#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nui s PHE 11 N 0.00 3.22 -0.22 3.52 5.36 -1.26 0.68 117.98 129.29 1nui s PHE 11 Ca 0.00 0.98 -0.16 0.00 -0.96 0.00 0.00 56.93 56.80 1nui s PHE 11 Cb 0.00 -3.64 -0.08 0.00 -0.34 0.00 0.00 43.02 38.95 1nui s PHE 11 CO 0.00 -2.23 -0.34 1.28 -1.46 0.00 0.00 175.22 172.47 1nui n LEU 12 N 4.13 1.90 0.00 6.12 4.77 0.20 -4.88 117.00 129.24 1nui n LEU 12 Ca 0.11 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1nui n LEU 12 Cb 0.43 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1nui n LEU 12 CO 0.58 0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.75 1nui n TYR 13 N -4.32 0.00 -1.62 -1.77 0.18 -1.16 -5.02 117.16 103.45 1nui n TYR 13 Ca -0.32 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.13 1nui n TYR 13 Cb 0.68 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.70 1nui n TYR 13 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1nui s HIS 14 N -2.00 2.43 0.02 -3.48 3.76 -1.26 -1.73 115.29 113.03 1nui s HIS 14 Ca 0.00 1.57 -0.06 0.00 -0.15 0.00 0.00 55.06 56.43 1nui s HIS 14 Cb 0.00 -3.26 -0.01 0.00 1.11 0.00 0.00 32.58 30.43 1nui s HIS 14 CO 0.00 -1.98 0.10 0.42 -0.85 0.00 0.00 174.74 172.43 1nui s ILE 15 N -2.26 0.11 0.44 0.60 -1.09 0.37 -4.81 121.20 114.55 1nui s ILE 15 Ca 0.69 -0.89 -0.23 0.00 -2.23 0.00 0.00 60.65 57.99 1nui s ILE 15 Cb -0.23 -0.61 -0.08 0.00 -1.58 0.00 0.00 42.46 39.96 1nui s ILE 15 CO 0.43 -0.49 1.08 -2.16 -1.23 0.00 0.00 174.94 172.57 1nui s PRO 16 N -1.92 3.94 -0.07 2.79 0.04 -1.08 -2.62 135.00 136.08 1nui s PRO 16 Ca -0.11 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 1nui s PRO 16 Cb -0.05 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1nui s PRO 16 CO -0.01 -0.34 0.73 0.00 0.04 0.00 0.00 177.00 177.42 1nui n ASP 18 N 3.90 0.63 0.00 0.00 5.68 -1.26 -3.34 116.55 122.17 1nui n ASP 18 Ca -0.00 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 1nui n ASP 18 Cb 0.51 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1nui n ASP 18 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1nui n ASN 19 N -0.49 0.00 0.03 -1.12 2.85 -1.26 -4.76 115.26 110.51 1nui n ASN 19 Ca 0.21 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.80 1nui n ASN 19 Cb 0.21 0.00 0.56 0.00 1.24 0.00 0.00 39.78 41.79 1nui n ASN 19 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nui n GLY 21 N -1.55 1.14 0.00 0.00 0.00 -1.21 -5.04 105.19 98.54 1nui n GLY 21 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1nui n GLY 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nui n SER 22 N 0.91 0.00 -0.01 1.61 3.41 -1.26 -4.91 113.62 113.37 1nui n SER 22 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1nui n SER 22 Cb 0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1nui n SER 22 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nui n SER 23 N 0.00 0.36 0.00 4.04 7.64 -1.26 -3.95 113.62 120.45 1nui n SER 23 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1nui n SER 23 Cb 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1nui n SER 23 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nui n ASP 24 N -3.20 1.12 0.00 6.43 9.92 -1.26 -2.64 116.55 126.92 1nui n ASP 24 Ca -0.05 -1.45 0.10 0.00 -0.53 0.00 0.00 54.79 52.86 1nui n ASP 24 Cb 0.46 0.00 0.54 0.00 -0.64 0.00 0.00 41.12 41.47 1nui n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nui n GLY 25 N -0.22 -0.84 3.59 0.44 0.00 -1.26 -4.36 105.19 102.53 1nui n GLY 25 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1nui n GLY 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nui s ASN 26 N -2.38 5.75 -0.08 1.61 3.04 -1.08 -1.72 114.94 120.08 1nui s ASN 26 Ca 0.23 0.01 -0.03 0.00 0.04 0.00 0.00 52.86 53.11 1nui s ASN 26 Cb 0.14 -2.03 -0.04 0.00 -1.54 0.00 0.00 41.25 37.78 1nui s ASN 26 CO 0.28 0.05 0.05 -0.44 -3.04 0.00 0.00 177.10 174.00 1nui s SER 27 N 1.15 5.60 -0.17 -4.21 0.01 -0.59 0.14 113.70 115.63 1nui s SER 27 Ca 0.06 0.23 -0.06 0.00 1.31 0.00 0.00 55.95 57.48 1nui s SER 27 Cb -0.14 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 1nui s SER 27 CO 0.05 0.37 0.04 -0.22 0.41 0.00 0.00 173.24 173.88 1nui s LEU 28 N -1.08 3.69 0.52 2.44 2.96 -0.71 -2.29 118.68 124.22 1nui s LEU 28 Ca 0.15 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1nui s LEU 28 Cb -0.12 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1nui s LEU 28 CO 0.05 0.18 0.27 -0.36 -1.32 0.00 0.00 176.35 175.17 1nui s PHE 29 N 0.31 1.77 0.07 5.38 0.40 -0.58 0.62 117.98 125.94 1nui s PHE 29 Ca 0.02 -0.86 -0.28 0.00 -0.60 0.00 0.00 56.93 55.21 1nui s PHE 29 Cb -0.13 -1.83 -0.14 0.00 0.51 0.00 0.00 43.02 41.44 1nui s PHE 29 CO 0.01 -0.21 1.44 0.77 0.70 0.00 0.00 175.22 177.92 1nui h SER 30 N 0.98 -1.10 -0.20 1.36 0.02 -0.06 -2.18 113.55 112.37 1nui h SER 30 Ca -0.39 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 60.69 1nui h SER 30 Cb 1.30 0.36 -0.04 0.00 0.14 0.00 0.00 62.40 64.17 1nui h SER 30 CO 0.63 -0.54 -0.00 0.47 -1.14 0.00 0.00 176.83 176.25 1nui n ASP 31 N -4.85 -0.03 0.00 3.07 8.00 -1.26 -4.58 116.55 116.89 1nui n ASP 31 Ca -0.10 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1nui n ASP 31 Cb 0.37 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1nui n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nui n GLY 32 N -1.10 0.94 3.90 0.44 0.00 -0.82 -4.85 105.19 103.70 1nui n GLY 32 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1nui n GLY 32 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nui s HIS 33 N -2.00 3.57 0.18 1.61 -3.43 -1.26 -4.21 115.29 109.74 1nui s HIS 33 Ca 0.00 0.95 0.02 0.00 -0.80 0.00 0.00 55.06 55.23 1nui s HIS 33 Cb 0.00 -2.41 -0.05 0.00 -1.43 0.00 0.00 32.58 28.69 1nui s HIS 33 CO 0.00 -0.36 -0.01 0.95 -2.00 0.00 0.00 174.74 173.32 1nui s THR 34 N -2.82 0.76 -0.03 -5.38 -4.23 -0.13 -1.52 115.64 102.30 1nui s THR 34 Ca 0.49 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1nui s THR 34 Cb -0.10 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.66 1nui s THR 34 CO 0.46 -0.49 0.02 0.12 -0.54 0.00 0.00 174.62 174.19 1nui s PHE 35 N -3.60 0.16 -0.39 3.99 5.36 -0.97 -2.23 117.98 120.30 1nui s PHE 35 Ca 0.23 0.10 -0.12 0.00 -0.96 0.00 0.00 56.93 56.18 1nui s PHE 35 Cb 0.06 -0.37 0.03 0.00 -0.34 0.00 0.00 43.02 42.40 1nui s PHE 35 CO 0.04 -0.13 0.24 0.00 -1.46 0.00 0.00 175.22 173.90 1nui h TYR 37 N 8.50 0.43 0.00 0.00 3.20 -1.66 1.59 116.97 129.02 1nui h TYR 37 Ca -0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1nui h TYR 37 Cb 1.11 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1nui h TYR 37 CO 0.57 0.21 0.00 0.28 -1.64 0.00 0.00 178.16 177.58 1nui n VAL 38 N -4.90 0.00 0.34 1.81 0.31 -1.26 -3.44 118.33 111.19 1nui n VAL 38 Ca 0.04 1.12 0.14 0.00 -0.01 0.00 0.00 64.34 65.62 1nui n VAL 38 Cb 0.13 -1.94 0.38 0.00 -0.91 0.00 0.00 33.84 31.50 1nui n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nui n GLU 40 N -2.82 -1.41 -3.96 0.00 1.02 0.54 -5.04 120.64 108.97 1nui n GLU 40 Ca 0.03 0.24 -0.36 0.00 -0.02 0.00 0.00 57.16 57.05 1nui n GLU 40 Cb 0.42 -3.66 -0.06 0.00 -0.02 0.00 0.00 31.44 28.12 1nui n GLU 40 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1nui s LYS 41 N -4.90 3.36 -0.30 3.49 2.20 -1.12 -4.85 119.74 117.61 1nui s LYS 41 Ca 0.09 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1nui s LYS 41 Cb -0.04 -3.10 0.09 0.00 -1.51 0.00 0.00 37.83 33.27 1nui s LYS 41 CO 0.11 0.74 0.08 -0.46 -0.36 0.00 0.00 175.35 175.46 1nui s TRP 42 N -1.09 1.89 0.06 4.03 -0.00 -1.26 -0.71 118.94 121.86 1nui s TRP 42 Ca 0.18 -1.78 0.08 0.00 -0.00 0.00 0.00 56.10 54.57 1nui s TRP 42 Cb -0.12 -1.76 -0.03 0.00 -0.00 0.00 0.00 33.47 31.55 1nui s TRP 42 CO 0.08 -0.86 -0.19 0.95 -0.00 0.00 0.00 176.95 176.93 1nui s THR 43 N 1.56 2.74 -0.56 5.86 -4.23 -0.95 -4.98 115.64 115.08 1nui s THR 43 Ca 0.08 -1.27 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 1nui s THR 43 Cb -0.17 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.64 1nui s THR 43 CO -0.21 0.29 0.41 0.00 -0.54 0.00 0.00 174.62 174.57 1nui s ALA 44 N -0.96 3.51 0.00 3.99 0.00 -1.26 -0.95 121.76 126.09 1nui s ALA 44 Ca 0.15 -2.86 0.00 0.00 0.00 0.00 0.00 51.96 49.25 1nui s ALA 44 Cb -0.10 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1nui s ALA 44 CO 0.06 -2.00 0.00 0.25 0.00 0.00 0.00 175.76 174.07 1nui n THR 49 N 4.31 0.00 0.23 0.00 -2.24 -1.26 -4.42 114.28 110.90 1nui n THR 49 Ca 0.01 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1nui n THR 49 Cb 0.41 0.00 0.87 0.00 -2.10 0.00 0.00 70.33 69.51 1nui n THR 49 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1nui h LYS 50 N 0.00 0.00 0.07 -0.78 1.63 -1.89 0.23 116.57 115.83 1nui h LYS 50 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nui h LYS 50 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1nui h LYS 50 CO 0.00 0.00 -0.03 1.49 -3.45 0.00 0.00 179.45 177.46 1nui h GLU 51 N 0.00 -0.09 -0.96 1.90 4.81 -1.95 -3.11 114.58 115.17 1nui h GLU 51 Ca 0.07 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.60 1nui h GLU 51 Cb 0.53 0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.75 1nui h GLU 51 CO -0.00 -0.06 0.11 -2.13 -0.73 0.00 0.00 179.01 176.20 1nui n ARG 52 N -4.08 -0.07 -0.35 1.92 0.63 -0.53 0.62 116.66 114.79 1nui n ARG 52 Ca -0.01 1.42 -0.02 0.00 -0.92 0.00 0.00 57.85 58.32 1nui n ARG 52 Cb 0.04 -2.31 0.10 0.00 0.45 0.00 0.00 32.46 30.74 1nui n ARG 52 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nui h ALA 53 N 1.93 1.21 0.48 5.13 0.00 -0.69 -3.05 119.26 124.27 1nui h ALA 53 Ca 0.63 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 1nui h ALA 53 Cb 1.39 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1nui h ALA 53 CO -0.88 0.57 -0.23 0.66 0.00 0.00 0.00 179.25 179.38 1nui h SER 54 N 1.26 -0.55 0.00 0.00 4.64 0.26 -2.76 113.55 116.40 1nui h SER 54 Ca 0.35 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1nui h SER 54 Cb -0.12 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1nui h SER 54 CO -0.08 -0.37 0.00 0.29 -0.87 0.00 0.00 176.83 175.79 1nui n LYS 55 N -5.36 0.00 0.00 4.77 5.02 -1.09 0.55 118.16 122.05 1nui n LYS 55 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1nui n LYS 55 Cb 0.28 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1nui n LYS 55 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1nui n ARG 56 N -0.23 0.40 -2.16 1.97 3.00 -1.04 -5.06 116.66 113.55 1nui n ARG 56 Ca 0.00 -0.53 -0.42 0.00 -0.00 0.00 0.00 57.85 56.89 1nui n ARG 56 Cb 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 32.46 31.76 1nui n ARG 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1nui s LYS 57 N -0.19 4.21 1.01 -0.14 2.20 0.19 -4.99 119.74 122.03 1nui s LYS 57 Ca 0.00 2.01 -0.12 0.00 -0.36 0.00 0.00 55.97 57.50 1nui s LYS 57 Cb 0.00 -3.86 0.19 0.00 -1.51 0.00 0.00 37.83 32.66 1nui s LYS 57 CO 0.00 -0.77 1.08 -1.25 -0.36 0.00 0.00 175.35 174.05 1nui s PRO 58 N 3.63 0.35 0.00 4.03 0.04 -1.26 -5.03 135.00 136.76 1nui s PRO 58 Ca 0.67 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1nui s PRO 58 Cb -0.30 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1nui s PRO 58 CO 0.25 -2.85 0.00 -1.13 0.04 0.00 0.00 177.00 173.31 1nui n SER 59 N -4.29 0.00 -0.19 6.66 3.41 -1.26 -5.16 113.62 112.79 1nui n SER 59 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1nui n SER 59 Cb 0.55 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1nui n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nui n GLY 60 N 0.00 -1.89 0.00 5.00 0.00 -1.26 -5.04 105.19 102.00 1nui n GLY 60 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1nui n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nui n GLY 61 N -0.03 4.07 3.66 -0.02 0.00 -1.26 -5.01 105.19 106.61 1nui n GLY 61 Ca 0.00 -1.21 -0.54 0.00 0.00 0.00 0.00 46.02 44.27 1nui n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nui n LYS 62 N 0.00 1.46 -1.63 1.61 3.00 -1.26 -4.88 118.16 116.47 1nui n LYS 62 Ca 0.00 0.52 -0.44 0.00 -0.00 0.00 0.00 58.31 58.39 1nui n LYS 62 Cb 0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 35.03 32.69 1nui n LYS 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1nui n PRO 63 N 6.25 1.60 0.00 1.64 -0.04 -1.26 -2.27 135.00 140.93 1nui n PRO 63 Ca 0.28 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1nui n PRO 63 Cb 0.20 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1nui n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nui n GLY 64 N 1.08 2.95 3.73 0.55 0.00 -1.26 -5.05 105.19 107.19 1nui n GLY 64 Ca 0.08 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1nui n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nui s THR 65 N -2.60 2.64 0.46 2.61 -4.23 -0.96 -5.00 115.64 108.56 1nui s THR 65 Ca 0.00 0.28 -0.20 0.00 -1.18 0.00 0.00 61.69 60.59 1nui s THR 65 Cb 0.00 -2.74 -0.10 0.00 1.34 0.00 0.00 72.50 71.00 1nui s THR 65 CO 0.00 -0.20 0.98 -0.31 -0.54 0.00 0.00 174.62 174.55 1nui s TYR 66 N -2.29 3.25 0.29 3.99 2.02 -1.26 -4.91 117.35 118.44 1nui s TYR 66 Ca 0.70 1.58 -0.29 0.00 -0.37 0.00 0.00 57.07 58.68 1nui s TYR 66 Cb -0.24 -2.89 -0.09 0.00 -0.40 0.00 0.00 41.96 38.33 1nui s TYR 66 CO 0.47 -0.35 1.06 1.21 -1.57 0.00 0.00 175.55 176.38 1nui s ASN 67 N -2.31 7.27 0.23 2.29 2.47 -1.26 -0.48 114.94 123.14 1nui s ASN 67 Ca 0.63 2.18 -0.32 0.00 0.42 0.00 0.00 52.86 55.77 1nui s ASN 67 Cb -0.11 -2.62 -0.12 0.00 -1.45 0.00 0.00 41.25 36.95 1nui s ASN 67 CO 0.18 -0.14 1.64 0.52 -3.72 0.00 0.00 177.10 175.59 1nui n VAL 68 N 1.07 0.39 -2.39 -5.21 0.31 -1.26 -4.61 118.33 106.62 1nui n VAL 68 Ca -0.00 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.82 1nui n VAL 68 Cb 0.46 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 1nui n VAL 68 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1nui s TRP 69 N 0.68 3.44 -0.18 3.52 0.52 -1.26 -5.01 118.94 120.65 1nui s TRP 69 Ca 0.72 1.46 -0.18 0.00 0.02 0.00 0.00 56.10 58.12 1nui s TRP 69 Cb -0.54 -3.41 -0.04 0.00 -1.15 0.00 0.00 33.47 28.34 1nui s TRP 69 CO 0.39 -1.12 0.48 1.21 0.02 0.00 0.00 176.95 177.94 1nui s ASN 70 N 0.03 6.55 0.12 2.95 3.84 -1.26 -4.98 114.94 122.19 1nui s ASN 70 Ca 0.52 0.66 -0.33 0.00 0.21 0.00 0.00 52.86 53.93 1nui s ASN 70 Cb -0.32 -2.28 -0.11 0.00 -0.55 0.00 0.00 41.25 37.99 1nui s ASN 70 CO 0.37 -0.12 1.56 0.15 -2.79 0.00 0.00 177.10 176.27 1nui h PHE 71 N 7.30 -1.49 0.00 0.43 3.04 -1.96 -0.74 116.94 123.51 1nui h PHE 71 Ca -0.36 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.65 1nui h PHE 71 Cb 1.16 0.67 0.00 0.00 2.56 0.00 0.00 35.95 40.34 1nui h PHE 71 CO 0.68 -0.53 0.00 0.41 -2.02 0.00 0.00 178.31 176.84 1nui n GLY 72 N -1.44 -0.30 0.19 2.40 0.00 -1.26 -1.85 105.19 102.91 1nui n GLY 72 Ca -0.06 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1nui n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nui n GLU 73 N -1.23 1.00 0.00 1.61 1.02 -0.35 -4.70 120.64 117.99 1nui n GLU 73 Ca 0.01 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.19 1nui n GLU 73 Cb 0.02 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1nui n GLU 73 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1nui n SER 74 N -0.90 0.66 0.00 1.62 7.64 -0.77 -4.87 113.62 117.00 1nui n SER 74 Ca 0.10 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1nui n SER 74 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1nui n SER 74 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nui n ASN 75 N -0.09 -2.93 -4.61 6.43 3.02 -1.23 -1.71 115.26 114.14 1nui n ASN 75 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.09 1nui n ASN 75 Cb 0.22 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 1nui n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nui n GLY 76 N -2.77 0.12 3.14 7.41 0.00 -1.13 -4.52 105.19 107.45 1nui n GLY 76 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 1nui n GLY 76 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nui s ARG 77 N -0.97 0.48 -1.15 1.61 3.03 -0.55 -4.88 118.95 116.52 1nui s ARG 77 Ca 0.65 -0.20 -0.14 0.00 2.03 0.00 0.00 55.73 58.07 1nui s ARG 77 Cb -0.73 0.21 0.17 0.00 -1.03 0.00 0.00 34.95 33.58 1nui s ARG 77 CO 0.56 -0.11 1.36 0.71 -1.13 0.00 0.00 175.30 176.68 1nui s TYR 78 N -1.06 3.51 0.54 5.89 4.12 -1.26 -1.19 117.35 127.91 1nui s TYR 78 Ca -0.11 -2.07 -0.01 0.00 0.02 0.00 0.00 57.07 54.90 1nui s TYR 78 Cb -0.06 -4.27 0.02 0.00 -1.52 0.00 0.00 41.96 36.14 1nui s TYR 78 CO 0.02 -1.37 0.79 -1.54 0.02 0.00 0.00 175.55 173.47 1nui s SER 79 N 2.82 5.46 0.12 2.29 1.04 -1.26 -4.73 113.70 119.44 1nui s SER 79 Ca 0.40 0.27 -0.09 0.00 0.48 0.00 0.00 55.95 57.01 1nui s SER 79 Cb -0.04 -1.27 -0.06 0.00 0.10 0.00 0.00 66.02 64.75 1nui s SER 79 CO -0.02 -1.04 0.43 0.00 0.98 0.00 0.00 173.24 173.59 1nui s ALA 80 N -2.79 3.70 -0.98 5.32 0.00 -1.26 -4.38 121.76 121.36 1nui s ALA 80 Ca 0.54 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1nui s ALA 80 Cb -0.10 -2.29 0.18 0.00 0.00 0.00 0.00 23.12 20.91 1nui s ALA 80 CO 0.40 0.57 1.10 -0.51 0.00 0.00 0.00 175.76 177.32 1nui s LEU 81 N -2.19 5.62 0.16 0.00 1.43 0.49 -4.87 118.68 119.32 1nui s LEU 81 Ca 0.37 -2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 50.76 1nui s LEU 81 Cb -0.13 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.78 1nui s LEU 81 CO 0.20 -0.80 1.79 0.74 0.23 0.00 0.00 176.35 178.51 1nui h THR 82 N 5.11 1.14 0.00 5.49 2.02 -1.96 -0.12 112.91 124.59 1nui h THR 82 Ca 0.18 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1nui h THR 82 Cb 0.98 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1nui h THR 82 CO 1.03 0.14 0.00 0.00 0.37 0.00 0.00 175.52 177.06 1nui n ALA 83 N -2.24 2.08 0.00 6.16 0.00 -1.26 -2.47 120.51 122.78 1nui n ALA 83 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nui n ALA 83 Cb 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1nui n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nui n ARG 84 N -0.54 3.22 -0.76 0.00 5.12 -0.65 -5.03 116.66 118.02 1nui n ARG 84 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1nui n ARG 84 Cb 0.01 -0.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 1nui n ARG 84 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nui n GLY 85 N 0.92 0.56 3.57 -0.13 0.00 -0.15 -4.84 105.19 105.12 1nui n GLY 85 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1nui n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nui s ILE 86 N -2.00 3.78 0.61 -0.61 1.09 -0.81 -4.99 121.20 118.27 1nui s ILE 86 Ca 0.00 -0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 59.10 1nui s ILE 86 Cb 0.00 -2.57 0.05 0.00 -1.06 0.00 0.00 42.46 38.88 1nui s ILE 86 CO 0.00 0.58 0.86 -0.94 -0.10 0.00 0.00 174.94 175.34 1nui s SER 87 N -0.56 5.04 0.17 3.58 1.04 -1.26 -0.38 113.70 121.33 1nui s SER 87 Ca 0.08 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.42 1nui s SER 87 Cb -0.12 -0.79 0.08 0.00 0.10 0.00 0.00 66.02 65.28 1nui s SER 87 CO 0.02 -1.35 1.79 0.11 0.98 0.00 0.00 173.24 174.79 1nui h LYS 88 N -0.16 0.80 -0.93 4.02 1.57 -1.85 -1.60 116.57 118.41 1nui h LYS 88 Ca -0.42 -0.09 0.13 0.00 -1.87 0.00 0.00 60.65 58.41 1nui h LYS 88 Cb 1.30 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.37 1nui h LYS 88 CO 0.52 0.61 0.60 1.49 -0.57 0.00 0.00 179.45 182.09 1nui h GLU 89 N 0.78 0.79 0.11 3.15 4.81 -1.92 0.75 114.58 123.04 1nui h GLU 89 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1nui h GLU 89 Cb 0.03 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1nui h GLU 89 CO -0.03 0.52 -0.05 1.15 -0.73 0.00 0.00 179.01 179.87 1nui h THR 90 N 0.81 1.06 -0.69 0.32 2.02 -1.83 -2.67 112.91 111.93 1nui h THR 90 Ca 0.47 -1.25 0.14 0.00 0.77 0.00 0.00 66.41 66.54 1nui h THR 90 Cb 0.63 1.79 -0.10 0.00 -1.74 0.00 0.00 68.15 68.72 1nui h THR 90 CO -0.23 0.27 0.19 0.00 0.37 0.00 0.00 175.52 176.12 1nui h GLN 92 N 0.30 0.00 0.04 0.00 4.20 0.51 0.24 115.11 120.40 1nui h GLN 92 Ca 0.38 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.81 1nui h GLN 92 Cb 0.61 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1nui h GLN 92 CO -0.45 0.12 -1.52 0.87 -0.67 0.00 0.00 178.83 177.18 1nui h LYS 93 N 0.00 0.09 0.00 1.46 1.57 -0.60 -3.32 116.57 115.77 1nui h LYS 93 Ca -0.00 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1nui h LYS 93 Cb 0.22 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1nui h LYS 93 CO 0.02 0.84 -0.39 0.00 -0.57 0.00 0.00 179.45 179.34 1nui h ALA 94 N 0.79 0.75 -0.93 3.86 0.00 -1.04 -3.48 119.26 119.21 1nui h ALA 94 Ca -0.22 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1nui h ALA 94 Cb 1.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1nui h ALA 94 CO 0.11 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1nui n GLY 95 N 1.16 0.59 3.12 0.00 0.00 -0.36 -4.68 105.19 105.01 1nui n GLY 95 Ca 0.02 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1nui n GLY 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nui s TYR 96 N -2.16 2.78 0.34 1.61 5.04 -0.07 -2.06 117.35 122.82 1nui s TYR 96 Ca 0.00 -1.65 0.03 0.00 -2.44 0.00 0.00 57.07 53.01 1nui s TYR 96 Cb 0.00 -1.92 -0.04 0.00 0.35 0.00 0.00 41.96 40.35 1nui s TYR 96 CO 0.00 -0.81 0.13 1.67 -1.34 0.00 0.00 175.55 175.20 1nui s TRP 97 N 1.29 1.73 -0.04 4.97 1.48 -0.49 -4.34 118.94 123.53 1nui s TRP 97 Ca 0.05 -1.25 0.04 0.00 -1.06 0.00 0.00 56.10 53.88 1nui s TRP 97 Cb -0.13 -1.04 -0.03 0.00 -1.16 0.00 0.00 33.47 31.11 1nui s TRP 97 CO -0.13 -0.33 -0.13 0.42 -4.06 0.00 0.00 176.95 172.71 1nui s ILE 98 N -3.43 3.13 0.02 0.66 1.09 -0.33 0.24 121.20 122.59 1nui s ILE 98 Ca 0.32 -0.73 0.06 0.00 -1.10 0.00 0.00 60.65 59.20 1nui s ILE 98 Cb 0.05 -2.24 -0.02 0.00 -1.06 0.00 0.00 42.46 39.19 1nui s ILE 98 CO 0.16 0.57 -0.17 0.00 -0.10 0.00 0.00 174.94 175.40 1nui s ALA 99 N -0.76 1.41 -0.34 9.38 0.00 0.15 -1.48 121.76 130.11 1nui s ALA 99 Ca 0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1nui s ALA 99 Cb -0.11 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.79 1nui s ALA 99 CO 0.01 0.31 0.08 0.21 0.00 0.00 0.00 175.76 176.37 1nui s LYS 100 N -0.87 2.31 -0.04 0.00 2.20 -0.70 0.17 119.74 122.82 1nui s LYS 100 Ca 0.05 -1.43 0.01 0.00 -0.36 0.00 0.00 55.97 54.24 1nui s LYS 100 Cb -0.07 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1nui s LYS 100 CO 0.01 -0.77 -0.05 0.08 -0.36 0.00 0.00 175.35 174.26 1nui s VAL 101 N 1.24 0.54 -1.17 4.02 1.01 -0.18 -4.56 120.40 121.29 1nui s VAL 101 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1nui s VAL 101 Cb -0.21 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1nui s VAL 101 CO -0.02 0.22 0.44 0.47 0.00 0.00 0.00 175.10 176.21 1nui n ASP 102 N 3.92 -4.97 0.00 3.32 9.92 -1.26 -1.26 116.55 126.22 1nui n ASP 102 Ca -0.25 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.81 1nui n ASP 102 Cb 0.51 -3.83 0.00 0.00 -0.64 0.00 0.00 41.12 37.16 1nui n ASP 102 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nui n GLY 103 N -1.32 1.63 3.67 0.44 0.00 -1.26 -4.94 105.19 103.42 1nui n GLY 103 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1nui n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nui s VAL 104 N -0.37 2.01 -0.06 1.61 1.01 -0.39 -4.99 120.40 119.22 1nui s VAL 104 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1nui s VAL 104 Cb 0.00 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1nui s VAL 104 CO 0.00 -0.01 -0.22 -0.04 0.00 0.00 0.00 175.10 174.84 1nui s MET 105 N -4.96 2.56 0.04 2.72 -1.94 -1.26 -1.01 119.30 115.44 1nui s MET 105 Ca 0.66 -0.85 0.03 0.00 -1.71 0.00 0.00 55.69 53.82 1nui s MET 105 Cb -0.19 -2.23 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 1nui s MET 105 CO 0.58 0.44 -0.09 0.71 -0.01 0.00 0.00 175.02 176.65 1nui s TYR 106 N -0.29 0.77 -0.17 -0.03 1.51 0.13 -4.26 117.35 115.01 1nui s TYR 106 Ca 0.01 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1nui s TYR 106 Cb -0.13 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1nui s TYR 106 CO 0.03 -0.04 -0.02 -0.65 -1.11 0.00 0.00 175.55 173.75 1nui s GLN 107 N -1.24 3.66 -0.14 -0.62 -0.21 -0.08 0.32 119.66 121.35 1nui s GLN 107 Ca -0.05 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.82 1nui s GLN 107 Cb -0.08 -2.97 -0.00 0.00 1.00 0.00 0.00 33.01 30.96 1nui s GLN 107 CO 0.01 0.18 -0.16 0.08 -2.12 0.00 0.00 175.29 173.28 1nui s VAL 108 N 0.54 2.68 -0.47 1.09 1.01 0.14 -2.08 120.40 123.31 1nui s VAL 108 Ca -0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1nui s VAL 108 Cb -0.14 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 34.24 1nui s VAL 108 CO 0.02 0.52 0.34 0.00 0.00 0.00 0.00 175.10 175.99 1nui s ALA 109 N 0.68 3.39 -0.46 5.51 0.00 -0.44 -1.40 121.76 129.05 1nui s ALA 109 Ca -0.08 -2.54 -0.28 0.00 0.00 0.00 0.00 51.96 49.07 1nui s ALA 109 Cb -0.16 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 1nui s ALA 109 CO 0.02 -1.90 1.66 -0.51 0.00 0.00 0.00 175.76 175.02 1nui s ASP 110 N 2.67 5.89 -0.63 0.00 -0.00 -0.87 -1.97 116.67 121.75 1nui s ASP 110 Ca 0.06 0.78 -0.23 0.00 -0.00 0.00 0.00 52.55 53.16 1nui s ASP 110 Cb -0.26 -2.53 0.06 0.00 -0.00 0.00 0.00 42.92 40.19 1nui s ASP 110 CO -0.01 -1.80 0.95 -0.31 -0.00 0.00 0.00 175.17 174.00 1nui s TYR 111 N 6.92 2.70 0.28 4.23 1.51 0.94 -4.72 117.35 129.21 1nui s TYR 111 Ca 0.68 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 1nui s TYR 111 Cb -0.16 -4.22 -0.03 0.00 -0.11 0.00 0.00 41.96 37.43 1nui s TYR 111 CO 0.29 -1.57 0.45 1.03 -1.11 0.00 0.00 175.55 174.64 1nui s ARG 112 N 4.02 3.48 0.53 -0.62 0.52 -1.26 -1.30 118.95 124.32 1nui s ARG 112 Ca 0.24 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1nui s ARG 112 Cb -0.16 -2.77 0.11 0.00 0.52 0.00 0.00 34.95 32.64 1nui s ARG 112 CO 0.12 0.29 0.73 -0.40 0.02 0.00 0.00 175.30 176.07 1nui n ASP 113 N -1.41 1.04 0.10 0.23 5.75 -0.38 -4.24 116.55 117.64 1nui n ASP 113 Ca -0.06 -1.86 0.20 0.00 -0.01 0.00 0.00 54.79 53.06 1nui n ASP 113 Cb 0.56 -0.47 0.73 0.00 -1.03 0.00 0.00 41.12 40.91 1nui n ASP 113 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1nui h GLN 114 N 0.00 0.00 -0.55 0.11 1.08 -1.91 0.25 115.11 114.10 1nui h GLN 114 Ca -0.24 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.76 1nui h GLN 114 Cb 0.91 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.22 1nui h GLN 114 CO 0.26 0.00 0.16 0.09 -0.95 0.00 0.00 178.83 178.39 1nui n ASN 115 N -3.61 3.75 -2.21 1.46 3.02 -1.26 -4.92 115.26 111.49 1nui n ASN 115 Ca 0.07 -3.40 -0.21 0.00 -0.03 0.00 0.00 54.58 51.02 1nui n ASN 115 Cb 0.65 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1nui n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nui n GLY 116 N -0.67 0.08 3.67 7.41 0.00 0.08 -4.97 105.19 110.79 1nui n GLY 116 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 1nui n GLY 116 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nui s ASN 117 N -2.21 6.34 0.16 1.61 0.01 -1.26 -4.82 114.94 114.78 1nui s ASN 117 Ca 0.00 0.39 -0.32 0.00 -0.71 0.00 0.00 52.86 52.23 1nui s ASN 117 Cb 0.00 -2.19 -0.11 0.00 0.41 0.00 0.00 41.25 39.36 1nui s ASN 117 CO 0.00 -0.02 1.69 -0.63 -1.51 0.00 0.00 177.10 176.63 1nui s ILE 118 N 1.14 2.41 -0.17 0.60 1.01 -1.26 -1.24 121.20 123.69 1nui s ILE 118 Ca 0.15 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.98 1nui s ILE 118 Cb -0.14 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.10 1nui s ILE 118 CO 0.06 0.01 -0.17 0.52 0.00 0.00 0.00 174.94 175.36 1nui n VAL 119 N 4.20 0.94 -4.07 2.92 0.31 -0.42 -4.90 118.33 117.31 1nui n VAL 119 Ca 0.16 -0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 1nui n VAL 119 Cb 0.37 -1.30 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 1nui n VAL 119 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1nui s SER 120 N -5.92 0.05 0.02 4.52 1.04 -0.93 -0.88 113.70 111.60 1nui s SER 120 Ca -0.23 -1.10 -0.05 0.00 0.48 0.00 0.00 55.95 55.05 1nui s SER 120 Cb 0.07 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1nui s SER 120 CO 0.35 -0.95 0.09 -1.10 0.98 0.00 0.00 173.24 172.61 1nui s GLN 121 N -4.06 0.50 -0.17 4.02 -0.21 -0.69 -0.04 119.66 119.00 1nui s GLN 121 Ca 0.27 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 55.08 1nui s GLN 121 Cb 0.04 0.20 0.02 0.00 1.00 0.00 0.00 33.01 34.26 1nui s GLN 121 CO 0.08 -0.12 -0.17 0.21 -2.12 0.00 0.00 175.29 173.17 1nui s LYS 122 N -1.90 2.70 -0.10 2.91 2.20 -0.83 -2.19 119.74 122.52 1nui s LYS 122 Ca -0.11 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 1nui s LYS 122 Cb -0.05 -2.42 -0.02 0.00 -1.51 0.00 0.00 37.83 33.83 1nui s LYS 122 CO -0.01 -0.24 -0.14 0.08 -0.36 0.00 0.00 175.35 174.68 1nui s VAL 123 N 1.36 3.00 0.08 4.02 1.01 0.74 -1.32 120.40 129.28 1nui s VAL 123 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1nui s VAL 123 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1nui s VAL 123 CO -0.12 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.47 1nui s ARG 124 N 0.04 0.74 0.00 2.72 1.70 -0.88 -0.54 118.95 122.72 1nui s ARG 124 Ca -0.05 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 53.96 1nui s ARG 124 Cb -0.14 -0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.15 1nui s ARG 124 CO 0.04 -0.04 0.00 -0.40 -1.08 0.00 0.00 175.30 173.82 1nui n ASP 125 N 0.13 1.99 0.20 -2.89 5.75 -1.22 -0.90 116.55 119.61 1nui n ASP 125 Ca -0.14 -0.91 -0.17 0.00 -0.01 0.00 0.00 54.79 53.56 1nui n ASP 125 Cb 0.60 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.59 1nui n ASP 125 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1nui h LYS 126 N 0.00 -0.86 0.00 0.11 1.79 -1.96 0.12 116.57 115.77 1nui h LYS 126 Ca 0.00 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1nui h LYS 126 Cb 0.00 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1nui h LYS 126 CO 0.00 -0.57 0.00 -0.25 -1.08 0.00 0.00 179.45 177.55 1nui n ASP 127 N -5.53 0.00 -2.28 0.86 8.00 -1.26 -4.82 116.55 111.52 1nui n ASP 127 Ca -0.10 0.33 -0.04 0.00 0.71 0.00 0.00 54.79 55.69 1nui n ASP 127 Cb 0.44 -0.34 0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1nui n ASP 127 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nui n LYS 128 N -1.34 -0.84 -3.98 -1.24 5.02 0.41 -5.05 118.16 111.15 1nui n LYS 128 Ca 0.00 0.69 -0.34 0.00 -2.02 0.00 0.00 58.31 56.64 1nui n LYS 128 Cb 0.01 -3.52 -0.15 0.00 -0.02 0.00 0.00 35.03 31.35 1nui n LYS 128 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1nui s ASN 129 N -2.83 3.97 0.31 4.39 0.01 -1.26 -4.85 114.94 114.68 1nui s ASN 129 Ca 0.11 -0.46 -0.27 0.00 -0.71 0.00 0.00 52.86 51.52 1nui s ASN 129 Cb -0.01 -1.67 -0.09 0.00 0.41 0.00 0.00 41.25 39.89 1nui s ASN 129 CO 0.35 -0.01 1.01 -0.36 -1.51 0.00 0.00 177.10 176.57 1nui s PHE 130 N 1.41 3.64 -0.14 2.20 0.40 -1.26 -3.45 117.98 120.78 1nui s PHE 130 Ca 0.05 1.77 -0.09 0.00 -0.60 0.00 0.00 56.93 58.06 1nui s PHE 130 Cb -0.14 -3.07 0.05 0.00 0.51 0.00 0.00 43.02 40.37 1nui s PHE 130 CO -0.06 -0.10 0.35 0.21 0.70 0.00 0.00 175.22 176.32 1nui s LYS 131 N -1.78 0.34 0.26 0.44 2.20 0.29 -4.99 119.74 116.51 1nui s LYS 131 Ca 0.48 0.65 0.07 0.00 -0.36 0.00 0.00 55.97 56.81 1nui s LYS 131 Cb -0.25 0.00 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 1nui s LYS 131 CO 0.31 -0.13 0.21 0.99 -0.36 0.00 0.00 175.35 176.37 1nui s THR 132 N 1.07 4.42 0.04 3.43 2.01 -1.26 -0.18 115.64 125.17 1nui s THR 132 Ca -0.07 -1.38 -0.16 0.00 0.31 0.00 0.00 61.69 60.38 1nui s THR 132 Cb -0.08 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 69.05 1nui s THR 132 CO -0.08 -0.34 0.37 0.42 -0.69 0.00 0.00 174.62 174.30 1nui s THR 133 N -2.14 0.07 0.00 -0.82 -4.23 -0.93 -4.20 115.64 103.38 1nui s THR 133 Ca 0.34 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1nui s THR 133 Cb -0.08 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1nui s THR 133 CO 0.25 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1nui n GLY 134 N 0.54 -0.00 3.09 3.99 0.00 0.36 -1.70 105.19 111.47 1nui n GLY 134 Ca -0.19 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 1nui n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nui s SER 135 N -4.00 5.59 -1.31 1.61 0.01 -0.06 -4.76 113.70 110.79 1nui s SER 135 Ca 0.00 -3.38 -0.17 0.00 1.31 0.00 0.00 55.95 53.71 1nui s SER 135 Cb 0.00 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.38 1nui s SER 135 CO 0.00 -0.25 2.05 1.57 0.41 0.00 0.00 173.24 177.02 1nui n HIS 136 N 2.77 3.54 -0.59 2.43 -0.00 -1.26 -4.52 115.22 117.59 1nui n HIS 136 Ca 0.16 -2.70 -0.30 0.00 -0.00 0.00 0.00 57.72 54.88 1nui n HIS 136 Cb 0.37 -2.46 0.27 0.00 -0.00 0.00 0.00 29.99 28.17 1nui n HIS 136 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1nui s LYS 137 N 3.89 -2.41 0.28 1.57 1.02 -1.26 -4.88 119.74 117.95 1nui s LYS 137 Ca 0.51 0.08 -0.02 0.00 0.02 0.00 0.00 55.97 56.57 1nui s LYS 137 Cb 0.11 -1.44 0.40 0.00 -0.52 0.00 0.00 37.83 36.38 1nui s LYS 137 CO -0.01 -4.52 1.89 0.77 -0.92 0.00 0.00 175.35 172.56 1nui h SER 138 N -3.17 0.88 -0.16 2.83 0.02 -1.96 -2.59 113.55 109.40 1nui h SER 138 Ca -0.44 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1nui h SER 138 Cb 1.33 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1nui h SER 138 CO 0.30 0.74 0.00 -0.90 -1.14 0.00 0.00 176.83 175.83 1nui n ASP 139 N -4.34 1.25 -4.69 3.07 5.75 -1.26 -4.16 116.55 112.17 1nui n ASP 139 Ca 0.07 -2.06 -0.52 0.00 -0.01 0.00 0.00 54.79 52.26 1nui n ASP 139 Cb 0.13 -0.24 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 1nui n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nui n ALA 140 N 0.04 0.44 -3.61 2.12 0.00 -0.98 -4.89 120.51 113.63 1nui n ALA 140 Ca 0.06 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 1nui n ALA 140 Cb 0.24 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.16 1nui n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nui s LEU 141 N 3.98 1.52 0.01 0.00 1.43 -1.26 -1.07 118.68 123.29 1nui s LEU 141 Ca 0.96 -1.80 -0.34 0.00 -1.03 0.00 0.00 54.13 51.92 1nui s LEU 141 Cb -0.85 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 44.60 1nui s LEU 141 CO 0.58 -0.38 1.75 0.33 0.23 0.00 0.00 176.35 178.86 1nui n PHE 142 N 4.60 2.29 0.00 0.29 7.35 -1.19 -0.59 117.46 130.22 1nui n PHE 142 Ca 0.01 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1nui n PHE 142 Cb 0.40 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 37.62 1nui n PHE 142 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nui n GLY 143 N 3.98 3.38 0.37 7.13 0.00 -1.26 -1.02 105.19 117.77 1nui n GLY 143 Ca 0.20 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.56 1nui n GLY 143 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nui h LYS 144 N 2.47 0.05 0.00 1.61 3.64 -1.12 0.26 116.57 123.48 1nui h LYS 144 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nui h LYS 144 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1nui h LYS 144 CO 0.00 0.03 0.00 -2.39 -2.27 0.00 0.00 179.45 174.82 1nui n HIS 145 N -5.05 0.00 0.15 1.91 1.44 -1.26 -3.44 115.22 108.96 1nui n HIS 145 Ca 0.38 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.20 1nui n HIS 145 Cb 1.33 -0.44 0.02 0.00 0.12 0.00 0.00 29.99 31.02 1nui n HIS 145 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1nui h LEU 146 N 0.00 0.00 -8.01 2.39 3.38 -0.85 -3.47 115.31 108.75 1nui h LEU 146 Ca 0.00 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 1nui h LEU 146 Cb 0.23 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.64 1nui h LEU 146 CO 0.00 0.01 -0.84 0.26 0.09 0.00 0.00 178.44 177.96 1nui s TRP 147 N -3.34 2.08 -0.49 1.13 0.52 -1.22 -5.02 118.94 112.60 1nui s TRP 147 Ca 0.00 -1.01 -0.02 0.00 0.02 0.00 0.00 56.10 55.09 1nui s TRP 147 Cb 0.09 -1.49 0.22 0.00 -1.15 0.00 0.00 33.47 31.14 1nui s TRP 147 CO 0.78 -0.52 2.28 0.09 0.02 0.00 0.00 176.95 179.60 1nui n ASN 148 N 4.27 6.82 0.00 2.95 4.13 -1.26 -4.99 115.26 127.17 1nui n ASN 148 Ca -0.19 -3.33 0.00 0.00 1.68 0.00 0.00 54.58 52.74 1nui n ASN 148 Cb 0.51 -1.11 0.00 0.00 -1.54 0.00 0.00 39.78 37.64 1nui n ASN 148 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nui n GLY 149 N 0.20 -1.25 0.00 7.41 0.00 -1.26 -5.11 105.19 105.18 1nui n GLY 149 Ca 0.45 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1nui n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nui n GLY 150 N 0.00 0.80 0.09 -0.02 0.00 -1.24 -4.93 105.19 99.89 1nui n GLY 150 Ca 0.00 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 1nui n GLY 150 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nui h LYS 151 N 0.00 0.00 -5.12 1.61 3.11 -1.97 -3.35 116.57 110.84 1nui h LYS 151 Ca 0.00 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.50 1nui h LYS 151 Cb 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 31.08 1nui h LYS 151 CO 0.00 0.48 -0.72 0.15 -2.81 0.00 0.00 179.45 176.55 1nui s LYS 152 N -2.29 1.08 -0.06 1.90 1.02 -1.26 -1.62 119.74 118.51 1nui s LYS 152 Ca -0.21 -1.45 -0.02 0.00 0.02 0.00 0.00 55.97 54.31 1nui s LYS 152 Cb 0.04 -0.67 0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1nui s LYS 152 CO 0.39 0.09 0.13 -1.50 -0.92 0.00 0.00 175.35 173.54 1nui s ILE 153 N -3.22 -0.07 -0.15 2.17 2.07 -1.21 -4.35 121.20 116.44 1nui s ILE 153 Ca 0.16 0.21 -0.09 0.00 -1.41 0.00 0.00 60.65 59.52 1nui s ILE 153 Cb 0.02 -0.22 -0.05 0.00 0.13 0.00 0.00 42.46 42.34 1nui s ILE 153 CO 0.01 0.09 0.17 -0.69 -1.91 0.00 0.00 174.94 172.60 1nui s VAL 154 N 1.29 5.42 -0.54 4.00 1.01 -0.24 -1.70 120.40 129.65 1nui s VAL 154 Ca -0.08 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1nui s VAL 154 Cb -0.12 -3.47 0.14 0.00 0.00 0.00 0.00 36.38 32.93 1nui s VAL 154 CO -0.05 0.52 0.32 -0.69 0.00 0.00 0.00 175.10 175.20 1nui s VAL 155 N -0.33 3.20 0.55 2.92 1.01 -1.12 -1.10 120.40 125.54 1nui s VAL 155 Ca 0.13 -2.88 -0.09 0.00 0.00 0.00 0.00 61.98 59.13 1nui s VAL 155 Cb -0.12 -3.15 0.13 0.00 0.00 0.00 0.00 36.38 33.24 1nui s VAL 155 CO 0.02 -0.80 0.58 0.35 0.00 0.00 0.00 175.10 175.24 1nui n THR 156 N 3.60 0.00 -0.12 3.92 -2.24 -0.61 -1.84 114.28 116.98 1nui n THR 156 Ca 0.05 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 1nui n THR 156 Cb 0.37 -1.37 -0.11 0.00 -2.10 0.00 0.00 70.33 67.12 1nui n THR 156 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1nui n GLU 157 N -2.83 0.58 -4.35 -0.78 2.13 -1.23 -3.81 120.64 110.36 1nui n GLU 157 Ca 0.08 0.43 -0.28 0.00 0.66 0.00 0.00 57.16 58.05 1nui n GLU 157 Cb 0.28 -1.63 -0.11 0.00 0.27 0.00 0.00 31.44 30.25 1nui n GLU 157 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1nui s GLY 158 N -5.16 1.69 0.34 8.31 0.00 -1.26 -3.37 107.32 107.87 1nui s GLY 158 Ca -0.34 -1.48 0.15 0.00 0.00 0.00 0.00 44.72 43.05 1nui s GLY 158 CO 0.54 -1.48 1.65 0.83 0.00 0.00 0.00 173.10 174.64 1nui h GLU 159 N 3.41 0.27 -0.02 2.90 3.07 -1.94 0.22 114.58 122.48 1nui h GLU 159 Ca -0.48 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.26 1nui h GLU 159 Cb 1.19 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1nui h GLU 159 CO 0.47 0.18 -0.47 0.82 -1.40 0.00 0.00 179.01 178.62 1nui h ILE 160 N 0.28 1.34 -0.25 3.13 2.04 -1.98 0.19 117.51 122.26 1nui h ILE 160 Ca 0.74 -1.62 -0.11 0.00 1.00 0.00 0.00 64.86 64.87 1nui h ILE 160 Cb 1.72 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1nui h ILE 160 CO -0.63 0.47 -0.28 0.44 0.00 0.00 0.00 178.15 178.14 1nui h ASP 161 N 0.05 0.68 -0.72 1.72 3.45 -1.01 -0.38 116.42 120.20 1nui h ASP 161 Ca -0.00 -0.49 0.08 0.00 0.43 0.00 0.00 57.03 57.05 1nui h ASP 161 Cb 0.85 -0.19 -0.07 0.00 -0.56 0.00 0.00 39.33 39.36 1nui h ASP 161 CO 0.06 1.03 0.38 -0.03 -1.57 0.00 0.00 179.24 179.12 1nui h MET 162 N 0.34 0.65 -0.79 3.56 4.05 -0.87 -1.01 114.93 120.86 1nui h MET 162 Ca 0.03 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1nui h MET 162 Cb 0.85 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 1nui h MET 162 CO 0.07 0.43 0.48 -0.07 0.23 0.00 0.00 176.91 178.05 1nui h LEU 163 N 0.67 0.94 0.46 3.39 3.38 -0.25 -2.60 115.31 121.31 1nui h LEU 163 Ca 0.35 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1nui h LEU 163 Cb 0.31 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1nui h LEU 163 CO -0.24 0.72 -0.22 0.74 0.09 0.00 0.00 178.44 179.53 1nui h THR 164 N 1.07 0.54 -0.96 0.22 2.02 0.24 0.18 112.91 116.23 1nui h THR 164 Ca 0.28 -0.03 0.16 0.00 0.77 0.00 0.00 66.41 67.60 1nui h THR 164 Cb -0.05 0.56 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 1nui h THR 164 CO -0.05 0.00 0.61 0.58 0.37 0.00 0.00 175.52 177.03 1nui h VAL 165 N -0.64 0.79 -0.36 3.16 2.07 -1.35 -0.79 116.25 119.12 1nui h VAL 165 Ca -0.06 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1nui h VAL 165 Cb 0.49 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1nui h VAL 165 CO 0.10 0.14 0.05 0.24 0.02 0.00 0.00 177.57 178.12 1nui h MET 166 N 0.74 0.60 -0.01 1.57 2.07 -0.95 -1.53 114.93 117.42 1nui h MET 166 Ca 0.51 -0.16 0.02 0.00 -2.07 0.00 0.00 59.70 57.99 1nui h MET 166 Cb 0.80 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 30.42 1nui h MET 166 CO -0.27 0.67 -0.43 0.93 1.07 0.00 0.00 176.91 178.88 1nui h GLU 167 N 0.44 -0.51 -0.06 1.72 4.39 0.41 0.19 114.58 121.17 1nui h GLU 167 Ca 0.11 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1nui h GLU 167 Cb 0.37 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1nui h GLU 167 CO 0.01 -0.34 0.26 -0.07 -1.16 0.00 0.00 179.01 177.71 1nui h LEU 168 N -0.53 0.00 -2.08 1.33 3.38 -1.18 -0.14 115.31 116.09 1nui h LEU 168 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nui h LEU 168 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1nui h LEU 168 CO -0.29 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.24 1nui n GLN 169 N -3.10 1.72 -3.53 1.13 6.02 -0.52 -4.96 117.38 114.13 1nui n GLN 169 Ca -0.01 -1.68 -0.22 0.00 -0.01 0.00 0.00 57.00 55.08 1nui n GLN 169 Cb 0.33 -1.29 0.08 0.00 1.02 0.00 0.00 30.24 30.38 1nui n GLN 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1nui n ASP 170 N 0.77 -5.75 -2.33 1.08 4.64 0.14 -2.75 116.55 112.34 1nui n ASP 170 Ca 0.11 -0.52 -0.04 0.00 -1.38 0.00 0.00 54.79 52.95 1nui n ASP 170 Cb 0.40 -4.85 -0.00 0.00 -1.04 0.00 0.00 41.12 35.63 1nui n ASP 170 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nui n LYS 172 N -2.45 1.78 -4.01 0.00 5.02 -1.11 -4.97 118.16 112.42 1nui n LYS 172 Ca -0.05 -1.38 -0.12 0.00 -2.02 0.00 0.00 58.31 54.75 1nui n LYS 172 Cb 0.49 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 1nui n LYS 172 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1nui s TYR 173 N -2.17 0.38 -0.47 2.13 1.51 -1.26 -5.11 117.35 112.37 1nui s TYR 173 Ca 0.27 -0.39 -0.45 0.00 -1.01 0.00 0.00 57.07 55.49 1nui s TYR 173 Cb 0.20 -0.25 -0.19 0.00 -0.11 0.00 0.00 41.96 41.61 1nui s TYR 173 CO 0.40 -0.11 1.83 -2.30 -1.11 0.00 0.00 175.55 174.26 1nui n PRO 174 N 1.93 0.18 -3.73 -1.71 -0.02 -1.26 -4.94 135.00 125.46 1nui n PRO 174 Ca -0.21 0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.22 1nui n PRO 174 Cb 0.56 -1.62 -0.12 0.00 -0.02 0.00 0.00 33.50 32.31 1nui n PRO 174 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nui s VAL 175 N 4.31 -0.02 0.14 -1.45 1.01 -1.26 -1.08 120.40 122.05 1nui s VAL 175 Ca 1.10 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 63.15 1nui s VAL 175 Cb -1.42 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1nui s VAL 175 CO 0.73 0.03 0.05 0.68 0.00 0.00 0.00 175.10 176.59 1nui s VAL 176 N 0.97 0.24 0.51 2.92 -7.23 -0.26 -4.67 120.40 112.89 1nui s VAL 176 Ca -0.07 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1nui s VAL 176 Cb -0.07 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1nui s VAL 176 CO -0.07 -0.45 0.07 -0.55 -0.31 0.00 0.00 175.10 173.78 1nui s SER 177 N -3.08 4.21 -0.11 4.85 0.15 -0.19 -1.58 113.70 117.95 1nui s SER 177 Ca 0.24 -1.57 -0.05 0.00 0.70 0.00 0.00 55.95 55.27 1nui s SER 177 Cb 0.07 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 1nui s SER 177 CO 0.03 -0.87 0.09 -0.76 1.20 0.00 0.00 173.24 172.92 1nui s LEU 178 N -3.94 4.07 0.05 3.45 1.43 -1.22 -3.14 118.68 119.39 1nui s LEU 178 Ca 0.12 0.33 -0.33 0.00 -1.03 0.00 0.00 54.13 53.22 1nui s LEU 178 Cb 0.01 -1.98 -0.19 0.00 0.03 0.00 0.00 46.19 44.07 1nui s LEU 178 CO 0.07 0.39 1.48 1.23 0.23 0.00 0.00 176.35 179.74 1nui h GLY 179 N 5.14 -1.13 -4.58 -3.19 0.00 -1.42 -3.34 103.07 94.54 1nui h GLY 179 Ca -0.53 0.42 -0.68 0.00 0.00 0.00 0.00 47.33 46.54 1nui h GLY 179 CO 0.57 -0.41 0.34 1.42 0.00 0.00 0.00 176.54 178.46 1nui n HIS 180 N -5.53 3.12 -4.82 5.60 8.25 -1.26 -5.05 115.22 115.52 1nui n HIS 180 Ca -0.14 -2.65 0.00 0.00 -0.26 0.00 0.00 57.72 54.66 1nui n HIS 180 Cb 0.44 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1nui n HIS 180 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nui n GLY 181 N -0.60 -0.71 0.27 -1.41 0.00 -1.26 -3.66 105.19 97.83 1nui n GLY 181 Ca 0.50 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1nui n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nui h ALA 182 N -0.82 -0.24 -0.32 4.61 0.00 -1.94 -3.20 119.26 117.34 1nui h ALA 182 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1nui h ALA 182 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1nui h ALA 182 CO 0.00 -0.71 -0.42 0.66 0.00 0.00 0.00 179.25 178.78 1nui h SER 183 N -0.32 -1.42 0.00 0.00 4.64 -1.95 0.52 113.55 115.03 1nui h SER 183 Ca 0.09 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1nui h SER 183 Cb 0.45 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1nui h SER 183 CO -0.29 -0.30 0.04 0.00 -0.87 0.00 0.00 176.83 175.41 1nui n ALA 184 N -3.00 0.94 -0.15 5.18 0.00 -1.23 -3.88 120.51 118.39 1nui n ALA 184 Ca -0.03 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1nui n ALA 184 Cb 0.25 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1nui n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nui n ALA 185 N -1.54 0.04 -0.01 0.00 0.00 0.17 0.73 120.51 119.91 1nui n ALA 185 Ca -0.00 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 1nui n ALA 185 Cb 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 1nui n ALA 185 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nui h LYS 186 N 0.00 0.09 -0.41 0.00 3.64 -1.80 -2.67 116.57 115.41 1nui h LYS 186 Ca 0.17 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1nui h LYS 186 Cb 0.28 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1nui h LYS 186 CO -0.41 0.39 0.02 -0.22 -2.27 0.00 0.00 179.45 176.96 1nui h LYS 187 N -0.22 0.71 -0.53 1.90 3.64 0.02 0.11 116.57 122.20 1nui h LYS 187 Ca 0.01 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1nui h LYS 187 Cb 0.35 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1nui h LYS 187 CO 0.00 0.78 0.25 1.15 -2.27 0.00 0.00 179.45 179.36 1nui h THR 188 N 0.55 1.20 -0.25 1.00 2.02 -0.82 1.19 112.91 117.80 1nui h THR 188 Ca 0.12 -0.59 -0.17 0.00 0.77 0.00 0.00 66.41 66.54 1nui h THR 188 Cb 0.44 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1nui h THR 188 CO 0.02 0.23 -0.50 0.00 0.37 0.00 0.00 175.52 175.63 1nui h ALA 190 N 0.65 -0.34 -0.12 0.00 0.00 -0.50 0.27 119.26 119.22 1nui h ALA 190 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nui h ALA 190 Cb 1.11 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nui h ALA 190 CO 0.11 -0.70 0.15 0.00 0.00 0.00 0.00 179.25 178.82 1nui h ALA 191 N 0.41 1.67 -0.39 0.00 0.00 0.15 -1.44 119.26 119.67 1nui h ALA 191 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nui h ALA 191 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nui h ALA 191 CO 0.03 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.15 1nui n ASN 192 N -3.73 3.58 -0.18 0.00 3.02 -0.19 -4.67 115.26 113.10 1nui n ASN 192 Ca 0.00 -2.37 -0.01 0.00 -0.03 0.00 0.00 54.58 52.17 1nui n ASN 192 Cb 0.26 -0.40 0.08 0.00 -0.61 0.00 0.00 39.78 39.11 1nui n ASN 192 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1nui h TYR 193 N 2.43 -0.01 -0.41 3.10 3.20 0.62 -1.29 116.97 124.62 1nui h TYR 193 Ca 0.00 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1nui h TYR 193 Cb 1.08 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 39.35 1nui h TYR 193 CO 0.42 -0.12 -0.21 0.93 -1.64 0.00 0.00 178.16 177.53 1nui h GLU 194 N 0.13 -0.13 0.07 1.82 3.07 -1.83 -2.94 114.58 114.77 1nui h GLU 194 Ca 0.29 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1nui h GLU 194 Cb 0.44 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1nui h GLU 194 CO -0.46 -0.09 -0.03 -0.92 -1.40 0.00 0.00 179.01 176.11 1nui h TYR 195 N -0.14 -0.08 0.00 4.33 3.20 -1.64 -3.19 116.97 119.46 1nui h TYR 195 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1nui h TYR 195 Cb 0.44 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1nui h TYR 195 CO -0.45 -0.05 0.53 1.19 -1.64 0.00 0.00 178.16 177.74 1nui n PHE 196 N -2.26 0.07 -0.13 -3.82 0.99 -0.59 -1.66 117.46 110.07 1nui n PHE 196 Ca -0.01 0.03 0.05 0.00 -0.00 0.00 0.00 57.45 57.53 1nui n PHE 196 Cb 0.04 -0.14 0.26 0.00 -1.00 0.00 0.00 39.48 38.64 1nui n PHE 196 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1nui n ASP 197 N -1.49 3.87 -0.59 4.37 -0.08 -1.11 -3.59 116.55 117.92 1nui n ASP 197 Ca -0.00 -2.49 0.11 0.00 -1.51 0.00 0.00 54.79 50.90 1nui n ASP 197 Cb 0.54 -0.56 0.04 0.00 2.34 0.00 0.00 41.12 43.47 1nui n ASP 197 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nui n GLN 198 N 0.53 1.44 -4.59 -0.67 6.02 -0.66 -4.90 117.38 114.56 1nui n GLN 198 Ca 0.18 -1.18 -0.32 0.00 -0.01 0.00 0.00 57.00 55.67 1nui n GLN 198 Cb 0.79 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.46 1nui n GLN 198 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1nui s PHE 199 N -2.37 2.78 0.23 1.08 0.40 -1.24 -3.61 117.98 115.26 1nui s PHE 199 Ca 0.21 -0.10 0.30 0.00 -0.60 0.00 0.00 56.93 56.73 1nui s PHE 199 Cb 0.19 -1.58 1.31 0.00 0.51 0.00 0.00 43.02 43.45 1nui s PHE 199 CO 0.51 0.31 1.98 0.93 0.70 0.00 0.00 175.22 179.65 1nui h GLU 200 N 4.70 0.00 -4.64 0.44 5.08 -1.44 -3.46 114.58 115.27 1nui h GLU 200 Ca -0.48 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.62 1nui h GLU 200 Cb 1.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 1nui h GLU 200 CO 0.52 0.11 -0.63 -0.65 -1.00 0.00 0.00 179.01 177.35 1nui s GLN 201 N -3.82 1.17 -0.31 2.33 -0.21 -1.15 -4.67 119.66 113.00 1nui s GLN 201 Ca -0.00 -1.60 0.02 0.00 0.02 0.00 0.00 55.36 53.79 1nui s GLN 201 Cb 0.11 0.09 0.15 0.00 1.00 0.00 0.00 33.01 34.35 1nui s GLN 201 CO 0.58 -0.31 0.36 0.42 -2.12 0.00 0.00 175.29 174.22 1nui s ILE 202 N -3.99 -0.48 -1.23 1.08 1.01 -0.79 -3.32 121.20 113.48 1nui s ILE 202 Ca 0.34 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 1nui s ILE 202 Cb 0.07 -0.88 0.09 0.00 0.01 0.00 0.00 42.46 41.75 1nui s ILE 202 CO 0.09 -0.43 1.62 -0.63 0.00 0.00 0.00 174.94 175.59 1nui s ILE 203 N 2.17 4.27 -0.72 2.92 -1.09 -0.69 -2.74 121.20 125.31 1nui s ILE 203 Ca 0.12 -1.84 -0.25 0.00 -2.23 0.00 0.00 60.65 56.45 1nui s ILE 203 Cb -0.13 -5.11 -0.14 0.00 -1.58 0.00 0.00 42.46 35.49 1nui s ILE 203 CO -0.24 -1.93 2.41 0.18 -1.23 0.00 0.00 174.94 174.14 1nui n LEU 204 N 7.94 1.53 -3.87 2.97 4.77 -0.29 -2.77 117.00 127.27 1nui n LEU 204 Ca 0.43 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 55.08 1nui n LEU 204 Cb 0.46 -1.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.10 1nui n LEU 204 CO 0.72 -2.00 1.14 0.80 -1.33 0.00 0.00 177.39 176.72 1nui n MET 205 N 8.51 4.61 -2.21 3.23 1.56 -0.77 -3.15 117.12 128.91 1nui n MET 205 Ca 0.47 -4.60 -0.27 0.00 -0.27 0.00 0.00 57.70 53.03 1nui n MET 205 Cb 0.41 -2.48 0.05 0.00 2.15 0.00 0.00 33.22 33.35 1nui n MET 205 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 1nui s PHE 206 N -3.17 3.13 0.72 1.12 2.99 -1.26 -3.51 117.98 118.00 1nui s PHE 206 Ca 0.34 0.66 -0.17 0.00 0.00 0.00 0.00 56.93 57.75 1nui s PHE 206 Cb 0.09 -3.00 -0.11 0.00 0.00 0.00 0.00 43.02 40.00 1nui s PHE 206 CO 0.04 -1.14 -0.11 -0.25 -0.00 0.00 0.00 175.22 173.76 1nui n ASP 207 N -2.82 -3.56 -3.69 1.36 10.43 -1.26 -4.88 116.55 112.13 1nui n ASP 207 Ca 0.06 0.49 -0.41 0.00 2.57 0.00 0.00 54.79 57.51 1nui n ASP 207 Cb 0.59 -0.95 0.01 0.00 1.84 0.00 0.00 41.12 42.62 1nui n ASP 207 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 1nui n MET 208 N 1.02 5.11 -3.93 -1.24 1.56 0.17 -4.03 117.12 115.78 1nui n MET 208 Ca 0.06 -4.65 -0.09 0.00 -0.27 0.00 0.00 57.70 52.74 1nui n MET 208 Cb 0.51 -2.47 -0.03 0.00 2.15 0.00 0.00 33.22 33.38 1nui n MET 208 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1nui s ASP 209 N -1.55 -0.04 0.16 6.12 1.47 -1.26 -4.77 116.67 116.79 1nui s ASP 209 Ca 0.38 -0.91 -0.30 0.00 1.18 0.00 0.00 52.55 52.90 1nui s ASP 209 Cb 0.16 0.68 -0.06 0.00 -0.34 0.00 0.00 42.92 43.37 1nui s ASP 209 CO -0.07 -1.31 1.54 -0.08 0.68 0.00 0.00 175.17 175.93 1nui h GLU 210 N 2.11 -0.06 0.60 2.11 4.81 -1.98 1.61 114.58 123.80 1nui h GLU 210 Ca -0.25 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1nui h GLU 210 Cb 1.25 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1nui h GLU 210 CO 0.32 -0.04 -0.37 0.00 -0.73 0.00 0.00 179.01 178.20 1nui h ALA 211 N 0.47 -0.93 -0.80 2.92 0.00 -1.97 -1.84 119.26 117.10 1nui h ALA 211 Ca 0.16 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1nui h ALA 211 Cb 0.45 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1nui h ALA 211 CO -0.89 -1.04 0.43 0.78 0.00 0.00 0.00 179.25 178.53 1nui h GLY 212 N -0.92 1.26 1.88 0.00 0.00 -1.54 -0.23 103.07 103.52 1nui h GLY 212 Ca -0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1nui h GLY 212 CO 0.08 0.06 -0.13 3.21 0.00 0.00 0.00 176.54 179.76 1nui h ARG 213 N 0.69 0.15 -0.33 4.80 2.47 0.25 -1.84 114.38 120.56 1nui h ARG 213 Ca 0.41 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.97 1nui h ARG 213 Cb 0.46 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1nui h ARG 213 CO -0.29 0.28 -0.30 -0.22 0.56 0.00 0.00 179.97 180.00 1nui h LYS 214 N 0.14 0.78 -0.69 0.04 3.64 -0.21 -2.66 116.57 117.62 1nui h LYS 214 Ca 0.03 -0.41 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1nui h LYS 214 Cb 0.32 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1nui h LYS 214 CO 0.02 1.03 0.41 0.00 -2.27 0.00 0.00 179.45 178.65 1nui h ALA 215 N 0.74 0.91 -0.51 5.00 0.00 -0.56 -1.33 119.26 123.50 1nui h ALA 215 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nui h ALA 215 Cb 0.88 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1nui h ALA 215 CO 0.08 0.15 0.33 0.28 0.00 0.00 0.00 179.25 180.10 1nui h VAL 216 N 0.80 1.14 -0.13 0.00 2.07 -1.29 0.17 116.25 119.00 1nui h VAL 216 Ca 0.29 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1nui h VAL 216 Cb 0.08 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1nui h VAL 216 CO -0.13 0.13 -0.32 -0.08 0.02 0.00 0.00 177.57 177.19 1nui h GLU 217 N 0.69 -0.38 0.59 1.57 4.22 -1.00 -1.07 114.58 119.20 1nui h GLU 217 Ca 0.19 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.63 1nui h GLU 217 Cb -0.07 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1nui h GLU 217 CO -0.04 -0.25 -0.37 0.93 -2.18 0.00 0.00 179.01 177.10 1nui h GLU 218 N -0.40 -0.86 -0.49 1.92 4.39 -0.68 -3.09 114.58 115.36 1nui h GLU 218 Ca 0.10 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.92 1nui h GLU 218 Cb 0.55 0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 29.30 1nui h GLU 218 CO -0.35 -0.58 -0.51 0.00 -1.16 0.00 0.00 179.01 176.41 1nui h ALA 219 N -1.37 -0.59 -0.96 3.43 0.00 -0.61 0.24 119.26 119.41 1nui h ALA 219 Ca -0.08 0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1nui h ALA 219 Cb 0.72 1.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.39 1nui h ALA 219 CO 0.08 -0.96 -0.13 0.00 0.00 0.00 0.00 179.25 178.24 1nui n ALA 220 N -3.11 0.34 0.10 0.00 0.00 -0.41 -1.39 120.51 116.03 1nui n ALA 220 Ca -0.01 1.05 -0.16 0.00 0.00 0.00 0.00 53.44 54.31 1nui n ALA 220 Cb 0.34 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 1nui n ALA 220 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nui h GLN 221 N 0.00 -0.71 0.00 0.00 4.20 -0.86 -2.78 115.11 114.96 1nui h GLN 221 Ca 0.52 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.27 1nui h GLN 221 Cb 0.92 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1nui h GLN 221 CO -0.96 -0.47 0.00 -0.39 -0.67 0.00 0.00 178.83 176.34 1nui h VAL 222 N -0.74 0.00 -4.24 -0.54 -1.51 -1.17 -3.46 116.25 104.60 1nui h VAL 222 Ca -0.00 -0.58 -0.50 0.00 -1.23 0.00 0.00 66.70 64.39 1nui h VAL 222 Cb 0.75 1.58 0.07 0.00 -2.13 0.00 0.00 31.29 31.56 1nui h VAL 222 CO -0.30 0.00 0.38 -0.76 -1.23 0.00 0.00 177.57 175.65 1nui s LEU 223 N -6.18 3.40 -0.01 4.19 1.43 -0.55 -4.71 118.68 116.25 1nui s LEU 223 Ca 0.02 1.72 -0.37 0.00 -1.03 0.00 0.00 54.13 54.48 1nui s LEU 223 Cb 0.08 -4.52 -0.15 0.00 0.03 0.00 0.00 46.19 41.63 1nui s LEU 223 CO 0.56 -1.17 1.56 -2.65 0.23 0.00 0.00 176.35 174.88 1nui n PRO 224 N -2.32 1.50 -1.93 1.29 -0.02 -1.26 -4.90 135.00 127.36 1nui n PRO 224 Ca 0.08 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 1nui n PRO 224 Cb 0.53 -2.25 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1nui n PRO 224 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nui s ALA 225 N 1.82 3.43 0.00 3.55 0.00 -1.26 -3.18 121.76 126.11 1nui s ALA 225 Ca 0.88 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1nui s ALA 225 Cb -0.89 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1nui s ALA 225 CO 0.50 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1nui n GLY 226 N 0.61 2.69 0.01 0.00 0.00 -1.26 -4.84 105.19 102.40 1nui n GLY 226 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1nui n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nui n LYS 227 N -2.00 0.61 -0.46 1.61 5.02 -1.19 -5.01 118.16 116.74 1nui n LYS 227 Ca 0.00 -0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 55.83 1nui n LYS 227 Cb 0.00 -1.48 0.24 0.00 -0.02 0.00 0.00 35.03 33.77 1nui n LYS 227 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nui n VAL 228 N -2.18 0.00 -3.65 -0.18 0.31 -1.26 -1.89 118.33 109.49 1nui n VAL 228 Ca -0.03 -0.29 -0.03 0.00 -0.01 0.00 0.00 64.34 63.98 1nui n VAL 228 Cb 0.52 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.52 1nui n VAL 228 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1nui s ARG 229 N -4.24 0.13 -0.14 5.55 0.52 -1.11 -4.72 118.95 114.94 1nui s ARG 229 Ca 0.62 0.17 0.01 0.00 -0.52 0.00 0.00 55.73 56.02 1nui s ARG 229 Cb -0.17 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.35 1nui s ARG 229 CO 0.61 -0.02 -0.18 0.08 0.02 0.00 0.00 175.30 175.81 1nui s VAL 230 N 0.30 2.48 0.43 3.52 1.01 -1.26 -1.14 120.40 125.74 1nui s VAL 230 Ca 0.03 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 1nui s VAL 230 Cb -0.04 -2.02 -0.11 0.00 0.00 0.00 0.00 36.38 34.21 1nui s VAL 230 CO -0.13 0.53 0.96 0.00 0.00 0.00 0.00 175.10 176.46 1nui s ALA 231 N 0.65 3.02 -0.25 5.51 0.00 -1.19 -5.03 121.76 124.48 1nui s ALA 231 Ca -0.09 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 1nui s ALA 231 Cb -0.16 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 19.87 1nui s ALA 231 CO 0.02 0.06 0.05 0.08 0.00 0.00 0.00 175.76 175.97 1nui s VAL 232 N -2.12 0.86 -0.09 0.00 1.01 -1.26 -4.86 120.40 113.94 1nui s VAL 232 Ca 0.62 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1nui s VAL 232 Cb -0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1nui s VAL 232 CO 0.15 -0.39 0.12 -0.76 0.00 0.00 0.00 175.10 174.22 1nui s LEU 233 N 1.67 4.22 0.00 3.92 1.43 -1.26 -4.96 118.68 123.70 1nui s LEU 233 Ca 0.03 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 1nui s LEU 233 Cb -0.17 -2.13 0.40 0.00 0.03 0.00 0.00 46.19 44.32 1nui s LEU 233 CO -0.15 0.37 0.87 -0.81 0.23 0.00 0.00 176.35 176.86 1nui n PRO 234 N 1.79 0.51 -3.10 1.29 -0.04 -1.26 -4.74 135.00 129.45 1nui n PRO 234 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 1nui n PRO 234 Cb 0.54 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1nui n PRO 234 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nui h LYS 236 N 0.00 -0.65 -4.01 0.00 3.11 -1.86 -3.42 116.57 109.74 1nui h LYS 236 Ca -0.15 0.04 -0.19 0.00 -2.81 0.00 0.00 60.65 57.55 1nui h LYS 236 Cb 0.55 0.15 -0.09 0.00 -1.00 0.00 0.00 32.23 31.84 1nui h LYS 236 CO 0.24 -0.39 -0.23 0.16 -2.81 0.00 0.00 179.45 176.42 1nui s ASP 237 N -4.66 0.42 0.27 4.20 1.47 -1.26 0.41 116.67 117.53 1nui s ASP 237 Ca -0.16 -1.26 -0.05 0.00 1.18 0.00 0.00 52.55 52.25 1nui s ASP 237 Cb 0.03 0.59 0.51 0.00 -0.34 0.00 0.00 42.92 43.72 1nui s ASP 237 CO 0.60 -1.17 1.60 0.00 0.68 0.00 0.00 175.17 176.88 1nui h ALA 238 N 2.24 0.84 -0.23 2.11 0.00 -1.91 0.41 119.26 122.72 1nui h ALA 238 Ca -0.29 0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1nui h ALA 238 Cb 1.25 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1nui h ALA 238 CO 0.40 -0.46 -0.33 -0.97 0.00 0.00 0.00 179.25 177.89 1nui h ASN 239 N 0.05 0.50 -0.21 0.00 -0.00 -1.88 0.52 115.58 114.56 1nui h ASN 239 Ca 0.47 -0.20 0.04 0.00 -0.00 0.00 0.00 56.30 56.61 1nui h ASN 239 Cb 0.85 -0.14 -0.04 0.00 -0.00 0.00 0.00 38.32 38.99 1nui h ASN 239 CO -0.80 0.80 -0.03 -0.08 -0.00 0.00 0.00 177.43 177.32 1nui h GLU 240 N 0.42 0.03 0.84 6.67 4.57 -0.68 0.68 114.58 127.11 1nui h GLU 240 Ca 0.05 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1nui h GLU 240 Cb 0.78 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1nui h GLU 240 CO 0.06 0.02 -0.48 0.00 -1.18 0.00 0.00 179.01 177.44 1nui h HIS 242 N -1.22 0.00 -0.54 0.00 -0.00 -0.36 2.39 115.15 115.43 1nui h HIS 242 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1nui h HIS 242 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 1nui h HIS 242 CO -0.06 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.15 1nui n LEU 243 N -3.60 3.47 -2.65 0.26 4.77 0.18 -4.12 117.00 115.32 1nui n LEU 243 Ca 0.25 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 1nui n LEU 243 Cb 1.41 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 42.09 1nui n LEU 243 CO 0.31 0.70 0.03 0.59 -1.33 0.00 0.00 177.39 177.69 1nui n ASN 244 N 0.99 1.37 0.00 -1.43 5.03 0.81 -5.00 115.26 117.02 1nui n ASN 244 Ca 0.20 -2.02 0.00 0.00 0.87 0.00 0.00 54.58 53.62 1nui n ASN 244 Cb 0.61 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 1nui n ASN 244 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nui n GLY 245 N -0.49 0.00 0.31 7.41 0.00 -1.17 -4.75 105.19 106.49 1nui n GLY 245 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nui n GLY 245 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nui n HIS 246 N -1.23 0.00 -0.25 1.61 8.25 -1.17 -3.96 115.22 118.47 1nui n HIS 246 Ca 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.72 1nui n HIS 246 Cb 0.00 -0.03 0.63 0.00 1.12 0.00 0.00 29.99 31.70 1nui n HIS 246 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1nui h ASP 247 N 0.28 0.20 -0.39 0.41 3.45 -1.86 -0.73 116.42 117.78 1nui h ASP 247 Ca 0.00 0.03 0.08 0.00 0.43 0.00 0.00 57.03 57.57 1nui h ASP 247 Cb 0.17 -0.01 -0.09 0.00 -0.56 0.00 0.00 39.33 38.85 1nui h ASP 247 CO 0.00 0.06 -0.20 -0.09 -1.57 0.00 0.00 179.24 177.44 1nui h ARG 248 N 0.19 -0.12 0.00 3.56 2.43 -1.99 0.40 114.38 118.85 1nui h ARG 248 Ca 0.49 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.61 1nui h ARG 248 Cb 1.60 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.17 1nui h ARG 248 CO -0.11 -0.08 -0.28 0.93 -1.51 0.00 0.00 179.97 178.92 1nui h GLU 249 N -0.13 0.00 0.04 0.20 3.07 -1.48 0.15 114.58 116.44 1nui h GLU 249 Ca 0.19 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1nui h GLU 249 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1nui h GLU 249 CO -0.47 0.28 -0.02 0.82 -1.40 0.00 0.00 179.01 178.21 1nui h ILE 250 N 0.00 1.30 -0.69 3.13 2.04 -1.08 -2.58 117.51 119.63 1nui h ILE 250 Ca -0.00 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1nui h ILE 250 Cb 0.80 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 1nui h ILE 250 CO 0.04 0.29 0.45 0.24 0.00 0.00 0.00 178.15 179.17 1nui h MET 251 N -0.58 0.87 -0.61 2.37 2.86 -0.84 -1.43 114.93 117.58 1nui h MET 251 Ca -0.01 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.72 1nui h MET 251 Cb 0.52 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1nui h MET 251 CO 0.01 0.58 0.42 0.93 1.06 0.00 0.00 176.91 179.91 1nui h GLU 252 N 0.90 0.20 -0.02 1.72 5.08 -0.65 -1.61 114.58 120.20 1nui h GLU 252 Ca 0.26 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1nui h GLU 252 Cb -0.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1nui h GLU 252 CO -0.07 0.13 -0.07 1.04 -1.00 0.00 0.00 179.01 179.04 1nui n GLN 253 N -4.43 1.77 0.01 2.33 6.02 -0.83 -4.47 117.38 117.77 1nui n GLN 253 Ca 0.11 -1.57 0.12 0.00 -0.01 0.00 0.00 57.00 55.65 1nui n GLN 253 Cb 0.53 -1.39 0.19 0.00 1.02 0.00 0.00 30.24 30.60 1nui n GLN 253 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1nui n VAL 254 N 0.93 0.05 0.03 5.09 0.31 -0.60 -4.97 118.33 119.16 1nui n VAL 254 Ca 0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1nui n VAL 254 Cb 0.49 0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 1nui n VAL 254 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30