#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l h PRO 2 N 0.00 0.00 -5.29 1.61 0.11 -2.13 -3.39 132.00 122.91 1g9l h PRO 2 Ca 0.00 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.50 1g9l h PRO 2 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 1g9l h PRO 2 CO 0.00 0.00 -0.35 -1.17 -0.21 0.00 0.00 178.00 176.27 1g9l s LEU 3 N -8.59 4.15 0.35 2.35 2.96 -1.26 -5.08 118.68 113.56 1g9l s LEU 3 Ca -0.05 0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 1g9l s LEU 3 Cb 0.18 -2.32 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 1g9l s LEU 3 CO 0.68 0.01 0.71 -0.83 -1.32 0.00 0.00 176.35 175.60 1g9l s GLY 4 N 0.95 2.09 -0.54 7.98 0.00 -1.26 -5.04 107.32 111.51 1g9l s GLY 4 Ca 0.14 -0.17 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 1g9l s GLY 4 CO 0.06 0.01 0.54 -0.56 0.00 0.00 0.00 173.10 173.15 1g9l s SER 5 N -2.79 6.18 -0.56 1.64 0.01 -1.26 -4.64 113.70 112.28 1g9l s SER 5 Ca 0.51 -1.54 -0.13 0.00 1.31 0.00 0.00 55.95 56.11 1g9l s SER 5 Cb -0.10 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.91 1g9l s SER 5 CO 0.26 -0.89 0.64 0.00 0.41 0.00 0.00 173.24 173.66 1g9l n ALA 6 N 5.60 -2.76 -2.66 1.44 0.00 -1.26 -4.89 120.51 115.98 1g9l n ALA 6 Ca -0.12 0.61 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1g9l n ALA 6 Cb 0.42 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 7 N -2.62 2.96 0.00 0.00 0.00 -1.26 -4.92 121.76 115.92 1g9l s ALA 7 Ca 0.17 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1g9l s ALA 7 Cb -0.04 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1g9l s ALA 7 CO 0.79 -2.89 0.00 0.00 0.00 0.00 0.00 175.76 173.65 1g9l n ALA 8 N 8.43 0.00 -2.85 0.00 0.00 -1.26 -4.55 120.51 120.28 1g9l n ALA 8 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1g9l n ALA 8 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 1.62 2.59 -3.71 0.00 0.00 -1.26 -5.08 120.51 114.67 1g9l n ALA 9 Ca 0.00 -3.02 -0.13 0.00 0.00 0.00 0.00 53.44 50.29 1g9l n ALA 9 Cb 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1g9l n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1g9l s THR 10 N -2.50 -0.14 0.88 0.00 2.01 -1.26 -4.26 115.64 110.38 1g9l s THR 10 Ca 0.31 0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 1g9l s THR 10 Cb 0.41 -0.37 0.21 0.00 0.01 0.00 0.00 72.50 72.76 1g9l s THR 10 CO -0.01 0.08 0.95 -0.81 -0.69 0.00 0.00 174.62 174.13 1g9l n PRO 11 N 4.54 -1.96 0.19 4.92 -0.04 -1.26 -5.05 135.00 136.35 1g9l n PRO 11 Ca -0.20 -1.49 0.13 0.00 -0.04 0.00 0.00 63.50 61.90 1g9l n PRO 11 Cb 0.52 -1.20 0.30 0.00 -0.04 0.00 0.00 33.50 33.08 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l h ALA 12 N -2.25 1.00 -2.76 0.55 0.00 -2.03 -3.44 119.26 110.33 1g9l h ALA 12 Ca -0.33 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 1g9l h ALA 12 Cb 0.97 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1g9l h ALA 12 CO 0.22 0.00 -0.19 0.54 0.00 0.00 0.00 179.25 179.82 1g9l s VAL 13 N -3.23 5.07 -0.14 0.00 0.11 -1.26 -4.98 120.40 115.97 1g9l s VAL 13 Ca 0.07 0.86 0.19 0.00 -2.93 0.00 0.00 61.98 60.17 1g9l s VAL 13 Cb 0.07 -3.73 -0.28 0.00 -1.53 0.00 0.00 36.38 30.91 1g9l s VAL 13 CO 0.63 0.51 0.23 0.54 -3.33 0.00 0.00 175.10 173.67 1g9l n ARG 14 N 2.33 0.68 -3.13 1.54 1.74 -1.26 -4.62 116.66 113.94 1g9l n ARG 14 Ca -0.12 -0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.50 1g9l n ARG 14 Cb 0.52 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 1g9l n ARG 14 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1g9l n THR 15 N -2.58 4.46 -3.71 0.55 5.66 -1.26 -5.03 114.28 112.37 1g9l n THR 15 Ca -0.23 -5.73 -0.35 0.00 -3.05 0.00 0.00 64.05 54.69 1g9l n THR 15 Cb 0.95 -2.08 -0.08 0.00 -1.55 0.00 0.00 70.33 67.57 1g9l n THR 15 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1g9l s VAL 16 N -2.72 5.40 -0.25 1.08 0.11 -1.26 -5.04 120.40 117.71 1g9l s VAL 16 Ca 0.34 0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 59.35 1g9l s VAL 16 Cb 0.08 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1g9l s VAL 16 CO 0.07 0.44 1.90 -2.16 -3.33 0.00 0.00 175.10 172.03 1g9l s PRO 17 N 0.28 3.42 -0.11 1.54 0.04 -1.26 -4.96 135.00 133.94 1g9l s PRO 17 Ca 0.10 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 1g9l s PRO 17 Cb -0.11 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1g9l s PRO 17 CO -0.01 -1.76 0.87 -0.65 0.04 0.00 0.00 177.00 175.49 1g9l s GLN 18 N 5.59 4.39 0.69 4.56 -0.21 -1.26 -5.05 119.66 128.37 1g9l s GLN 18 Ca 0.85 1.13 -0.12 0.00 0.02 0.00 0.00 55.36 57.25 1g9l s GLN 18 Cb -0.27 -3.53 0.17 0.00 1.00 0.00 0.00 33.01 30.38 1g9l s GLN 18 CO 0.34 -0.22 0.70 0.66 -2.12 0.00 0.00 175.29 174.65 1g9l n TYR 19 N 4.74 -3.67 0.09 0.91 4.01 -1.26 -4.92 117.16 117.05 1g9l n TYR 19 Ca 0.05 -0.62 -0.02 0.00 -0.16 0.00 0.00 57.90 57.14 1g9l n TYR 19 Cb 0.50 -0.66 0.14 0.00 -0.31 0.00 0.00 39.34 39.01 1g9l n TYR 19 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1g9l n LYS 20 N -3.25 2.31 -0.01 -0.72 5.02 -1.26 -3.92 118.16 116.33 1g9l n LYS 20 Ca 0.09 -1.40 -0.10 0.00 -2.02 0.00 0.00 58.31 54.88 1g9l n LYS 20 Cb 0.35 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.49 1g9l n LYS 20 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1g9l h TYR 21 N 1.29 0.07 -0.56 2.13 -1.99 -2.03 -3.32 116.97 112.55 1g9l h TYR 21 Ca 0.11 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1g9l h TYR 21 Cb 1.43 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1g9l h TYR 21 CO 0.58 1.09 0.00 0.00 -0.00 0.00 0.00 178.16 179.83 1g9l n ALA 22 N -2.57 3.02 -1.62 3.88 0.00 -1.25 -4.94 120.51 117.02 1g9l n ALA 22 Ca -0.16 -1.36 -0.43 0.00 0.00 0.00 0.00 53.44 51.50 1g9l n ALA 22 Cb 1.04 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.80 2.67 -0.37 0.00 0.00 -1.25 -4.83 121.76 116.18 1g9l s ALA 23 Ca 0.44 0.72 0.08 0.00 0.00 0.00 0.00 51.96 53.20 1g9l s ALA 23 Cb 0.28 -4.09 0.65 0.00 0.00 0.00 0.00 23.12 19.97 1g9l s ALA 23 CO 0.21 -2.88 1.70 0.41 0.00 0.00 0.00 175.76 175.20 1g9l n GLY 24 N 5.77 3.49 2.75 0.00 0.00 -1.26 -4.56 105.19 111.39 1g9l n GLY 24 Ca 0.30 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.20 4.20 0.09 1.61 0.24 -1.26 -4.70 118.33 118.31 1g9l n VAL 25 Ca 0.38 -5.25 -0.14 0.00 -2.04 0.00 0.00 64.34 57.30 1g9l n VAL 25 Cb 1.31 -1.38 -0.09 0.00 -1.47 0.00 0.00 33.84 32.20 1g9l n VAL 25 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1g9l h ARG 26 N 3.36 0.30 -7.08 7.34 9.65 -1.92 -3.46 114.38 122.57 1g9l h ARG 26 Ca 0.43 -0.41 -0.45 0.00 -1.10 0.00 0.00 59.98 58.45 1g9l h ARG 26 Cb 0.36 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1g9l h ARG 26 CO 1.14 1.14 0.33 -0.80 2.80 0.00 0.00 179.97 184.57 1g9l s ASN 27 N -7.08 6.82 0.00 -3.80 0.01 -1.26 -4.16 114.94 105.46 1g9l s ASN 27 Ca -0.04 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 1g9l s ASN 27 Cb 0.08 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1g9l s ASN 27 CO 0.87 -0.43 0.12 -2.65 -1.51 0.00 0.00 177.10 173.50 1g9l n PRO 28 N -0.94 0.00 0.00 -0.60 -0.02 -1.26 -4.98 135.00 127.19 1g9l n PRO 28 Ca 0.07 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1g9l n PRO 28 Cb 0.54 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 1g9l n PRO 28 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1g9l n GLN 29 N -0.93 0.00 -3.87 -0.52 6.02 -1.26 -5.07 117.38 111.74 1g9l n GLN 29 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1g9l n GLN 29 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1g9l n GLN 29 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1g9l s GLN 30 N 1.20 3.33 0.00 -1.09 -1.52 -1.26 -4.93 119.66 115.39 1g9l s GLN 30 Ca 0.00 -0.84 0.11 0.00 -1.95 0.00 0.00 55.36 52.68 1g9l s GLN 30 Cb 0.00 -2.85 0.36 0.00 -0.22 0.00 0.00 33.01 30.30 1g9l s GLN 30 CO 0.00 0.35 1.28 1.58 -0.25 0.00 0.00 175.29 178.25 1g9l n HIS 31 N -1.44 0.34 -2.69 0.91 -0.00 -1.26 -4.90 115.22 106.19 1g9l n HIS 31 Ca -0.07 -0.17 -0.38 0.00 0.46 0.00 0.00 57.72 57.56 1g9l n HIS 31 Cb 0.57 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.39 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 -1.11 4.37 -0.09 0.27 1.02 -1.26 -5.04 118.68 116.85 1g9l s LEU 32 Ca 0.22 1.95 -0.15 0.00 0.02 0.00 0.00 54.13 56.16 1g9l s LEU 32 Cb 0.11 -3.94 -0.05 0.00 0.02 0.00 0.00 46.19 42.33 1g9l s LEU 32 CO 0.15 -0.13 0.39 0.20 0.02 0.00 0.00 176.35 176.98 1g9l s ASN 33 N -1.45 6.66 -0.20 2.29 0.01 -1.26 -4.97 114.94 116.02 1g9l s ASN 33 Ca 0.50 0.78 0.03 0.00 -0.71 0.00 0.00 52.86 53.45 1g9l s ASN 33 Cb -0.22 -2.24 0.34 0.00 0.41 0.00 0.00 41.25 39.54 1g9l s ASN 33 CO 0.28 0.16 1.40 0.00 -1.51 0.00 0.00 177.10 177.42 1g9l n ALA 34 N 2.92 3.89 -2.93 0.60 0.00 -1.26 -4.82 120.51 118.91 1g9l n ALA 34 Ca -0.11 -1.34 -0.45 0.00 0.00 0.00 0.00 53.44 51.54 1g9l n ALA 34 Cb 0.52 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 1g9l n ALA 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1g9l s GLN 35 N -1.65 3.01 0.44 0.00 2.00 -1.26 -4.92 119.66 117.28 1g9l s GLN 35 Ca 0.28 -1.32 0.28 0.00 -2.00 0.00 0.00 55.36 52.59 1g9l s GLN 35 Cb 0.23 -4.16 0.87 0.00 0.80 0.00 0.00 33.01 30.75 1g9l s GLN 35 CO 0.06 -1.14 1.79 -1.00 -0.50 0.00 0.00 175.29 174.50 1g9l h PRO 36 N 8.84 0.00 -7.56 1.67 0.13 -2.06 -3.45 132.00 129.56 1g9l h PRO 36 Ca -0.29 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.39 1g9l h PRO 36 Cb 1.10 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.37 1g9l h PRO 36 CO 0.93 0.00 0.32 -1.14 -0.23 0.00 0.00 178.00 177.89 1g9l s GLN 37 N -3.39 0.96 -0.66 0.86 2.00 -1.26 -5.01 119.66 113.16 1g9l s GLN 37 Ca 0.05 0.10 -0.14 0.00 -2.00 0.00 0.00 55.36 53.37 1g9l s GLN 37 Cb 0.08 -1.84 0.17 0.00 0.80 0.00 0.00 33.01 32.22 1g9l s GLN 37 CO 0.58 -2.28 0.59 0.14 -0.50 0.00 0.00 175.29 173.82 1g9l s VAL 38 N -3.41 5.18 -1.03 1.34 -7.23 -1.26 -4.99 120.40 108.99 1g9l s VAL 38 Ca 0.66 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.70 1g9l s VAL 38 Cb -0.12 -4.27 0.26 0.00 0.56 0.00 0.00 36.38 32.81 1g9l s VAL 38 CO 0.53 -0.93 1.00 -0.89 -0.31 0.00 0.00 175.10 174.50 1g9l s THR 39 N 0.85 5.71 -0.90 5.32 2.01 -1.26 -5.00 115.64 122.36 1g9l s THR 39 Ca 0.11 -3.30 -0.24 0.00 0.31 0.00 0.00 61.69 58.57 1g9l s THR 39 Cb -0.20 -4.46 0.04 0.00 0.01 0.00 0.00 72.50 67.89 1g9l s THR 39 CO -0.03 -1.14 1.37 -0.32 -0.69 0.00 0.00 174.62 173.81 1g9l s MET 40 N -0.99 3.43 -0.09 4.92 1.75 -1.26 -4.99 119.30 122.07 1g9l s MET 40 Ca 0.28 -0.79 -0.21 0.00 -1.25 0.00 0.00 55.69 53.72 1g9l s MET 40 Cb -0.10 -4.88 -0.04 0.00 2.84 0.00 0.00 34.83 32.65 1g9l s MET 40 CO -0.09 -2.17 0.61 -1.14 -0.65 0.00 0.00 175.02 171.58 1g9l s GLN 41 N 5.21 4.39 -0.31 4.11 0.74 -1.26 -5.03 119.66 127.51 1g9l s GLN 41 Ca 0.41 0.70 0.04 0.00 0.05 0.00 0.00 55.36 56.56 1g9l s GLN 41 Cb -0.03 -3.45 0.17 0.00 1.10 0.00 0.00 33.01 30.80 1g9l s GLN 41 CO -0.00 0.08 0.49 -1.14 -0.55 0.00 0.00 175.29 174.17 1g9l s GLN 42 N 0.79 0.53 -0.66 1.67 0.74 -1.26 -5.10 119.66 116.38 1g9l s GLN 42 Ca 0.33 0.12 -0.26 0.00 0.05 0.00 0.00 55.36 55.59 1g9l s GLN 42 Cb -0.17 -0.12 -0.10 0.00 1.10 0.00 0.00 33.01 33.72 1g9l s GLN 42 CO 0.15 -1.08 2.39 -2.14 -0.55 0.00 0.00 175.29 174.06 1g9l s PRO 43 N 2.44 1.85 -1.18 1.67 0.02 -1.26 -4.83 135.00 133.70 1g9l s PRO 43 Ca 0.11 0.88 -0.06 0.00 0.02 0.00 0.00 61.00 61.95 1g9l s PRO 43 Cb -0.11 -4.70 0.08 0.00 0.02 0.00 0.00 34.50 29.79 1g9l s PRO 43 CO -0.24 -3.89 2.54 0.00 -0.33 0.00 0.00 177.00 175.08 1g9l n ALA 44 N 17.29 6.83 -0.06 -1.55 0.00 -1.26 -4.60 120.51 137.16 1g9l n ALA 44 Ca 0.42 -3.81 -0.06 0.00 0.00 0.00 0.00 53.44 49.98 1g9l n ALA 44 Cb 0.49 -2.72 -0.05 0.00 0.00 0.00 0.00 19.45 17.16 1g9l n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g9l h VAL 45 N 2.53 0.61 -1.79 0.00 2.07 -2.08 -3.48 116.25 114.11 1g9l h VAL 45 Ca 0.66 -1.49 -0.43 0.00 0.82 0.00 0.00 66.70 66.26 1g9l h VAL 45 Cb 0.40 1.19 0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1g9l h VAL 45 CO 1.38 0.21 -0.18 -1.00 0.02 0.00 0.00 177.57 178.00 1g9l s HIS 46 N -1.89 2.78 -0.58 1.57 3.76 -1.26 -5.05 115.29 114.60 1g9l s HIS 46 Ca -0.10 -0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 54.31 1g9l s HIS 46 Cb -0.00 -2.51 0.05 0.00 1.11 0.00 0.00 32.58 31.23 1g9l s HIS 46 CO 0.28 -0.61 0.92 0.08 -0.85 0.00 0.00 174.74 174.56 1g9l s VAL 47 N -2.51 4.41 0.00 -0.90 1.01 -1.26 -4.93 120.40 116.23 1g9l s VAL 47 Ca 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1g9l s VAL 47 Cb -0.10 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.71 1g9l s VAL 47 CO 0.35 -1.21 0.00 1.67 0.00 0.00 0.00 175.10 175.92 1g9l n GLN 48 N 7.42 0.00 -3.38 2.72 -0.06 -1.26 -4.94 117.38 117.88 1g9l n GLN 48 Ca -0.01 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.60 1g9l n GLN 48 Cb 0.47 -0.09 -0.09 0.00 -4.06 0.00 0.00 30.24 26.47 1g9l n GLN 48 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1g9l s GLY 49 N -0.42 1.90 0.58 1.69 0.00 -1.26 -5.08 107.32 104.73 1g9l s GLY 49 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1g9l s GLY 49 CO 0.00 0.98 0.81 -0.86 0.00 0.00 0.00 173.10 174.02 1g9l s GLN 50 N 1.99 2.33 -0.52 2.90 -2.07 -1.26 -5.05 119.66 117.98 1g9l s GLN 50 Ca 0.16 -1.01 -0.21 0.00 -1.82 0.00 0.00 55.36 52.48 1g9l s GLN 50 Cb -0.16 -2.50 0.05 0.00 -1.09 0.00 0.00 33.01 29.32 1g9l s GLN 50 CO 0.10 -0.86 0.75 -1.83 -1.32 0.00 0.00 175.29 172.12 1g9l s GLU 51 N -4.80 3.21 0.81 9.60 -1.05 -1.26 -5.05 118.70 120.16 1g9l s GLU 51 Ca 0.60 -0.63 -0.12 0.00 -0.15 0.00 0.00 54.97 54.67 1g9l s GLU 51 Cb -0.09 -4.08 0.09 0.00 -0.44 0.00 0.00 34.13 29.62 1g9l s GLU 51 CO 0.39 -1.32 1.18 -1.25 0.95 0.00 0.00 175.26 175.21 1g9l s PRO 52 N 3.15 1.85 0.08 -4.83 0.04 -1.26 -5.08 135.00 128.96 1g9l s PRO 52 Ca 0.21 0.01 -0.03 0.00 0.04 0.00 0.00 61.00 61.23 1g9l s PRO 52 Cb -0.16 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1g9l s PRO 52 CO 0.15 -1.65 0.29 -1.17 0.04 0.00 0.00 177.00 174.67 1g9l s LEU 53 N -5.57 4.32 0.00 -3.56 2.96 -1.26 -4.92 118.68 110.64 1g9l s LEU 53 Ca 0.63 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1g9l s LEU 53 Cb -0.10 -3.05 0.00 0.00 0.50 0.00 0.00 46.19 43.53 1g9l s LEU 53 CO 0.49 0.14 0.00 0.35 -1.32 0.00 0.00 176.35 176.01 1g9l n THR 54 N 0.37 0.00 -0.36 3.68 -2.24 -1.26 -4.85 114.28 109.61 1g9l n THR 54 Ca -0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1g9l n THR 54 Cb 0.52 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.90 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g9l h ALA 55 N 2.00 1.35 -0.47 6.98 0.00 -1.55 -1.37 119.26 126.19 1g9l h ALA 55 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1g9l h ALA 55 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1g9l h ALA 55 CO 0.00 0.47 0.28 0.77 0.00 0.00 0.00 179.25 180.77 1g9l h SER 56 N 1.19 0.44 -0.75 0.00 0.02 -1.86 -0.27 113.55 112.32 1g9l h SER 56 Ca 0.41 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1g9l h SER 56 Cb 0.10 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 56 CO -0.15 0.31 0.45 0.24 -1.14 0.00 0.00 176.83 176.54 1g9l h MET 57 N 0.55 1.01 -0.34 3.45 2.07 -1.73 -2.11 114.93 117.84 1g9l h MET 57 Ca 0.19 -0.09 0.03 0.00 -2.07 0.00 0.00 59.70 57.76 1g9l h MET 57 Cb 0.03 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.51 1g9l h MET 57 CO -0.09 0.71 0.16 -0.07 1.07 0.00 0.00 176.91 178.69 1g9l h LEU 58 N 1.02 0.23 -0.06 1.22 4.07 -0.58 -0.59 115.31 120.62 1g9l h LEU 58 Ca 0.27 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1g9l h LEU 58 Cb -0.04 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1g9l h LEU 58 CO -0.05 0.17 0.00 0.00 -1.08 0.00 0.00 178.44 177.48 1g9l n ALA 59 N -2.27 1.51 1.25 1.53 0.00 -0.18 -1.74 120.51 120.63 1g9l n ALA 59 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1g9l n ALA 59 Cb 0.09 -1.19 0.62 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.56 0.19 -2.91 0.00 2.88 -0.23 -4.02 113.62 107.98 1g9l n SER 60 Ca 0.03 -0.10 -0.18 0.00 -1.33 0.00 0.00 58.87 57.29 1g9l n SER 60 Cb 0.13 -0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.27 3.22 -0.05 -1.46 0.00 -0.71 -4.97 120.51 115.27 1g9l n ALA 61 Ca 0.11 -3.65 -0.08 0.00 0.00 0.00 0.00 53.44 49.83 1g9l n ALA 61 Cb 0.29 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.02 -0.00 0.00 0.11 -1.71 -1.46 132.00 131.87 1g9l h PRO 62 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1g9l h PRO 62 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1g9l h PRO 62 CO 0.59 -0.01 -0.28 -0.35 -0.21 0.00 0.00 178.00 177.74 1g9l n PRO 63 N -5.23 0.35 0.00 1.05 -0.04 -1.26 -4.58 135.00 125.29 1g9l n PRO 63 Ca -0.02 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1g9l n PRO 63 Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.17 0.00 0.00 0.54 -0.06 -0.95 -5.05 117.38 110.68 1g9l n GLN 64 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 1g9l n GLN 64 Cb 0.33 -0.07 0.00 0.00 -4.06 0.00 0.00 30.24 26.43 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1g9l n GLU 65 N -0.82 0.00 0.00 3.69 -0.58 -0.59 -4.95 120.64 117.40 1g9l n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1g9l n GLU 65 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1g9l n GLU 65 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1g9l n GLN 66 N -0.37 0.00 -0.59 3.49 6.02 -1.03 -3.67 117.38 121.23 1g9l n GLN 66 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1g9l n GLN 66 Cb 0.00 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.49 1g9l n GLN 66 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1g9l n LYS 67 N 0.00 2.41 0.01 -1.09 2.85 -1.26 -4.43 118.16 116.64 1g9l n LYS 67 Ca 0.00 -2.97 -0.02 0.00 -1.05 0.00 0.00 58.31 54.27 1g9l n LYS 67 Cb 0.00 -1.83 -0.01 0.00 -0.65 0.00 0.00 35.03 32.54 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 -0.81 0.04 -0.01 -1.58 6.02 -1.24 -4.73 117.38 115.07 1g9l n GLN 68 Ca 0.27 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.38 1g9l n GLN 68 Cb 0.96 -0.57 0.57 0.00 1.02 0.00 0.00 30.24 32.22 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 -3.27 1.08 -0.18 -1.09 0.00 -1.26 -3.65 117.12 108.75 1g9l n MET 69 Ca -0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 57.70 57.46 1g9l n MET 69 Cb 0.34 -1.32 0.01 0.00 0.00 0.00 0.00 33.22 32.25 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 0.25 0.82 -3.80 3.17 8.10 -1.85 -3.17 115.31 118.83 1g9l h LEU 70 Ca 0.00 -0.26 -0.22 0.00 0.11 0.00 0.00 57.88 57.51 1g9l h LEU 70 Cb 0.05 -0.22 -0.32 0.00 -0.44 0.00 0.00 40.66 39.74 1g9l h LEU 70 CO 0.00 0.87 -0.91 0.61 -4.11 0.00 0.00 178.44 174.90 1g9l n GLY 71 N -0.53 3.05 0.00 0.17 0.00 -1.25 -4.51 105.19 102.12 1g9l n GLY 71 Ca 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.36 0.00 0.00 1.61 0.28 -1.24 -3.70 120.64 117.23 1g9l n GLU 72 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1g9l n GLU 72 Cb 0.92 -0.24 0.00 0.00 1.43 0.00 0.00 31.44 33.56 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1g9l n ARG 73 N 0.00 2.51 0.21 3.44 0.00 -1.20 -4.68 116.66 116.94 1g9l n ARG 73 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 1g9l n ARG 73 Cb 0.16 -0.79 0.37 0.00 0.00 0.00 0.00 32.46 32.21 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 -0.63 6.15 3.38 -1.79 -3.35 115.31 119.08 1g9l h LEU 74 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1g9l h LEU 74 Cb 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1g9l h LEU 74 CO 0.00 0.00 -0.42 0.15 0.09 0.00 0.00 178.44 178.26 1g9l h PHE 75 N 0.00 -1.24 0.00 1.13 3.57 -1.89 0.72 116.94 119.23 1g9l h PHE 75 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1g9l h PHE 75 Cb 0.78 0.63 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1g9l h PHE 75 CO 0.00 -0.41 0.00 -0.35 -2.23 0.00 0.00 178.31 175.32 1g9l n PRO 76 N -5.41 0.06 -0.02 6.41 -0.04 -1.26 -2.57 135.00 132.17 1g9l n PRO 76 Ca 0.03 0.18 0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1g9l n PRO 76 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1g9l n PRO 76 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1g9l n LEU 77 N -1.45 0.23 -0.04 1.53 4.77 0.19 -4.16 117.00 118.08 1g9l n LEU 77 Ca 0.05 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1g9l n LEU 77 Cb 0.19 0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1g9l n LEU 77 CO 0.15 0.17 0.58 0.40 -1.33 0.00 0.00 177.39 177.37 1g9l h ILE 78 N 0.00 1.29 0.00 -0.08 1.08 0.39 -2.33 117.51 117.87 1g9l h ILE 78 Ca -0.21 -1.57 0.00 0.00 -0.39 0.00 0.00 64.86 62.70 1g9l h ILE 78 Cb 1.51 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 1g9l h ILE 78 CO 0.02 0.50 0.33 1.56 -0.69 0.00 0.00 178.15 179.87 1g9l h GLN 79 N 0.54 0.00 0.18 2.37 4.20 -1.71 0.58 115.11 121.27 1g9l h GLN 79 Ca 0.05 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.49 1g9l h GLN 79 Cb 0.92 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.73 1g9l h GLN 79 CO 0.08 0.00 -1.22 0.00 -0.67 0.00 0.00 178.83 177.02 1g9l h ALA 80 N 1.16 -0.04 -0.02 3.87 0.00 -1.63 -3.27 119.26 119.34 1g9l h ALA 80 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 54.91 53.91 1g9l h ALA 80 Cb 0.66 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1g9l h ALA 80 CO 0.00 0.62 -0.59 0.52 0.00 0.00 0.00 179.25 179.80 1g9l h MET 81 N -0.16 0.06 -5.89 0.00 2.86 0.00 -3.46 114.93 108.34 1g9l h MET 81 Ca -0.23 -0.04 -0.52 0.00 -2.06 0.00 0.00 59.70 56.86 1g9l h MET 81 Cb 1.87 0.01 -0.17 0.00 0.06 0.00 0.00 31.60 33.37 1g9l h MET 81 CO 0.17 0.63 -0.77 -1.01 1.06 0.00 0.00 176.91 176.99 1g9l s HIS 82 N -3.71 1.86 -0.80 -0.22 3.76 -0.16 -5.04 115.29 110.99 1g9l s HIS 82 Ca -0.02 -0.48 -0.24 0.00 -0.15 0.00 0.00 55.06 54.17 1g9l s HIS 82 Cb 0.13 -0.90 -0.18 0.00 1.11 0.00 0.00 32.58 32.74 1g9l s HIS 82 CO 0.77 0.38 1.89 -2.30 -0.85 0.00 0.00 174.74 174.63 1g9l n PRO 83 N 0.03 1.17 -3.22 8.40 -0.02 -1.26 -4.02 135.00 136.08 1g9l n PRO 83 Ca -0.11 -1.89 -0.19 0.00 -2.02 0.00 0.00 63.50 59.30 1g9l n PRO 83 Cb 0.58 -3.18 -0.02 0.00 -0.02 0.00 0.00 33.50 30.86 1g9l n PRO 83 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1g9l n THR 84 N 6.97 -0.45 1.68 3.45 5.66 -1.23 -4.77 114.28 125.58 1g9l n THR 84 Ca 0.47 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.59 1g9l n THR 84 Cb 0.43 -1.00 0.57 0.00 -1.55 0.00 0.00 70.33 68.78 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1g9l n LEU 85 N -3.31 0.77 -3.30 1.09 4.77 -1.26 -4.48 117.00 111.28 1g9l n LEU 85 Ca 0.00 -0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.34 1g9l n LEU 85 Cb 0.52 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1g9l n LEU 85 CO 0.40 0.15 3.02 0.00 -1.33 0.00 0.00 177.39 179.63 1g9l n ALA 86 N -0.32 6.47 1.04 -1.18 0.00 -1.26 -4.29 120.51 120.96 1g9l n ALA 86 Ca 0.18 -3.07 0.12 0.00 0.00 0.00 0.00 53.44 50.66 1g9l n ALA 86 Cb 0.21 -3.28 0.17 0.00 0.00 0.00 0.00 19.45 16.55 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 3.69 -1.02 0.66 0.00 0.00 -1.26 -4.57 105.19 102.68 1g9l n GLY 87 Ca 0.66 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.29 0.02 0.00 1.61 4.81 -1.26 -5.05 118.16 117.00 1g9l n LYS 88 Ca 0.06 -0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1g9l n LYS 88 Cb 0.34 0.47 0.00 0.00 0.02 0.00 0.00 35.03 35.87 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 -0.02 0.00 -0.30 3.15 5.41 -1.26 -3.46 119.36 122.88 1g9l n ILE 89 Ca -0.05 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.79 1g9l n ILE 89 Cb 0.34 -0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.52 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 0.62 -0.71 1.39 2.02 -1.92 0.46 112.91 114.78 1g9l h THR 90 Ca 0.00 -0.18 0.16 0.00 0.77 0.00 0.00 66.41 67.16 1g9l h THR 90 Cb 0.00 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.43 1g9l h THR 90 CO 0.00 0.09 0.48 1.23 0.37 0.00 0.00 175.52 177.70 1g9l h GLY 91 N 0.52 0.45 1.49 2.16 0.00 -1.80 0.35 103.07 106.25 1g9l h GLY 91 Ca 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1g9l h GLY 91 CO -0.43 0.03 -0.62 1.98 0.00 0.00 0.00 176.54 177.50 1g9l h MET 92 N 0.26 0.00 0.00 4.80 1.85 -0.20 -3.19 114.93 118.45 1g9l h MET 92 Ca 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.43 1g9l h MET 92 Cb 0.98 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.01 1g9l h MET 92 CO -0.08 0.10 0.00 1.28 -0.40 0.00 0.00 176.91 177.81 1g9l n LEU 93 N -2.93 0.00 -1.67 3.39 7.99 0.12 0.78 117.00 124.69 1g9l n LEU 93 Ca 0.01 0.32 -0.04 0.00 -0.01 0.00 0.00 56.01 56.28 1g9l n LEU 93 Cb 0.60 -0.32 0.27 0.00 -0.11 0.00 0.00 43.42 43.86 1g9l n LEU 93 CO 0.38 -0.30 0.94 0.18 -1.51 0.00 0.00 177.39 177.08 1g9l n LEU 94 N -1.32 5.40 0.00 2.23 4.32 -1.19 -4.05 117.00 122.39 1g9l n LEU 94 Ca 0.01 -3.31 0.00 0.00 -0.02 0.00 0.00 56.01 52.69 1g9l n LEU 94 Cb 0.02 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 1g9l n LEU 94 CO 0.02 0.88 0.00 -1.84 -1.22 0.00 0.00 177.39 175.23 1g9l n GLU 95 N -0.47 0.00 0.00 3.23 0.28 0.23 -5.10 120.64 118.82 1g9l n GLU 95 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1g9l n GLU 95 Cb 1.26 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.13 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 1.00 -4.65 119.36 119.55 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 0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 39.64 39.74 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1g9l n ASP 97 Cb 0.00 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.17 0.00 0.23 1.67 6.94 -1.26 -4.65 115.26 117.02 1g9l n ASN 98 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.64 1g9l n ASN 98 Cb 0.01 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 37.99 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1g9l h SER 99 N 0.00 0.00 1.27 0.53 0.02 -1.98 0.41 113.55 113.80 1g9l h SER 99 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1g9l h SER 99 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 99 CO 0.00 0.21 -0.76 -0.33 -1.14 0.00 0.00 176.83 174.81 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.93 -0.95 114.58 120.24 1g9l h GLU 100 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1g9l h GLU 100 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1g9l h GLU 100 CO 0.03 0.39 -0.46 1.25 -1.00 0.00 0.00 179.01 179.21 1g9l h LEU 101 N 0.00 0.00 0.06 1.33 7.12 -1.33 -2.24 115.31 120.25 1g9l h LEU 101 Ca -0.05 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.70 1g9l h LEU 101 Cb 1.40 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 1g9l h LEU 101 CO 0.05 0.46 -1.43 -0.07 -0.13 0.00 0.00 178.44 177.32 1g9l h LEU 102 N 0.00 0.19 -0.76 2.25 4.07 -0.93 -3.35 115.31 116.78 1g9l h LEU 102 Ca -0.00 -0.72 -0.11 0.00 0.08 0.00 0.00 57.88 57.13 1g9l h LEU 102 Cb 1.10 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 1g9l h LEU 102 CO 0.06 1.60 -0.27 -0.74 -1.08 0.00 0.00 178.44 178.00 1g9l h HIS 103 N -0.58 0.73 -0.47 1.13 2.76 -1.26 -2.45 115.15 115.02 1g9l h HIS 103 Ca -0.35 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 57.65 1g9l h HIS 103 Cb 1.58 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.34 1g9l h HIS 103 CO 0.11 0.84 0.27 0.00 -1.30 0.00 0.00 177.93 177.85 1g9l h MET 104 N 0.55 0.64 0.00 5.26 -0.00 -1.59 0.46 114.93 120.25 1g9l h MET 104 Ca 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 1g9l h MET 104 Cb 0.75 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 1g9l h MET 104 CO 0.06 0.46 -0.30 1.28 -0.00 0.00 0.00 176.91 178.42 1g9l n LEU 105 N -4.42 0.64 -0.00 -0.10 4.77 -1.09 -2.55 117.00 114.24 1g9l n LEU 105 Ca 0.04 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 1g9l n LEU 105 Cb 0.09 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1g9l n LEU 105 CO 0.36 -0.08 -0.08 -1.84 -1.33 0.00 0.00 177.39 174.43 1g9l n GLU 106 N -2.03 2.21 -3.83 3.23 -0.00 -0.49 -4.74 120.64 114.98 1g9l n GLU 106 Ca 0.05 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.16 57.05 1g9l n GLU 106 Cb 0.41 -1.18 -0.16 0.00 -0.00 0.00 0.00 31.44 30.52 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 -2.42 0.15 0.00 -1.84 0.15 0.15 -5.01 113.70 104.88 1g9l s SER 107 Ca 0.05 0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.76 1g9l s SER 107 Cb 0.11 -0.09 0.28 0.00 -1.71 0.00 0.00 66.02 64.60 1g9l s SER 107 CO 0.58 -0.10 0.88 -2.65 1.20 0.00 0.00 173.24 173.16 1g9l n PRO 108 N 3.96 0.67 0.00 5.44 -0.02 -1.26 -2.64 135.00 141.15 1g9l n PRO 108 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1g9l n PRO 108 Cb 0.52 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 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 -0.61 2.43 -0.00 -0.52 2.13 -1.26 -4.72 120.64 118.09 1g9l n GLU 109 Ca 0.04 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.74 1g9l n GLU 109 Cb 0.02 -0.81 -0.07 0.00 0.27 0.00 0.00 31.44 30.85 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 0.08 -0.97 4.31 0.02 -1.74 0.22 113.55 115.47 1g9l h SER 110 Ca 0.00 -0.17 0.26 0.00 -0.84 0.00 0.00 61.79 61.03 1g9l h SER 110 Cb 0.47 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.93 1g9l h SER 110 CO 0.00 0.23 0.67 0.25 -1.14 0.00 0.00 176.83 176.84 1g9l h LEU 111 N -0.07 0.22 0.00 5.07 6.46 -1.68 0.57 115.31 125.87 1g9l h LEU 111 Ca 0.02 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1g9l h LEU 111 Cb 0.18 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1g9l h LEU 111 CO -0.00 0.07 -0.32 -0.09 -0.62 0.00 0.00 178.44 177.47 1g9l h ARG 112 N 0.21 0.00 -0.58 1.25 2.43 -1.71 -2.70 114.38 113.28 1g9l h ARG 112 Ca 0.50 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.74 1g9l h ARG 112 Cb 1.59 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.10 1g9l h ARG 112 CO -0.12 0.07 0.39 1.03 -1.51 0.00 0.00 179.97 179.82 1g9l h SER 113 N -1.00 0.43 1.01 -3.80 0.87 -0.33 0.18 113.55 110.92 1g9l h SER 113 Ca -0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 1g9l h SER 113 Cb 0.35 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1g9l h SER 113 CO -0.01 0.28 -0.86 0.11 -0.53 0.00 0.00 176.83 175.82 1g9l h LYS 114 N 0.49 0.00 0.15 2.24 1.79 -0.04 -2.29 116.57 118.92 1g9l h LYS 114 Ca 0.26 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 1g9l h LYS 114 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1g9l h LYS 114 CO -0.07 0.86 -0.07 0.28 -1.08 0.00 0.00 179.45 179.37 1g9l h VAL 115 N 0.00 0.97 -0.75 0.50 2.07 -0.66 0.33 116.25 118.72 1g9l h VAL 115 Ca -0.01 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.58 1g9l h VAL 115 Cb 1.60 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 1g9l h VAL 115 CO 0.11 0.22 0.49 -0.78 0.02 0.00 0.00 177.57 177.63 1g9l h ASP 116 N -0.73 0.64 0.40 0.57 3.58 -0.82 0.13 116.42 120.18 1g9l h ASP 116 Ca -0.02 0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.23 1g9l h ASP 116 Cb 0.52 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 1g9l h ASP 116 CO 0.03 0.40 -0.89 -0.33 -2.88 0.00 0.00 179.24 175.57 1g9l h GLU 117 N 0.72 0.34 0.00 0.28 3.07 -1.38 -2.91 114.58 114.71 1g9l h GLU 117 Ca 0.33 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1g9l h GLU 117 Cb 0.37 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1g9l h GLU 117 CO -0.12 1.04 -0.18 0.00 -1.40 0.00 0.00 179.01 178.35 1g9l h ALA 118 N 0.84 1.69 0.35 3.43 0.00 0.17 -2.56 119.26 123.19 1g9l h ALA 118 Ca -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1g9l h ALA 118 Cb 1.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1g9l h ALA 118 CO 0.15 0.23 -0.39 0.28 0.00 0.00 0.00 179.25 179.52 1g9l h VAL 119 N 0.00 0.21 -0.35 0.00 2.07 -0.63 0.88 116.25 118.42 1g9l h VAL 119 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1g9l h VAL 119 Cb 0.33 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1g9l h VAL 119 CO 0.02 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.08 1g9l h ALA 120 N -0.37 2.00 0.03 1.67 0.00 -1.46 0.67 119.26 121.80 1g9l h ALA 120 Ca -0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1g9l h ALA 120 Cb 0.71 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1g9l h ALA 120 CO -0.09 -0.64 -1.56 0.28 0.00 0.00 0.00 179.25 177.24 1g9l h VAL 121 N 0.00 1.06 -0.18 0.00 2.07 -0.65 -2.95 116.25 115.60 1g9l h VAL 121 Ca 0.17 -2.84 -0.13 0.00 0.82 0.00 0.00 66.70 64.72 1g9l h VAL 121 Cb 1.09 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1g9l h VAL 121 CO -0.00 0.68 -0.41 0.17 0.02 0.00 0.00 177.57 178.03 1g9l h LEU 122 N 0.02 0.68 -1.19 2.57 8.10 0.62 -1.01 115.31 125.10 1g9l h LEU 122 Ca -0.23 -0.56 -0.08 0.00 0.11 0.00 0.00 57.88 57.12 1g9l h LEU 122 Cb 1.97 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.98 1g9l h LEU 122 CO 0.11 1.11 -0.32 0.06 -4.11 0.00 0.00 178.44 175.30 1g9l h GLN 123 N 0.27 0.15 0.00 0.17 -0.00 -0.70 0.26 115.11 115.27 1g9l h GLN 123 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1g9l h GLN 123 Cb 1.01 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 1g9l h GLN 123 CO 0.09 0.46 -0.11 0.00 -0.00 0.00 0.00 178.83 179.27 1g9l n ALA 124 N -2.48 2.49 -0.00 0.06 0.00 -1.11 -3.43 120.51 116.03 1g9l n ALA 124 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1g9l n ALA 124 Cb 0.39 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.44 1g9l n ALA 124 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1g9l n HIS 125 N -1.83 0.03 0.00 0.00 8.25 -0.39 -4.44 115.22 116.83 1g9l n HIS 125 Ca 0.06 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1g9l n HIS 125 Cb 0.38 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1g9l n GLN 126 N -0.33 0.00 -0.80 -0.41 1.13 0.85 -4.65 117.38 113.17 1g9l n GLN 126 Ca 0.01 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.04 1g9l n GLN 126 Cb 0.22 0.00 0.26 0.00 0.11 0.00 0.00 30.24 30.82 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 -3.00 4.08 -1.33 -1.58 0.00 -1.26 -4.37 120.51 113.04 1g9l n ALA 127 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.66 1g9l n ALA 127 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1g9l n ALA 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g9l n LYS 128 N 0.03 3.35 0.00 0.00 4.76 -1.26 -4.92 118.16 120.13 1g9l n LYS 128 Ca 0.31 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.89 1g9l n LYS 128 Cb 1.15 0.00 0.78 0.00 -1.84 0.00 0.00 35.03 35.12 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1g9l n GLU 129 N 0.00 0.59 -0.22 1.97 1.02 -1.26 -3.55 120.64 119.19 1g9l n GLU 129 Ca 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 1g9l n GLU 129 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g9l h ALA 130 N 3.54 0.80 0.00 0.62 0.00 -1.86 -2.54 119.26 119.81 1g9l h ALA 130 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 130 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1g9l h ALA 130 CO 0.00 0.44 -0.41 0.00 0.00 0.00 0.00 179.25 179.28 1g9l n ALA 131 N -2.39 2.83 -1.87 0.00 0.00 -1.23 -4.88 120.51 112.98 1g9l n ALA 131 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1g9l n ALA 131 Cb 0.19 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1g9l n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g9l n GLN 132 N -1.98 1.43 -1.06 0.00 6.02 -0.96 -5.07 117.38 115.77 1g9l n GLN 132 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.73 1g9l n GLN 132 Cb 0.41 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.79 1g9l n GLN 132 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1g9l s LYS 133 N -0.19 1.74 -0.14 -1.09 -2.85 -1.26 -4.99 119.74 110.96 1g9l s LYS 133 Ca 0.00 1.27 -0.19 0.00 -1.00 0.00 0.00 55.97 56.05 1g9l s LYS 133 Cb 0.00 -1.83 -0.16 0.00 -2.06 0.00 0.00 37.83 33.78 1g9l s LYS 133 CO 0.00 -2.04 0.42 0.00 0.10 0.00 0.00 175.35 173.83 1g9l h ALA 134 N -1.42 0.03 -2.95 0.59 0.00 -1.95 -3.46 119.26 110.10 1g9l h ALA 134 Ca -0.44 -0.45 -0.59 0.00 0.00 0.00 0.00 54.91 53.43 1g9l h ALA 134 Cb 1.25 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 1g9l h ALA 134 CO 0.48 0.12 -0.21 0.14 0.00 0.00 0.00 179.25 179.78 1g9l s VAL 135 N -2.05 5.23 -1.86 0.00 -7.23 -1.26 -4.95 120.40 108.28 1g9l s VAL 135 Ca -0.15 0.75 0.25 0.00 -1.81 0.00 0.00 61.98 61.03 1g9l s VAL 135 Cb -0.01 -3.73 0.21 0.00 0.56 0.00 0.00 36.38 33.41 1g9l s VAL 135 CO 0.45 0.32 1.45 0.59 -0.31 0.00 0.00 175.10 177.60 1g9l n ASN 136 N 3.92 1.31 -4.84 4.85 3.02 -1.26 -4.93 115.26 117.33 1g9l n ASN 136 Ca -0.09 -1.08 -0.32 0.00 -0.03 0.00 0.00 54.58 53.07 1g9l n ASN 136 Cb 0.51 0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.89 1g9l n ASN 136 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1g9l s SER 137 N -2.48 6.34 -0.63 6.41 1.04 -1.26 -4.94 113.70 118.18 1g9l s SER 137 Ca 0.23 1.59 -0.26 0.00 0.48 0.00 0.00 55.95 57.99 1g9l s SER 137 Cb 0.19 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 1g9l s SER 137 CO 0.53 -0.79 2.08 0.00 0.98 0.00 0.00 173.24 176.04 1g9l s ALA 138 N -2.72 1.81 0.37 5.32 0.00 -1.26 -4.95 121.76 120.32 1g9l s ALA 138 Ca 0.59 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 1g9l s ALA 138 Cb -0.11 -4.37 -0.06 0.00 0.00 0.00 0.00 23.12 18.57 1g9l s ALA 138 CO 0.38 -4.37 0.69 0.99 0.00 0.00 0.00 175.76 173.46 1g9l s THR 139 N 10.64 4.87 -1.01 0.00 2.01 -1.26 -5.03 115.64 125.86 1g9l s THR 139 Ca 0.79 0.41 -0.05 0.00 0.31 0.00 0.00 61.69 63.15 1g9l s THR 139 Cb -0.13 -3.74 0.27 0.00 0.01 0.00 0.00 72.50 68.91 1g9l s THR 139 CO 0.18 -0.46 1.07 0.61 -0.69 0.00 0.00 174.62 175.33 1g9l n GLY 140 N -1.19 4.41 3.87 4.40 0.00 -1.26 -5.05 105.19 110.37 1g9l n GLY 140 Ca 0.01 -2.62 -0.31 0.00 0.00 0.00 0.00 46.02 43.10 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 -1.70 4.79 1.27 1.61 -7.23 -1.26 -5.07 120.40 112.82 1g9l s VAL 141 Ca 0.30 0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 60.94 1g9l s VAL 141 Cb -0.05 -3.68 0.32 0.00 0.56 0.00 0.00 36.38 33.53 1g9l s VAL 141 CO -0.05 -0.35 0.99 -2.16 -0.31 0.00 0.00 175.10 173.22 1g9l s PRO 142 N -3.45 -1.78 -0.38 4.82 0.04 -1.26 -4.94 135.00 128.05 1g9l s PRO 142 Ca 0.51 0.42 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 1g9l s PRO 142 Cb -0.10 -1.49 0.02 0.00 0.04 0.00 0.00 34.50 32.97 1g9l s PRO 142 CO 0.26 -4.19 1.00 0.95 0.04 0.00 0.00 177.00 175.07 1g9l s THR 143 N -2.46 4.49 -0.55 1.26 -4.23 -1.26 -5.29 115.64 107.60 1g9l s THR 143 Ca 0.69 1.32 0.04 0.00 -1.18 0.00 0.00 61.69 62.56 1g9l s THR 143 Cb -0.18 -4.41 0.03 0.00 1.34 0.00 0.00 72.50 69.28 1g9l s THR 143 CO 0.61 -0.62 0.64 0.52 -0.54 0.00 0.00 174.62 175.22