#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mry s VAL 2 N 0.00 1.28 -0.02 2.53 -7.23 -0.88 -5.03 120.40 111.05 3mry s VAL 2 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 3mry s VAL 2 Cb 0.00 -2.82 0.03 0.00 0.56 0.00 0.00 36.38 34.15 3mry s VAL 2 CO 0.00 0.00 0.38 -0.44 -0.31 0.00 0.00 175.10 174.73 3mry s SER 3 N -3.51 -0.27 -0.20 4.85 0.01 -1.26 -0.15 113.70 113.15 3mry s SER 3 Ca 0.36 0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.70 3mry s SER 3 Cb 0.09 0.36 0.07 0.00 0.21 0.00 0.00 66.02 66.74 3mry s SER 3 CO 0.16 -0.49 0.49 0.12 0.41 0.00 0.00 173.24 173.93 3mry s PHE 4 N -1.38 -0.76 -0.18 2.43 5.36 -0.49 -4.80 117.98 118.16 3mry s PHE 4 Ca -0.13 1.56 -0.03 0.00 -0.96 0.00 0.00 56.93 57.37 3mry s PHE 4 Cb -0.04 0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 43.00 3mry s PHE 4 CO 0.05 -0.41 -0.05 1.03 -1.46 0.00 0.00 175.22 174.38 3mry s ARG 5 N 1.58 3.53 0.33 10.12 0.52 -1.26 -1.65 118.95 132.12 3mry s ARG 5 Ca -0.09 -0.58 0.17 0.00 -0.52 0.00 0.00 55.73 54.71 3mry s ARG 5 Cb -0.08 -2.93 0.48 0.00 0.52 0.00 0.00 34.95 32.94 3mry s ARG 5 CO -0.15 0.06 1.64 -0.07 0.02 0.00 0.00 175.30 176.80 3mry h LEU 6 N 7.27 0.00 -9.02 2.53 -0.00 -1.46 -3.35 115.31 111.29 3mry h LEU 6 Ca -0.34 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.97 3mry h LEU 6 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.82 3mry h LEU 6 CO 0.60 0.46 1.13 -0.55 -0.00 0.00 0.00 178.44 180.08 3mry s SER 7 N -6.49 6.36 0.00 -0.43 0.15 -1.26 -1.84 113.70 110.19 3mry s SER 7 Ca 0.01 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.24 3mry s SER 7 Cb 0.10 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3mry s SER 7 CO 0.71 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 174.48 3mry n GLY 8 N 4.70 0.79 3.77 9.45 0.00 -1.26 -5.01 105.19 117.62 3mry n GLY 8 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3mry n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mry s ALA 9 N -3.08 3.12 0.34 4.61 0.00 -0.76 -4.99 121.76 120.99 3mry s ALA 9 Ca 0.00 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.14 3mry s ALA 9 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3mry s ALA 9 CO 0.00 -0.77 0.30 0.16 0.00 0.00 0.00 175.76 175.45 3mry s ASP 10 N -1.01 1.71 0.57 0.00 -4.77 -1.26 -5.01 116.67 106.90 3mry s ASP 10 Ca 0.60 -1.76 0.27 0.00 -3.30 0.00 0.00 52.55 48.36 3mry s ASP 10 Cb -0.34 0.57 1.60 0.00 -1.09 0.00 0.00 42.92 43.66 3mry s ASP 10 CO 0.43 -1.09 2.10 -0.65 0.70 0.00 0.00 175.17 176.66 3mry h PRO 11 N 2.11 0.00 0.20 2.11 0.11 -1.96 -2.40 132.00 132.17 3mry h PRO 11 Ca -0.25 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.54 3mry h PRO 11 Cb 1.23 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 3mry h PRO 11 CO 0.36 0.00 -1.51 1.03 -0.21 0.00 0.00 178.00 177.67 3mry h SER 12 N 0.00 0.66 0.31 -2.05 0.87 -1.97 -1.73 113.55 109.65 3mry h SER 12 Ca 0.09 -0.92 -0.09 0.00 -1.23 0.00 0.00 61.79 59.64 3mry h SER 12 Cb 0.46 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3mry h SER 12 CO -0.00 1.70 -0.39 0.77 -0.53 0.00 0.00 176.83 178.38 3mry h SER 13 N 0.02 0.11 -0.27 6.23 4.64 -1.86 -0.73 113.55 121.70 3mry h SER 13 Ca -0.29 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 60.91 3mry h SER 13 Cb 2.04 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 64.09 3mry h SER 13 CO 0.20 0.50 -0.13 0.22 -0.87 0.00 0.00 176.83 176.74 3mry h TYR 14 N 0.10 0.65 -0.70 4.77 3.20 -1.52 -1.19 116.97 122.27 3mry h TYR 14 Ca 0.01 -0.16 0.07 0.00 3.14 0.00 0.00 58.73 61.79 3mry h TYR 14 Cb 0.73 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 3mry h TYR 14 CO 0.01 0.81 0.38 0.78 -1.64 0.00 0.00 178.16 178.50 3mry h GLY 15 N 0.30 1.05 1.10 1.82 0.00 -1.03 -0.10 103.07 106.20 3mry h GLY 15 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3mry h GLY 15 CO 0.04 0.12 0.29 -0.33 0.00 0.00 0.00 176.54 176.66 3mry h MET 16 N 0.67 1.14 -0.45 4.80 2.86 -1.03 -0.05 114.93 122.87 3mry h MET 16 Ca 0.33 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3mry h MET 16 Cb 0.27 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3mry h MET 16 CO -0.22 0.93 0.03 0.35 1.06 0.00 0.00 176.91 179.06 3mry h PHE 17 N 1.11 0.83 -0.38 -0.22 3.57 -0.46 -2.29 116.94 119.10 3mry h PHE 17 Ca 0.25 -0.13 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 3mry h PHE 17 Cb 0.23 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3mry h PHE 17 CO 0.02 0.80 -0.32 0.82 -2.23 0.00 0.00 178.31 177.40 3mry h ILE 18 N 0.62 1.28 -0.21 1.41 1.08 -0.75 0.69 117.51 121.63 3mry h ILE 18 Ca 0.13 -1.48 0.05 0.00 -0.39 0.00 0.00 64.86 63.18 3mry h ILE 18 Cb 0.44 1.32 -0.07 0.00 -3.07 0.00 0.00 36.82 35.44 3mry h ILE 18 CO 0.02 0.49 -0.38 0.50 -0.69 0.00 0.00 178.15 178.09 3mry h LYS 19 N 0.71 -0.39 -0.85 2.37 3.64 -0.99 -1.45 116.57 119.60 3mry h LYS 19 Ca 0.08 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3mry h LYS 19 Cb 0.87 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 3mry h LYS 19 CO 0.08 -0.26 0.54 -0.44 -2.27 0.00 0.00 179.45 177.10 3mry h ASP 20 N -0.40 0.89 -0.39 4.20 3.32 -0.89 -0.77 116.42 122.38 3mry h ASP 20 Ca 0.11 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3mry h ASP 20 Cb 0.58 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3mry h ASP 20 CO -0.43 0.61 0.22 0.25 -1.72 0.00 0.00 179.24 178.16 3mry h LEU 21 N 1.04 0.48 -0.54 1.55 5.85 -0.78 -0.66 115.31 122.26 3mry h LEU 21 Ca 0.34 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3mry h LEU 21 Cb 0.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3mry h LEU 21 CO -0.13 0.43 0.35 0.03 -0.34 0.00 0.00 178.44 178.78 3mry h ARG 22 N 0.50 0.68 0.00 1.25 3.08 -0.67 -2.68 114.38 116.54 3mry h ARG 22 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3mry h ARG 22 Cb 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3mry h ARG 22 CO -0.02 0.45 0.00 0.09 -1.07 0.00 0.00 179.97 179.42 3mry n ASN 23 N -4.74 0.00 0.14 7.04 5.03 -0.35 -1.84 115.26 120.55 3mry n ASN 23 Ca 0.04 0.45 0.12 0.00 0.87 0.00 0.00 54.58 56.05 3mry n ASN 23 Cb 0.04 -0.48 0.20 0.00 -1.02 0.00 0.00 39.78 38.52 3mry n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mry h ALA 24 N 2.76 0.83 -2.24 5.41 0.00 -0.76 -3.45 119.26 121.81 3mry h ALA 24 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 3mry h ALA 24 Cb 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 3mry h ALA 24 CO 0.00 0.00 0.36 -0.51 0.00 0.00 0.00 179.25 179.10 3mry s LEU 25 N -5.27 4.10 0.54 0.00 1.43 -0.77 -5.03 118.68 113.69 3mry s LEU 25 Ca 0.06 0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 53.55 3mry s LEU 25 Cb 0.09 -3.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.21 3mry s LEU 25 CO 0.68 -0.63 1.03 -2.16 0.23 0.00 0.00 176.35 175.50 3mry s PRO 26 N 2.96 3.65 0.00 1.29 0.04 -1.26 -5.05 135.00 136.63 3mry s PRO 26 Ca 0.31 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 3mry s PRO 26 Cb -0.14 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.36 3mry s PRO 26 CO 0.14 -0.54 0.48 -3.38 0.04 0.00 0.00 177.00 173.74 3mry s HIS 27 N -2.37 -0.39 -0.34 0.56 -3.43 -1.26 -3.99 115.29 104.07 3mry s HIS 27 Ca 0.63 0.54 0.08 0.00 -0.80 0.00 0.00 55.06 55.52 3mry s HIS 27 Cb -0.14 0.27 -0.10 0.00 -1.43 0.00 0.00 32.58 31.18 3mry s HIS 27 CO 0.30 -0.55 0.33 0.25 -2.00 0.00 0.00 174.74 173.07 3mry n THR 28 N 0.79 0.00 -3.94 -5.38 -2.24 -1.26 -5.03 114.28 97.22 3mry n THR 28 Ca -0.19 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 3mry n THR 28 Cb 0.58 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 3mry n THR 28 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mry s GLU 29 N -1.88 0.35 -0.06 -0.78 2.12 -1.26 -5.10 118.70 112.09 3mry s GLU 29 Ca 0.02 -0.52 0.06 0.00 0.36 0.00 0.00 54.97 54.89 3mry s GLU 29 Cb 0.06 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 3mry s GLU 29 CO 0.34 -0.07 -0.23 0.15 -0.54 0.00 0.00 175.26 174.91 3mry s LYS 30 N -1.37 2.55 -0.16 4.30 1.02 -1.26 -1.12 119.74 123.70 3mry s LYS 30 Ca -0.15 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 54.96 3mry s LYS 30 Cb -0.09 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 3mry s LYS 30 CO -0.00 0.42 -0.10 0.08 -0.92 0.00 0.00 175.35 174.83 3mry s VAL 31 N -0.25 3.16 -1.25 3.17 1.01 -0.33 -4.44 120.40 121.47 3mry s VAL 31 Ca -0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 3mry s VAL 31 Cb -0.13 -2.37 0.13 0.00 0.00 0.00 0.00 36.38 34.01 3mry s VAL 31 CO 0.03 0.49 0.44 -1.22 0.00 0.00 0.00 175.10 174.84 3mry n TYR 32 N 4.01 -1.56 -3.02 5.22 4.01 -1.26 -1.13 117.16 123.43 3mry n TYR 32 Ca -0.18 0.47 -0.12 0.00 -0.16 0.00 0.00 57.90 57.90 3mry n TYR 32 Cb 0.52 -1.98 0.05 0.00 -0.31 0.00 0.00 39.34 37.62 3mry n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mry n ASN 33 N -2.19 -3.13 -3.70 7.72 5.15 -1.26 -5.00 115.26 112.84 3mry n ASN 33 Ca 0.06 -0.37 -0.23 0.00 -0.60 0.00 0.00 54.58 53.43 3mry n ASN 33 Cb 0.49 -3.39 -0.17 0.00 -0.53 0.00 0.00 39.78 36.17 3mry n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mry s ILE 34 N -3.22 0.15 -0.03 -1.44 1.01 -0.28 -5.10 121.20 112.30 3mry s ILE 34 Ca 0.15 0.08 -0.40 0.00 0.00 0.00 0.00 60.65 60.49 3mry s ILE 34 Cb -0.07 -0.48 -0.19 0.00 0.01 0.00 0.00 42.46 41.74 3mry s ILE 34 CO 0.46 0.08 1.23 -2.65 0.00 0.00 0.00 174.94 174.06 3mry n PRO 35 N 5.21 0.42 -3.43 2.79 -0.02 -1.26 -1.19 135.00 137.52 3mry n PRO 35 Ca -0.06 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 3mry n PRO 35 Cb 0.49 -1.71 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 3mry n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mry s LEU 36 N 0.58 4.33 0.53 2.45 2.96 -0.27 -1.57 118.68 127.69 3mry s LEU 36 Ca 0.90 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 54.49 3mry s LEU 36 Cb -1.18 -2.32 -0.06 0.00 0.50 0.00 0.00 46.19 43.13 3mry s LEU 36 CO 0.56 -0.28 1.11 -0.76 -1.32 0.00 0.00 176.35 175.67 3mry s LEU 37 N 1.98 3.77 0.54 -0.68 1.43 0.22 -4.32 118.68 121.62 3mry s LEU 37 Ca 0.11 2.12 -0.21 0.00 -1.03 0.00 0.00 54.13 55.12 3mry s LEU 37 Cb -0.16 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.43 3mry s LEU 37 CO 0.11 -1.12 1.28 -0.76 0.23 0.00 0.00 176.35 176.09 3mry s LEU 38 N -3.74 3.85 0.20 1.79 1.43 -1.26 -3.94 118.68 117.00 3mry s LEU 38 Ca 0.71 2.57 -0.21 0.00 -1.03 0.00 0.00 54.13 56.18 3mry s LEU 38 Cb -0.22 -4.34 0.14 0.00 0.03 0.00 0.00 46.19 41.80 3mry s LEU 38 CO 0.25 -1.43 1.57 -0.65 0.23 0.00 0.00 176.35 176.33 3mry h PRO 39 N 1.46 -0.12 -2.73 1.29 0.11 -1.93 -3.44 132.00 126.64 3mry h PRO 39 Ca -0.50 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3mry h PRO 39 Cb 1.29 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 3mry h PRO 39 CO 0.57 -0.08 0.32 -1.54 -0.21 0.00 0.00 178.00 177.07 3mry s SER 40 N -5.23 -0.41 -0.02 -2.05 1.04 -1.26 -4.82 113.70 100.96 3mry s SER 40 Ca -0.14 -0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 3mry s SER 40 Cb 0.17 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.87 3mry s SER 40 CO 0.69 -0.94 0.03 -0.69 0.98 0.00 0.00 173.24 173.31 3mry s VAL 41 N -3.56 -0.05 0.06 5.02 1.01 -1.26 -5.06 120.40 116.55 3mry s VAL 41 Ca 0.05 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 3mry s VAL 41 Cb -0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 36.38 36.23 3mry s VAL 41 CO -0.06 0.07 0.42 -0.44 0.00 0.00 0.00 175.10 175.08 3mry s SER 42 N 0.86 6.72 0.00 3.32 0.01 -1.26 -4.47 113.70 118.88 3mry s SER 42 Ca -0.07 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.07 3mry s SER 42 Cb -0.10 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.91 3mry s SER 42 CO -0.03 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.46 3mry n GLY 43 N 1.22 -1.08 0.17 3.44 0.00 -1.26 -4.16 105.19 103.52 3mry n GLY 43 Ca -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 3mry n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mry h ALA 44 N 0.00 0.87 0.00 4.61 0.00 -1.93 -2.96 119.26 119.85 3mry h ALA 44 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3mry h ALA 44 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mry h ALA 44 CO 0.00 0.71 0.33 0.78 0.00 0.00 0.00 179.25 181.07 3mry h GLY 45 N 1.44 0.00 2.00 0.00 0.00 -1.94 0.26 103.07 104.83 3mry h GLY 45 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3mry h GLY 45 CO 0.09 0.00 -0.08 -0.09 0.00 0.00 0.00 176.54 176.46 3mry h ARG 46 N 0.00 0.00 -4.93 4.80 2.43 -1.72 -3.44 114.38 111.53 3mry h ARG 46 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 3mry h ARG 46 Cb 0.65 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.93 3mry h ARG 46 CO 0.00 0.08 -0.69 0.71 -1.51 0.00 0.00 179.97 178.56 3mry s TYR 47 N -4.48 3.04 -0.00 2.20 2.02 0.91 -0.61 117.35 120.43 3mry s TYR 47 Ca -0.04 -1.00 -0.26 0.00 -0.37 0.00 0.00 57.07 55.40 3mry s TYR 47 Cb 0.15 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 3mry s TYR 47 CO 0.60 -0.57 0.80 -1.17 -1.57 0.00 0.00 175.55 173.64 3mry s LEU 48 N 1.47 4.39 -0.34 -1.29 2.96 0.24 -4.84 118.68 121.26 3mry s LEU 48 Ca 0.04 1.43 -0.18 0.00 -0.22 0.00 0.00 54.13 55.20 3mry s LEU 48 Cb -0.15 -3.28 -0.00 0.00 0.50 0.00 0.00 46.19 43.25 3mry s LEU 48 CO -0.01 -0.10 0.52 -0.76 -1.32 0.00 0.00 176.35 174.67 3mry s LEU 49 N 0.50 4.32 -0.28 -0.68 1.43 -1.26 0.85 118.68 123.56 3mry s LEU 49 Ca 0.42 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 3mry s LEU 49 Cb -0.20 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3mry s LEU 49 CO 0.23 -0.47 0.33 -0.04 0.23 0.00 0.00 176.35 176.63 3mry s MET 50 N 2.40 3.96 -0.48 1.70 -1.94 0.51 -2.08 119.30 123.36 3mry s MET 50 Ca 0.19 -0.08 -0.22 0.00 -1.71 0.00 0.00 55.69 53.87 3mry s MET 50 Cb -0.15 -3.67 0.03 0.00 2.01 0.00 0.00 34.83 33.05 3mry s MET 50 CO 0.13 -0.28 0.76 -1.01 -0.01 0.00 0.00 175.02 174.61 3mry s HIS 51 N 2.00 2.97 -0.02 -0.03 0.09 0.78 -0.28 115.29 120.81 3mry s HIS 51 Ca 0.13 -0.05 -0.10 0.00 -0.00 0.00 0.00 55.06 55.04 3mry s HIS 51 Cb -0.16 -3.66 -0.05 0.00 -0.00 0.00 0.00 32.58 28.71 3mry s HIS 51 CO 0.10 -1.05 0.29 -0.51 -0.00 0.00 0.00 174.74 173.58 3mry s LEU 52 N 3.21 4.40 -0.09 0.89 1.43 -0.09 -1.40 118.68 127.04 3mry s LEU 52 Ca 0.26 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 54.04 3mry s LEU 52 Cb -0.14 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.57 3mry s LEU 52 CO 0.19 0.30 -0.06 -0.36 0.23 0.00 0.00 176.35 176.66 3mry s PHE 53 N -1.18 1.15 1.20 0.29 0.40 -0.66 -1.56 117.98 117.63 3mry s PHE 53 Ca 0.24 -0.48 -0.18 0.00 -0.60 0.00 0.00 56.93 55.90 3mry s PHE 53 Cb -0.14 -1.02 0.28 0.00 0.51 0.00 0.00 43.02 42.65 3mry s PHE 53 CO 0.12 -0.39 1.09 0.54 0.70 0.00 0.00 175.22 177.28 3mry s ASN 54 N 1.55 0.96 0.26 1.36 2.20 0.14 -1.43 114.94 119.97 3mry s ASN 54 Ca 0.00 0.75 -0.02 0.00 -0.94 0.00 0.00 52.86 52.66 3mry s ASN 54 Cb -0.13 -1.08 0.48 0.00 -2.00 0.00 0.00 41.25 38.52 3mry s ASN 54 CO -0.05 -4.11 1.79 0.22 -2.94 0.00 0.00 177.10 172.00 3mry h TYR 55 N -2.57 0.84 0.00 1.54 3.20 -1.88 0.24 116.97 118.34 3mry h TYR 55 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3mry h TYR 55 Cb 1.31 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.33 3mry h TYR 55 CO -1.82 0.27 0.00 -0.25 -1.64 0.00 0.00 178.16 174.72 3mry n ASP 56 N -4.80 0.00 0.00 -2.11 8.00 -1.26 -4.43 116.55 111.95 3mry n ASP 56 Ca 0.16 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3mry n ASP 56 Cb 0.37 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3mry n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mry n GLY 57 N 0.45 0.66 3.84 0.44 0.00 0.85 -5.06 105.19 106.36 3mry n GLY 57 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3mry n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mry s ASN 58 N -2.80 6.76 0.02 1.61 0.01 -1.26 -4.78 114.94 114.50 3mry s ASN 58 Ca 0.00 1.58 0.01 0.00 -0.71 0.00 0.00 52.86 53.74 3mry s ASN 58 Cb 0.00 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 3mry s ASN 58 CO 0.00 -0.46 -0.04 0.28 -1.51 0.00 0.00 177.10 175.37 3mry s THR 59 N -2.39 0.22 0.05 1.60 -1.32 -1.26 0.26 115.64 112.80 3mry s THR 59 Ca 0.59 -0.87 0.05 0.00 -1.21 0.00 0.00 61.69 60.25 3mry s THR 59 Cb -0.10 -0.33 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 3mry s THR 59 CO 0.23 -0.42 -0.14 0.27 -2.21 0.00 0.00 174.62 172.35 3mry s ILE 60 N -1.30 1.10 -0.19 5.08 -4.36 -0.60 -4.40 121.20 116.52 3mry s ILE 60 Ca -0.13 -1.15 -0.04 0.00 -0.26 0.00 0.00 60.65 59.08 3mry s ILE 60 Cb -0.09 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.57 3mry s ILE 60 CO -0.01 -0.11 -0.04 -0.89 0.24 0.00 0.00 174.94 174.13 3mry s THR 61 N -1.06 3.60 -0.13 8.37 2.01 -0.69 -0.91 115.64 126.83 3mry s THR 61 Ca -0.00 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 3mry s THR 61 Cb -0.09 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3mry s THR 61 CO 0.02 0.44 0.05 -0.69 -0.69 0.00 0.00 174.62 173.75 3mry s VAL 62 N 1.04 4.72 -0.25 3.82 1.01 0.61 0.25 120.40 131.60 3mry s VAL 62 Ca 0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3mry s VAL 62 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3mry s VAL 62 CO 0.01 0.55 0.27 0.00 0.00 0.00 0.00 175.10 175.93 3mry s ALA 63 N -0.43 3.57 -0.06 5.51 0.00 -0.51 -0.37 121.76 129.47 3mry s ALA 63 Ca 0.09 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.26 3mry s ALA 63 Cb -0.12 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 3mry s ALA 63 CO 0.02 -0.43 -0.24 0.08 0.00 0.00 0.00 175.76 175.19 3mry s VAL 64 N 1.55 2.00 -0.20 0.00 1.01 0.25 -1.05 120.40 123.96 3mry s VAL 64 Ca 0.12 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3mry s VAL 64 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3mry s VAL 64 CO 0.08 0.55 0.84 -0.62 0.00 0.00 0.00 175.10 175.96 3mry s ASP 65 N -0.04 6.91 0.00 3.32 -1.08 -0.74 0.79 116.67 125.84 3mry s ASP 65 Ca -0.07 1.13 0.25 0.00 -0.52 0.00 0.00 52.55 53.35 3mry s ASP 65 Cb -0.14 -2.45 1.27 0.00 -1.46 0.00 0.00 42.92 40.13 3mry s ASP 65 CO 0.05 -0.46 1.85 1.33 0.52 0.00 0.00 175.17 178.46 3mry n VAL 66 N 4.98 0.19 0.10 1.11 0.24 0.22 -0.59 118.33 124.58 3mry n VAL 66 Ca 0.05 0.05 0.10 0.00 -2.04 0.00 0.00 64.34 62.50 3mry n VAL 66 Cb 0.48 -0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 3mry n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3mry h THR 67 N 0.00 0.07 0.00 3.34 1.35 -1.85 -3.42 112.91 112.40 3mry h THR 67 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3mry h THR 67 Cb 0.26 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3mry h THR 67 CO 0.00 0.04 0.00 -0.46 -0.25 0.00 0.00 175.52 174.85 3mry n ASN 68 N -2.71 0.00 -1.68 5.36 0.23 -1.04 -4.61 115.26 110.81 3mry n ASN 68 Ca -0.01 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.58 52.85 3mry n ASN 68 Cb 0.59 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.24 3mry n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3mry n VAL 69 N 0.00 -0.35 -3.00 3.53 0.31 0.25 -4.96 118.33 114.11 3mry n VAL 69 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3mry n VAL 69 Cb 0.36 -2.16 -0.05 0.00 -0.91 0.00 0.00 33.84 31.08 3mry n VAL 69 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3mry s TYR 70 N -2.78 3.50 -0.00 3.52 5.04 -1.18 -4.77 117.35 120.67 3mry s TYR 70 Ca 0.00 1.21 -0.30 0.00 -2.44 0.00 0.00 57.07 55.54 3mry s TYR 70 Cb 0.00 -2.87 -0.04 0.00 0.35 0.00 0.00 41.96 39.40 3mry s TYR 70 CO 0.00 -0.05 1.14 0.42 -1.34 0.00 0.00 175.55 175.72 3mry s ILE 71 N 1.37 4.33 -0.17 3.14 1.01 -1.26 -1.79 121.20 127.82 3mry s ILE 71 Ca 0.37 1.66 0.18 0.00 0.00 0.00 0.00 60.65 62.86 3mry s ILE 71 Cb -0.17 -4.07 -0.25 0.00 0.01 0.00 0.00 42.46 37.98 3mry s ILE 71 CO 0.16 0.07 0.12 0.23 0.00 0.00 0.00 174.94 175.52 3mry n MET 72 N 4.45 0.77 -3.15 2.79 2.81 -0.22 -4.94 117.12 119.63 3mry n MET 72 Ca 0.09 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3mry n MET 72 Cb 0.47 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 3mry n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mry n GLY 73 N 1.72 -1.29 3.73 3.03 0.00 -1.25 -2.15 105.19 108.99 3mry n GLY 73 Ca -0.29 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 3mry n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mry s TYR 74 N -2.77 -0.26 -0.11 1.61 1.13 -0.59 -1.42 117.35 114.94 3mry s TYR 74 Ca 0.00 -0.10 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 3mry s TYR 74 Cb 0.00 0.66 0.01 0.00 -1.10 0.00 0.00 41.96 41.52 3mry s TYR 74 CO 0.00 -1.05 -0.21 -1.17 -2.51 0.00 0.00 175.55 170.62 3mry s LEU 75 N -2.86 1.99 -0.21 -3.49 2.96 0.14 -0.82 118.68 116.38 3mry s LEU 75 Ca 0.09 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3mry s LEU 75 Cb -0.04 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.38 3mry s LEU 75 CO 0.01 0.09 -0.16 0.00 -1.32 0.00 0.00 176.35 174.97 3mry s ALA 76 N 0.66 2.41 0.00 5.97 0.00 0.19 -1.70 121.76 129.29 3mry s ALA 76 Ca -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.42 3mry s ALA 76 Cb -0.16 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.62 3mry s ALA 76 CO 0.03 -0.67 0.00 -0.11 0.00 0.00 0.00 175.76 175.01 3mry n LEU 77 N 4.55 0.00 -0.64 0.00 7.94 -1.26 -0.58 117.00 127.02 3mry n LEU 77 Ca -0.18 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.78 3mry n LEU 77 Cb 0.47 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.59 3mry n LEU 77 CO 0.24 0.00 0.64 0.35 -1.11 0.00 0.00 177.39 177.51 3mry n THR 78 N 0.00 1.40 -4.93 1.96 -2.24 -1.26 -4.92 114.28 104.29 3mry n THR 78 Ca 0.00 -1.29 -0.33 0.00 -2.27 0.00 0.00 64.05 60.16 3mry n THR 78 Cb 0.00 0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 3mry n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3mry s THR 79 N -1.59 2.79 0.05 4.28 2.01 0.26 -0.84 115.64 122.60 3mry s THR 79 Ca 0.27 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3mry s THR 79 Cb 0.18 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3mry s THR 79 CO 0.12 0.55 0.15 -0.94 -0.69 0.00 0.00 174.62 173.81 3mry s SER 80 N 0.08 6.01 0.03 3.53 1.04 -0.97 -0.63 113.70 122.78 3mry s SER 80 Ca -0.07 0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.60 3mry s SER 80 Cb -0.15 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 3mry s SER 80 CO 0.05 0.19 -0.18 -0.31 0.98 0.00 0.00 173.24 173.98 3mry s TYR 81 N -1.41 1.56 0.00 5.02 1.51 -0.00 -0.39 117.35 123.65 3mry s TYR 81 Ca 0.31 -0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 55.96 3mry s TYR 81 Cb -0.13 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 3mry s TYR 81 CO 0.23 0.05 0.12 -0.06 -1.11 0.00 0.00 175.55 174.78 3mry s PHE 82 N -0.74 0.05 0.83 2.71 0.08 -0.67 -1.54 117.98 118.70 3mry s PHE 82 Ca 0.05 -0.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.86 3mry s PHE 82 Cb -0.08 -0.06 0.09 0.00 -0.57 0.00 0.00 43.02 42.40 3mry s PHE 82 CO 0.01 -0.26 1.11 -1.01 -0.10 0.00 0.00 175.22 174.98 3mry s HIS 83 N -1.28 2.21 -1.10 0.36 3.76 -0.91 -0.23 115.29 118.10 3mry s HIS 83 Ca -0.14 1.65 -0.12 0.00 -0.15 0.00 0.00 55.06 56.30 3mry s HIS 83 Cb -0.07 -3.16 0.22 0.00 1.11 0.00 0.00 32.58 30.68 3mry s HIS 83 CO 0.01 -2.19 1.19 1.21 -0.85 0.00 0.00 174.74 174.12 3mry s ASN 84 N -3.11 7.12 0.06 1.40 3.04 0.12 -4.57 114.94 118.99 3mry s ASN 84 Ca 0.63 -3.16 -0.26 0.00 0.04 0.00 0.00 52.86 50.11 3mry s ASN 84 Cb -0.19 -2.29 0.08 0.00 -1.54 0.00 0.00 41.25 37.30 3mry s ASN 84 CO 0.57 -0.54 0.67 -1.83 -3.04 0.00 0.00 177.10 172.92 3mry s GLU 85 N 0.22 1.13 0.24 0.43 -1.05 -1.26 -3.74 118.70 114.68 3mry s GLU 85 Ca 0.34 -0.19 -0.06 0.00 -0.15 0.00 0.00 54.97 54.91 3mry s GLU 85 Cb -0.07 0.53 0.28 0.00 -0.44 0.00 0.00 34.13 34.43 3mry s GLU 85 CO -0.05 -0.45 1.88 -1.35 0.95 0.00 0.00 175.26 176.24 3mry h PRO 86 N 2.35 1.07 -0.48 -4.83 0.11 -2.00 -1.77 132.00 126.46 3mry h PRO 86 Ca -0.30 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3mry h PRO 86 Cb 1.24 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3mry h PRO 86 CO 0.37 0.71 0.24 0.00 -0.21 0.00 0.00 178.00 179.11 3mry h ALA 87 N 1.37 1.53 -0.01 -0.75 0.00 -1.97 0.00 119.26 119.44 3mry h ALA 87 Ca 0.36 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 3mry h ALA 87 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3mry h ALA 87 CO -0.12 0.38 -0.88 0.00 0.00 0.00 0.00 179.25 178.62 3mry h ALA 88 N 1.61 0.46 -0.39 0.00 0.00 -1.68 -2.32 119.26 116.94 3mry h ALA 88 Ca 0.17 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3mry h ALA 88 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mry h ALA 88 CO -0.03 0.84 0.15 0.22 0.00 0.00 0.00 179.25 180.44 3mry h ASP 89 N 0.19 0.54 -0.29 0.00 1.82 -0.47 -0.69 116.42 117.51 3mry h ASP 89 Ca -0.06 -0.17 0.06 0.00 -0.39 0.00 0.00 57.03 56.47 3mry h ASP 89 Cb 1.50 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.32 3mry h ASP 89 CO 0.15 0.56 -0.05 0.25 -1.61 0.00 0.00 179.24 178.53 3mry h LEU 90 N 0.48 -0.22 -1.85 2.28 5.85 -1.01 -1.60 115.31 119.24 3mry h LEU 90 Ca 0.13 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.02 3mry h LEU 90 Cb 0.19 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3mry h LEU 90 CO -0.01 -0.08 0.30 0.00 -0.34 0.00 0.00 178.44 178.31 3mry h ALA 91 N 1.28 2.17 0.00 1.25 0.00 -0.73 -1.30 119.26 121.94 3mry h ALA 91 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mry h ALA 91 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mry h ALA 91 CO -0.28 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.56 3mry n SER 92 N -4.45 0.31 0.16 0.00 3.41 -0.36 -0.88 113.62 111.81 3mry n SER 92 Ca 0.07 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 3mry n SER 92 Cb 0.38 -0.66 0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3mry n SER 92 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mry h GLN 93 N 0.00 0.00 0.00 4.33 4.20 -1.29 -3.38 115.11 118.97 3mry h GLN 93 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3mry h GLN 93 Cb 0.16 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3mry h GLN 93 CO 0.00 0.03 -1.84 0.66 -0.67 0.00 0.00 178.83 177.01 3mry n TYR 94 N -2.92 0.00 -4.39 2.96 4.01 -0.06 -4.97 117.16 111.79 3mry n TYR 94 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 3mry n TYR 94 Cb 0.56 -0.58 -0.11 0.00 -0.31 0.00 0.00 39.34 38.89 3mry n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3mry s VAL 95 N -2.30 2.95 -1.86 -0.72 -7.23 -0.64 -4.66 120.40 105.95 3mry s VAL 95 Ca -0.14 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 3mry s VAL 95 Cb 0.05 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.66 3mry s VAL 95 CO 0.40 0.18 0.00 0.49 -0.31 0.00 0.00 175.10 175.86 3mry n PHE 96 N 1.02 -0.57 0.08 2.82 3.72 -1.26 -4.73 117.46 118.53 3mry n PHE 96 Ca -0.15 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.45 3mry n PHE 96 Cb 0.52 -3.64 0.75 0.00 -0.94 0.00 0.00 39.48 36.17 3mry n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mry h ARG 97 N 0.00 0.00 -0.03 -1.08 2.47 -1.86 -0.51 114.38 113.37 3mry h ARG 97 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 3mry h ARG 97 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 3mry h ARG 97 CO 0.57 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.97 3mry n SER 98 N -3.85 0.40 -4.69 7.04 3.41 -1.26 -4.86 113.62 109.80 3mry n SER 98 Ca 0.08 -1.42 -0.44 0.00 -0.26 0.00 0.00 58.87 56.83 3mry n SER 98 Cb 0.60 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3mry n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mry n ALA 99 N -0.56 1.60 -0.05 7.33 0.00 -0.20 -4.91 120.51 123.72 3mry n ALA 99 Ca 0.16 0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.93 3mry n ALA 99 Cb 0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 3mry n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mry h ARG 100 N 4.74 -0.01 -5.46 0.00 3.08 -1.32 -3.45 114.38 111.96 3mry h ARG 100 Ca -0.45 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.17 3mry h ARG 100 Cb 1.26 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.13 3mry h ARG 100 CO 0.80 -0.01 -0.76 -0.98 -1.07 0.00 0.00 179.97 177.95 3mry s ARG 101 N -6.20 1.05 -0.11 0.04 1.70 -1.11 -5.05 118.95 109.27 3mry s ARG 101 Ca -0.14 -1.26 0.03 0.00 -0.47 0.00 0.00 55.73 53.90 3mry s ARG 101 Cb 0.11 -0.94 0.01 0.00 -0.57 0.00 0.00 34.95 33.56 3mry s ARG 101 CO 0.69 0.18 -0.21 0.21 -1.08 0.00 0.00 175.30 175.08 3mry s LYS 102 N -2.71 2.85 -0.11 3.89 2.20 -1.26 -2.29 119.74 122.31 3mry s LYS 102 Ca 0.10 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3mry s LYS 102 Cb -0.05 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 3mry s LYS 102 CO 0.03 0.07 -0.03 0.42 -0.36 0.00 0.00 175.35 175.48 3mry s ILE 103 N 0.62 4.04 -0.26 5.43 1.01 0.48 -4.96 121.20 127.56 3mry s ILE 103 Ca -0.13 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 3mry s ILE 103 Cb -0.17 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 3mry s ILE 103 CO 0.03 0.56 0.20 -0.89 0.00 0.00 0.00 174.94 174.84 3mry s THR 104 N -0.36 5.32 0.88 2.92 2.01 -1.26 -1.66 115.64 123.49 3mry s THR 104 Ca 0.06 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 3mry s THR 104 Cb -0.12 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 68.92 3mry s THR 104 CO 0.02 0.29 0.81 0.18 -0.69 0.00 0.00 174.62 175.23 3mry n LEU 105 N 4.66 1.96 -1.70 4.42 4.77 0.68 -4.91 117.00 126.88 3mry n LEU 105 Ca -0.14 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3mry n LEU 105 Cb 0.52 -1.35 0.16 0.00 -2.33 0.00 0.00 43.42 40.41 3mry n LEU 105 CO 0.35 -2.72 0.92 -0.81 -1.33 0.00 0.00 177.39 173.80 3mry n PRO 106 N -2.66 2.29 -3.78 3.23 -0.04 -1.26 -3.99 135.00 128.78 3mry n PRO 106 Ca 0.10 -2.00 -0.09 0.00 -0.04 0.00 0.00 63.50 61.47 3mry n PRO 106 Cb 0.52 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 3mry n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mry s TYR 107 N -2.16 0.03 0.87 0.54 -0.85 -1.26 -4.99 117.35 109.53 3mry s TYR 107 Ca 0.37 -0.42 -0.15 0.00 -0.52 0.00 0.00 57.07 56.36 3mry s TYR 107 Cb 0.30 0.07 0.21 0.00 0.38 0.00 0.00 41.96 42.92 3mry s TYR 107 CO 0.08 -0.62 0.97 -1.13 -1.52 0.00 0.00 175.55 173.33 3mry n SER 108 N -0.14 -0.81 -1.26 -0.18 3.41 -1.25 0.14 113.62 113.54 3mry n SER 108 Ca -0.15 -1.22 0.12 0.00 -0.26 0.00 0.00 58.87 57.36 3mry n SER 108 Cb 0.63 -0.80 0.26 0.00 -0.26 0.00 0.00 64.21 64.04 3mry n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mry n GLY 109 N -2.52 2.06 3.86 5.00 0.00 -1.26 -4.45 105.19 107.87 3mry n GLY 109 Ca 0.13 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 3mry n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mry s ASN 110 N -1.30 6.68 0.38 1.61 2.20 -1.26 -4.90 114.94 118.36 3mry s ASN 110 Ca 0.43 1.28 0.15 0.00 -0.94 0.00 0.00 52.86 53.78 3mry s ASN 110 Cb 0.24 -2.38 1.01 0.00 -2.00 0.00 0.00 41.25 38.12 3mry s ASN 110 CO 0.33 -0.32 1.81 1.88 -2.94 0.00 0.00 177.10 177.86 3mry h TYR 111 N 1.74 0.70 -0.01 1.54 0.05 -1.99 -1.56 116.97 117.44 3mry h TYR 111 Ca -0.48 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.32 3mry h TYR 111 Cb 1.18 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 3mry h TYR 111 CO 0.62 0.14 -0.01 -0.44 -1.05 0.00 0.00 178.16 177.42 3mry h ASP 112 N 0.49 0.03 -0.87 3.88 3.32 -1.97 -1.36 116.42 119.96 3mry h ASP 112 Ca 0.54 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3mry h ASP 112 Cb 1.21 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 3mry h ASP 112 CO -0.26 0.50 0.57 0.03 -1.72 0.00 0.00 179.24 178.35 3mry h ARG 113 N -0.43 0.99 -0.48 3.56 2.47 -1.80 -2.25 114.38 116.44 3mry h ARG 113 Ca 0.00 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.53 3mry h ARG 113 Cb 0.49 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 3mry h ARG 113 CO 0.00 0.65 -0.24 -0.07 0.56 0.00 0.00 179.97 180.88 3mry h LEU 114 N 1.02 1.03 -0.12 3.04 3.38 -0.95 -1.27 115.31 121.44 3mry h LEU 114 Ca 0.36 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3mry h LEU 114 Cb 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3mry h LEU 114 CO -0.12 1.21 0.06 1.56 0.09 0.00 0.00 178.44 181.24 3mry h GLN 115 N 0.86 0.17 -0.28 1.13 4.20 -1.18 0.15 115.11 120.16 3mry h GLN 115 Ca 0.11 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.85 3mry h GLN 115 Cb 0.82 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.49 3mry h GLN 115 CO 0.07 0.20 -0.43 0.82 -0.67 0.00 0.00 178.83 178.82 3mry h ILE 116 N 0.10 0.13 -0.32 2.54 2.04 -1.26 0.24 117.51 120.97 3mry h ILE 116 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3mry h ILE 116 Cb 0.08 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3mry h ILE 116 CO -0.01 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.29 3mry h ALA 117 N 0.28 1.66 0.00 1.87 0.00 -1.06 -2.18 119.26 119.83 3mry h ALA 117 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mry h ALA 117 Cb 0.60 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3mry h ALA 117 CO -0.50 0.28 -0.18 0.00 0.00 0.00 0.00 179.25 178.85 3mry h ALA 118 N 1.72 0.90 0.00 0.00 0.00 0.02 -3.44 119.26 118.47 3mry h ALA 118 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mry h ALA 118 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mry h ALA 118 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3mry n GLY 119 N 1.20 0.70 2.94 0.00 0.00 0.00 -4.89 105.19 105.14 3mry n GLY 119 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3mry n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mry s LYS 120 N -0.03 0.09 0.39 1.61 1.02 -0.99 -5.02 119.74 116.80 3mry s LYS 120 Ca 0.00 0.14 -0.24 0.00 0.02 0.00 0.00 55.97 55.89 3mry s LYS 120 Cb 0.00 0.01 -0.09 0.00 -0.52 0.00 0.00 37.83 37.22 3mry s LYS 120 CO 0.00 -0.03 1.01 -1.25 -0.92 0.00 0.00 175.35 174.15 3mry s PRO 121 N 0.20 4.25 0.06 -1.68 0.04 -1.26 -4.51 135.00 132.10 3mry s PRO 121 Ca -0.01 1.39 0.12 0.00 0.04 0.00 0.00 61.00 62.54 3mry s PRO 121 Cb -0.02 -2.51 0.54 0.00 0.04 0.00 0.00 34.50 32.54 3mry s PRO 121 CO -0.01 -0.04 1.38 2.89 0.04 0.00 0.00 177.00 181.27 3mry n ARG 122 N -0.07 0.04 0.23 4.56 1.85 -1.26 -0.96 116.66 121.05 3mry n ARG 122 Ca 0.05 0.37 0.17 0.00 -1.00 0.00 0.00 57.85 57.44 3mry n ARG 122 Cb 0.51 -1.58 0.76 0.00 -1.05 0.00 0.00 32.46 31.10 3mry n ARG 122 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3mry h GLU 123 N 0.00 0.00 -0.34 2.89 3.07 -1.92 -2.12 114.58 116.16 3mry h GLU 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3mry h GLU 123 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3mry h GLU 123 CO 0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 3mry n LYS 124 N -3.21 2.56 -3.82 2.33 5.02 -0.13 -4.64 118.16 116.27 3mry n LYS 124 Ca 0.02 -2.00 -0.36 0.00 -2.02 0.00 0.00 58.31 53.94 3mry n LYS 124 Cb 0.51 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 3mry n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mry s ILE 125 N -1.01 3.52 0.42 -0.18 1.01 -0.80 -4.99 121.20 119.17 3mry s ILE 125 Ca 0.25 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 3mry s ILE 125 Cb 0.13 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.60 3mry s ILE 125 CO 0.18 -0.02 1.40 -2.65 0.00 0.00 0.00 174.94 173.85 3mry n PRO 126 N 4.77 2.28 -4.38 2.79 -0.02 -1.26 -4.34 135.00 134.83 3mry n PRO 126 Ca -0.14 0.81 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 3mry n PRO 126 Cb 0.46 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 3mry n PRO 126 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3mry s ILE 127 N -1.17 1.31 -5.00 4.25 -4.36 -0.76 -4.80 121.20 110.67 3mry s ILE 127 Ca 0.59 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 3mry s ILE 127 Cb -0.48 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 40.81 3mry s ILE 127 CO 0.59 -0.29 0.00 0.61 0.24 0.00 0.00 174.94 176.09 3mry n GLY 128 N -0.51 -0.37 0.24 6.27 0.00 -1.26 -0.62 105.19 108.94 3mry n GLY 128 Ca -0.05 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 3mry n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mry h LEU 129 N 0.00 0.71 -0.82 0.99 3.38 -1.57 0.47 115.31 118.47 3mry h LEU 129 Ca 0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3mry h LEU 129 Cb 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3mry h LEU 129 CO 0.00 0.56 0.24 -0.65 0.09 0.00 0.00 178.44 178.67 3mry h PRO 130 N 0.80 1.12 -0.80 1.13 0.11 -1.74 -0.89 132.00 131.72 3mry h PRO 130 Ca 0.21 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3mry h PRO 130 Cb -0.02 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 30.88 3mry h PRO 130 CO -0.04 0.94 0.46 0.00 -0.21 0.00 0.00 178.00 179.15 3mry h ALA 131 N 1.18 1.30 -0.63 -0.75 0.00 -1.81 -2.24 119.26 116.30 3mry h ALA 131 Ca 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3mry h ALA 131 Cb 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3mry h ALA 131 CO -0.01 0.59 0.20 1.25 0.00 0.00 0.00 179.25 181.28 3mry h LEU 132 N 1.11 0.92 -0.46 0.00 5.85 -0.18 -1.02 115.31 121.53 3mry h LEU 132 Ca 0.29 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3mry h LEU 132 Cb -0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3mry h LEU 132 CO -0.05 0.88 0.29 -0.78 -0.34 0.00 0.00 178.44 178.44 3mry h ASP 133 N 0.91 0.47 -0.61 1.25 3.58 -0.76 -1.45 116.42 119.81 3mry h ASP 133 Ca 0.20 -0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.78 3mry h ASP 133 Cb 0.29 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 41.14 3mry h ASP 133 CO -0.01 0.34 0.06 0.74 -2.88 0.00 0.00 179.24 177.49 3mry h THR 134 N 0.58 0.55 0.26 2.25 2.02 -1.26 -2.15 112.91 115.16 3mry h THR 134 Ca 0.18 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3mry h THR 134 Cb -0.01 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3mry h THR 134 CO -0.07 0.03 -0.13 0.00 0.37 0.00 0.00 175.52 175.73 3mry h ALA 135 N 1.53 -0.35 -0.63 6.16 0.00 -0.48 0.27 119.26 125.76 3mry h ALA 135 Ca 0.32 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3mry h ALA 135 Cb 0.52 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 3mry h ALA 135 CO -0.48 -0.61 -0.30 0.82 0.00 0.00 0.00 179.25 178.68 3mry h ILE 136 N -0.53 0.19 -0.31 0.00 2.04 -1.23 -0.13 117.51 117.55 3mry h ILE 136 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3mry h ILE 136 Cb 0.39 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3mry h ILE 136 CO 0.06 0.00 0.08 0.28 0.00 0.00 0.00 178.15 178.56 3mry h SER 137 N -0.12 0.05 -0.60 1.72 0.02 -0.85 -1.72 113.55 112.04 3mry h SER 137 Ca 0.26 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.35 3mry h SER 137 Cb 0.55 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 3mry h SER 137 CO -0.70 0.06 0.20 0.74 -1.14 0.00 0.00 176.83 175.99 3mry h THR 138 N 0.19 0.73 0.00 -2.27 2.02 0.16 -2.89 112.91 110.85 3mry h THR 138 Ca 0.14 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3mry h THR 138 Cb 0.14 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3mry h THR 138 CO -0.17 0.07 0.00 0.18 0.37 0.00 0.00 175.52 175.96 3mry n LEU 139 N -5.03 0.73 0.30 2.58 4.77 -0.12 -2.05 117.00 118.19 3mry n LEU 139 Ca 0.09 0.59 0.17 0.00 -0.03 0.00 0.00 56.01 56.82 3mry n LEU 139 Cb 0.29 -0.38 0.98 0.00 -2.33 0.00 0.00 43.42 41.98 3mry n LEU 139 CO 0.21 -0.24 1.14 -0.07 -1.33 0.00 0.00 177.39 177.10 3mry h LEU 140 N 0.00 0.00 -7.55 2.23 3.38 -1.14 -3.42 115.31 108.81 3mry h LEU 140 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3mry h LEU 140 Cb 0.65 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.08 3mry h LEU 140 CO 0.00 0.00 -0.72 -1.00 0.09 0.00 0.00 178.44 176.81 3mry s HIS 141 N -4.53 0.01 0.04 1.13 3.76 -0.87 -4.92 115.29 109.91 3mry s HIS 141 Ca -0.05 0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 54.69 3mry s HIS 141 Cb 0.15 -0.18 -0.07 0.00 1.11 0.00 0.00 32.58 33.58 3mry s HIS 141 CO 0.52 -0.08 1.56 -0.47 -0.85 0.00 0.00 174.74 175.42 3mry s TYR 142 N 0.88 2.55 -0.27 1.40 5.04 -1.26 -4.93 117.35 120.75 3mry s TYR 142 Ca -0.07 0.49 -0.00 0.00 -2.44 0.00 0.00 57.07 55.05 3mry s TYR 142 Cb -0.10 -3.85 0.16 0.00 0.35 0.00 0.00 41.96 38.51 3mry s TYR 142 CO -0.03 -3.35 0.46 0.34 -1.34 0.00 0.00 175.55 171.63 3mry s ASP 143 N 2.28 -0.30 0.19 4.32 -1.08 -1.26 -5.07 116.67 115.75 3mry s ASP 143 Ca 0.70 0.21 -0.10 0.00 -0.52 0.00 0.00 52.55 52.85 3mry s ASP 143 Cb -0.36 1.45 0.10 0.00 -1.46 0.00 0.00 42.92 42.65 3mry s ASP 143 CO 0.30 -0.30 1.73 0.77 0.52 0.00 0.00 175.17 178.18 3mry h SER 144 N 8.12 0.97 -0.31 -0.34 4.64 -1.98 0.55 113.55 125.19 3mry h SER 144 Ca -0.15 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3mry h SER 144 Cb 1.15 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3mry h SER 144 CO 0.25 0.91 0.14 0.74 -0.87 0.00 0.00 176.83 178.01 3mry h THR 145 N 0.98 1.16 -0.03 2.95 2.02 -1.98 -1.90 112.91 116.11 3mry h THR 145 Ca 0.22 -0.48 -0.22 0.00 0.77 0.00 0.00 66.41 66.71 3mry h THR 145 Cb 0.28 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3mry h THR 145 CO -0.01 0.17 -0.87 0.00 0.37 0.00 0.00 175.52 175.18 3mry h ALA 146 N 0.99 0.41 -0.89 6.16 0.00 -1.82 -3.04 119.26 121.08 3mry h ALA 146 Ca 0.11 -0.67 0.09 0.00 0.00 0.00 0.00 54.91 54.43 3mry h ALA 146 Cb 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3mry h ALA 146 CO -0.01 0.78 0.54 0.00 0.00 0.00 0.00 179.25 180.56 3mry h ALA 147 N 0.76 1.27 -0.85 0.00 0.00 0.15 -2.44 119.26 118.16 3mry h ALA 147 Ca -0.07 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3mry h ALA 147 Cb 1.49 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 3mry h ALA 147 CO 0.15 0.22 0.49 0.00 0.00 0.00 0.00 179.25 180.11 3mry h ALA 148 N 1.46 1.21 -0.37 0.00 0.00 -1.22 0.13 119.26 120.47 3mry h ALA 148 Ca 0.41 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 3mry h ALA 148 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3mry h ALA 148 CO -0.22 0.13 -0.25 0.78 0.00 0.00 0.00 179.25 179.69 3mry h GLY 149 N 0.83 0.89 0.91 0.00 0.00 -1.58 -1.88 103.07 102.24 3mry h GLY 149 Ca 0.41 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3mry h GLY 149 CO -0.24 0.77 0.10 0.00 0.00 0.00 0.00 176.54 177.17 3mry h ALA 150 N 0.78 0.40 -0.78 3.60 0.00 -1.01 -1.78 119.26 120.47 3mry h ALA 150 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3mry h ALA 150 Cb 0.82 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3mry h ALA 150 CO 0.07 0.02 0.48 -0.07 0.00 0.00 0.00 179.25 179.75 3mry h LEU 151 N 0.34 0.75 -0.34 0.00 3.38 -0.73 0.12 115.31 118.83 3mry h LEU 151 Ca 0.10 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3mry h LEU 151 Cb 0.22 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 3mry h LEU 151 CO -0.00 0.49 -0.24 -0.07 0.09 0.00 0.00 178.44 178.70 3mry h LEU 152 N 0.88 -0.80 -0.64 1.67 3.38 -1.03 0.06 115.31 118.84 3mry h LEU 152 Ca 0.34 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.53 3mry h LEU 152 Cb 0.14 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3mry h LEU 152 CO -0.16 -0.27 0.34 0.58 0.09 0.00 0.00 178.44 179.02 3mry h VAL 153 N -0.20 0.94 -0.40 1.22 2.07 -1.06 -2.50 116.25 116.31 3mry h VAL 153 Ca 0.17 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3mry h VAL 153 Cb 0.47 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3mry h VAL 153 CO -0.46 0.11 0.01 0.25 0.02 0.00 0.00 177.57 177.50 3mry h LEU 154 N 0.62 0.69 -0.60 2.57 5.85 -0.15 -1.73 115.31 122.56 3mry h LEU 154 Ca 0.29 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3mry h LEU 154 Cb 0.21 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3mry h LEU 154 CO -0.19 0.83 0.21 0.40 -0.34 0.00 0.00 178.44 179.35 3mry h ILE 155 N 0.54 1.24 0.00 4.05 2.04 -0.89 -1.75 117.51 122.74 3mry h ILE 155 Ca 0.12 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 65.01 3mry h ILE 155 Cb 0.47 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3mry h ILE 155 CO 0.02 0.30 -0.88 1.56 0.00 0.00 0.00 178.15 179.15 3mry h GLN 156 N 0.85 0.01 -0.07 2.37 4.20 -1.32 -1.28 115.11 119.87 3mry h GLN 156 Ca 0.20 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 3mry h GLN 156 Cb 0.25 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3mry h GLN 156 CO -0.01 0.88 -0.26 1.79 -0.67 0.00 0.00 178.83 180.56 3mry h THR 157 N 0.01 1.43 0.00 -0.54 1.35 -1.22 -3.04 112.91 110.89 3mry h THR 157 Ca -0.01 -1.66 -0.20 0.00 -0.55 0.00 0.00 66.41 63.98 3mry h THR 157 Cb 1.55 2.32 -0.03 0.00 -1.73 0.00 0.00 68.15 70.25 3mry h THR 157 CO 0.12 0.47 -1.57 0.35 -0.25 0.00 0.00 175.52 174.64 3mry n THR 158 N -4.48 1.51 -0.01 6.82 -2.24 -0.67 -4.01 114.28 111.19 3mry n THR 158 Ca -0.08 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 3mry n THR 158 Cb 0.47 -2.14 -0.12 0.00 -2.10 0.00 0.00 70.33 66.44 3mry n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mry h ALA 159 N -0.95 0.04 -0.24 6.98 0.00 -1.49 -2.26 119.26 121.33 3mry h ALA 159 Ca -0.31 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 53.96 3mry h ALA 159 Cb 1.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3mry h ALA 159 CO -0.19 0.18 -0.38 0.93 0.00 0.00 0.00 179.25 179.80 3mry h GLU 160 N -0.38 0.55 -0.44 0.00 4.39 -1.39 -0.95 114.58 116.35 3mry h GLU 160 Ca -0.05 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.29 3mry h GLU 160 Cb 1.14 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3mry h GLU 160 CO 0.08 0.84 -0.07 0.00 -1.16 0.00 0.00 179.01 178.70 3mry h ALA 161 N 1.13 0.60 -0.75 3.43 0.00 -1.66 -1.47 119.26 120.54 3mry h ALA 161 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3mry h ALA 161 Cb 0.87 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3mry h ALA 161 CO 0.07 0.46 0.36 0.00 0.00 0.00 0.00 179.25 180.14 3mry h ALA 162 N 0.88 1.22 -0.46 0.00 0.00 -1.10 -3.08 119.26 116.72 3mry h ALA 162 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3mry h ALA 162 Cb 0.59 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3mry h ALA 162 CO 0.04 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 3mry h ARG 163 N 1.06 0.77 -3.95 0.00 3.08 -0.93 -3.41 114.38 110.99 3mry h ARG 163 Ca 0.26 -0.21 -0.45 0.00 0.07 0.00 0.00 59.98 59.66 3mry h ARG 163 Cb 0.11 -0.09 -0.36 0.00 0.08 0.00 0.00 29.97 29.71 3mry h ARG 163 CO -0.03 0.78 -0.78 -0.06 -1.07 0.00 0.00 179.97 178.81 3mry s PHE 164 N -4.97 0.88 0.31 3.04 0.08 -0.58 -0.60 117.98 116.14 3mry s PHE 164 Ca -0.09 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.66 3mry s PHE 164 Cb 0.15 -0.84 0.52 0.00 -0.57 0.00 0.00 43.02 42.28 3mry s PHE 164 CO 0.81 -0.31 1.95 -0.22 -0.10 0.00 0.00 175.22 177.35 3mry h LYS 165 N 7.81 1.00 -0.60 0.44 3.64 -0.21 -0.91 116.57 127.75 3mry h LYS 165 Ca -0.29 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.10 3mry h LYS 165 Cb 1.14 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 3mry h LYS 165 CO 0.37 0.66 0.29 -0.92 -2.27 0.00 0.00 179.45 177.59 3mry h TYR 166 N 1.03 0.52 -0.25 1.91 3.20 -1.90 -0.90 116.97 120.59 3mry h TYR 166 Ca 0.32 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 3mry h TYR 166 Cb 0.01 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3mry h TYR 166 CO -0.00 0.22 -0.11 0.82 -1.64 0.00 0.00 178.16 177.45 3mry h ILE 167 N 0.54 1.30 -0.81 1.81 2.04 -1.50 -0.14 117.51 120.74 3mry h ILE 167 Ca 0.28 -1.18 0.20 0.00 1.00 0.00 0.00 64.86 65.15 3mry h ILE 167 Cb 0.23 1.54 -0.13 0.00 -0.74 0.00 0.00 36.82 37.72 3mry h ILE 167 CO -0.21 0.37 0.14 -0.08 0.00 0.00 0.00 178.15 178.36 3mry h GLU 168 N 0.25 0.18 -0.42 2.37 4.81 -1.06 -1.37 114.58 119.33 3mry h GLU 168 Ca 0.06 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 3mry h GLU 168 Cb 0.61 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3mry h GLU 168 CO 0.04 0.12 -0.19 1.96 -0.73 0.00 0.00 179.01 180.20 3mry h GLN 169 N 0.18 0.83 -0.83 1.92 4.20 -0.68 -1.37 115.11 119.37 3mry h GLN 169 Ca 0.47 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3mry h GLN 169 Cb 0.89 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.58 3mry h GLN 169 CO -0.63 0.95 0.54 1.96 -0.67 0.00 0.00 178.83 180.98 3mry h GLN 170 N 0.73 1.04 -0.19 1.46 1.08 -0.34 -1.15 115.11 117.74 3mry h GLN 170 Ca 0.10 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 3mry h GLN 170 Cb 0.72 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3mry h GLN 170 CO 0.06 0.69 -0.09 0.82 -0.95 0.00 0.00 178.83 179.36 3mry h ILE 171 N 1.07 1.31 -0.96 2.54 1.08 -0.92 -2.47 117.51 119.16 3mry h ILE 171 Ca 0.32 -1.14 0.18 0.00 -0.39 0.00 0.00 64.86 63.83 3mry h ILE 171 Cb -0.05 1.65 -0.11 0.00 -3.07 0.00 0.00 36.82 35.25 3mry h ILE 171 CO -0.09 0.34 0.55 1.56 -0.69 0.00 0.00 178.15 179.82 3mry h GLN 172 N 0.09 0.68 0.00 2.37 4.20 -0.88 1.07 115.11 122.63 3mry h GLN 172 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3mry h GLN 172 Cb 0.57 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3mry h GLN 172 CO 0.03 0.45 -0.04 0.93 -0.67 0.00 0.00 178.83 179.52 3mry h GLU 173 N 0.70 0.00 -0.73 1.46 5.08 -0.98 -2.78 114.58 117.34 3mry h GLU 173 Ca 0.55 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.48 3mry h GLU 173 Cb 0.86 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.86 3mry h GLU 173 CO -0.39 0.04 0.27 0.54 -1.00 0.00 0.00 179.01 178.47 3mry n ARG 174 N -3.21 2.31 0.23 2.33 1.74 0.37 -4.64 116.66 115.79 3mry n ARG 174 Ca -0.01 -3.26 0.07 0.00 -0.77 0.00 0.00 57.85 53.88 3mry n ARG 174 Cb 0.25 -2.07 0.55 0.00 -1.02 0.00 0.00 32.46 30.16 3mry n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mry h ALA 175 N 1.31 1.61 0.00 7.54 0.00 -1.15 -2.01 119.26 126.56 3mry h ALA 175 Ca 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3mry h ALA 175 Cb 1.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3mry h ALA 175 CO 0.90 0.22 0.00 0.66 0.00 0.00 0.00 179.25 181.02 3mry n TYR 176 N -4.18 0.00 -3.59 0.00 4.01 -1.26 -4.28 117.16 107.86 3mry n TYR 176 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 3mry n TYR 176 Cb 0.24 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 3mry n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3mry s ARG 177 N -0.03 0.15 0.70 -0.72 3.52 -1.25 -4.93 118.95 116.38 3mry s ARG 177 Ca 0.00 0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 55.96 3mry s ARG 177 Cb 0.00 -0.53 0.02 0.00 -1.56 0.00 0.00 34.95 32.88 3mry s ARG 177 CO 0.00 -0.44 1.14 -0.51 -0.81 0.00 0.00 175.30 174.68 3mry s ASP 178 N 2.36 4.66 -0.13 -2.12 1.01 -1.26 -4.46 116.67 116.73 3mry s ASP 178 Ca 0.04 2.11 -0.20 0.00 0.71 0.00 0.00 52.55 55.22 3mry s ASP 178 Cb -0.13 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.28 3mry s ASP 178 CO -0.09 -1.94 0.51 -0.70 0.21 0.00 0.00 175.17 173.16 3mry s GLU 179 N -4.11 0.71 0.76 8.23 2.12 0.21 -4.85 118.70 121.76 3mry s GLU 179 Ca 0.69 0.44 -0.15 0.00 0.36 0.00 0.00 54.97 56.31 3mry s GLU 179 Cb -0.23 0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.52 3mry s GLU 179 CO 0.44 -0.15 1.01 1.33 -0.54 0.00 0.00 175.26 177.35 3mry n VAL 180 N 2.11 2.49 -2.03 3.70 0.24 -1.26 -1.83 118.33 121.75 3mry n VAL 180 Ca -0.16 -0.32 -0.39 0.00 -2.04 0.00 0.00 64.34 61.43 3mry n VAL 180 Cb 0.56 -1.11 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 3mry n VAL 180 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3mry s PRO 181 N -3.56 3.77 0.88 7.34 0.01 -1.26 -4.79 135.00 137.39 3mry s PRO 181 Ca 0.73 2.12 -0.11 0.00 0.01 0.00 0.00 61.00 63.74 3mry s PRO 181 Cb -0.32 -2.60 0.12 0.00 0.01 0.00 0.00 34.50 31.71 3mry s PRO 181 CO 0.51 -0.64 1.14 -1.13 0.01 0.00 0.00 177.00 176.89 3mry n SER 182 N -0.20 0.48 0.14 2.53 3.41 -1.26 -4.84 113.62 113.89 3mry n SER 182 Ca 0.06 0.47 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 3mry n SER 182 Cb 0.44 -1.48 0.52 0.00 -0.26 0.00 0.00 64.21 63.44 3mry n SER 182 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mry h SER 183 N -1.58 0.21 -0.52 4.04 0.02 -1.95 -2.23 113.55 111.53 3mry h SER 183 Ca -0.44 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 3mry h SER 183 Cb 1.28 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 3mry h SER 183 CO 0.42 0.18 -0.14 0.00 -1.14 0.00 0.00 176.83 176.15 3mry h ALA 184 N 1.85 0.74 -0.20 3.77 0.00 -1.80 0.34 119.26 123.96 3mry h ALA 184 Ca 0.06 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3mry h ALA 184 Cb 0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3mry h ALA 184 CO -0.01 0.68 -0.17 1.15 0.00 0.00 0.00 179.25 180.89 3mry h THR 185 N 0.90 0.53 0.03 0.00 2.02 -1.78 0.25 112.91 114.87 3mry h THR 185 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3mry h THR 185 Cb 0.72 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3mry h THR 185 CO 0.06 0.00 -0.03 0.40 0.37 0.00 0.00 175.52 176.31 3mry h ILE 186 N -0.18 0.92 -0.38 3.11 1.08 -0.94 -1.17 117.51 119.95 3mry h ILE 186 Ca 0.12 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.67 3mry h ILE 186 Cb 0.36 0.92 -0.09 0.00 -3.07 0.00 0.00 36.82 34.95 3mry h ILE 186 CO -0.31 0.00 -0.25 -1.28 -0.69 0.00 0.00 178.15 175.62 3mry h SER 187 N -0.08 -0.84 -0.52 1.72 0.87 -0.12 -1.43 113.55 113.15 3mry h SER 187 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3mry h SER 187 Cb 0.08 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3mry h SER 187 CO -0.01 -0.27 0.33 -0.07 -0.53 0.00 0.00 176.83 176.28 3mry h LEU 188 N -0.19 0.62 -0.25 2.23 3.38 -0.28 -1.38 115.31 119.45 3mry h LEU 188 Ca 0.18 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3mry h LEU 188 Cb 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3mry h LEU 188 CO -0.49 0.47 -0.02 -0.33 0.09 0.00 0.00 178.44 178.16 3mry h GLU 189 N 0.73 0.45 0.00 1.13 5.08 -0.28 -2.99 114.58 118.69 3mry h GLU 189 Ca 0.19 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3mry h GLU 189 Cb -0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3mry h GLU 189 CO -0.04 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 178.70 3mry n ASN 190 N -4.61 0.64 -0.82 1.42 3.02 -0.63 -3.51 115.26 110.77 3mry n ASN 190 Ca -0.04 0.60 0.10 0.00 -0.03 0.00 0.00 54.58 55.21 3mry n ASN 190 Cb 0.26 -0.76 0.09 0.00 -0.61 0.00 0.00 39.78 38.77 3mry n ASN 190 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mry n SER 191 N -2.14 2.73 -0.06 6.41 7.64 -0.55 -4.75 113.62 122.89 3mry n SER 191 Ca 0.04 -1.85 -0.09 0.00 1.01 0.00 0.00 58.87 57.98 3mry n SER 191 Cb 0.34 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 3mry n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3mry h TRP 192 N 3.95 -0.88 -0.44 1.43 7.01 -1.57 0.31 115.95 125.77 3mry h TRP 192 Ca 0.00 0.05 0.07 0.00 2.11 0.00 0.00 58.89 61.12 3mry h TRP 192 Cb 0.85 0.43 -0.06 0.00 -2.10 0.00 0.00 29.16 28.27 3mry h TRP 192 CO 0.02 -0.38 0.07 1.03 -2.79 0.00 0.00 178.44 176.39 3mry h SER 193 N -0.31 -0.03 0.18 2.65 0.87 -1.87 0.10 113.55 115.14 3mry h SER 193 Ca 0.14 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3mry h SER 193 Cb 0.53 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3mry h SER 193 CO -0.45 0.02 -0.09 1.23 -0.53 0.00 0.00 176.83 177.01 3mry h GLY 194 N 0.20 -0.26 1.11 5.77 0.00 -1.53 -2.14 103.07 106.22 3mry h GLY 194 Ca 0.22 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.70 3mry h GLY 194 CO -0.30 -0.09 0.46 1.41 0.00 0.00 0.00 176.54 178.02 3mry h LEU 195 N -0.31 0.67 -1.01 3.11 3.38 -0.34 -1.58 115.31 119.22 3mry h LEU 195 Ca -0.03 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3mry h LEU 195 Cb 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3mry h LEU 195 CO 0.04 0.44 -0.45 0.28 0.09 0.00 0.00 178.44 178.84 3mry h SER 196 N 0.76 0.00 0.00 -0.43 0.02 -0.52 -1.65 113.55 111.73 3mry h SER 196 Ca 0.30 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3mry h SER 196 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3mry h SER 196 CO -0.09 0.45 -0.54 0.50 -1.14 0.00 0.00 176.83 176.00 3mry h LYS 197 N 0.00 0.00 -0.93 3.45 3.64 -0.99 -2.76 116.57 118.98 3mry h LYS 197 Ca -0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 3mry h LYS 197 Cb 0.87 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.62 3mry h LYS 197 CO 0.06 0.76 0.60 1.96 -2.27 0.00 0.00 179.45 180.56 3mry h GLN 198 N -1.00 0.52 -0.29 1.90 1.08 -1.34 0.32 115.11 116.30 3mry h GLN 198 Ca -0.13 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 56.89 3mry h GLN 198 Cb 0.94 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 3mry h GLN 198 CO -0.08 0.35 -0.42 0.82 -0.95 0.00 0.00 178.83 178.55 3mry h ILE 199 N 0.54 1.29 -0.24 2.54 2.04 -1.39 0.23 117.51 122.52 3mry h ILE 199 Ca 0.50 -1.59 -0.18 0.00 1.00 0.00 0.00 64.86 64.59 3mry h ILE 199 Cb 1.05 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3mry h ILE 199 CO -0.23 0.51 -0.56 1.56 0.00 0.00 0.00 178.15 179.43 3mry h GLN 200 N 0.58 0.73 -0.03 2.37 4.20 -0.96 -3.19 115.11 118.82 3mry h GLN 200 Ca 0.04 -0.47 -0.10 0.00 0.06 0.00 0.00 58.65 58.19 3mry h GLN 200 Cb 0.96 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3mry h GLN 200 CO 0.09 1.09 -0.44 -0.07 -0.67 0.00 0.00 178.83 178.84 3mry h LEU 201 N 0.56 0.06 -2.61 1.46 4.07 -0.31 -2.61 115.31 115.93 3mry h LEU 201 Ca 0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 3mry h LEU 201 Cb 1.15 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 3mry h LEU 201 CO 0.12 0.50 -0.00 0.00 -1.08 0.00 0.00 178.44 177.97 3mry h ALA 202 N 1.51 1.36 -0.33 1.53 0.00 -0.93 -3.14 119.26 119.25 3mry h ALA 202 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3mry h ALA 202 Cb 0.80 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3mry h ALA 202 CO 0.06 0.01 -0.02 0.37 0.00 0.00 0.00 179.25 179.66 3mry h GLN 203 N 0.00 0.52 -0.75 0.00 4.15 -1.54 0.14 115.11 117.63 3mry h GLN 203 Ca -0.00 -0.12 -0.19 0.00 0.77 0.00 0.00 58.65 59.11 3mry h GLN 203 Cb 0.01 -0.07 -0.11 0.00 0.21 0.00 0.00 27.48 27.52 3mry h GLN 203 CO 0.00 0.57 0.24 0.41 -1.93 0.00 0.00 178.83 178.12 3mry n GLY 204 N -0.84 3.48 1.91 2.39 0.00 -1.19 -4.51 105.19 106.44 3mry n GLY 204 Ca 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.11 3mry n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mry n ASN 205 N -0.04 1.24 -3.83 1.61 4.05 0.34 -4.99 115.26 113.65 3mry n ASN 205 Ca 0.38 -2.07 -0.28 0.00 0.45 0.00 0.00 54.58 53.06 3mry n ASN 205 Cb 1.34 -0.36 0.04 0.00 1.23 0.00 0.00 39.78 42.03 3mry n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3mry n ASN 206 N 0.10 -5.24 0.00 1.20 3.02 -1.13 -1.77 115.26 111.45 3mry n ASN 206 Ca 0.07 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3mry n ASN 206 Cb 1.03 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 3mry n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mry n GLY 207 N -1.78 2.03 3.78 7.41 0.00 -0.35 -4.97 105.19 111.31 3mry n GLY 207 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3mry n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mry s VAL 208 N -3.31 4.81 0.05 1.61 1.01 -0.73 -0.99 120.40 122.86 3mry s VAL 208 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 3mry s VAL 208 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3mry s VAL 208 CO 0.00 0.47 1.12 -0.36 0.00 0.00 0.00 175.10 176.33 3mry s PHE 209 N -0.58 3.53 0.18 5.22 0.40 0.30 -3.96 117.98 123.06 3mry s PHE 209 Ca 0.31 1.46 -0.14 0.00 -0.60 0.00 0.00 56.93 57.95 3mry s PHE 209 Cb -0.19 -3.31 0.17 0.00 0.51 0.00 0.00 43.02 40.20 3mry s PHE 209 CO 0.18 -0.80 1.68 0.00 0.70 0.00 0.00 175.22 176.98 3mry h ARG 210 N 6.66 0.09 -4.47 0.44 2.47 -1.88 -3.41 114.38 114.29 3mry h ARG 210 Ca -0.42 -0.01 -0.51 0.00 -1.26 0.00 0.00 59.98 57.79 3mry h ARG 210 Cb 1.22 -0.02 -0.34 0.00 -1.65 0.00 0.00 29.97 29.18 3mry h ARG 210 CO 0.78 0.06 -0.81 0.99 0.56 0.00 0.00 179.97 181.55 3mry s THR 211 N -6.18 1.08 0.42 2.04 2.01 -1.26 -5.13 115.64 108.61 3mry s THR 211 Ca -0.14 -0.43 -0.24 0.00 0.31 0.00 0.00 61.69 61.19 3mry s THR 211 Cb 0.16 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 3mry s THR 211 CO 0.72 0.35 1.18 -2.84 -0.69 0.00 0.00 174.62 173.34 3mry s PRO 212 N 0.81 3.93 -0.25 4.92 0.02 -1.26 -4.91 135.00 138.25 3mry s PRO 212 Ca -0.12 1.84 -0.13 0.00 0.02 0.00 0.00 61.00 62.61 3mry s PRO 212 Cb -0.15 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.74 3mry s PRO 212 CO 0.02 -0.43 0.29 0.99 -0.33 0.00 0.00 177.00 177.54 3mry s THR 213 N -1.45 5.25 -0.28 0.99 2.01 -0.68 -4.90 115.64 116.58 3mry s THR 213 Ca 0.60 0.41 -0.22 0.00 0.31 0.00 0.00 61.69 62.78 3mry s THR 213 Cb -0.31 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 3mry s THR 213 CO 0.38 0.24 0.73 -0.69 -0.69 0.00 0.00 174.62 174.59 3mry s VAL 214 N 1.62 4.88 0.55 3.82 1.01 -1.26 -0.47 120.40 130.54 3mry s VAL 214 Ca 0.12 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.36 3mry s VAL 214 Cb -0.15 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.20 3mry s VAL 214 CO 0.09 -0.12 0.25 -0.76 0.00 0.00 0.00 175.10 174.56 3mry s LEU 215 N 2.76 2.46 -0.07 3.92 1.43 0.46 -4.97 118.68 124.67 3mry s LEU 215 Ca 0.30 -1.45 0.02 0.00 -1.03 0.00 0.00 54.13 51.97 3mry s LEU 215 Cb -0.15 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 3mry s LEU 215 CO 0.10 -1.07 -0.12 -0.69 0.23 0.00 0.00 176.35 174.81 3mry s VAL 216 N -2.84 3.27 0.61 -1.59 1.01 -1.26 -1.31 120.40 118.28 3mry s VAL 216 Ca 0.20 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3mry s VAL 216 Cb -0.01 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 34.12 3mry s VAL 216 CO 0.13 0.58 0.85 1.51 0.00 0.00 0.00 175.10 178.16 3mry s ASP 217 N -0.50 4.92 0.23 3.32 1.47 0.17 -4.30 116.67 121.97 3mry s ASP 217 Ca 0.07 -0.30 -0.14 0.00 1.18 0.00 0.00 52.55 53.37 3mry s ASP 217 Cb -0.12 -0.36 0.28 0.00 -0.34 0.00 0.00 42.92 42.38 3mry s ASP 217 CO 0.02 -1.42 1.59 0.28 0.68 0.00 0.00 175.17 176.31 3mry h SER 218 N -0.11 -0.89 -0.80 2.11 0.02 -1.97 -1.96 113.55 109.94 3mry h SER 218 Ca -0.38 0.24 0.11 0.00 -0.84 0.00 0.00 61.79 60.92 3mry h SER 218 Cb 1.28 0.53 -0.08 0.00 0.14 0.00 0.00 62.40 64.28 3mry h SER 218 CO 0.45 -0.27 0.43 0.11 -1.14 0.00 0.00 176.83 176.41 3mry h LYS 219 N -0.04 0.67 0.00 3.45 1.79 -2.06 -3.47 116.57 116.92 3mry h LYS 219 Ca 0.35 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3mry h LYS 219 Cb 0.57 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3mry h LYS 219 CO -0.80 0.45 0.00 0.41 -1.08 0.00 0.00 179.45 178.42 3mry n GLY 220 N -1.32 1.17 3.67 3.86 0.00 -0.74 -5.16 105.19 106.67 3mry n GLY 220 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3mry n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mry s ASN 221 N -2.00 -0.30 0.15 1.61 2.20 -1.25 -4.92 114.94 110.44 3mry s ASN 221 Ca 0.00 -0.50 -0.30 0.00 -0.94 0.00 0.00 52.86 51.12 3mry s ASN 221 Cb 0.00 0.65 -0.07 0.00 -2.00 0.00 0.00 41.25 39.83 3mry s ASN 221 CO 0.00 -1.19 1.05 -0.60 -2.94 0.00 0.00 177.10 173.42 3mry s ARG 222 N -3.89 4.64 0.00 3.55 3.52 -1.26 -0.66 118.95 124.85 3mry s ARG 222 Ca 0.10 1.62 -0.09 0.00 -0.13 0.00 0.00 55.73 57.23 3mry s ARG 222 Cb -0.03 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3mry s ARG 222 CO 0.01 0.13 0.17 0.14 -0.81 0.00 0.00 175.30 174.94 3mry s VAL 223 N -0.17 0.08 -0.17 7.11 -7.23 -0.43 -4.93 120.40 114.66 3mry s VAL 223 Ca 0.48 -0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 59.94 3mry s VAL 223 Cb -0.27 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 3mry s VAL 223 CO 0.33 -0.37 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.64 3mry s GLN 224 N -1.44 3.74 -0.31 4.82 -0.21 -1.26 -0.40 119.66 124.59 3mry s GLN 224 Ca -0.14 -0.48 -0.09 0.00 0.02 0.00 0.00 55.36 54.67 3mry s GLN 224 Cb -0.07 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.93 3mry s GLN 224 CO 0.02 0.21 0.14 0.42 -2.12 0.00 0.00 175.29 173.96 3mry s ILE 225 N 0.46 4.42 -0.14 1.08 -1.09 0.38 -4.96 121.20 121.37 3mry s ILE 225 Ca -0.02 -0.55 0.04 0.00 -2.23 0.00 0.00 60.65 57.90 3mry s ILE 225 Cb -0.14 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 3mry s ILE 225 CO 0.02 0.03 0.15 0.35 -1.23 0.00 0.00 174.94 174.26 3mry n THR 226 N 4.95 0.00 -3.82 2.92 -2.24 -1.26 -1.69 114.28 113.14 3mry n THR 226 Ca -0.14 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 3mry n THR 226 Cb 0.48 0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3mry n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mry s ASN 227 N -1.66 -0.15 0.00 3.42 2.20 -1.26 -0.54 114.94 116.95 3mry s ASN 227 Ca 0.01 -0.67 0.24 0.00 -0.94 0.00 0.00 52.86 51.50 3mry s ASN 227 Cb 0.03 0.65 1.29 0.00 -2.00 0.00 0.00 41.25 41.22 3mry s ASN 227 CO 0.16 -1.24 1.79 1.33 -2.94 0.00 0.00 177.10 176.21 3mry n VAL 228 N -0.51 0.16 0.67 3.54 0.24 -0.16 -2.56 118.33 119.71 3mry n VAL 228 Ca -0.05 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.41 3mry n VAL 228 Cb 0.60 -0.66 0.47 0.00 -1.47 0.00 0.00 33.84 32.78 3mry n VAL 228 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3mry n THR 229 N -1.18 0.53 -1.70 3.34 -2.24 -1.26 -4.27 114.28 107.50 3mry n THR 229 Ca 0.14 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 3mry n THR 229 Cb 0.15 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 67.68 3mry n THR 229 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3mry n SER 230 N -1.99 2.54 -0.31 3.42 2.88 -1.06 -4.74 113.62 114.35 3mry n SER 230 Ca 0.05 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.80 3mry n SER 230 Cb 0.35 -1.50 0.34 0.00 -0.75 0.00 0.00 64.21 62.64 3mry n SER 230 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3mry h ASN 231 N 2.04 0.74 -0.63 -3.46 -0.26 -1.92 0.16 115.58 112.24 3mry h ASN 231 Ca -0.48 0.05 0.11 0.00 -0.56 0.00 0.00 56.30 55.43 3mry h ASN 231 Cb 1.30 -0.09 -0.08 0.00 -1.06 0.00 0.00 38.32 38.38 3mry h ASN 231 CO 0.60 0.35 0.19 0.58 -1.06 0.00 0.00 177.43 178.09 3mry h VAL 232 N 0.77 0.68 0.00 2.81 2.07 -1.96 0.37 116.25 121.00 3mry h VAL 232 Ca 0.49 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.73 3mry h VAL 232 Cb 0.73 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3mry h VAL 232 CO -0.26 0.06 -0.68 0.58 0.02 0.00 0.00 177.57 177.29 3mry h VAL 233 N 0.33 1.40 0.00 2.57 2.07 -1.58 -0.76 116.25 120.29 3mry h VAL 233 Ca 0.33 -2.12 -0.16 0.00 0.82 0.00 0.00 66.70 65.57 3mry h VAL 233 Cb 0.47 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 3mry h VAL 233 CO -0.37 0.62 -0.93 0.71 0.02 0.00 0.00 177.57 177.62 3mry h THR 234 N -0.03 0.95 0.00 2.57 1.35 -0.45 -3.41 112.91 113.89 3mry h THR 234 Ca -0.09 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 3mry h THR 234 Cb 1.39 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 3mry h THR 234 CO 0.13 0.54 -0.35 -1.54 -0.25 0.00 0.00 175.52 174.06 3mry n SER 235 N -3.15 1.75 -0.07 5.36 3.41 0.05 -4.99 113.62 115.99 3mry n SER 235 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.53 3mry n SER 235 Cb 0.83 0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 3mry n SER 235 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3mry h ASN 236 N 0.00 0.00 -3.52 4.04 -0.73 -1.22 -3.43 115.58 110.72 3mry h ASN 236 Ca 0.00 -0.13 -0.53 0.00 1.87 0.00 0.00 56.30 57.51 3mry h ASN 236 Cb 0.01 0.00 0.06 0.00 0.27 0.00 0.00 38.32 38.66 3mry h ASN 236 CO 0.00 0.74 0.74 -0.51 -0.37 0.00 0.00 177.43 178.03 3mry s ILE 237 N -1.98 2.63 -0.21 2.57 2.07 -0.30 0.44 121.20 126.42 3mry s ILE 237 Ca -0.11 0.56 0.03 0.00 -1.41 0.00 0.00 60.65 59.72 3mry s ILE 237 Cb 0.01 -3.36 -0.01 0.00 0.13 0.00 0.00 42.46 39.24 3mry s ILE 237 CO 0.21 0.10 0.30 0.00 -1.91 0.00 0.00 174.94 173.64 3mry n GLN 238 N 1.90 3.36 -3.71 3.50 1.13 0.23 -4.86 117.38 118.94 3mry n GLN 238 Ca 0.05 -0.28 -0.13 0.00 -1.94 0.00 0.00 57.00 54.70 3mry n GLN 238 Cb 0.40 -0.80 -0.09 0.00 0.11 0.00 0.00 30.24 29.87 3mry n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3mry s LEU 239 N -1.33 0.21 -0.13 1.08 1.43 -1.25 -4.24 118.68 114.44 3mry s LEU 239 Ca 0.02 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 3mry s LEU 239 Cb 0.02 1.63 -0.01 0.00 0.03 0.00 0.00 46.19 47.86 3mry s LEU 239 CO 0.07 -0.19 -0.15 -0.76 0.23 0.00 0.00 176.35 175.55 3mry s LEU 240 N 0.12 2.57 -0.13 1.79 1.43 -0.61 -4.96 118.68 118.90 3mry s LEU 240 Ca -0.01 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 3mry s LEU 240 Cb -0.03 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3mry s LEU 240 CO 0.01 0.14 1.50 -0.22 0.23 0.00 0.00 176.35 178.02 3mry s LEU 241 N 0.46 4.18 0.28 1.79 2.96 -1.26 -0.61 118.68 126.48 3mry s LEU 241 Ca -0.11 1.90 -0.30 0.00 -0.22 0.00 0.00 54.13 55.40 3mry s LEU 241 Cb -0.16 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 3mry s LEU 241 CO 0.05 -0.94 1.46 -3.20 -1.32 0.00 0.00 176.35 172.40 3mry n ASN 242 N 7.22 3.21 0.31 3.68 2.85 -1.25 -4.56 115.26 126.71 3mry n ASN 242 Ca 0.16 1.16 0.18 0.00 -0.11 0.00 0.00 54.58 55.97 3mry n ASN 242 Cb 0.44 -1.51 0.98 0.00 1.24 0.00 0.00 39.78 40.93 3mry n ASN 242 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3mry h THR 243 N 3.08 0.23 0.00 -0.44 1.35 -1.92 -0.02 112.91 115.19 3mry h THR 243 Ca -0.46 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3mry h THR 243 Cb 1.26 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3mry h THR 243 CO 0.74 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 176.15 3mry h LYS 244 N 0.00 0.00 -0.41 4.72 1.57 -1.95 -1.72 116.57 118.78 3mry h LYS 244 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mry h LYS 244 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3mry h LYS 244 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3mry n ASN 245 N -2.52 4.15 -0.08 0.86 3.02 -0.02 -5.08 115.26 115.59 3mry n ASN 245 Ca -0.01 -2.66 0.01 0.00 -0.03 0.00 0.00 54.58 51.89 3mry n ASN 245 Cb 0.09 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 38.77 3mry n ASN 245 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26