#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 1.06 -2.57 1.61 -0.04 -1.26 -4.91 135.00 128.89 1g9l n PRO 2 Ca 0.00 -0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 62.98 1g9l n PRO 2 Cb 0.00 -1.06 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1g9l n PRO 2 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 3 N -0.06 4.44 0.47 1.53 2.96 -1.26 -5.05 118.68 121.71 1g9l s LEU 3 Ca 0.03 2.11 -0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1g9l s LEU 3 Cb 0.02 -3.81 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1g9l s LEU 3 CO -0.00 -0.18 0.70 -0.83 -1.32 0.00 0.00 176.35 174.72 1g9l s GLY 4 N -1.18 1.59 -0.03 7.98 0.00 -1.26 -5.02 107.32 109.40 1g9l s GLY 4 Ca 0.48 -1.05 0.21 0.00 0.00 0.00 0.00 44.72 44.36 1g9l s GLY 4 CO 0.34 -0.86 0.44 -1.14 0.00 0.00 0.00 173.10 171.89 1g9l n SER 5 N -2.15 0.31 0.00 1.64 3.41 -1.26 -4.48 113.62 111.10 1g9l n SER 5 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1g9l n SER 5 Cb 0.58 1.91 0.00 0.00 -0.26 0.00 0.00 64.21 66.44 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g9l n ALA 6 N -2.23 1.48 -1.98 7.33 0.00 -1.26 -5.07 120.51 118.78 1g9l n ALA 6 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1g9l n ALA 6 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 7 N -0.06 0.00 -1.77 0.00 0.00 -1.26 -5.02 120.51 112.40 1g9l n ALA 7 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1g9l n ALA 7 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.77 3.76 0.00 0.00 0.00 -1.26 -4.89 121.76 116.60 1g9l s ALA 8 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1g9l s ALA 8 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1g9l s ALA 8 CO 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 175.76 174.80 1g9l n ALA 9 N 2.39 1.69 -2.49 0.00 0.00 -1.26 -4.70 120.51 116.14 1g9l n ALA 9 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1g9l n ALA 9 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1g9l n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g9l s THR 10 N -1.57 5.01 -0.41 0.00 -4.23 -1.26 -5.03 115.64 108.15 1g9l s THR 10 Ca 0.00 0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 61.01 1g9l s THR 10 Cb 0.00 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 1g9l s THR 10 CO 0.00 0.49 1.57 -2.16 -0.54 0.00 0.00 174.62 173.98 1g9l s PRO 11 N -1.31 3.41 0.01 3.99 0.04 -1.26 -4.86 135.00 135.02 1g9l s PRO 11 Ca 0.27 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.44 1g9l s PRO 11 Cb -0.16 -4.11 -0.23 0.00 0.04 0.00 0.00 34.50 30.04 1g9l s PRO 11 CO 0.15 -1.77 0.87 0.00 0.04 0.00 0.00 177.00 176.30 1g9l h ALA 12 N 11.72 0.59 -3.07 8.56 0.00 -2.01 -3.46 119.26 131.58 1g9l h ALA 12 Ca -0.29 -1.26 -0.66 0.00 0.00 0.00 0.00 54.91 52.69 1g9l h ALA 12 Cb 1.13 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 1g9l h ALA 12 CO 1.08 1.44 -0.57 0.54 0.00 0.00 0.00 179.25 181.74 1g9l s VAL 13 N -2.63 4.77 -0.14 0.00 0.11 -1.26 -5.07 120.40 116.18 1g9l s VAL 13 Ca -0.04 -0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 1g9l s VAL 13 Cb 0.08 -3.12 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 1g9l s VAL 13 CO 0.82 0.46 1.45 -0.13 -3.33 0.00 0.00 175.10 174.37 1g9l s ARG 14 N -1.41 4.15 -0.25 1.54 0.52 -1.26 -5.00 118.95 117.24 1g9l s ARG 14 Ca 0.19 1.83 -0.04 0.00 -0.52 0.00 0.00 55.73 57.18 1g9l s ARG 14 Cb -0.12 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.47 1g9l s ARG 14 CO 0.09 -0.85 -0.00 0.95 0.02 0.00 0.00 175.30 175.51 1g9l s THR 15 N 3.94 3.49 -0.19 0.02 -4.23 -1.26 -5.00 115.64 112.41 1g9l s THR 15 Ca 0.63 -0.66 -0.21 0.00 -1.18 0.00 0.00 61.69 60.28 1g9l s THR 15 Cb -0.26 -2.70 -0.18 0.00 1.34 0.00 0.00 72.50 70.70 1g9l s THR 15 CO 0.22 0.26 0.24 0.58 -0.54 0.00 0.00 174.62 175.39 1g9l h VAL 16 N 5.85 0.91 -2.37 2.29 2.07 -2.08 -3.46 116.25 119.45 1g9l h VAL 16 Ca -0.36 -2.04 -0.54 0.00 0.82 0.00 0.00 66.70 64.58 1g9l h VAL 16 Cb 1.14 2.08 0.03 0.00 -1.52 0.00 0.00 31.29 33.02 1g9l h VAL 16 CO 0.59 0.31 1.18 -2.65 0.02 0.00 0.00 177.57 177.02 1g9l n PRO 17 N -4.49 2.78 -1.16 1.57 -0.02 -1.26 -4.98 135.00 127.44 1g9l n PRO 17 Ca -0.26 1.02 -0.26 0.00 -2.02 0.00 0.00 63.50 61.98 1g9l n PRO 17 Cb 0.59 -2.94 0.21 0.00 -0.02 0.00 0.00 33.50 31.34 1g9l n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l n GLN 18 N 6.77 -2.38 -2.33 -0.52 10.64 -1.26 -4.88 117.38 123.42 1g9l n GLN 18 Ca 0.20 -1.64 -0.35 0.00 -1.83 0.00 0.00 57.00 53.37 1g9l n GLN 18 Cb 0.38 -1.38 -0.03 0.00 -0.86 0.00 0.00 30.24 28.35 1g9l n GLN 18 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1g9l s TYR 19 N -3.01 2.34 0.27 2.61 2.02 -1.26 -4.94 117.35 115.37 1g9l s TYR 19 Ca 0.64 -0.52 0.06 0.00 -0.37 0.00 0.00 57.07 56.89 1g9l s TYR 19 Cb -0.05 -4.39 -0.03 0.00 -0.40 0.00 0.00 41.96 37.10 1g9l s TYR 19 CO 0.48 -1.57 0.32 0.21 -1.57 0.00 0.00 175.55 173.42 1g9l s LYS 20 N 5.44 3.15 0.47 -0.62 2.20 -1.26 -5.13 119.74 123.99 1g9l s LYS 20 Ca 0.60 -0.95 -0.03 0.00 -0.36 0.00 0.00 55.97 55.23 1g9l s LYS 20 Cb 0.01 -2.73 0.10 0.00 -1.51 0.00 0.00 37.83 33.70 1g9l s LYS 20 CO 0.08 0.33 0.65 0.66 -0.36 0.00 0.00 175.35 176.70 1g9l n TYR 21 N -1.37 -3.40 -0.05 4.03 4.02 -1.26 -5.07 117.16 114.06 1g9l n TYR 21 Ca -0.06 -0.92 -0.03 0.00 -0.01 0.00 0.00 57.90 56.87 1g9l n TYR 21 Cb 0.58 -0.48 -0.01 0.00 -0.02 0.00 0.00 39.34 39.40 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1g9l h ALA 22 N -0.96 0.00 -2.27 -0.72 0.00 -2.00 -3.48 119.26 109.83 1g9l h ALA 22 Ca -0.21 -0.44 -0.48 0.00 0.00 0.00 0.00 54.91 53.79 1g9l h ALA 22 Cb 0.71 0.38 0.18 0.00 0.00 0.00 0.00 17.79 19.06 1g9l h ALA 22 CO 0.20 0.38 0.17 0.00 0.00 0.00 0.00 179.25 180.00 1g9l s ALA 23 N -2.79 0.91 -0.18 0.00 0.00 -1.26 -4.89 121.76 113.56 1g9l s ALA 23 Ca -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1g9l s ALA 23 Cb 0.02 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.93 1g9l s ALA 23 CO 0.16 -2.89 2.36 0.41 0.00 0.00 0.00 175.76 175.80 1g9l n GLY 24 N -0.32 3.42 3.76 0.00 0.00 -1.26 -4.89 105.19 105.91 1g9l n GLY 24 Ca 0.07 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1g9l n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g9l s VAL 25 N -1.01 5.39 -0.40 1.61 1.01 -1.26 -5.06 120.40 120.68 1g9l s VAL 25 Ca 0.30 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 1g9l s VAL 25 Cb 0.19 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 33.08 1g9l s VAL 25 CO -0.03 0.46 0.56 -0.13 0.00 0.00 0.00 175.10 175.96 1g9l s ARG 26 N 0.10 3.39 -0.46 2.72 0.52 -1.26 -4.94 118.95 119.02 1g9l s ARG 26 Ca 0.12 -0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 54.72 1g9l s ARG 26 Cb -0.12 -3.90 0.03 0.00 0.52 0.00 0.00 34.95 31.48 1g9l s ARG 26 CO 0.01 -0.84 0.97 -0.80 0.02 0.00 0.00 175.30 174.66 1g9l s ASN 27 N 1.87 6.54 -1.19 0.23 -0.87 -1.26 -4.96 114.94 115.29 1g9l s ASN 27 Ca 0.19 0.22 -0.22 0.00 -1.57 0.00 0.00 52.86 51.49 1g9l s ASN 27 Cb -0.15 -2.47 -0.04 0.00 -0.02 0.00 0.00 41.25 38.56 1g9l s ASN 27 CO 0.16 -1.09 1.87 -2.16 -2.57 0.00 0.00 177.10 173.31 1g9l s PRO 28 N 3.90 2.91 -1.16 -0.60 0.04 -1.26 -4.85 135.00 133.98 1g9l s PRO 28 Ca 0.40 -1.32 -0.06 0.00 0.04 0.00 0.00 61.00 60.05 1g9l s PRO 28 Cb -0.09 -5.31 0.25 0.00 0.04 0.00 0.00 34.50 29.38 1g9l s PRO 28 CO 0.27 -3.46 1.66 0.94 0.04 0.00 0.00 177.00 176.45 1g9l n GLN 29 N 8.37 4.15 -1.44 4.56 7.27 -1.26 -5.02 117.38 134.01 1g9l n GLN 29 Ca 0.45 -4.13 -0.30 0.00 0.07 0.00 0.00 57.00 53.09 1g9l n GLN 29 Cb 0.47 -2.68 0.09 0.00 2.41 0.00 0.00 30.24 30.53 1g9l n GLN 29 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1g9l s GLN 30 N -1.51 2.13 -0.90 3.69 2.00 -1.26 -4.99 119.66 118.82 1g9l s GLN 30 Ca 0.35 0.83 0.00 0.00 -2.00 0.00 0.00 55.36 54.54 1g9l s GLN 30 Cb 0.07 -1.91 0.30 0.00 0.80 0.00 0.00 33.01 32.28 1g9l s GLN 30 CO 0.06 -1.64 1.33 -2.39 -0.50 0.00 0.00 175.29 172.15 1g9l n HIS 31 N -3.47 2.93 -0.05 1.67 1.44 -1.26 -4.71 115.22 111.76 1g9l n HIS 31 Ca 0.07 -3.12 -0.17 0.00 -2.01 0.00 0.00 57.72 52.49 1g9l n HIS 31 Cb 0.55 -0.98 -0.14 0.00 0.12 0.00 0.00 29.99 29.55 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1g9l n LEU 32 N 0.67 2.13 0.12 2.39 7.94 -1.26 -4.27 117.00 124.71 1g9l n LEU 32 Ca 0.32 0.12 -0.01 0.00 -1.11 0.00 0.00 56.01 55.33 1g9l n LEU 32 Cb 0.34 -0.65 0.05 0.00 0.53 0.00 0.00 43.42 43.69 1g9l n LEU 32 CO 0.56 0.76 0.39 -0.55 -1.11 0.00 0.00 177.39 177.44 1g9l h ASN 33 N 0.03 0.00 -2.19 1.96 7.08 -2.03 -3.40 115.58 117.04 1g9l h ASN 33 Ca -0.46 0.00 -0.66 0.00 -3.08 0.00 0.00 56.30 52.10 1g9l h ASN 33 Cb 2.02 0.00 -0.15 0.00 -2.08 0.00 0.00 38.32 38.11 1g9l h ASN 33 CO 0.03 0.68 0.92 0.00 -2.08 0.00 0.00 177.43 176.98 1g9l s ALA 34 N -3.09 3.16 -0.11 4.14 0.00 -1.26 -5.01 121.76 119.59 1g9l s ALA 34 Ca 0.01 -2.44 -0.10 0.00 0.00 0.00 0.00 51.96 49.43 1g9l s ALA 34 Cb 0.10 -4.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 1g9l s ALA 34 CO 0.76 -3.08 0.21 -0.65 0.00 0.00 0.00 175.76 173.00 1g9l s GLN 35 N 3.52 3.76 0.00 0.00 -0.21 -1.26 -4.97 119.66 120.50 1g9l s GLN 35 Ca 0.33 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1g9l s GLN 35 Cb -0.06 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.68 1g9l s GLN 35 CO -0.05 0.61 0.00 -0.35 -2.12 0.00 0.00 175.29 173.38 1g9l n PRO 36 N 2.41 2.10 -2.21 2.91 -0.04 -1.26 -4.90 135.00 134.02 1g9l n PRO 36 Ca -0.17 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.89 1g9l n PRO 36 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1g9l n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l n GLN 37 N 0.00 4.86 -1.39 0.54 10.64 -1.26 -4.68 117.38 126.08 1g9l n GLN 37 Ca 0.00 -3.85 -0.31 0.00 -1.83 0.00 0.00 57.00 51.01 1g9l n GLN 37 Cb 0.00 -2.58 0.09 0.00 -0.86 0.00 0.00 30.24 26.88 1g9l n GLN 37 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1g9l n VAL 38 N 1.18 3.38 0.17 -0.39 0.24 -1.26 -4.49 118.33 117.16 1g9l n VAL 38 Ca 0.57 -2.98 0.09 0.00 -2.04 0.00 0.00 64.34 59.98 1g9l n VAL 38 Cb 0.25 -1.03 0.09 0.00 -1.47 0.00 0.00 33.84 31.68 1g9l n VAL 38 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1g9l h THR 39 N 1.17 0.22 -0.11 3.34 2.02 -2.01 -3.19 112.91 114.36 1g9l h THR 39 Ca 0.56 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1g9l h THR 39 Cb 1.21 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1g9l h THR 39 CO 1.36 0.12 0.00 0.80 0.37 0.00 0.00 175.52 178.18 1g9l n MET 40 N -3.04 1.59 -3.15 6.66 0.00 -1.26 -4.66 117.12 113.26 1g9l n MET 40 Ca 0.02 -0.88 0.05 0.00 0.00 0.00 0.00 57.70 56.88 1g9l n MET 40 Cb 0.60 -1.40 -0.00 0.00 0.00 0.00 0.00 33.22 32.41 1g9l n MET 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1g9l s GLN 41 N -1.87 0.41 -0.11 2.12 2.00 -1.20 -5.16 119.66 115.85 1g9l s GLN 41 Ca 0.34 0.43 -0.09 0.00 -2.00 0.00 0.00 55.36 54.04 1g9l s GLN 41 Cb 0.18 0.20 0.03 0.00 0.80 0.00 0.00 33.01 34.22 1g9l s GLN 41 CO 0.28 -0.73 0.27 1.14 -0.50 0.00 0.00 175.29 175.75 1g9l s GLN 42 N 2.88 0.30 -0.05 1.67 -2.07 -1.26 -4.84 119.66 116.30 1g9l s GLN 42 Ca 0.16 0.42 -0.35 0.00 -1.82 0.00 0.00 55.36 53.77 1g9l s GLN 42 Cb -0.08 0.10 -0.13 0.00 -1.09 0.00 0.00 33.01 31.82 1g9l s GLN 42 CO -0.24 -0.06 1.78 -2.30 -1.32 0.00 0.00 175.29 173.15 1g9l n PRO 43 N 3.20 2.02 -3.05 9.60 -0.02 -1.26 -4.93 135.00 140.56 1g9l n PRO 43 Ca -0.15 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1g9l n PRO 43 Cb 0.57 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l s ALA 44 N 3.22 3.56 -0.61 3.55 0.00 -1.26 -5.01 121.76 125.20 1g9l s ALA 44 Ca 0.90 -0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.10 1g9l s ALA 44 Cb -0.74 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.26 1g9l s ALA 44 CO 0.50 -1.04 1.08 0.08 0.00 0.00 0.00 175.76 176.38 1g9l s VAL 45 N 2.70 4.14 -0.82 0.00 1.01 -1.26 -4.92 120.40 121.26 1g9l s VAL 45 Ca 0.28 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1g9l s VAL 45 Cb -0.15 -4.69 0.34 0.00 0.00 0.00 0.00 36.38 31.88 1g9l s VAL 45 CO 0.11 -1.37 1.51 1.41 0.00 0.00 0.00 175.10 176.76 1g9l n HIS 46 N 8.15 3.27 -3.30 5.22 8.25 -1.26 -5.03 115.22 130.51 1g9l n HIS 46 Ca 0.03 -3.05 -0.34 0.00 -0.26 0.00 0.00 57.72 54.10 1g9l n HIS 46 Cb 0.48 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.65 1g9l n HIS 46 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1g9l s VAL 47 N -4.56 4.80 -2.49 1.59 0.11 -1.26 -4.98 120.40 113.62 1g9l s VAL 47 Ca 0.44 0.85 0.28 0.00 -2.93 0.00 0.00 61.98 60.63 1g9l s VAL 47 Cb 0.26 -3.72 0.54 0.00 -1.53 0.00 0.00 36.38 31.93 1g9l s VAL 47 CO -0.17 0.13 1.73 0.00 -3.33 0.00 0.00 175.10 173.47 1g9l n GLN 48 N 0.49 1.65 -0.37 1.54 10.64 -1.26 -3.93 117.38 126.15 1g9l n GLN 48 Ca -0.03 -0.97 0.04 0.00 -1.83 0.00 0.00 57.00 54.21 1g9l n GLN 48 Cb 0.52 -1.48 0.18 0.00 -0.86 0.00 0.00 30.24 28.60 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 1.18 1.85 4.00 2.61 0.00 -1.26 -4.90 105.19 108.68 1g9l n GLY 49 Ca 0.19 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.76 2.49 -0.17 1.61 -0.21 -1.25 -5.05 119.66 115.31 1g9l s GLN 50 Ca 0.25 -1.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.14 1g9l s GLN 50 Cb 0.18 -2.61 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 1g9l s GLN 50 CO 0.09 -0.67 1.25 -1.83 -2.12 0.00 0.00 175.29 172.01 1g9l s GLU 51 N -4.63 4.23 1.26 2.91 -1.05 -1.26 -5.02 118.70 115.15 1g9l s GLU 51 Ca 0.59 1.64 -0.17 0.00 -0.15 0.00 0.00 54.97 56.88 1g9l s GLU 51 Cb -0.09 -3.76 0.29 0.00 -0.44 0.00 0.00 34.13 30.14 1g9l s GLU 51 CO 0.37 -0.70 0.77 -2.30 0.95 0.00 0.00 175.26 174.35 1g9l n PRO 52 N 6.59 -3.16 -2.82 -4.83 -0.02 -1.26 -4.97 135.00 124.53 1g9l n PRO 52 Ca 0.14 -0.91 -0.37 0.00 -2.02 0.00 0.00 63.50 60.33 1g9l n PRO 52 Cb 0.45 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1g9l s LEU 53 N -6.13 4.38 0.00 2.45 2.96 -1.26 -4.89 118.68 116.19 1g9l s LEU 53 Ca 0.64 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 1g9l s LEU 53 Cb -0.19 -3.90 0.00 0.00 0.50 0.00 0.00 46.19 42.60 1g9l s LEU 53 CO 0.61 -0.02 0.00 0.41 -1.32 0.00 0.00 176.35 176.03 1g9l n THR 54 N 0.71 0.00 -0.25 3.68 -1.04 -1.26 -4.92 114.28 111.20 1g9l n THR 54 Ca 0.01 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.08 1g9l n THR 54 Cb 0.50 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 69.32 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 1.65 -0.60 2.41 0.00 -1.66 -1.07 119.26 121.99 1g9l h ALA 55 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1g9l h ALA 55 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1g9l h ALA 55 CO 0.00 0.21 0.35 0.77 0.00 0.00 0.00 179.25 180.58 1g9l h SER 56 N 0.86 0.73 -0.74 0.00 0.02 -1.89 -0.44 113.55 112.09 1g9l h SER 56 Ca 0.37 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1g9l h SER 56 Cb 0.32 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1g9l h SER 56 CO -0.14 0.59 0.36 0.24 -1.14 0.00 0.00 176.83 176.74 1g9l h MET 57 N 0.81 1.06 -0.41 3.45 2.07 -1.59 -1.98 114.93 118.34 1g9l h MET 57 Ca 0.21 -0.15 0.01 0.00 -2.07 0.00 0.00 59.70 57.71 1g9l h MET 57 Cb 0.00 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.51 1g9l h MET 57 CO -0.04 0.82 0.25 -0.07 1.07 0.00 0.00 176.91 178.94 1g9l h LEU 58 N 1.03 0.41 -0.36 1.22 4.07 -0.68 -0.98 115.31 120.02 1g9l h LEU 58 Ca 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1g9l h LEU 58 Cb 0.11 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1g9l h LEU 58 CO -0.03 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 177.63 1g9l n ALA 59 N -2.24 1.60 0.93 1.53 0.00 -0.23 -1.99 120.51 120.12 1g9l n ALA 59 Ca 0.01 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1g9l n ALA 59 Cb 0.05 -1.29 0.54 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.84 0.00 -3.90 0.00 2.88 -0.37 -4.66 113.62 105.72 1g9l n SER 60 Ca 0.02 0.32 -0.21 0.00 -1.33 0.00 0.00 58.87 57.67 1g9l n SER 60 Cb 0.18 -0.43 -0.16 0.00 -0.75 0.00 0.00 64.21 63.04 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l s ALA 61 N -2.86 0.78 0.75 -1.46 0.00 -0.84 -5.10 121.76 113.03 1g9l s ALA 61 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1g9l s ALA 61 Cb 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1g9l s ALA 61 CO 0.42 -0.04 0.00 -2.30 0.00 0.00 0.00 175.76 173.84 1g9l n PRO 62 N 4.12 0.38 0.14 0.00 -0.02 -1.26 -3.87 135.00 134.48 1g9l n PRO 62 Ca -0.23 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.26 1g9l n PRO 62 Cb 0.51 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.06 1g9l n PRO 62 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1g9l n PRO 63 N -0.67 0.03 0.00 0.52 -0.02 -1.26 -2.55 135.00 131.05 1g9l n PRO 63 Ca 0.00 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1g9l n PRO 63 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1g9l n PRO 63 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1g9l n GLN 64 N -1.69 0.00 -0.24 -0.52 6.02 -1.26 -3.76 117.38 115.93 1g9l n GLN 64 Ca -0.00 0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.15 1g9l n GLN 64 Cb 0.61 -0.56 0.22 0.00 1.02 0.00 0.00 30.24 31.53 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 -0.16 2.60 0.26 -1.09 -0.58 -1.18 -4.47 120.64 116.02 1g9l n GLU 65 Ca 0.00 -2.25 0.17 0.00 -0.42 0.00 0.00 57.16 54.66 1g9l n GLU 65 Cb 0.00 -1.41 0.91 0.00 -0.57 0.00 0.00 31.44 30.36 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1g9l h GLN 66 N 3.23 0.00 0.00 3.49 4.15 -1.58 -1.61 115.11 122.79 1g9l h GLN 66 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1g9l h GLN 66 Cb 0.85 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.43 1g9l h GLN 66 CO 0.00 0.00 -0.52 0.36 -1.93 0.00 0.00 178.83 176.74 1g9l n LYS 67 N -3.67 0.70 0.08 1.69 -0.00 -1.26 -4.85 118.16 110.85 1g9l n LYS 67 Ca -0.01 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 56.10 1g9l n LYS 67 Cb 0.22 -0.88 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1g9l n GLN 68 N -0.49 0.00 0.00 -1.58 7.27 -0.68 -4.82 117.38 117.08 1g9l n GLN 68 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1g9l n GLN 68 Cb 0.80 -0.24 0.00 0.00 2.41 0.00 0.00 30.24 33.21 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 -3.35 0.70 0.02 3.69 0.00 -0.74 -2.45 117.12 114.98 1g9l n MET 69 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 1g9l n MET 69 Cb 0.05 -1.28 -0.14 0.00 0.00 0.00 0.00 33.22 31.85 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 0.24 0.43 -2.27 3.17 -0.00 -1.88 -3.24 115.31 111.77 1g9l h LEU 70 Ca 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.97 1g9l h LEU 70 Cb 0.28 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1g9l h LEU 70 CO 0.00 1.81 -0.17 0.61 -0.00 0.00 0.00 178.44 180.68 1g9l n GLY 71 N 1.95 1.54 0.00 0.17 0.00 -1.18 -4.51 105.19 103.16 1g9l n GLY 71 Ca -0.30 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1g9l n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1g9l n GLU 72 N -0.51 2.37 0.00 1.61 0.28 -1.02 -3.33 120.64 120.04 1g9l n GLU 72 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1g9l n GLU 72 Cb 0.57 -0.21 0.00 0.00 1.43 0.00 0.00 31.44 33.23 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1g9l n ARG 73 N -0.32 3.58 0.05 3.44 0.00 -1.26 -4.66 116.66 117.49 1g9l n ARG 73 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1g9l n ARG 73 Cb 0.00 -0.53 0.48 0.00 0.00 0.00 0.00 32.46 32.41 1g9l n ARG 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1g9l n LEU 74 N -0.80 0.34 -0.17 6.15 4.77 -1.22 -4.01 117.00 122.06 1g9l n LEU 74 Ca 0.00 0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 56.46 1g9l n LEU 74 Cb 0.00 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1g9l n LEU 74 CO 0.00 -0.18 0.63 0.15 -1.33 0.00 0.00 177.39 176.67 1g9l h PHE 75 N 0.00 -0.92 0.00 -1.77 3.57 -1.90 0.37 116.94 116.30 1g9l h PHE 75 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1g9l h PHE 75 Cb 0.51 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1g9l h PHE 75 CO 0.00 -0.38 0.00 -1.35 -2.23 0.00 0.00 178.31 174.35 1g9l h PRO 76 N -0.20 0.00 0.00 6.41 0.11 -1.95 -2.00 132.00 134.37 1g9l h PRO 76 Ca 0.21 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.06 1g9l h PRO 76 Cb 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.61 1g9l h PRO 76 CO -0.62 0.00 -1.81 1.28 -0.21 0.00 0.00 178.00 176.64 1g9l n LEU 77 N -2.39 0.60 -0.10 2.35 7.99 0.11 -4.27 117.00 121.29 1g9l n LEU 77 Ca -0.01 0.27 -0.14 0.00 -0.01 0.00 0.00 56.01 56.13 1g9l n LEU 77 Cb 0.09 0.22 -0.03 0.00 -0.11 0.00 0.00 43.42 43.58 1g9l n LEU 77 CO 0.14 0.32 0.49 0.40 -1.51 0.00 0.00 177.39 177.22 1g9l h ILE 78 N 0.00 1.27 0.00 -0.08 1.08 -0.20 -2.60 117.51 116.99 1g9l h ILE 78 Ca -0.30 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 1g9l h ILE 78 Cb 1.88 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 37.16 1g9l h ILE 78 CO 0.05 0.54 0.28 1.56 -0.69 0.00 0.00 178.15 179.89 1g9l h GLN 79 N 0.70 0.00 0.15 2.37 4.20 -1.71 0.44 115.11 121.26 1g9l h GLN 79 Ca 0.04 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.43 1g9l h GLN 79 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1g9l h GLN 79 CO 0.11 0.00 -1.57 0.00 -0.67 0.00 0.00 178.83 176.70 1g9l h ALA 80 N 1.33 0.18 -0.03 3.87 0.00 -1.67 -3.27 119.26 119.68 1g9l h ALA 80 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 54.91 53.62 1g9l h ALA 80 Cb 0.55 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1g9l h ALA 80 CO 0.00 1.05 -0.88 0.52 0.00 0.00 0.00 179.25 179.94 1g9l h MET 81 N 0.09 0.44 -5.63 0.00 2.86 -0.21 -3.46 114.93 109.01 1g9l h MET 81 Ca -0.26 -0.44 -0.49 0.00 -2.06 0.00 0.00 59.70 56.45 1g9l h MET 81 Cb 2.05 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 33.69 1g9l h MET 81 CO 0.18 1.09 -0.71 -1.01 1.06 0.00 0.00 176.91 177.52 1g9l s HIS 82 N -3.38 1.89 -0.69 -0.22 4.02 -0.45 -5.04 115.29 111.43 1g9l s HIS 82 Ca -0.06 -0.59 -0.24 0.00 1.02 0.00 0.00 55.06 55.19 1g9l s HIS 82 Cb 0.09 -0.96 -0.20 0.00 -1.02 0.00 0.00 32.58 30.49 1g9l s HIS 82 CO 0.86 0.38 1.86 -0.35 1.02 0.00 0.00 174.74 178.52 1g9l n PRO 83 N -0.50 1.12 -4.19 8.40 -0.04 -1.26 -4.14 135.00 134.39 1g9l n PRO 83 Ca -0.07 -1.76 -0.35 0.00 -0.04 0.00 0.00 63.50 61.29 1g9l n PRO 83 Cb 0.62 -3.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 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 6.67 -1.34 -0.34 0.52 -2.24 -1.23 -4.82 114.28 111.50 1g9l n THR 84 Ca 0.48 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 62.27 1g9l n THR 84 Cb 0.42 -1.82 0.32 0.00 -2.10 0.00 0.00 70.33 67.15 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 -4.40 4.02 -0.62 3.22 4.32 -1.26 -4.50 117.00 117.79 1g9l n LEU 85 Ca 0.01 -2.01 0.00 0.00 -0.02 0.00 0.00 56.01 53.98 1g9l n LEU 85 Cb 0.53 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1g9l n LEU 85 CO 0.84 0.92 0.18 0.00 -1.22 0.00 0.00 177.39 178.11 1g9l n ALA 86 N 1.49 1.93 0.24 -1.18 0.00 -1.26 -4.02 120.51 117.71 1g9l n ALA 86 Ca 0.24 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.84 1g9l n ALA 86 Cb 0.66 -1.00 0.84 0.00 0.00 0.00 0.00 19.45 19.95 1g9l n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1g9l h GLY 87 N 3.30 0.00 -1.54 0.00 0.00 -1.98 -3.28 103.07 99.57 1g9l h GLY 87 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1g9l h GLY 87 CO 0.00 0.00 -0.16 1.17 0.00 0.00 0.00 176.54 177.55 1g9l n LYS 88 N -2.60 0.00 0.00 4.80 4.81 -1.26 -5.01 118.16 118.90 1g9l n LYS 88 Ca -0.02 -0.55 0.00 0.00 -0.87 0.00 0.00 58.31 56.87 1g9l n LYS 88 Cb 0.09 0.49 0.00 0.00 0.02 0.00 0.00 35.03 35.63 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 -0.32 3.15 5.41 -1.24 -3.54 119.36 122.82 1g9l n ILE 89 Ca -0.15 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.68 1g9l n ILE 89 Cb 0.50 -0.02 0.25 0.00 -0.71 0.00 0.00 39.64 39.66 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 0.73 -0.69 1.39 2.02 -1.90 0.40 112.91 114.87 1g9l h THR 90 Ca 0.00 -0.23 0.16 0.00 0.77 0.00 0.00 66.41 67.11 1g9l h THR 90 Cb 0.00 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.36 1g9l h THR 90 CO 0.00 0.12 0.47 1.23 0.37 0.00 0.00 175.52 177.72 1g9l h GLY 91 N 0.68 0.39 1.43 2.16 0.00 -1.79 0.31 103.07 106.25 1g9l h GLY 91 Ca 0.50 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1g9l h GLY 91 CO -0.36 0.03 -0.77 1.98 0.00 0.00 0.00 176.54 177.42 1g9l h MET 92 N 0.22 0.00 0.00 4.80 1.85 -0.32 -3.22 114.93 118.27 1g9l h MET 92 Ca 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.42 1g9l h MET 92 Cb 1.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.03 1g9l h MET 92 CO -0.07 0.17 0.00 1.28 -0.40 0.00 0.00 176.91 177.89 1g9l n LEU 93 N -2.94 0.00 -1.87 3.39 7.99 0.11 0.78 117.00 124.46 1g9l n LEU 93 Ca -0.01 0.50 -0.10 0.00 -0.01 0.00 0.00 56.01 56.39 1g9l n LEU 93 Cb 0.65 -0.50 0.25 0.00 -0.11 0.00 0.00 43.42 43.71 1g9l n LEU 93 CO 0.39 -0.50 1.04 0.18 -1.51 0.00 0.00 177.39 177.00 1g9l n LEU 94 N -1.50 5.85 0.00 2.23 7.99 -1.18 -3.72 117.00 126.67 1g9l n LEU 94 Ca 0.00 -3.41 0.00 0.00 -0.01 0.00 0.00 56.01 52.59 1g9l n LEU 94 Cb 0.00 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 42.57 1g9l n LEU 94 CO 0.00 0.94 0.00 -1.84 -1.51 0.00 0.00 177.39 174.98 1g9l n GLU 95 N -0.62 0.00 0.00 3.23 0.28 0.23 -5.09 120.64 118.68 1g9l n GLU 95 Ca 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1g9l n GLU 95 Cb 1.39 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.26 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 -4.62 119.36 118.69 1g9l n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g9l n ILE 96 Cb 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 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 -4.75 116.55 119.86 1g9l n ASP 97 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1g9l n ASP 97 Cb 0.00 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 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 -1.35 0.00 0.15 1.67 5.03 -1.26 -4.69 115.26 114.80 1g9l n ASN 98 Ca -0.00 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.48 1g9l n ASN 98 Cb 0.16 -0.01 0.15 0.00 -1.02 0.00 0.00 39.78 39.05 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1g9l h SER 99 N 0.00 0.00 0.18 6.41 0.02 -1.97 -2.69 113.55 115.51 1g9l h SER 99 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1g9l h SER 99 Cb 0.00 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.57 1g9l h SER 99 CO 0.00 0.49 -1.24 -0.33 -1.14 0.00 0.00 176.83 174.61 1g9l h GLU 100 N 0.00 0.59 0.00 3.45 3.07 -1.91 -1.01 114.58 118.76 1g9l h GLU 100 Ca -0.00 -0.79 -0.01 0.00 -0.50 0.00 0.00 59.36 58.06 1g9l h GLU 100 Cb 1.21 0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 29.38 1g9l h GLU 100 CO 0.06 1.36 -0.02 1.37 -1.40 0.00 0.00 179.01 180.38 1g9l h LEU 101 N 0.26 0.00 0.00 1.33 8.10 -1.62 0.42 115.31 123.79 1g9l h LEU 101 Ca -0.18 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.65 1g9l h LEU 101 Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.11 1g9l h LEU 101 CO 0.23 0.02 -0.95 -0.07 -4.11 0.00 0.00 178.44 173.57 1g9l h LEU 102 N 0.00 0.00 -0.90 0.17 3.38 -1.39 -3.35 115.31 113.22 1g9l h LEU 102 Ca -0.00 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1g9l h LEU 102 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1g9l h LEU 102 CO 0.00 1.26 0.25 -0.74 0.09 0.00 0.00 178.44 179.30 1g9l h HIS 103 N -1.00 1.07 -0.67 1.13 2.76 -1.04 -2.37 115.15 115.03 1g9l h HIS 103 Ca -0.23 -0.09 0.08 0.00 -2.20 0.00 0.00 60.37 57.93 1g9l h HIS 103 Cb 1.07 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 1g9l h HIS 103 CO 0.05 0.83 0.44 0.00 -1.30 0.00 0.00 177.93 177.95 1g9l h MET 104 N 1.02 0.57 0.00 5.26 -0.00 -1.11 0.39 114.93 121.07 1g9l h MET 104 Ca 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.90 1g9l h MET 104 Cb 0.24 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1g9l h MET 104 CO -0.01 0.38 -0.35 1.28 -0.00 0.00 0.00 176.91 178.20 1g9l n LEU 105 N -4.48 0.36 -0.25 -0.10 4.77 -0.98 -3.31 117.00 113.00 1g9l n LEU 105 Ca 0.10 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1g9l n LEU 105 Cb 0.30 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1g9l n LEU 105 CO 0.33 0.08 0.22 -1.84 -1.33 0.00 0.00 177.39 174.86 1g9l n GLU 106 N -1.52 1.99 -3.76 3.23 -0.00 0.38 -4.81 120.64 116.15 1g9l n GLU 106 Ca 0.06 -0.64 -0.14 0.00 -0.00 0.00 0.00 57.16 56.43 1g9l n GLU 106 Cb 0.34 -1.12 -0.15 0.00 -0.00 0.00 0.00 31.44 30.51 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1g9l s SER 107 N -1.45 -0.03 0.00 -1.84 0.15 0.11 -5.01 113.70 105.64 1g9l s SER 107 Ca 0.09 0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.96 1g9l s SER 107 Cb 0.09 0.07 0.23 0.00 -1.71 0.00 0.00 66.02 64.70 1g9l s SER 107 CO 0.28 -0.14 0.60 -2.65 1.20 0.00 0.00 173.24 172.53 1g9l n PRO 108 N 4.20 0.32 0.00 5.44 -0.02 -1.26 -1.93 135.00 141.76 1g9l n PRO 108 Ca -0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1g9l n PRO 108 Cb 0.51 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1g9l n PRO 108 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g9l n GLU 109 N -0.69 2.71 -0.21 -0.52 2.13 -1.26 -4.66 120.64 118.13 1g9l n GLU 109 Ca 0.03 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.78 1g9l n GLU 109 Cb 0.01 -0.71 0.03 0.00 0.27 0.00 0.00 31.44 31.04 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 0.82 -1.05 4.31 0.02 -1.62 0.58 113.55 116.61 1g9l h SER 110 Ca 0.00 -0.17 0.30 0.00 -0.84 0.00 0.00 61.79 61.09 1g9l h SER 110 Cb 0.18 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1g9l h SER 110 CO 0.00 0.76 0.84 0.25 -1.14 0.00 0.00 176.83 177.54 1g9l h LEU 111 N 0.83 0.00 0.00 5.07 7.12 -1.58 0.43 115.31 127.18 1g9l h LEU 111 Ca 0.20 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1g9l h LEU 111 Cb 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1g9l h LEU 111 CO -0.02 0.00 -0.27 0.54 -0.13 0.00 0.00 178.44 178.56 1g9l n ARG 112 N -3.96 0.17 -0.47 1.25 1.74 0.22 -2.83 116.66 112.78 1g9l n ARG 112 Ca 0.22 0.18 0.42 0.00 -0.77 0.00 0.00 57.85 57.91 1g9l n ARG 112 Cb 1.19 -0.92 0.77 0.00 -1.02 0.00 0.00 32.46 32.48 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 -0.34 0.02 0.19 0.55 0.87 0.19 0.91 113.55 115.95 1g9l h SER 113 Ca 0.00 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.30 1g9l h SER 113 Cb 0.27 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1g9l h SER 113 CO 0.00 -0.00 -1.21 0.11 -0.53 0.00 0.00 176.83 175.20 1g9l h LYS 114 N 0.01 0.41 0.79 2.24 1.79 -0.33 -2.97 116.57 118.51 1g9l h LYS 114 Ca 0.72 -0.70 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1g9l h LYS 114 Cb 2.83 0.26 0.01 0.00 -1.58 0.00 0.00 32.23 33.75 1g9l h LYS 114 CO -0.03 1.33 -0.38 0.28 -1.08 0.00 0.00 179.45 179.58 1g9l h VAL 115 N -0.12 0.00 -1.00 0.50 2.07 0.80 0.53 116.25 119.03 1g9l h VAL 115 Ca -0.22 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.28 1g9l h VAL 115 Cb 1.91 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 1g9l h VAL 115 CO 0.20 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 177.63 1g9l h ASP 116 N -1.27 0.76 0.34 0.57 3.58 -0.65 0.36 116.42 120.11 1g9l h ASP 116 Ca -0.11 0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 1g9l h ASP 116 Cb 0.81 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1g9l h ASP 116 CO 0.18 0.27 -0.70 -0.33 -2.88 0.00 0.00 179.24 175.78 1g9l h GLU 117 N 0.74 0.32 0.00 0.28 5.08 -1.44 -2.81 114.58 116.75 1g9l h GLU 117 Ca 0.57 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1g9l h GLU 117 Cb 0.92 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1g9l h GLU 117 CO -0.37 0.89 -0.26 0.00 -1.00 0.00 0.00 179.01 178.27 1g9l h ALA 118 N 1.04 1.31 -0.25 3.43 0.00 0.38 -2.39 119.26 122.78 1g9l h ALA 118 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1g9l h ALA 118 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1g9l h ALA 118 CO 0.11 0.33 0.15 0.28 0.00 0.00 0.00 179.25 180.13 1g9l h VAL 119 N 0.00 1.08 -0.17 0.00 2.07 -0.41 1.00 116.25 119.82 1g9l h VAL 119 Ca -0.00 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1g9l h VAL 119 Cb 0.56 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1g9l h VAL 119 CO 0.03 0.08 0.19 0.00 0.02 0.00 0.00 177.57 177.89 1g9l h ALA 120 N 1.06 1.82 0.02 1.67 0.00 -1.41 0.26 119.26 122.69 1g9l h ALA 120 Ca 0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 120 Cb -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1g9l h ALA 120 CO -0.02 -0.28 -1.50 0.28 0.00 0.00 0.00 179.25 177.74 1g9l h VAL 121 N 0.00 1.12 -0.21 0.00 2.07 -0.64 -3.11 116.25 115.49 1g9l h VAL 121 Ca 0.08 -2.90 -0.21 0.00 0.82 0.00 0.00 66.70 64.49 1g9l h VAL 121 Cb 0.45 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1g9l h VAL 121 CO -0.00 0.69 -0.69 0.25 0.02 0.00 0.00 177.57 177.84 1g9l h LEU 122 N 0.01 0.96 -0.87 2.57 5.85 0.34 0.23 115.31 124.39 1g9l h LEU 122 Ca -0.21 -0.59 -0.06 0.00 0.84 0.00 0.00 57.88 57.86 1g9l h LEU 122 Cb 1.95 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 1g9l h LEU 122 CO 0.10 1.39 0.17 1.56 -0.34 0.00 0.00 178.44 181.33 1g9l h GLN 123 N 0.59 1.01 0.00 1.25 1.08 -0.74 -2.46 115.11 115.84 1g9l h GLN 123 Ca -0.03 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1g9l h GLN 123 Cb 1.31 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1g9l h GLN 123 CO 0.15 0.88 0.00 0.00 -0.95 0.00 0.00 178.83 178.91 1g9l n ALA 124 N -2.46 -0.05 -0.35 3.87 0.00 -1.17 -3.32 120.51 117.02 1g9l n ALA 124 Ca 0.05 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.78 1g9l n ALA 124 Cb 0.24 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.84 0.35 0.00 0.00 -0.00 0.06 0.82 115.22 115.61 1g9l n HIS 125 Ca 0.00 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1g9l n HIS 125 Cb 0.00 -0.73 0.00 0.00 -0.12 0.00 0.00 29.99 29.14 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 -3.83 0.00 -0.90 1.57 6.02 -0.93 -4.21 117.38 115.10 1g9l n GLN 126 Ca 0.28 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.17 1g9l n GLN 126 Cb 1.12 -0.84 0.23 0.00 1.02 0.00 0.00 30.24 31.77 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n ALA 127 N -0.69 4.48 -2.06 -1.58 0.00 -0.60 -4.88 120.51 115.18 1g9l n ALA 127 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.38 1g9l n ALA 127 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.28 2.06 -0.48 0.00 2.85 0.24 -4.95 118.16 117.60 1g9l n LYS 128 Ca 0.38 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.56 1g9l n LYS 128 Cb 1.29 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 35.75 1g9l n LYS 128 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1g9l n GLU 129 N -0.31 1.56 0.00 -1.58 2.13 -1.26 -4.58 120.64 116.60 1g9l n GLU 129 Ca 0.00 -1.20 0.00 0.00 0.66 0.00 0.00 57.16 56.62 1g9l n GLU 129 Cb 0.00 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g9l n ALA 130 N -0.13 -0.39 -1.40 4.31 0.00 -1.26 -4.79 120.51 116.85 1g9l n ALA 130 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1g9l n ALA 130 Cb 0.95 0.03 0.15 0.00 0.00 0.00 0.00 19.45 20.58 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 131 N -2.89 1.46 -0.55 0.00 0.00 -1.26 -4.94 121.76 113.57 1g9l s ALA 131 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1g9l s ALA 131 Cb 0.00 -3.06 0.24 0.00 0.00 0.00 0.00 23.12 20.30 1g9l s ALA 131 CO 0.00 -2.50 2.27 0.00 0.00 0.00 0.00 175.76 175.53 1g9l n GLN 132 N -3.92 2.38 0.46 0.00 0.00 -1.26 -4.66 117.38 110.37 1g9l n GLN 132 Ca 0.06 -2.59 -0.19 0.00 0.00 0.00 0.00 57.00 54.28 1g9l n GLN 132 Cb 0.58 -2.06 -0.09 0.00 0.00 0.00 0.00 30.24 28.67 1g9l n GLN 132 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1g9l h LYS 133 N 2.39 -1.11 -6.18 2.61 1.57 -1.94 -3.43 116.57 110.48 1g9l h LYS 133 Ca 0.45 0.08 -0.58 0.00 -1.87 0.00 0.00 60.65 58.72 1g9l h LYS 133 Cb 0.65 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1g9l h LYS 133 CO 1.12 -0.73 -0.11 0.00 -0.57 0.00 0.00 179.45 179.15 1g9l s ALA 134 N -5.90 3.63 -0.28 3.86 0.00 -1.26 -4.98 121.76 116.83 1g9l s ALA 134 Ca -0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 1g9l s ALA 134 Cb 0.02 -2.50 0.09 0.00 0.00 0.00 0.00 23.12 20.73 1g9l s ALA 134 CO 0.59 0.45 2.41 0.28 0.00 0.00 0.00 175.76 179.49 1g9l n VAL 135 N 1.44 2.87 -2.31 0.00 0.31 -1.26 -4.90 118.33 114.47 1g9l n VAL 135 Ca -0.10 -1.88 -0.41 0.00 -0.01 0.00 0.00 64.34 61.94 1g9l n VAL 135 Cb 0.52 -1.50 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 1g9l n VAL 135 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1g9l s ASN 136 N 0.65 5.94 0.71 4.52 -0.87 -1.26 -4.99 114.94 119.63 1g9l s ASN 136 Ca 0.39 0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.98 1g9l s ASN 136 Cb 0.26 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.95 1g9l s ASN 136 CO -0.07 -1.86 0.00 -1.20 -2.57 0.00 0.00 177.10 171.41 1g9l n SER 137 N 10.26 0.00 -4.73 -1.22 7.64 -1.26 -5.00 113.62 119.30 1g9l n SER 137 Ca 0.14 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.62 1g9l n SER 137 Cb 0.50 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 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 -3.45 3.70 0.00 -0.43 0.00 -1.26 -5.02 121.76 115.31 1g9l s ALA 138 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1g9l s ALA 138 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1g9l s ALA 138 CO 0.00 -0.78 0.00 0.25 0.00 0.00 0.00 175.76 175.23 1g9l n THR 139 N 3.03 0.00 0.50 0.00 -2.24 -1.26 -5.05 114.28 109.26 1g9l n THR 139 Ca 0.10 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1g9l n THR 139 Cb 0.39 -0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 67.51 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g9l n GLY 140 N 5.00 -0.90 0.08 3.38 0.00 -1.26 -4.40 105.19 107.09 1g9l n GLY 140 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1g9l n GLY 140 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1g9l h VAL 141 N 0.00 1.25 0.00 1.61 2.07 -1.97 -3.34 116.25 115.87 1g9l h VAL 141 Ca 0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1g9l h VAL 141 Cb 0.68 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1g9l h VAL 141 CO 0.00 0.42 0.02 -2.65 0.02 0.00 0.00 177.57 175.38 1g9l n PRO 142 N -4.54 0.07 0.00 1.57 -0.02 -1.26 -3.27 135.00 127.56 1g9l n PRO 142 Ca -0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1g9l n PRO 142 Cb 0.54 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1g9l n PRO 142 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1g9l n THR 143 N -1.89 0.00 -1.39 3.45 -1.04 -1.25 -5.06 114.28 107.10 1g9l n THR 143 Ca -0.01 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1g9l n THR 143 Cb 0.03 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1g9l n THR 143 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76