#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h8y s SER 21 N 0.00 2.16 -0.05 6.43 0.15 0.10 -4.95 113.70 117.54 1h8y s SER 21 Ca 0.00 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.29 1h8y s SER 21 Cb 0.00 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1h8y s SER 21 CO 0.00 -0.23 -0.14 -0.51 1.20 0.00 0.00 173.24 173.56 1h8y s ILE 22 N 1.90 1.19 -0.11 6.45 2.07 -1.26 -0.91 121.20 130.54 1h8y s ILE 22 Ca 0.03 -0.56 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 1h8y s ILE 22 Cb -0.14 -1.05 0.01 0.00 0.13 0.00 0.00 42.46 41.41 1h8y s ILE 22 CO -0.07 0.36 -0.17 0.28 -1.91 0.00 0.00 174.94 173.43 1h8y s THR 23 N 0.27 1.63 0.24 4.00 -1.32 -0.19 -5.00 115.64 115.27 1h8y s THR 23 Ca -0.07 -0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 59.38 1h8y s THR 23 Cb -0.12 -1.46 -0.09 0.00 -1.51 0.00 0.00 72.50 69.31 1h8y s THR 23 CO 0.02 0.47 1.18 -0.70 -2.21 0.00 0.00 174.62 173.38 1h8y s GLU 24 N 0.86 4.52 0.25 7.08 2.12 -1.26 -1.31 118.70 130.97 1h8y s GLU 24 Ca -0.09 1.90 0.09 0.00 0.36 0.00 0.00 54.97 57.24 1h8y s GLU 24 Cb -0.15 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1h8y s GLU 24 CO -0.00 0.01 0.03 1.21 -0.54 0.00 0.00 175.26 175.96 1h8y s ASN 25 N -0.34 4.71 0.00 -1.70 3.84 0.31 -4.87 114.94 116.89 1h8y s ASN 25 Ca 0.49 -0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.00 1h8y s ASN 25 Cb -0.34 -0.95 0.00 0.00 -0.55 0.00 0.00 41.25 39.42 1h8y s ASN 25 CO 0.41 0.01 0.00 0.35 -2.79 0.00 0.00 177.10 175.07 1h8y n THR 26 N -0.85 0.00 -0.17 -5.21 -2.24 -1.26 -4.53 114.28 100.02 1h8y n THR 26 Ca -0.07 -0.03 0.19 0.00 -2.27 0.00 0.00 64.05 61.87 1h8y n THR 26 Cb 0.58 0.51 0.56 0.00 -2.10 0.00 0.00 70.33 69.89 1h8y n THR 26 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1h8y h SER 27 N 0.00 0.29 -0.01 3.42 4.64 -1.97 -2.15 113.55 117.77 1h8y h SER 27 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1h8y h SER 27 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1h8y h SER 27 CO 0.00 0.13 -0.14 0.79 -0.87 0.00 0.00 176.83 176.74 1h8y n TRP 28 N -4.45 0.00 -0.07 4.77 8.01 -1.26 -4.51 117.44 119.93 1h8y n TRP 28 Ca 0.16 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.41 1h8y n TRP 28 Cb 0.65 -0.01 0.41 0.00 -2.01 0.00 0.00 31.31 30.36 1h8y n TRP 28 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1h8y h ASN 29 N 3.69 0.52 0.64 -0.99 2.35 -1.72 -1.40 115.58 118.67 1h8y h ASN 29 Ca 0.00 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1h8y h ASN 29 Cb 0.86 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1h8y h ASN 29 CO 0.00 0.35 -0.22 0.50 -1.65 0.00 0.00 177.43 176.41 1h8y h LYS 30 N 0.60 0.00 0.00 0.81 1.63 -1.80 -0.79 116.57 117.02 1h8y h LYS 30 Ca 0.22 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1h8y h LYS 30 Cb 0.14 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1h8y h LYS 30 CO -0.06 0.22 -0.16 0.93 -3.45 0.00 0.00 179.45 176.93 1h8y h GLU 31 N 0.00 0.00 0.05 1.90 4.39 -1.57 -0.88 114.58 118.47 1h8y h GLU 31 Ca -0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.38 1h8y h GLU 31 Cb 0.60 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1h8y h GLU 31 CO 0.03 0.16 -1.73 1.19 -1.16 0.00 0.00 179.01 177.50 1h8y n PHE 32 N -3.46 0.96 0.20 4.33 3.01 -0.55 -4.19 117.46 117.76 1h8y n PHE 32 Ca -0.01 0.31 0.08 0.00 1.01 0.00 0.00 57.45 58.85 1h8y n PHE 32 Cb 0.33 -1.11 0.25 0.00 -0.01 0.00 0.00 39.48 38.94 1h8y n PHE 32 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1h8y h SER 33 N -0.55 0.00 -0.42 4.37 4.64 -1.20 0.53 113.55 120.91 1h8y h SER 33 Ca -0.43 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 1h8y h SER 33 Cb 1.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 1h8y h SER 33 CO -0.11 0.25 0.12 0.00 -0.87 0.00 0.00 176.83 176.22 1h8y h ALA 34 N 1.75 1.30 -0.02 5.18 0.00 -1.36 -2.18 119.26 123.92 1h8y h ALA 34 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1h8y h ALA 34 Cb 1.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1h8y h ALA 34 CO 0.03 0.50 -0.02 0.39 0.00 0.00 0.00 179.25 180.15 1h8y n GLU 35 N -4.29 1.97 -2.85 0.00 -0.58 -1.14 -4.96 120.64 108.79 1h8y n GLU 35 Ca 0.03 -1.44 -0.16 0.00 -0.42 0.00 0.00 57.16 55.17 1h8y n GLU 35 Cb 0.21 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1h8y n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h8y n ALA 36 N 0.74 -0.72 -2.75 0.62 0.00 -0.42 -4.99 120.51 113.00 1h8y n ALA 36 Ca 0.16 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 1h8y n ALA 36 Cb 0.48 -3.05 -0.08 0.00 0.00 0.00 0.00 19.45 16.79 1h8y n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1h8y s VAL 37 N -3.02 4.70 -0.42 0.00 -7.23 0.17 -4.99 120.40 109.61 1h8y s VAL 37 Ca 0.24 -0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 1h8y s VAL 37 Cb -0.11 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1h8y s VAL 37 CO 0.30 0.59 0.49 0.20 -0.31 0.00 0.00 175.10 176.36 1h8y s ASN 38 N -1.00 6.23 0.08 4.85 0.01 -1.26 -4.60 114.94 119.25 1h8y s ASN 38 Ca 0.15 -0.55 -0.09 0.00 -0.71 0.00 0.00 52.86 51.66 1h8y s ASN 38 Cb -0.12 -2.25 0.03 0.00 0.41 0.00 0.00 41.25 39.33 1h8y s ASN 38 CO 0.04 -0.62 0.42 0.61 -1.51 0.00 0.00 177.10 176.04 1h8y n GLY 39 N 5.07 1.05 3.01 0.66 0.00 -1.26 -1.04 105.19 112.68 1h8y n GLY 39 Ca -0.06 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1h8y n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8y s VAL 40 N -2.38 0.42 -0.06 1.61 0.11 -0.13 -4.86 120.40 115.11 1h8y s VAL 40 Ca 0.09 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.43 1h8y s VAL 40 Cb -0.01 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1h8y s VAL 40 CO 0.02 -0.23 -0.18 0.12 -3.33 0.00 0.00 175.10 171.50 1h8y s PHE 41 N -0.95 1.82 -0.14 1.54 5.36 -1.26 -1.77 117.98 122.58 1h8y s PHE 41 Ca -0.07 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.33 1h8y s PHE 41 Cb -0.07 -1.24 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 1h8y s PHE 41 CO 0.00 -0.23 -0.20 0.08 -1.46 0.00 0.00 175.22 173.41 1h8y s VAL 42 N 0.20 2.24 -0.10 3.12 1.01 -0.21 -3.22 120.40 123.44 1h8y s VAL 42 Ca -0.08 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1h8y s VAL 42 Cb -0.13 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.37 1h8y s VAL 42 CO 0.04 0.54 -0.03 -0.22 0.00 0.00 0.00 175.10 175.43 1h8y s LEU 43 N 0.71 0.88 -0.12 3.92 2.96 -0.15 -1.73 118.68 125.14 1h8y s LEU 43 Ca -0.09 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1h8y s LEU 43 Cb -0.16 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.92 1h8y s LEU 43 CO 0.01 -0.17 -0.21 0.00 -1.32 0.00 0.00 176.35 174.65 1h8y s LYS 45 N 0.56 3.77 0.00 0.00 2.20 -0.71 -0.74 119.74 124.82 1h8y s LYS 45 Ca -0.13 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1h8y s LYS 45 Cb -0.17 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1h8y s LYS 45 CO 0.04 -0.39 0.00 0.43 -0.36 0.00 0.00 175.35 175.07 1h8y n SER 46 N 5.32 0.00 -3.84 1.43 7.64 0.88 -4.53 113.62 120.51 1h8y n SER 46 Ca -0.10 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.72 1h8y n SER 46 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 1h8y n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h8y s SER 47 N 0.00 -0.25 0.00 6.43 1.04 -1.26 -4.81 113.70 114.85 1h8y s SER 47 Ca 0.00 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1h8y s SER 47 Cb 0.00 0.69 0.24 0.00 0.10 0.00 0.00 66.02 67.06 1h8y s SER 47 CO 0.00 -1.28 0.84 -1.54 0.98 0.00 0.00 173.24 172.24 1h8y n SER 48 N -0.46 0.00 -0.16 7.02 3.41 -1.26 -1.99 113.62 120.18 1h8y n SER 48 Ca -0.04 -1.17 0.14 0.00 -0.26 0.00 0.00 58.87 57.54 1h8y n SER 48 Cb 0.59 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.08 1h8y n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h8y n LYS 49 N -0.60 0.74 -3.23 4.33 5.02 -1.26 -0.73 118.16 122.43 1h8y n LYS 49 Ca 0.03 -0.32 -0.24 0.00 -2.02 0.00 0.00 58.31 55.76 1h8y n LYS 49 Cb 0.01 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.46 1h8y n LYS 49 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h8y n SER 50 N -0.86 0.86 -4.90 4.39 2.88 -0.84 -4.37 113.62 110.78 1h8y n SER 50 Ca 0.14 -2.84 -0.32 0.00 -1.33 0.00 0.00 58.87 54.51 1h8y n SER 50 Cb 0.30 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 63.07 1h8y n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h8y s ALA 52 N -1.51 1.52 0.07 0.00 0.00 0.07 -1.02 121.76 120.89 1h8y s ALA 52 Ca 0.35 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 1h8y s ALA 52 Cb -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1h8y s ALA 52 CO 0.24 0.32 0.20 -0.08 0.00 0.00 0.00 175.76 176.44 1h8y s THR 53 N -0.84 0.13 -0.58 0.00 -1.32 -0.43 -0.98 115.64 111.61 1h8y s THR 53 Ca 0.05 -1.03 0.24 0.00 -1.21 0.00 0.00 61.69 59.74 1h8y s THR 53 Cb -0.08 -1.15 0.13 0.00 -1.51 0.00 0.00 72.50 69.88 1h8y s THR 53 CO 0.02 -0.57 1.42 -0.55 -2.21 0.00 0.00 174.62 172.72 1h8y h ASN 54 N 3.04 0.00 -1.90 8.08 -1.07 -1.78 0.88 115.58 122.83 1h8y h ASN 54 Ca -0.33 -0.11 -0.32 0.00 0.07 0.00 0.00 56.30 55.61 1h8y h ASN 54 Cb 1.20 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 37.14 1h8y h ASN 54 CO 0.52 0.06 -0.64 0.21 0.07 0.00 0.00 177.43 177.65 1h8y s ASN 55 N -4.67 1.02 0.16 6.14 3.04 -1.26 -4.65 114.94 114.71 1h8y s ASN 55 Ca 0.06 -1.22 -0.24 0.00 0.04 0.00 0.00 52.86 51.50 1h8y s ASN 55 Cb 0.12 0.70 0.03 0.00 -1.54 0.00 0.00 41.25 40.56 1h8y s ASN 55 CO 0.70 -0.29 1.60 0.25 -3.04 0.00 0.00 177.10 176.31 1h8y h LEU 56 N 7.44 -1.09 -0.12 3.21 6.46 -1.95 0.69 115.31 129.95 1h8y h LEU 56 Ca -0.00 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1h8y h LEU 56 Cb 1.07 0.49 -0.01 0.00 -0.73 0.00 0.00 40.66 41.49 1h8y h LEU 56 CO 0.23 -0.34 0.08 0.00 -0.62 0.00 0.00 178.44 177.79 1h8y h ALA 57 N 0.63 0.15 0.00 1.25 0.00 -2.00 -2.46 119.26 116.83 1h8y h ALA 57 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1h8y h ALA 57 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1h8y h ALA 57 CO -0.49 -0.35 -0.17 -0.09 0.00 0.00 0.00 179.25 178.15 1h8y h ARG 58 N 0.15 0.00 0.00 0.00 2.43 -1.87 -2.42 114.38 112.66 1h8y h ARG 58 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1h8y h ARG 58 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1h8y h ARG 58 CO -0.01 0.17 -0.04 0.00 -1.51 0.00 0.00 179.97 178.58 1h8y h ALA 59 N 1.83 1.49 -0.02 2.80 0.00 -0.37 -1.84 119.26 123.15 1h8y h ALA 59 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h8y h ALA 59 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1h8y h ALA 59 CO 0.02 0.05 -0.07 0.43 0.00 0.00 0.00 179.25 179.68 1h8y n SER 60 N -3.85 2.18 -4.75 0.00 7.64 -0.95 -1.54 113.62 112.35 1h8y n SER 60 Ca -0.03 -1.59 -0.40 0.00 1.01 0.00 0.00 58.87 57.86 1h8y n SER 60 Cb 0.13 0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1h8y n SER 60 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1h8y s LYS 61 N -1.46 4.80 -0.12 1.43 2.20 -0.69 -4.75 119.74 121.14 1h8y s LYS 61 Ca 0.18 1.57 -0.14 0.00 -0.36 0.00 0.00 55.97 57.21 1h8y s LYS 61 Cb 0.13 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1h8y s LYS 61 CO 0.25 0.44 0.33 -1.21 -0.36 0.00 0.00 175.35 174.80 1h8y s GLU 62 N -1.23 4.14 0.19 4.03 2.02 -1.26 -4.14 118.70 122.46 1h8y s GLU 62 Ca 0.42 0.19 0.06 0.00 0.02 0.00 0.00 54.97 55.66 1h8y s GLU 62 Cb -0.27 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 1h8y s GLU 62 CO 0.34 0.35 -0.12 0.71 0.02 0.00 0.00 175.26 176.57 1h8y s TYR 63 N 0.09 1.57 0.17 1.61 2.02 0.45 -4.68 117.35 118.59 1h8y s TYR 63 Ca 0.19 -0.66 -0.33 0.00 -0.37 0.00 0.00 57.07 55.90 1h8y s TYR 63 Cb -0.14 -0.77 -0.14 0.00 -0.40 0.00 0.00 41.96 40.50 1h8y s TYR 63 CO 0.07 0.24 1.42 1.28 -1.57 0.00 0.00 175.55 176.99 1h8y n LEU 64 N -0.34 2.61 0.21 -1.29 4.77 -1.26 -0.78 117.00 120.91 1h8y n LEU 64 Ca -0.08 1.12 0.07 0.00 -0.03 0.00 0.00 56.01 57.09 1h8y n LEU 64 Cb 0.61 -1.35 0.44 0.00 -2.33 0.00 0.00 43.42 40.79 1h8y n LEU 64 CO 0.34 -0.64 0.77 1.55 -1.33 0.00 0.00 177.39 178.08 1h8y h PRO 65 N 4.76 0.00 0.00 3.23 0.13 -1.75 -3.47 132.00 134.90 1h8y h PRO 65 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1h8y h PRO 65 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1h8y h PRO 65 CO 0.80 0.30 0.00 0.00 -0.23 0.00 0.00 178.00 178.87 1h8y n ALA 66 N -2.31 0.00 0.62 -0.56 0.00 -1.01 -1.96 120.51 115.30 1h8y n ALA 66 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1h8y n ALA 66 Cb 0.42 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.30 1h8y n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1h8y n SER 67 N 3.22 0.18 0.07 0.00 7.64 -1.26 -1.69 113.62 121.78 1h8y n SER 67 Ca 0.00 0.53 0.08 0.00 1.01 0.00 0.00 58.87 60.49 1h8y n SER 67 Cb 0.00 -0.58 0.35 0.00 -1.01 0.00 0.00 64.21 62.98 1h8y n SER 67 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1h8y n THR 68 N -1.69 1.19 1.06 0.44 -2.24 -0.83 -1.22 114.28 111.00 1h8y n THR 68 Ca 0.04 0.41 0.11 0.00 -2.27 0.00 0.00 64.05 62.35 1h8y n THR 68 Cb 0.24 -1.33 0.57 0.00 -2.10 0.00 0.00 70.33 67.72 1h8y n THR 68 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1h8y n PHE 69 N -1.88 0.00 0.33 4.78 7.35 -0.68 -2.53 117.46 124.83 1h8y n PHE 69 Ca 0.01 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.85 1h8y n PHE 69 Cb 0.12 -0.31 0.62 0.00 0.35 0.00 0.00 39.48 40.26 1h8y n PHE 69 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1h8y h LYS 70 N 0.00 0.00 -0.02 -4.13 1.57 -1.38 -2.32 116.57 110.29 1h8y h LYS 70 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1h8y h LYS 70 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1h8y h LYS 70 CO 0.00 0.00 -0.10 0.82 -0.57 0.00 0.00 179.45 179.60 1h8y h ILE 71 N 0.00 1.52 -0.45 1.86 2.04 -1.72 -0.08 117.51 120.68 1h8y h ILE 71 Ca 0.00 -1.67 -0.14 0.00 1.00 0.00 0.00 64.86 64.05 1h8y h ILE 71 Cb 0.36 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1h8y h ILE 71 CO 0.00 0.45 -0.29 1.55 0.00 0.00 0.00 178.15 179.86 1h8y h PRO 72 N -0.54 0.98 0.00 2.37 0.13 -1.77 -3.03 132.00 130.14 1h8y h PRO 72 Ca -0.01 -0.46 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1h8y h PRO 72 Cb 0.78 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1h8y h PRO 72 CO 0.02 1.13 -0.29 1.03 -0.23 0.00 0.00 178.00 179.66 1h8y h SER 73 N 0.82 0.00 0.35 1.44 0.87 -1.41 0.13 113.55 115.75 1h8y h SER 73 Ca 0.09 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.42 1h8y h SER 73 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1h8y h SER 73 CO 0.08 0.29 -0.96 0.00 -0.53 0.00 0.00 176.83 175.71 1h8y h ALA 74 N 1.71 0.35 -0.65 6.23 0.00 -1.05 0.15 119.26 126.00 1h8y h ALA 74 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1h8y h ALA 74 Cb 0.57 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1h8y h ALA 74 CO 0.04 0.82 0.41 0.82 0.00 0.00 0.00 179.25 181.34 1h8y h ILE 75 N 0.22 1.18 -0.28 0.00 2.04 -1.36 -0.79 117.51 118.52 1h8y h ILE 75 Ca -0.08 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1h8y h ILE 75 Cb 1.60 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1h8y h ILE 75 CO 0.17 0.18 -0.17 0.40 0.00 0.00 0.00 178.15 178.72 1h8y h ILE 76 N 0.87 1.30 -0.61 -0.67 2.04 -0.74 0.34 117.51 120.05 1h8y h ILE 76 Ca 0.23 -1.29 0.11 0.00 1.00 0.00 0.00 64.86 64.91 1h8y h ILE 76 Cb -0.06 1.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.45 1h8y h ILE 76 CO -0.05 0.41 0.14 1.23 0.00 0.00 0.00 178.15 179.88 1h8y h GLY 77 N 0.36 0.79 1.09 5.37 0.00 -0.54 0.22 103.07 110.35 1h8y h GLY 77 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1h8y h GLY 77 CO 0.05 -0.11 -0.27 1.41 0.00 0.00 0.00 176.54 177.62 1h8y h LEU 78 N 0.27 0.96 -0.75 3.11 3.38 -0.72 -0.61 115.31 120.95 1h8y h LEU 78 Ca 0.32 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1h8y h LEU 78 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1h8y h LEU 78 CO -0.40 1.18 -0.40 -0.08 0.09 0.00 0.00 178.44 178.84 1h8y h GLU 79 N 0.75 0.48 0.00 1.13 4.57 -0.11 -2.21 114.58 119.18 1h8y h GLU 79 Ca 0.08 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1h8y h GLU 79 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1h8y h GLU 79 CO 0.08 0.80 -0.04 0.25 -1.18 0.00 0.00 179.01 178.91 1h8y n THR 80 N -4.03 0.23 -0.14 0.32 -2.24 -0.01 -4.91 114.28 103.50 1h8y n THR 80 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1h8y n THR 80 Cb 0.50 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1h8y n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h8y n GLY 81 N 1.42 0.80 0.31 3.38 0.00 -0.83 -4.90 105.19 105.37 1h8y n GLY 81 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1h8y n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h8y h VAL 82 N 0.00 1.22 -3.65 1.61 2.07 -1.61 -3.35 116.25 112.55 1h8y h VAL 82 Ca 0.00 -0.76 -0.68 0.00 0.82 0.00 0.00 66.70 66.08 1h8y h VAL 82 Cb 0.00 0.59 -0.19 0.00 -1.52 0.00 0.00 31.29 30.17 1h8y h VAL 82 CO 0.00 0.29 -0.38 -0.63 0.02 0.00 0.00 177.57 176.87 1h8y s ILE 83 N -5.30 5.22 0.19 4.57 1.01 -0.31 -4.98 121.20 121.59 1h8y s ILE 83 Ca -0.10 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 1h8y s ILE 83 Cb 0.16 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.91 1h8y s ILE 83 CO 0.80 -0.12 1.82 0.50 0.00 0.00 0.00 174.94 177.94 1h8y h LYS 84 N 8.52 0.67 0.00 2.79 3.64 -1.88 -3.39 116.57 126.92 1h8y h LYS 84 Ca -0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1h8y h LYS 84 Cb 1.14 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1h8y h LYS 84 CO 0.68 0.44 0.00 0.27 -2.27 0.00 0.00 179.45 178.58 1h8y n ASN 85 N -4.76 0.00 0.21 4.20 0.23 -1.26 -4.99 115.26 108.89 1h8y n ASN 85 Ca 0.05 -0.68 0.14 0.00 -0.53 0.00 0.00 54.58 53.57 1h8y n ASN 85 Cb 0.09 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.32 1h8y n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1h8y h GLU 86 N 0.00 0.00 -0.01 -3.83 9.09 -1.98 -2.19 114.58 115.67 1h8y h GLU 86 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1h8y h GLU 86 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1h8y h GLU 86 CO 0.00 0.00 -0.02 0.72 0.05 0.00 0.00 179.01 179.76 1h8y n HIS 87 N -2.74 0.00 -1.61 2.06 8.25 -1.26 -4.67 115.22 115.26 1h8y n HIS 87 Ca 0.02 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.02 1h8y n HIS 87 Cb 0.32 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1h8y n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1h8y n GLN 88 N -0.66 1.47 -4.25 -0.41 -0.06 -0.83 -4.97 117.38 107.67 1h8y n GLN 88 Ca 0.20 0.52 -0.35 0.00 -2.00 0.00 0.00 57.00 55.38 1h8y n GLN 88 Cb 0.22 -2.03 -0.10 0.00 -4.06 0.00 0.00 30.24 24.27 1h8y n GLN 88 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1h8y s VAL 89 N -0.44 4.42 -0.53 1.69 1.01 -1.26 -3.84 120.40 121.45 1h8y s VAL 89 Ca 0.67 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 1h8y s VAL 89 Cb -0.75 -2.92 0.12 0.00 0.00 0.00 0.00 36.38 32.84 1h8y s VAL 89 CO 0.54 0.54 0.47 -0.36 0.00 0.00 0.00 175.10 176.30 1h8y s PHE 90 N -0.30 3.27 0.09 5.22 0.08 0.24 -4.93 117.98 121.66 1h8y s PHE 90 Ca 0.07 -1.32 -0.30 0.00 0.12 0.00 0.00 56.93 55.50 1h8y s PHE 90 Cb -0.12 -3.70 -0.05 0.00 -0.57 0.00 0.00 43.02 38.57 1h8y s PHE 90 CO 0.02 -0.99 1.00 0.15 -0.10 0.00 0.00 175.22 175.29 1h8y s LYS 91 N 1.58 4.64 0.02 0.44 3.01 -1.26 -1.14 119.74 127.03 1h8y s LYS 91 Ca 0.03 1.50 -0.30 0.00 -1.01 0.00 0.00 55.97 56.19 1h8y s LYS 91 Cb -0.29 -3.38 -0.04 0.00 -1.01 0.00 0.00 37.83 33.11 1h8y s LYS 91 CO 0.03 0.11 1.09 -0.46 0.51 0.00 0.00 175.35 176.63 1h8y s TRP 92 N 0.24 3.53 0.37 3.18 -0.00 -1.26 -4.90 118.94 120.10 1h8y s TRP 92 Ca 0.49 1.50 0.15 0.00 -0.00 0.00 0.00 56.10 58.23 1h8y s TRP 92 Cb -0.24 -3.27 0.80 0.00 -0.00 0.00 0.00 33.47 30.77 1h8y s TRP 92 CO 0.30 -0.63 1.85 0.38 -0.00 0.00 0.00 176.95 178.85 1h8y h ASP 93 N 6.86 0.00 0.00 5.86 3.04 -1.95 -3.47 116.42 126.76 1h8y h ASP 93 Ca -0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 1h8y h ASP 93 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1h8y h ASP 93 CO 0.79 0.34 0.00 0.61 -2.04 0.00 0.00 179.24 178.94 1h8y n GLY 94 N -0.47 0.78 3.68 7.15 0.00 -1.26 -5.08 105.19 110.00 1h8y n GLY 94 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1h8y n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8y s LYS 95 N -0.46 4.31 -0.26 1.61 1.02 -1.26 -4.92 119.74 119.78 1h8y s LYS 95 Ca 0.00 1.72 -0.42 0.00 0.02 0.00 0.00 55.97 57.30 1h8y s LYS 95 Cb 0.00 -3.62 -0.18 0.00 -0.52 0.00 0.00 37.83 33.51 1h8y s LYS 95 CO 0.00 -0.54 1.53 -2.30 -0.92 0.00 0.00 175.35 173.12 1h8y n PRO 96 N 5.63 0.59 -3.99 -1.68 -0.02 -1.26 -4.94 135.00 129.33 1h8y n PRO 96 Ca 0.12 0.21 -0.24 0.00 -2.02 0.00 0.00 63.50 61.58 1h8y n PRO 96 Cb 0.45 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1h8y n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1h8y s ARG 97 N 2.36 3.33 0.57 -0.52 3.00 -1.26 -5.00 118.95 121.44 1h8y s ARG 97 Ca 0.97 -0.74 0.34 0.00 0.00 0.00 0.00 55.73 56.31 1h8y s ARG 97 Cb -1.23 -2.86 1.72 0.00 0.00 0.00 0.00 34.95 32.58 1h8y s ARG 97 CO 0.67 0.47 2.14 0.00 0.00 0.00 0.00 175.30 178.57 1h8y h ALA 98 N 1.69 1.12 -3.90 2.13 0.00 -1.98 -3.41 119.26 114.91 1h8y h ALA 98 Ca -0.50 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 1h8y h ALA 98 Cb 1.21 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 1h8y h ALA 98 CO 0.64 0.06 -0.84 -1.64 0.00 0.00 0.00 179.25 177.47 1h8y s MET 99 N -4.03 1.85 0.41 0.00 -1.94 -1.26 -5.03 119.30 109.31 1h8y s MET 99 Ca -0.02 -0.63 0.12 0.00 -1.71 0.00 0.00 55.69 53.45 1h8y s MET 99 Cb 0.12 -1.60 0.87 0.00 2.01 0.00 0.00 34.83 36.23 1h8y s MET 99 CO 0.52 0.25 1.93 -0.22 -0.01 0.00 0.00 175.02 177.49 1h8y h LYS 100 N 6.25 0.07 0.00 2.03 3.64 -2.00 0.23 116.57 126.80 1h8y h LYS 100 Ca -0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1h8y h LYS 100 Cb 1.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1h8y h LYS 100 CO 0.48 0.29 0.02 -0.56 -2.27 0.00 0.00 179.45 177.40 1h8y h GLN 101 N 0.07 0.00 -0.01 1.90 3.07 -1.96 0.29 115.11 118.46 1h8y h GLN 101 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1h8y h GLN 101 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1h8y h GLN 101 CO 0.03 0.00 -0.08 0.91 0.09 0.00 0.00 178.83 179.78 1h8y n TRP 102 N -2.75 0.00 -2.19 0.06 8.01 0.82 -4.64 117.44 116.76 1h8y n TRP 102 Ca -0.02 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.78 1h8y n TRP 102 Cb 0.08 -0.04 0.01 0.00 -2.01 0.00 0.00 31.31 29.35 1h8y n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1h8y n GLU 103 N -0.05 4.33 -3.64 -0.99 1.02 0.10 -4.85 120.64 116.57 1h8y n GLU 103 Ca 0.17 -3.84 -0.04 0.00 -0.02 0.00 0.00 57.16 53.42 1h8y n GLU 103 Cb 0.36 -2.43 -0.01 0.00 -0.02 0.00 0.00 31.44 29.33 1h8y n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1h8y s ARG 104 N -3.13 0.87 0.31 3.49 1.70 -1.26 -5.02 118.95 115.91 1h8y s ARG 104 Ca 0.48 -0.43 -0.29 0.00 -0.47 0.00 0.00 55.73 55.02 1h8y s ARG 104 Cb 0.26 0.34 -0.11 0.00 -0.57 0.00 0.00 34.95 34.87 1h8y s ARG 104 CO -0.19 -0.39 1.45 -0.51 -1.08 0.00 0.00 175.30 174.58 1h8y s ASP 105 N -2.72 6.55 0.06 -2.89 1.01 -1.26 -4.01 116.67 113.39 1h8y s ASP 105 Ca 0.10 2.82 0.06 0.00 0.71 0.00 0.00 52.55 56.24 1h8y s ASP 105 Cb -0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1h8y s ASP 105 CO -0.03 -0.75 -0.18 -0.76 0.21 0.00 0.00 175.17 173.66 1h8y s LEU 106 N -1.11 2.20 0.94 1.23 1.43 -0.29 -4.94 118.68 118.14 1h8y s LEU 106 Ca 0.56 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 1h8y s LEU 106 Cb -0.44 -0.79 0.18 0.00 0.03 0.00 0.00 46.19 45.17 1h8y s LEU 106 CO 0.51 0.08 1.30 -0.94 0.23 0.00 0.00 176.35 177.53 1h8y s SER 107 N -1.36 3.33 0.09 2.29 1.04 -1.26 0.82 113.70 118.64 1h8y s SER 107 Ca 0.04 0.33 -0.20 0.00 0.48 0.00 0.00 55.95 56.60 1h8y s SER 107 Cb -0.09 -0.44 -0.09 0.00 0.10 0.00 0.00 66.02 65.50 1h8y s SER 107 CO 0.02 -2.61 1.60 0.25 0.98 0.00 0.00 173.24 173.49 1h8y h LEU 108 N -1.54 0.27 -0.87 2.42 5.85 -1.83 0.32 115.31 119.93 1h8y h LEU 108 Ca -0.44 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1h8y h LEU 108 Cb 1.25 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1h8y h LEU 108 CO 0.42 0.39 0.57 -0.09 -0.34 0.00 0.00 178.44 179.39 1h8y h ARG 109 N 0.14 1.14 -0.57 1.25 2.43 -1.93 -0.80 114.38 116.05 1h8y h ARG 109 Ca 0.06 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1h8y h ARG 109 Cb 0.21 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1h8y h ARG 109 CO -0.00 0.75 0.10 0.78 -1.51 0.00 0.00 179.97 180.09 1h8y h GLY 110 N 1.17 1.01 1.83 2.80 0.00 -1.76 -0.70 103.07 107.42 1h8y h GLY 110 Ca 0.32 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1h8y h GLY 110 CO -0.07 0.62 -0.37 0.00 0.00 0.00 0.00 176.54 176.71 1h8y h ALA 111 N 1.00 1.20 -0.17 3.60 0.00 0.01 -2.60 119.26 122.31 1h8y h ALA 111 Ca 0.17 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1h8y h ALA 111 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1h8y h ALA 111 CO 0.01 0.54 -0.19 0.82 0.00 0.00 0.00 179.25 180.44 1h8y h ILE 112 N 0.16 1.34 -0.62 0.00 2.04 -1.04 -1.85 117.51 117.54 1h8y h ILE 112 Ca 0.02 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 1h8y h ILE 112 Cb 0.74 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1h8y h ILE 112 CO 0.06 0.41 0.36 1.56 0.00 0.00 0.00 178.15 180.53 1h8y h GLN 113 N 0.09 0.86 -0.54 2.37 1.08 -0.82 -2.66 115.11 115.49 1h8y h GLN 113 Ca 0.03 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1h8y h GLN 113 Cb 0.73 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1h8y h GLN 113 CO 0.05 0.63 0.00 1.33 -0.95 0.00 0.00 178.83 179.89 1h8y n VAL 114 N -4.58 2.25 -4.06 -0.54 0.24 -1.01 -4.94 118.33 105.69 1h8y n VAL 114 Ca 0.04 -1.39 -0.44 0.00 -2.04 0.00 0.00 64.34 60.51 1h8y n VAL 114 Cb 0.07 -0.08 0.02 0.00 -1.47 0.00 0.00 33.84 32.38 1h8y n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1h8y n SER 115 N 0.62 -3.91 -4.55 -1.34 7.64 -1.00 -4.73 113.62 106.33 1h8y n SER 115 Ca 0.25 -1.23 -0.32 0.00 1.01 0.00 0.00 58.87 58.58 1h8y n SER 115 Cb 0.99 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 1h8y n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h8y s ALA 116 N -3.57 1.81 0.11 -0.43 0.00 -0.71 -4.85 121.76 114.13 1h8y s ALA 116 Ca 0.45 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 51.21 1h8y s ALA 116 Cb -0.25 -4.43 -0.07 0.00 0.00 0.00 0.00 23.12 18.37 1h8y s ALA 116 CO 0.92 -4.47 1.67 0.28 0.00 0.00 0.00 175.76 174.16 1h8y h VAL 117 N 7.16 0.58 -0.36 0.00 2.07 -1.90 -1.67 116.25 122.13 1h8y h VAL 117 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1h8y h VAL 117 Cb 1.10 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1h8y h VAL 117 CO 1.19 0.00 0.22 1.55 0.02 0.00 0.00 177.57 180.56 1h8y h PRO 118 N -0.30 0.48 0.27 1.57 0.13 -1.98 0.16 132.00 132.33 1h8y h PRO 118 Ca 0.05 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1h8y h PRO 118 Cb 0.36 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1h8y h PRO 118 CO -0.15 0.33 -0.13 0.28 -0.23 0.00 0.00 178.00 178.11 1h8y h VAL 119 N 0.49 0.77 0.00 1.56 2.07 -1.80 -1.98 116.25 117.35 1h8y h VAL 119 Ca 0.13 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1h8y h VAL 119 Cb -0.03 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1h8y h VAL 119 CO -0.03 0.05 -0.14 -0.26 0.02 0.00 0.00 177.57 177.22 1h8y h PHE 120 N -0.48 0.00 -0.61 1.57 -1.00 -1.03 -2.09 116.94 113.29 1h8y h PHE 120 Ca -0.04 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 1h8y h PHE 120 Cb 0.36 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1h8y h PHE 120 CO -0.03 0.14 0.18 1.96 -1.61 0.00 0.00 178.31 178.95 1h8y h GLN 121 N 0.00 0.96 -0.48 1.51 4.20 -0.47 -1.02 115.11 119.81 1h8y h GLN 121 Ca -0.00 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1h8y h GLN 121 Cb 0.75 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1h8y h GLN 121 CO 0.02 0.86 -0.12 0.37 -0.67 0.00 0.00 178.83 179.29 1h8y h GLN 122 N 0.88 0.89 -0.62 1.46 5.75 -1.17 -1.51 115.11 120.81 1h8y h GLN 122 Ca 0.20 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1h8y h GLN 122 Cb 0.31 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1h8y h GLN 122 CO -0.00 0.97 0.40 0.82 -2.65 0.00 0.00 178.83 178.36 1h8y h ILE 123 N 0.80 1.17 -0.68 2.39 2.04 -1.27 -0.98 117.51 120.97 1h8y h ILE 123 Ca 0.13 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1h8y h ILE 123 Cb 0.65 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1h8y h ILE 123 CO 0.05 0.17 0.16 0.00 0.00 0.00 0.00 178.15 178.53 1h8y h ALA 124 N 1.21 0.90 -0.50 1.87 0.00 -0.68 -0.17 119.26 121.90 1h8y h ALA 124 Ca 0.22 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1h8y h ALA 124 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1h8y h ALA 124 CO -0.05 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.90 1h8y h ARG 125 N 1.03 0.78 -0.20 0.00 3.08 -1.00 0.11 114.38 118.19 1h8y h ARG 125 Ca 0.21 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 1h8y h ARG 125 Cb 0.37 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1h8y h ARG 125 CO 0.00 0.74 -0.51 0.93 -1.07 0.00 0.00 179.97 180.06 1h8y h GLU 126 N 0.75 0.57 -0.01 0.04 5.08 -0.94 -2.96 114.58 117.11 1h8y h GLU 126 Ca 0.16 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1h8y h GLU 126 Cb 0.35 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1h8y h GLU 126 CO 0.01 0.94 0.00 0.28 -1.00 0.00 0.00 179.01 179.24 1h8y h VAL 127 N 0.44 1.11 0.00 3.13 2.07 -0.71 -3.50 116.25 118.79 1h8y h VAL 127 Ca 0.02 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1h8y h VAL 127 Cb 1.05 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1h8y h VAL 127 CO 0.10 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1h8y n GLY 128 N -0.72 -0.94 0.22 2.17 0.00 0.37 -4.43 105.19 101.85 1h8y n GLY 128 Ca -0.07 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1h8y n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h8y h GLU 129 N 0.00 -0.17 0.57 1.61 4.57 -1.88 -1.77 114.58 117.51 1h8y h GLU 129 Ca 0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1h8y h GLU 129 Cb 0.00 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1h8y h GLU 129 CO 0.00 -0.11 -0.33 0.28 -1.18 0.00 0.00 179.01 177.67 1h8y h VAL 130 N -0.17 0.32 -0.99 0.32 2.07 -1.99 -0.45 116.25 115.36 1h8y h VAL 130 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 1h8y h VAL 130 Cb 0.36 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1h8y h VAL 130 CO -0.32 0.00 0.65 0.03 0.02 0.00 0.00 177.57 177.95 1h8y h ARG 131 N -0.85 1.29 -0.13 1.57 3.08 -1.77 -2.09 114.38 115.48 1h8y h ARG 131 Ca -0.07 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1h8y h ARG 131 Cb 0.68 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1h8y h ARG 131 CO 0.09 0.85 0.08 1.98 -1.07 0.00 0.00 179.97 181.90 1h8y h MET 132 N 1.33 0.18 -0.33 0.04 4.05 -1.05 0.90 114.93 120.04 1h8y h MET 132 Ca 0.36 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.83 1h8y h MET 132 Cb -0.14 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.57 1h8y h MET 132 CO -0.08 0.14 0.01 0.37 0.23 0.00 0.00 176.91 177.58 1h8y h GLN 133 N 0.16 0.10 -0.26 0.39 5.75 -0.99 -1.33 115.11 118.94 1h8y h GLN 133 Ca 0.05 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 1h8y h GLN 133 Cb 0.01 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 1h8y h GLN 133 CO -0.01 0.07 -0.03 -0.22 -2.65 0.00 0.00 178.83 175.99 1h8y h LYS 134 N 0.11 0.04 -0.18 1.69 3.64 -0.97 -1.88 116.57 119.01 1h8y h LYS 134 Ca 0.16 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1h8y h LYS 134 Cb 0.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1h8y h LYS 134 CO -0.26 0.03 -0.31 1.88 -2.27 0.00 0.00 179.45 178.52 1h8y h TYR 135 N 0.04 0.41 -0.05 1.91 0.05 -0.58 -2.39 116.97 116.36 1h8y h TYR 135 Ca 0.12 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 58.71 1h8y h TYR 135 Cb 0.17 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1h8y h TYR 135 CO -0.23 0.64 -0.42 -0.07 -1.05 0.00 0.00 178.16 177.04 1h8y h LEU 136 N 0.32 0.11 -0.46 3.88 3.38 -0.99 -0.81 115.31 120.74 1h8y h LEU 136 Ca 0.04 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1h8y h LEU 136 Cb 0.70 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1h8y h LEU 136 CO 0.05 0.52 -0.24 0.50 0.09 0.00 0.00 178.44 179.37 1h8y h LYS 137 N 0.09 0.97 -0.38 1.13 3.64 -1.20 -1.75 116.57 119.07 1h8y h LYS 137 Ca 0.01 -0.43 -0.09 0.00 -1.27 0.00 0.00 60.65 58.86 1h8y h LYS 137 Cb 0.78 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1h8y h LYS 137 CO 0.06 1.10 -0.15 0.87 -2.27 0.00 0.00 179.45 179.06 1h8y h LYS 138 N 0.82 0.69 -0.01 1.90 1.57 -1.12 -1.96 116.57 118.46 1h8y h LYS 138 Ca 0.10 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1h8y h LYS 138 Cb 0.82 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1h8y h LYS 138 CO 0.07 0.80 -0.06 1.19 -0.57 0.00 0.00 179.45 180.89 1h8y n PHE 139 N -4.16 0.00 -4.05 -1.35 3.72 -0.34 -4.73 117.46 106.56 1h8y n PHE 139 Ca 0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 1h8y n PHE 139 Cb 0.37 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.81 1h8y n PHE 139 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1h8y n SER 140 N -0.70 -2.45 -4.52 4.37 7.64 -0.74 -4.87 113.62 112.35 1h8y n SER 140 Ca 0.18 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.69 1h8y n SER 140 Cb 0.25 -3.14 -0.03 0.00 -1.01 0.00 0.00 64.21 60.28 1h8y n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1h8y s TYR 141 N -3.55 2.42 0.00 1.43 5.04 -0.73 -4.96 117.35 117.01 1h8y s TYR 141 Ca 0.43 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1h8y s TYR 141 Cb -0.23 -4.53 0.00 0.00 0.35 0.00 0.00 41.96 37.55 1h8y s TYR 141 CO 0.89 -1.94 0.00 0.41 -1.34 0.00 0.00 175.55 173.57 1h8y n GLY 142 N 5.47 0.94 0.00 8.97 0.00 -1.26 -2.37 105.19 116.94 1h8y n GLY 142 Ca 0.03 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.53 1h8y n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h8y n ASN 143 N -2.74 0.00 -2.31 1.61 0.23 -0.40 -4.89 115.26 106.76 1h8y n ASN 143 Ca 0.00 -0.14 -0.19 0.00 -0.53 0.00 0.00 54.58 53.73 1h8y n ASN 143 Cb 0.00 -0.24 -0.02 0.00 -2.08 0.00 0.00 39.78 37.45 1h8y n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h8y n GLN 144 N -1.24 -1.79 -3.40 -3.83 6.02 -1.00 -4.91 117.38 107.25 1h8y n GLN 144 Ca 0.11 0.92 -0.43 0.00 -0.01 0.00 0.00 57.00 57.59 1h8y n GLN 144 Cb 0.15 -5.54 -0.09 0.00 1.02 0.00 0.00 30.24 25.79 1h8y n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1h8y s ASN 145 N -2.10 6.14 -0.24 1.08 3.04 -1.26 -4.91 114.94 116.69 1h8y s ASN 145 Ca 0.00 -0.92 0.13 0.00 0.04 0.00 0.00 52.86 52.11 1h8y s ASN 145 Cb 0.00 -2.19 0.57 0.00 -1.54 0.00 0.00 41.25 38.09 1h8y s ASN 145 CO 0.00 -0.54 1.52 2.30 -3.04 0.00 0.00 177.10 177.34 1h8y n ILE 146 N 5.26 2.50 -1.67 -5.21 -5.35 -1.26 -1.88 119.36 111.75 1h8y n ILE 146 Ca -0.10 -2.05 -0.29 0.00 -0.27 0.00 0.00 62.75 60.03 1h8y n ILE 146 Cb 0.46 -0.30 0.13 0.00 -1.74 0.00 0.00 39.64 38.20 1h8y n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1h8y s SER 147 N -1.90 3.60 0.00 7.28 1.04 -1.26 -4.24 113.70 118.22 1h8y s SER 147 Ca 0.46 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1h8y s SER 147 Cb 0.38 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 65.25 1h8y s SER 147 CO 0.08 -2.48 0.00 0.61 0.98 0.00 0.00 173.24 172.43 1h8y n GLY 148 N -2.69 0.93 0.00 7.32 0.00 -1.26 -3.84 105.19 105.65 1h8y n GLY 148 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1h8y n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h8y n GLY 149 N -2.11 3.06 0.25 -0.02 0.00 -1.26 -4.53 105.19 100.58 1h8y n GLY 149 Ca 0.00 -1.23 0.11 0.00 0.00 0.00 0.00 46.02 44.90 1h8y n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h8y h ILE 150 N 0.00 0.74 -0.38 -0.61 6.09 -1.93 -1.92 117.51 119.49 1h8y h ILE 150 Ca 0.00 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1h8y h ILE 150 Cb 0.00 1.31 0.00 0.00 0.47 0.00 0.00 36.82 38.60 1h8y h ILE 150 CO 0.00 0.13 0.00 -0.90 -3.07 0.00 0.00 178.15 174.31 1h8y n ASP 151 N -3.87 3.89 0.00 2.19 5.68 -1.26 -4.51 116.55 118.67 1h8y n ASP 151 Ca -0.02 -2.60 0.00 0.00 -0.50 0.00 0.00 54.79 51.66 1h8y n ASP 151 Cb 0.23 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1h8y n ASP 151 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1h8y n LYS 152 N 0.17 1.68 0.28 0.11 5.02 -0.80 -4.79 118.16 119.83 1h8y n LYS 152 Ca 0.20 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1h8y n LYS 152 Cb 0.77 -0.25 0.78 0.00 -0.02 0.00 0.00 35.03 36.31 1h8y n LYS 152 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1h8y h PHE 153 N 0.00 0.00 -0.00 2.13 -5.15 -1.61 0.13 116.94 112.44 1h8y h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1h8y h PHE 153 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.24 1h8y h PHE 153 CO 0.00 0.05 -0.57 -2.67 -2.00 0.00 0.00 178.31 173.12 1h8y n TRP 154 N -3.99 0.00 -0.09 6.09 2.14 -1.26 -2.52 117.44 117.80 1h8y n TRP 154 Ca -0.03 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.42 1h8y n TRP 154 Cb 0.13 -0.17 -0.09 0.00 -0.81 0.00 0.00 31.31 30.37 1h8y n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1h8y n LEU 155 N -1.33 2.67 0.00 5.67 4.77 -0.87 -2.39 117.00 125.52 1h8y n LEU 155 Ca 0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1h8y n LEU 155 Cb 0.34 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1h8y n LEU 155 CO 0.35 0.76 0.05 -0.62 -1.33 0.00 0.00 177.39 176.61 1h8y n GLU 156 N -2.99 -0.15 0.00 3.23 1.02 -0.02 -4.96 120.64 116.77 1h8y n GLU 156 Ca -0.32 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 1h8y n GLU 156 Cb 0.86 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 1h8y n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h8y n GLY 157 N -0.00 2.41 0.97 0.62 0.00 -1.05 -4.95 105.19 103.18 1h8y n GLY 157 Ca 0.00 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1h8y n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h8y n GLN 158 N 0.00 2.30 -2.12 1.61 1.13 -1.24 -4.91 117.38 114.15 1h8y n GLN 158 Ca 0.00 -1.93 -0.41 0.00 -1.94 0.00 0.00 57.00 52.72 1h8y n GLN 158 Cb 0.00 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 1h8y n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1h8y s LEU 159 N -1.78 4.41 0.01 1.08 2.96 -0.79 -4.69 118.68 119.88 1h8y s LEU 159 Ca 0.33 2.55 -0.01 0.00 -0.22 0.00 0.00 54.13 56.78 1h8y s LEU 159 Cb 0.21 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 1h8y s LEU 159 CO 0.31 -0.60 0.01 -0.13 -1.32 0.00 0.00 176.35 174.61 1h8y s ARG 160 N -0.44 0.26 0.00 1.98 1.81 -1.26 -4.13 118.95 117.17 1h8y s ARG 160 Ca 0.57 -0.42 -0.10 0.00 -1.72 0.00 0.00 55.73 54.06 1h8y s ARG 160 Cb -0.39 0.10 0.01 0.00 -0.45 0.00 0.00 34.95 34.21 1h8y s ARG 160 CO 0.42 -0.05 0.20 -1.50 -0.68 0.00 0.00 175.30 173.69 1h8y s ILE 161 N -1.08 0.08 0.43 1.52 2.07 0.04 -1.28 121.20 122.98 1h8y s ILE 161 Ca -0.12 -0.65 0.06 0.00 -1.41 0.00 0.00 60.65 58.53 1h8y s ILE 161 Cb -0.07 -0.55 0.01 0.00 0.13 0.00 0.00 42.46 41.98 1h8y s ILE 161 CO -0.00 -0.36 0.60 -0.94 -1.91 0.00 0.00 174.94 172.33 1h8y s SER 162 N -1.45 5.68 0.22 4.50 1.04 -1.26 -0.41 113.70 122.01 1h8y s SER 162 Ca -0.13 -0.21 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 1h8y s SER 162 Cb -0.06 -0.93 0.17 0.00 0.10 0.00 0.00 66.02 65.30 1h8y s SER 162 CO 0.02 -0.75 1.79 0.00 0.98 0.00 0.00 173.24 175.28 1h8y h ALA 163 N 0.56 1.07 -0.40 5.32 0.00 -1.69 -0.67 119.26 123.45 1h8y h ALA 163 Ca -0.42 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1h8y h ALA 163 Cb 1.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1h8y h ALA 163 CO 0.50 0.67 -0.19 0.28 0.00 0.00 0.00 179.25 180.51 1h8y h VAL 164 N 1.18 1.27 0.00 0.00 2.07 -1.64 -1.64 116.25 117.48 1h8y h VAL 164 Ca 0.27 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 1h8y h VAL 164 Cb 0.19 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1h8y h VAL 164 CO -0.03 0.43 -0.44 -1.13 0.02 0.00 0.00 177.57 176.42 1h8y h ASN 165 N 0.68 0.00 -0.09 0.57 -0.73 -1.71 -1.04 115.58 113.26 1h8y h ASN 165 Ca 0.10 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 1h8y h ASN 165 Cb 0.68 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.27 1h8y h ASN 165 CO 0.05 0.44 0.03 1.56 -0.37 0.00 0.00 177.43 179.14 1h8y h GLN 166 N 0.00 0.14 -0.38 6.67 1.08 -0.67 0.08 115.11 122.05 1h8y h GLN 166 Ca -0.00 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1h8y h GLN 166 Cb 0.79 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 1h8y h GLN 166 CO 0.06 0.29 0.17 0.28 -0.95 0.00 0.00 178.83 178.67 1h8y h VAL 167 N -0.03 0.95 -0.89 -0.54 2.07 -0.93 0.11 116.25 116.99 1h8y h VAL 167 Ca 0.03 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1h8y h VAL 167 Cb 0.20 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1h8y h VAL 167 CO -0.00 0.06 0.54 -0.33 0.02 0.00 0.00 177.57 177.86 1h8y h GLU 168 N 0.35 1.20 -0.54 1.57 5.08 -0.87 -0.37 114.58 121.00 1h8y h GLU 168 Ca 0.16 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1h8y h GLU 168 Cb 0.10 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1h8y h GLU 168 CO -0.13 0.84 0.15 0.35 -1.00 0.00 0.00 179.01 179.22 1h8y h PHE 169 N 1.22 0.88 -0.38 4.33 3.57 -0.21 -2.11 116.94 124.26 1h8y h PHE 169 Ca 0.32 -0.10 -0.12 0.00 3.53 0.00 0.00 57.97 61.60 1h8y h PHE 169 Cb -0.06 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 1h8y h PHE 169 CO 0.00 0.76 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.52 1h8y h LEU 170 N 0.75 0.78 -0.50 0.59 3.38 -0.43 -2.12 115.31 117.76 1h8y h LEU 170 Ca 0.17 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1h8y h LEU 170 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1h8y h LEU 170 CO -0.00 1.00 0.17 -0.08 0.09 0.00 0.00 178.44 179.62 1h8y h GLU 171 N 0.66 0.77 -0.66 1.13 4.81 -0.93 0.16 114.58 120.51 1h8y h GLU 171 Ca 0.09 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1h8y h GLU 171 Cb 0.76 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1h8y h GLU 171 CO 0.06 0.70 0.41 0.77 -0.73 0.00 0.00 179.01 180.23 1h8y h SER 172 N 0.67 0.78 -0.22 1.04 0.02 -1.25 0.12 113.55 114.71 1h8y h SER 172 Ca 0.16 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1h8y h SER 172 Cb 0.24 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1h8y h SER 172 CO -0.01 0.59 0.10 0.25 -1.14 0.00 0.00 176.83 176.62 1h8y h LEU 173 N 0.89 0.29 -0.73 5.07 5.85 -0.94 0.23 115.31 125.97 1h8y h LEU 173 Ca 0.24 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1h8y h LEU 173 Cb -0.06 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 1h8y h LEU 173 CO -0.05 0.34 0.31 0.15 -0.34 0.00 0.00 178.44 178.85 1h8y h PHE 174 N 0.22 0.53 -0.00 1.25 3.57 -0.02 0.64 116.94 123.13 1h8y h PHE 174 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1h8y h PHE 174 Cb 0.13 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1h8y h PHE 174 CO -0.02 0.10 -0.00 1.28 -2.23 0.00 0.00 178.31 177.44 1h8y n LEU 175 N -4.97 0.17 -2.63 0.59 4.77 0.34 -4.90 117.00 110.38 1h8y n LEU 175 Ca 0.13 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.89 1h8y n LEU 175 Cb 0.37 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1h8y n LEU 175 CO 0.20 0.03 -0.03 0.59 -1.33 0.00 0.00 177.39 176.85 1h8y n ASN 176 N -0.91 -5.61 -0.54 -1.43 3.02 0.22 -4.91 115.26 105.09 1h8y n ASN 176 Ca 0.22 -0.23 0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1h8y n ASN 176 Cb 0.16 -4.46 0.02 0.00 -0.61 0.00 0.00 39.78 34.88 1h8y n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1h8y n LYS 177 N -3.56 1.55 -1.35 3.52 5.02 0.71 -4.91 118.16 119.15 1h8y n LYS 177 Ca -0.12 -1.13 -0.31 0.00 -2.02 0.00 0.00 58.31 54.73 1h8y n LYS 177 Cb 0.62 -1.39 0.08 0.00 -0.02 0.00 0.00 35.03 34.32 1h8y n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h8y s LEU 178 N -2.13 3.08 -1.23 -0.35 1.43 -1.23 -4.91 118.68 113.32 1h8y s LEU 178 Ca 0.18 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.91 1h8y s LEU 178 Cb 0.16 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.94 1h8y s LEU 178 CO 0.43 -1.92 1.64 -0.44 0.23 0.00 0.00 176.35 176.29 1h8y s SER 179 N -3.38 6.81 0.06 2.29 0.01 -1.26 -4.82 113.70 113.41 1h8y s SER 179 Ca 0.61 -2.34 -0.27 0.00 1.31 0.00 0.00 55.95 55.27 1h8y s SER 179 Cb -0.17 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.60 1h8y s SER 179 CO 0.55 -1.17 0.78 0.00 0.41 0.00 0.00 173.24 173.81 1h8y s ALA 180 N 4.00 -1.73 0.87 1.44 0.00 -1.26 -5.03 121.76 120.05 1h8y s ALA 180 Ca 0.51 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 1h8y s ALA 180 Cb 0.02 0.60 0.12 0.00 0.00 0.00 0.00 23.12 23.86 1h8y s ALA 180 CO 0.04 -0.73 1.14 -1.54 0.00 0.00 0.00 175.76 174.67 1h8y s SER 181 N -2.59 3.30 0.34 0.00 1.04 -1.26 -4.86 113.70 109.66 1h8y s SER 181 Ca 0.04 2.14 0.06 0.00 0.48 0.00 0.00 55.95 58.67 1h8y s SER 181 Cb -0.01 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 64.15 1h8y s SER 181 CO -0.10 -2.85 1.82 0.50 0.98 0.00 0.00 173.24 173.59 1h8y h LYS 182 N -1.62 0.34 -0.56 4.02 3.64 -1.93 -2.33 116.57 118.13 1h8y h LYS 182 Ca -0.43 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 58.74 1h8y h LYS 182 Cb 1.26 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1h8y h LYS 182 CO 0.44 0.53 -0.05 1.49 -2.27 0.00 0.00 179.45 179.58 1h8y h GLU 183 N 0.31 1.00 -0.16 1.90 4.81 -1.99 -0.45 114.58 119.99 1h8y h GLU 183 Ca 0.06 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.80 1h8y h GLU 183 Cb 0.52 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1h8y h GLU 183 CO 0.03 1.01 -0.53 -0.91 -0.73 0.00 0.00 179.01 177.88 1h8y h ASN 184 N 0.90 0.52 -0.47 1.04 2.35 -1.83 -1.18 115.58 116.92 1h8y h ASN 184 Ca 0.15 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 1h8y h ASN 184 Cb 0.59 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1h8y h ASN 184 CO 0.04 0.95 -0.13 1.56 -1.65 0.00 0.00 177.43 178.20 1h8y h GLN 185 N 0.36 0.95 -0.32 0.81 4.20 -1.21 -2.05 115.11 117.85 1h8y h GLN 185 Ca 0.01 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.26 1h8y h GLN 185 Cb 1.05 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1h8y h GLN 185 CO 0.09 1.01 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.96 1h8y h LEU 186 N 0.84 0.64 -0.48 1.46 3.38 -0.93 -1.38 115.31 118.85 1h8y h LEU 186 Ca 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1h8y h LEU 186 Cb 0.68 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1h8y h LEU 186 CO 0.05 0.87 0.29 0.40 0.09 0.00 0.00 178.44 180.14 1h8y h ILE 187 N 0.56 1.15 -0.23 1.22 2.04 -0.96 -1.46 117.51 119.82 1h8y h ILE 187 Ca 0.08 -0.33 -0.18 0.00 1.00 0.00 0.00 64.86 65.43 1h8y h ILE 187 Cb 0.71 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1h8y h ILE 187 CO 0.05 0.15 -0.58 0.58 0.00 0.00 0.00 178.15 178.36 1h8y h VAL 188 N 0.64 1.30 -0.81 1.67 2.07 -0.90 -1.88 116.25 118.34 1h8y h VAL 188 Ca 0.17 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1h8y h VAL 188 Cb -0.01 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1h8y h VAL 188 CO -0.03 0.57 0.42 0.11 0.02 0.00 0.00 177.57 178.66 1h8y h LYS 189 N 0.55 1.13 -0.45 1.57 1.57 -1.08 -2.17 116.57 117.70 1h8y h LYS 189 Ca 0.00 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1h8y h LYS 189 Cb 1.16 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1h8y h LYS 189 CO 0.12 0.84 -0.17 1.49 -0.57 0.00 0.00 179.45 181.16 1h8y h GLU 190 N 1.13 0.86 0.00 3.15 4.81 -1.12 -2.60 114.58 120.82 1h8y h GLU 190 Ca 0.28 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1h8y h GLU 190 Cb 0.06 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1h8y h GLU 190 CO -0.04 0.97 0.00 0.00 -0.73 0.00 0.00 179.01 179.20 1h8y n ALA 191 N -2.50 1.33 1.05 2.92 0.00 -0.72 -2.07 120.51 120.52 1h8y n ALA 191 Ca 0.01 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1h8y n ALA 191 Cb 0.42 -1.29 0.12 0.00 0.00 0.00 0.00 19.45 18.69 1h8y n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h8y n LEU 192 N -2.08 2.50 -4.73 0.00 4.77 -0.87 -4.69 117.00 111.91 1h8y n LEU 192 Ca 0.01 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.71 1h8y n LEU 192 Cb 0.11 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1h8y n LEU 192 CO 0.12 0.43 1.31 -0.69 -1.33 0.00 0.00 177.39 177.23 1h8y s VAL 193 N -2.17 2.17 0.00 4.08 1.01 -0.88 -1.59 120.40 123.02 1h8y s VAL 193 Ca 0.26 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1h8y s VAL 193 Cb 0.19 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1h8y s VAL 193 CO 0.39 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.86 1h8y n THR 194 N 3.50 0.00 -3.73 3.92 -2.24 0.05 -4.91 114.28 110.87 1h8y n THR 194 Ca 0.13 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1h8y n THR 194 Cb 0.36 0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.84 1h8y n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1h8y s GLU 195 N -0.87 0.29 -0.04 -0.78 2.12 -1.12 -5.00 118.70 113.31 1h8y s GLU 195 Ca 0.00 0.56 0.05 0.00 0.36 0.00 0.00 54.97 55.94 1h8y s GLU 195 Cb 0.00 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.37 1h8y s GLU 195 CO 0.00 -0.13 -0.18 0.00 -0.54 0.00 0.00 175.26 174.41 1h8y s ALA 196 N 0.98 1.59 0.12 6.30 0.00 -1.26 -0.85 121.76 128.64 1h8y s ALA 196 Ca -0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1h8y s ALA 196 Cb -0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1h8y s ALA 196 CO -0.07 0.32 0.14 0.00 0.00 0.00 0.00 175.76 176.15 1h8y s ALA 197 N -0.13 0.34 0.29 0.00 0.00 0.74 -4.99 121.76 118.00 1h8y s ALA 197 Ca -0.00 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1h8y s ALA 197 Cb -0.10 0.70 0.62 0.00 0.00 0.00 0.00 23.12 24.34 1h8y s ALA 197 CO 0.01 -0.52 1.80 -1.35 0.00 0.00 0.00 175.76 175.70 1h8y h PRO 198 N 2.79 0.82 0.00 0.00 0.11 -2.02 -2.19 132.00 131.49 1h8y h PRO 198 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1h8y h PRO 198 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1h8y h PRO 198 CO 0.56 0.54 -0.93 0.39 -0.21 0.00 0.00 178.00 178.35 1h8y n GLU 199 N -4.72 0.26 -3.58 1.05 -0.58 -1.26 -4.98 120.64 106.83 1h8y n GLU 199 Ca 0.20 0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1h8y n GLU 199 Cb 0.45 -1.60 -0.04 0.00 -0.57 0.00 0.00 31.44 29.68 1h8y n GLU 199 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1h8y s TYR 200 N -3.17 -0.33 -0.06 -0.32 -0.85 -0.83 -1.65 117.35 110.15 1h8y s TYR 200 Ca 0.05 0.15 0.06 0.00 -0.52 0.00 0.00 57.07 56.81 1h8y s TYR 200 Cb 0.14 0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.80 1h8y s TYR 200 CO 0.78 -0.70 -0.24 -0.51 -1.52 0.00 0.00 175.55 173.37 1h8y s LEU 201 N -2.49 2.14 -0.21 -3.49 1.02 -0.27 -0.19 118.68 115.20 1h8y s LEU 201 Ca -0.00 -0.49 -0.06 0.00 0.02 0.00 0.00 54.13 53.60 1h8y s LEU 201 Cb 0.00 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 1h8y s LEU 201 CO -0.08 0.25 0.03 -0.69 0.02 0.00 0.00 176.35 175.88 1h8y s VAL 202 N -0.18 4.25 -0.20 -1.59 1.01 -0.03 -0.86 120.40 122.80 1h8y s VAL 202 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1h8y s VAL 202 Cb -0.14 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1h8y s VAL 202 CO 0.04 0.42 0.03 -1.00 0.00 0.00 0.00 175.10 174.58 1h8y s HIS 203 N 0.96 3.09 0.23 5.22 3.76 -0.01 -0.77 115.29 127.77 1h8y s HIS 203 Ca 0.03 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.43 1h8y s HIS 203 Cb -0.14 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.45 1h8y s HIS 203 CO 0.02 -0.18 0.55 -1.54 -0.85 0.00 0.00 174.74 172.74 1h8y s SER 204 N 0.98 -0.19 -0.24 1.40 1.04 -0.62 -0.67 113.70 115.39 1h8y s SER 204 Ca 0.02 -0.68 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 1h8y s SER 204 Cb -0.14 0.61 0.09 0.00 0.10 0.00 0.00 66.02 66.68 1h8y s SER 204 CO 0.02 -1.15 0.57 -0.75 0.98 0.00 0.00 173.24 172.91 1h8y s LYS 205 N -3.94 0.54 0.56 4.02 2.47 -0.58 -4.81 119.74 118.00 1h8y s LYS 205 Ca 0.15 1.13 -0.03 0.00 -1.56 0.00 0.00 55.97 55.66 1h8y s LYS 205 Cb -0.02 0.27 0.02 0.00 -1.46 0.00 0.00 37.83 36.64 1h8y s LYS 205 CO 0.04 -0.18 0.83 0.95 0.16 0.00 0.00 175.35 177.15 1h8y s THR 206 N 1.96 3.32 -0.07 3.43 -4.23 -1.26 -1.72 115.64 117.07 1h8y s THR 206 Ca -0.08 -0.32 -0.28 0.00 -1.18 0.00 0.00 61.69 59.83 1h8y s THR 206 Cb -0.08 -3.29 0.06 0.00 1.34 0.00 0.00 72.50 70.53 1h8y s THR 206 CO -0.17 -0.26 0.64 -0.83 -0.54 0.00 0.00 174.62 173.47 1h8y s GLY 207 N -4.34 -0.53 -0.20 3.99 0.00 -0.82 -3.59 107.32 101.83 1h8y s GLY 207 Ca 0.54 1.28 -0.06 0.00 0.00 0.00 0.00 44.72 46.47 1h8y s GLY 207 CO 0.42 0.94 0.41 -0.12 0.00 0.00 0.00 173.10 174.75 1h8y s PHE 208 N -1.04 -0.80 -1.16 1.90 5.36 -1.26 -0.25 117.98 120.74 1h8y s PHE 208 Ca -0.10 1.43 0.29 0.00 -0.96 0.00 0.00 56.93 57.59 1h8y s PHE 208 Cb -0.01 0.26 1.30 0.00 -0.34 0.00 0.00 43.02 44.23 1h8y s PHE 208 CO 0.08 -0.51 1.95 -1.13 -1.46 0.00 0.00 175.22 174.15 1h8y n SER 209 N 5.39 0.04 0.00 6.13 3.41 -0.01 -4.69 113.62 123.88 1h8y n SER 209 Ca -0.08 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1h8y n SER 209 Cb 0.50 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1h8y n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h8y n GLY 210 N 1.42 1.64 0.22 5.00 0.00 -1.26 -4.83 105.19 107.37 1h8y n GLY 210 Ca 0.10 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 44.09 1h8y n GLY 210 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1h8y h VAL 211 N 0.00 0.25 0.00 1.61 -1.51 -1.89 -3.24 116.25 111.48 1h8y h VAL 211 Ca 0.00 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 1h8y h VAL 211 Cb 0.00 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1h8y h VAL 211 CO 0.00 0.13 0.00 0.61 -1.23 0.00 0.00 177.57 177.08 1h8y n GLY 212 N 0.74 4.17 0.26 5.19 0.00 -1.26 -2.20 105.19 112.08 1h8y n GLY 212 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1h8y n GLY 212 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h8y n THR 213 N 0.00 0.00 0.06 2.61 -2.24 0.05 -4.92 114.28 109.83 1h8y n THR 213 Ca 0.00 -0.18 0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1h8y n THR 213 Cb 0.00 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1h8y n THR 213 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1h8y h GLU 214 N 0.00 0.00 0.02 -0.78 5.08 -1.91 -3.14 114.58 113.84 1h8y h GLU 214 Ca -0.03 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.05 1h8y h GLU 214 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1h8y h GLU 214 CO 0.04 0.21 -1.59 0.66 -1.00 0.00 0.00 179.01 177.34 1h8y h SER 215 N 0.00 0.06 -2.92 1.42 4.64 -1.96 -3.40 113.55 111.39 1h8y h SER 215 Ca -0.11 -0.12 -0.60 0.00 -0.47 0.00 0.00 61.79 60.49 1h8y h SER 215 Cb 1.42 -0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 63.09 1h8y h SER 215 CO 0.03 1.10 -0.80 0.21 -0.87 0.00 0.00 176.83 176.51 1h8y s ASN 216 N -6.35 3.05 0.70 4.97 3.04 -1.26 -5.13 114.94 113.97 1h8y s ASN 216 Ca -0.05 -2.97 -0.12 0.00 0.04 0.00 0.00 52.86 49.76 1h8y s ASN 216 Cb 0.08 -0.87 0.02 0.00 -1.54 0.00 0.00 41.25 38.94 1h8y s ASN 216 CO 0.82 -0.20 1.08 -2.16 -3.04 0.00 0.00 177.10 173.60 1h8y s PRO 217 N -0.02 2.73 0.00 0.43 0.04 -1.19 -0.77 135.00 136.22 1h8y s PRO 217 Ca 0.24 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1h8y s PRO 217 Cb -0.11 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1h8y s PRO 217 CO -0.10 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1h8y n GLY 218 N -1.36 -1.49 3.13 0.56 0.00 -0.43 -4.75 105.19 100.84 1h8y n GLY 218 Ca 0.09 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 1h8y n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8y s VAL 219 N -0.76 1.11 0.02 1.61 0.11 -1.26 -1.41 120.40 119.82 1h8y s VAL 219 Ca 0.00 -0.85 0.08 0.00 -2.93 0.00 0.00 61.98 58.28 1h8y s VAL 219 Cb 0.00 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1h8y s VAL 219 CO 0.00 0.12 -0.23 0.00 -3.33 0.00 0.00 175.10 171.66 1h8y s ALA 220 N -0.66 2.37 0.33 1.54 0.00 -0.55 -0.83 121.76 123.96 1h8y s ALA 220 Ca 0.03 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1h8y s ALA 220 Cb -0.07 -0.62 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1h8y s ALA 220 CO 0.01 0.55 -0.01 -1.58 0.00 0.00 0.00 175.76 174.72 1h8y s TRP 221 N -0.78 2.13 -0.33 0.00 0.52 0.66 -1.47 118.94 119.67 1h8y s TRP 221 Ca 0.12 -0.75 0.04 0.00 0.02 0.00 0.00 56.10 55.53 1h8y s TRP 221 Cb -0.10 -1.35 0.19 0.00 -1.15 0.00 0.00 33.47 31.06 1h8y s TRP 221 CO 0.02 0.26 0.67 -0.46 0.02 0.00 0.00 176.95 177.46 1h8y s TRP 222 N -2.99 -1.61 0.20 -1.98 -0.00 -0.70 -1.95 118.94 109.90 1h8y s TRP 222 Ca 0.33 0.68 0.11 0.00 -0.00 0.00 0.00 56.10 57.22 1h8y s TRP 222 Cb 0.07 0.28 -0.04 0.00 -0.00 0.00 0.00 33.47 33.78 1h8y s TRP 222 CO 0.15 -1.00 -0.20 0.14 -0.00 0.00 0.00 176.95 176.04 1h8y s VAL 223 N 2.46 2.56 -3.28 5.86 -7.23 -0.70 -2.49 120.40 117.58 1h8y s VAL 223 Ca 0.14 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1h8y s VAL 223 Cb -0.06 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1h8y s VAL 223 CO -0.19 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1h8y n GLY 224 N 0.14 -0.62 3.32 2.32 0.00 -0.06 -1.53 105.19 108.77 1h8y n GLY 224 Ca -0.12 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1h8y n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h8y s TRP 225 N -3.00 -0.29 -0.15 1.61 -2.14 0.15 -0.70 118.94 114.43 1h8y s TRP 225 Ca 0.00 0.33 0.01 0.00 2.66 0.00 0.00 56.10 59.10 1h8y s TRP 225 Cb 0.00 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.58 1h8y s TRP 225 CO 0.00 -0.53 -0.18 0.08 -2.66 0.00 0.00 176.95 173.66 1h8y s VAL 226 N -2.06 2.42 -0.36 -0.66 1.01 0.85 -0.83 120.40 120.76 1h8y s VAL 226 Ca -0.08 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1h8y s VAL 226 Cb -0.02 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1h8y s VAL 226 CO 0.01 0.53 0.31 -1.61 0.00 0.00 0.00 175.10 174.34 1h8y s GLU 227 N 0.78 3.37 -0.29 2.72 2.02 -0.04 -0.51 118.70 126.74 1h8y s GLU 227 Ca -0.07 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.28 1h8y s GLU 227 Cb -0.16 -3.86 0.08 0.00 0.10 0.00 0.00 34.13 30.30 1h8y s GLU 227 CO -0.00 -0.58 0.02 0.21 0.02 0.00 0.00 175.26 174.93 1h8y s LYS 228 N 1.85 1.40 7.41 1.61 2.20 -0.69 -1.11 119.74 132.41 1h8y s LYS 228 Ca 0.08 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 1h8y s LYS 228 Cb -0.17 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 1h8y s LYS 228 CO 0.11 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 1h8y n GLY 229 N 4.54 3.04 0.50 5.54 0.00 -0.66 -1.01 105.19 117.15 1h8y n GLY 229 Ca -0.04 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1h8y n GLY 229 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h8y n THR 230 N 0.00 0.07 -3.46 2.61 -2.24 -1.26 -4.93 114.28 105.06 1h8y n THR 230 Ca 0.00 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1h8y n THR 230 Cb 0.00 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 1h8y n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1h8y s GLU 231 N -1.93 3.23 -0.00 -0.78 2.56 -0.18 -5.13 118.70 116.47 1h8y s GLU 231 Ca 0.36 -0.75 0.02 0.00 0.00 0.00 0.00 54.97 54.60 1h8y s GLU 231 Cb 0.20 -2.76 -0.00 0.00 2.00 0.00 0.00 34.13 33.57 1h8y s GLU 231 CO 0.31 0.08 -0.06 0.54 -0.56 0.00 0.00 175.26 175.58 1h8y s VAL 232 N -2.24 0.44 -0.11 3.70 0.11 -1.26 -1.71 120.40 119.34 1h8y s VAL 232 Ca 0.43 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1h8y s VAL 232 Cb -0.10 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1h8y s VAL 232 CO 0.33 0.11 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.72 1h8y s TYR 233 N -0.17 2.15 0.08 1.54 1.51 0.33 -0.09 117.35 122.71 1h8y s TYR 233 Ca 0.02 -1.00 -0.00 0.00 -1.01 0.00 0.00 57.07 55.08 1h8y s TYR 233 Cb -0.02 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1h8y s TYR 233 CO -0.00 -0.48 0.24 -0.06 -1.11 0.00 0.00 175.55 174.14 1h8y s PHE 234 N 0.83 3.51 -0.02 2.71 0.08 0.08 -0.11 117.98 125.07 1h8y s PHE 234 Ca -0.09 0.27 -0.19 0.00 0.12 0.00 0.00 56.93 57.04 1h8y s PHE 234 Cb -0.16 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1h8y s PHE 234 CO 0.00 0.56 0.42 -0.59 -0.10 0.00 0.00 175.22 175.51 1h8y s PHE 235 N -1.56 -0.31 -0.07 0.36 -0.12 0.12 -1.47 117.98 114.93 1h8y s PHE 235 Ca 0.36 0.49 -0.03 0.00 -0.05 0.00 0.00 56.93 57.69 1h8y s PHE 235 Cb -0.13 0.19 0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1h8y s PHE 235 CO 0.28 -0.47 0.16 0.00 -0.05 0.00 0.00 175.22 175.14 1h8y s ALA 236 N -1.41 -0.32 -0.03 1.99 0.00 -0.71 -0.88 121.76 120.41 1h8y s ALA 236 Ca -0.12 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1h8y s ALA 236 Cb -0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 1h8y s ALA 236 CO 0.05 -0.16 -0.13 0.12 0.00 0.00 0.00 175.76 175.64 1h8y s PHE 237 N 1.16 1.33 0.05 0.00 2.19 -1.04 -1.04 117.98 120.63 1h8y s PHE 237 Ca -0.09 -0.34 -0.02 0.00 0.33 0.00 0.00 56.93 56.81 1h8y s PHE 237 Cb -0.11 -0.90 -0.03 0.00 -1.31 0.00 0.00 43.02 40.67 1h8y s PHE 237 CO -0.06 -0.11 0.00 0.54 1.83 0.00 0.00 175.22 177.42 1h8y s ASN 238 N 0.02 0.41 0.06 6.13 2.20 -0.73 -1.73 114.94 121.30 1h8y s ASN 238 Ca -0.02 -0.89 -0.20 0.00 -0.94 0.00 0.00 52.86 50.81 1h8y s ASN 238 Cb -0.09 0.21 0.05 0.00 -2.00 0.00 0.00 41.25 39.42 1h8y s ASN 238 CO 0.01 -0.59 0.48 0.00 -2.94 0.00 0.00 177.10 174.06 1h8y s MET 239 N -3.65 1.01 0.30 3.55 0.23 -0.54 -0.96 119.30 119.24 1h8y s MET 239 Ca 0.04 -0.32 -0.27 0.00 -1.03 0.00 0.00 55.69 54.11 1h8y s MET 239 Cb 0.06 0.46 -0.10 0.00 -1.53 0.00 0.00 34.83 33.72 1h8y s MET 239 CO -0.09 -0.36 0.96 -0.51 -2.03 0.00 0.00 175.02 172.98 1h8y s ASP 240 N -2.07 7.41 -0.12 -1.18 1.01 -0.20 -1.49 116.67 120.03 1h8y s ASP 240 Ca -0.04 1.90 -0.06 0.00 0.71 0.00 0.00 52.55 55.06 1h8y s ASP 240 Cb -0.01 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.39 1h8y s ASP 240 CO -0.03 -0.02 0.28 -0.51 0.21 0.00 0.00 175.17 175.10 1h8y s ILE 241 N -1.45 -0.12 0.00 0.77 2.07 -0.50 -4.75 121.20 117.22 1h8y s ILE 241 Ca 0.47 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.88 1h8y s ILE 241 Cb -0.22 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1h8y s ILE 241 CO 0.27 0.07 0.69 -0.90 -1.91 0.00 0.00 174.94 173.16 1h8y n ASP 242 N 4.48 1.32 -3.69 4.50 5.68 -1.26 -1.31 116.55 126.26 1h8y n ASP 242 Ca -0.21 -1.43 -0.12 0.00 -0.50 0.00 0.00 54.79 52.52 1h8y n ASP 242 Cb 0.53 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.38 1h8y n ASP 242 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1h8y s ASN 243 N -0.43 -0.06 0.53 -1.12 3.84 -1.26 -4.85 114.94 111.58 1h8y s ASN 243 Ca 0.00 0.64 0.33 0.00 0.21 0.00 0.00 52.86 54.04 1h8y s ASN 243 Cb 0.00 0.64 1.79 0.00 -0.55 0.00 0.00 41.25 43.13 1h8y s ASN 243 CO 0.00 -0.20 2.00 -0.33 -2.79 0.00 0.00 177.10 175.78 1h8y h GLU 244 N 7.68 0.00 0.00 0.43 5.08 -1.97 -0.85 114.58 124.95 1h8y h GLU 244 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1h8y h GLU 244 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1h8y h GLU 244 CO 0.25 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.53 1h8y n ASN 245 N -2.70 0.06 -0.61 1.42 6.94 -1.26 -1.46 115.26 117.65 1h8y n ASN 245 Ca -0.02 0.51 0.13 0.00 -0.02 0.00 0.00 54.58 55.18 1h8y n ASN 245 Cb 0.11 -0.52 0.41 0.00 -2.36 0.00 0.00 39.78 37.42 1h8y n ASN 245 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1h8y n LYS 246 N -1.56 1.83 -0.12 -3.83 4.76 -0.32 -4.44 118.16 114.48 1h8y n LYS 246 Ca 0.04 -1.22 0.08 0.00 -2.87 0.00 0.00 58.31 54.35 1h8y n LYS 246 Cb 0.22 -1.47 0.41 0.00 -1.84 0.00 0.00 35.03 32.36 1h8y n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1h8y h LEU 247 N 2.87 0.53 -2.08 -0.35 5.85 -1.41 -2.47 115.31 118.25 1h8y h LEU 247 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1h8y h LEU 247 Cb 0.61 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1h8y h LEU 247 CO 0.00 0.34 -0.08 -0.65 -0.34 0.00 0.00 178.44 177.71 1h8y h PRO 248 N 0.60 0.00 0.00 5.25 0.11 -1.82 -1.50 132.00 134.64 1h8y h PRO 248 Ca 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1h8y h PRO 248 Cb 0.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1h8y h PRO 248 CO -0.08 0.08 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.68 1h8y h LEU 249 N 0.00 0.00 -1.79 2.35 3.38 -1.78 -1.77 115.31 115.70 1h8y h LEU 249 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1h8y h LEU 249 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1h8y h LEU 249 CO 0.01 0.04 0.01 -0.09 0.09 0.00 0.00 178.44 178.50 1h8y h ARG 250 N 0.00 0.13 0.00 1.13 1.12 -1.42 -1.54 114.38 113.80 1h8y h ARG 250 Ca -0.00 -0.01 -0.38 0.00 -1.11 0.00 0.00 59.98 58.48 1h8y h ARG 250 Cb 0.55 -0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 30.41 1h8y h ARG 250 CO 0.01 0.14 -2.41 1.63 -3.11 0.00 0.00 179.97 176.23 1h8y n LYS 251 N -4.46 0.68 0.03 0.20 5.02 -1.07 -4.51 118.16 114.05 1h8y n LYS 251 Ca -0.01 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.17 1h8y n LYS 251 Cb 0.13 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1h8y n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1h8y h SER 252 N 0.00 0.74 0.09 4.39 4.64 -0.99 -1.14 113.55 121.28 1h8y h SER 252 Ca -0.55 -0.53 0.01 0.00 -0.47 0.00 0.00 61.79 60.25 1h8y h SER 252 Cb 2.14 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.99 1h8y h SER 252 CO -0.01 1.32 -0.14 0.40 -0.87 0.00 0.00 176.83 177.53 1h8y h ILE 253 N 0.38 0.67 -0.27 0.95 2.04 -1.55 -0.01 117.51 119.72 1h8y h ILE 253 Ca -0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1h8y h ILE 253 Cb 1.49 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1h8y h ILE 253 CO 0.16 0.00 -0.06 -0.65 0.00 0.00 0.00 178.15 177.60 1h8y h PRO 254 N -0.29 0.42 -0.17 2.37 0.10 -1.77 -0.94 132.00 131.73 1h8y h PRO 254 Ca 0.02 -0.10 -0.02 0.00 0.10 0.00 0.00 66.00 66.00 1h8y h PRO 254 Cb 0.30 -0.06 -0.01 0.00 0.10 0.00 0.00 31.00 31.34 1h8y h PRO 254 CO -0.08 0.50 0.02 1.15 0.10 0.00 0.00 178.00 179.69 1h8y h THR 255 N 0.40 1.24 -0.49 -1.15 2.02 -0.82 0.55 112.91 114.66 1h8y h THR 255 Ca 0.08 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1h8y h THR 255 Cb 0.37 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1h8y h THR 255 CO 0.02 0.23 0.31 0.11 0.37 0.00 0.00 175.52 176.56 1h8y h LYS 256 N 0.06 0.61 -0.26 6.66 1.57 -0.63 0.26 116.57 124.84 1h8y h LYS 256 Ca 0.05 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1h8y h LYS 256 Cb 0.34 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1h8y h LYS 256 CO 0.01 0.40 0.09 0.82 -0.57 0.00 0.00 179.45 180.20 1h8y h ILE 257 N 0.63 0.93 -0.16 1.86 2.04 -1.00 0.80 117.51 122.61 1h8y h ILE 257 Ca 0.19 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.86 1h8y h ILE 257 Cb -0.03 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1h8y h ILE 257 CO -0.06 0.04 -0.41 0.24 0.00 0.00 0.00 178.15 177.96 1h8y h MET 258 N 0.21 0.35 -0.51 2.37 2.86 -0.34 -2.31 114.93 117.57 1h8y h MET 258 Ca 0.12 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1h8y h MET 258 Cb 0.08 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1h8y h MET 258 CO -0.12 0.71 0.25 0.00 1.06 0.00 0.00 176.91 178.81 1h8y h ALA 259 N 1.28 0.66 0.00 6.32 0.00 -0.03 -1.62 119.26 125.86 1h8y h ALA 259 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1h8y h ALA 259 Cb 0.85 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1h8y h ALA 259 CO 0.07 0.21 -0.03 0.66 0.00 0.00 0.00 179.25 180.15 1h8y h SER 260 N 0.68 0.00 -0.14 0.00 4.64 -0.32 0.21 113.55 118.62 1h8y h SER 260 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1h8y h SER 260 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1h8y h SER 260 CO -0.02 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 1h8y n GLU 261 N -3.78 1.71 -1.08 4.77 -0.58 -0.92 -4.91 120.64 115.84 1h8y n GLU 261 Ca -0.03 -1.05 -0.03 0.00 -0.42 0.00 0.00 57.16 55.63 1h8y n GLU 261 Cb 0.13 -1.41 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1h8y n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h8y n GLY 262 N 1.13 0.61 0.07 0.62 0.00 0.74 -4.96 105.19 103.41 1h8y n GLY 262 Ca 0.17 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1h8y n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1h8y h ILE 263 N 0.00 1.56 -2.41 -0.61 2.04 -1.49 -3.48 117.51 113.13 1h8y h ILE 263 Ca -0.06 -2.25 -0.53 0.00 1.00 0.00 0.00 64.86 63.02 1h8y h ILE 263 Cb 0.21 3.03 -0.14 0.00 -0.74 0.00 0.00 36.82 39.19 1h8y h ILE 263 CO 0.09 0.53 -0.58 0.27 0.00 0.00 0.00 178.15 178.46 1h8y s ILE 264 N -2.21 1.20 0.18 -0.67 -4.36 -1.24 -4.96 121.20 109.13 1h8y s ILE 264 Ca -0.20 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.17 1h8y s ILE 264 Cb -0.01 -2.69 -0.08 0.00 1.25 0.00 0.00 42.46 40.93 1h8y s ILE 264 CO 0.64 0.00 1.47 1.23 0.24 0.00 0.00 174.94 178.52 1h8y h GLY 265 N 1.93 0.54 0.00 6.27 0.00 -1.93 -3.38 103.07 106.50 1h8y h GLY 265 Ca -0.41 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1h8y h GLY 265 CO 0.69 0.62 0.00 0.61 0.00 0.00 0.00 176.54 178.46