -0.89 -1.77 2.76 -1.17 -1.17 115.15 113.06 1g9l h HIS 103 Ca -0.41 -0.13 0.02 0.00 -2.20 0.00 0.00 60.37 57.65 1g9l h HIS 103 Cb 1.53 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 30.21 1g9l h HIS 103 CO 0.07 0.80 0.59 0.00 -1.30 0.00 0.00 177.93 178.10 1g9l h MET 104 N 0.74 1.14 -0.00 5.26 -0.00 -1.61 0.79 114.93 121.25 1g9l h MET 104 Ca 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 1g9l h MET 104 Cb 0.48 -0.26 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1g9l h MET 104 CO 0.02 0.75 -0.26 1.28 -0.00 0.00 0.00 176.91 178.71 1g9l n LEU 105 N -4.42 0.48 -0.22 -0.10 4.77 -1.06 -2.72 117.00 113.74 1g9l n LEU 105 Ca 0.11 0.05 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1g9l n LEU 105 Cb 0.05 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1g9l n LEU 105 CO 0.36 0.10 0.18 -0.62 -1.33 0.00 0.00 177.39 176.08 1g9l n GLU 106 N -1.21 2.17 -3.74 3.23 -0.58 -0.10 -4.78 120.64 115.64 1g9l n GLU 106 Ca 0.09 -0.54 -0.13 0.00 -0.42 0.00 0.00 57.16 56.17 1g9l n GLU 106 Cb 0.32 -1.14 -0.13 0.00 -0.57 0.00 0.00 31.44 29.92 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 -1.68 -0.24 0.00 1.62 0.15 0.26 -5.00 113.70 108.81 1g9l s SER 107 Ca 0.09 0.48 0.02 0.00 0.70 0.00 0.00 55.95 57.25 1g9l s SER 107 Cb 0.10 0.38 0.14 0.00 -1.71 0.00 0.00 66.02 64.93 1g9l s SER 107 CO 0.35 -0.15 0.66 -0.81 1.20 0.00 0.00 173.24 174.48 1g9l n PRO 108 N 4.11 0.53 0.00 5.44 -0.04 -1.26 -2.35 135.00 141.43 1g9l n PRO 108 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1g9l n PRO 108 Cb 0.53 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1g9l n PRO 108 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1g9l n GLU 109 N -0.57 2.35 -0.14 0.54 2.13 -1.26 -4.73 120.64 118.95 1g9l n GLU 109 Ca 0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 1g9l n GLU 109 Cb 0.01 -0.78 -0.01 0.00 0.27 0.00 0.00 31.44 30.93 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1g9l h SER 110 N 0.00 0.60 -0.93 4.31 0.02 -1.69 0.44 113.55 116.30 1g9l h SER 110 Ca 0.00 -0.20 0.26 0.00 -0.84 0.00 0.00 61.79 61.01 1g9l h SER 110 Cb 0.43 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 62.67 1g9l h SER 110 CO 0.00 0.64 0.41 0.25 -1.14 0.00 0.00 176.83 176.99 1g9l h LEU 111 N 0.52 0.31 0.01 5.07 7.12 -1.62 0.56 115.31 127.28 1g9l h LEU 111 Ca 0.13 0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.32 1g9l h LEU 111 Cb 0.25 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1g9l h LEU 111 CO -0.00 -0.09 -0.00 -0.09 -0.13 0.00 0.00 178.44 178.12 1g9l h ARG 112 N 0.33 -0.01 -0.45 1.25 2.43 -1.61 -2.89 114.38 113.42 1g9l h ARG 112 Ca 0.62 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.88 1g9l h ARG 112 Cb 1.28 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.74 1g9l h ARG 112 CO -0.59 -0.01 -0.25 1.03 -1.51 0.00 0.00 179.97 178.64 1g9l h SER 113 N -0.51 -0.84 -0.09 -3.80 0.87 0.12 0.28 113.55 109.58 1g9l h SER 113 Ca -0.00 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1g9l h SER 113 Cb 0.01 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1g9l h SER 113 CO 0.00 -0.27 0.05 0.11 -0.53 0.00 0.00 176.83 176.20 1g9l h LYS 114 N -0.16 0.13 0.17 2.24 1.79 -0.06 0.37 116.57 121.05 1g9l h LYS 114 Ca 0.21 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1g9l h LYS 114 Cb 0.49 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1g9l h LYS 114 CO -0.54 0.09 -0.08 0.28 -1.08 0.00 0.00 179.45 178.12 1g9l h VAL 115 N 0.13 0.90 -0.90 0.50 2.07 -0.38 0.28 116.25 118.85 1g9l h VAL 115 Ca 0.03 -1.03 0.16 0.00 0.82 0.00 0.00 66.70 66.68 1g9l h VAL 115 Cb 0.00 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1g9l h VAL 115 CO -0.01 0.21 0.58 0.44 0.02 0.00 0.00 177.57 178.82 1g9l h ASP 116 N -0.79 0.61 0.48 0.57 5.19 -0.35 0.29 116.42 122.42 1g9l h ASP 116 Ca -0.02 0.04 -0.21 0.00 -0.62 0.00 0.00 57.03 56.23 1g9l h ASP 116 Cb 0.52 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1g9l h ASP 116 CO 0.04 0.29 -0.89 -0.33 -3.12 0.00 0.00 179.24 175.23 1g9l h GLU 117 N 0.64 0.28 0.00 3.56 5.08 -0.90 -2.94 114.58 120.30 1g9l h GLU 117 Ca 0.46 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1g9l h GLU 117 Cb 0.82 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1g9l h GLU 117 CO -0.21 1.00 -0.16 0.00 -1.00 0.00 0.00 179.01 178.65 1g9l h ALA 118 N 0.89 1.18 -0.05 3.43 0.00 0.29 -2.44 119.26 122.56 1g9l h ALA 118 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1g9l h ALA 118 Cb 1.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1g9l h ALA 118 CO 0.14 0.19 0.01 0.28 0.00 0.00 0.00 179.25 179.87 1g9l h VAL 119 N 0.00 1.22 -0.24 0.00 2.07 -0.55 0.77 116.25 119.53 1g9l h VAL 119 Ca -0.00 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.91 1g9l h VAL 119 Cb 0.48 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1g9l h VAL 119 CO 0.02 0.19 0.21 0.00 0.02 0.00 0.00 177.57 178.01 1g9l h ALA 120 N 0.75 2.01 0.01 1.67 0.00 -1.43 0.38 119.26 122.65 1g9l h ALA 120 Ca 0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 1g9l h ALA 120 Cb 0.29 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1g9l h ALA 120 CO 0.00 -0.33 -1.32 0.28 0.00 0.00 0.00 179.25 177.88 1g9l h VAL 121 N 0.00 1.33 -0.04 0.00 2.07 -0.91 -2.72 116.25 115.98 1g9l h VAL 121 Ca 0.11 -3.10 -0.24 0.00 0.82 0.00 0.00 66.70 64.30 1g9l h VAL 121 Cb 0.53 2.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1g9l h VAL 121 CO -0.00 0.77 -0.93 0.25 0.02 0.00 0.00 177.57 177.68 1g9l h LEU 122 N 0.00 0.75 -0.70 2.57 5.85 0.32 -1.95 115.31 122.14 1g9l h LEU 122 Ca -0.14 -0.56 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 1g9l h LEU 122 Cb 1.88 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1g9l h LEU 122 CO 0.11 1.36 -0.02 1.56 -0.34 0.00 0.00 178.44 181.11 1g9l h GLN 123 N 0.36 0.00 0.00 1.25 1.08 -0.50 0.31 115.11 117.60 1g9l h GLN 123 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1g9l h GLN 123 Cb 1.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.99 1g9l h GLN 123 CO 0.17 0.02 -0.67 0.00 -0.95 0.00 0.00 178.83 177.41 1g9l h ALA 124 N 1.98 0.58 0.00 3.87 0.00 -1.35 -3.29 119.26 121.05 1g9l h ALA 124 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1g9l h ALA 124 Cb 0.78 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1g9l h ALA 124 CO 0.00 0.00 -1.42 1.58 0.00 0.00 0.00 179.25 179.41 1g9l n HIS 125 N -2.21 0.00 0.09 0.00 -0.00 -0.75 -3.91 115.22 108.44 1g9l n HIS 125 Ca 0.03 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.17 1g9l n HIS 125 Cb 0.46 -0.32 -0.02 0.00 -0.12 0.00 0.00 29.99 29.98 1g9l n HIS 125 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1g9l h GLN 126 N -0.34 -0.24 -2.17 1.57 1.08 -0.61 -2.77 115.11 111.63 1g9l h GLN 126 Ca -0.22 0.02 -0.66 0.00 -1.45 0.00 0.00 58.65 56.33 1g9l h GLN 126 Cb 1.13 0.05 -0.20 0.00 -0.05 0.00 0.00 27.48 28.41 1g9l h GLN 126 CO -0.13 -0.16 1.09 0.00 -0.95 0.00 0.00 178.83 178.68 1g9l n ALA 127 N -2.27 6.50 -1.86 3.87 0.00 -1.24 -4.97 120.51 120.54 1g9l n ALA 127 Ca -0.03 -3.76 -0.42 0.00 0.00 0.00 0.00 53.44 49.22 1g9l n ALA 127 Cb 0.11 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 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 -2.56 3.98 0.00 0.00 -2.85 -1.05 -4.62 119.74 112.64 1g9l s LYS 128 Ca 0.53 2.24 0.08 0.00 -1.00 0.00 0.00 55.97 57.82 1g9l s LYS 128 Cb 0.33 -4.10 0.34 0.00 -2.06 0.00 0.00 37.83 32.33 1g9l s LYS 128 CO -0.23 -1.11 1.24 -0.85 0.10 0.00 0.00 175.35 174.50 1g9l n GLU 129 N 7.56 1.27 -0.25 1.78 -0.00 -1.26 -3.78 120.64 125.95 1g9l n GLU 129 Ca 0.20 -0.41 0.01 0.00 -0.00 0.00 0.00 57.16 56.96 1g9l n GLU 129 Cb 0.43 -1.15 0.11 0.00 -0.00 0.00 0.00 31.44 30.82 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g9l n ALA 130 N -0.22 2.91 1.18 -1.84 0.00 -1.26 -4.06 120.51 117.21 1g9l n ALA 130 Ca 0.07 -0.54 0.10 0.00 0.00 0.00 0.00 53.44 53.07 1g9l n ALA 130 Cb 0.11 -1.04 0.58 0.00 0.00 0.00 0.00 19.45 19.10 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 131 N 0.17 2.20 0.09 0.00 0.00 -1.25 -3.57 120.51 118.15 1g9l n ALA 131 Ca 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1g9l n ALA 131 Cb 0.53 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 1g9l n ALA 131 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1g9l h GLN 132 N 0.00 -0.30 -4.42 0.00 4.20 -1.93 -3.37 115.11 109.29 1g9l h GLN 132 Ca 0.00 0.02 -0.72 0.00 0.06 0.00 0.00 58.65 58.01 1g9l h GLN 132 Cb 0.07 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 27.81 1g9l h GLN 132 CO 0.00 -0.20 2.30 1.63 -0.67 0.00 0.00 178.83 181.89 1g9l n LYS 133 N -4.28 3.24 -0.04 1.46 5.02 -1.23 -4.72 118.16 117.61 1g9l n LYS 133 Ca -0.04 -3.24 -0.14 0.00 -2.02 0.00 0.00 58.31 52.87 1g9l n LYS 133 Cb 0.12 -3.19 -0.12 0.00 -0.02 0.00 0.00 35.03 31.82 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g9l h ALA 134 N 6.49 0.01 -1.88 7.82 0.00 -1.79 -3.46 119.26 126.45 1g9l h ALA 134 Ca 0.45 -0.42 -0.44 0.00 0.00 0.00 0.00 54.91 54.50 1g9l h ALA 134 Cb 0.73 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.56 1g9l h ALA 134 CO 1.60 -0.04 -0.10 0.14 0.00 0.00 0.00 179.25 180.85 1g9l s VAL 135 N -3.10 3.25 -0.89 0.00 -7.23 -1.26 -4.99 120.40 106.17 1g9l s VAL 135 Ca -0.17 -0.66 0.27 0.00 -1.81 0.00 0.00 61.98 59.61 1g9l s VAL 135 Cb -0.00 -3.19 0.25 0.00 0.56 0.00 0.00 36.38 34.00 1g9l s VAL 135 CO 0.70 -0.13 1.85 0.59 -0.31 0.00 0.00 175.10 177.80 1g9l n ASN 136 N -2.16 0.32 -4.85 4.85 4.13 -1.26 -4.79 115.26 111.51 1g9l n ASN 136 Ca 0.05 0.53 -0.38 0.00 1.68 0.00 0.00 54.58 56.47 1g9l n ASN 136 Cb 0.59 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 38.15 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1g9l s SER 137 N -3.60 6.72 0.92 6.41 1.04 -1.26 -5.08 113.70 118.84 1g9l s SER 137 Ca 0.12 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.29 1g9l s SER 137 Cb 0.16 -2.21 0.15 0.00 0.10 0.00 0.00 66.02 64.21 1g9l s SER 137 CO 0.54 0.34 1.10 0.00 0.98 0.00 0.00 173.24 176.19 1g9l s ALA 138 N -1.08 1.43 -0.07 5.32 0.00 -1.26 -4.96 121.76 121.13 1g9l s ALA 138 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1g9l s ALA 138 Cb -0.16 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1g9l s ALA 138 CO 0.12 -2.46 -0.05 0.95 0.00 0.00 0.00 175.76 174.32 1g9l s THR 139 N -3.01 3.87 0.12 0.00 -4.23 -1.26 -5.08 115.64 106.05 1g9l s THR 139 Ca 0.64 -0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 1g9l s THR 139 Cb -0.17 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.00 1g9l s THR 139 CO 0.56 0.60 0.49 -0.83 -0.54 0.00 0.00 174.62 174.90 1g9l s GLY 140 N -0.80 2.41 -0.25 3.99 0.00 -1.26 -5.07 107.32 106.33 1g9l s GLY 140 Ca 0.12 -0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 1g9l s GLY 140 CO 0.02 0.02 0.21 0.14 0.00 0.00 0.00 173.10 173.48 1g9l s VAL 141 N -1.45 5.32 0.05 1.40 1.01 -1.26 -4.95 120.40 120.52 1g9l s VAL 141 Ca 0.36 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 1g9l s VAL 141 Cb -0.14 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1g9l s VAL 141 CO 0.19 0.29 1.57 -2.16 0.00 0.00 0.00 175.10 174.99 1g9l s PRO 142 N 1.40 4.22 0.20 2.72 0.04 -1.26 -4.91 135.00 137.42 1g9l s PRO 142 Ca 0.09 2.22 0.09 0.00 0.04 0.00 0.00 61.00 63.44 1g9l s PRO 142 Cb -0.15 -3.57 0.06 0.00 0.04 0.00 0.00 34.50 30.88 1g9l s PRO 142 CO 0.07 -0.68 1.43 1.15 0.04 0.00 0.00 177.00 179.02 1g9l h THR 143 N 4.80 1.53 0.00 1.26 2.02 -2.07 -3.55 112.91 116.91 1g9l h THR 143 Ca -0.41 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 63.98 1g9l h THR 143 Cb 1.19 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1g9l h THR 143 CO 0.92 0.79 0.00 0.52 0.37 0.00 0.00 175.52 178.12