#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1l s VAL 17 N 0.00 5.40 0.00 1.39 1.01 0.82 -4.13 120.40 124.89 1k1l s VAL 17 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1k1l s VAL 17 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1k1l s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1k1l n GLY 18 N 3.11 0.30 0.00 4.51 0.00 -1.22 -0.94 105.19 110.96 1k1l n GLY 18 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1k1l n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1l n GLY 19 N -1.35 0.52 3.12 -0.02 0.00 -1.26 -4.87 105.19 101.34 1k1l n GLY 19 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1k1l n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1l s TYR 20 N 0.93 0.41 0.03 1.61 1.13 0.47 -4.92 117.35 117.00 1k1l s TYR 20 Ca 0.00 -0.92 -0.30 0.00 -1.41 0.00 0.00 57.07 54.44 1k1l s TYR 20 Cb 0.00 -0.29 -0.07 0.00 -1.10 0.00 0.00 41.96 40.50 1k1l s TYR 20 CO 0.00 -0.43 1.64 0.99 -2.51 0.00 0.00 175.55 175.24 1k1l s THR 21 N -3.88 3.27 0.06 -3.49 2.01 -1.26 0.38 115.64 112.73 1k1l s THR 21 Ca 0.06 0.60 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 1k1l s THR 21 Cb 0.07 -3.39 -0.17 0.00 0.01 0.00 0.00 72.50 69.02 1k1l s THR 21 CO -0.10 -0.02 1.53 0.00 -0.69 0.00 0.00 174.62 175.33 1k1l n GLY 23 N -1.07 3.70 3.66 0.00 0.00 -1.26 -4.86 105.19 105.37 1k1l n GLY 23 Ca -0.11 -1.45 -0.61 0.00 0.00 0.00 0.00 46.02 43.84 1k1l n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1l n ALA 24 N -0.13 -0.50 -2.37 4.61 0.00 -1.26 -1.93 120.51 118.92 1k1l n ALA 24 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 1k1l n ALA 24 Cb 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.32 1k1l n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k1l n ASN 25 N 5.39 -4.76 0.09 0.00 3.02 -1.26 -4.85 115.26 112.88 1k1l n ASN 25 Ca 0.32 0.12 0.13 0.00 -0.03 0.00 0.00 54.58 55.12 1k1l n ASN 25 Cb 0.05 -4.02 0.42 0.00 -0.61 0.00 0.00 39.78 35.62 1k1l n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k1l n THR 26 N -3.57 0.49 -3.54 3.41 -2.24 -0.81 -3.88 114.28 104.12 1k1l n THR 26 Ca -0.19 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 1k1l n THR 26 Cb 0.64 -0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 1k1l n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k1l n VAL 27 N -2.13 1.19 0.15 2.28 0.31 -1.26 -4.97 118.33 113.89 1k1l n VAL 27 Ca 0.06 -4.68 0.07 0.00 -0.01 0.00 0.00 64.34 59.78 1k1l n VAL 27 Cb 0.42 -2.05 0.38 0.00 -0.91 0.00 0.00 33.84 31.67 1k1l n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1k1l n PRO 28 N 1.56 0.09 0.00 5.55 -0.04 -1.25 -1.91 135.00 139.00 1k1l n PRO 28 Ca 0.25 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 1k1l n PRO 28 Cb 0.42 -1.78 0.10 0.00 -0.04 0.00 0.00 33.50 32.20 1k1l n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1k1l n TYR 29 N -1.97 0.00 -2.32 0.54 0.18 -1.15 -1.99 117.16 110.45 1k1l n TYR 29 Ca -0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1k1l n TYR 29 Cb 0.05 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 38.97 1k1l n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1k1l s GLN 30 N -2.20 4.38 0.05 -3.48 2.00 -0.80 -1.10 119.66 118.52 1k1l s GLN 30 Ca 0.25 1.89 0.09 0.00 -2.00 0.00 0.00 55.36 55.59 1k1l s GLN 30 Cb 0.19 -3.32 -0.03 0.00 0.80 0.00 0.00 33.01 30.66 1k1l s GLN 30 CO 0.41 -0.34 -0.25 0.08 -0.50 0.00 0.00 175.29 174.69 1k1l s VAL 31 N 1.12 2.24 -0.19 1.34 1.01 -0.26 -4.48 120.40 121.18 1k1l s VAL 31 Ca 0.61 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1k1l s VAL 31 Cb -0.32 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1k1l s VAL 31 CO 0.29 0.34 -0.08 -0.55 0.00 0.00 0.00 175.10 175.11 1k1l s SER 32 N -1.32 4.16 -0.22 3.32 0.15 -0.90 -1.53 113.70 117.35 1k1l s SER 32 Ca 0.12 -0.37 -0.19 0.00 0.70 0.00 0.00 55.95 56.21 1k1l s SER 32 Cb -0.10 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 1k1l s SER 32 CO 0.03 0.05 0.57 -0.76 1.20 0.00 0.00 173.24 174.32 1k1l s LEU 33 N 1.04 4.11 0.01 3.45 1.43 0.42 -0.85 118.68 128.30 1k1l s LEU 33 Ca 0.00 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 53.86 1k1l s LEU 33 Cb -0.15 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1k1l s LEU 33 CO -0.01 -0.26 -0.22 0.21 0.23 0.00 0.00 176.35 176.30 1k1l s ASN 34 N 1.30 2.60 -0.39 2.29 3.84 0.52 -2.07 114.94 123.03 1k1l s ASN 34 Ca 0.25 -0.46 0.11 0.00 0.21 0.00 0.00 52.86 52.97 1k1l s ASN 34 Cb -0.16 -0.26 0.35 0.00 -0.55 0.00 0.00 41.25 40.64 1k1l s ASN 34 CO 0.09 0.23 0.86 -1.54 -2.79 0.00 0.00 177.10 173.96 1k1l n SER 37 N 2.22 0.05 0.00 -4.21 3.41 -1.26 -0.80 113.62 113.03 1k1l n SER 37 Ca -0.16 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.32 1k1l n SER 37 Cb 0.53 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1k1l n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k1l n GLY 38 N 0.24 0.89 3.63 5.00 0.00 -1.26 -4.94 105.19 108.75 1k1l n GLY 38 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1k1l n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1l s TYR 39 N -3.17 -0.06 -0.07 1.61 1.13 -1.26 -5.14 117.35 110.39 1k1l s TYR 39 Ca 0.00 0.04 -0.30 0.00 -1.41 0.00 0.00 57.07 55.40 1k1l s TYR 39 Cb 0.00 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.35 1k1l s TYR 39 CO 0.00 -0.08 1.03 -1.58 -2.51 0.00 0.00 175.55 172.41 1k1l s HIS 40 N -2.09 3.50 0.00 -3.49 5.65 -1.26 -4.28 115.29 113.31 1k1l s HIS 40 Ca 0.11 1.56 0.00 0.00 0.25 0.00 0.00 55.06 56.98 1k1l s HIS 40 Cb -0.01 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.18 1k1l s HIS 40 CO -0.03 -0.35 0.01 1.97 -0.65 0.00 0.00 174.74 175.68 1k1l n PHE 41 N 4.77 0.00 -3.64 3.88 1.16 -0.88 -5.01 117.46 117.74 1k1l n PHE 41 Ca 0.08 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.62 1k1l n PHE 41 Cb 0.49 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.34 1k1l n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1k1l n GLY 43 N -0.37 3.06 3.96 0.00 0.00 0.82 -0.43 105.19 112.23 1k1l n GLY 43 Ca -0.07 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1k1l n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1l s GLY 44 N -3.24 0.01 -0.01 -0.02 0.00 -0.58 -3.58 107.32 99.89 1k1l s GLY 44 Ca 0.16 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.72 1k1l s GLY 44 CO 0.10 4.47 -0.06 -0.56 0.00 0.00 0.00 173.10 177.04 1k1l s SER 45 N -3.67 0.82 -0.32 1.64 0.01 0.05 -1.10 113.70 111.13 1k1l s SER 45 Ca 0.27 -0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.15 1k1l s SER 45 Cb -0.02 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.06 1k1l s SER 45 CO 0.02 0.06 0.90 -0.22 0.41 0.00 0.00 173.24 174.41 1k1l s LEU 46 N 0.05 4.03 -0.00 2.44 2.96 -0.26 -0.39 118.68 127.51 1k1l s LEU 46 Ca -0.00 0.79 0.22 0.00 -0.22 0.00 0.00 54.13 54.92 1k1l s LEU 46 Cb -0.05 -3.26 -0.23 0.00 0.50 0.00 0.00 46.19 43.15 1k1l s LEU 46 CO -0.00 -0.73 0.75 2.30 -1.32 0.00 0.00 176.35 177.35 1k1l n ILE 47 N 5.69 0.03 -3.75 6.68 -5.35 -0.31 -0.64 119.36 121.70 1k1l n ILE 47 Ca 0.07 -0.23 -0.03 0.00 -0.27 0.00 0.00 62.75 62.28 1k1l n ILE 47 Cb 0.48 0.49 -0.01 0.00 -1.74 0.00 0.00 39.64 38.86 1k1l n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k1l s ASN 48 N -3.73 -0.18 0.47 7.28 2.20 -1.19 -4.49 114.94 115.31 1k1l s ASN 48 Ca 0.01 -0.39 0.22 0.00 -0.94 0.00 0.00 52.86 51.76 1k1l s ASN 48 Cb 0.15 0.48 1.19 0.00 -2.00 0.00 0.00 41.25 41.06 1k1l s ASN 48 CO 0.88 -0.88 1.62 0.77 -2.94 0.00 0.00 177.10 176.55 1k1l h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.94 -2.82 113.55 118.97 1k1l h SER 49 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1k1l h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1k1l h SER 49 CO 0.26 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.89 1k1l n GLN 50 N -2.44 -0.43 -4.75 4.77 7.27 -1.26 0.34 117.38 120.87 1k1l n GLN 50 Ca -0.01 -0.26 -0.26 0.00 0.07 0.00 0.00 57.00 56.54 1k1l n GLN 50 Cb 0.30 -0.75 -0.16 0.00 2.41 0.00 0.00 30.24 32.04 1k1l n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1k1l s TRP 51 N -0.01 1.63 -0.04 3.69 0.52 -1.07 -0.17 118.94 123.49 1k1l s TRP 51 Ca 0.00 -0.52 0.06 0.00 0.02 0.00 0.00 56.10 55.66 1k1l s TRP 51 Cb 0.00 -1.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 1k1l s TRP 51 CO 0.00 -0.21 -0.22 0.08 0.02 0.00 0.00 176.95 176.62 1k1l s VAL 52 N 0.26 2.35 -0.20 4.03 1.01 0.49 -1.16 120.40 127.16 1k1l s VAL 52 Ca -0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1k1l s VAL 52 Cb -0.13 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1k1l s VAL 52 CO 0.03 0.58 -0.01 0.54 0.00 0.00 0.00 175.10 176.24 1k1l s VAL 53 N -0.48 3.85 0.00 2.92 0.11 0.47 0.19 120.40 127.46 1k1l s VAL 53 Ca 0.06 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1k1l s VAL 53 Cb -0.11 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1k1l s VAL 53 CO 0.01 0.43 0.00 -0.24 -3.33 0.00 0.00 175.10 171.97 1k1l n SER 54 N 4.32 0.49 -4.87 3.54 2.88 0.54 -0.77 113.62 119.75 1k1l n SER 54 Ca -0.17 -0.70 -0.37 0.00 -1.33 0.00 0.00 58.87 56.30 1k1l n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1k1l n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k1l s ALA 55 N -2.00 3.83 0.35 -1.46 0.00 -1.26 -1.29 121.76 119.93 1k1l s ALA 55 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1k1l s ALA 55 Cb 0.00 -2.08 0.68 0.00 0.00 0.00 0.00 23.12 21.72 1k1l s ALA 55 CO 0.00 0.59 1.95 0.00 0.00 0.00 0.00 175.76 178.31 1k1l h ALA 56 N 4.76 1.65 0.00 0.00 0.00 -1.70 -0.13 119.26 123.83 1k1l h ALA 56 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1k1l h ALA 56 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1k1l h ALA 56 CO 0.60 0.24 0.00 -2.39 0.00 0.00 0.00 179.25 177.70 1k1l n HIS 57 N -4.48 0.00 1.10 0.00 1.44 -1.26 -1.23 115.22 110.79 1k1l n HIS 57 Ca 0.11 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1k1l n HIS 57 Cb 0.20 -0.07 0.14 0.00 0.12 0.00 0.00 29.99 30.39 1k1l n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k1l n TYR 59 N 0.00 1.93 -3.51 0.00 9.36 -0.37 -4.97 117.16 119.61 1k1l n TYR 59 Ca 0.11 0.47 -0.12 0.00 3.32 0.00 0.00 57.90 61.68 1k1l n TYR 59 Cb 0.45 -2.43 -0.04 0.00 -0.63 0.00 0.00 39.34 36.69 1k1l n TYR 59 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1k1l s LYS 60 N -0.01 0.92 0.25 2.98 2.20 -1.26 -5.15 119.74 119.67 1k1l s LYS 60 Ca 0.73 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1k1l s LYS 60 Cb -0.73 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 35.97 1k1l s LYS 60 CO 0.47 -0.35 0.47 -1.54 -0.36 0.00 0.00 175.35 174.05 1k1l s SER 61 N -1.83 6.40 -0.19 1.43 1.04 -1.26 -4.50 113.70 114.79 1k1l s SER 61 Ca -0.02 0.54 -0.00 0.00 0.48 0.00 0.00 55.95 56.94 1k1l s SER 61 Cb -0.01 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1k1l s SER 61 CO -0.02 -0.13 0.16 0.61 0.98 0.00 0.00 173.24 174.84 1k1l n GLY 62 N -0.88 0.40 3.68 7.32 0.00 -1.26 -5.03 105.19 109.43 1k1l n GLY 62 Ca -0.03 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1k1l n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1l s ILE 63 N -3.05 5.29 -0.16 -0.61 1.01 -1.26 -4.56 121.20 117.85 1k1l s ILE 63 Ca 0.02 0.46 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 1k1l s ILE 63 Cb -0.01 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1k1l s ILE 63 CO 0.11 0.33 -0.06 -1.58 0.00 0.00 0.00 174.94 173.74 1k1l s GLN 64 N 0.96 3.52 -0.16 2.79 0.74 0.02 -1.57 119.66 125.96 1k1l s GLN 64 Ca 0.14 -0.59 -0.17 0.00 0.05 0.00 0.00 55.36 54.79 1k1l s GLN 64 Cb -0.14 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1k1l s GLN 64 CO 0.05 0.13 0.44 0.08 -0.55 0.00 0.00 175.29 175.44 1k1l s VAL 65 N 0.63 5.19 -0.26 1.34 1.01 0.13 -0.35 120.40 128.09 1k1l s VAL 65 Ca -0.04 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1k1l s VAL 65 Cb -0.15 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1k1l s VAL 65 CO 0.03 0.28 -0.05 -0.13 0.00 0.00 0.00 175.10 175.23 1k1l s ARG 66 N 1.00 2.71 0.33 2.72 0.52 -0.03 -1.14 118.95 125.06 1k1l s ARG 66 Ca 0.23 -1.06 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1k1l s ARG 66 Cb -0.15 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1k1l s ARG 66 CO 0.09 -0.46 0.49 -0.51 0.02 0.00 0.00 175.30 174.93 1k1l s LEU 67 N 1.30 4.01 -1.78 2.53 2.01 -0.38 -2.13 118.68 124.24 1k1l s LEU 67 Ca -0.01 0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.17 1k1l s LEU 67 Cb -0.17 -2.92 0.00 0.00 0.01 0.00 0.00 46.19 43.10 1k1l s LEU 67 CO -0.04 -0.37 0.00 0.61 1.01 0.00 0.00 176.35 177.56 1k1l n GLY 69 N -1.68 -0.35 3.87 -3.19 0.00 -1.26 -2.42 105.19 100.16 1k1l n GLY 69 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1k1l n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1l s GLU 70 N -4.97 3.80 0.00 1.61 0.41 -1.26 -4.10 118.70 114.19 1k1l s GLU 70 Ca 0.00 0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 1k1l s GLU 70 Cb 0.00 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1k1l s GLU 70 CO 0.00 0.49 0.00 -3.47 -0.49 0.00 0.00 175.26 171.79 1k1l n ASP 71 N 0.62 0.00 -4.62 -0.19 2.03 -1.26 -4.61 116.55 108.52 1k1l n ASP 71 Ca -0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 1k1l n ASP 71 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1k1l n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1k1l s ASN 72 N 1.00 6.78 0.00 1.67 3.84 -1.25 -3.08 114.94 123.89 1k1l s ASN 72 Ca 0.00 0.75 0.24 0.00 0.21 0.00 0.00 52.86 54.06 1k1l s ASN 72 Cb 0.00 -2.51 1.07 0.00 -0.55 0.00 0.00 41.25 39.25 1k1l s ASN 72 CO 0.00 -0.95 1.78 2.30 -2.79 0.00 0.00 177.10 177.44 1k1l n ILE 73 N 6.11 0.32 0.68 -5.21 -5.35 -0.17 -3.57 119.36 112.18 1k1l n ILE 73 Ca 0.10 0.08 0.09 0.00 -0.27 0.00 0.00 62.75 62.76 1k1l n ILE 73 Cb 0.48 -0.67 -0.12 0.00 -1.74 0.00 0.00 39.64 37.59 1k1l n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1k1l n ASN 74 N -1.46 0.79 -4.30 7.28 3.02 -1.26 -4.96 115.26 114.37 1k1l n ASN 74 Ca 0.07 -0.71 -0.30 0.00 -0.03 0.00 0.00 54.58 53.60 1k1l n ASN 74 Cb 0.26 1.24 -0.16 0.00 -0.61 0.00 0.00 39.78 40.51 1k1l n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k1l s VAL 75 N -2.98 1.99 -0.48 2.41 1.01 -1.23 -5.09 120.40 116.02 1k1l s VAL 75 Ca 0.04 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.67 1k1l s VAL 75 Cb 0.14 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1k1l s VAL 75 CO 0.81 0.52 0.80 -0.69 0.00 0.00 0.00 175.10 176.54 1k1l s VAL 76 N -0.62 4.62 -0.16 2.92 1.01 -1.26 -4.77 120.40 122.14 1k1l s VAL 76 Ca 0.10 0.28 0.16 0.00 0.00 0.00 0.00 61.98 62.52 1k1l s VAL 76 Cb -0.10 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.68 1k1l s VAL 76 CO -0.00 -0.81 0.42 -0.62 0.00 0.00 0.00 175.10 174.08 1k1l n GLU 77 N 6.81 0.74 0.00 2.72 1.02 -1.26 -5.10 120.64 125.58 1k1l n GLU 77 Ca 0.01 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1k1l n GLU 77 Cb 0.48 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1k1l n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1l n GLY 78 N 1.54 2.97 2.66 0.62 0.00 -1.26 -5.01 105.19 106.71 1k1l n GLY 78 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1k1l n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k1l n ASN 79 N 0.00 0.00 -4.85 1.61 3.02 -1.26 -4.97 115.26 108.81 1k1l n ASN 79 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1k1l n ASN 79 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1k1l n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k1l s GLU 80 N -0.11 3.59 -0.16 3.52 8.01 -1.26 -4.34 118.70 127.95 1k1l s GLU 80 Ca 0.00 0.86 -0.04 0.00 0.01 0.00 0.00 54.97 55.80 1k1l s GLU 80 Cb 0.00 -2.08 0.08 0.00 -4.31 0.00 0.00 34.13 27.82 1k1l s GLU 80 CO 0.00 -0.57 0.23 -0.65 0.01 0.00 0.00 175.26 174.28 1k1l s GLN 81 N -4.79 0.16 -0.33 1.61 -0.21 -1.01 -4.98 119.66 110.11 1k1l s GLN 81 Ca 0.57 0.46 -0.11 0.00 0.02 0.00 0.00 55.36 56.30 1k1l s GLN 81 Cb -0.11 -0.63 -0.01 0.00 1.00 0.00 0.00 33.01 33.26 1k1l s GLN 81 CO 0.47 -0.47 0.20 -0.06 -2.12 0.00 0.00 175.29 173.30 1k1l s PHE 82 N 2.36 3.21 -0.02 0.91 0.08 -1.26 -1.24 117.98 122.01 1k1l s PHE 82 Ca 0.05 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.76 1k1l s PHE 82 Cb -0.14 -2.42 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 1k1l s PHE 82 CO -0.10 -0.40 -0.15 0.42 -0.10 0.00 0.00 175.22 174.89 1k1l s ILE 83 N 1.67 1.21 0.44 0.64 1.01 -0.30 -4.98 121.20 120.90 1k1l s ILE 83 Ca 0.05 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 1k1l s ILE 83 Cb -0.17 -1.03 -0.10 0.00 0.01 0.00 0.00 42.46 41.17 1k1l s ILE 83 CO 0.09 0.35 0.97 -0.44 0.00 0.00 0.00 174.94 175.90 1k1l s SER 84 N -0.15 6.81 -0.09 3.58 0.01 -1.26 0.18 113.70 122.78 1k1l s SER 84 Ca 0.01 1.74 -0.28 0.00 1.31 0.00 0.00 55.95 58.74 1k1l s SER 84 Cb -0.08 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1k1l s SER 84 CO 0.00 -0.45 0.91 0.00 0.41 0.00 0.00 173.24 174.12 1k1l s ALA 85 N -2.14 3.37 0.06 1.44 0.00 -0.61 -0.97 121.76 122.90 1k1l s ALA 85 Ca 0.63 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.94 1k1l s ALA 85 Cb -0.11 -3.29 -0.23 0.00 0.00 0.00 0.00 23.12 19.49 1k1l s ALA 85 CO 0.15 -0.46 1.08 0.66 0.00 0.00 0.00 175.76 177.18 1k1l h SER 86 N 7.04 0.11 -3.96 0.00 4.64 -0.73 -3.45 113.55 117.20 1k1l h SER 86 Ca -0.34 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1k1l h SER 86 Cb 1.17 -0.04 -0.22 0.00 -0.31 0.00 0.00 62.40 63.00 1k1l h SER 86 CO 0.81 1.11 0.25 -1.59 -0.87 0.00 0.00 176.83 176.54 1k1l s LYS 87 N -2.67 0.77 -0.20 4.77 -2.85 -1.21 -5.00 119.74 113.35 1k1l s LYS 87 Ca -0.02 0.73 -0.01 0.00 -1.00 0.00 0.00 55.97 55.67 1k1l s LYS 87 Cb 0.09 0.37 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 1k1l s LYS 87 CO 0.83 -0.13 -0.14 -1.12 0.10 0.00 0.00 175.35 174.89 1k1l s SER 88 N 0.00 3.57 -0.60 0.03 0.01 -1.26 -0.76 113.70 114.70 1k1l s SER 88 Ca -0.01 -0.59 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 1k1l s SER 88 Cb -0.04 -1.57 0.15 0.00 0.21 0.00 0.00 66.02 64.77 1k1l s SER 88 CO 0.01 -0.01 0.46 -0.63 0.41 0.00 0.00 173.24 173.47 1k1l s ILE 89 N 1.35 4.31 0.20 1.44 1.01 0.70 -4.96 121.20 125.25 1k1l s ILE 89 Ca 0.05 -2.33 -0.30 0.00 0.00 0.00 0.00 60.65 58.07 1k1l s ILE 89 Cb -0.14 -3.79 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 1k1l s ILE 89 CO -0.09 -0.86 1.12 -0.69 0.00 0.00 0.00 174.94 174.41 1k1l s VAL 90 N 0.63 3.71 0.10 2.92 1.01 -1.26 -1.79 120.40 125.73 1k1l s VAL 90 Ca 0.12 1.53 -0.33 0.00 0.00 0.00 0.00 61.98 63.29 1k1l s VAL 90 Cb -0.21 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 1k1l s VAL 90 CO -0.03 0.28 1.71 1.57 0.00 0.00 0.00 175.10 178.63 1k1l n HIS 91 N 2.11 2.40 -0.29 5.22 -0.00 -0.81 -4.87 115.22 118.98 1k1l n HIS 91 Ca 0.02 0.10 0.31 0.00 0.46 0.00 0.00 57.72 58.61 1k1l n HIS 91 Cb 0.45 -2.62 0.68 0.00 -0.12 0.00 0.00 29.99 28.39 1k1l n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1k1l h PRO 92 N 7.24 0.10 -0.51 1.57 0.11 -1.92 -1.45 132.00 137.13 1k1l h PRO 92 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1k1l h PRO 92 Cb 1.25 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1k1l h PRO 92 CO 0.92 0.06 0.02 0.43 -0.21 0.00 0.00 178.00 179.22 1k1l n SER 93 N -4.31 5.25 -4.72 -2.05 7.64 -1.26 -4.98 113.62 109.19 1k1l n SER 93 Ca 0.24 -2.99 -0.42 0.00 1.01 0.00 0.00 58.87 56.72 1k1l n SER 93 Cb 1.09 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1k1l n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k1l s TYR 94 N -2.81 3.24 -0.25 1.43 5.04 -0.55 -4.71 117.35 118.75 1k1l s TYR 94 Ca 0.52 1.04 -0.04 0.00 -2.44 0.00 0.00 57.07 56.15 1k1l s TYR 94 Cb 0.40 -3.66 0.00 0.00 0.35 0.00 0.00 41.96 39.06 1k1l s TYR 94 CO 0.14 -2.22 -0.01 1.21 -1.34 0.00 0.00 175.55 173.33 1k1l s ASN 95 N 0.84 4.55 0.59 4.32 3.84 -0.96 -5.00 114.94 123.13 1k1l s ASN 95 Ca 0.62 -0.58 0.37 0.00 0.21 0.00 0.00 52.86 53.48 1k1l s ASN 95 Cb -0.37 -1.76 1.76 0.00 -0.55 0.00 0.00 41.25 40.33 1k1l s ASN 95 CO 0.33 -0.09 2.13 0.77 -2.79 0.00 0.00 177.10 177.45 1k1l h SER 96 N 8.12 0.00 0.10 -4.21 4.64 -1.94 0.21 113.55 120.47 1k1l h SER 96 Ca -0.37 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.72 1k1l h SER 96 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1k1l h SER 96 CO 0.59 0.01 -1.21 0.78 -0.87 0.00 0.00 176.83 176.14 1k1l h ASN 97 N 0.00 0.33 0.65 4.97 4.21 -1.97 -3.37 115.58 120.39 1k1l h ASN 97 Ca -0.00 -0.85 0.00 0.00 1.21 0.00 0.00 56.30 56.66 1k1l h ASN 97 Cb 0.32 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1k1l h ASN 97 CO 0.00 1.53 -0.88 0.35 -1.29 0.00 0.00 177.43 177.14 1k1l n THR 98 N -4.05 0.28 -1.98 2.81 -2.24 -1.21 -4.95 114.28 102.94 1k1l n THR 98 Ca -0.23 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.09 1k1l n THR 98 Cb 0.84 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 1k1l n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k1l n LEU 99 N -2.08 -1.59 -4.78 3.22 4.77 0.74 -4.97 117.00 112.30 1k1l n LEU 99 Ca 0.02 0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.82 1k1l n LEU 99 Cb 0.45 -2.56 -0.05 0.00 -2.33 0.00 0.00 43.42 38.93 1k1l n LEU 99 CO 0.39 -0.51 0.70 0.21 -1.33 0.00 0.00 177.39 176.85 1k1l s ASN 100 N -2.47 6.96 -1.35 -1.43 2.47 -1.21 -3.17 114.94 114.74 1k1l s ASN 100 Ca 0.00 1.95 -0.08 0.00 0.42 0.00 0.00 52.86 55.15 1k1l s ASN 100 Cb 0.00 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 37.23 1k1l s ASN 100 CO 0.00 -0.34 1.06 0.59 -3.72 0.00 0.00 177.10 174.69 1k1l n ASN 101 N 0.09 -6.24 -4.13 -4.21 5.03 -1.26 -2.26 115.26 102.28 1k1l n ASN 101 Ca 0.04 -0.48 -0.41 0.00 0.87 0.00 0.00 54.58 54.59 1k1l n ASN 101 Cb 0.50 -4.89 -0.01 0.00 -1.02 0.00 0.00 39.78 34.36 1k1l n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1k1l n ASP 102 N -2.80 4.10 -3.83 6.41 2.03 -1.19 -4.38 116.55 116.88 1k1l n ASP 102 Ca -0.01 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.33 1k1l n ASP 102 Cb 0.57 -1.65 -0.12 0.00 -0.72 0.00 0.00 41.12 39.19 1k1l n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k1l s ILE 103 N 4.44 0.01 -0.04 5.18 2.07 -1.26 -3.82 121.20 127.78 1k1l s ILE 103 Ca 0.53 -0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.68 1k1l s ILE 103 Cb 0.09 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.47 1k1l s ILE 103 CO 0.02 -0.03 0.11 -0.32 -1.91 0.00 0.00 174.94 172.81 1k1l s MET 104 N -0.03 0.13 -0.17 3.50 -2.45 -0.41 -1.92 119.30 117.96 1k1l s MET 104 Ca -0.01 0.14 -0.04 0.00 -1.25 0.00 0.00 55.69 54.53 1k1l s MET 104 Cb -0.01 0.06 -0.03 0.00 1.25 0.00 0.00 34.83 36.10 1k1l s MET 104 CO 0.00 -0.02 -0.03 -0.51 1.05 0.00 0.00 175.02 175.52 1k1l s LEU 105 N 0.04 3.22 -0.16 4.11 1.02 -0.74 -0.34 118.68 125.84 1k1l s LEU 105 Ca -0.00 -0.17 -0.03 0.00 0.02 0.00 0.00 54.13 53.95 1k1l s LEU 105 Cb -0.01 -1.79 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 1k1l s LEU 105 CO 0.00 0.13 -0.06 -0.63 0.02 0.00 0.00 176.35 175.81 1k1l s ILE 106 N 0.60 3.60 -0.19 -0.59 1.01 0.13 -0.22 121.20 125.54 1k1l s ILE 106 Ca -0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 1k1l s ILE 106 Cb -0.14 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1k1l s ILE 106 CO 0.02 0.49 0.16 -0.75 0.00 0.00 0.00 174.94 174.86 1k1l s LYS 107 N 0.58 4.16 0.28 2.79 2.20 0.06 -0.38 119.74 129.43 1k1l s LYS 107 Ca -0.04 -0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.12 1k1l s LYS 107 Cb -0.15 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1k1l s LYS 107 CO 0.03 0.32 0.94 -0.51 -0.36 0.00 0.00 175.35 175.77 1k1l s LEU 108 N 0.29 4.50 0.46 5.43 1.43 0.76 -0.06 118.68 131.49 1k1l s LEU 108 Ca 0.10 1.90 0.17 0.00 -1.03 0.00 0.00 54.13 55.27 1k1l s LEU 108 Cb -0.11 -3.81 1.09 0.00 0.03 0.00 0.00 46.19 43.38 1k1l s LEU 108 CO -0.01 0.05 2.00 0.50 0.23 0.00 0.00 176.35 179.12 1k1l h LYS 109 N 3.67 0.00 -4.60 1.70 3.64 -1.36 -3.42 116.57 116.20 1k1l h LYS 109 Ca -0.46 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.68 1k1l h LYS 109 Cb 1.20 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.84 1k1l h LYS 109 CO 0.67 0.19 -0.71 -1.12 -2.27 0.00 0.00 179.45 176.20 1k1l s SER 110 N -6.79 1.00 0.48 4.20 0.01 -1.26 -5.00 113.70 106.34 1k1l s SER 110 Ca -0.04 -0.83 -0.20 0.00 1.31 0.00 0.00 55.95 56.20 1k1l s SER 110 Cb 0.15 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 1k1l s SER 110 CO 0.67 -0.37 1.01 0.00 0.41 0.00 0.00 173.24 174.96 1k1l s ALA 111 N -2.77 2.93 0.53 1.44 0.00 -1.26 -4.83 121.76 117.80 1k1l s ALA 111 Ca 0.03 0.49 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 1k1l s ALA 111 Cb -0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1k1l s ALA 111 CO -0.03 -0.21 0.98 0.00 0.00 0.00 0.00 175.76 176.50 1k1l s ALA 112 N -2.14 3.10 -0.90 0.00 0.00 0.15 -4.99 121.76 116.98 1k1l s ALA 112 Ca 0.65 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1k1l s ALA 112 Cb -0.13 -3.07 0.15 0.00 0.00 0.00 0.00 23.12 20.06 1k1l s ALA 112 CO 0.20 -0.33 1.04 0.45 0.00 0.00 0.00 175.76 177.12 1k1l s SER 113 N -3.37 6.65 0.08 0.00 0.15 -1.26 -4.89 113.70 111.06 1k1l s SER 113 Ca 0.57 -2.16 -0.31 0.00 0.70 0.00 0.00 55.95 54.76 1k1l s SER 113 Cb -0.10 -2.36 -0.08 0.00 -1.71 0.00 0.00 66.02 61.77 1k1l s SER 113 CO 0.37 -0.97 1.59 -0.76 1.20 0.00 0.00 173.24 174.68 1k1l s LEU 114 N 2.17 4.36 0.00 3.45 1.43 -1.26 -4.77 118.68 124.06 1k1l s LEU 114 Ca 0.29 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1k1l s LEU 114 Cb -0.06 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1k1l s LEU 114 CO -0.09 -0.84 0.00 -0.46 0.23 0.00 0.00 176.35 175.19 1k1l n ASN 115 N 5.19 0.12 -0.03 2.29 0.23 -0.38 -5.00 115.26 117.68 1k1l n ASN 115 Ca 0.15 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.05 1k1l n ASN 115 Cb 0.41 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.01 1k1l n ASN 115 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1k1l h SER 116 N 0.00 0.40 0.56 0.53 0.87 -2.01 -3.31 113.55 110.58 1k1l h SER 116 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1k1l h SER 116 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1k1l h SER 116 CO 0.00 0.97 -0.26 0.54 -0.53 0.00 0.00 176.83 177.55 1k1l n ARG 117 N -4.43 0.25 -3.70 2.24 1.74 -1.26 -4.61 116.66 106.90 1k1l n ARG 117 Ca -0.08 -0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.60 1k1l n ARG 117 Cb 0.50 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 1k1l n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k1l s VAL 118 N -2.82 0.60 0.08 1.55 1.01 -1.25 -4.38 120.40 115.20 1k1l s VAL 118 Ca 0.17 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1k1l s VAL 118 Cb 0.19 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1k1l s VAL 118 CO 0.59 -0.56 -0.05 0.00 0.00 0.00 0.00 175.10 175.07 1k1l s ALA 119 N 1.77 0.79 0.56 5.51 0.00 -0.84 -1.25 121.76 128.31 1k1l s ALA 119 Ca 0.07 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 1k1l s ALA 119 Cb -0.17 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1k1l s ALA 119 CO -0.23 -0.26 0.85 -1.54 0.00 0.00 0.00 175.76 174.58 1k1l s SER 120 N -2.90 5.62 0.11 0.00 1.04 -1.26 -2.92 113.70 113.39 1k1l s SER 120 Ca 0.09 0.60 0.09 0.00 0.48 0.00 0.00 55.95 57.21 1k1l s SER 120 Cb 0.05 -1.64 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1k1l s SER 120 CO -0.06 -1.00 -0.20 -0.51 0.98 0.00 0.00 173.24 172.45 1k1l s ILE 121 N -2.90 2.69 0.43 -1.02 1.10 0.18 -4.87 121.20 116.82 1k1l s ILE 121 Ca 0.53 -1.54 -0.17 0.00 -0.51 0.00 0.00 60.65 58.96 1k1l s ILE 121 Cb -0.10 -2.22 -0.09 0.00 0.15 0.00 0.00 42.46 40.20 1k1l s ILE 121 CO 0.43 0.12 0.90 -0.44 -2.11 0.00 0.00 174.94 173.85 1k1l s SER 122 N -2.05 6.77 0.36 4.50 0.01 -1.26 -4.53 113.70 117.50 1k1l s SER 122 Ca 0.17 1.52 -0.11 0.00 1.31 0.00 0.00 55.95 58.84 1k1l s SER 122 Cb -0.10 -2.48 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 1k1l s SER 122 CO 0.09 -0.40 0.72 -0.76 0.41 0.00 0.00 173.24 173.29 1k1l s LEU 123 N -3.47 3.94 0.40 2.44 1.43 -1.26 -0.59 118.68 121.56 1k1l s LEU 123 Ca 0.59 1.10 -0.24 0.00 -1.03 0.00 0.00 54.13 54.55 1k1l s LEU 123 Cb -0.10 -3.94 -0.09 0.00 0.03 0.00 0.00 46.19 42.09 1k1l s LEU 123 CO 0.21 -0.30 1.03 -2.16 0.23 0.00 0.00 176.35 175.36 1k1l s PRO 124 N -3.53 4.19 0.00 1.29 0.04 -1.26 -4.78 135.00 130.96 1k1l s PRO 124 Ca 0.51 1.47 0.20 0.00 0.04 0.00 0.00 61.00 63.21 1k1l s PRO 124 Cb -0.10 -2.52 0.30 0.00 0.04 0.00 0.00 34.50 32.22 1k1l s PRO 124 CO 0.27 -0.11 1.26 0.25 0.04 0.00 0.00 177.00 178.70 1k1l n THR 125 N -0.09 0.37 -3.55 1.26 -2.24 -1.26 -4.92 114.28 103.85 1k1l n THR 125 Ca 0.05 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1k1l n THR 125 Cb 0.50 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 1k1l n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k1l s SER 127 N -1.43 -0.36 0.42 3.42 1.04 -1.26 -5.16 113.70 110.36 1k1l s SER 127 Ca 0.30 0.24 -0.23 0.00 0.48 0.00 0.00 55.95 56.75 1k1l s SER 127 Cb 0.19 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.54 1k1l s SER 127 CO 0.26 -0.45 1.01 0.00 0.98 0.00 0.00 173.24 175.04 1k1l s ALA 129 N -1.87 3.27 0.39 0.00 0.00 -1.26 -5.07 121.76 117.23 1k1l s ALA 129 Ca 0.60 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1k1l s ALA 129 Cb -0.17 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1k1l s ALA 129 CO 0.21 0.24 0.63 -1.54 0.00 0.00 0.00 175.76 175.30 1k1l s SER 130 N -1.80 6.28 0.31 0.00 1.04 -1.26 -5.02 113.70 113.25 1k1l s SER 130 Ca 0.50 0.60 -0.29 0.00 0.48 0.00 0.00 55.95 57.24 1k1l s SER 130 Cb -0.15 -2.10 -0.13 0.00 0.10 0.00 0.00 66.02 63.75 1k1l s SER 130 CO 0.20 -0.39 1.35 0.00 0.98 0.00 0.00 173.24 175.38 1k1l n ALA 132 N -1.94 1.36 0.00 5.32 0.00 -1.26 -2.29 120.51 121.69 1k1l n ALA 132 Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1k1l n ALA 132 Cb 0.56 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1k1l n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1l n GLY 133 N 1.24 2.42 3.70 0.00 0.00 0.14 -4.96 105.19 107.74 1k1l n GLY 133 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1k1l n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k1l n THR 134 N -0.16 0.43 -3.08 2.61 -1.04 -0.97 -4.57 114.28 107.50 1k1l n THR 134 Ca 0.00 -0.11 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 1k1l n THR 134 Cb 0.00 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 66.68 1k1l n THR 134 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1k1l s GLN 135 N 0.40 4.42 0.21 -2.82 2.00 -1.26 -1.34 119.66 121.26 1k1l s GLN 135 Ca 0.72 0.82 0.09 0.00 -2.00 0.00 0.00 55.36 54.99 1k1l s GLN 135 Cb -0.57 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 29.74 1k1l s GLN 135 CO 0.41 0.06 -0.16 0.00 -0.50 0.00 0.00 175.29 175.09 1k1l s LEU 137 N -3.16 3.29 -0.09 0.00 2.96 0.65 -1.15 118.68 121.18 1k1l s LEU 137 Ca 0.22 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1k1l s LEU 137 Cb -0.03 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1k1l s LEU 137 CO 0.08 -0.04 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.38 1k1l s ILE 138 N 1.56 3.80 0.06 6.68 1.01 0.71 -1.61 121.20 133.41 1k1l s ILE 138 Ca 0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1k1l s ILE 138 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 1k1l s ILE 138 CO 0.01 0.57 -0.02 -0.94 0.00 0.00 0.00 174.94 174.56 1k1l s SER 139 N -0.49 0.52 0.00 3.58 1.04 -1.24 -0.62 113.70 116.51 1k1l s SER 139 Ca 0.07 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1k1l s SER 139 Cb -0.12 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1k1l s SER 139 CO 0.02 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1k1l n GLY 140 N 0.08 0.03 1.13 7.32 0.00 -0.92 -4.39 105.19 108.44 1k1l n GLY 140 Ca -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 1k1l n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k1l n TRP 141 N -0.68 1.01 -2.11 1.61 8.01 -1.26 -2.47 117.44 121.55 1k1l n TRP 141 Ca 0.00 -1.61 -0.26 0.00 -1.31 0.00 0.00 57.50 54.32 1k1l n TRP 141 Cb 0.00 -0.48 0.17 0.00 -2.01 0.00 0.00 31.31 28.99 1k1l n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1k1l n GLY 142 N -1.13 -0.76 3.52 6.99 0.00 -1.25 -4.48 105.19 108.09 1k1l n GLY 142 Ca 0.32 -1.82 -0.47 0.00 0.00 0.00 0.00 46.02 44.05 1k1l n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k1l n ASN 143 N -3.50 0.41 -0.27 1.61 5.15 0.58 -2.27 115.26 116.97 1k1l n ASN 143 Ca 0.16 1.15 0.07 0.00 -0.60 0.00 0.00 54.58 55.36 1k1l n ASN 143 Cb 0.55 -1.14 -0.02 0.00 -0.53 0.00 0.00 39.78 38.64 1k1l n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1k1l n THR 144 N 0.49 0.00 -4.59 -0.44 -2.24 0.30 -0.49 114.28 107.31 1k1l n THR 144 Ca 0.14 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 1k1l n THR 144 Cb 0.27 1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.53 1k1l n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k1l s LYS 145 N -1.90 2.64 -0.04 -0.78 1.02 -1.26 -4.32 119.74 115.11 1k1l s LYS 145 Ca 0.11 -0.63 -0.23 0.00 0.02 0.00 0.00 55.97 55.23 1k1l s LYS 145 Cb 0.12 -2.53 -0.23 0.00 -0.52 0.00 0.00 37.83 34.66 1k1l s LYS 145 CO 0.41 0.64 1.05 0.77 -0.92 0.00 0.00 175.35 177.30 1k1l h SER 146 N 4.98 0.30 -3.38 2.83 0.02 -1.95 -3.39 113.55 112.97 1k1l h SER 146 Ca -0.48 -0.77 -0.68 0.00 -0.84 0.00 0.00 61.79 59.02 1k1l h SER 146 Cb 1.17 -0.09 -0.37 0.00 0.14 0.00 0.00 62.40 63.24 1k1l h SER 146 CO 0.52 1.03 -0.25 -0.44 -1.14 0.00 0.00 176.83 176.55 1k1l s SER 147 N -6.42 5.59 0.00 3.07 0.01 -1.26 -4.70 113.70 109.98 1k1l s SER 147 Ca -0.15 -3.66 0.00 0.00 1.31 0.00 0.00 55.95 53.44 1k1l s SER 147 Cb 0.02 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1k1l s SER 147 CO 0.76 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.85 1k1l n GLY 148 N 2.36 0.92 2.84 3.44 0.00 -1.26 -5.08 105.19 108.40 1k1l n GLY 148 Ca 0.19 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 1k1l n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1l s THR 149 N -2.15 0.72 -0.17 2.61 2.01 -1.26 -4.62 115.64 112.77 1k1l s THR 149 Ca 0.00 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1k1l s THR 149 Cb 0.00 -0.84 0.08 0.00 0.01 0.00 0.00 72.50 71.75 1k1l s THR 149 CO 0.00 0.27 0.33 -0.55 -0.69 0.00 0.00 174.62 173.98 1k1l s SER 150 N 1.83 0.16 -0.13 3.53 0.15 -1.26 -4.99 113.70 113.00 1k1l s SER 150 Ca 0.04 0.68 -0.02 0.00 0.70 0.00 0.00 55.95 57.35 1k1l s SER 150 Cb -0.13 0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 65.12 1k1l s SER 150 CO -0.07 -0.25 -0.06 -0.31 1.20 0.00 0.00 173.24 173.76 1k1l s TYR 151 N 2.50 2.98 0.67 3.44 2.02 -1.26 -0.53 117.35 127.16 1k1l s TYR 151 Ca 0.01 -0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.37 1k1l s TYR 151 Cb -0.12 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1k1l s TYR 151 CO -0.11 0.06 1.05 -1.25 -1.57 0.00 0.00 175.55 173.73 1k1l s PRO 152 N 0.01 3.21 -0.15 -1.71 0.04 -1.26 -5.01 135.00 130.12 1k1l s PRO 152 Ca -0.00 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 61.74 1k1l s PRO 152 Cb -0.13 -2.03 -0.24 0.00 0.04 0.00 0.00 34.50 32.13 1k1l s PRO 152 CO 0.03 -0.87 0.34 -0.44 0.04 0.00 0.00 177.00 176.09 1k1l h ASP 153 N -0.55 0.28 -1.99 6.66 3.32 -1.95 -3.47 116.42 118.73 1k1l h ASP 153 Ca -0.44 -0.80 -0.47 0.00 0.02 0.00 0.00 57.03 55.34 1k1l h ASP 153 Cb 1.21 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 1k1l h ASP 153 CO 0.60 1.73 -0.42 0.68 -1.72 0.00 0.00 179.24 180.11 1k1l s VAL 154 N -2.49 4.41 0.14 -1.35 -7.23 -1.26 -1.00 120.40 111.62 1k1l s VAL 154 Ca -0.24 -1.12 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 1k1l s VAL 154 Cb 0.06 -3.51 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 1k1l s VAL 154 CO 0.71 -0.24 1.53 -0.22 -0.31 0.00 0.00 175.10 176.56 1k1l s LEU 155 N -4.03 4.37 0.03 1.32 2.96 -1.18 -4.88 118.68 117.28 1k1l s LEU 155 Ca 0.39 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.81 1k1l s LEU 155 Cb -0.08 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1k1l s LEU 155 CO 0.29 -0.78 0.12 -0.54 -1.32 0.00 0.00 176.35 174.11 1k1l s LYS 156 N 1.34 3.13 0.17 1.98 -0.14 -1.03 -1.23 119.74 123.95 1k1l s LYS 156 Ca 0.69 -0.52 0.09 0.00 -1.36 0.00 0.00 55.97 54.87 1k1l s LYS 156 Cb -0.41 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 1k1l s LYS 156 CO 0.31 0.62 -0.19 0.00 -0.76 0.00 0.00 175.35 175.33 1k1l s LEU 158 N -2.67 -0.35 -0.18 0.00 2.96 0.21 -0.39 118.68 118.25 1k1l s LEU 158 Ca 0.16 1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 54.98 1k1l s LEU 158 Cb -0.06 1.57 -0.05 0.00 0.50 0.00 0.00 46.19 48.15 1k1l s LEU 158 CO 0.07 -0.21 0.27 -0.54 -1.32 0.00 0.00 176.35 174.62 1k1l s LYS 159 N 1.64 4.21 -0.08 1.98 1.02 -1.26 -0.20 119.74 127.05 1k1l s LYS 159 Ca -0.09 0.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 1k1l s LYS 159 Cb -0.08 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1k1l s LYS 159 CO -0.14 0.18 0.28 0.00 -0.92 0.00 0.00 175.35 174.75 1k1l s ALA 160 N 0.67 -0.70 0.32 5.17 0.00 -0.30 -4.96 121.76 121.95 1k1l s ALA 160 Ca 0.14 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 1k1l s ALA 160 Cb -0.13 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 1k1l s ALA 160 CO 0.04 -0.17 0.75 -1.25 0.00 0.00 0.00 175.76 175.13 1k1l s PRO 161 N -0.26 4.05 -0.07 0.00 0.04 -1.26 -1.22 135.00 136.28 1k1l s PRO 161 Ca -0.04 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 1k1l s PRO 161 Cb -0.03 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1k1l s PRO 161 CO 0.01 0.17 1.20 0.42 0.04 0.00 0.00 177.00 178.84 1k1l s ILE 162 N -1.95 4.28 0.86 0.56 1.01 -0.45 -2.21 121.20 123.31 1k1l s ILE 162 Ca 0.54 1.60 -0.13 0.00 0.00 0.00 0.00 60.65 62.65 1k1l s ILE 162 Cb -0.11 -4.03 0.13 0.00 0.01 0.00 0.00 42.46 38.47 1k1l s ILE 162 CO 0.17 -0.02 1.22 -0.76 0.00 0.00 0.00 174.94 175.56 1k1l s LEU 163 N 2.36 2.62 0.49 2.97 1.43 -0.10 0.27 118.68 128.72 1k1l s LEU 163 Ca 0.55 0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.02 1k1l s LEU 163 Cb -0.24 -2.83 -0.07 0.00 0.03 0.00 0.00 46.19 43.08 1k1l s LEU 163 CO 0.21 -2.23 0.94 -0.94 0.23 0.00 0.00 176.35 174.55 1k1l s SER 164 N -4.71 6.59 0.29 2.29 1.04 -1.26 -4.54 113.70 113.39 1k1l s SER 164 Ca 0.67 1.46 -0.00 0.00 0.48 0.00 0.00 55.95 58.56 1k1l s SER 164 Cb -0.08 -2.46 0.42 0.00 0.10 0.00 0.00 66.02 64.00 1k1l s SER 164 CO 0.50 -0.55 1.81 0.44 0.98 0.00 0.00 173.24 176.42 1k1l h ASP 165 N 0.95 0.70 -0.18 7.02 3.45 -1.97 0.76 116.42 127.16 1k1l h ASP 165 Ca -0.47 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 56.84 1k1l h ASP 165 Cb 1.19 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 1k1l h ASP 165 CO 0.62 0.74 0.09 0.77 -1.57 0.00 0.00 179.24 179.89 1k1l h SER 166 N 0.71 0.23 -0.22 6.45 4.64 -1.98 0.14 113.55 123.52 1k1l h SER 166 Ca 0.15 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1k1l h SER 166 Cb 0.36 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1k1l h SER 166 CO 0.01 0.28 0.13 0.28 -0.87 0.00 0.00 176.83 176.66 1k1l h SER 167 N 0.17 0.27 -0.33 4.97 0.02 -1.88 0.14 113.55 116.91 1k1l h SER 167 Ca 0.06 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1k1l h SER 167 Cb 0.10 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1k1l h SER 167 CO -0.01 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 1k1l h LYS 169 N 0.10 0.00 0.00 0.00 1.57 -0.39 -1.95 116.57 115.89 1k1l h LYS 169 Ca 0.16 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1k1l h LYS 169 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1k1l h LYS 169 CO -0.26 0.35 -0.39 0.77 -0.57 0.00 0.00 179.45 179.34 1k1l h SER 170 N 0.00 0.00 0.32 0.86 0.02 0.34 -2.71 113.55 112.38 1k1l h SER 170 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1k1l h SER 170 Cb 0.75 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.31 1k1l h SER 170 CO 0.04 0.39 -1.55 0.00 -1.14 0.00 0.00 176.83 174.58 1k1l h ALA 171 N 1.61 0.04 -2.42 3.77 0.00 -0.74 -3.40 119.26 118.11 1k1l h ALA 171 Ca -0.00 -0.99 -0.60 0.00 0.00 0.00 0.00 54.91 53.32 1k1l h ALA 171 Cb 0.88 0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 1k1l h ALA 171 CO 0.05 0.90 -0.71 0.66 0.00 0.00 0.00 179.25 180.15 1k1l n TYR 172 N -3.61 2.40 -1.67 0.00 4.01 -0.78 -4.97 117.16 112.53 1k1l n TYR 172 Ca -0.18 -4.01 -0.47 0.00 -0.16 0.00 0.00 57.90 53.08 1k1l n TYR 172 Cb 1.08 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 39.61 1k1l n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1k1l n PRO 173 N 1.45 2.18 -1.47 -0.72 -0.02 -1.03 -2.06 135.00 133.34 1k1l n PRO 173 Ca 0.26 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 62.37 1k1l n PRO 173 Cb 0.42 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.24 1k1l n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k1l n GLY 174 N 3.77 1.59 0.00 -1.23 0.00 -1.26 -4.81 105.19 103.25 1k1l n GLY 174 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1k1l n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1l n GLN 175 N -2.18 4.43 -3.70 1.61 6.02 -0.88 -5.00 117.38 117.69 1k1l n GLN 175 Ca -0.16 -0.14 -0.37 0.00 -0.01 0.00 0.00 57.00 56.33 1k1l n GLN 175 Cb 0.57 -0.62 -0.10 0.00 1.02 0.00 0.00 30.24 31.11 1k1l n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1l s ILE 176 N -0.67 5.18 0.51 5.09 -1.09 -1.24 -5.05 121.20 123.92 1k1l s ILE 176 Ca 0.00 0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.62 1k1l s ILE 176 Cb 0.00 -3.42 0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1k1l s ILE 176 CO 0.00 0.34 0.67 0.42 -1.23 0.00 0.00 174.94 175.14 1k1l s THR 177 N 1.17 2.46 -1.74 2.92 -4.23 -1.26 -4.98 115.64 109.98 1k1l s THR 177 Ca 0.07 -1.05 0.17 0.00 -1.18 0.00 0.00 61.69 59.71 1k1l s THR 177 Cb -0.14 -2.51 0.41 0.00 1.34 0.00 0.00 72.50 71.60 1k1l s THR 177 CO 0.05 0.00 1.48 -1.54 -0.54 0.00 0.00 174.62 174.07 1k1l n SER 178 N -2.03 0.00 -1.50 3.99 3.41 -1.26 -2.21 113.62 114.02 1k1l n SER 178 Ca 0.11 -0.28 0.02 0.00 -0.26 0.00 0.00 58.87 58.46 1k1l n SER 178 Cb 0.61 -0.13 0.30 0.00 -0.26 0.00 0.00 64.21 64.73 1k1l n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k1l n ASN 179 N -1.13 4.45 -4.06 4.04 3.02 -1.26 -4.92 115.26 115.40 1k1l n ASN 179 Ca 0.11 -3.15 -0.11 0.00 -0.03 0.00 0.00 54.58 51.40 1k1l n ASN 179 Cb 0.09 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.50 1k1l n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1k1l s MET 180 N -2.92 0.54 -0.01 3.52 -1.94 -0.94 -1.19 119.30 116.36 1k1l s MET 180 Ca 0.50 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 53.48 1k1l s MET 180 Cb 0.40 -0.13 0.02 0.00 2.01 0.00 0.00 34.83 37.13 1k1l s MET 180 CO 0.11 -0.00 0.26 -0.59 -0.01 0.00 0.00 175.02 174.79 1k1l s PHE 181 N -2.04 -0.12 0.11 -0.03 -0.12 -0.38 -4.80 117.98 110.59 1k1l s PHE 181 Ca -0.06 0.17 -0.08 0.00 -0.05 0.00 0.00 56.93 56.91 1k1l s PHE 181 Cb -0.06 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.33 1k1l s PHE 181 CO -0.02 -0.35 0.39 0.00 -0.05 0.00 0.00 175.22 175.19 1k1l s ALA 183 N -1.51 -0.91 0.00 0.00 0.00 -0.53 -0.92 121.76 117.89 1k1l s ALA 183 Ca 0.36 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1k1l s ALA 183 Cb -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1k1l s ALA 183 CO 0.20 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1k1l n GLY 184 N 3.03 0.92 3.05 0.00 0.00 -0.94 -2.45 105.19 108.81 1k1l n GLY 184 Ca -0.14 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 1k1l n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k1l s TYR 184 N -2.96 2.33 0.55 1.61 1.51 -1.26 -4.49 117.35 114.64 1k1l s TYR 184 Ca 0.00 -1.33 0.22 0.00 -1.01 0.00 0.00 57.07 54.95 1k1l s TYR 184 Cb 0.00 -1.68 1.47 0.00 -0.11 0.00 0.00 41.96 41.64 1k1l s TYR 184 CO 0.00 -0.71 2.14 -0.07 -1.11 0.00 0.00 175.55 175.80 1k1l h LEU 185 N 8.02 0.00 -0.52 -1.29 3.38 -1.94 0.37 115.31 123.33 1k1l h LEU 185 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1k1l h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1k1l h LEU 185 CO 0.56 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 177.25 1k1l n GLU 186 N -4.25 0.18 0.00 1.13 0.00 -1.26 0.23 120.64 116.67 1k1l n GLU 186 Ca -0.00 0.37 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1k1l n GLU 186 Cb 0.22 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 29.84 1k1l n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k1l n GLY 187 N 0.21 -2.48 2.26 -1.84 0.00 0.12 -4.59 105.19 98.88 1k1l n GLY 187 Ca 0.03 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1k1l n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1l n GLY 188 N -0.68 2.96 2.73 -0.02 0.00 -0.33 -4.92 105.19 104.93 1k1l n GLY 188 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1k1l n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1l s LYS 188 N -0.41 0.35 -0.12 1.61 1.02 -1.26 -3.43 119.74 117.49 1k1l s LYS 188 Ca 0.00 0.21 -0.33 0.00 0.02 0.00 0.00 55.97 55.86 1k1l s LYS 188 Cb 0.00 -0.79 0.14 0.00 -0.52 0.00 0.00 37.83 36.66 1k1l s LYS 188 CO 0.00 -0.31 1.29 0.34 -0.92 0.00 0.00 175.35 175.75 1k1l s ASP 189 N 2.03 -0.08 0.75 2.83 2.15 -0.11 -4.09 116.67 120.15 1k1l s ASP 189 Ca 0.05 -0.06 -0.11 0.00 0.43 0.00 0.00 52.55 52.86 1k1l s ASP 189 Cb -0.12 0.12 0.05 0.00 -0.30 0.00 0.00 42.92 42.67 1k1l s ASP 189 CO -0.04 -0.21 1.12 -0.94 -0.17 0.00 0.00 175.17 174.92 1k1l s SER 190 N -2.56 4.87 0.27 -0.34 1.04 -1.26 -0.13 113.70 115.60 1k1l s SER 190 Ca 0.12 0.83 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 1k1l s SER 190 Cb 0.02 -1.46 0.03 0.00 0.10 0.00 0.00 66.02 64.71 1k1l s SER 190 CO -0.04 -1.66 0.47 0.00 0.98 0.00 0.00 173.24 172.99 1k1l n GLN 192 N -0.41 1.61 0.00 0.00 6.02 -1.26 -1.50 117.38 121.84 1k1l n GLN 192 Ca -0.03 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1k1l n GLN 192 Cb 0.43 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.68 1k1l n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k1l n GLY 193 N 1.07 3.35 0.14 1.08 0.00 -1.26 -0.30 105.19 109.26 1k1l n GLY 193 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1k1l n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k1l h ASP 194 N 0.00 0.00 -1.44 1.61 3.32 -1.58 -3.32 116.42 115.00 1k1l h ASP 194 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1k1l h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1k1l h ASP 194 CO 0.00 0.02 -0.22 -1.20 -1.72 0.00 0.00 179.24 176.12 1k1l n SER 195 N -2.79 -0.22 0.00 6.45 7.64 -1.26 -0.43 113.62 123.02 1k1l n SER 195 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1k1l n SER 195 Cb 0.55 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1k1l n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1l n GLY 196 N 1.77 2.85 3.49 0.23 0.00 -0.36 -0.12 105.19 113.04 1k1l n GLY 196 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1k1l n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1l n GLY 197 N -0.38 -1.54 3.84 -0.02 0.00 0.43 -3.70 105.19 103.82 1k1l n GLY 197 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1k1l n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k1l s PRO 198 N -3.98 3.15 -0.32 1.61 0.04 -1.26 -1.32 135.00 132.92 1k1l s PRO 198 Ca 0.61 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 1k1l s PRO 198 Cb -0.21 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.42 1k1l s PRO 198 CO 0.64 -0.91 0.16 0.08 0.04 0.00 0.00 177.00 177.01 1k1l s VAL 199 N -3.13 0.16 -0.25 -0.36 1.01 -0.74 -3.62 120.40 113.47 1k1l s VAL 199 Ca 0.57 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1k1l s VAL 199 Cb -0.13 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1k1l s VAL 199 CO 0.54 -0.83 0.19 -0.69 0.00 0.00 0.00 175.10 174.31 1k1l s VAL 200 N 1.61 5.33 -0.14 2.92 1.01 -0.64 -0.58 120.40 129.92 1k1l s VAL 200 Ca 0.13 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1k1l s VAL 200 Cb -0.19 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1k1l s VAL 200 CO -0.21 0.31 -0.14 0.00 0.00 0.00 0.00 175.10 175.06 1k1l n SER 202 N 4.69 -4.12 -0.12 0.00 7.64 -1.26 -1.29 113.62 119.16 1k1l n SER 202 Ca -0.17 -0.73 -0.02 0.00 1.01 0.00 0.00 58.87 58.96 1k1l n SER 202 Cb 0.50 -4.25 -0.01 0.00 -1.01 0.00 0.00 64.21 59.45 1k1l n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1l n GLY 203 N -1.70 0.37 3.22 0.23 0.00 -1.26 -4.98 105.19 101.07 1k1l n GLY 203 Ca -0.07 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1k1l n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1l s LYS 204 N -1.36 2.56 -0.54 1.61 -0.14 -0.41 -4.05 119.74 117.41 1k1l s LYS 204 Ca 0.00 -0.83 -0.27 0.00 -1.36 0.00 0.00 55.97 53.51 1k1l s LYS 204 Cb 0.00 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 1k1l s LYS 204 CO 0.00 0.28 1.85 -1.17 -0.76 0.00 0.00 175.35 175.55 1k1l s LEU 209 N 0.07 3.35 -0.01 3.17 2.96 0.24 -1.05 118.68 127.41 1k1l s LEU 209 Ca -0.09 0.57 0.16 0.00 -0.22 0.00 0.00 54.13 54.55 1k1l s LEU 209 Cb -0.15 -2.76 -0.19 0.00 0.50 0.00 0.00 46.19 43.59 1k1l s LEU 209 CO 0.05 -2.22 0.67 0.00 -1.32 0.00 0.00 176.35 173.52 1k1l n GLN 210 N 8.99 0.63 -4.02 1.98 1.13 0.26 -4.04 117.38 122.31 1k1l n GLN 210 Ca 0.21 0.20 -0.11 0.00 -1.94 0.00 0.00 57.00 55.36 1k1l n GLN 210 Cb 0.51 -1.75 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 1k1l n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1k1l s GLY 211 N -4.96 0.87 -0.04 1.08 0.00 -0.85 -2.29 107.32 101.13 1k1l s GLY 211 Ca -0.05 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.60 1k1l s GLY 211 CO 0.82 -0.75 -0.12 -0.42 0.00 0.00 0.00 173.10 172.62 1k1l s ILE 212 N -3.58 1.08 -0.00 0.90 1.01 -1.08 -1.79 121.20 117.73 1k1l s ILE 212 Ca 0.25 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1k1l s ILE 212 Cb -0.01 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.44 1k1l s ILE 212 CO 0.13 0.33 1.81 -0.69 0.00 0.00 0.00 174.94 176.52 1k1l s VAL 213 N 0.25 3.28 0.00 2.92 1.01 -0.43 -1.27 120.40 126.15 1k1l s VAL 213 Ca -0.06 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1k1l s VAL 213 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1k1l s VAL 213 CO 0.02 -0.03 0.00 -0.24 0.00 0.00 0.00 175.10 174.85 1k1l n SER 214 N 7.29 0.00 -1.08 3.32 2.88 -1.16 -1.22 113.62 123.65 1k1l n SER 214 Ca 0.19 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 1k1l n SER 214 Cb 0.42 -0.09 -0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1k1l n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1k1l n TRP 215 N -2.10 -0.58 0.00 0.66 4.27 -0.79 -4.91 117.44 113.98 1k1l n TRP 215 Ca 0.00 -0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 1k1l n TRP 215 Cb 0.00 0.03 0.00 0.00 -1.36 0.00 0.00 31.31 29.98 1k1l n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1k1l n GLY 216 N -0.02 2.22 3.51 -1.67 0.00 -1.26 -0.88 105.19 107.09 1k1l n GLY 216 Ca -0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1k1l n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k1l s SER 217 N 0.00 6.18 0.38 1.61 0.15 -1.26 -4.85 113.70 115.91 1k1l s SER 217 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1k1l s SER 217 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1k1l s SER 217 CO 0.00 -1.67 0.00 0.61 1.20 0.00 0.00 173.24 173.38 1k1l n GLY 219 N 5.34 0.40 2.88 9.45 0.00 -1.26 -4.60 105.19 117.40 1k1l n GLY 219 Ca 0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1k1l n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1l n ALA 221 N 4.62 -0.58 -1.77 0.00 0.00 -1.26 -4.64 120.51 116.88 1k1l n ALA 221 Ca -0.18 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1k1l n ALA 221 Cb 0.51 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1k1l n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k1l s GLN 221 N -4.66 3.53 0.14 0.00 -1.52 -1.26 -1.18 119.66 114.70 1k1l s GLN 221 Ca 0.00 0.92 -0.31 0.00 -1.95 0.00 0.00 55.36 54.02 1k1l s GLN 221 Cb 0.00 -2.07 -0.09 0.00 -0.22 0.00 0.00 33.01 30.63 1k1l s GLN 221 CO 0.00 -0.62 1.54 0.21 -0.25 0.00 0.00 175.29 176.17 1k1l s LYS 222 N -4.66 4.23 -1.98 2.91 2.47 -1.26 -2.70 119.74 118.75 1k1l s LYS 222 Ca 0.58 2.29 0.00 0.00 -1.56 0.00 0.00 55.97 57.28 1k1l s LYS 222 Cb -0.12 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 33.01 1k1l s LYS 222 CO 0.45 -0.59 0.00 0.09 0.16 0.00 0.00 175.35 175.46 1k1l n ASN 223 N 4.21 -5.62 -3.29 1.43 3.02 0.14 -4.91 115.26 110.23 1k1l n ASN 223 Ca 0.14 0.26 -0.25 0.00 -0.03 0.00 0.00 54.58 54.69 1k1l n ASN 223 Cb 0.40 -4.83 -0.08 0.00 -0.61 0.00 0.00 39.78 34.66 1k1l n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1l n LYS 224 N -2.67 0.81 -1.27 3.52 4.76 -1.10 -4.79 118.16 117.42 1k1l n LYS 224 Ca -0.22 -3.41 -0.29 0.00 -2.87 0.00 0.00 58.31 51.52 1k1l n LYS 224 Cb 0.68 -1.48 0.16 0.00 -1.84 0.00 0.00 35.03 32.55 1k1l n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1k1l s PRO 225 N -1.02 0.76 0.32 1.97 0.04 -1.26 -4.24 135.00 131.58 1k1l s PRO 225 Ca 0.35 0.51 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 1k1l s PRO 225 Cb 0.13 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.79 1k1l s PRO 225 CO -0.12 -2.51 0.97 0.20 0.04 0.00 0.00 177.00 175.58 1k1l s GLY 226 N -3.60 2.84 -0.14 0.56 0.00 -1.03 -4.60 107.32 101.36 1k1l s GLY 226 Ca 0.65 0.58 -0.04 0.00 0.00 0.00 0.00 44.72 45.90 1k1l s GLY 226 CO 0.56 1.04 -0.00 0.14 0.00 0.00 0.00 173.10 174.85 1k1l s VAL 227 N -1.55 4.23 0.17 1.40 1.01 -0.06 -1.45 120.40 124.15 1k1l s VAL 227 Ca 0.50 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.32 1k1l s VAL 227 Cb -0.21 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1k1l s VAL 227 CO 0.26 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.38 1k1l s TYR 228 N 0.02 1.83 -0.14 5.22 1.51 0.52 -1.89 117.35 124.42 1k1l s TYR 228 Ca 0.02 -0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 55.32 1k1l s TYR 228 Cb -0.13 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 1k1l s TYR 228 CO 0.02 0.33 1.20 0.99 -1.11 0.00 0.00 175.55 176.99 1k1l s THR 229 N -2.04 4.36 -0.86 -0.71 2.01 -0.40 -1.25 115.64 116.75 1k1l s THR 229 Ca 0.16 1.65 -0.25 0.00 0.31 0.00 0.00 61.69 63.56 1k1l s THR 229 Cb -0.06 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1k1l s THR 229 CO 0.07 -0.10 1.86 -0.75 -0.69 0.00 0.00 174.62 175.01 1k1l s LYS 230 N 3.05 2.69 0.47 4.92 2.20 -0.33 -2.65 119.74 130.09 1k1l s LYS 230 Ca 0.53 -0.21 0.13 0.00 -0.36 0.00 0.00 55.97 56.07 1k1l s LYS 230 Cb -0.21 -4.95 1.09 0.00 -1.51 0.00 0.00 37.83 32.25 1k1l s LYS 230 CO 0.15 -3.11 2.07 0.28 -0.36 0.00 0.00 175.35 174.38 1k1l h VAL 231 N 7.11 0.99 -0.02 4.02 2.07 -1.77 -2.46 116.25 126.20 1k1l h VAL 231 Ca 0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1k1l h VAL 231 Cb 1.04 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1k1l h VAL 231 CO 1.24 0.05 0.10 0.00 0.02 0.00 0.00 177.57 178.98 1k1l n ASN 233 N -3.14 0.23 -0.14 0.00 3.02 -0.92 -3.93 115.26 110.38 1k1l n ASN 233 Ca -0.02 -0.12 0.02 0.00 -0.03 0.00 0.00 54.58 54.42 1k1l n ASN 233 Cb 0.17 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 1k1l n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1k1l n TYR 234 N -1.26 0.03 -0.23 3.10 4.01 0.88 -4.78 117.16 118.92 1k1l n TYR 234 Ca 0.11 -0.14 0.02 0.00 -0.16 0.00 0.00 57.90 57.74 1k1l n TYR 234 Cb 0.29 -0.01 0.14 0.00 -0.31 0.00 0.00 39.34 39.46 1k1l n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1k1l h VAL 235 N 0.58 0.71 0.03 -0.72 2.07 -1.65 0.73 116.25 118.01 1k1l h VAL 235 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1k1l h VAL 235 Cb 0.24 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1k1l h VAL 235 CO 0.00 0.08 -0.02 0.28 0.02 0.00 0.00 177.57 177.93 1k1l h SER 236 N 0.43 -0.04 -0.47 0.57 0.02 -1.89 -0.40 113.55 111.77 1k1l h SER 236 Ca 0.36 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1k1l h SER 236 Cb 0.49 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 1k1l h SER 236 CO -0.36 0.08 0.19 -0.25 -1.14 0.00 0.00 176.83 175.36 1k1l h TRP 237 N -0.16 0.34 0.59 3.45 7.01 -1.69 0.13 115.95 125.63 1k1l h TRP 237 Ca -0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1k1l h TRP 237 Cb 0.14 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1k1l h TRP 237 CO -0.04 0.13 -0.38 0.82 -2.79 0.00 0.00 178.44 176.18 1k1l h ILE 238 N 0.38 0.22 -0.54 2.65 2.04 -0.70 0.11 117.51 121.67 1k1l h ILE 238 Ca 0.22 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.17 1k1l h ILE 238 Cb 0.20 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1k1l h ILE 238 CO -0.20 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.18 1k1l h LYS 239 N -0.93 0.26 -0.49 2.37 1.57 -0.61 0.55 116.57 119.29 1k1l h LYS 239 Ca -0.07 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1k1l h LYS 239 Cb 0.76 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1k1l h LYS 239 CO 0.06 0.17 -0.05 1.96 -0.57 0.00 0.00 179.45 181.02 1k1l h GLN 240 N 0.27 0.90 -0.30 3.15 4.20 -0.58 -1.36 115.11 121.40 1k1l h GLN 240 Ca 0.27 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1k1l h GLN 240 Cb 0.37 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1k1l h GLN 240 CO -0.34 0.96 0.07 1.15 -0.67 0.00 0.00 178.83 180.00 1k1l h THR 241 N 0.76 1.22 -0.63 -0.54 2.02 -0.19 -2.15 112.91 113.39 1k1l h THR 241 Ca 0.13 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1k1l h THR 241 Cb 0.58 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1k1l h THR 241 CO 0.03 0.24 0.16 0.40 0.37 0.00 0.00 175.52 176.72 1k1l h ILE 242 N 0.32 1.25 0.00 3.11 2.04 -0.84 -2.51 117.51 120.88 1k1l h ILE 242 Ca 0.09 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1k1l h ILE 242 Cb 0.29 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1k1l h ILE 242 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.49 1k1l h ALA 243 N 1.22 1.00 -0.02 1.87 0.00 -1.08 -3.03 119.26 119.22 1k1l h ALA 243 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k1l h ALA 243 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1k1l h ALA 243 CO -0.00 0.00 -0.23 -1.13 0.00 0.00 0.00 179.25 177.89 1k1l n SER 244 N -2.87 2.29 0.00 0.00 3.41 -0.82 -5.08 113.62 110.55 1k1l n SER 244 Ca 0.01 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1k1l n SER 244 Cb 0.30 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1k1l n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47