#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 2.67 0.06 1.61 -0.02 -1.26 -4.89 135.00 133.18 1g9l n PRO 2 Ca 0.00 0.98 -0.14 0.00 -2.02 0.00 0.00 63.50 62.32 1g9l n PRO 2 Cb 0.00 -2.89 -0.14 0.00 -0.02 0.00 0.00 33.50 30.46 1g9l n PRO 2 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1g9l h LEU 3 N 9.70 0.27 -3.98 2.45 3.38 -2.09 -3.33 115.31 121.71 1g9l h LEU 3 Ca -0.49 -0.34 -0.51 0.00 0.09 0.00 0.00 57.88 56.63 1g9l h LEU 3 Cb 1.24 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 41.70 1g9l h LEU 3 CO 0.94 1.28 0.63 0.61 0.09 0.00 0.00 178.44 181.99 1g9l n GLY 4 N 1.55 4.86 0.07 0.83 0.00 -1.26 -4.48 105.19 106.76 1g9l n GLY 4 Ca -0.11 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 1g9l n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g9l h SER 5 N 2.06 0.00 -2.66 1.61 4.64 -1.98 -3.44 113.55 113.78 1g9l h SER 5 Ca 0.44 -0.79 -0.59 0.00 -0.47 0.00 0.00 61.79 60.38 1g9l h SER 5 Cb 0.76 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.46 1g9l h SER 5 CO 1.12 0.98 -0.86 0.00 -0.87 0.00 0.00 176.83 177.19 1g9l s ALA 6 N -2.29 1.24 0.00 5.18 0.00 -1.26 -4.92 121.76 119.71 1g9l s ALA 6 Ca -0.17 -2.13 0.19 0.00 0.00 0.00 0.00 51.96 49.85 1g9l s ALA 6 Cb -0.02 -1.65 0.32 0.00 0.00 0.00 0.00 23.12 21.78 1g9l s ALA 6 CO 0.57 -2.07 1.12 0.00 0.00 0.00 0.00 175.76 175.38 1g9l n ALA 7 N 3.66 2.42 -0.78 0.00 0.00 -1.26 -5.12 120.51 119.43 1g9l n ALA 7 Ca 0.16 -1.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.34 1g9l n ALA 7 Cb 0.39 -0.65 0.18 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 0.99 1.16 0.00 0.00 -1.26 -4.99 121.76 117.65 1g9l s ALA 8 Ca 0.25 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.34 1g9l s ALA 8 Cb 0.29 -3.34 0.28 0.00 0.00 0.00 0.00 23.12 20.35 1g9l s ALA 8 CO -0.13 -2.92 1.03 0.00 0.00 0.00 0.00 175.76 173.74 1g9l s ALA 9 N -2.66 -0.37 -0.17 0.00 0.00 -1.26 -4.68 121.76 112.61 1g9l s ALA 9 Ca 0.66 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1g9l s ALA 9 Cb -0.22 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1g9l s ALA 9 CO 0.60 -3.77 0.24 2.41 0.00 0.00 0.00 175.76 175.23 1g9l n THR 10 N -4.86-13.02 -2.22 0.00 -1.04 -1.26 -4.89 114.28 87.00 1g9l n THR 10 Ca 0.03 2.84 -0.33 0.00 -2.04 0.00 0.00 64.05 64.55 1g9l n THR 10 Cb 0.55 -6.53 -0.01 0.00 -1.82 0.00 0.00 70.33 62.52 1g9l n THR 10 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1g9l s PRO 11 N -0.67 3.58 -0.22 -2.82 0.04 -1.26 -5.15 135.00 128.51 1g9l s PRO 11 Ca -0.27 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.73 1g9l s PRO 11 Cb 0.02 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1g9l s PRO 11 CO 0.74 -0.59 -0.10 0.00 0.04 0.00 0.00 177.00 177.09 1g9l n ALA 12 N -1.77 0.87 -2.28 8.56 0.00 -1.26 -5.02 120.51 119.61 1g9l n ALA 12 Ca 0.08 -0.71 -0.23 0.00 0.00 0.00 0.00 53.44 52.58 1g9l n ALA 12 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 1g9l n ALA 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1g9l s VAL 13 N -2.45 2.17 -0.15 0.00 -7.23 -1.26 -5.07 120.40 106.41 1g9l s VAL 13 Ca -0.30 -1.38 -0.27 0.00 -1.81 0.00 0.00 61.98 58.22 1g9l s VAL 13 Cb 0.08 -2.55 -0.25 0.00 0.56 0.00 0.00 36.38 34.22 1g9l s VAL 13 CO 0.48 0.00 0.64 0.03 -0.31 0.00 0.00 175.10 175.94 1g9l h ARG 14 N 0.83 0.02 -6.47 4.82 -0.00 -2.08 -3.46 114.38 108.04 1g9l h ARG 14 Ca -0.38 -0.03 -0.53 0.00 -0.50 0.00 0.00 59.98 58.54 1g9l h ARG 14 Cb 1.28 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 31.24 1g9l h ARG 14 CO 0.56 1.01 -0.12 0.99 0.00 0.00 0.00 179.97 182.41 1g9l s THR 15 N -2.27 4.98 -0.22 2.04 2.01 -1.26 -5.08 115.64 115.84 1g9l s THR 15 Ca -0.21 0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 1g9l s THR 15 Cb -0.01 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1g9l s THR 15 CO 0.67 -0.20 0.18 -0.69 -0.69 0.00 0.00 174.62 173.89 1g9l s VAL 16 N -1.96 5.36 0.00 3.82 1.01 -1.26 -5.08 120.40 122.29 1g9l s VAL 16 Ca 0.46 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1g9l s VAL 16 Cb -0.11 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1g9l s VAL 16 CO 0.26 0.37 0.00 -2.65 0.00 0.00 0.00 175.10 173.08 1g9l n PRO 17 N 3.99 2.47 -2.29 2.72 -0.02 -1.26 -4.96 135.00 135.65 1g9l n PRO 17 Ca -0.15 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.99 1g9l n PRO 17 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1g9l n PRO 17 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1g9l s GLN 18 N 0.00 3.42 0.38 -0.52 -0.21 -1.26 -4.96 119.66 116.50 1g9l s GLN 18 Ca 0.00 1.55 -0.28 0.00 0.02 0.00 0.00 55.36 56.65 1g9l s GLN 18 Cb 0.00 -2.02 -0.11 0.00 1.00 0.00 0.00 33.01 31.88 1g9l s GLN 18 CO 0.00 -0.79 1.50 0.66 -2.12 0.00 0.00 175.29 174.54 1g9l n TYR 19 N -1.29 3.02 -0.99 0.91 4.02 -1.26 -5.02 117.16 116.55 1g9l n TYR 19 Ca 0.11 0.44 0.00 0.00 -0.01 0.00 0.00 57.90 58.44 1g9l n TYR 19 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 39.34 37.29 1g9l n TYR 19 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1g9l n LYS 20 N 0.49 1.36 -2.04 -0.72 5.02 -1.26 -4.92 118.16 116.09 1g9l n LYS 20 Ca 0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 1g9l n LYS 20 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.35 1g9l n LYS 20 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1g9l s TYR 21 N 0.46 1.78 -0.81 2.13 1.51 -1.26 -4.91 117.35 116.25 1g9l s TYR 21 Ca 0.00 0.67 -0.20 0.00 -1.01 0.00 0.00 57.07 56.53 1g9l s TYR 21 Cb 0.00 -4.04 0.11 0.00 -0.11 0.00 0.00 41.96 37.92 1g9l s TYR 21 CO 0.00 -1.83 1.02 0.00 -1.11 0.00 0.00 175.55 173.64 1g9l s ALA 22 N 9.99 3.33 -0.10 3.71 0.00 -1.26 -5.01 121.76 132.42 1g9l s ALA 22 Ca 0.70 -2.47 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 1g9l s ALA 22 Cb -0.08 -3.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1g9l s ALA 22 CO 0.02 -2.83 1.27 0.00 0.00 0.00 0.00 175.76 174.22 1g9l s ALA 23 N 2.98 3.59 -1.26 0.00 0.00 -1.26 -4.94 121.76 120.87 1g9l s ALA 23 Ca 0.27 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 1g9l s ALA 23 Cb -0.10 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1g9l s ALA 23 CO -0.02 -1.00 1.75 0.20 0.00 0.00 0.00 175.76 176.69 1g9l s GLY 24 N 1.83 1.37 -0.01 0.00 0.00 -1.26 -4.58 107.32 104.67 1g9l s GLY 24 Ca 0.57 -2.74 0.20 0.00 0.00 0.00 0.00 44.72 42.75 1g9l s GLY 24 CO 0.19 2.86 0.67 3.33 0.00 0.00 0.00 173.10 180.15 1g9l n VAL 25 N 6.67 0.00 0.82 1.40 0.24 -1.26 -4.19 118.33 122.01 1g9l n VAL 25 Ca 0.47 -0.21 0.13 0.00 -2.04 0.00 0.00 64.34 62.69 1g9l n VAL 25 Cb 0.46 0.62 0.35 0.00 -1.47 0.00 0.00 33.84 33.81 1g9l n VAL 25 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1g9l n ARG 26 N -1.75 0.12 -3.34 7.34 1.85 -1.26 -4.79 116.66 114.83 1g9l n ARG 26 Ca 0.01 0.06 -0.39 0.00 -1.00 0.00 0.00 57.85 56.53 1g9l n ARG 26 Cb 0.39 -1.60 -0.08 0.00 -1.05 0.00 0.00 32.46 30.12 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1g9l s ASN 27 N -3.58 6.42 -0.72 2.89 0.01 -1.26 -4.99 114.94 113.70 1g9l s ASN 27 Ca 0.10 0.50 -0.26 0.00 -0.71 0.00 0.00 52.86 52.49 1g9l s ASN 27 Cb 0.16 -2.25 -0.12 0.00 0.41 0.00 0.00 41.25 39.45 1g9l s ASN 27 CO 0.64 -0.15 2.39 -2.84 -1.51 0.00 0.00 177.10 175.63 1g9l s PRO 28 N 1.70 1.74 0.23 -0.60 0.02 -1.26 -4.93 135.00 131.90 1g9l s PRO 28 Ca 0.19 0.68 -0.04 0.00 0.02 0.00 0.00 61.00 61.86 1g9l s PRO 28 Cb -0.15 -4.74 -0.05 0.00 0.02 0.00 0.00 34.50 29.58 1g9l s PRO 28 CO 0.09 -4.15 0.46 -1.14 -0.33 0.00 0.00 177.00 171.93 1g9l s GLN 29 N 8.69 3.60 0.81 5.54 0.74 -1.26 -5.10 119.66 132.68 1g9l s GLN 29 Ca 0.93 -0.11 -0.14 0.00 0.05 0.00 0.00 55.36 56.09 1g9l s GLN 29 Cb -0.14 -2.75 0.19 0.00 1.10 0.00 0.00 33.01 31.42 1g9l s GLN 29 CO 0.12 0.33 0.89 1.04 -0.55 0.00 0.00 175.29 177.13 1g9l n GLN 30 N -0.59 -1.73 -1.70 1.67 6.02 -1.26 -5.03 117.38 114.76 1g9l n GLN 30 Ca -0.03 -1.40 0.03 0.00 -0.01 0.00 0.00 57.00 55.60 1g9l n GLN 30 Cb 0.53 -1.10 0.02 0.00 1.02 0.00 0.00 30.24 30.72 1g9l n GLN 30 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1g9l n HIS 31 N -3.77 0.19 0.15 1.08 8.25 -1.26 -4.86 115.22 114.99 1g9l n HIS 31 Ca 0.12 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1g9l n HIS 31 Cb 0.43 -0.16 0.19 0.00 1.12 0.00 0.00 29.99 31.58 1g9l n HIS 31 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1g9l h LEU 32 N 1.24 0.00 -3.88 2.41 -0.00 -2.03 -3.05 115.31 109.99 1g9l h LEU 32 Ca -0.22 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.18 1g9l h LEU 32 Cb 1.80 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 42.18 1g9l h LEU 32 CO 0.11 0.57 0.53 0.59 -0.00 0.00 0.00 178.44 180.24 1g9l n ASN 33 N -3.71 4.13 -0.27 0.17 5.03 -1.26 -4.40 115.26 114.95 1g9l n ASN 33 Ca -0.01 -3.67 0.14 0.00 0.87 0.00 0.00 54.58 51.90 1g9l n ASN 33 Cb 0.61 -0.81 0.48 0.00 -1.02 0.00 0.00 39.78 39.03 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1g9l n ALA 34 N -1.10 2.88 -2.57 5.41 0.00 -1.15 -4.86 120.51 119.11 1g9l n ALA 34 Ca 0.55 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1g9l n ALA 34 Cb 1.40 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.36 4.36 0.68 0.00 0.74 -1.26 -5.02 119.66 116.81 1g9l s GLN 35 Ca 0.29 1.52 -0.16 0.00 0.05 0.00 0.00 55.36 57.07 1g9l s GLN 35 Cb 0.20 -3.57 0.01 0.00 1.10 0.00 0.00 33.01 30.75 1g9l s GLN 35 CO 0.46 -0.43 1.17 -1.25 -0.55 0.00 0.00 175.29 174.69 1g9l s PRO 36 N 2.32 2.53 -0.70 1.67 0.04 -1.26 -4.97 135.00 134.63 1g9l s PRO 36 Ca 0.51 1.64 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 1g9l s PRO 36 Cb -0.21 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.56 1g9l s PRO 36 CO 0.18 -1.51 0.82 -0.65 0.04 0.00 0.00 177.00 175.89 1g9l s GLN 37 N -3.86 3.23 0.12 4.56 1.11 -1.26 -4.85 119.66 118.71 1g9l s GLN 37 Ca 0.72 -1.51 0.13 0.00 0.01 0.00 0.00 55.36 54.71 1g9l s GLN 37 Cb -0.26 -4.41 -0.11 0.00 -1.01 0.00 0.00 33.01 27.21 1g9l s GLN 37 CO 0.41 -1.59 1.07 -0.24 0.01 0.00 0.00 175.29 174.96 1g9l h VAL 38 N 5.76 0.94 0.00 1.09 3.04 -2.05 -3.26 116.25 121.76 1g9l h VAL 38 Ca -0.15 -2.51 0.00 0.00 -1.01 0.00 0.00 66.70 63.03 1g9l h VAL 38 Cb 1.07 2.40 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 1g9l h VAL 38 CO 1.07 0.53 -0.04 0.41 -1.01 0.00 0.00 177.57 178.53 1g9l n THR 39 N -3.12 0.09 -2.98 3.17 -1.04 -1.26 -4.59 114.28 104.55 1g9l n THR 39 Ca -0.05 -0.04 -0.44 0.00 -2.04 0.00 0.00 64.05 61.47 1g9l n THR 39 Cb 0.87 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 1g9l n THR 39 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1g9l s MET 40 N -3.02 3.28 -0.94 -2.82 1.00 -1.23 -4.97 119.30 110.60 1g9l s MET 40 Ca 0.13 -1.37 -0.14 0.00 0.00 0.00 0.00 55.69 54.31 1g9l s MET 40 Cb 0.18 -4.48 0.22 0.00 0.00 0.00 0.00 34.83 30.75 1g9l s MET 40 CO 0.55 -1.69 0.96 -0.65 0.00 0.00 0.00 175.02 174.18 1g9l s GLN 41 N 2.99 3.79 -0.31 2.03 -0.21 -1.26 -4.93 119.66 121.76 1g9l s GLN 41 Ca 0.22 -2.54 0.02 0.00 0.02 0.00 0.00 55.36 53.08 1g9l s GLN 41 Cb -0.15 -4.59 0.16 0.00 1.00 0.00 0.00 33.01 29.43 1g9l s GLN 41 CO 0.01 -1.39 0.39 -1.14 -2.12 0.00 0.00 175.29 171.05 1g9l s GLN 42 N 0.33 0.45 -0.67 2.91 0.74 -1.26 -5.10 119.66 117.06 1g9l s GLN 42 Ca 0.25 -0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.32 1g9l s GLN 42 Cb -0.09 -0.41 -0.10 0.00 1.10 0.00 0.00 33.01 33.51 1g9l s GLN 42 CO -0.08 -1.07 2.35 -2.14 -0.55 0.00 0.00 175.29 173.80 1g9l s PRO 43 N 2.32 1.92 0.46 1.67 0.02 -1.26 -4.94 135.00 135.20 1g9l s PRO 43 Ca 0.11 0.81 -0.20 0.00 0.02 0.00 0.00 61.00 61.74 1g9l s PRO 43 Cb -0.13 -4.70 -0.10 0.00 0.02 0.00 0.00 34.50 29.60 1g9l s PRO 43 CO -0.26 -3.81 0.99 0.00 -0.33 0.00 0.00 177.00 173.59 1g9l s ALA 44 N 13.12 2.96 -0.39 -1.55 0.00 -1.26 -4.95 121.76 129.69 1g9l s ALA 44 Ca 0.91 0.48 0.06 0.00 0.00 0.00 0.00 51.96 53.41 1g9l s ALA 44 Cb -0.14 -3.20 0.49 0.00 0.00 0.00 0.00 23.12 20.27 1g9l s ALA 44 CO 0.15 -0.10 1.49 1.33 0.00 0.00 0.00 175.76 178.63 1g9l n VAL 45 N -0.86 2.19 -0.08 0.00 0.24 -1.26 -3.99 118.33 114.57 1g9l n VAL 45 Ca 0.08 -1.12 -0.08 0.00 -2.04 0.00 0.00 64.34 61.18 1g9l n VAL 45 Cb 0.53 -0.52 -0.14 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.14 0.00 -1.90 6.34 8.25 -1.26 -5.00 115.22 121.50 1g9l n HIS 46 Ca 0.30 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.57 1g9l n HIS 46 Cb 1.10 -0.87 0.13 0.00 1.12 0.00 0.00 29.99 31.47 1g9l n HIS 46 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1g9l n VAL 47 N -2.64 0.00 -1.08 1.59 0.24 -1.26 -4.97 118.33 110.21 1g9l n VAL 47 Ca -0.28 -0.82 -0.26 0.00 -2.04 0.00 0.00 64.34 60.94 1g9l n VAL 47 Cb 1.06 -1.47 0.07 0.00 -1.47 0.00 0.00 33.84 32.03 1g9l n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g9l n GLN 48 N -2.80 2.24 0.00 7.34 10.64 -1.26 -4.60 117.38 128.94 1g9l n GLN 48 Ca 0.12 -2.47 0.00 0.00 -1.83 0.00 0.00 57.00 52.82 1g9l n GLN 48 Cb 0.41 -1.97 0.00 0.00 -0.86 0.00 0.00 30.24 27.83 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 -0.38 0.09 3.47 2.61 0.00 -1.26 -4.91 105.19 104.81 1g9l n GLY 49 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.24 3.07 -0.37 1.61 -0.21 -1.26 -5.05 119.66 117.21 1g9l s GLN 50 Ca 0.00 -0.92 -0.22 0.00 0.02 0.00 0.00 55.36 54.24 1g9l s GLN 50 Cb 0.00 -3.95 0.01 0.00 1.00 0.00 0.00 33.01 30.07 1g9l s GLN 50 CO 0.00 -0.72 0.73 -1.21 -2.12 0.00 0.00 175.29 171.97 1g9l s GLU 51 N 1.76 3.69 1.01 2.91 2.02 -1.26 -4.85 118.70 123.99 1g9l s GLU 51 Ca 0.06 0.18 -0.12 0.00 0.02 0.00 0.00 54.97 55.11 1g9l s GLU 51 Cb -0.18 -3.82 0.15 0.00 0.10 0.00 0.00 34.13 30.37 1g9l s GLU 51 CO 0.11 -0.83 0.79 -2.30 0.02 0.00 0.00 175.26 173.05 1g9l n PRO 52 N 6.31 -1.05 -2.97 0.39 -0.02 -1.26 -4.99 135.00 131.41 1g9l n PRO 52 Ca 0.01 -0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 60.92 1g9l n PRO 52 Cb 0.48 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 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 -4.76 3.93 0.00 2.45 2.96 -1.26 -4.94 118.68 117.06 1g9l s LEU 53 Ca 0.64 1.22 -0.10 0.00 -0.22 0.00 0.00 54.13 55.66 1g9l s LEU 53 Cb -0.22 -4.06 0.04 0.00 0.50 0.00 0.00 46.19 42.45 1g9l s LEU 53 CO 0.63 -0.32 0.51 0.41 -1.32 0.00 0.00 176.35 176.27 1g9l n THR 54 N -0.87 0.00 -0.16 3.68 -1.04 -1.26 -4.79 114.28 109.84 1g9l n THR 54 Ca 0.03 -0.44 0.20 0.00 -2.04 0.00 0.00 64.05 61.80 1g9l n THR 54 Cb 0.54 0.50 0.59 0.00 -1.82 0.00 0.00 70.33 70.14 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 2.38 -0.05 2.41 0.00 -1.63 -0.37 119.26 123.99 1g9l h ALA 55 Ca -0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 55 Cb 0.69 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1g9l h ALA 55 CO 0.22 -0.61 -0.01 0.77 0.00 0.00 0.00 179.25 179.62 1g9l h SER 56 N 0.24 0.10 -0.73 0.00 0.02 -1.88 -1.21 113.55 110.09 1g9l h SER 56 Ca 0.39 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1g9l h SER 56 Cb 1.17 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 1g9l h SER 56 CO -0.09 0.44 0.48 0.24 -1.14 0.00 0.00 176.83 176.76 1g9l h MET 57 N -0.24 0.90 -0.41 3.45 2.07 -1.53 -1.88 114.93 117.29 1g9l h MET 57 Ca 0.01 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1g9l h MET 57 Cb 0.39 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 1g9l h MET 57 CO 0.00 0.60 0.10 -0.07 1.07 0.00 0.00 176.91 178.61 1g9l h LEU 58 N 0.93 0.62 -0.08 1.22 3.38 -0.97 -1.66 115.31 118.74 1g9l h LEU 58 Ca 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1g9l h LEU 58 Cb -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1g9l h LEU 58 CO -0.08 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1g9l n ALA 59 N -2.35 1.42 1.31 1.53 0.00 -0.47 -1.66 120.51 120.29 1g9l n ALA 59 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1g9l n ALA 59 Cb 0.20 -1.17 0.66 0.00 0.00 0.00 0.00 19.45 19.14 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 0.00 -3.81 0.00 2.88 -0.62 -4.52 113.62 105.99 1g9l n SER 60 Ca 0.02 -0.40 -0.28 0.00 -1.33 0.00 0.00 58.87 56.88 1g9l n SER 60 Cb 0.11 -0.15 -0.16 0.00 -0.75 0.00 0.00 64.21 63.26 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 -2.29 1.34 0.78 -1.46 0.00 -0.67 -5.09 121.76 114.37 1g9l s ALA 61 Ca 0.29 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1g9l s ALA 61 Cb 0.16 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1g9l s ALA 61 CO 0.32 -1.15 0.00 -2.30 0.00 0.00 0.00 175.76 172.63 1g9l n PRO 62 N 4.92 1.41 0.09 0.00 -0.02 -1.26 -3.65 135.00 136.49 1g9l n PRO 62 Ca -0.10 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.39 1g9l n PRO 62 Cb 0.46 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.99 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 -0.02 0.02 0.00 0.52 -0.02 -1.26 -3.00 135.00 131.24 1g9l n PRO 63 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1g9l n PRO 63 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.49 0.00 0.00 -0.52 1.13 -1.26 -4.77 117.38 110.47 1g9l n GLN 64 Ca -0.00 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1g9l n GLN 64 Cb 0.56 -0.72 0.00 0.00 0.11 0.00 0.00 30.24 30.19 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1g9l n GLU 65 N -0.41 0.00 0.00 -1.09 -0.58 -1.16 -4.93 120.64 112.47 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 -0.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 1g9l n GLU 65 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1g9l n GLN 66 N -1.44 0.00 -0.44 3.49 7.27 -1.24 -2.38 117.38 122.64 1g9l n GLN 66 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 1g9l n GLN 66 Cb 0.00 0.00 0.20 0.00 2.41 0.00 0.00 30.24 32.85 1g9l n GLN 66 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1g9l n LYS 67 N 0.00 2.91 -0.02 3.69 5.02 -1.26 -3.93 118.16 124.57 1g9l n LYS 67 Ca 0.00 -1.57 -0.03 0.00 -2.02 0.00 0.00 58.31 54.70 1g9l n LYS 67 Cb 0.00 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 33.13 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g9l n GLN 68 N 0.33 0.63 0.00 1.97 1.13 -1.00 -4.65 117.38 115.78 1g9l n GLN 68 Ca 0.14 0.02 0.14 0.00 -1.94 0.00 0.00 57.00 55.36 1g9l n GLN 68 Cb 0.71 -1.08 0.67 0.00 0.11 0.00 0.00 30.24 30.64 1g9l n GLN 68 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1g9l n MET 69 N -2.54 0.24 -0.09 -1.09 2.81 -1.25 -3.08 117.12 112.12 1g9l n MET 69 Ca -0.07 -0.02 0.02 0.00 -1.81 0.00 0.00 57.70 55.82 1g9l n MET 69 Cb 0.58 -1.50 0.32 0.00 -0.71 0.00 0.00 33.22 31.91 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 1g9l h LEU 70 N 0.04 0.65 -2.67 4.03 8.10 -1.83 -3.11 115.31 120.52 1g9l h LEU 70 Ca 0.00 -0.03 -0.14 0.00 0.11 0.00 0.00 57.88 57.81 1g9l h LEU 70 Cb 0.40 -0.16 -0.29 0.00 -0.44 0.00 0.00 40.66 40.16 1g9l h LEU 70 CO 0.00 0.51 -0.84 0.61 -4.11 0.00 0.00 178.44 174.61 1g9l n GLY 71 N -1.34 0.86 0.00 0.17 0.00 -1.25 -4.64 105.19 98.99 1g9l n GLY 71 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.35 0.15 0.00 1.61 1.02 -1.18 -3.97 120.64 118.63 1g9l n GLU 72 Ca 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1g9l n GLU 72 Cb 1.01 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 32.24 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 -0.02 2.41 0.14 3.49 0.00 -1.20 -4.70 116.66 116.77 1g9l n ARG 73 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 1g9l n ARG 73 Cb 0.08 -0.78 0.08 0.00 0.00 0.00 0.00 32.46 31.84 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 -0.94 6.15 3.38 -1.80 -3.36 115.31 118.74 1g9l h LEU 74 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1g9l h LEU 74 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 1g9l h LEU 74 CO 0.00 0.56 -0.32 0.33 0.09 0.00 0.00 178.44 179.10 1g9l n PHE 75 N -3.34 0.13 0.24 1.13 7.35 -1.26 0.65 117.46 122.36 1g9l n PHE 75 Ca 0.01 1.15 0.12 0.00 -0.76 0.00 0.00 57.45 57.97 1g9l n PHE 75 Cb 0.71 -0.92 0.52 0.00 0.35 0.00 0.00 39.48 40.15 1g9l n PHE 75 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1g9l h PRO 76 N 0.00 0.00 0.00 -7.13 0.11 -1.91 -3.02 132.00 120.05 1g9l h PRO 76 Ca 0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.39 1g9l h PRO 76 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1g9l h PRO 76 CO -0.94 0.16 -1.04 -0.07 -0.21 0.00 0.00 178.00 175.89 1g9l h LEU 77 N 0.00 0.00 -0.38 2.35 3.38 0.02 -3.34 115.31 117.34 1g9l h LEU 77 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1g9l h LEU 77 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1g9l h LEU 77 CO 0.02 0.32 -0.63 0.40 0.09 0.00 0.00 178.44 178.63 1g9l h ILE 78 N 0.00 1.31 0.00 1.22 1.08 -0.33 -2.69 117.51 118.11 1g9l h ILE 78 Ca -0.07 -1.89 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 1g9l h ILE 78 Cb 1.31 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1g9l h ILE 78 CO 0.03 0.59 0.21 0.00 -0.69 0.00 0.00 178.15 178.29 1g9l n GLN 79 N -3.94 0.10 0.07 2.37 6.02 -1.20 0.44 117.38 121.24 1g9l n GLN 79 Ca -0.05 0.58 -0.18 0.00 -0.01 0.00 0.00 57.00 57.35 1g9l n GLN 79 Cb 0.66 -2.05 -0.14 0.00 1.02 0.00 0.00 30.24 29.73 1g9l n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l h ALA 80 N 1.42 0.22 -0.12 -1.58 0.00 -1.66 -3.15 119.26 114.40 1g9l h ALA 80 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 54.91 53.64 1g9l h ALA 80 Cb 0.43 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1g9l h ALA 80 CO 0.00 1.09 -0.65 0.52 0.00 0.00 0.00 179.25 180.21 1g9l h MET 81 N 0.08 0.44 -5.93 0.00 2.86 -0.08 -3.46 114.93 108.85 1g9l h MET 81 Ca -0.26 -0.32 -0.57 0.00 -2.06 0.00 0.00 59.70 56.49 1g9l h MET 81 Cb 2.04 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 33.61 1g9l h MET 81 CO 0.17 0.94 -0.72 -1.01 1.06 0.00 0.00 176.91 177.36 1g9l s HIS 82 N -3.78 2.18 -0.55 -0.22 4.02 -0.78 -5.03 115.29 111.13 1g9l s HIS 82 Ca -0.06 -0.47 -0.26 0.00 1.02 0.00 0.00 55.06 55.29 1g9l s HIS 82 Cb 0.11 -1.09 -0.25 0.00 -1.02 0.00 0.00 32.58 30.34 1g9l s HIS 82 CO 0.84 0.56 1.81 -2.30 1.02 0.00 0.00 174.74 176.67 1g9l n PRO 83 N -0.62 0.76 -1.87 8.40 -0.02 -1.26 -3.96 135.00 136.43 1g9l n PRO 83 Ca -0.06 -1.57 -0.12 0.00 -2.02 0.00 0.00 63.50 59.74 1g9l n PRO 83 Cb 0.62 -2.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.10 1g9l n PRO 83 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1g9l n THR 84 N 6.96 -0.26 1.54 3.45 -1.04 -1.19 -4.77 114.28 118.96 1g9l n THR 84 Ca 0.47 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.57 1g9l n THR 84 Cb 0.43 -1.37 0.40 0.00 -1.82 0.00 0.00 70.33 67.96 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1g9l n LEU 85 N -2.26 0.95 -2.01 -4.42 4.77 -1.25 -4.30 117.00 108.47 1g9l n LEU 85 Ca -0.13 -0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 55.31 1g9l n LEU 85 Cb 0.49 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1g9l n LEU 85 CO 0.17 0.20 1.48 0.00 -1.33 0.00 0.00 177.39 177.91 1g9l n ALA 86 N -0.13 5.90 0.42 -1.18 0.00 -1.26 -4.28 120.51 119.98 1g9l n ALA 86 Ca 0.14 -1.77 0.06 0.00 0.00 0.00 0.00 53.44 51.87 1g9l n ALA 86 Cb 0.20 -1.99 0.21 0.00 0.00 0.00 0.00 19.45 17.87 1g9l n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 87 N 1.82 1.39 0.00 0.00 0.00 -1.26 -4.46 105.19 102.67 1g9l n GLY 87 Ca 0.36 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.68 0.00 0.00 1.61 4.81 -1.26 -5.03 118.16 118.98 1g9l n LYS 88 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1g9l n LYS 88 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 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 -0.30 3.15 5.41 -1.26 0.13 119.36 126.49 1g9l n ILE 89 Ca 0.00 0.87 0.12 0.00 1.00 0.00 0.00 62.75 64.74 1g9l n ILE 89 Cb 0.00 -1.62 0.35 0.00 -0.71 0.00 0.00 39.64 37.66 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 0.82 -0.03 1.39 2.02 -1.91 0.88 112.91 116.07 1g9l h THR 90 Ca 0.00 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.93 1g9l h THR 90 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1g9l h THR 90 CO 0.00 0.14 0.02 1.23 0.37 0.00 0.00 175.52 177.28 1g9l h GLY 91 N 0.75 0.00 1.35 2.16 0.00 -1.65 -0.00 103.07 105.67 1g9l h GLY 91 Ca 0.49 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.57 1g9l h GLY 91 CO -0.25 0.00 -1.00 1.98 0.00 0.00 0.00 176.54 177.27 1g9l h MET 92 N 0.00 0.59 0.00 4.80 -1.53 0.82 -3.16 114.93 116.45 1g9l h MET 92 Ca 0.01 -0.63 0.00 0.00 -3.44 0.00 0.00 59.70 55.65 1g9l h MET 92 Cb 0.06 0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 1g9l h MET 92 CO -0.00 1.24 0.13 1.28 0.14 0.00 0.00 176.91 179.69 1g9l n LEU 93 N -3.81 0.00 -1.71 3.39 7.99 0.12 0.14 117.00 123.12 1g9l n LEU 93 Ca -0.09 0.35 -0.12 0.00 -0.01 0.00 0.00 56.01 56.14 1g9l n LEU 93 Cb 0.86 -0.35 0.21 0.00 -0.11 0.00 0.00 43.42 44.03 1g9l n LEU 93 CO 0.54 -0.35 0.99 0.18 -1.51 0.00 0.00 177.39 177.24 1g9l n LEU 94 N -1.34 5.48 0.00 2.23 4.32 -1.18 -3.94 117.00 122.56 1g9l n LEU 94 Ca 0.00 -3.59 0.00 0.00 -0.02 0.00 0.00 56.01 52.40 1g9l n LEU 94 Cb 0.13 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.20 1g9l n LEU 94 CO 0.00 1.08 0.00 -1.84 -1.22 0.00 0.00 177.39 175.41 1g9l n GLU 95 N -0.97 0.00 0.00 3.23 0.28 0.37 -5.10 120.64 118.45 1g9l n GLU 95 Ca 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.45 1g9l n GLU 95 Cb 1.35 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.22 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 0.16 -4.63 119.36 118.73 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 0.11 -0.01 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 -4.76 116.55 119.84 1g9l n ASP 97 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1g9l n ASP 97 Cb 0.00 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.23 0.00 0.09 1.67 4.13 -1.26 -4.69 115.26 113.97 1g9l n ASN 98 Ca 0.00 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 1g9l n ASN 98 Cb 0.03 -0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.25 1g9l n ASN 98 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1g9l h SER 99 N 0.00 0.00 1.26 6.41 0.87 -1.97 -2.79 113.55 117.34 1g9l h SER 99 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1g9l h SER 99 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1g9l h SER 99 CO 0.00 0.84 -0.34 -0.33 -0.53 0.00 0.00 176.83 176.46 1g9l h GLU 100 N 0.00 0.00 0.00 2.24 5.08 -1.92 0.13 114.58 120.11 1g9l h GLU 100 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1g9l h GLU 100 Cb 1.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1g9l h GLU 100 CO 0.11 0.34 -0.46 1.25 -1.00 0.00 0.00 179.01 179.25 1g9l h LEU 101 N 0.00 0.00 0.06 1.33 5.85 -1.65 -2.18 115.31 118.72 1g9l h LEU 101 Ca -0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1g9l h LEU 101 Cb 1.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1g9l h LEU 101 CO 0.04 0.46 -1.70 0.18 -0.34 0.00 0.00 178.44 177.08 1g9l n LEU 102 N -3.42 2.27 -0.21 2.25 4.32 -1.06 -3.96 117.00 117.18 1g9l n LEU 102 Ca 0.00 0.30 -0.08 0.00 -0.02 0.00 0.00 56.01 56.22 1g9l n LEU 102 Cb 0.61 -1.04 0.03 0.00 -1.62 0.00 0.00 43.42 41.40 1g9l n LEU 102 CO 0.39 0.58 0.92 -0.74 -1.22 0.00 0.00 177.39 177.32 1g9l h HIS 103 N -0.46 1.01 -0.84 -1.77 2.76 -0.84 -2.32 115.15 112.70 1g9l h HIS 103 Ca -0.41 -0.12 0.08 0.00 -2.20 0.00 0.00 60.37 57.73 1g9l h HIS 103 Cb 1.68 -0.29 -0.06 0.00 1.55 0.00 0.00 27.41 30.30 1g9l h HIS 103 CO 0.08 0.85 0.55 0.00 -1.30 0.00 0.00 177.93 178.10 1g9l h MET 104 N 0.88 0.84 0.00 5.26 -0.00 -1.58 0.29 114.93 120.60 1g9l h MET 104 Ca 0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 1g9l h MET 104 Cb 0.35 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 1g9l h MET 104 CO 0.00 0.55 -0.03 1.28 -0.00 0.00 0.00 176.91 178.72 1g9l n LEU 105 N -4.50 0.29 -0.21 -0.10 4.77 -1.02 -3.15 117.00 113.08 1g9l n LEU 105 Ca 0.13 0.50 0.04 0.00 -0.03 0.00 0.00 56.01 56.66 1g9l n LEU 105 Cb 0.26 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1g9l n LEU 105 CO 0.32 -0.06 0.21 -1.84 -1.33 0.00 0.00 177.39 174.70 1g9l n GLU 106 N -1.76 2.05 -3.78 3.23 -0.00 0.19 -4.82 120.64 115.75 1g9l n GLU 106 Ca 0.06 -0.59 -0.13 0.00 -0.00 0.00 0.00 57.16 56.50 1g9l n GLU 106 Cb 0.37 -1.05 -0.13 0.00 -0.00 0.00 0.00 31.44 30.63 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 -1.22 -0.15 0.00 -1.84 0.15 0.77 -5.01 113.70 106.40 1g9l s SER 107 Ca 0.07 0.33 0.13 0.00 0.70 0.00 0.00 55.95 57.19 1g9l s SER 107 Cb 0.07 0.27 0.80 0.00 -1.71 0.00 0.00 66.02 65.45 1g9l s SER 107 CO 0.21 -0.11 1.27 -2.65 1.20 0.00 0.00 173.24 173.17 1g9l n PRO 108 N 3.65 0.65 0.00 5.44 -0.02 -1.26 -2.30 135.00 141.16 1g9l n PRO 108 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1g9l n PRO 108 Cb 0.55 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g9l n GLU 109 N -0.82 3.52 -0.02 -0.52 1.02 -1.26 -4.69 120.64 117.87 1g9l n GLU 109 Ca 0.10 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.08 1g9l n GLU 109 Cb 0.05 -0.57 -0.12 0.00 -0.02 0.00 0.00 31.44 30.78 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1g9l h SER 110 N 0.00 0.26 -0.99 1.62 0.02 -1.70 0.21 113.55 112.96 1g9l h SER 110 Ca 0.00 -0.80 0.28 0.00 -0.84 0.00 0.00 61.79 60.43 1g9l h SER 110 Cb 0.00 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 62.33 1g9l h SER 110 CO 0.00 1.02 0.55 0.25 -1.14 0.00 0.00 176.83 177.52 1g9l h LEU 111 N -0.48 0.56 0.00 5.07 7.12 -1.62 0.41 115.31 126.36 1g9l h LEU 111 Ca -0.04 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1g9l h LEU 111 Cb 1.07 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1g9l h LEU 111 CO 0.06 -0.01 -0.04 -0.09 -0.13 0.00 0.00 178.44 178.22 1g9l h ARG 112 N 0.45 0.00 -0.64 1.25 2.43 -1.82 -2.94 114.38 113.11 1g9l h ARG 112 Ca 0.67 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.97 1g9l h ARG 112 Cb 1.40 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.83 1g9l h ARG 112 CO -0.54 0.00 -0.14 0.77 -1.51 0.00 0.00 179.97 178.55 1g9l h SER 113 N -0.45 -0.55 0.12 -3.80 0.02 -0.38 0.36 113.55 108.88 1g9l h SER 113 Ca 0.00 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1g9l h SER 113 Cb 0.04 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1g9l h SER 113 CO 0.00 -0.20 -0.17 0.11 -1.14 0.00 0.00 176.83 175.43 1g9l h LYS 114 N 0.01 0.11 0.30 3.45 1.79 -0.37 0.31 116.57 122.17 1g9l h LYS 114 Ca 0.31 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 1g9l h LYS 114 Cb 0.48 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1g9l h LYS 114 CO -0.64 0.29 -0.15 0.28 -1.08 0.00 0.00 179.45 178.15 1g9l h VAL 115 N 0.11 0.50 -0.79 0.50 2.07 -0.22 0.39 116.25 118.81 1g9l h VAL 115 Ca 0.02 -0.80 0.13 0.00 0.82 0.00 0.00 66.70 66.87 1g9l h VAL 115 Cb 0.37 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1g9l h VAL 115 CO 0.02 0.12 0.52 -0.78 0.02 0.00 0.00 177.57 177.47 1g9l h ASP 116 N -0.95 0.54 0.58 0.57 1.82 -0.72 0.30 116.42 118.56 1g9l h ASP 116 Ca -0.04 0.02 -0.18 0.00 -0.39 0.00 0.00 57.03 56.45 1g9l h ASP 116 Cb 0.50 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1g9l h ASP 116 CO 0.07 0.29 -0.79 -0.33 -1.61 0.00 0.00 179.24 176.87 1g9l h GLU 117 N 0.58 0.15 0.00 0.28 5.08 -0.91 -2.92 114.58 116.85 1g9l h GLU 117 Ca 0.38 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1g9l h GLU 117 Cb 0.68 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1g9l h GLU 117 CO -0.15 0.86 -0.38 0.00 -1.00 0.00 0.00 179.01 178.35 1g9l h ALA 118 N 1.09 1.28 -0.11 3.43 0.00 0.32 -2.73 119.26 122.54 1g9l h ALA 118 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1g9l h ALA 118 Cb 1.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1g9l h ALA 118 CO 0.12 0.47 0.06 0.28 0.00 0.00 0.00 179.25 180.18 1g9l h VAL 119 N 0.00 1.01 -0.21 0.00 2.07 -0.59 0.96 116.25 119.48 1g9l h VAL 119 Ca -0.00 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1g9l h VAL 119 Cb 0.71 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1g9l h VAL 119 CO 0.05 0.02 0.23 0.00 0.02 0.00 0.00 177.57 177.89 1g9l h ALA 120 N 1.05 1.87 0.01 1.67 0.00 -1.46 0.26 119.26 122.66 1g9l h ALA 120 Ca 0.04 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1g9l h ALA 120 Cb -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1g9l h ALA 120 CO -0.02 -0.34 -1.49 0.28 0.00 0.00 0.00 179.25 177.68 1g9l h VAL 121 N 0.00 1.13 -0.16 0.00 2.07 -0.69 -3.06 116.25 115.53 1g9l h VAL 121 Ca 0.10 -2.92 -0.20 0.00 0.82 0.00 0.00 66.70 64.51 1g9l h VAL 121 Cb 0.56 2.58 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1g9l h VAL 121 CO -0.00 0.67 -0.67 0.25 0.02 0.00 0.00 177.57 177.84 1g9l h LEU 122 N 0.01 0.87 -1.07 2.57 5.85 0.35 -0.23 115.31 123.66 1g9l h LEU 122 Ca -0.20 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 57.83 1g9l h LEU 122 Cb 1.94 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 1g9l h LEU 122 CO 0.10 1.34 -0.08 1.56 -0.34 0.00 0.00 178.44 181.02 1g9l h GLN 123 N 0.45 0.57 0.00 1.25 1.08 -0.76 -2.83 115.11 114.86 1g9l h GLN 123 Ca -0.04 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1g9l h GLN 123 Cb 1.30 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1g9l h GLN 123 CO 0.14 0.65 0.00 0.00 -0.95 0.00 0.00 178.83 178.67 1g9l n ALA 124 N -2.48 -0.07 -0.30 3.87 0.00 -1.15 -2.93 120.51 117.45 1g9l n ALA 124 Ca 0.01 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.70 1g9l n ALA 124 Cb 0.31 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.17 1g9l n ALA 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g9l n HIS 125 N -1.00 0.36 0.00 0.00 -0.00 -0.10 0.12 115.22 114.59 1g9l n HIS 125 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 1g9l n HIS 125 Cb 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 29.99 29.26 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g9l n GLN 126 N -3.76 0.00 -1.07 1.57 1.13 -1.07 -4.31 117.38 109.88 1g9l n GLN 126 Ca 0.24 0.06 -0.22 0.00 -1.94 0.00 0.00 57.00 55.14 1g9l n GLN 126 Cb 0.97 -0.81 0.13 0.00 0.11 0.00 0.00 30.24 30.64 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n ALA 127 N -0.69 5.30 -1.82 -1.58 0.00 -0.31 -4.83 120.51 116.58 1g9l n ALA 127 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1g9l n ALA 127 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.80 3.06 -0.37 0.00 2.85 0.31 -4.94 118.16 118.29 1g9l n LYS 128 Ca 0.51 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.76 1g9l n LYS 128 Cb 1.29 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 35.79 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 0.00 2.13 0.20 -1.58 2.13 -1.26 -4.30 120.64 117.97 1g9l n GLU 129 Ca 0.00 -1.13 0.14 0.00 0.66 0.00 0.00 57.16 56.83 1g9l n GLU 129 Cb 0.00 -1.67 0.75 0.00 0.27 0.00 0.00 31.44 30.78 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g9l h ALA 130 N 2.40 1.96 -0.04 4.31 0.00 -1.87 -1.88 119.26 124.14 1g9l h ALA 130 Ca 0.07 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1g9l h ALA 130 Cb 1.24 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1g9l h ALA 130 CO 0.25 -0.20 -0.61 0.00 0.00 0.00 0.00 179.25 178.70 1g9l h ALA 131 N 1.89 0.12 -1.46 0.00 0.00 -1.89 -3.40 119.26 114.52 1g9l h ALA 131 Ca 0.07 -0.56 -0.59 0.00 0.00 0.00 0.00 54.91 53.83 1g9l h ALA 131 Cb 0.31 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 1g9l h ALA 131 CO -0.00 0.39 0.96 -0.65 0.00 0.00 0.00 179.25 179.95 1g9l s GLN 132 N -3.38 3.27 -0.17 0.00 -0.21 -0.71 -4.82 119.66 113.64 1g9l s GLN 132 Ca -0.13 -0.70 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 1g9l s GLN 132 Cb 0.04 -4.46 -0.22 0.00 1.00 0.00 0.00 33.01 29.37 1g9l s GLN 132 CO 0.83 -2.03 0.31 0.87 -2.12 0.00 0.00 175.29 173.15 1g9l h LYS 133 N 9.75 0.11 -7.37 2.91 1.57 -1.79 -3.48 116.57 118.27 1g9l h LYS 133 Ca -0.16 -0.20 -0.47 0.00 -1.87 0.00 0.00 60.65 57.95 1g9l h LYS 133 Cb 1.05 0.07 0.15 0.00 0.08 0.00 0.00 32.23 33.58 1g9l h LYS 133 CO 1.26 1.09 0.24 0.00 -0.57 0.00 0.00 179.45 181.47 1g9l s ALA 134 N -2.44 1.37 -0.49 3.86 0.00 -1.26 -4.98 121.76 117.83 1g9l s ALA 134 Ca -0.26 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 1g9l s ALA 134 Cb 0.06 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1g9l s ALA 134 CO 0.67 -2.50 0.78 0.08 0.00 0.00 0.00 175.76 174.78 1g9l s VAL 135 N -3.00 4.65 0.10 0.00 1.01 -1.26 -4.90 120.40 117.00 1g9l s VAL 135 Ca 0.64 0.15 0.34 0.00 0.00 0.00 0.00 61.98 63.10 1g9l s VAL 135 Cb -0.18 -4.36 0.37 0.00 0.00 0.00 0.00 36.38 32.21 1g9l s VAL 135 CO 0.57 -0.83 2.00 -0.55 0.00 0.00 0.00 175.10 176.29 1g9l h ASN 136 N 9.06 0.00 -2.94 3.32 -1.07 -1.97 -3.36 115.58 118.63 1g9l h ASN 136 Ca -0.26 0.00 -0.74 0.00 0.07 0.00 0.00 56.30 55.37 1g9l h ASN 136 Cb 1.09 0.00 -0.21 0.00 -2.07 0.00 0.00 38.32 37.12 1g9l h ASN 136 CO 0.99 0.00 0.63 -0.44 0.07 0.00 0.00 177.43 178.68 1g9l s SER 137 N -5.27 6.79 -0.18 6.14 0.01 -1.26 -5.02 113.70 114.91 1g9l s SER 137 Ca 0.00 -2.51 -0.25 0.00 1.31 0.00 0.00 55.95 54.51 1g9l s SER 137 Cb 0.10 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1g9l s SER 137 CO 0.48 -0.80 0.81 0.00 0.41 0.00 0.00 173.24 174.14 1g9l s ALA 138 N 1.39 3.54 -0.10 1.44 0.00 -1.26 -5.05 121.76 121.73 1g9l s ALA 138 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1g9l s ALA 138 Cb -0.07 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1g9l s ALA 138 CO -0.08 -0.69 0.02 0.99 0.00 0.00 0.00 175.76 176.00 1g9l s THR 139 N 2.24 4.43 0.00 0.00 2.01 -1.26 -5.09 115.64 117.97 1g9l s THR 139 Ca 0.37 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1g9l s THR 139 Cb -0.16 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1g9l s THR 139 CO 0.11 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 1g9l n GLY 140 N 2.32 1.77 3.78 4.40 0.00 -1.26 -4.94 105.19 111.26 1g9l n GLY 140 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 3.93 0.37 1.61 -7.23 -1.26 -5.00 120.40 112.82 1g9l s VAL 141 Ca 0.00 1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 61.52 1g9l s VAL 141 Cb 0.00 -3.91 -0.11 0.00 0.56 0.00 0.00 36.38 32.91 1g9l s VAL 141 CO 0.00 0.16 1.39 -2.65 -0.31 0.00 0.00 175.10 173.69 1g9l n PRO 142 N 0.51 2.40 0.00 4.82 -0.02 -1.26 -4.91 135.00 136.53 1g9l n PRO 142 Ca 0.02 0.84 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 1g9l n PRO 142 Cb 0.49 -2.52 0.18 0.00 -0.02 0.00 0.00 33.50 31.64 1g9l n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1g9l n THR 143 N 0.33 0.00 0.63 3.45 -2.24 -1.26 -5.27 114.28 109.91 1g9l n THR 143 Ca 0.03 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1g9l n THR 143 Cb 0.38 0.55 0.06 0.00 -2.10 0.00 0.00 70.33 69.22 1g9l n THR 143 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83