#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3x s VAL 17 N 0.00 5.40 0.00 1.39 1.01 0.51 -4.05 120.40 124.67 1y3x s VAL 17 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1y3x s VAL 17 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1y3x s VAL 17 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1y3x n GLY 18 N 3.43 0.46 0.00 4.51 0.00 -1.24 -1.86 105.19 110.48 1y3x n GLY 18 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1y3x n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y3x n GLY 19 N -2.94 1.91 3.12 -0.02 0.00 -1.26 -4.87 105.19 101.11 1y3x n GLY 19 Ca 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 1y3x n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y3x s TYR 20 N 1.81 0.69 0.02 1.61 1.13 0.14 -4.92 117.35 117.83 1y3x s TYR 20 Ca 0.00 -0.88 -0.30 0.00 -1.41 0.00 0.00 57.07 54.48 1y3x s TYR 20 Cb 0.00 -0.44 -0.08 0.00 -1.10 0.00 0.00 41.96 40.34 1y3x s TYR 20 CO 0.00 -0.22 1.86 0.99 -2.51 0.00 0.00 175.55 175.67 1y3x s THR 21 N -3.27 3.16 0.17 -3.49 2.01 -1.26 0.02 115.64 112.97 1y3x s THR 21 Ca 0.05 0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 1y3x s THR 21 Cb 0.03 -3.15 0.07 0.00 0.01 0.00 0.00 72.50 69.46 1y3x s THR 21 CO -0.06 -0.02 1.70 0.00 -0.69 0.00 0.00 174.62 175.56 1y3x n GLY 23 N -0.71 2.63 3.67 0.00 0.00 -1.26 -4.83 105.19 104.69 1y3x n GLY 23 Ca 0.03 -1.43 -0.49 0.00 0.00 0.00 0.00 46.02 44.14 1y3x n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3x n ALA 24 N 1.62 0.69 -1.57 4.61 0.00 -1.26 -2.17 120.51 122.43 1y3x n ALA 24 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1y3x n ALA 24 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 1y3x n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y3x n ASN 25 N 4.58 -4.80 -0.03 0.00 5.03 -1.26 -4.86 115.26 113.92 1y3x n ASN 25 Ca 0.20 0.32 0.14 0.00 0.87 0.00 0.00 54.58 56.11 1y3x n ASN 25 Cb 0.26 -3.68 0.66 0.00 -1.02 0.00 0.00 39.78 36.00 1y3x n ASN 25 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1y3x n THR 26 N -2.77 0.00 -3.37 3.41 -2.24 -0.92 -4.07 114.28 104.31 1y3x n THR 26 Ca -0.16 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 1y3x n THR 26 Cb 0.52 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1y3x n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1y3x n VAL 27 N -1.26 0.56 0.36 2.28 0.31 -1.26 -4.98 118.33 114.33 1y3x n VAL 27 Ca 0.12 -4.45 0.11 0.00 -0.01 0.00 0.00 64.34 60.11 1y3x n VAL 27 Cb 0.28 -1.99 0.47 0.00 -0.91 0.00 0.00 33.84 31.69 1y3x n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1y3x n PRO 28 N 1.45 0.16 0.00 5.55 -0.04 -1.26 -1.94 135.00 138.92 1y3x n PRO 28 Ca 0.25 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.28 1y3x n PRO 28 Cb 0.46 -1.84 0.32 0.00 -0.04 0.00 0.00 33.50 32.40 1y3x n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1y3x n TYR 29 N -2.15 0.00 -2.51 0.54 0.18 -1.16 -2.01 117.16 110.06 1y3x n TYR 29 Ca 0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.38 1y3x n TYR 29 Cb 0.18 -0.08 -0.03 0.00 -0.38 0.00 0.00 39.34 39.03 1y3x n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1y3x s GLN 30 N -2.41 4.52 0.21 -3.48 2.00 -0.82 -0.99 119.66 118.68 1y3x s GLN 30 Ca 0.25 1.68 0.11 0.00 -2.00 0.00 0.00 55.36 55.40 1y3x s GLN 30 Cb 0.19 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.62 1y3x s GLN 30 CO 0.50 -0.09 -0.21 0.14 -0.50 0.00 0.00 175.29 175.12 1y3x s VAL 31 N 0.57 2.22 -0.15 1.34 -7.23 -0.37 -4.41 120.40 112.36 1y3x s VAL 31 Ca 0.54 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1y3x s VAL 31 Cb -0.28 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 1y3x s VAL 31 CO 0.31 -0.25 -0.07 -0.55 -0.31 0.00 0.00 175.10 174.23 1y3x s SER 32 N -2.88 4.51 -0.24 4.85 0.15 -0.74 -2.00 113.70 117.35 1y3x s SER 32 Ca 0.22 -0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.51 1y3x s SER 32 Cb -0.06 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1y3x s SER 32 CO 0.10 0.16 0.35 -0.76 1.20 0.00 0.00 173.24 174.29 1y3x s LEU 33 N 0.41 4.10 -0.07 3.45 1.43 -0.11 -0.13 118.68 127.77 1y3x s LEU 33 Ca -0.06 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1y3x s LEU 33 Cb -0.15 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.67 1y3x s LEU 33 CO 0.04 -0.10 -0.15 0.21 0.23 0.00 0.00 176.35 176.58 1y3x s ASN 34 N 1.30 2.06 -0.39 2.29 3.84 -0.32 -1.44 114.94 122.28 1y3x s ASN 34 Ca 0.15 -0.35 0.11 0.00 0.21 0.00 0.00 52.86 52.98 1y3x s ASN 34 Cb -0.15 -0.91 0.43 0.00 -0.55 0.00 0.00 41.25 40.07 1y3x s ASN 34 CO 0.08 0.07 1.00 -1.54 -2.79 0.00 0.00 177.10 173.93 1y3x n SER 37 N 3.67 3.01 0.00 -4.21 3.41 -1.26 -0.97 113.62 117.27 1y3x n SER 37 Ca -0.22 -3.23 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 1y3x n SER 37 Cb 0.52 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1y3x n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y3x n GLY 38 N -0.23 0.65 3.56 5.00 0.00 -1.26 -4.99 105.19 107.91 1y3x n GLY 38 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 1y3x n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y3x s TYR 39 N -2.41 -0.25 0.05 1.61 1.13 -1.26 -5.13 117.35 111.09 1y3x s TYR 39 Ca 0.00 0.23 -0.31 0.00 -1.41 0.00 0.00 57.07 55.59 1y3x s TYR 39 Cb 0.00 0.51 -0.06 0.00 -1.10 0.00 0.00 41.96 41.31 1y3x s TYR 39 CO 0.00 -0.35 1.28 -1.58 -2.51 0.00 0.00 175.55 172.39 1y3x s HIS 40 N -2.36 3.25 0.00 -3.49 5.65 -1.26 -4.29 115.29 112.79 1y3x s HIS 40 Ca 0.06 1.12 0.00 0.00 0.25 0.00 0.00 55.06 56.49 1y3x s HIS 40 Cb -0.01 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.87 1y3x s HIS 40 CO -0.05 -1.75 0.00 1.97 -0.65 0.00 0.00 174.74 174.26 1y3x n PHE 41 N 4.36 0.00 -3.48 3.88 1.16 -0.52 -4.99 117.46 117.88 1y3x n PHE 41 Ca 0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.58 1y3x n PHE 41 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 1y3x n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1y3x n GLY 43 N -0.35 1.98 3.90 0.00 0.00 0.30 -0.93 105.19 110.09 1y3x n GLY 43 Ca -0.14 -2.19 -0.01 0.00 0.00 0.00 0.00 46.02 43.68 1y3x n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y3x s GLY 44 N -3.62 -0.00 -0.05 -0.02 0.00 -0.85 -3.83 107.32 98.96 1y3x s GLY 44 Ca 0.37 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.96 1y3x s GLY 44 CO 0.24 3.30 -0.09 -0.56 0.00 0.00 0.00 173.10 175.99 1y3x s SER 45 N -3.50 1.35 -0.14 1.64 0.01 -0.40 -1.24 113.70 111.41 1y3x s SER 45 Ca 0.24 -0.21 -0.29 0.00 1.31 0.00 0.00 55.95 56.99 1y3x s SER 45 Cb -0.02 -0.61 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 1y3x s SER 45 CO 0.03 0.00 1.16 -0.22 0.41 0.00 0.00 173.24 174.62 1y3x s LEU 46 N 0.71 4.20 -0.00 2.44 2.96 -0.16 -0.83 118.68 128.00 1y3x s LEU 46 Ca -0.12 1.63 0.08 0.00 -0.22 0.00 0.00 54.13 55.50 1y3x s LEU 46 Cb -0.15 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 1y3x s LEU 46 CO 0.02 -0.64 0.28 2.30 -1.32 0.00 0.00 176.35 176.99 1y3x n ILE 47 N 5.03 0.00 -3.13 6.68 -5.35 -0.35 -0.73 119.36 121.50 1y3x n ILE 47 Ca 0.12 -0.27 -0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1y3x n ILE 47 Cb 0.46 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 1y3x n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1y3x n ASN 48 N -1.41 -0.11 0.01 7.28 0.23 -1.18 -4.61 115.26 115.48 1y3x n ASN 48 Ca 0.00 -1.08 0.08 0.00 -0.53 0.00 0.00 54.58 53.05 1y3x n ASN 48 Cb 0.16 0.18 0.34 0.00 -2.08 0.00 0.00 39.78 38.38 1y3x n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1y3x n SER 49 N -1.21 0.06 0.00 0.53 3.41 -1.26 -3.26 113.62 111.89 1y3x n SER 49 Ca -0.00 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1y3x n SER 49 Cb 0.03 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1y3x n SER 49 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1y3x n GLN 50 N -1.57 0.31 -4.21 4.33 7.27 -1.26 0.13 117.38 122.39 1y3x n GLN 50 Ca 0.04 -0.61 -0.16 0.00 0.07 0.00 0.00 57.00 56.33 1y3x n GLN 50 Cb 0.18 -0.80 -0.14 0.00 2.41 0.00 0.00 30.24 31.89 1y3x n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1y3x s TRP 51 N -0.23 0.60 0.02 3.69 0.52 -1.20 -0.56 118.94 121.78 1y3x s TRP 51 Ca 0.00 -0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.04 1y3x s TRP 51 Cb 0.00 -0.38 -0.02 0.00 -1.15 0.00 0.00 33.47 31.92 1y3x s TRP 51 CO 0.00 -0.02 -0.24 0.08 0.02 0.00 0.00 176.95 176.80 1y3x s VAL 52 N -0.31 1.89 -0.12 4.03 1.01 -0.12 -1.21 120.40 125.58 1y3x s VAL 52 Ca 0.01 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 1y3x s VAL 52 Cb -0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1y3x s VAL 52 CO -0.00 0.36 -0.05 -0.69 0.00 0.00 0.00 175.10 174.73 1y3x s VAL 53 N -0.72 3.86 0.00 2.92 1.01 -0.01 -0.68 120.40 126.78 1y3x s VAL 53 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1y3x s VAL 53 Cb -0.09 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1y3x s VAL 53 CO 0.01 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.42 1y3x n SER 54 N 2.90 0.00 -4.84 3.32 2.88 -0.14 -1.28 113.62 116.46 1y3x n SER 54 Ca -0.18 -0.70 -0.36 0.00 -1.33 0.00 0.00 58.87 56.30 1y3x n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1y3x n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y3x s ALA 55 N -1.75 3.66 0.38 -1.46 0.00 -1.26 -1.47 121.76 119.86 1y3x s ALA 55 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.83 1y3x s ALA 55 Cb 0.00 -2.43 0.80 0.00 0.00 0.00 0.00 23.12 21.49 1y3x s ALA 55 CO 0.00 0.49 1.98 0.00 0.00 0.00 0.00 175.76 178.23 1y3x h ALA 56 N 4.07 1.74 0.00 0.00 0.00 -1.70 -1.52 119.26 121.86 1y3x h ALA 56 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1y3x h ALA 56 Cb 1.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1y3x h ALA 56 CO 0.64 0.16 0.00 -2.39 0.00 0.00 0.00 179.25 177.66 1y3x n HIS 57 N -4.47 0.00 1.47 0.00 1.44 -1.26 -1.30 115.22 111.09 1y3x n HIS 57 Ca 0.09 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.94 1y3x n HIS 57 Cb 0.21 -0.17 0.54 0.00 0.12 0.00 0.00 29.99 30.69 1y3x n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1y3x n TYR 59 N -0.35 2.40 -3.86 0.00 9.36 -0.42 -5.00 117.16 119.29 1y3x n TYR 59 Ca 0.17 0.34 -0.07 0.00 3.32 0.00 0.00 57.90 61.66 1y3x n TYR 59 Cb 0.32 -2.52 -0.02 0.00 -0.63 0.00 0.00 39.34 36.49 1y3x n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1y3x s LYS 60 N -0.21 1.81 0.49 2.98 -2.85 -1.26 -5.15 119.74 115.55 1y3x s LYS 60 Ca 0.68 -1.04 -0.04 0.00 -1.00 0.00 0.00 55.97 54.57 1y3x s LYS 60 Cb -0.60 0.60 -0.02 0.00 -2.06 0.00 0.00 37.83 35.75 1y3x s LYS 60 CO 0.47 -0.83 0.78 -1.54 0.10 0.00 0.00 175.35 174.33 1y3x s SER 61 N -2.94 6.02 0.00 0.03 1.04 -1.26 -4.43 113.70 112.16 1y3x s SER 61 Ca 0.12 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1y3x s SER 61 Cb -0.06 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1y3x s SER 61 CO 0.08 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1y3x n GLY 62 N -2.27 0.66 3.72 7.32 0.00 -1.26 -5.01 105.19 108.34 1y3x n GLY 62 Ca 0.01 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1y3x n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3x s ILE 63 N -2.00 4.90 -0.18 -0.61 1.01 -1.26 -4.59 121.20 118.47 1y3x s ILE 63 Ca 0.00 1.68 -0.06 0.00 0.00 0.00 0.00 60.65 62.26 1y3x s ILE 63 Cb 0.00 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1y3x s ILE 63 CO 0.00 0.26 0.04 -1.58 0.00 0.00 0.00 174.94 173.65 1y3x s GLN 64 N 0.61 3.88 -0.12 2.79 0.74 -0.15 -1.73 119.66 125.69 1y3x s GLN 64 Ca 0.42 -0.40 -0.17 0.00 0.05 0.00 0.00 55.36 55.26 1y3x s GLN 64 Cb -0.19 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 1y3x s GLN 64 CO 0.22 0.24 0.45 0.08 -0.55 0.00 0.00 175.29 175.74 1y3x s VAL 65 N 0.43 5.20 -0.25 1.34 1.01 0.10 -1.17 120.40 127.07 1y3x s VAL 65 Ca 0.01 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 1y3x s VAL 65 Cb -0.13 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1y3x s VAL 65 CO 0.01 0.34 -0.07 -0.13 0.00 0.00 0.00 175.10 175.25 1y3x s ARG 66 N 0.57 2.75 0.15 2.72 0.52 0.82 -0.91 118.95 125.57 1y3x s ARG 66 Ca 0.25 -1.03 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 1y3x s ARG 66 Cb -0.15 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1y3x s ARG 66 CO 0.09 -0.42 0.15 -0.51 0.02 0.00 0.00 175.30 174.63 1y3x s LEU 67 N 1.29 3.89 -1.16 2.53 1.02 0.17 -1.80 118.68 124.62 1y3x s LEU 67 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1y3x s LEU 67 Cb -0.17 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.54 1y3x s LEU 67 CO -0.05 0.08 0.00 0.61 0.02 0.00 0.00 176.35 177.01 1y3x n GLY 69 N -0.24 1.21 3.80 -3.19 0.00 -1.26 -1.44 105.19 104.07 1y3x n GLY 69 Ca -0.08 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1y3x n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y3x s GLU 70 N -2.95 4.38 0.00 1.61 0.41 -1.26 -4.09 118.70 116.81 1y3x s GLU 70 Ca 0.00 1.17 0.00 0.00 -0.41 0.00 0.00 54.97 55.73 1y3x s GLU 70 Cb 0.00 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1y3x s GLU 70 CO 0.00 0.16 0.00 -3.47 -0.49 0.00 0.00 175.26 171.46 1y3x n ASP 71 N 0.03 0.00 -4.63 -0.19 2.03 -1.26 -4.62 116.55 107.92 1y3x n ASP 71 Ca 0.04 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.92 1y3x n ASP 71 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1y3x n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1y3x s ASN 72 N 0.70 6.63 0.00 1.67 3.84 -1.26 -3.42 114.94 123.11 1y3x s ASN 72 Ca 0.00 1.23 0.30 0.00 0.21 0.00 0.00 52.86 54.60 1y3x s ASN 72 Cb 0.00 -2.54 1.62 0.00 -0.55 0.00 0.00 41.25 39.78 1y3x s ASN 72 CO 0.00 -1.11 2.08 2.30 -2.79 0.00 0.00 177.10 177.58 1y3x n ILE 73 N 6.26 0.02 0.60 -5.21 -5.35 -0.42 -3.25 119.36 112.01 1y3x n ILE 73 Ca 0.15 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.70 1y3x n ILE 73 Cb 0.47 -0.52 0.01 0.00 -1.74 0.00 0.00 39.64 37.86 1y3x n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1y3x n ASN 74 N -1.18 1.63 -4.05 7.28 3.02 -1.26 -4.96 115.26 115.73 1y3x n ASN 74 Ca 0.17 -1.31 -0.22 0.00 -0.03 0.00 0.00 54.58 53.19 1y3x n ASN 74 Cb 0.19 0.36 -0.15 0.00 -0.61 0.00 0.00 39.78 39.56 1y3x n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y3x s VAL 75 N -1.56 0.96 -0.40 2.41 1.01 -1.20 -5.11 120.40 116.52 1y3x s VAL 75 Ca 0.12 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1y3x s VAL 75 Cb 0.11 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1y3x s VAL 75 CO 0.30 0.29 1.05 -0.69 0.00 0.00 0.00 175.10 176.05 1y3x s VAL 76 N 0.06 4.42 -0.33 2.92 1.01 -1.26 -4.75 120.40 122.46 1y3x s VAL 76 Ca -0.02 1.36 0.10 0.00 0.00 0.00 0.00 61.98 63.42 1y3x s VAL 76 Cb -0.08 -4.46 -0.12 0.00 0.00 0.00 0.00 36.38 31.72 1y3x s VAL 76 CO 0.01 -0.70 0.35 -0.62 0.00 0.00 0.00 175.10 174.14 1y3x n GLU 77 N 7.20 2.93 0.00 2.72 1.02 -1.26 -5.10 120.64 128.14 1y3x n GLU 77 Ca 0.10 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1y3x n GLU 77 Cb 0.48 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1y3x n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3x n GLY 78 N 1.41 2.57 2.80 0.62 0.00 -1.26 -5.00 105.19 106.33 1y3x n GLY 78 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1y3x n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y3x n ASN 79 N 0.00 0.00 -4.77 1.61 3.02 -1.26 -4.97 115.26 108.89 1y3x n ASN 79 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 1y3x n ASN 79 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1y3x n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1y3x s GLU 80 N -0.07 4.02 -0.10 3.52 8.01 -1.26 -4.41 118.70 128.42 1y3x s GLU 80 Ca 0.00 2.00 0.02 0.00 0.01 0.00 0.00 54.97 57.01 1y3x s GLU 80 Cb 0.00 -2.73 0.01 0.00 -4.31 0.00 0.00 34.13 27.10 1y3x s GLU 80 CO 0.00 -0.40 -0.16 -0.65 0.01 0.00 0.00 175.26 174.06 1y3x s GLN 81 N -2.24 2.27 -0.23 1.61 -0.21 -0.52 -4.99 119.66 115.35 1y3x s GLN 81 Ca 0.57 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 55.30 1y3x s GLN 81 Cb -0.35 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 1y3x s GLN 81 CO 0.44 0.00 0.00 -0.06 -2.12 0.00 0.00 175.29 173.55 1y3x s PHE 82 N 0.79 3.01 -0.04 0.91 0.08 -1.26 -0.66 117.98 120.81 1y3x s PHE 82 Ca -0.11 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.24 1y3x s PHE 82 Cb -0.16 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 1y3x s PHE 82 CO 0.02 -0.45 -0.03 0.42 -0.10 0.00 0.00 175.22 175.08 1y3x s ILE 83 N 1.47 0.39 0.54 0.64 1.01 -0.09 -4.97 121.20 120.20 1y3x s ILE 83 Ca 0.05 -0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 1y3x s ILE 83 Cb -0.15 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1y3x s ILE 83 CO -0.00 0.19 1.17 -0.44 0.00 0.00 0.00 174.94 175.87 1y3x s SER 84 N 0.99 5.61 0.12 3.58 0.01 -1.26 0.01 113.70 122.75 1y3x s SER 84 Ca -0.10 2.30 -0.30 0.00 1.31 0.00 0.00 55.95 59.16 1y3x s SER 84 Cb -0.14 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.43 1y3x s SER 84 CO -0.01 -1.30 1.16 0.00 0.41 0.00 0.00 173.24 173.51 1y3x s ALA 85 N -1.64 3.39 -0.08 1.44 0.00 -0.70 -1.23 121.76 122.93 1y3x s ALA 85 Ca 0.72 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.54 1y3x s ALA 85 Cb -0.28 -3.41 -0.25 0.00 0.00 0.00 0.00 23.12 19.18 1y3x s ALA 85 CO 0.31 -0.35 0.53 0.66 0.00 0.00 0.00 175.76 176.91 1y3x h SER 86 N 5.97 0.27 -4.53 0.00 4.64 -0.54 -3.44 113.55 115.92 1y3x h SER 86 Ca -0.43 -0.57 -0.10 0.00 -0.47 0.00 0.00 61.79 60.22 1y3x h SER 86 Cb 1.21 -0.09 -0.21 0.00 -0.31 0.00 0.00 62.40 63.00 1y3x h SER 86 CO 0.77 1.51 -0.16 -1.59 -0.87 0.00 0.00 176.83 176.49 1y3x s LYS 87 N -2.58 0.68 -0.09 4.77 -2.85 -1.18 -5.01 119.74 113.48 1y3x s LYS 87 Ca -0.14 0.23 0.03 0.00 -1.00 0.00 0.00 55.97 55.09 1y3x s LYS 87 Cb 0.07 0.31 0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1y3x s LYS 87 CO 0.80 -0.16 -0.20 -1.12 0.10 0.00 0.00 175.35 174.78 1y3x s SER 88 N -0.64 2.61 -0.37 0.03 0.01 -1.26 -1.08 113.70 112.99 1y3x s SER 88 Ca -0.07 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.74 1y3x s SER 88 Cb -0.03 -1.20 0.10 0.00 0.21 0.00 0.00 66.02 65.10 1y3x s SER 88 CO 0.04 0.11 0.10 -0.63 0.41 0.00 0.00 173.24 173.27 1y3x s ILE 89 N 0.50 2.55 0.31 1.44 1.01 0.15 -4.97 121.20 122.17 1y3x s ILE 89 Ca -0.17 -2.34 -0.28 0.00 0.00 0.00 0.00 60.65 57.86 1y3x s ILE 89 Cb -0.17 -2.84 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 1y3x s ILE 89 CO 0.06 -0.64 1.09 -0.69 0.00 0.00 0.00 174.94 174.77 1y3x s VAL 90 N 0.88 3.53 0.17 2.92 1.01 -1.26 -0.77 120.40 126.88 1y3x s VAL 90 Ca 0.11 1.45 -0.33 0.00 0.00 0.00 0.00 61.98 63.20 1y3x s VAL 90 Cb -0.20 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 1y3x s VAL 90 CO -0.07 0.28 1.63 1.57 0.00 0.00 0.00 175.10 178.51 1y3x n HIS 91 N 0.88 2.41 0.30 5.22 -0.00 -0.74 -4.85 115.22 118.45 1y3x n HIS 91 Ca 0.00 0.20 0.16 0.00 0.46 0.00 0.00 57.72 58.54 1y3x n HIS 91 Cb 0.46 -2.58 0.96 0.00 -0.12 0.00 0.00 29.99 28.71 1y3x n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1y3x h PRO 92 N 6.23 0.00 -0.58 1.57 0.11 -1.93 -1.53 132.00 135.87 1y3x h PRO 92 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1y3x h PRO 92 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1y3x h PRO 92 CO 0.91 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 179.14 1y3x n SER 93 N -3.68 3.15 -4.70 -2.05 7.64 -1.26 -4.98 113.62 107.75 1y3x n SER 93 Ca -0.03 -1.99 -0.44 0.00 1.01 0.00 0.00 58.87 57.42 1y3x n SER 93 Cb 0.09 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 1y3x n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3x n TYR 94 N 1.23 2.52 -4.03 1.43 9.36 -0.58 -4.70 117.16 122.39 1y3x n TYR 94 Ca 0.20 0.20 -0.34 0.00 3.32 0.00 0.00 57.90 61.28 1y3x n TYR 94 Cb 0.50 -2.59 -0.15 0.00 -0.63 0.00 0.00 39.34 36.47 1y3x n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1y3x s ASN 95 N 0.87 3.95 0.55 2.98 3.84 -0.97 -4.99 114.94 121.16 1y3x s ASN 95 Ca 0.74 -0.87 0.31 0.00 0.21 0.00 0.00 52.86 53.25 1y3x s ASN 95 Cb -0.59 -1.59 1.56 0.00 -0.55 0.00 0.00 41.25 40.08 1y3x s ASN 95 CO 0.39 -0.09 2.09 0.77 -2.79 0.00 0.00 177.10 177.46 1y3x h SER 96 N 7.95 0.00 0.33 -4.21 4.64 -1.94 0.30 113.55 120.62 1y3x h SER 96 Ca -0.35 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.64 1y3x h SER 96 Cb 1.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1y3x h SER 96 CO 0.58 0.09 -1.56 0.78 -0.87 0.00 0.00 176.83 175.84 1y3x h ASN 97 N 0.00 0.62 0.00 4.97 2.35 -1.98 -3.38 115.58 118.16 1y3x h ASN 97 Ca -0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1y3x h ASN 97 Cb 0.34 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1y3x h ASN 97 CO 0.01 1.63 -0.90 0.35 -1.65 0.00 0.00 177.43 176.88 1y3x n THR 98 N -3.59 0.00 -1.41 2.81 -2.24 -1.10 -4.99 114.28 103.76 1y3x n THR 98 Ca -0.18 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 1y3x n THR 98 Cb 1.07 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 70.09 1y3x n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1y3x n LEU 99 N -1.48 -0.72 -4.74 3.22 4.77 0.10 -4.99 117.00 113.17 1y3x n LEU 99 Ca 0.02 0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 1y3x n LEU 99 Cb 0.27 -2.68 -0.02 0.00 -2.33 0.00 0.00 43.42 38.66 1y3x n LEU 99 CO 0.31 -1.03 1.29 0.21 -1.33 0.00 0.00 177.39 176.85 1y3x s ASN 100 N -2.54 6.39 -1.08 -1.43 2.47 -1.25 -2.97 114.94 114.52 1y3x s ASN 100 Ca 0.00 2.90 -0.02 0.00 0.42 0.00 0.00 52.86 56.16 1y3x s ASN 100 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1y3x s ASN 100 CO 0.00 -0.93 0.91 0.59 -3.72 0.00 0.00 177.10 173.95 1y3x n ASN 101 N 2.99 -3.07 -4.52 -4.21 3.02 -1.26 -2.30 115.26 105.91 1y3x n ASN 101 Ca 0.12 -0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 53.71 1y3x n ASN 101 Cb 0.37 -4.50 -0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1y3x n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y3x s ASP 102 N -3.93 6.95 -0.13 6.41 2.15 -1.16 -4.28 116.67 122.67 1y3x s ASP 102 Ca 0.14 -2.70 -0.17 0.00 0.43 0.00 0.00 52.55 50.26 1y3x s ASP 102 Cb -0.06 -2.48 0.04 0.00 -0.30 0.00 0.00 42.92 40.12 1y3x s ASP 102 CO 0.63 -0.96 0.44 -0.51 -0.17 0.00 0.00 175.17 174.61 1y3x s ILE 103 N 2.83 0.01 -0.03 4.11 2.07 -1.26 -3.97 121.20 124.95 1y3x s ILE 103 Ca 0.47 -0.09 -0.06 0.00 -1.41 0.00 0.00 60.65 59.56 1y3x s ILE 103 Cb 0.00 -0.65 0.01 0.00 0.13 0.00 0.00 42.46 41.95 1y3x s ILE 103 CO 0.03 -0.05 0.16 -0.32 -1.91 0.00 0.00 174.94 172.85 1y3x s MET 104 N -0.16 0.32 -0.10 3.50 -2.45 -0.54 -1.79 119.30 118.08 1y3x s MET 104 Ca -0.03 -0.04 -0.01 0.00 -1.25 0.00 0.00 55.69 54.35 1y3x s MET 104 Cb -0.03 0.14 -0.03 0.00 1.25 0.00 0.00 34.83 36.16 1y3x s MET 104 CO 0.02 -0.06 -0.03 -0.51 1.05 0.00 0.00 175.02 175.49 1y3x s LEU 105 N -0.55 3.37 -0.14 4.11 1.02 0.05 -0.97 118.68 125.58 1y3x s LEU 105 Ca -0.06 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.14 1y3x s LEU 105 Cb -0.04 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.41 1y3x s LEU 105 CO 0.01 0.32 -0.21 -0.63 0.02 0.00 0.00 176.35 175.86 1y3x s ILE 106 N -0.56 2.14 -0.19 -0.59 1.01 0.15 0.29 121.20 123.45 1y3x s ILE 106 Ca 0.09 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1y3x s ILE 106 Cb -0.12 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1y3x s ILE 106 CO 0.02 0.55 0.32 -0.75 0.00 0.00 0.00 174.94 175.08 1y3x s LYS 107 N 0.76 4.20 0.36 2.79 2.20 -0.24 -0.94 119.74 128.86 1y3x s LYS 107 Ca -0.08 0.09 -0.25 0.00 -0.36 0.00 0.00 55.97 55.37 1y3x s LYS 107 Cb -0.16 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.58 1y3x s LYS 107 CO -0.00 0.09 1.02 -0.51 -0.36 0.00 0.00 175.35 175.59 1y3x s LEU 108 N 0.91 4.25 0.32 5.43 1.43 0.28 0.17 118.68 131.46 1y3x s LEU 108 Ca 0.16 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1y3x s LEU 108 Cb -0.14 -4.08 0.56 0.00 0.03 0.00 0.00 46.19 42.56 1y3x s LEU 108 CO 0.06 -0.30 1.90 0.50 0.23 0.00 0.00 176.35 178.74 1y3x h LYS 109 N 2.85 0.71 -4.66 1.70 3.64 -1.46 -3.42 116.57 115.93 1y3x h LYS 109 Ca -0.48 -0.11 -0.26 0.00 -1.27 0.00 0.00 60.65 58.53 1y3x h LYS 109 Cb 1.21 -0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.72 1y3x h LYS 109 CO 0.64 0.61 -0.72 -1.54 -2.27 0.00 0.00 179.45 176.17 1y3x s SER 110 N -6.61 1.05 0.24 4.20 1.04 -1.26 -5.00 113.70 107.36 1y3x s SER 110 Ca -0.09 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.27 1y3x s SER 110 Cb 0.16 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 1y3x s SER 110 CO 0.78 -0.32 1.31 0.00 0.98 0.00 0.00 173.24 175.99 1y3x s ALA 111 N -2.42 3.52 0.71 5.32 0.00 -1.26 -4.85 121.76 122.78 1y3x s ALA 111 Ca 0.01 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 1y3x s ALA 111 Cb -0.03 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1y3x s ALA 111 CO -0.02 -0.55 1.13 0.00 0.00 0.00 0.00 175.76 176.32 1y3x s ALA 112 N -0.30 2.30 -0.49 0.00 0.00 0.12 -4.98 121.76 118.40 1y3x s ALA 112 Ca 0.54 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.88 1y3x s ALA 112 Cb -0.38 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.43 1y3x s ALA 112 CO 0.43 -1.57 0.71 0.45 0.00 0.00 0.00 175.76 175.78 1y3x s SER 113 N -2.57 6.29 0.29 0.00 0.15 -1.26 -4.89 113.70 111.71 1y3x s SER 113 Ca 0.68 -0.58 -0.28 0.00 0.70 0.00 0.00 55.95 56.47 1y3x s SER 113 Cb -0.22 -2.34 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 1y3x s SER 113 CO 0.45 -0.93 1.00 -0.76 1.20 0.00 0.00 173.24 174.20 1y3x s LEU 114 N 3.01 4.47 0.00 3.45 1.43 -1.26 -4.77 118.68 125.01 1y3x s LEU 114 Ca 0.21 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1y3x s LEU 114 Cb -0.16 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.26 1y3x s LEU 114 CO 0.16 -0.07 0.00 -0.46 0.23 0.00 0.00 176.35 176.21 1y3x n ASN 115 N 0.95 0.00 0.26 2.29 0.23 0.03 -4.97 115.26 114.06 1y3x n ASN 115 Ca 0.00 -0.96 0.16 0.00 -0.53 0.00 0.00 54.58 53.25 1y3x n ASN 115 Cb 0.48 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.74 1y3x n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1y3x h SER 116 N 0.00 0.00 0.02 0.53 4.64 -2.01 -3.05 113.55 113.68 1y3x h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y3x h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1y3x h SER 116 CO 0.00 0.02 -1.45 0.54 -0.87 0.00 0.00 176.83 175.07 1y3x n ARG 117 N -3.11 0.31 -3.86 4.77 3.00 -1.26 -4.79 116.66 111.71 1y3x n ARG 117 Ca 0.01 -0.09 -0.29 0.00 -0.01 0.00 0.00 57.85 57.47 1y3x n ARG 117 Cb 0.36 -1.51 -0.16 0.00 0.00 0.00 0.00 32.46 31.15 1y3x n ARG 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1y3x s VAL 118 N -3.24 1.15 0.06 1.55 1.01 -1.15 -4.51 120.40 115.25 1y3x s VAL 118 Ca 0.01 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1y3x s VAL 118 Cb 0.15 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1y3x s VAL 118 CO 0.88 -0.14 0.28 0.00 0.00 0.00 0.00 175.10 176.12 1y3x s ALA 119 N 1.57 -0.58 0.48 5.51 0.00 -0.85 -0.79 121.76 127.11 1y3x s ALA 119 Ca -0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 1y3x s ALA 119 Cb -0.18 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1y3x s ALA 119 CO -0.07 -0.43 0.80 -1.54 0.00 0.00 0.00 175.76 174.52 1y3x s SER 120 N -2.24 6.30 -0.07 0.00 1.04 -1.26 -2.98 113.70 114.49 1y3x s SER 120 Ca -0.03 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1y3x s SER 120 Cb 0.00 -2.28 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 1y3x s SER 120 CO -0.05 -0.57 -0.06 -0.51 0.98 0.00 0.00 173.24 173.03 1y3x s ILE 121 N -2.72 3.79 0.36 -1.02 1.10 0.09 -4.87 121.20 117.93 1y3x s ILE 121 Ca 0.49 -0.45 -0.26 0.00 -0.51 0.00 0.00 60.65 59.92 1y3x s ILE 121 Cb -0.10 -2.56 -0.09 0.00 0.15 0.00 0.00 42.46 39.86 1y3x s ILE 121 CO 0.43 0.60 1.10 -0.44 -2.11 0.00 0.00 174.94 174.52 1y3x s SER 122 N -0.78 6.88 0.41 4.50 0.01 -1.26 -4.59 113.70 118.87 1y3x s SER 122 Ca 0.12 2.21 -0.22 0.00 1.31 0.00 0.00 55.95 59.37 1y3x s SER 122 Cb -0.11 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.41 1y3x s SER 122 CO 0.02 -0.42 0.97 -0.76 0.41 0.00 0.00 173.24 173.46 1y3x s LEU 123 N -2.16 4.02 0.59 2.44 1.43 -1.26 -0.80 118.68 122.93 1y3x s LEU 123 Ca 0.53 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 55.25 1y3x s LEU 123 Cb -0.28 -4.42 -0.04 0.00 0.03 0.00 0.00 46.19 41.48 1y3x s LEU 123 CO 0.36 -0.37 1.03 -2.16 0.23 0.00 0.00 176.35 175.44 1y3x s PRO 124 N -2.93 3.48 -0.01 1.29 0.04 -1.26 -4.82 135.00 130.79 1y3x s PRO 124 Ca 0.60 1.03 0.18 0.00 0.04 0.00 0.00 61.00 62.86 1y3x s PRO 124 Cb -0.13 -2.06 -0.23 0.00 0.04 0.00 0.00 34.50 32.12 1y3x s PRO 124 CO 0.17 -0.67 0.63 0.25 0.04 0.00 0.00 177.00 177.42 1y3x n THR 125 N -2.17 0.00 -3.93 1.26 -2.24 -1.26 -4.97 114.28 100.97 1y3x n THR 125 Ca 0.08 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1y3x n THR 125 Cb 0.53 0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 1y3x n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y3x s SER 127 N -3.26 0.20 0.60 3.42 1.04 -1.26 -5.16 113.70 109.28 1y3x s SER 127 Ca 0.02 -0.61 -0.16 0.00 0.48 0.00 0.00 55.95 55.68 1y3x s SER 127 Cb 0.13 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1y3x s SER 127 CO 0.76 -0.57 1.08 0.00 0.98 0.00 0.00 173.24 175.49 1y3x s ALA 129 N -2.35 3.47 0.31 0.00 0.00 -1.26 -5.08 121.76 116.86 1y3x s ALA 129 Ca 0.65 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1y3x s ALA 129 Cb -0.18 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1y3x s ALA 129 CO 0.37 0.01 0.47 -1.54 0.00 0.00 0.00 175.76 175.06 1y3x s SER 130 N -3.40 6.15 0.25 0.00 1.04 -1.26 -5.02 113.70 111.46 1y3x s SER 130 Ca 0.47 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.69 1y3x s SER 130 Cb -0.10 -1.66 -0.14 0.00 0.10 0.00 0.00 66.02 64.21 1y3x s SER 130 CO 0.34 -0.30 1.18 0.00 0.98 0.00 0.00 173.24 175.44 1y3x n ALA 132 N -1.63 0.16 -0.13 5.32 0.00 -1.26 -1.83 120.51 121.14 1y3x n ALA 132 Ca -0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1y3x n ALA 132 Cb 0.57 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1y3x n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y3x n GLY 133 N 1.60 1.38 3.75 0.00 0.00 0.81 -4.97 105.19 107.76 1y3x n GLY 133 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1y3x n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y3x s THR 134 N -2.66 2.58 -0.06 2.61 2.01 -0.76 -4.68 115.64 114.68 1y3x s THR 134 Ca 0.00 0.51 -0.18 0.00 0.31 0.00 0.00 61.69 62.33 1y3x s THR 134 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1y3x s THR 134 CO 0.00 0.09 0.50 -1.58 -0.69 0.00 0.00 174.62 172.93 1y3x s GLN 135 N -0.68 4.24 0.20 4.92 2.00 -1.26 -1.63 119.66 127.46 1y3x s GLN 135 Ca 0.58 0.52 0.07 0.00 -2.00 0.00 0.00 55.36 54.53 1y3x s GLN 135 Cb -0.42 -3.36 -0.05 0.00 0.80 0.00 0.00 33.01 29.98 1y3x s GLN 135 CO 0.46 0.34 -0.11 0.00 -0.50 0.00 0.00 175.29 175.48 1y3x s LEU 137 N -3.30 3.35 -0.07 0.00 2.96 0.92 -0.58 118.68 121.97 1y3x s LEU 137 Ca 0.22 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1y3x s LEU 137 Cb 0.01 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1y3x s LEU 137 CO 0.06 0.05 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.37 1y3x s ILE 138 N 1.12 3.10 0.02 6.68 1.01 0.31 -1.29 121.20 132.15 1y3x s ILE 138 Ca 0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1y3x s ILE 138 Cb -0.14 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1y3x s ILE 138 CO 0.02 0.57 0.10 -0.94 0.00 0.00 0.00 174.94 174.69 1y3x s SER 139 N -0.43 0.13 0.00 3.58 1.04 -1.23 -0.34 113.70 116.46 1y3x s SER 139 Ca 0.05 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1y3x s SER 139 Cb -0.12 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1y3x s SER 139 CO 0.02 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1y3x n GLY 140 N 1.08 0.80 1.45 7.32 0.00 -0.66 -4.46 105.19 110.73 1y3x n GLY 140 Ca -0.21 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 1y3x n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1y3x n TRP 141 N -0.26 1.67 -1.87 1.61 8.01 -1.26 -1.76 117.44 123.59 1y3x n TRP 141 Ca 0.00 -1.31 -0.30 0.00 -1.31 0.00 0.00 57.50 54.58 1y3x n TRP 141 Cb 0.00 -0.55 0.21 0.00 -2.01 0.00 0.00 31.31 28.96 1y3x n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1y3x s GLY 142 N -1.79 1.80 0.36 6.99 0.00 -1.26 -4.38 107.32 109.05 1y3x s GLY 142 Ca 0.48 -1.29 -0.27 0.00 0.00 0.00 0.00 44.72 43.64 1y3x s GLY 142 CO 0.08 -0.46 1.26 -2.01 0.00 0.00 0.00 173.10 171.97 1y3x n ASN 143 N -3.94 2.58 -0.92 1.64 5.15 0.68 -2.99 115.26 117.48 1y3x n ASN 143 Ca 0.16 1.18 0.10 0.00 -0.60 0.00 0.00 54.58 55.42 1y3x n ASN 143 Cb 0.59 -1.47 0.16 0.00 -0.53 0.00 0.00 39.78 38.53 1y3x n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1y3x n THR 144 N 0.16 0.44 -5.18 -0.44 -2.24 -0.35 -1.26 114.28 105.42 1y3x n THR 144 Ca 0.05 -0.72 -0.31 0.00 -2.27 0.00 0.00 64.05 60.81 1y3x n THR 144 Cb 0.37 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.45 1y3x n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1y3x s LYS 145 N -1.34 2.09 0.03 -0.78 -0.14 -1.26 -4.41 119.74 113.93 1y3x s LYS 145 Ca 0.30 -0.94 0.05 0.00 -1.36 0.00 0.00 55.97 54.03 1y3x s LYS 145 Cb 0.18 -2.06 -0.24 0.00 -1.68 0.00 0.00 37.83 34.03 1y3x s LYS 145 CO 0.25 0.56 0.96 0.66 -0.76 0.00 0.00 175.35 177.02 1y3x h SER 146 N 5.33 0.12 -3.68 2.83 4.64 -1.93 -3.42 113.55 117.45 1y3x h SER 146 Ca -0.44 -0.18 -0.68 0.00 -0.47 0.00 0.00 61.79 60.02 1y3x h SER 146 Cb 1.13 -0.04 -0.31 0.00 -0.31 0.00 0.00 62.40 62.87 1y3x h SER 146 CO 0.47 1.15 -0.69 -0.94 -0.87 0.00 0.00 176.83 175.95 1y3x s SER 147 N -6.61 4.87 0.00 4.97 1.04 -1.26 -4.70 113.70 112.01 1y3x s SER 147 Ca -0.04 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1y3x s SER 147 Cb 0.08 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1y3x s SER 147 CO 0.83 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1y3x n GLY 148 N 4.69 -2.52 2.98 7.32 0.00 -1.26 -5.00 105.19 111.40 1y3x n GLY 148 Ca -0.14 -2.17 -0.28 0.00 0.00 0.00 0.00 46.02 43.43 1y3x n GLY 148 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y3x s THR 149 N -0.75 1.32 -0.32 2.61 -1.32 -1.26 -4.65 115.64 111.28 1y3x s THR 149 Ca 0.00 -0.49 0.01 0.00 -1.21 0.00 0.00 61.69 60.01 1y3x s THR 149 Cb 0.00 -1.27 0.15 0.00 -1.51 0.00 0.00 72.50 69.87 1y3x s THR 149 CO 0.00 0.41 0.35 -0.55 -2.21 0.00 0.00 174.62 172.63 1y3x s SER 150 N 1.47 1.17 -0.04 8.08 0.15 -1.26 -5.00 113.70 118.27 1y3x s SER 150 Ca 0.02 -0.91 -0.13 0.00 0.70 0.00 0.00 55.95 55.64 1y3x s SER 150 Cb -0.13 0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 64.82 1y3x s SER 150 CO -0.08 -0.34 0.33 -0.31 1.20 0.00 0.00 173.24 174.04 1y3x s TYR 151 N 2.12 3.68 0.51 3.44 2.02 -1.26 -1.21 117.35 126.66 1y3x s TYR 151 Ca 0.12 0.85 -0.05 0.00 -0.37 0.00 0.00 57.07 57.62 1y3x s TYR 151 Cb -0.14 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1y3x s TYR 151 CO -0.23 0.66 0.81 -1.25 -1.57 0.00 0.00 175.55 173.97 1y3x s PRO 152 N -1.01 3.40 -0.03 -1.71 0.04 -1.26 -5.00 135.00 129.43 1y3x s PRO 152 Ca 0.21 0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.26 1y3x s PRO 152 Cb -0.15 -2.35 -0.32 0.00 0.04 0.00 0.00 34.50 31.71 1y3x s PRO 152 CO 0.10 -0.32 0.78 -0.44 0.04 0.00 0.00 177.00 177.17 1y3x h ASP 153 N 0.14 0.65 -1.82 6.66 3.32 -1.94 -3.47 116.42 119.96 1y3x h ASP 153 Ca -0.47 -0.92 -0.51 0.00 0.02 0.00 0.00 57.03 55.15 1y3x h ASP 153 Cb 1.22 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 1y3x h ASP 153 CO 0.61 1.71 -0.47 0.68 -1.72 0.00 0.00 179.24 180.05 1y3x s VAL 154 N -2.56 3.30 0.14 -1.35 -7.23 -1.26 -1.30 120.40 110.14 1y3x s VAL 154 Ca -0.14 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1y3x s VAL 154 Cb 0.04 -3.11 -0.08 0.00 0.56 0.00 0.00 36.38 33.80 1y3x s VAL 154 CO 0.87 -0.16 1.27 -0.22 -0.31 0.00 0.00 175.10 176.56 1y3x s LEU 155 N -3.96 4.40 0.11 1.32 2.96 -1.22 -4.83 118.68 117.45 1y3x s LEU 155 Ca 0.41 2.25 0.05 0.00 -0.22 0.00 0.00 54.13 56.62 1y3x s LEU 155 Cb -0.04 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1y3x s LEU 155 CO 0.26 -0.50 0.01 -0.54 -1.32 0.00 0.00 176.35 174.25 1y3x s LYS 156 N 0.41 2.56 0.09 1.98 -0.14 -0.72 -1.77 119.74 122.15 1y3x s LYS 156 Ca 0.58 -0.87 0.07 0.00 -1.36 0.00 0.00 55.97 54.39 1y3x s LYS 156 Cb -0.34 -2.53 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1y3x s LYS 156 CO 0.34 0.52 -0.19 0.00 -0.76 0.00 0.00 175.35 175.27 1y3x s LEU 158 N -1.80 0.53 -0.14 0.00 2.96 0.54 -0.68 118.68 120.09 1y3x s LEU 158 Ca 0.04 0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 1y3x s LEU 158 Cb -0.10 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 47.10 1y3x s LEU 158 CO 0.03 -0.16 0.47 -0.54 -1.32 0.00 0.00 176.35 174.83 1y3x s LYS 159 N 1.26 4.31 -0.06 1.98 -0.14 -1.26 -0.53 119.74 125.29 1y3x s LYS 159 Ca -0.09 0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 54.87 1y3x s LYS 159 Cb -0.11 -3.46 0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1y3x s LYS 159 CO -0.07 0.10 0.17 0.00 -0.76 0.00 0.00 175.35 174.79 1y3x s ALA 160 N 0.81 -0.43 0.33 5.17 0.00 0.26 -4.95 121.76 122.95 1y3x s ALA 160 Ca 0.25 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 1y3x s ALA 160 Cb -0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1y3x s ALA 160 CO 0.10 -0.10 0.66 -1.25 0.00 0.00 0.00 175.76 175.16 1y3x s PRO 161 N -0.13 3.75 0.03 0.00 0.04 -1.26 -0.25 135.00 137.18 1y3x s PRO 161 Ca -0.02 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.00 1y3x s PRO 161 Cb -0.02 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 1y3x s PRO 161 CO 0.00 0.12 1.19 0.42 0.04 0.00 0.00 177.00 178.77 1y3x s ILE 162 N -2.15 4.13 0.49 0.56 1.01 -0.64 -1.33 121.20 123.27 1y3x s ILE 162 Ca 0.48 1.52 -0.03 0.00 0.00 0.00 0.00 60.65 62.62 1y3x s ILE 162 Cb -0.11 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 1y3x s ILE 162 CO 0.28 0.09 0.76 -0.76 0.00 0.00 0.00 174.94 175.31 1y3x s LEU 163 N 1.31 3.56 0.72 2.97 1.43 0.18 -0.13 118.68 128.71 1y3x s LEU 163 Ca 0.58 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1y3x s LEU 163 Cb -0.28 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 42.47 1y3x s LEU 163 CO 0.28 -0.73 1.09 -0.94 0.23 0.00 0.00 176.35 176.28 1y3x s SER 164 N -4.19 4.85 0.38 2.29 1.04 -1.26 -4.68 113.70 112.13 1y3x s SER 164 Ca 0.49 1.84 0.07 0.00 0.48 0.00 0.00 55.95 58.82 1y3x s SER 164 Cb -0.10 -2.53 0.76 0.00 0.10 0.00 0.00 66.02 64.25 1y3x s SER 164 CO 0.42 -1.80 1.96 0.44 0.98 0.00 0.00 173.24 175.23 1y3x h ASP 165 N -0.70 0.41 -0.39 7.02 5.19 -1.97 -1.10 116.42 124.88 1y3x h ASP 165 Ca -0.45 -0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 55.78 1y3x h ASP 165 Cb 1.23 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 1y3x h ASP 165 CO 0.53 0.43 -0.27 0.77 -3.12 0.00 0.00 179.24 177.58 1y3x h SER 166 N 0.44 0.95 -0.03 6.45 4.64 -1.99 -0.02 113.55 124.00 1y3x h SER 166 Ca 0.10 -0.38 -0.15 0.00 -0.47 0.00 0.00 61.79 60.90 1y3x h SER 166 Cb 0.19 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1y3x h SER 166 CO -0.00 1.15 -0.49 0.28 -0.87 0.00 0.00 176.83 176.90 1y3x h SER 167 N 0.78 0.64 0.01 4.97 0.02 -1.80 -1.28 113.55 116.89 1y3x h SER 167 Ca 0.09 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1y3x h SER 167 Cb 0.83 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1y3x h SER 167 CO 0.07 1.02 -0.00 0.00 -1.14 0.00 0.00 176.83 176.78 1y3x h LYS 169 N -0.05 0.00 -0.26 0.00 1.57 -0.98 -2.06 116.57 114.79 1y3x h LYS 169 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1y3x h LYS 169 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1y3x h LYS 169 CO 0.00 0.32 -0.35 0.77 -0.57 0.00 0.00 179.45 179.62 1y3x h SER 170 N 0.00 0.59 -0.14 0.86 0.02 -0.99 -2.03 113.55 111.86 1y3x h SER 170 Ca -0.00 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.58 1y3x h SER 170 Cb 0.58 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1y3x h SER 170 CO 0.04 0.89 -0.33 0.00 -1.14 0.00 0.00 176.83 176.29 1y3x h ALA 171 N 1.15 0.87 -2.08 3.77 0.00 -0.87 -3.37 119.26 118.73 1y3x h ALA 171 Ca 0.05 -0.41 -0.54 0.00 0.00 0.00 0.00 54.91 54.02 1y3x h ALA 171 Cb 0.83 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.09 1y3x h ALA 171 CO 0.07 0.63 -0.99 0.66 0.00 0.00 0.00 179.25 179.62 1y3x n TYR 172 N -4.07 1.25 -1.77 0.00 4.01 -0.82 -4.97 117.16 110.80 1y3x n TYR 172 Ca -0.01 -3.83 -0.42 0.00 -0.16 0.00 0.00 57.90 53.48 1y3x n TYR 172 Cb 0.48 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1y3x n TYR 172 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1y3x s PRO 173 N -2.32 4.12 0.00 -0.72 0.04 -0.77 -1.71 135.00 133.64 1y3x s PRO 173 Ca 0.40 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1y3x s PRO 173 Cb 0.26 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1y3x s PRO 173 CO -0.09 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1y3x n GLY 174 N 2.42 1.00 0.32 0.56 0.00 -1.26 -4.84 105.19 103.39 1y3x n GLY 174 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1y3x n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1y3x n GLN 175 N -2.00 1.80 -3.58 1.61 6.02 -0.70 -4.95 117.38 115.58 1y3x n GLN 175 Ca 0.00 -0.74 -0.39 0.00 -0.01 0.00 0.00 57.00 55.86 1y3x n GLN 175 Cb 0.00 -1.21 -0.11 0.00 1.02 0.00 0.00 30.24 29.94 1y3x n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1y3x s ILE 176 N -1.72 5.26 0.61 5.09 -1.09 -1.25 -5.03 121.20 123.07 1y3x s ILE 176 Ca 0.12 0.03 0.08 0.00 -2.23 0.00 0.00 60.65 58.65 1y3x s ILE 176 Cb 0.11 -3.57 0.10 0.00 -1.58 0.00 0.00 42.46 37.52 1y3x s ILE 176 CO 0.36 0.17 0.84 0.42 -1.23 0.00 0.00 174.94 175.50 1y3x s THR 177 N 1.74 2.08 -1.20 2.92 -4.23 -1.26 -4.98 115.64 110.71 1y3x s THR 177 Ca 0.07 -0.94 0.17 0.00 -1.18 0.00 0.00 61.69 59.81 1y3x s THR 177 Cb -0.16 -2.14 0.22 0.00 1.34 0.00 0.00 72.50 71.75 1y3x s THR 177 CO 0.11 0.00 1.53 -1.54 -0.54 0.00 0.00 174.62 174.17 1y3x n SER 178 N -2.37 0.00 -1.46 3.99 3.41 -1.26 -2.22 113.62 113.70 1y3x n SER 178 Ca 0.16 0.29 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 1y3x n SER 178 Cb 0.62 -0.40 0.33 0.00 -0.26 0.00 0.00 64.21 64.50 1y3x n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y3x n ASN 179 N -1.40 4.31 -4.11 4.04 3.02 -1.26 -4.94 115.26 114.91 1y3x n ASN 179 Ca 0.06 -2.28 -0.15 0.00 -0.03 0.00 0.00 54.58 52.18 1y3x n ASN 179 Cb 0.17 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 38.69 1y3x n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1y3x s MET 180 N -1.57 0.67 0.05 3.52 -1.94 -0.94 -1.11 119.30 117.98 1y3x s MET 180 Ca 0.48 -0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1y3x s MET 180 Cb 0.29 -0.52 -0.03 0.00 2.01 0.00 0.00 34.83 36.59 1y3x s MET 180 CO 0.27 0.10 0.03 -0.59 -0.01 0.00 0.00 175.02 174.82 1y3x s PHE 181 N -1.45 0.38 0.03 -0.03 -0.12 -0.19 -4.80 117.98 111.81 1y3x s PHE 181 Ca -0.05 -0.85 -0.03 0.00 -0.05 0.00 0.00 56.93 55.95 1y3x s PHE 181 Cb -0.09 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1y3x s PHE 181 CO 0.01 -0.40 0.23 0.00 -0.05 0.00 0.00 175.22 175.01 1y3x s ALA 183 N -1.42 -0.10 0.00 0.00 0.00 -0.85 -0.65 121.76 118.74 1y3x s ALA 183 Ca 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1y3x s ALA 183 Cb -0.13 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1y3x s ALA 183 CO 0.22 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1y3x n GLY 184 N 1.51 0.53 2.66 0.00 0.00 -0.44 -2.59 105.19 106.86 1y3x n GLY 184 Ca -0.23 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 1y3x n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y3x s TYR 184 N -2.68 0.11 0.27 1.61 1.51 -1.26 -4.34 117.35 112.57 1y3x s TYR 184 Ca 0.00 0.12 0.29 0.00 -1.01 0.00 0.00 57.07 56.47 1y3x s TYR 184 Cb 0.00 -0.54 1.34 0.00 -0.11 0.00 0.00 41.96 42.65 1y3x s TYR 184 CO 0.00 -0.27 1.99 -0.07 -1.11 0.00 0.00 175.55 176.10 1y3x h LEU 185 N 8.43 0.00 0.00 -1.29 3.38 -1.95 -2.19 115.31 121.69 1y3x h LEU 185 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1y3x h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1y3x h LEU 185 CO 0.18 0.12 0.00 -1.84 0.09 0.00 0.00 178.44 176.99 1y3x n GLU 186 N -3.38 0.12 0.00 1.13 0.00 -1.26 -0.54 120.64 116.71 1y3x n GLU 186 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1y3x n GLU 186 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.24 1y3x n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y3x n GLY 187 N 1.28 -0.68 0.52 -1.84 0.00 -0.83 -4.58 105.19 99.07 1y3x n GLY 187 Ca 0.09 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1y3x n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y3x n GLY 188 N -0.73 1.97 2.86 -0.02 0.00 0.55 -4.97 105.19 104.84 1y3x n GLY 188 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1y3x n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3x s LYS 188 N -0.85 0.13 0.08 1.61 1.02 -1.26 -3.68 119.74 116.78 1y3x s LYS 188 Ca 0.00 0.49 -0.27 0.00 0.02 0.00 0.00 55.97 56.21 1y3x s LYS 188 Cb 0.00 -0.54 0.08 0.00 -0.52 0.00 0.00 37.83 36.85 1y3x s LYS 188 CO 0.00 -0.43 0.97 0.34 -0.92 0.00 0.00 175.35 175.31 1y3x s ASP 189 N 2.34 -0.22 0.73 2.83 2.15 -0.78 -4.37 116.67 119.35 1y3x s ASP 189 Ca 0.04 -0.25 -0.09 0.00 0.43 0.00 0.00 52.55 52.68 1y3x s ASP 189 Cb -0.13 0.42 0.06 0.00 -0.30 0.00 0.00 42.92 42.96 1y3x s ASP 189 CO -0.09 -0.74 1.07 -0.94 -0.17 0.00 0.00 175.17 174.30 1y3x s SER 190 N -2.78 4.87 0.13 -0.34 1.04 -1.26 -0.36 113.70 115.00 1y3x s SER 190 Ca 0.10 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.20 1y3x s SER 190 Cb -0.01 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 64.78 1y3x s SER 190 CO -0.02 -1.62 0.22 0.00 0.98 0.00 0.00 173.24 172.80 1y3x n GLN 192 N -0.20 2.10 0.00 0.00 7.27 -1.26 -1.14 117.38 124.14 1y3x n GLN 192 Ca -0.01 0.75 0.00 0.00 0.07 0.00 0.00 57.00 57.81 1y3x n GLN 192 Cb 0.21 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.36 1y3x n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y3x n GLY 193 N 3.20 1.43 0.07 1.69 0.00 -1.26 -0.23 105.19 110.10 1y3x n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1y3x n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y3x h ASP 194 N 0.00 0.00 -1.77 1.61 3.32 -1.46 -3.35 116.42 114.77 1y3x h ASP 194 Ca 0.00 -0.18 -0.65 0.00 0.02 0.00 0.00 57.03 56.22 1y3x h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1y3x h ASP 194 CO 0.00 0.09 -0.06 -1.20 -1.72 0.00 0.00 179.24 176.35 1y3x n SER 195 N -2.19 0.38 0.00 6.45 7.64 -1.26 -1.64 113.62 123.01 1y3x n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1y3x n SER 195 Cb 0.45 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1y3x n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y3x n GLY 196 N 1.68 2.83 3.77 0.23 0.00 -0.03 -0.54 105.19 113.13 1y3x n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1y3x n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y3x s GLY 197 N -1.84 1.58 0.37 -0.02 0.00 -0.65 -3.47 107.32 103.29 1y3x s GLY 197 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 44.72 44.04 1y3x s GLY 197 CO 0.00 0.08 0.86 2.56 0.00 0.00 0.00 173.10 176.59 1y3x s PRO 198 N -5.22 4.19 -0.27 2.90 0.04 -1.26 -0.71 135.00 134.66 1y3x s PRO 198 Ca 0.64 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1y3x s PRO 198 Cb -0.15 -2.39 0.07 0.00 0.04 0.00 0.00 34.50 32.07 1y3x s PRO 198 CO 0.54 0.10 -0.07 0.08 0.04 0.00 0.00 177.00 177.69 1y3x s VAL 199 N -2.00 2.04 -0.13 -0.36 1.01 -0.57 -3.50 120.40 116.88 1y3x s VAL 199 Ca 0.57 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1y3x s VAL 199 Cb -0.11 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1y3x s VAL 199 CO 0.16 -0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.28 1y3x s VAL 200 N 1.13 2.94 -0.08 2.92 1.01 -0.41 -0.63 120.40 127.29 1y3x s VAL 200 Ca -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1y3x s VAL 200 Cb -0.20 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1y3x s VAL 200 CO -0.06 0.52 -0.01 0.00 0.00 0.00 0.00 175.10 175.55 1y3x n SER 202 N 5.11 -2.08 0.00 0.00 7.64 -1.26 -1.47 113.62 121.55 1y3x n SER 202 Ca -0.08 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1y3x n SER 202 Cb 0.50 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1y3x n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y3x n GLY 203 N -1.60 0.51 3.24 0.23 0.00 -1.26 -5.00 105.19 101.31 1y3x n GLY 203 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1y3x n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3x s LYS 204 N -0.43 1.29 -0.56 1.61 -0.14 -0.54 -4.17 119.74 116.80 1y3x s LYS 204 Ca 0.00 -0.95 -0.28 0.00 -1.36 0.00 0.00 55.97 53.38 1y3x s LYS 204 Cb 0.00 -1.41 0.02 0.00 -1.68 0.00 0.00 37.83 34.76 1y3x s LYS 204 CO 0.00 0.36 1.30 -1.17 -0.76 0.00 0.00 175.35 175.07 1y3x s LEU 209 N -1.28 3.44 -0.02 3.17 2.96 0.02 -0.96 118.68 126.01 1y3x s LEU 209 Ca 0.07 0.24 0.16 0.00 -0.22 0.00 0.00 54.13 54.38 1y3x s LEU 209 Cb -0.09 -3.16 -0.25 0.00 0.50 0.00 0.00 46.19 43.19 1y3x s LEU 209 CO 0.02 -1.57 0.37 0.00 -1.32 0.00 0.00 176.35 173.85 1y3x n GLN 210 N 8.49 0.53 -4.05 1.98 1.13 0.20 -4.18 117.38 121.48 1y3x n GLN 210 Ca 0.11 -0.15 -0.10 0.00 -1.94 0.00 0.00 57.00 54.92 1y3x n GLN 210 Cb 0.49 -1.39 -0.08 0.00 0.11 0.00 0.00 30.24 29.38 1y3x n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1y3x s GLY 211 N -3.86 0.81 -0.06 1.08 0.00 -0.86 -1.13 107.32 103.30 1y3x s GLY 211 Ca -0.06 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1y3x s GLY 211 CO 0.68 -0.99 -0.15 -0.42 0.00 0.00 0.00 173.10 172.22 1y3x s ILE 212 N -4.04 1.32 -0.05 0.90 1.01 -1.11 -1.51 121.20 117.71 1y3x s ILE 212 Ca 0.25 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 1y3x s ILE 212 Cb 0.04 -1.17 -0.07 0.00 0.01 0.00 0.00 42.46 41.27 1y3x s ILE 212 CO 0.06 0.39 1.97 -0.69 0.00 0.00 0.00 174.94 176.67 1y3x s VAL 213 N 0.39 3.13 0.01 2.92 1.01 0.11 -1.76 120.40 126.21 1y3x s VAL 213 Ca -0.11 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1y3x s VAL 213 Cb -0.14 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1y3x s VAL 213 CO 0.04 -0.03 -0.04 -0.24 0.00 0.00 0.00 175.10 174.82 1y3x n SER 214 N 8.56 0.66 -3.18 3.32 2.88 -0.99 -0.85 113.62 124.02 1y3x n SER 214 Ca 0.22 0.09 -0.09 0.00 -1.33 0.00 0.00 58.87 57.76 1y3x n SER 214 Cb 0.42 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1y3x n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1y3x s TRP 215 N -1.61 0.23 0.00 0.66 1.48 -0.66 -4.93 118.94 114.10 1y3x s TRP 215 Ca -0.04 -0.79 0.00 0.00 -1.06 0.00 0.00 56.10 54.22 1y3x s TRP 215 Cb 0.01 0.65 0.00 0.00 -1.16 0.00 0.00 33.47 32.96 1y3x s TRP 215 CO 0.05 -1.42 0.00 0.41 -4.06 0.00 0.00 176.95 171.93 1y3x n GLY 216 N -0.52 0.58 3.08 3.67 0.00 -1.26 -0.65 105.19 110.09 1y3x n GLY 216 Ca -0.06 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1y3x n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y3x s SER 217 N -0.93 4.80 0.90 1.61 0.15 -1.26 -4.99 113.70 113.99 1y3x s SER 217 Ca 0.00 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 54.89 1y3x s SER 217 Cb 0.00 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1y3x s SER 217 CO 0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1y3x n GLY 219 N 4.44 0.79 2.94 9.45 0.00 -1.26 -4.64 105.19 116.90 1y3x n GLY 219 Ca -0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 1y3x n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3x n ALA 221 N 3.29 -0.56 -1.96 0.00 0.00 -1.26 -4.65 120.51 115.36 1y3x n ALA 221 Ca -0.17 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 1y3x n ALA 221 Cb 0.56 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 1y3x n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y3x s GLN 221 N -4.70 4.20 0.44 0.00 -0.21 -1.26 -0.33 119.66 117.80 1y3x s GLN 221 Ca 0.00 0.96 -0.26 0.00 0.02 0.00 0.00 55.36 56.08 1y3x s GLN 221 Cb 0.00 -2.43 -0.08 0.00 1.00 0.00 0.00 33.01 31.50 1y3x s GLN 221 CO 0.00 0.12 1.42 -1.59 -2.12 0.00 0.00 175.29 173.13 1y3x s LYS 222 N -2.83 3.73 -1.99 2.91 -2.85 -1.26 -2.40 119.74 115.06 1y3x s LYS 222 Ca 0.55 2.41 0.00 0.00 -1.00 0.00 0.00 55.97 57.94 1y3x s LYS 222 Cb -0.12 -2.68 0.00 0.00 -2.06 0.00 0.00 37.83 32.97 1y3x s LYS 222 CO 0.17 -0.78 0.00 0.09 0.10 0.00 0.00 175.35 174.93 1y3x n ASN 223 N -0.13 -5.40 -3.51 0.03 3.02 0.30 -4.92 115.26 104.66 1y3x n ASN 223 Ca 0.05 0.46 -0.27 0.00 -0.03 0.00 0.00 54.58 54.79 1y3x n ASN 223 Cb 0.42 -4.64 -0.10 0.00 -0.61 0.00 0.00 39.78 34.84 1y3x n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1y3x n LYS 224 N -2.09 0.72 -1.28 3.52 4.76 -1.01 -4.78 118.16 118.01 1y3x n LYS 224 Ca -0.19 -3.56 -0.29 0.00 -2.87 0.00 0.00 58.31 51.40 1y3x n LYS 224 Cb 0.65 -1.82 0.15 0.00 -1.84 0.00 0.00 35.03 32.18 1y3x n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1y3x s PRO 225 N -0.50 0.90 0.54 1.97 0.04 -1.26 -4.49 135.00 132.20 1y3x s PRO 225 Ca 0.31 0.56 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 1y3x s PRO 225 Cb 0.03 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 1y3x s PRO 225 CO -0.18 -2.42 1.08 0.20 0.04 0.00 0.00 177.00 175.73 1y3x s GLY 226 N -3.60 2.46 -0.07 0.56 0.00 -1.07 -4.63 107.32 100.97 1y3x s GLY 226 Ca 0.64 0.65 0.03 0.00 0.00 0.00 0.00 44.72 46.04 1y3x s GLY 226 CO 0.56 0.99 -0.15 0.14 0.00 0.00 0.00 173.10 174.64 1y3x s VAL 227 N -2.02 2.94 0.01 1.40 1.01 0.17 -2.00 120.40 121.91 1y3x s VAL 227 Ca 0.69 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1y3x s VAL 227 Cb -0.20 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1y3x s VAL 227 CO 0.28 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.52 1y3x s TYR 228 N -0.36 1.02 0.17 5.22 1.51 0.15 -1.65 117.35 123.41 1y3x s TYR 228 Ca 0.04 -0.24 -0.31 0.00 -1.01 0.00 0.00 57.07 55.55 1y3x s TYR 228 Cb -0.12 -0.64 -0.09 0.00 -0.11 0.00 0.00 41.96 40.99 1y3x s TYR 228 CO 0.02 -0.01 1.40 0.99 -1.11 0.00 0.00 175.55 176.85 1y3x s THR 229 N -0.46 3.05 -0.84 -0.71 2.01 -0.72 -1.02 115.64 116.94 1y3x s THR 229 Ca 0.03 0.81 -0.22 0.00 0.31 0.00 0.00 61.69 62.62 1y3x s THR 229 Cb -0.05 -3.52 0.09 0.00 0.01 0.00 0.00 72.50 69.03 1y3x s THR 229 CO 0.00 0.09 1.15 -0.75 -0.69 0.00 0.00 174.62 174.43 1y3x s LYS 230 N 0.46 3.40 0.47 4.92 2.20 -0.26 -2.75 119.74 128.18 1y3x s LYS 230 Ca 0.62 -1.20 0.18 0.00 -0.36 0.00 0.00 55.97 55.21 1y3x s LYS 230 Cb -0.39 -4.72 1.15 0.00 -1.51 0.00 0.00 37.83 32.37 1y3x s LYS 230 CO 0.35 -1.91 2.03 0.28 -0.36 0.00 0.00 175.35 175.74 1y3x h VAL 231 N 6.09 0.97 0.00 4.02 2.07 -1.43 -1.85 116.25 126.12 1y3x h VAL 231 Ca -0.02 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1y3x h VAL 231 Cb 1.04 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1y3x h VAL 231 CO 1.21 0.15 0.00 0.00 0.02 0.00 0.00 177.57 178.95 1y3x n ASN 233 N -2.98 0.11 -0.21 0.00 3.02 -0.69 -3.75 115.26 110.76 1y3x n ASN 233 Ca -0.02 0.51 0.02 0.00 -0.03 0.00 0.00 54.58 55.07 1y3x n ASN 233 Cb 0.14 -0.54 0.05 0.00 -0.61 0.00 0.00 39.78 38.81 1y3x n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1y3x n TYR 234 N -1.61 0.13 -0.20 3.10 4.01 0.09 -4.77 117.16 117.92 1y3x n TYR 234 Ca 0.06 -0.40 -0.07 0.00 -0.16 0.00 0.00 57.90 57.33 1y3x n TYR 234 Cb 0.31 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.33 1y3x n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1y3x h VAL 235 N 0.71 1.19 -0.39 -0.72 2.07 -1.64 0.31 116.25 117.78 1y3x h VAL 235 Ca 0.00 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 1y3x h VAL 235 Cb 0.50 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1y3x h VAL 235 CO 0.00 0.21 -0.15 0.28 0.02 0.00 0.00 177.57 177.94 1y3x h SER 236 N 0.75 0.71 -0.35 0.57 0.02 -1.88 -1.11 113.55 112.25 1y3x h SER 236 Ca 0.19 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1y3x h SER 236 Cb 0.08 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1y3x h SER 236 CO -0.03 0.87 0.14 -0.25 -1.14 0.00 0.00 176.83 176.43 1y3x h TRP 237 N 0.65 0.54 -0.19 3.45 7.01 -1.77 -0.61 115.95 125.04 1y3x h TRP 237 Ca 0.11 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1y3x h TRP 237 Cb 0.61 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 1y3x h TRP 237 CO 0.03 0.50 0.08 0.82 -2.79 0.00 0.00 178.44 177.07 1y3x h ILE 238 N 0.43 0.98 -0.47 2.65 2.04 -0.62 -0.86 117.51 121.65 1y3x h ILE 238 Ca 0.12 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1y3x h ILE 238 Cb 0.18 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1y3x h ILE 238 CO -0.01 0.03 0.24 0.11 0.00 0.00 0.00 178.15 178.52 1y3x h LYS 239 N 0.18 0.67 -0.80 2.37 1.57 -1.01 -0.10 116.57 119.44 1y3x h LYS 239 Ca 0.08 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1y3x h LYS 239 Cb 0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1y3x h LYS 239 CO -0.07 0.56 0.34 1.96 -0.57 0.00 0.00 179.45 181.67 1y3x h GLN 240 N 0.62 1.19 -0.16 3.15 4.20 -0.98 -1.40 115.11 121.73 1y3x h GLN 240 Ca 0.16 -0.21 -0.20 0.00 0.06 0.00 0.00 58.65 58.46 1y3x h GLN 240 Cb 0.10 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1y3x h GLN 240 CO -0.02 0.95 -0.72 1.15 -0.67 0.00 0.00 178.83 179.52 1y3x h THR 241 N 1.16 1.30 -0.29 -0.54 2.02 -0.81 -2.70 112.91 113.06 1y3x h THR 241 Ca 0.27 -1.97 -0.12 0.00 0.77 0.00 0.00 66.41 65.36 1y3x h THR 241 Cb 0.20 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1y3x h THR 241 CO -0.02 0.62 -0.32 0.40 0.37 0.00 0.00 175.52 176.57 1y3x h ILE 242 N 0.49 1.28 0.00 3.11 2.04 -0.91 -2.72 117.51 120.80 1y3x h ILE 242 Ca -0.03 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1y3x h ILE 242 Cb 1.32 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1y3x h ILE 242 CO 0.14 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.75 1y3x h ALA 243 N 1.13 1.00 -0.42 1.87 0.00 -1.06 -2.71 119.26 119.07 1y3x h ALA 243 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y3x h ALA 243 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1y3x h ALA 243 CO 0.07 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1y3x n SER 244 N -2.91 3.20 0.00 0.00 3.41 -1.04 -5.10 113.62 111.18 1y3x n SER 244 Ca 0.02 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1y3x n SER 244 Cb 0.34 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1y3x n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47