#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mri s VAL 2 N 0.00 5.04 0.07 2.53 -7.23 -0.76 -4.99 120.40 115.06 1mri s VAL 2 Ca 0.00 0.04 0.06 0.00 -1.81 0.00 0.00 61.98 60.28 1mri s VAL 2 Cb 0.00 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1mri s VAL 2 CO 0.00 0.56 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.79 1mri s SER 3 N -0.51 4.29 0.03 4.85 0.01 -1.26 -0.16 113.70 120.95 1mri s SER 3 Ca 0.11 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1mri s SER 3 Cb -0.12 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 1mri s SER 3 CO 0.02 0.22 -0.07 0.12 0.41 0.00 0.00 173.24 173.93 1mri s PHE 4 N -1.10 0.62 -0.23 2.43 5.36 -0.41 -4.88 117.98 119.77 1mri s PHE 4 Ca 0.19 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1mri s PHE 4 Cb -0.11 -0.38 0.07 0.00 -0.34 0.00 0.00 43.02 42.26 1mri s PHE 4 CO 0.10 -0.05 0.01 1.03 -1.46 0.00 0.00 175.22 174.85 1mri s ARG 5 N -1.03 1.07 0.58 10.12 0.52 -1.26 -1.58 118.95 127.36 1mri s ARG 5 Ca -0.05 -0.78 0.31 0.00 -0.52 0.00 0.00 55.73 54.69 1mri s ARG 5 Cb -0.07 -2.31 1.76 0.00 0.52 0.00 0.00 34.95 34.85 1mri s ARG 5 CO 0.00 -0.68 2.20 -0.07 0.02 0.00 0.00 175.30 176.77 1mri h LEU 6 N 8.09 0.00 -8.94 2.53 -0.00 -1.60 -3.34 115.31 112.04 1mri h LEU 6 Ca -0.16 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.14 1mri h LEU 6 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.72 1mri h LEU 6 CO 0.39 0.04 1.27 -0.55 -0.00 0.00 0.00 178.44 179.59 1mri s SER 7 N -6.03 5.97 -0.44 -0.43 0.15 -1.26 -2.04 113.70 109.61 1mri s SER 7 Ca -0.04 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1mri s SER 7 Cb 0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1mri s SER 7 CO 0.54 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1mri n GLY 8 N 5.27 0.70 3.77 9.45 0.00 -1.26 -5.02 105.19 118.10 1mri n GLY 8 Ca 0.23 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1mri n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mri s ALA 9 N -2.14 3.47 0.36 4.61 0.00 -0.86 -5.02 121.76 122.17 1mri s ALA 9 Ca 0.00 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1mri s ALA 9 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1mri s ALA 9 CO 0.00 -0.55 0.24 0.16 0.00 0.00 0.00 175.76 175.62 1mri s ASP 10 N -0.58 2.05 0.48 0.00 1.47 -1.26 -5.03 116.67 113.80 1mri s ASP 10 Ca 0.48 -1.76 0.21 0.00 1.18 0.00 0.00 52.55 52.66 1mri s ASP 10 Cb -0.38 0.57 1.21 0.00 -0.34 0.00 0.00 42.92 43.98 1mri s ASP 10 CO 0.50 -1.05 2.02 -0.65 0.68 0.00 0.00 175.17 176.68 1mri h PRO 11 N 2.01 0.00 -0.02 2.11 0.11 -1.96 -2.70 132.00 131.56 1mri h PRO 11 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1mri h PRO 11 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1mri h PRO 11 CO 0.41 0.17 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.27 1mri h ARG 12 N 0.00 0.04 0.00 1.05 2.43 -1.96 -2.23 114.38 113.72 1mri h ARG 12 Ca -0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1mri h ARG 12 Cb 0.35 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1mri h ARG 12 CO 0.02 0.44 -0.43 0.66 -1.51 0.00 0.00 179.97 179.16 1mri h SER 13 N -0.36 0.00 -0.25 -3.80 4.64 -1.88 -0.15 113.55 111.75 1mri h SER 13 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 1mri h SER 13 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1mri h SER 13 CO 0.00 0.43 -0.35 0.22 -0.87 0.00 0.00 176.83 176.26 1mri h TYR 14 N 0.00 0.82 -0.52 4.77 3.20 -1.56 -1.88 116.97 121.80 1mri h TYR 14 Ca -0.00 -0.27 0.09 0.00 3.14 0.00 0.00 58.73 61.68 1mri h TYR 14 Cb 0.82 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 1mri h TYR 14 CO 0.00 1.03 0.10 0.78 -1.64 0.00 0.00 178.16 178.43 1mri h GLY 15 N 0.39 0.64 0.23 1.82 0.00 -0.53 0.93 103.07 106.54 1mri h GLY 15 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1mri h GLY 15 CO 0.08 -0.08 -0.16 -0.33 0.00 0.00 0.00 176.54 176.05 1mri h MET 16 N 0.24 -0.12 -0.19 4.80 2.86 -1.06 0.82 114.93 122.27 1mri h MET 16 Ca 0.26 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.94 1mri h MET 16 Cb 0.36 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1mri h MET 16 CO -0.34 -0.08 0.01 0.35 1.06 0.00 0.00 176.91 177.90 1mri h PHE 17 N -0.13 0.00 -0.11 -0.22 3.57 -0.78 0.16 116.94 119.43 1mri h PHE 17 Ca 0.15 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1mri h PHE 17 Cb 0.36 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1mri h PHE 17 CO -0.35 -0.02 -0.17 0.82 -2.23 0.00 0.00 178.31 176.36 1mri h ILE 18 N 0.07 1.18 -0.08 1.41 1.08 -0.36 -0.84 117.51 119.97 1mri h ILE 18 Ca 0.09 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1mri h ILE 18 Cb 0.11 1.29 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1mri h ILE 18 CO -0.15 0.25 0.00 0.50 -0.69 0.00 0.00 178.15 178.07 1mri h LYS 19 N 0.17 0.14 -0.87 2.37 1.63 -0.23 -2.04 116.57 117.74 1mri h LYS 19 Ca 0.03 -0.04 0.16 0.00 -0.85 0.00 0.00 60.65 59.95 1mri h LYS 19 Cb 0.41 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 31.93 1mri h LYS 19 CO 0.03 0.40 0.45 -0.44 -3.45 0.00 0.00 179.45 176.43 1mri h ASP 20 N -0.14 0.53 0.01 4.20 5.19 -0.19 -0.16 116.42 125.86 1mri h ASP 20 Ca 0.02 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1mri h ASP 20 Cb 0.33 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1mri h ASP 20 CO 0.00 0.20 -0.00 0.25 -3.12 0.00 0.00 179.24 176.57 1mri h LEU 21 N 0.61 -0.01 -0.77 1.55 5.85 -0.85 -2.26 115.31 119.44 1mri h LEU 21 Ca 0.49 -0.38 0.14 0.00 0.84 0.00 0.00 57.88 58.96 1mri h LEU 21 Cb 0.73 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 1mri h LEU 21 CO -0.39 0.38 0.33 0.03 -0.34 0.00 0.00 178.44 178.46 1mri h ARG 22 N -0.40 0.48 0.00 1.25 3.08 -1.13 -1.13 114.38 116.53 1mri h ARG 22 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1mri h ARG 22 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1mri h ARG 22 CO 0.00 0.32 0.00 0.09 -1.07 0.00 0.00 179.97 179.31 1mri n ASN 23 N -4.96 0.00 -0.03 7.04 5.03 -0.09 -2.48 115.26 119.77 1mri n ASN 23 Ca 0.14 -0.26 0.06 0.00 0.87 0.00 0.00 54.58 55.39 1mri n ASN 23 Cb 0.40 -0.12 -0.15 0.00 -1.02 0.00 0.00 39.78 38.89 1mri n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mri n ALA 24 N -1.12 2.47 -2.41 5.41 0.00 -0.43 -4.90 120.51 119.52 1mri n ALA 24 Ca 0.10 -0.62 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 1mri n ALA 24 Cb 0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1mri n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mri s LEU 25 N -4.56 4.16 0.59 0.00 1.43 -1.03 -5.00 118.68 114.26 1mri s LEU 25 Ca -0.08 1.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.52 1mri s LEU 25 Cb 0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1mri s LEU 25 CO 0.79 -0.79 1.07 -2.16 0.23 0.00 0.00 176.35 175.49 1mri s PRO 26 N 3.57 3.26 0.12 1.29 0.04 -1.26 -5.05 135.00 136.98 1mri s PRO 26 Ca 0.55 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1mri s PRO 26 Cb -0.21 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1mri s PRO 26 CO 0.16 -0.87 0.42 -0.59 0.04 0.00 0.00 177.00 176.15 1mri s PHE 27 N -2.30 -0.24 -0.20 0.56 -0.71 -1.26 -3.82 117.98 110.01 1mri s PHE 27 Ca 0.66 -0.04 0.01 0.00 -1.04 0.00 0.00 56.93 56.51 1mri s PHE 27 Cb -0.18 0.28 -0.13 0.00 -1.21 0.00 0.00 43.02 41.78 1mri s PHE 27 CO 0.35 -0.70 -0.18 -2.13 -1.34 0.00 0.00 175.22 171.22 1mri n ARG 28 N -0.16 0.50 -4.47 1.99 3.00 -1.25 -5.01 116.66 111.27 1mri n ARG 28 Ca -0.16 0.12 -0.25 0.00 -0.00 0.00 0.00 57.85 57.56 1mri n ARG 28 Cb 0.63 -1.40 -0.10 0.00 0.00 0.00 0.00 32.46 31.60 1mri n ARG 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mri s GLU 29 N -2.40 1.80 -0.07 -0.14 2.02 -1.26 -5.03 118.70 113.61 1mri s GLU 29 Ca -0.27 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 52.93 1mri s GLU 29 Cb 0.07 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 1mri s GLU 29 CO 0.46 0.26 -0.06 0.15 0.02 0.00 0.00 175.26 176.09 1mri s LYS 30 N -3.57 2.82 -0.33 1.61 1.02 -1.26 -0.76 119.74 119.28 1mri s LYS 30 Ca 0.31 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 1mri s LYS 30 Cb -0.02 -2.64 0.07 0.00 -0.52 0.00 0.00 37.83 34.72 1mri s LYS 30 CO 0.16 0.65 0.04 0.08 -0.92 0.00 0.00 175.35 175.37 1mri s VAL 31 N -0.78 2.98 -1.39 3.17 1.01 0.53 -4.57 120.40 121.35 1mri s VAL 31 Ca 0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 1mri s VAL 31 Cb -0.11 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1mri s VAL 31 CO 0.02 -0.27 0.51 -1.22 0.00 0.00 0.00 175.10 174.14 1mri n TYR 32 N 4.58 -1.70 -0.68 5.22 4.01 -1.26 -2.20 117.16 125.14 1mri n TYR 32 Ca -0.10 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 1mri n TYR 32 Cb 0.43 -4.08 0.00 0.00 -0.31 0.00 0.00 39.34 35.37 1mri n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mri n ASN 33 N -1.99 -1.21 -4.48 7.72 5.15 -1.26 -4.98 115.26 114.20 1mri n ASN 33 Ca -0.11 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.54 1mri n ASN 33 Cb 0.61 -0.20 -0.12 0.00 -0.53 0.00 0.00 39.78 39.53 1mri n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1mri s ILE 34 N -2.54 3.75 0.13 -1.44 1.01 -0.94 -4.98 121.20 116.19 1mri s ILE 34 Ca 0.00 -0.41 -0.35 0.00 0.00 0.00 0.00 60.65 59.89 1mri s ILE 34 Cb 0.00 -2.63 -0.15 0.00 0.01 0.00 0.00 42.46 39.69 1mri s ILE 34 CO 0.00 0.50 1.45 -2.65 0.00 0.00 0.00 174.94 174.24 1mri n PRO 35 N 3.49 1.67 -3.54 2.79 -0.02 -1.26 -0.35 135.00 137.78 1mri n PRO 35 Ca -0.17 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1mri n PRO 35 Cb 0.53 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1mri n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mri s LEU 36 N 0.68 4.02 0.43 2.45 2.96 0.06 -1.28 118.68 128.01 1mri s LEU 36 Ca 0.81 0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 54.55 1mri s LEU 36 Cb -0.81 -2.20 -0.08 0.00 0.50 0.00 0.00 46.19 43.60 1mri s LEU 36 CO 0.43 -0.08 1.09 -0.76 -1.32 0.00 0.00 176.35 175.70 1mri s LEU 37 N 1.84 4.06 0.71 -0.68 1.43 -0.30 -3.83 118.68 121.89 1mri s LEU 37 Ca 0.09 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.15 1mri s LEU 37 Cb -0.16 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.83 1mri s LEU 37 CO 0.11 -0.68 1.23 -0.76 0.23 0.00 0.00 176.35 176.48 1mri s LEU 38 N -2.89 3.39 0.22 1.79 1.43 -1.25 -4.09 118.68 117.28 1mri s LEU 38 Ca 0.61 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 56.18 1mri s LEU 38 Cb -0.23 -4.60 0.18 0.00 0.03 0.00 0.00 46.19 41.57 1mri s LEU 38 CO 0.29 -2.19 1.51 1.55 0.23 0.00 0.00 176.35 177.73 1mri h PRO 39 N -0.07 0.21 -2.93 1.29 0.13 -1.93 -3.43 132.00 125.28 1mri h PRO 39 Ca -0.48 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 1mri h PRO 39 Cb 1.31 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.32 1mri h PRO 39 CO 0.51 0.82 0.06 -1.54 -0.23 0.00 0.00 178.00 177.61 1mri s SER 40 N -6.90 -0.44 0.20 1.44 1.04 -1.26 -4.80 113.70 102.98 1mri s SER 40 Ca -0.03 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.51 1mri s SER 40 Cb 0.11 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 1mri s SER 40 CO 0.80 -0.80 -0.12 -0.69 0.98 0.00 0.00 173.24 173.41 1mri s VAL 41 N -3.00 1.58 0.02 5.02 1.01 -1.26 -5.09 120.40 118.69 1mri s VAL 41 Ca -0.02 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 59.79 1mri s VAL 41 Cb -0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1mri s VAL 41 CO -0.06 -0.60 -0.03 -0.44 0.00 0.00 0.00 175.10 173.97 1mri s SER 42 N -3.29 0.29 0.00 3.32 0.01 -1.26 -4.74 113.70 108.03 1mri s SER 42 Ca 0.22 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1mri s SER 42 Cb 0.01 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1mri s SER 42 CO 0.06 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1mri n GLY 43 N 1.54 -1.79 0.00 3.44 0.00 -1.26 -4.15 105.19 102.98 1mri n GLY 43 Ca -0.24 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.12 1mri n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mri n ALA 44 N 0.46 2.36 1.47 4.61 0.00 -1.26 -3.19 120.51 124.96 1mri n ALA 44 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.44 1mri n ALA 44 Cb 0.00 -1.40 0.63 0.00 0.00 0.00 0.00 19.45 18.68 1mri n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mri n GLY 45 N 0.65 -0.84 0.19 0.00 0.00 -1.26 -2.84 105.19 101.08 1mri n GLY 45 Ca 0.16 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1mri n GLY 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1mri h ARG 46 N 0.70 0.00 -5.43 1.61 2.43 -1.77 -3.45 114.38 108.47 1mri h ARG 46 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 1mri h ARG 46 Cb 0.34 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.62 1mri h ARG 46 CO 0.00 0.00 -0.78 0.71 -1.51 0.00 0.00 179.97 178.39 1mri s TYR 47 N -3.40 2.76 -0.09 2.20 2.02 -1.13 -0.19 117.35 119.52 1mri s TYR 47 Ca 0.04 -0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 1mri s TYR 47 Cb 0.09 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1mri s TYR 47 CO 0.50 -0.20 0.09 -1.17 -1.57 0.00 0.00 175.55 173.21 1mri s LEU 48 N 0.23 4.08 -0.26 -1.29 2.96 0.83 -4.89 118.68 120.35 1mri s LEU 48 Ca -0.10 0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 54.07 1mri s LEU 48 Cb -0.16 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1mri s LEU 48 CO 0.06 0.38 0.08 -0.76 -1.32 0.00 0.00 176.35 174.79 1mri s LEU 49 N -1.10 3.58 -0.22 -0.68 1.02 -1.26 0.24 118.68 120.26 1mri s LEU 49 Ca 0.16 -0.30 -0.13 0.00 0.02 0.00 0.00 54.13 53.88 1mri s LEU 49 Cb -0.12 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 1mri s LEU 49 CO 0.05 -0.07 0.29 -0.04 0.02 0.00 0.00 176.35 176.60 1mri s MET 50 N 1.61 4.11 -0.37 1.70 -1.94 0.25 -1.83 119.30 122.83 1mri s MET 50 Ca 0.06 -0.02 -0.17 0.00 -1.71 0.00 0.00 55.69 53.86 1mri s MET 50 Cb -0.16 -3.55 0.00 0.00 2.01 0.00 0.00 34.83 33.14 1mri s MET 50 CO 0.04 -0.02 0.43 -1.01 -0.01 0.00 0.00 175.02 174.45 1mri s HIS 51 N 1.27 3.18 -0.13 -0.03 0.09 0.78 -0.49 115.29 119.97 1mri s HIS 51 Ca 0.14 -0.10 -0.04 0.00 -0.00 0.00 0.00 55.06 55.06 1mri s HIS 51 Cb -0.14 -2.82 -0.03 0.00 -0.00 0.00 0.00 32.58 29.58 1mri s HIS 51 CO 0.07 -0.56 0.00 -0.51 -0.00 0.00 0.00 174.74 173.74 1mri s LEU 52 N 2.17 3.54 -0.06 0.89 1.02 0.39 -1.29 118.68 125.33 1mri s LEU 52 Ca 0.14 0.04 0.06 0.00 0.02 0.00 0.00 54.13 54.39 1mri s LEU 52 Cb -0.16 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.19 1mri s LEU 52 CO 0.13 0.26 -0.24 -0.36 0.02 0.00 0.00 176.35 176.16 1mri s PHE 53 N -0.17 2.47 0.92 0.29 0.40 -0.61 -1.01 117.98 120.26 1mri s PHE 53 Ca 0.05 -0.64 -0.13 0.00 -0.60 0.00 0.00 56.93 55.61 1mri s PHE 53 Cb -0.12 -1.60 0.19 0.00 0.51 0.00 0.00 43.02 41.99 1mri s PHE 53 CO 0.02 -0.16 1.27 0.54 0.70 0.00 0.00 175.22 177.58 1mri s ASN 54 N -0.23 3.31 0.55 1.36 4.22 0.11 -1.85 114.94 122.41 1mri s ASN 54 Ca -0.01 0.13 0.22 0.00 -2.14 0.00 0.00 52.86 51.06 1mri s ASN 54 Cb -0.13 -0.22 1.51 0.00 1.28 0.00 0.00 41.25 43.69 1mri s ASN 54 CO 0.03 -2.59 2.19 0.03 -2.04 0.00 0.00 177.10 174.71 1mri h ARG 55 N -1.45 0.00 -0.12 3.55 3.08 -1.87 0.17 114.38 117.74 1mri h ARG 55 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1mri h ARG 55 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1mri h ARG 55 CO 0.38 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.03 1mri n ASP 56 N -4.23 1.43 0.00 7.04 8.00 -1.26 -4.60 116.55 122.93 1mri n ASP 56 Ca -0.03 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1mri n ASP 56 Cb 0.11 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1mri n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mri n GLY 57 N 1.10 0.45 3.86 0.44 0.00 0.61 -5.03 105.19 106.63 1mri n GLY 57 Ca 0.17 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1mri n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mri s LYS 58 N -1.77 3.88 0.03 1.61 3.01 -1.26 -4.83 119.74 120.42 1mri s LYS 58 Ca 0.00 0.58 0.04 0.00 -1.01 0.00 0.00 55.97 55.58 1mri s LYS 58 Cb 0.00 -2.38 -0.02 0.00 -1.01 0.00 0.00 37.83 34.42 1mri s LYS 58 CO 0.00 0.02 -0.12 -0.08 0.51 0.00 0.00 175.35 175.68 1mri s THR 59 N -2.25 0.90 0.15 2.17 -1.32 -1.26 -0.71 115.64 113.33 1mri s THR 59 Ca 0.53 -0.90 0.11 0.00 -1.21 0.00 0.00 61.69 60.22 1mri s THR 59 Cb -0.10 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 1mri s THR 59 CO 0.26 -0.05 -0.24 0.27 -2.21 0.00 0.00 174.62 172.65 1mri s ILE 60 N -0.84 2.41 -0.31 5.08 -4.36 -0.18 -4.67 121.20 118.32 1mri s ILE 60 Ca -0.01 -1.78 -0.04 0.00 -0.26 0.00 0.00 60.65 58.56 1mri s ILE 60 Cb -0.07 -2.10 0.04 0.00 1.25 0.00 0.00 42.46 41.58 1mri s ILE 60 CO 0.01 0.03 0.04 -0.89 0.24 0.00 0.00 174.94 174.37 1mri s THR 61 N -1.24 3.36 0.33 8.37 2.01 -1.11 -0.46 115.64 126.89 1mri s THR 61 Ca 0.17 -1.19 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 1mri s THR 61 Cb -0.10 -2.88 -0.06 0.00 0.01 0.00 0.00 72.50 69.48 1mri s THR 61 CO 0.08 -0.09 0.63 -0.69 -0.69 0.00 0.00 174.62 173.86 1mri s VAL 62 N 1.34 4.94 -0.10 3.82 1.01 0.36 -1.74 120.40 130.03 1mri s VAL 62 Ca -0.03 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1mri s VAL 62 Cb -0.19 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1mri s VAL 62 CO 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 175.10 174.53 1mri s ALA 63 N -2.17 1.88 -0.09 5.51 0.00 -0.96 -0.59 121.76 125.34 1mri s ALA 63 Ca 0.47 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1mri s ALA 63 Cb -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1mri s ALA 63 CO 0.30 0.14 -0.20 0.08 0.00 0.00 0.00 175.76 176.08 1mri s VAL 64 N 0.60 1.74 -0.06 0.00 1.01 0.14 -1.07 120.40 122.75 1mri s VAL 64 Ca -0.14 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1mri s VAL 64 Cb -0.17 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1mri s VAL 64 CO 0.04 0.49 1.57 -0.62 0.00 0.00 0.00 175.10 176.59 1mri s ASP 65 N 0.55 6.72 0.00 3.32 -1.08 0.25 -0.12 116.67 126.31 1mri s ASP 65 Ca -0.15 2.16 0.13 0.00 -0.52 0.00 0.00 52.55 54.17 1mri s ASP 65 Cb -0.17 -2.54 0.77 0.00 -1.46 0.00 0.00 42.92 39.53 1mri s ASP 65 CO 0.05 -0.88 1.50 1.33 0.52 0.00 0.00 175.17 177.69 1mri n VAL 66 N 5.35 0.01 -0.01 1.11 0.24 0.74 -0.21 118.33 125.56 1mri n VAL 66 Ca 0.16 -0.01 0.10 0.00 -2.04 0.00 0.00 64.34 62.55 1mri n VAL 66 Cb 0.43 -0.18 -0.17 0.00 -1.47 0.00 0.00 33.84 32.45 1mri n VAL 66 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1mri n THR 67 N -0.66 0.02 -0.69 3.34 -2.24 -1.26 -4.57 114.28 108.22 1mri n THR 67 Ca 0.10 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1mri n THR 67 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1mri n THR 67 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1mri n ASN 68 N -2.25 0.02 -2.41 3.42 0.23 -1.15 -4.63 115.26 108.50 1mri n ASN 68 Ca -0.04 -0.72 -0.21 0.00 -0.53 0.00 0.00 54.58 53.08 1mri n ASN 68 Cb 0.57 0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 38.27 1mri n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1mri n VAL 69 N -0.01 -1.08 -2.80 3.53 0.31 0.71 -5.01 118.33 113.98 1mri n VAL 69 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1mri n VAL 69 Cb 0.17 -3.00 -0.04 0.00 -0.91 0.00 0.00 33.84 30.07 1mri n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1mri s TYR 70 N -3.04 3.68 0.17 3.52 2.02 -1.24 -4.81 117.35 117.66 1mri s TYR 70 Ca 0.03 1.61 -0.32 0.00 -0.37 0.00 0.00 57.07 58.02 1mri s TYR 70 Cb -0.01 -3.02 -0.11 0.00 -0.40 0.00 0.00 41.96 38.42 1mri s TYR 70 CO 0.04 0.08 1.63 0.42 -1.57 0.00 0.00 175.55 176.15 1mri s ILE 71 N 0.65 2.43 -0.24 2.71 -1.09 -1.26 -0.59 121.20 123.82 1mri s ILE 71 Ca 0.47 0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 59.11 1mri s ILE 71 Cb -0.21 -3.18 -0.12 0.00 -1.58 0.00 0.00 42.46 37.36 1mri s ILE 71 CO 0.26 0.02 -0.28 0.23 -1.23 0.00 0.00 174.94 173.94 1mri n MET 72 N 4.09 0.54 -1.27 2.79 2.81 -0.24 -4.93 117.12 120.92 1mri n MET 72 Ca 0.15 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1mri n MET 72 Cb 0.37 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1mri n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mri n GLY 73 N 1.80 0.92 3.60 3.03 0.00 -1.25 -2.16 105.19 111.12 1mri n GLY 73 Ca -0.46 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1mri n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mri s TYR 74 N -3.31 -0.24 -0.06 1.61 1.13 0.36 -2.27 117.35 114.58 1mri s TYR 74 Ca 0.00 -0.11 0.06 0.00 -1.41 0.00 0.00 57.07 55.61 1mri s TYR 74 Cb 0.00 0.53 -0.01 0.00 -1.10 0.00 0.00 41.96 41.38 1mri s TYR 74 CO 0.00 -1.00 -0.25 -1.17 -2.51 0.00 0.00 175.55 170.62 1mri s LEU 75 N -2.86 2.06 -0.11 -3.49 2.96 -0.71 -0.60 118.68 115.93 1mri s LEU 75 Ca 0.08 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1mri s LEU 75 Cb -0.03 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.33 1mri s LEU 75 CO -0.02 0.23 -0.10 0.00 -1.32 0.00 0.00 176.35 175.14 1mri s ALA 76 N -0.11 1.43 0.00 5.97 0.00 -0.21 -2.74 121.76 126.09 1mri s ALA 76 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1mri s ALA 76 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1mri s ALA 76 CO 0.04 -0.31 0.00 -0.40 0.00 0.00 0.00 175.76 175.09 1mri n ASP 77 N 4.70 0.00 -0.72 0.00 5.75 -1.26 -1.63 116.55 123.39 1mri n ASP 77 Ca -0.15 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.75 1mri n ASP 77 Cb 0.50 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.69 1mri n ASP 77 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1mri n THR 78 N 0.00 0.00 -4.34 2.12 -2.24 -1.26 -4.91 114.28 103.64 1mri n THR 78 Ca 0.00 -0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 1mri n THR 78 Cb 0.00 1.30 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1mri n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mri s THR 79 N -2.21 3.94 0.06 4.28 2.01 -0.65 0.23 115.64 123.29 1mri s THR 79 Ca 0.25 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.63 1mri s THR 79 Cb 0.19 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1mri s THR 79 CO 0.42 0.37 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.62 1mri s SER 80 N -1.53 3.93 -0.08 3.53 1.04 -0.08 -1.04 113.70 119.46 1mri s SER 80 Ca 0.19 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1mri s SER 80 Cb -0.11 -0.66 0.01 0.00 0.10 0.00 0.00 66.02 65.36 1mri s SER 80 CO 0.09 0.24 -0.18 -0.31 0.98 0.00 0.00 173.24 174.06 1mri s TYR 81 N -0.99 1.98 0.16 5.02 1.51 0.23 0.11 117.35 125.37 1mri s TYR 81 Ca 0.16 -0.76 0.10 0.00 -1.01 0.00 0.00 57.07 55.55 1mri s TYR 81 Cb -0.11 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1mri s TYR 81 CO 0.07 -0.33 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.91 1mri s PHE 82 N 0.47 2.01 0.89 2.71 0.08 -0.66 -0.49 117.98 122.99 1mri s PHE 82 Ca -0.16 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.36 1mri s PHE 82 Cb -0.16 -1.02 0.12 0.00 -0.57 0.00 0.00 43.02 41.39 1mri s PHE 82 CO 0.06 0.37 1.09 -0.06 -0.10 0.00 0.00 175.22 176.59 1mri s PHE 83 N -1.73 2.23 -1.16 0.36 0.08 -0.92 -1.27 117.98 115.56 1mri s PHE 83 Ca 0.16 1.39 -0.10 0.00 0.12 0.00 0.00 56.93 58.50 1mri s PHE 83 Cb -0.07 -3.15 0.23 0.00 -0.57 0.00 0.00 43.02 39.46 1mri s PHE 83 CO 0.07 -2.40 1.34 -1.71 -0.10 0.00 0.00 175.22 172.42 1mri n ASN 84 N -3.91 5.48 -3.54 1.36 5.15 0.22 -4.57 115.26 115.44 1mri n ASN 84 Ca 0.08 -3.06 -0.13 0.00 -0.60 0.00 0.00 54.58 50.86 1mri n ASN 84 Cb 0.54 -1.45 -0.04 0.00 -0.53 0.00 0.00 39.78 38.30 1mri n ASN 84 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1mri s GLU 85 N -0.27 1.10 0.22 1.20 -1.05 -1.26 -3.93 118.70 114.71 1mri s GLU 85 Ca 0.36 -0.30 -0.08 0.00 -0.15 0.00 0.00 54.97 54.80 1mri s GLU 85 Cb -0.04 0.50 0.18 0.00 -0.44 0.00 0.00 34.13 34.33 1mri s GLU 85 CO -0.02 -0.42 1.85 -1.35 0.95 0.00 0.00 175.26 176.26 1mri h PRO 86 N 2.56 1.14 -0.53 -4.83 0.11 -2.00 -1.08 132.00 127.37 1mri h PRO 86 Ca -0.32 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1mri h PRO 86 Cb 1.23 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1mri h PRO 86 CO 0.41 0.83 0.27 0.00 -0.21 0.00 0.00 178.00 179.29 1mri h ALA 87 N 1.25 1.47 -0.12 -0.75 0.00 -1.98 0.15 119.26 119.28 1mri h ALA 87 Ca 0.29 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1mri h ALA 87 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1mri h ALA 87 CO -0.05 0.43 -0.65 0.00 0.00 0.00 0.00 179.25 178.97 1mri h ALA 88 N 1.56 0.65 0.00 0.00 0.00 -1.51 0.15 119.26 120.09 1mri h ALA 88 Ca 0.19 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1mri h ALA 88 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1mri h ALA 88 CO -0.03 0.73 -0.55 1.49 0.00 0.00 0.00 179.25 180.89 1mri h GLU 89 N 0.33 0.00 -0.22 0.00 4.57 -0.95 -1.02 114.58 117.29 1mri h GLU 89 Ca -0.02 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1mri h GLU 89 Cb 1.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1mri h GLU 89 CO 0.12 0.55 -0.00 1.25 -1.18 0.00 0.00 179.01 179.74 1mri h LEU 90 N 0.00 0.39 -1.33 1.64 7.12 -0.58 -2.51 115.31 120.04 1mri h LEU 90 Ca -0.01 -0.31 0.04 0.00 0.13 0.00 0.00 57.88 57.74 1mri h LEU 90 Cb 1.03 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 41.01 1mri h LEU 90 CO 0.07 0.60 0.48 0.00 -0.13 0.00 0.00 178.44 179.47 1mri h ALA 91 N 0.80 1.60 -0.06 1.25 0.00 -0.41 -0.54 119.26 121.89 1mri h ALA 91 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1mri h ALA 91 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1mri h ALA 91 CO 0.01 0.31 0.15 0.66 0.00 0.00 0.00 179.25 180.38 1mri h SER 92 N 0.86 0.00 1.01 0.00 4.64 -0.72 0.33 113.55 119.67 1mri h SER 92 Ca 0.30 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.57 1mri h SER 92 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1mri h SER 92 CO -0.09 0.00 -0.23 1.56 -0.87 0.00 0.00 176.83 177.20 1mri h GLN 93 N 0.00 0.00 0.00 4.77 4.20 -1.09 -3.37 115.11 119.63 1mri h GLN 93 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1mri h GLN 93 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1mri h GLN 93 CO -0.00 0.23 -1.29 0.66 -0.67 0.00 0.00 178.83 177.76 1mri n TYR 94 N -3.36 0.00 -4.47 2.96 4.01 0.11 -5.01 117.16 111.40 1mri n TYR 94 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.51 1mri n TYR 94 Cb 0.45 -0.18 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 1mri n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1mri s VAL 95 N -2.27 2.33 -1.61 -0.72 -7.23 -0.83 -4.78 120.40 105.30 1mri s VAL 95 Ca -0.02 -2.34 -0.06 0.00 -1.81 0.00 0.00 61.98 57.74 1mri s VAL 95 Cb 0.03 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.69 1mri s VAL 95 CO 0.22 -0.38 0.25 0.49 -0.31 0.00 0.00 175.10 175.36 1mri n PHE 96 N -0.62 -1.34 1.45 2.82 3.72 -1.26 -4.75 117.46 117.48 1mri n PHE 96 Ca -0.05 0.66 0.15 0.00 -0.05 0.00 0.00 57.45 58.16 1mri n PHE 96 Cb 0.61 -2.79 0.75 0.00 -0.94 0.00 0.00 39.48 37.11 1mri n PHE 96 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1mri n ARG 97 N -4.44 0.49 -0.37 -1.08 5.12 -1.26 -2.46 116.66 112.66 1mri n ARG 97 Ca -0.21 -0.03 0.07 0.00 -1.93 0.00 0.00 57.85 55.76 1mri n ARG 97 Cb 0.63 -1.50 0.23 0.00 -1.16 0.00 0.00 32.46 30.67 1mri n ARG 97 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1mri n ASP 98 N -1.23 3.66 -4.74 0.55 5.75 -1.26 -4.95 116.55 114.32 1mri n ASP 98 Ca 0.15 -2.59 -0.41 0.00 -0.01 0.00 0.00 54.79 51.92 1mri n ASP 98 Cb 0.24 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 1mri n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mri s ALA 99 N -2.06 3.66 -0.28 2.12 0.00 -1.03 -4.89 121.76 119.28 1mri s ALA 99 Ca 0.36 1.34 0.27 0.00 0.00 0.00 0.00 51.96 53.93 1mri s ALA 99 Cb 0.26 -3.57 1.12 0.00 0.00 0.00 0.00 23.12 20.93 1mri s ALA 99 CO 0.13 -0.75 1.81 0.00 0.00 0.00 0.00 175.76 176.95 1mri h ARG 100 N 5.37 0.00 -2.04 0.00 3.08 -0.58 -3.44 114.38 116.77 1mri h ARG 100 Ca -0.45 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 1mri h ARG 100 Cb 1.22 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.05 1mri h ARG 100 CO 0.80 0.00 0.11 0.50 -1.07 0.00 0.00 179.97 180.31 1mri s ARG 101 N -3.44 0.83 -0.16 0.04 3.52 -1.09 -5.04 118.95 113.61 1mri s ARG 101 Ca 0.03 0.94 -0.00 0.00 -0.13 0.00 0.00 55.73 56.57 1mri s ARG 101 Cb 0.09 0.40 0.04 0.00 -1.56 0.00 0.00 34.95 33.92 1mri s ARG 101 CO 0.45 -0.11 -0.08 0.21 -0.81 0.00 0.00 175.30 174.96 1mri s LYS 102 N 0.30 1.68 -0.09 5.12 2.20 -1.26 -0.91 119.74 126.78 1mri s LYS 102 Ca -0.01 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1mri s LYS 102 Cb -0.05 -1.99 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1mri s LYS 102 CO 0.01 -0.37 0.04 0.42 -0.36 0.00 0.00 175.35 175.10 1mri s ILE 103 N 1.59 4.63 -0.24 5.43 1.01 0.12 -4.94 121.20 128.79 1mri s ILE 103 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1mri s ILE 103 Cb -0.14 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 1mri s ILE 103 CO -0.08 0.61 0.15 -0.89 0.00 0.00 0.00 174.94 174.73 1mri s THR 104 N -0.92 5.24 0.47 2.92 2.01 -1.26 -1.65 115.64 122.44 1mri s THR 104 Ca 0.14 0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.04 1mri s THR 104 Cb -0.11 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 1mri s THR 104 CO 0.03 0.34 1.23 -0.76 -0.69 0.00 0.00 174.62 174.77 1mri s LEU 105 N 1.12 4.02 0.00 4.42 1.43 -0.40 -4.91 118.68 124.35 1mri s LEU 105 Ca 0.07 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1mri s LEU 105 Cb -0.14 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.90 1mri s LEU 105 CO 0.05 -1.03 0.43 -0.81 0.23 0.00 0.00 176.35 175.22 1mri n PRO 106 N -0.48 0.74 -3.95 1.29 -0.04 -1.26 -3.57 135.00 127.72 1mri n PRO 106 Ca 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 1mri n PRO 106 Cb 0.47 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1mri n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1mri s TYR 107 N -0.79 0.37 0.55 0.54 -0.85 -1.26 -5.00 117.35 110.91 1mri s TYR 107 Ca 0.00 -0.73 0.01 0.00 -0.52 0.00 0.00 57.07 55.83 1mri s TYR 107 Cb 0.00 0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.38 1mri s TYR 107 CO 0.00 -0.79 0.77 -1.54 -1.52 0.00 0.00 175.55 172.48 1mri s SER 108 N -2.98 5.33 -0.25 -0.18 1.04 -1.25 0.70 113.70 116.11 1mri s SER 108 Ca 0.18 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.73 1mri s SER 108 Cb 0.02 -0.98 0.52 0.00 0.10 0.00 0.00 66.02 65.68 1mri s SER 108 CO 0.02 -1.11 1.52 0.61 0.98 0.00 0.00 173.24 175.26 1mri n GLY 109 N -2.34 3.18 3.93 7.32 0.00 -1.26 -4.21 105.19 111.81 1mri n GLY 109 Ca 0.07 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1mri n GLY 109 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mri s ASP 110 N -0.58 6.38 0.30 1.61 1.47 -1.26 -4.93 116.67 119.66 1mri s ASP 110 Ca 0.39 0.34 0.05 0.00 1.18 0.00 0.00 52.55 54.51 1mri s ASP 110 Cb 0.32 -1.98 0.72 0.00 -0.34 0.00 0.00 42.92 41.64 1mri s ASP 110 CO 0.09 0.01 1.78 1.88 0.68 0.00 0.00 175.17 179.61 1mri h TYR 111 N 2.21 1.08 -0.43 2.11 0.05 -1.98 -1.47 116.97 118.54 1mri h TYR 111 Ca -0.48 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.22 1mri h TYR 111 Cb 1.19 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 1mri h TYR 111 CO 0.56 0.25 -0.21 1.49 -1.05 0.00 0.00 178.16 179.20 1mri h GLU 112 N 0.78 0.90 -0.05 4.88 4.81 -1.95 -0.19 114.58 123.75 1mri h GLU 112 Ca 0.57 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1mri h GLU 112 Cb 0.87 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1mri h GLU 112 CO -0.38 1.04 -0.27 0.00 -0.73 0.00 0.00 179.01 178.68 1mri h ARG 113 N 0.72 0.27 -0.85 1.92 2.47 -1.68 -2.31 114.38 114.91 1mri h ARG 113 Ca 0.09 -0.22 0.13 0.00 -1.26 0.00 0.00 59.98 58.72 1mri h ARG 113 Cb 0.78 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.08 1mri h ARG 113 CO 0.06 0.87 0.55 -0.07 0.56 0.00 0.00 179.97 181.95 1mri h LEU 114 N -0.27 0.64 -0.08 3.04 3.38 -1.23 0.10 115.31 120.88 1mri h LEU 114 Ca -0.02 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1mri h LEU 114 Cb 0.93 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1mri h LEU 114 CO 0.05 0.34 -0.82 1.56 0.09 0.00 0.00 178.44 179.67 1mri h GLN 115 N 0.69 0.70 -0.32 1.13 4.20 -1.00 -0.73 115.11 119.78 1mri h GLN 115 Ca 0.42 -0.64 0.03 0.00 0.06 0.00 0.00 58.65 58.51 1mri h GLN 115 Cb 0.64 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1mri h GLN 115 CO -0.18 1.24 0.15 0.82 -0.67 0.00 0.00 178.83 180.19 1mri h ILE 116 N 0.38 0.97 -0.16 2.54 2.04 -1.20 -0.90 117.51 121.18 1mri h ILE 116 Ca -0.08 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1mri h ILE 116 Cb 1.46 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1mri h ILE 116 CO 0.17 0.06 -0.16 0.00 0.00 0.00 0.00 178.15 178.22 1mri h ALA 117 N 1.18 1.43 0.00 1.87 0.00 -0.73 -3.20 119.26 119.81 1mri h ALA 117 Ca 0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1mri h ALA 117 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1mri h ALA 117 CO -0.11 0.39 -1.01 0.00 0.00 0.00 0.00 179.25 178.53 1mri h ALA 118 N 1.59 0.62 0.00 0.00 0.00 -0.83 -3.45 119.26 117.20 1mri h ALA 118 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1mri h ALA 118 Cb 0.43 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mri h ALA 118 CO 0.03 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1mri n GLY 119 N 1.33 1.31 3.13 0.00 0.00 -0.37 -4.87 105.19 105.73 1mri n GLY 119 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1mri n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mri s LYS 120 N -0.43 0.91 0.83 1.61 1.02 -1.24 -5.06 119.74 117.38 1mri s LYS 120 Ca 0.00 -0.72 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 1mri s LYS 120 Cb 0.00 -0.91 0.09 0.00 -0.52 0.00 0.00 37.83 36.49 1mri s LYS 120 CO 0.00 0.23 1.10 -1.25 -0.92 0.00 0.00 175.35 174.50 1mri s PRO 121 N -1.07 1.80 0.44 -1.68 0.04 -1.26 -4.65 135.00 128.62 1mri s PRO 121 Ca 0.01 0.67 0.16 0.00 0.04 0.00 0.00 61.00 61.88 1mri s PRO 121 Cb -0.08 -1.88 1.08 0.00 0.04 0.00 0.00 34.50 33.66 1mri s PRO 121 CO 0.01 -1.83 1.96 0.00 0.04 0.00 0.00 177.00 177.18 1mri h ARG 122 N -1.24 0.36 0.00 4.56 3.08 -1.95 -2.52 114.38 116.67 1mri h ARG 122 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1mri h ARG 122 Cb 1.28 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1mri h ARG 122 CO 0.58 0.24 0.00 0.93 -1.07 0.00 0.00 179.97 180.65 1mri h GLU 123 N 0.37 0.00 -0.26 0.04 3.07 -1.91 -2.83 114.58 113.06 1mri h GLU 123 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1mri h GLU 123 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1mri h GLU 123 CO -0.09 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.15 1mri n LYS 124 N -2.59 2.83 -4.12 2.33 5.02 -0.95 -4.60 118.16 116.08 1mri n LYS 124 Ca -0.00 -2.19 -0.34 0.00 -2.02 0.00 0.00 58.31 53.76 1mri n LYS 124 Cb 0.15 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 33.63 1mri n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mri s ILE 125 N -1.52 2.74 0.30 -0.18 1.01 -1.07 -4.99 121.20 117.49 1mri s ILE 125 Ca 0.25 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1mri s ILE 125 Cb 0.16 -2.20 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 1mri s ILE 125 CO 0.11 0.49 1.36 -2.84 0.00 0.00 0.00 174.94 174.06 1mri s PRO 126 N 1.26 4.32 0.32 2.79 0.02 -1.26 -4.27 135.00 138.16 1mri s PRO 126 Ca 0.03 2.25 0.10 0.00 0.02 0.00 0.00 61.00 63.40 1mri s PRO 126 Cb -0.14 -3.09 -0.06 0.00 0.02 0.00 0.00 34.50 31.24 1mri s PRO 126 CO -0.06 -0.29 -0.10 0.96 -0.33 0.00 0.00 177.00 177.18 1mri s ILE 127 N -0.66 2.49 -5.00 2.83 -4.36 -0.72 -4.76 121.20 111.01 1mri s ILE 127 Ca 0.53 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1mri s ILE 127 Cb -0.41 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.73 1mri s ILE 127 CO 0.49 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 176.00 1mri n GLY 128 N -0.77 -2.30 0.16 6.27 0.00 -1.26 -0.91 105.19 106.38 1mri n GLY 128 Ca -0.05 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 1mri n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mri h LEU 129 N 0.00 0.40 -0.69 0.99 3.38 -1.63 -2.84 115.31 114.92 1mri h LEU 129 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1mri h LEU 129 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1mri h LEU 129 CO 0.00 1.04 0.43 -0.65 0.09 0.00 0.00 178.44 179.35 1mri h PRO 130 N 0.21 0.92 -0.10 1.13 0.11 -1.77 -2.50 132.00 130.00 1mri h PRO 130 Ca -0.04 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1mri h PRO 130 Cb 1.37 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1mri h PRO 130 CO 0.13 0.64 -0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1mri h ALA 131 N 1.23 1.81 -0.05 -0.75 0.00 -1.88 -2.34 119.26 117.28 1mri h ALA 131 Ca 0.25 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1mri h ALA 131 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1mri h ALA 131 CO -0.05 0.15 -0.81 1.25 0.00 0.00 0.00 179.25 179.79 1mri h LEU 132 N 0.14 0.53 -1.38 0.00 5.85 -1.23 0.83 115.31 120.05 1mri h LEU 132 Ca 0.04 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1mri h LEU 132 Cb 0.10 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1mri h LEU 132 CO 0.00 1.14 -0.28 -0.78 -0.34 0.00 0.00 178.44 178.19 1mri h ASP 133 N 0.28 0.05 0.68 1.25 3.58 -1.18 -0.07 116.42 121.01 1mri h ASP 133 Ca -0.05 -0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.12 1mri h ASP 133 Cb 1.41 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.42 1mri h ASP 133 CO 0.14 0.33 -1.38 -1.28 -2.88 0.00 0.00 179.24 174.17 1mri h SER 134 N 0.05 0.10 -0.15 2.28 0.87 -1.16 -2.77 113.55 112.78 1mri h SER 134 Ca 0.01 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1mri h SER 134 Cb 0.52 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1mri h SER 134 CO 0.04 1.12 -0.02 0.00 -0.53 0.00 0.00 176.83 177.44 1mri h ALA 135 N 0.86 0.21 -0.67 6.23 0.00 -0.50 0.79 119.26 126.18 1mri h ALA 135 Ca -0.16 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.64 1mri h ALA 135 Cb 1.92 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 1mri h ALA 135 CO 0.12 -0.05 0.22 0.82 0.00 0.00 0.00 179.25 180.36 1mri h ILE 136 N -0.01 0.67 -0.11 0.00 2.04 -1.06 -1.45 117.51 117.59 1mri h ILE 136 Ca 0.04 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1mri h ILE 136 Cb 0.44 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1mri h ILE 136 CO 0.01 0.07 0.02 0.28 0.00 0.00 0.00 178.15 178.54 1mri h SER 137 N 0.37 0.17 -0.98 1.72 0.02 -1.15 -2.09 113.55 111.61 1mri h SER 137 Ca 0.36 -0.24 0.24 0.00 -0.84 0.00 0.00 61.79 61.32 1mri h SER 137 Cb 0.52 -0.04 -0.13 0.00 0.14 0.00 0.00 62.40 62.89 1mri h SER 137 CO -0.38 0.36 0.55 0.74 -1.14 0.00 0.00 176.83 176.95 1mri h THR 138 N -0.03 0.51 0.00 -2.27 2.02 -0.58 -2.54 112.91 110.01 1mri h THR 138 Ca 0.03 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1mri h THR 138 Cb 0.26 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1mri h THR 138 CO 0.00 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.92 1mri h LEU 139 N 0.52 0.00 -1.13 2.58 3.38 -0.57 -2.60 115.31 117.50 1mri h LEU 139 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1mri h LEU 139 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1mri h LEU 139 CO -0.50 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 177.96 1mri h LEU 140 N 0.00 0.00 -8.06 1.67 3.38 -1.18 -3.39 115.31 107.73 1mri h LEU 140 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1mri h LEU 140 Cb 0.92 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.33 1mri h LEU 140 CO 0.00 0.00 -0.84 -1.00 0.09 0.00 0.00 178.44 176.69 1mri s HIS 141 N -3.54 1.93 0.03 1.13 0.09 -0.98 -4.90 115.29 109.05 1mri s HIS 141 Ca 0.03 -0.84 -0.31 0.00 -0.00 0.00 0.00 55.06 53.93 1mri s HIS 141 Cb 0.09 -1.37 -0.10 0.00 -0.00 0.00 0.00 32.58 31.19 1mri s HIS 141 CO 0.53 -0.41 1.92 0.98 -0.00 0.00 0.00 174.74 177.75 1mri n TYR 142 N 3.97 2.49 -3.23 1.40 9.36 -1.26 -4.94 117.16 124.95 1mri n TYR 142 Ca -0.20 -0.23 0.02 0.00 3.32 0.00 0.00 57.90 60.81 1mri n TYR 142 Cb 0.52 -2.75 -0.02 0.00 -0.63 0.00 0.00 39.34 36.46 1mri n TYR 142 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1mri s ASP 143 N 3.92 -1.22 0.17 2.98 -1.08 -1.26 -5.07 116.67 115.11 1mri s ASP 143 Ca 0.88 0.91 0.25 0.00 -0.52 0.00 0.00 52.55 54.06 1mri s ASP 143 Cb -0.51 2.09 0.91 0.00 -1.46 0.00 0.00 42.92 43.95 1mri s ASP 143 CO 0.43 -0.26 1.75 -1.54 0.52 0.00 0.00 175.17 176.07 1mri n SER 144 N 5.43 0.55 0.02 -0.34 3.41 -1.26 -0.91 113.62 120.52 1mri n SER 144 Ca -0.02 0.58 -0.20 0.00 -0.26 0.00 0.00 58.87 58.97 1mri n SER 144 Cb 0.51 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 1mri n SER 144 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1mri h THR 145 N 0.00 0.75 -0.51 6.66 2.02 -1.98 -2.85 112.91 117.01 1mri h THR 145 Ca 0.00 -2.45 -0.08 0.00 0.77 0.00 0.00 66.41 64.65 1mri h THR 145 Cb 0.53 2.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.49 1mri h THR 145 CO 0.00 0.85 -0.01 0.00 0.37 0.00 0.00 175.52 176.73 1mri h ALA 146 N 0.20 1.03 -0.22 6.16 0.00 -1.83 -2.98 119.26 121.63 1mri h ALA 146 Ca -0.38 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 1mri h ALA 146 Cb 2.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1mri h ALA 146 CO 0.11 0.60 -0.45 0.00 0.00 0.00 0.00 179.25 179.52 1mri h ALA 147 N 1.19 0.81 -0.67 0.00 0.00 -1.11 -1.05 119.26 118.43 1mri h ALA 147 Ca 0.15 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1mri h ALA 147 Cb 0.49 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1mri h ALA 147 CO 0.02 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.25 1mri h ALA 148 N 1.07 0.90 -0.21 0.00 0.00 -1.35 0.30 119.26 119.96 1mri h ALA 148 Ca 0.03 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1mri h ALA 148 Cb 0.96 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1mri h ALA 148 CO 0.09 -0.08 -0.68 0.78 0.00 0.00 0.00 179.25 179.35 1mri h GLY 149 N 0.55 0.91 2.00 0.00 0.00 -1.37 -2.27 103.07 102.89 1mri h GLY 149 Ca 0.33 -1.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 1mri h GLY 149 CO -0.27 1.06 -0.32 0.00 0.00 0.00 0.00 176.54 177.01 1mri h ALA 150 N 0.62 1.06 0.00 3.60 0.00 -0.90 -3.14 119.26 120.50 1mri h ALA 150 Ca -0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1mri h ALA 150 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1mri h ALA 150 CO 0.14 0.40 -0.60 -0.07 0.00 0.00 0.00 179.25 179.12 1mri h LEU 151 N 0.00 0.00 -1.22 0.00 3.38 -0.31 -1.53 115.31 115.63 1mri h LEU 151 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1mri h LEU 151 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1mri h LEU 151 CO 0.04 0.52 0.11 -0.07 0.09 0.00 0.00 178.44 179.13 1mri h LEU 152 N 0.00 0.59 0.18 1.67 3.38 -1.36 -0.59 115.31 119.17 1mri h LEU 152 Ca -0.02 -0.09 -0.32 0.00 0.09 0.00 0.00 57.88 57.54 1mri h LEU 152 Cb 1.41 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 42.02 1mri h LEU 152 CO 0.07 0.59 -1.52 0.58 0.09 0.00 0.00 178.44 178.25 1mri h VAL 153 N 0.63 1.20 -0.25 1.22 2.07 -1.54 -3.26 116.25 116.32 1mri h VAL 153 Ca 0.15 -2.75 -0.02 0.00 0.82 0.00 0.00 66.70 64.89 1mri h VAL 153 Cb 0.23 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1mri h VAL 153 CO -0.00 0.84 0.09 0.25 0.02 0.00 0.00 177.57 178.76 1mri h LEU 154 N 0.10 0.36 0.25 2.57 5.85 -1.09 -1.73 115.31 121.62 1mri h LEU 154 Ca -0.25 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1mri h LEU 154 Cb 2.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 1mri h LEU 154 CO 0.21 0.45 -0.20 0.40 -0.34 0.00 0.00 178.44 178.95 1mri h ILE 155 N 0.24 0.56 -0.58 4.05 2.04 -1.26 -2.69 117.51 119.87 1mri h ILE 155 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1mri h ILE 155 Cb 0.22 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1mri h ILE 155 CO -0.00 0.00 0.17 1.56 0.00 0.00 0.00 178.15 179.87 1mri h GLN 156 N -0.47 0.89 0.00 2.37 4.20 -1.60 -1.12 115.11 119.39 1mri h GLN 156 Ca -0.01 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1mri h GLN 156 Cb 0.42 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1mri h GLN 156 CO -0.02 0.78 0.00 0.25 -0.67 0.00 0.00 178.83 179.17 1mri n THR 157 N -4.28 0.04 0.00 -0.54 -2.24 -0.65 -3.41 114.28 103.20 1mri n THR 157 Ca 0.04 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1mri n THR 157 Cb 0.21 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1mri n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mri n THR 158 N -1.29 0.01 0.27 4.28 -2.24 -1.02 -4.73 114.28 109.57 1mri n THR 158 Ca 0.14 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.76 1mri n THR 158 Cb 0.24 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 1mri n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mri h ALA 159 N 0.00 -0.77 0.00 6.98 0.00 -1.42 -2.03 119.26 122.03 1mri h ALA 159 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1mri h ALA 159 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1mri h ALA 159 CO 0.00 -0.95 -0.11 0.93 0.00 0.00 0.00 179.25 179.12 1mri h GLU 160 N -0.76 0.00 0.00 0.00 4.39 -1.63 -2.26 114.58 114.32 1mri h GLU 160 Ca -0.05 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1mri h GLU 160 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1mri h GLU 160 CO 0.03 0.11 -0.79 0.00 -1.16 0.00 0.00 179.01 177.20 1mri h ALA 161 N 1.89 0.59 -0.13 3.43 0.00 -1.54 -2.03 119.26 121.46 1mri h ALA 161 Ca -0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 54.02 1mri h ALA 161 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1mri h ALA 161 CO 0.01 0.98 -0.64 0.00 0.00 0.00 0.00 179.25 179.61 1mri h ALA 162 N 1.21 0.65 -0.19 0.00 0.00 -0.81 -3.31 119.26 116.81 1mri h ALA 162 Ca -0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 1mri h ALA 162 Cb 1.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1mri h ALA 162 CO 0.10 0.72 -0.39 0.00 0.00 0.00 0.00 179.25 179.68 1mri h ARG 163 N 0.35 0.60 -4.79 0.00 3.08 -1.35 -3.42 114.38 108.85 1mri h ARG 163 Ca -0.01 -0.39 -0.61 0.00 0.07 0.00 0.00 59.98 59.03 1mri h ARG 163 Cb 1.20 0.05 -0.35 0.00 0.08 0.00 0.00 29.97 30.95 1mri h ARG 163 CO 0.11 1.01 -0.84 -0.06 -1.07 0.00 0.00 179.97 179.12 1mri s PHE 164 N -4.03 2.25 0.42 3.04 0.08 -0.77 0.14 117.98 119.12 1mri s PHE 164 Ca -0.13 -1.22 0.15 0.00 0.12 0.00 0.00 56.93 55.86 1mri s PHE 164 Cb 0.07 -1.62 0.96 0.00 -0.57 0.00 0.00 43.02 41.86 1mri s PHE 164 CO 0.83 -0.64 1.95 -0.22 -0.10 0.00 0.00 175.22 177.04 1mri h LYS 165 N 7.81 0.00 -0.25 0.44 3.64 -1.53 -1.83 116.57 124.85 1mri h LYS 165 Ca -0.37 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1mri h LYS 165 Cb 1.15 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1mri h LYS 165 CO 0.54 0.23 -0.01 -0.92 -2.27 0.00 0.00 179.45 177.02 1mri h TYR 166 N 0.00 -0.02 -0.20 1.91 3.20 -1.90 -2.15 116.97 117.81 1mri h TYR 166 Ca -0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1mri h TYR 166 Cb 0.42 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1mri h TYR 166 CO 0.00 -0.05 -0.30 0.82 -1.64 0.00 0.00 178.16 176.99 1mri h ILE 167 N 0.07 1.27 0.00 1.81 2.04 -1.65 -0.66 117.51 120.39 1mri h ILE 167 Ca 0.12 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1mri h ILE 167 Cb 0.16 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1mri h ILE 167 CO -0.21 0.41 -0.07 -0.08 0.00 0.00 0.00 178.15 178.20 1mri h GLU 168 N 0.34 0.00 0.13 2.37 4.81 -1.06 -2.16 114.58 119.02 1mri h GLU 168 Ca 0.05 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.96 1mri h GLU 168 Cb 0.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1mri h GLU 168 CO 0.05 0.07 -1.59 1.96 -0.73 0.00 0.00 179.01 178.77 1mri h GLN 169 N 0.00 0.27 -0.72 1.92 4.20 -0.66 -2.42 115.11 117.70 1mri h GLN 169 Ca -0.00 -0.46 0.15 0.00 0.06 0.00 0.00 58.65 58.40 1mri h GLN 169 Cb 0.13 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 27.95 1mri h GLN 169 CO 0.01 1.13 -0.08 1.96 -0.67 0.00 0.00 178.83 181.18 1mri h GLN 170 N 0.07 0.05 -0.18 1.46 1.08 -0.93 -0.43 115.11 116.23 1mri h GLN 170 Ca -0.27 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.79 1mri h GLN 170 Cb 2.03 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 1mri h GLN 170 CO 0.16 0.03 -0.42 0.82 -0.95 0.00 0.00 178.83 178.47 1mri h ILE 171 N 0.05 1.33 -0.44 2.54 1.08 -1.40 -2.64 117.51 118.04 1mri h ILE 171 Ca 0.37 -1.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.26 1mri h ILE 171 Cb 0.61 1.92 -0.07 0.00 -3.07 0.00 0.00 36.82 36.21 1mri h ILE 171 CO -0.68 0.51 -0.00 1.56 -0.69 0.00 0.00 178.15 178.85 1mri h GLN 172 N 0.27 0.10 -0.96 2.37 4.20 -0.86 0.27 115.11 120.50 1mri h GLN 172 Ca -0.00 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.89 1mri h GLN 172 Cb 1.03 -0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.68 1mri h GLN 172 CO 0.09 0.07 0.56 0.93 -0.67 0.00 0.00 178.83 179.81 1mri h GLU 173 N 0.11 0.67 -1.12 1.46 5.08 -1.14 -2.83 114.58 116.81 1mri h GLU 173 Ca 0.22 -0.04 -0.48 0.00 -1.00 0.00 0.00 59.36 58.06 1mri h GLU 173 Cb 0.32 -0.15 -0.24 0.00 0.50 0.00 0.00 28.75 29.18 1mri h GLU 173 CO -0.37 0.44 0.62 0.54 -1.00 0.00 0.00 179.01 179.24 1mri n ARG 174 N -4.82 2.18 0.17 2.33 1.74 0.92 -4.57 116.66 114.61 1mri n ARG 174 Ca 0.22 -2.50 0.05 0.00 -0.77 0.00 0.00 57.85 54.85 1mri n ARG 174 Cb 0.57 -1.98 0.15 0.00 -1.02 0.00 0.00 32.46 30.17 1mri n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mri h ALA 175 N 1.54 0.80 0.00 7.54 0.00 -1.23 -2.25 119.26 125.66 1mri h ALA 175 Ca 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1mri h ALA 175 Cb 1.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1mri h ALA 175 CO 1.09 0.48 0.00 0.66 0.00 0.00 0.00 179.25 181.48 1mri n TYR 176 N -3.26 0.00 -3.62 0.00 4.01 -1.26 -4.38 117.16 108.64 1mri n TYR 176 Ca 0.02 -0.30 -0.13 0.00 -0.16 0.00 0.00 57.90 57.33 1mri n TYR 176 Cb 0.64 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.57 1mri n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1mri s ARG 177 N -0.60 0.74 0.36 -0.72 3.52 -1.23 -4.97 118.95 116.05 1mri s ARG 177 Ca 0.00 0.79 -0.03 0.00 -0.13 0.00 0.00 55.73 56.36 1mri s ARG 177 Cb 0.00 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.71 1mri s ARG 177 CO 0.00 -0.11 0.61 -0.51 -0.81 0.00 0.00 175.30 174.49 1mri s ASP 178 N 0.17 6.35 -0.19 -2.12 1.01 -1.26 -4.41 116.67 116.22 1mri s ASP 178 Ca 0.00 0.68 -0.28 0.00 0.71 0.00 0.00 52.55 53.66 1mri s ASP 178 Cb -0.04 -2.13 0.10 0.00 1.01 0.00 0.00 42.92 41.85 1mri s ASP 178 CO -0.01 -0.33 0.87 -0.70 0.21 0.00 0.00 175.17 175.21 1mri s GLU 179 N -4.13 0.74 0.57 8.23 2.12 -0.09 -4.89 118.70 121.26 1mri s GLU 179 Ca 0.43 0.47 -0.20 0.00 0.36 0.00 0.00 54.97 56.03 1mri s GLU 179 Cb -0.10 0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.60 1mri s GLU 179 CO 0.36 -0.17 1.19 1.33 -0.54 0.00 0.00 175.26 177.43 1mri n VAL 180 N 1.57 3.87 -1.95 3.70 0.24 -1.26 -1.76 118.33 122.74 1mri n VAL 180 Ca -0.14 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.28 1mri n VAL 180 Cb 0.57 -1.42 0.02 0.00 -1.47 0.00 0.00 33.84 31.53 1mri n VAL 180 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1mri s PRO 181 N -2.85 3.37 0.78 7.34 0.04 -1.26 -4.84 135.00 137.59 1mri s PRO 181 Ca 0.74 2.08 -0.14 0.00 0.04 0.00 0.00 61.00 63.72 1mri s PRO 181 Cb -0.42 -2.32 0.06 0.00 0.04 0.00 0.00 34.50 31.85 1mri s PRO 181 CO 0.48 -0.95 1.11 0.43 0.04 0.00 0.00 177.00 178.10 1mri n SER 182 N -0.81 0.80 -0.36 6.66 7.64 -1.26 -4.87 113.62 121.42 1mri n SER 182 Ca 0.09 0.61 0.10 0.00 1.01 0.00 0.00 58.87 60.68 1mri n SER 182 Cb 0.46 -1.47 0.28 0.00 -1.01 0.00 0.00 64.21 62.47 1mri n SER 182 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1mri h LEU 183 N -0.69 0.86 -0.46 -3.43 4.07 -1.95 0.33 115.31 114.04 1mri h LEU 183 Ca -0.47 0.07 0.09 0.00 0.08 0.00 0.00 57.88 57.66 1mri h LEU 183 Cb 1.31 -0.09 -0.10 0.00 1.08 0.00 0.00 40.66 42.86 1mri h LEU 183 CO 0.46 0.38 -0.29 0.00 -1.08 0.00 0.00 178.44 177.91 1mri h ALA 184 N 1.59 -0.05 -0.17 1.53 0.00 -1.91 -0.80 119.26 119.46 1mri h ALA 184 Ca 0.54 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 55.42 1mri h ALA 184 Cb 0.70 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1mri h ALA 184 CO -0.32 -0.66 -0.58 1.79 0.00 0.00 0.00 179.25 179.48 1mri h THR 185 N -0.19 1.33 -0.51 0.00 1.35 -1.31 -1.89 112.91 111.69 1mri h THR 185 Ca 0.20 -1.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1mri h THR 185 Cb 0.52 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1mri h THR 185 CO -0.57 0.57 0.32 0.40 -0.25 0.00 0.00 175.52 175.99 1mri h ILE 186 N 0.41 1.15 0.32 6.82 1.08 -0.58 -0.33 117.51 126.38 1mri h ILE 186 Ca 0.00 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1mri h ILE 186 Cb 1.13 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1mri h ILE 186 CO 0.11 0.15 -0.45 -1.28 -0.69 0.00 0.00 178.15 175.99 1mri h SER 187 N 0.69 -1.26 -0.54 1.72 0.87 -0.60 -0.51 113.55 113.91 1mri h SER 187 Ca 0.18 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1mri h SER 187 Cb -0.03 0.44 -0.09 0.00 -0.44 0.00 0.00 62.40 62.28 1mri h SER 187 CO -0.04 -0.57 -0.55 -0.07 -0.53 0.00 0.00 176.83 175.08 1mri h LEU 188 N -0.82 -1.89 -0.93 2.23 4.07 -1.20 -0.04 115.31 116.74 1mri h LEU 188 Ca -0.02 0.26 0.24 0.00 0.08 0.00 0.00 57.88 58.44 1mri h LEU 188 Cb 0.76 0.79 -0.17 0.00 1.08 0.00 0.00 40.66 43.12 1mri h LEU 188 CO -0.14 -0.35 0.03 -0.33 -1.08 0.00 0.00 178.44 176.58 1mri h GLU 189 N -0.29 0.05 -0.03 1.13 5.08 -0.50 0.31 114.58 120.33 1mri h GLU 189 Ca 0.09 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1mri h GLU 189 Cb 0.53 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1mri h GLU 189 CO -0.66 0.03 -0.77 -0.91 -1.00 0.00 0.00 179.01 175.70 1mri h ASN 190 N 0.05 0.29 0.43 1.42 2.35 -0.11 -3.32 115.58 116.69 1mri h ASN 190 Ca 0.55 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1mri h ASN 190 Cb 1.09 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1mri h ASN 190 CO -0.84 0.95 -0.08 -1.20 -1.65 0.00 0.00 177.43 174.61 1mri n SER 191 N -3.75 0.31 -0.21 5.81 7.64 0.11 -4.36 113.62 119.16 1mri n SER 191 Ca -0.03 -0.43 0.01 0.00 1.01 0.00 0.00 58.87 59.43 1mri n SER 191 Cb 0.73 -0.13 0.10 0.00 -1.01 0.00 0.00 64.21 63.89 1mri n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1mri h TRP 192 N 0.36 -0.10 0.05 1.43 7.01 -1.57 0.29 115.95 123.42 1mri h TRP 192 Ca 0.00 0.05 -0.23 0.00 2.11 0.00 0.00 58.89 60.81 1mri h TRP 192 Cb 0.34 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 1mri h TRP 192 CO 0.00 -0.19 -1.08 0.66 -2.79 0.00 0.00 178.44 175.04 1mri h SER 193 N 0.09 0.20 -0.11 2.65 4.64 -1.89 -0.33 113.55 118.81 1mri h SER 193 Ca 0.32 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1mri h SER 193 Cb 0.53 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1mri h SER 193 CO -0.56 1.14 -0.01 1.23 -0.87 0.00 0.00 176.83 177.76 1mri h GLY 194 N 2.27 0.23 0.31 -0.77 0.00 -1.65 -1.47 103.07 101.98 1mri h GLY 194 Ca -0.06 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.18 1mri h GLY 194 CO 0.16 0.16 0.05 1.41 0.00 0.00 0.00 176.54 178.32 1mri h LEU 195 N -0.08 -0.09 -1.23 3.11 3.38 -0.45 -1.31 115.31 118.64 1mri h LEU 195 Ca 0.03 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1mri h LEU 195 Cb 0.39 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1mri h LEU 195 CO 0.01 -0.01 0.55 0.28 0.09 0.00 0.00 178.44 179.35 1mri h SER 196 N 0.18 0.83 0.07 -0.43 0.02 -0.84 -0.97 113.55 112.40 1mri h SER 196 Ca 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1mri h SER 196 Cb 0.33 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1mri h SER 196 CO -0.35 0.54 -0.04 0.50 -1.14 0.00 0.00 176.83 176.35 1mri h LYS 197 N 0.94 -0.10 -0.88 3.45 3.64 -0.74 -2.77 116.57 120.12 1mri h LYS 197 Ca 0.35 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.89 1mri h LYS 197 Cb 0.19 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.93 1mri h LYS 197 CO -0.12 0.46 0.47 1.96 -2.27 0.00 0.00 179.45 179.94 1mri h GLN 198 N -0.88 0.64 -0.70 1.90 1.08 -1.22 0.99 115.11 116.90 1mri h GLN 198 Ca -0.01 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 1mri h GLN 198 Cb 0.60 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1mri h GLN 198 CO 0.02 0.42 0.22 0.82 -0.95 0.00 0.00 178.83 179.36 1mri h ILE 199 N 0.66 1.25 -0.29 2.54 2.04 -1.21 -2.29 117.51 120.21 1mri h ILE 199 Ca 0.48 -0.87 -0.17 0.00 1.00 0.00 0.00 64.86 65.30 1mri h ILE 199 Cb 0.69 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1mri h ILE 199 CO -0.37 0.34 -0.49 1.56 0.00 0.00 0.00 178.15 179.20 1mri h GLN 200 N 1.04 0.79 0.00 2.37 4.20 -1.04 -3.02 115.11 119.45 1mri h GLN 200 Ca 0.23 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1mri h GLN 200 Cb 0.29 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1mri h GLN 200 CO -0.01 1.10 0.00 1.28 -0.67 0.00 0.00 178.83 180.53 1mri n LEU 201 N -4.01 0.00 -0.01 1.46 4.32 0.26 -2.94 117.00 116.09 1mri n LEU 201 Ca -0.03 0.39 -0.06 0.00 -0.02 0.00 0.00 56.01 56.29 1mri n LEU 201 Cb 0.59 -0.39 -0.12 0.00 -1.62 0.00 0.00 43.42 41.88 1mri n LEU 201 CO 0.49 -0.21 -0.47 0.00 -1.22 0.00 0.00 177.39 175.98 1mri n ALA 202 N -1.39 1.65 -1.68 -1.18 0.00 -0.89 -4.46 120.51 112.57 1mri n ALA 202 Ca 0.05 -0.71 -0.46 0.00 0.00 0.00 0.00 53.44 52.33 1mri n ALA 202 Cb 0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 1mri n ALA 202 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mri n GLN 203 N -2.98 2.23 -0.88 0.00 6.02 -1.15 -0.11 117.38 120.51 1mri n GLN 203 Ca -0.15 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1mri n GLN 203 Cb 0.98 -2.59 0.00 0.00 1.02 0.00 0.00 30.24 29.65 1mri n GLN 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mri n GLY 204 N 3.54 0.70 0.26 1.08 0.00 -1.26 -4.82 105.19 104.69 1mri n GLY 204 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1mri n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mri n ASN 205 N -0.02 2.57 -0.04 1.61 4.05 0.84 -4.99 115.26 119.27 1mri n ASN 205 Ca 0.00 -2.57 -0.00 0.00 0.45 0.00 0.00 54.58 52.46 1mri n ASN 205 Cb 0.01 -0.28 -0.00 0.00 1.23 0.00 0.00 39.78 40.74 1mri n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1mri n ASN 206 N -0.70 -1.29 0.00 1.20 3.02 -1.06 -2.93 115.26 113.50 1mri n ASN 206 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1mri n ASN 206 Cb 0.52 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1mri n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mri n GLY 207 N -1.20 0.67 3.83 7.41 0.00 -0.86 -4.95 105.19 110.09 1mri n GLY 207 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1mri n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mri s ILE 208 N -2.94 4.82 0.23 -0.61 1.01 -1.15 -0.80 121.20 121.77 1mri s ILE 208 Ca 0.00 1.01 -0.25 0.00 0.00 0.00 0.00 60.65 61.41 1mri s ILE 208 Cb 0.00 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1mri s ILE 208 CO 0.00 0.43 0.84 -0.36 0.00 0.00 0.00 174.94 175.85 1mri s PHE 209 N -1.26 3.82 0.08 3.97 0.40 -0.66 -4.25 117.98 120.09 1mri s PHE 209 Ca 0.32 1.68 -0.14 0.00 -0.60 0.00 0.00 56.93 58.19 1mri s PHE 209 Cb -0.17 -2.82 -0.20 0.00 0.51 0.00 0.00 43.02 40.34 1mri s PHE 209 CO 0.18 0.39 1.24 0.00 0.70 0.00 0.00 175.22 177.73 1mri h ARG 210 N 3.80 0.73 -4.67 0.44 2.47 -1.86 -3.43 114.38 111.86 1mri h ARG 210 Ca -0.47 -0.68 -0.49 0.00 -1.26 0.00 0.00 59.98 57.08 1mri h ARG 210 Cb 1.20 0.17 -0.32 0.00 -1.65 0.00 0.00 29.97 29.36 1mri h ARG 210 CO 0.66 1.27 -0.81 0.99 0.56 0.00 0.00 179.97 182.65 1mri s THR 211 N -3.53 1.04 -0.11 2.04 2.01 -1.26 -5.14 115.64 110.69 1mri s THR 211 Ca -0.10 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 1mri s THR 211 Cb 0.07 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 1mri s THR 211 CO 0.91 0.32 0.86 -2.84 -0.69 0.00 0.00 174.62 173.18 1mri s PRO 212 N 0.42 4.40 -0.23 4.92 0.02 -1.26 -4.93 135.00 138.33 1mri s PRO 212 Ca -0.09 1.12 -0.27 0.00 0.02 0.00 0.00 61.00 61.78 1mri s PRO 212 Cb -0.13 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1mri s PRO 212 CO 0.02 -0.19 0.95 0.42 -0.33 0.00 0.00 177.00 177.87 1mri s ILE 213 N 1.63 4.75 -0.40 2.83 -1.09 -0.60 -4.82 121.20 123.50 1mri s ILE 213 Ca 0.42 1.83 -0.16 0.00 -2.23 0.00 0.00 60.65 60.51 1mri s ILE 213 Cb -0.18 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.49 1mri s ILE 213 CO 0.17 -0.13 0.39 0.54 -1.23 0.00 0.00 174.94 174.68 1mri s VAL 214 N 3.03 5.14 0.14 2.92 0.11 -1.26 0.00 120.40 130.49 1mri s VAL 214 Ca 0.40 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1mri s VAL 214 Cb -0.15 -3.96 -0.05 0.00 -1.53 0.00 0.00 36.38 30.69 1mri s VAL 214 CO 0.07 -0.32 0.34 -0.76 -3.33 0.00 0.00 175.10 171.10 1mri s LEU 215 N 2.02 4.28 -0.15 2.54 1.43 0.35 -4.91 118.68 124.24 1mri s LEU 215 Ca 0.11 0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 1mri s LEU 215 Cb -0.17 -3.20 -0.25 0.00 0.03 0.00 0.00 46.19 42.60 1mri s LEU 215 CO 0.12 0.05 0.70 0.58 0.23 0.00 0.00 176.35 178.04 1mri h VAL 216 N 1.92 1.67 0.00 -1.59 2.07 -1.90 0.64 116.25 119.06 1mri h VAL 216 Ca -0.46 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 64.76 1mri h VAL 216 Cb 1.17 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.15 1mri h VAL 216 CO 0.72 0.57 0.00 -0.67 0.02 0.00 0.00 177.57 178.21 1mri n ASP 217 N -4.60 0.00 -3.03 0.57 2.03 -1.26 -2.61 116.55 107.65 1mri n ASP 217 Ca -0.12 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.83 1mri n ASP 217 Cb 0.49 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1mri n ASP 217 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1mri n ASN 218 N -2.73 7.27 -3.12 1.67 5.03 -1.26 -3.73 115.26 118.39 1mri n ASN 218 Ca 0.00 -3.49 -0.22 0.00 0.87 0.00 0.00 54.58 51.74 1mri n ASN 218 Cb 0.00 -1.19 -0.04 0.00 -1.02 0.00 0.00 39.78 37.53 1mri n ASN 218 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1mri n LYS 219 N 0.39 1.77 0.00 3.52 4.81 -1.07 -5.07 118.16 122.52 1mri n LYS 219 Ca 0.53 -3.92 0.00 0.00 -0.87 0.00 0.00 58.31 54.04 1mri n LYS 219 Cb 0.34 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1mri n LYS 219 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mri n GLY 220 N 0.24 0.09 2.82 3.14 0.00 -1.24 -2.81 105.19 107.43 1mri n GLY 220 Ca 0.27 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.46 1mri n GLY 220 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mri s ASN 221 N -3.20 0.93 0.00 1.61 2.47 -1.26 -4.84 114.94 110.65 1mri s ASN 221 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.21 1mri s ASN 221 Cb 0.00 -0.35 0.00 0.00 -1.45 0.00 0.00 41.25 39.45 1mri s ASN 221 CO 0.00 -0.12 0.00 0.54 -3.72 0.00 0.00 177.10 173.80 1mri n ARG 222 N 4.42 0.00 -4.16 0.43 5.12 -1.12 -5.03 116.66 116.31 1mri n ARG 222 Ca -0.20 0.16 -0.23 0.00 -1.93 0.00 0.00 57.85 55.65 1mri n ARG 222 Cb 0.50 -0.48 -0.05 0.00 -1.16 0.00 0.00 32.46 31.27 1mri n ARG 222 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1mri s VAL 223 N -0.65 4.17 -0.11 1.55 1.01 0.22 -4.98 120.40 121.61 1mri s VAL 223 Ca 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1mri s VAL 223 Cb 0.00 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.19 1mri s VAL 223 CO 0.00 -0.33 0.05 -1.10 0.00 0.00 0.00 175.10 173.72 1mri s GLN 224 N -3.70 0.30 0.04 2.72 -0.21 -1.26 -0.50 119.66 117.05 1mri s GLN 224 Ca 0.32 0.02 -0.26 0.00 0.02 0.00 0.00 55.36 55.46 1mri s GLN 224 Cb -0.08 -1.32 -0.05 0.00 1.00 0.00 0.00 33.01 32.56 1mri s GLN 224 CO 0.23 -0.48 0.80 0.42 -2.12 0.00 0.00 175.29 174.14 1mri s ILE 225 N 2.04 4.74 0.00 1.08 -1.09 0.10 -4.95 121.20 123.12 1mri s ILE 225 Ca 0.03 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 1mri s ILE 225 Cb -0.14 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1mri s ILE 225 CO -0.06 0.33 0.00 0.35 -1.23 0.00 0.00 174.94 174.33 1mri n THR 226 N 2.97 0.00 -3.99 2.92 -2.24 -1.26 -1.56 114.28 111.12 1mri n THR 226 Ca -0.01 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1mri n THR 226 Cb 0.50 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1mri n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1mri s ASN 227 N -0.49 0.42 0.00 3.42 2.20 -1.26 -1.65 114.94 117.57 1mri s ASN 227 Ca 0.00 -1.25 0.29 0.00 -0.94 0.00 0.00 52.86 50.96 1mri s ASN 227 Cb 0.00 0.70 1.25 0.00 -2.00 0.00 0.00 41.25 41.20 1mri s ASN 227 CO 0.00 -1.37 1.86 1.33 -2.94 0.00 0.00 177.10 175.98 1mri n VAL 228 N -0.51 0.00 0.14 3.54 0.24 0.02 -3.54 118.33 118.22 1mri n VAL 228 Ca -0.02 -0.18 0.09 0.00 -2.04 0.00 0.00 64.34 62.18 1mri n VAL 228 Cb 0.61 0.25 0.06 0.00 -1.47 0.00 0.00 33.84 33.28 1mri n VAL 228 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1mri h THR 229 N 1.73 0.19 -2.49 3.34 1.35 -1.98 -3.37 112.91 111.68 1mri h THR 229 Ca 0.00 -1.30 -0.60 0.00 -0.55 0.00 0.00 66.41 63.96 1mri h THR 229 Cb 0.38 1.88 0.15 0.00 -1.73 0.00 0.00 68.15 68.84 1mri h THR 229 CO 0.00 0.11 -0.42 -0.24 -0.25 0.00 0.00 175.52 174.71 1mri n SER 230 N -2.94 -1.00 0.14 5.36 2.88 -1.23 -4.55 113.62 112.27 1mri n SER 230 Ca 0.01 0.86 0.13 0.00 -1.33 0.00 0.00 58.87 58.53 1mri n SER 230 Cb 0.61 -1.12 0.30 0.00 -0.75 0.00 0.00 64.21 63.25 1mri n SER 230 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1mri h LYS 231 N 0.65 0.00 0.00 -1.46 -0.00 -1.93 -0.65 116.57 113.19 1mri h LYS 231 Ca -0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.23 1mri h LYS 231 Cb 1.40 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.63 1mri h LYS 231 CO 0.50 0.00 -0.00 -0.24 -0.00 0.00 0.00 179.45 179.71 1mri h VAL 232 N 0.00 0.02 0.00 0.07 3.04 -1.95 0.49 116.25 117.92 1mri h VAL 232 Ca 0.00 -0.19 -0.36 0.00 -1.01 0.00 0.00 66.70 65.15 1mri h VAL 232 Cb 0.83 1.18 -0.05 0.00 -2.01 0.00 0.00 31.29 31.24 1mri h VAL 232 CO 0.00 0.00 -2.02 0.52 -1.01 0.00 0.00 177.57 175.06 1mri n VAL 233 N -3.10 1.53 0.20 1.51 0.31 -0.49 -0.21 118.33 118.07 1mri n VAL 233 Ca -0.02 -0.23 0.06 0.00 -0.01 0.00 0.00 64.34 64.14 1mri n VAL 233 Cb 0.16 -1.97 0.41 0.00 -0.91 0.00 0.00 33.84 31.52 1mri n VAL 233 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1mri h THR 234 N -1.00 0.90 0.00 2.52 1.35 -1.08 -3.38 112.91 112.22 1mri h THR 234 Ca -0.54 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1mri h THR 234 Cb 1.45 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1mri h THR 234 CO -0.33 0.32 -0.68 -1.20 -0.25 0.00 0.00 175.52 173.39 1mri n SER 235 N -3.65 3.41 0.00 5.36 7.64 0.16 -5.01 113.62 121.52 1mri n SER 235 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1mri n SER 235 Cb 0.44 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1mri n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1mri n ASN 236 N -1.27 0.00 -4.65 6.43 2.85 -0.45 -4.78 115.26 113.39 1mri n ASN 236 Ca 0.00 0.00 -0.46 0.00 -0.11 0.00 0.00 54.58 54.01 1mri n ASN 236 Cb 0.17 -0.17 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 1mri n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mri n ILE 237 N -1.84 0.46 -0.00 -1.44 3.06 0.71 -1.70 119.36 118.60 1mri n ILE 237 Ca 0.00 -0.12 0.03 0.00 -2.50 0.00 0.00 62.75 60.16 1mri n ILE 237 Cb 0.00 -1.37 -0.04 0.00 0.54 0.00 0.00 39.64 38.77 1mri n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mri n GLN 238 N 2.60 0.28 -3.81 9.51 1.13 0.12 -4.91 117.38 122.31 1mri n GLN 238 Ca 0.15 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 1mri n GLN 238 Cb 0.28 -1.13 -0.13 0.00 0.11 0.00 0.00 30.24 29.38 1mri n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1mri s LEU 239 N -3.42 1.28 -0.08 1.08 1.43 -1.24 -4.37 118.68 113.35 1mri s LEU 239 Ca -0.02 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1mri s LEU 239 Cb 0.03 0.54 -0.03 0.00 0.03 0.00 0.00 46.19 46.76 1mri s LEU 239 CO 0.23 -0.07 -0.04 -0.76 0.23 0.00 0.00 176.35 175.94 1mri s LEU 240 N 0.25 3.31 -0.13 1.79 1.43 -0.40 -4.97 118.68 119.96 1mri s LEU 240 Ca -0.01 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1mri s LEU 240 Cb -0.03 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1mri s LEU 240 CO -0.01 0.35 0.93 -0.22 0.23 0.00 0.00 176.35 177.63 1mri s LEU 241 N -0.73 4.22 0.30 1.79 2.96 -1.26 -1.15 118.68 124.81 1mri s LEU 241 Ca 0.11 1.38 -0.29 0.00 -0.22 0.00 0.00 54.13 55.11 1mri s LEU 241 Cb -0.11 -3.42 -0.11 0.00 0.50 0.00 0.00 46.19 43.05 1mri s LEU 241 CO 0.02 -0.41 1.48 0.21 -1.32 0.00 0.00 176.35 176.33 1mri s ASN 242 N 1.10 6.51 0.29 3.68 3.04 -1.26 -4.67 114.94 123.63 1mri s ASN 242 Ca 0.44 2.85 0.24 0.00 0.04 0.00 0.00 52.86 56.43 1mri s ASN 242 Cb -0.18 -2.64 1.03 0.00 -1.54 0.00 0.00 41.25 37.92 1mri s ASN 242 CO 0.16 -0.79 1.73 0.71 -3.04 0.00 0.00 177.10 175.88 1mri h THR 243 N 3.30 0.00 -0.15 -5.21 1.35 -1.92 0.39 112.91 110.66 1mri h THR 243 Ca -0.48 -0.24 0.04 0.00 -0.55 0.00 0.00 66.41 65.18 1mri h THR 243 Cb 1.22 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1mri h THR 243 CO 0.74 0.00 0.13 0.03 -0.25 0.00 0.00 175.52 176.17 1mri h ARG 244 N 0.00 0.00 -0.35 4.72 2.47 -1.94 -2.64 114.38 116.64 1mri h ARG 244 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1mri h ARG 244 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1mri h ARG 244 CO 0.00 0.00 0.00 0.09 0.56 0.00 0.00 179.97 180.62 1mri n ASN 245 N -4.12 3.78 -0.61 7.04 4.13 0.12 -5.14 115.26 120.47 1mri n ASN 245 Ca 0.01 -2.62 0.08 0.00 1.68 0.00 0.00 54.58 53.72 1mri n ASN 245 Cb 0.26 -0.46 0.06 0.00 -1.54 0.00 0.00 39.78 38.10 1mri n ASN 245 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16