#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0i s ASN 3 N 0.00 6.61 -0.25 -1.34 2.47 -1.26 -3.54 114.94 117.64 1a0i s ASN 3 Ca 0.00 -1.78 -0.22 0.00 0.42 0.00 0.00 52.86 51.28 1a0i s ASN 3 Cb 0.00 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.26 1a0i s ASN 3 CO 0.00 -1.40 0.36 0.00 -3.72 0.00 0.00 177.10 172.35 1a0i n ILE 4 N 6.73 -3.11 -3.42 -5.21 0.13 -1.26 -4.94 119.36 108.27 1a0i n ILE 4 Ca 0.38 0.28 -0.44 0.00 -1.10 0.00 0.00 62.75 61.87 1a0i n ILE 4 Cb 0.49 -3.33 -0.03 0.00 -0.84 0.00 0.00 39.64 35.94 1a0i n ILE 4 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1a0i s LYS 5 N -1.79 3.58 0.31 9.51 2.20 -1.23 -4.75 119.74 127.57 1a0i s LYS 5 Ca 0.21 -2.76 0.05 0.00 -0.36 0.00 0.00 55.97 53.10 1a0i s LYS 5 Cb -0.02 -4.31 0.67 0.00 -1.51 0.00 0.00 37.83 32.65 1a0i s LYS 5 CO 0.48 -1.26 1.84 1.79 -0.36 0.00 0.00 175.35 177.85 1a0i h THR 6 N 4.48 0.87 -6.90 3.43 1.35 -1.90 -3.45 112.91 110.78 1a0i h THR 6 Ca 0.12 -0.30 -0.54 0.00 -0.55 0.00 0.00 66.41 65.14 1a0i h THR 6 Cb 0.96 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 1a0i h THR 6 CO 0.82 0.16 -0.99 -3.20 -0.25 0.00 0.00 175.52 172.06 1a0i n ASN 7 N -4.61 -4.07 -4.43 5.36 5.15 -1.26 -4.92 115.26 106.48 1a0i n ASN 7 Ca 0.19 -1.15 -0.29 0.00 -0.60 0.00 0.00 54.58 52.73 1a0i n ASN 7 Cb 0.41 -1.49 0.23 0.00 -0.53 0.00 0.00 39.78 38.40 1a0i n ASN 7 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1a0i s PRO 8 N -6.58 -0.74 -0.11 1.20 0.04 -1.26 -3.08 135.00 124.47 1a0i s PRO 8 Ca 0.32 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 1a0i s PRO 8 Cb -0.18 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1a0i s PRO 8 CO 0.90 -3.53 1.32 0.12 0.04 0.00 0.00 177.00 175.85 1a0i s PHE 9 N -2.66 2.79 -0.23 0.56 2.19 -1.19 -0.39 117.98 119.06 1a0i s PHE 9 Ca 0.68 0.91 -0.06 0.00 0.33 0.00 0.00 56.93 58.79 1a0i s PHE 9 Cb -0.21 -3.56 -0.02 0.00 -1.31 0.00 0.00 43.02 37.92 1a0i s PHE 9 CO 0.61 -2.00 0.01 0.15 1.83 0.00 0.00 175.22 175.83 1a0i s LYS 10 N 3.23 3.54 0.39 10.12 1.02 -0.48 -4.89 119.74 132.67 1a0i s LYS 10 Ca 0.58 -0.54 -0.27 0.00 0.02 0.00 0.00 55.97 55.76 1a0i s LYS 10 Cb -0.25 -3.16 -0.11 0.00 -0.52 0.00 0.00 37.83 33.79 1a0i s LYS 10 CO 0.19 -0.17 1.46 0.00 -0.92 0.00 0.00 175.35 175.92 1a0i n ALA 11 N 4.78 2.23 -1.95 5.17 0.00 -1.26 -1.71 120.51 127.76 1a0i n ALA 11 Ca -0.17 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 1a0i n ALA 11 Cb 0.51 -2.40 0.06 0.00 0.00 0.00 0.00 19.45 17.62 1a0i n ALA 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1a0i s VAL 12 N -1.13 2.87 0.65 0.00 -7.23 -0.01 -4.70 120.40 110.85 1a0i s VAL 12 Ca 0.55 0.03 -0.14 0.00 -1.81 0.00 0.00 61.98 60.61 1a0i s VAL 12 Cb -0.48 -3.23 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1a0i s VAL 12 CO 0.63 -0.27 1.07 -0.44 -0.31 0.00 0.00 175.10 175.78 1a0i s SER 13 N -4.44 5.45 -0.13 4.85 0.01 -1.26 0.50 113.70 118.68 1a0i s SER 13 Ca 0.58 1.80 -0.39 0.00 1.31 0.00 0.00 55.95 59.25 1a0i s SER 13 Cb -0.11 -2.53 -0.17 0.00 0.21 0.00 0.00 66.02 63.43 1a0i s SER 13 CO 0.47 -1.40 1.54 0.33 0.41 0.00 0.00 173.24 174.59 1a0i n PHE 14 N -2.50 1.75 -3.60 2.43 -0.00 -0.28 -4.49 117.46 110.76 1a0i n PHE 14 Ca 0.09 0.63 -0.29 0.00 -0.00 0.00 0.00 57.45 57.88 1a0i n PHE 14 Cb 0.53 -2.38 -0.15 0.00 -0.00 0.00 0.00 39.48 37.48 1a0i n PHE 14 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1a0i s VAL 15 N 2.09 0.19 0.17 -2.13 1.01 -1.26 -4.81 120.40 115.65 1a0i s VAL 15 Ca 0.93 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1a0i s VAL 15 Cb -1.05 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 34.26 1a0i s VAL 15 CO 0.58 -0.66 1.66 -0.08 0.00 0.00 0.00 175.10 176.61 1a0i h GLU 16 N 8.32 0.95 -0.78 2.72 4.81 -1.99 -2.34 114.58 126.27 1a0i h GLU 16 Ca -0.18 -0.25 0.11 0.00 -0.13 0.00 0.00 59.36 58.91 1a0i h GLU 16 Cb 1.03 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.22 1a0i h GLU 16 CO 0.43 0.90 0.41 0.66 -0.73 0.00 0.00 179.01 180.69 1a0i h SER 17 N 0.85 0.55 -0.51 1.04 4.64 -1.98 0.15 113.55 118.29 1a0i h SER 17 Ca 0.18 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 1a0i h SER 17 Cb 0.41 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1a0i h SER 17 CO 0.01 0.30 0.18 0.00 -0.87 0.00 0.00 176.83 176.45 1a0i h ALA 18 N 1.47 0.66 -0.27 5.18 0.00 -1.88 -1.83 119.26 122.59 1a0i h ALA 18 Ca 0.39 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1a0i h ALA 18 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1a0i h ALA 18 CO -0.28 0.30 -0.23 0.82 0.00 0.00 0.00 179.25 179.85 1a0i h ILE 19 N 0.68 1.31 -0.84 0.00 2.04 -0.87 -1.89 117.51 117.94 1a0i h ILE 19 Ca 0.17 -1.39 0.09 0.00 1.00 0.00 0.00 64.86 64.73 1a0i h ILE 19 Cb 0.24 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1a0i h ILE 19 CO -0.01 0.44 0.48 0.50 0.00 0.00 0.00 178.15 179.56 1a0i h LYS 20 N 0.36 0.79 -0.52 2.37 1.63 -0.63 -0.63 116.57 119.93 1a0i h LYS 20 Ca 0.05 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 1a0i h LYS 20 Cb 0.79 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 1a0i h LYS 20 CO 0.06 0.52 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.24 1a0i h LYS 21 N 0.81 0.99 0.34 1.90 3.64 -1.12 -2.07 116.57 121.06 1a0i h LYS 21 Ca 0.40 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1a0i h LYS 21 Cb 0.36 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1a0i h LYS 21 CO -0.24 1.05 -0.19 0.00 -2.27 0.00 0.00 179.45 177.80 1a0i h ALA 22 N 0.97 -0.49 -0.69 5.00 0.00 -0.61 -2.08 119.26 121.37 1a0i h ALA 22 Ca 0.14 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1a0i h ALA 22 Cb 0.68 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 1a0i h ALA 22 CO 0.05 -0.78 -0.27 1.25 0.00 0.00 0.00 179.25 179.50 1a0i h LEU 23 N -0.49 -0.96 -0.46 0.00 5.85 -1.09 0.23 115.31 118.39 1a0i h LEU 23 Ca -0.04 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1a0i h LEU 23 Cb 0.39 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1a0i h LEU 23 CO 0.06 -0.28 0.21 0.44 -0.34 0.00 0.00 178.44 178.53 1a0i h ASP 24 N -0.07 0.60 1.64 1.25 3.32 -1.28 0.92 116.42 122.80 1a0i h ASP 24 Ca 0.30 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1a0i h ASP 24 Cb 0.55 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1a0i h ASP 24 CO -0.74 0.56 -0.09 0.78 -1.72 0.00 0.00 179.24 178.03 1a0i h ASN 25 N 0.59 0.00 0.00 6.45 -0.26 -0.62 -3.36 115.58 118.38 1a0i h ASN 25 Ca 0.16 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.60 1a0i h ASN 25 Cb 0.13 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.33 1a0i h ASN 25 CO -0.02 0.09 -2.11 0.00 -1.06 0.00 0.00 177.43 174.34 1a0i n ALA 26 N -2.13 1.59 0.00 -0.83 0.00 0.73 -5.01 120.51 114.85 1a0i n ALA 26 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1a0i n ALA 26 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1a0i n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a0i n GLY 27 N 2.34 0.67 2.63 0.00 0.00 0.29 -5.03 105.19 106.09 1a0i n GLY 27 Ca -0.31 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1a0i n GLY 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1a0i n TYR 28 N -1.30 -0.03 -3.83 1.61 4.11 -1.23 -4.76 117.16 111.73 1a0i n TYR 28 Ca 0.00 -0.34 -0.12 0.00 -0.00 0.00 0.00 57.90 57.44 1a0i n TYR 28 Cb 0.00 0.14 -0.13 0.00 -0.00 0.00 0.00 39.34 39.35 1a0i n TYR 28 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1a0i s LEU 29 N 0.00 1.55 0.21 -3.48 1.43 -0.05 -4.35 118.68 114.00 1a0i s LEU 29 Ca 0.21 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 1a0i s LEU 29 Cb -0.00 0.33 -0.08 0.00 0.03 0.00 0.00 46.19 46.47 1a0i s LEU 29 CO -0.02 -0.04 0.96 -0.63 0.23 0.00 0.00 176.35 176.85 1a0i s ILE 30 N 0.14 4.14 -0.05 -0.59 -1.09 -0.86 -0.92 121.20 121.97 1a0i s ILE 30 Ca -0.01 2.04 -0.02 0.00 -2.23 0.00 0.00 60.65 60.43 1a0i s ILE 30 Cb -0.02 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1a0i s ILE 30 CO -0.00 0.44 0.08 0.00 -1.23 0.00 0.00 174.94 174.23 1a0i s ALA 31 N -0.85 0.11 0.31 9.38 0.00 0.91 -0.73 121.76 130.89 1a0i s ALA 31 Ca 0.43 0.30 0.10 0.00 0.00 0.00 0.00 51.96 52.79 1a0i s ALA 31 Cb -0.26 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1a0i s ALA 31 CO 0.32 -0.45 -0.02 -1.21 0.00 0.00 0.00 175.76 174.40 1a0i s GLU 32 N 2.04 2.10 0.49 0.00 2.02 -1.04 -0.02 118.70 124.29 1a0i s GLU 32 Ca 0.03 -1.64 -0.22 0.00 0.02 0.00 0.00 54.97 53.15 1a0i s GLU 32 Cb -0.12 -1.99 -0.06 0.00 0.10 0.00 0.00 34.13 32.06 1a0i s GLU 32 CO -0.04 0.23 1.24 0.42 0.02 0.00 0.00 175.26 177.14 1a0i s ILE 33 N -2.45 2.71 -0.59 -1.63 1.01 -1.15 -1.37 121.20 117.73 1a0i s ILE 33 Ca 0.33 0.53 -0.18 0.00 0.00 0.00 0.00 60.65 61.33 1a0i s ILE 33 Cb -0.03 -3.27 0.12 0.00 0.01 0.00 0.00 42.46 39.29 1a0i s ILE 33 CO 0.19 -0.01 0.64 -0.75 0.00 0.00 0.00 174.94 175.01 1a0i s LYS 34 N -2.78 3.05 0.55 2.79 2.20 -0.94 -4.46 119.74 120.16 1a0i s LYS 34 Ca 0.67 -1.51 -0.19 0.00 -0.36 0.00 0.00 55.97 54.58 1a0i s LYS 34 Cb -0.33 -4.30 -0.05 0.00 -1.51 0.00 0.00 37.83 31.64 1a0i s LYS 34 CO 0.40 -1.46 1.10 0.71 -0.36 0.00 0.00 175.35 175.74 1a0i s TYR 35 N 2.20 2.76 -0.38 4.03 2.02 -1.26 -4.66 117.35 122.07 1a0i s TYR 35 Ca 0.09 1.55 -0.03 0.00 -0.37 0.00 0.00 57.07 58.31 1a0i s TYR 35 Cb -0.25 -3.20 0.09 0.00 -0.40 0.00 0.00 41.96 38.19 1a0i s TYR 35 CO 0.04 -1.39 0.15 0.34 -1.57 0.00 0.00 175.55 173.12 1a0i s ASP 36 N -2.01 5.20 0.00 2.29 2.15 -1.26 -5.00 116.67 118.04 1a0i s ASP 36 Ca 0.70 -1.73 0.00 0.00 0.43 0.00 0.00 52.55 51.95 1a0i s ASP 36 Cb -0.21 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 1a0i s ASP 36 CO 0.28 -0.45 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 1a0i n GLY 37 N 4.64 3.56 3.32 2.66 0.00 -1.26 -4.79 105.19 113.31 1a0i n GLY 37 Ca -0.06 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1a0i n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a0i s VAL 38 N -0.64 2.85 -0.00 1.61 1.01 -0.84 -4.94 120.40 119.45 1a0i s VAL 38 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1a0i s VAL 38 Cb 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 1a0i s VAL 38 CO 0.00 0.52 1.79 -0.60 0.00 0.00 0.00 175.10 176.80 1a0i s ARG 39 N 0.59 4.17 -0.08 2.72 3.52 -1.26 -0.09 118.95 128.52 1a0i s ARG 39 Ca -0.08 2.39 -0.03 0.00 -0.13 0.00 0.00 55.73 57.87 1a0i s ARG 39 Cb -0.16 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 1a0i s ARG 39 CO 0.03 -0.88 0.07 0.20 -0.81 0.00 0.00 175.30 173.91 1a0i s GLY 40 N 3.69 1.99 -0.47 8.12 0.00 0.10 -3.88 107.32 116.86 1a0i s GLY 40 Ca 0.80 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.79 1a0i s GLY 40 CO 0.35 -0.54 0.24 -1.31 0.00 0.00 0.00 173.10 171.83 1a0i s ASN 41 N -1.11 4.04 -0.64 1.64 0.02 -0.31 -3.01 114.94 115.58 1a0i s ASN 41 Ca 0.16 -2.77 -0.25 0.00 -1.02 0.00 0.00 52.86 48.99 1a0i s ASN 41 Cb -0.12 -1.36 0.05 0.00 0.02 0.00 0.00 41.25 39.84 1a0i s ASN 41 CO 0.05 -0.26 1.05 -0.63 0.02 0.00 0.00 177.10 177.33 1a0i s ILE 42 N 0.10 4.18 -0.14 0.60 1.01 -0.30 -2.54 121.20 124.10 1a0i s ILE 42 Ca 0.17 0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.73 1a0i s ILE 42 Cb -0.25 -4.69 -0.03 0.00 0.01 0.00 0.00 42.46 37.50 1a0i s ILE 42 CO -0.01 -1.43 0.68 0.00 0.00 0.00 0.00 174.94 174.18 1a0i s VAL 44 N 1.50 1.43 0.65 0.00 1.01 -0.05 -0.16 120.40 124.78 1a0i s VAL 44 Ca 0.33 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1a0i s VAL 44 Cb -0.16 -1.45 0.11 0.00 0.00 0.00 0.00 36.38 34.87 1a0i s VAL 44 CO 0.13 0.30 0.90 1.51 0.00 0.00 0.00 175.10 177.94 1a0i s ASP 45 N 1.52 4.70 0.00 3.32 1.47 -0.56 -0.67 116.67 126.44 1a0i s ASP 45 Ca 0.02 -0.66 0.28 0.00 1.18 0.00 0.00 52.55 53.37 1a0i s ASP 45 Cb -0.14 0.22 1.54 0.00 -0.34 0.00 0.00 42.92 44.20 1a0i s ASP 45 CO -0.09 -1.63 2.00 -0.46 0.68 0.00 0.00 175.17 175.67 1a0i n ASN 46 N -2.54 0.00 -0.22 2.11 0.23 -1.23 -1.62 115.26 111.98 1a0i n ASN 46 Ca 0.16 -0.48 0.14 0.00 -0.53 0.00 0.00 54.58 53.86 1a0i n ASN 46 Cb 0.61 -0.15 0.52 0.00 -2.08 0.00 0.00 39.78 38.68 1a0i n ASN 46 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1a0i n THR 47 N -1.15 0.00 -2.96 5.53 -1.04 -1.26 -4.92 114.28 108.48 1a0i n THR 47 Ca 0.17 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.94 1a0i n THR 47 Cb 0.16 0.18 0.04 0.00 -1.82 0.00 0.00 70.33 68.89 1a0i n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a0i n ALA 48 N -0.66 -0.66 -2.69 2.41 0.00 -0.64 -4.94 120.51 113.34 1a0i n ALA 48 Ca 0.15 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 1a0i n ALA 48 Cb 0.31 -2.97 -0.09 0.00 0.00 0.00 0.00 19.45 16.70 1a0i n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a0i s ASN 49 N -3.06 5.26 0.22 0.00 0.01 -1.25 -2.03 114.94 114.08 1a0i s ASN 49 Ca 0.27 0.12 0.11 0.00 -0.71 0.00 0.00 52.86 52.65 1a0i s ASN 49 Cb -0.12 -1.47 -0.05 0.00 0.41 0.00 0.00 41.25 40.03 1a0i s ASN 49 CO 0.33 0.36 -0.16 -0.94 -1.51 0.00 0.00 177.10 175.18 1a0i s SER 50 N -1.06 3.82 -0.14 -1.22 1.04 -0.08 -1.50 113.70 114.56 1a0i s SER 50 Ca 0.15 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 1a0i s SER 50 Cb -0.11 -0.46 0.04 0.00 0.10 0.00 0.00 66.02 65.59 1a0i s SER 50 CO 0.04 0.08 0.00 -0.31 0.98 0.00 0.00 173.24 174.04 1a0i s TYR 51 N -1.99 1.01 -1.01 5.02 2.02 0.78 -1.45 117.35 121.72 1a0i s TYR 51 Ca 0.26 -0.60 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 1a0i s TYR 51 Cb -0.07 -0.99 0.17 0.00 -0.40 0.00 0.00 41.96 40.67 1a0i s TYR 51 CO 0.14 -0.49 1.16 -1.58 -1.57 0.00 0.00 175.55 173.21 1a0i s TRP 52 N 1.86 3.45 0.57 2.71 0.52 -1.26 -1.50 118.94 125.29 1a0i s TRP 52 Ca 0.02 -1.84 0.04 0.00 0.02 0.00 0.00 56.10 54.35 1a0i s TRP 52 Cb -0.15 -4.17 0.07 0.00 -1.15 0.00 0.00 33.47 28.07 1a0i s TRP 52 CO -0.07 -1.33 0.79 -0.51 0.02 0.00 0.00 176.95 175.85 1a0i s LEU 53 N 1.56 3.24 0.00 2.99 1.43 -1.05 -1.56 118.68 125.28 1a0i s LEU 53 Ca 0.33 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1a0i s LEU 53 Cb -0.06 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1a0i s LEU 53 CO -0.06 -1.29 0.00 -1.54 0.23 0.00 0.00 176.35 173.69 1a0i n SER 54 N -2.33 1.42 0.07 2.29 3.41 0.66 -1.16 113.62 117.98 1a0i n SER 54 Ca 0.12 -0.84 0.12 0.00 -0.26 0.00 0.00 58.87 58.01 1a0i n SER 54 Cb 0.60 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.01 1a0i n SER 54 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1a0i n ARG 55 N -0.24 0.13 -0.31 4.33 1.85 -1.25 -2.11 116.66 119.06 1a0i n ARG 55 Ca 0.00 0.24 0.08 0.00 -1.00 0.00 0.00 57.85 57.16 1a0i n ARG 55 Cb 0.00 -1.70 0.21 0.00 -1.05 0.00 0.00 32.46 29.92 1a0i n ARG 55 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1a0i n VAL 56 N -1.94 1.93 -2.65 8.89 0.31 -1.26 -4.44 118.33 119.17 1a0i n VAL 56 Ca 0.04 -1.74 -0.16 0.00 -0.01 0.00 0.00 64.34 62.47 1a0i n VAL 56 Cb 0.30 -0.08 -0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1a0i n VAL 56 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1a0i n SER 57 N -0.48 -4.22 -4.42 4.52 7.64 -0.90 -4.97 113.62 110.81 1a0i n SER 57 Ca 0.18 0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.78 1a0i n SER 57 Cb 0.74 -3.54 -0.14 0.00 -1.01 0.00 0.00 64.21 60.26 1a0i n SER 57 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1a0i s LYS 58 N -5.27 2.13 0.58 1.43 1.02 -1.26 -4.86 119.74 113.52 1a0i s LYS 58 Ca 0.10 -0.93 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 1a0i s LYS 58 Cb -0.05 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1a0i s LYS 58 CO 0.12 0.56 1.05 -0.08 -0.92 0.00 0.00 175.35 176.08 1a0i s THR 59 N -0.80 3.84 -0.32 2.17 -1.32 -1.26 -0.24 115.64 117.70 1a0i s THR 59 Ca 0.13 0.89 -0.12 0.00 -1.21 0.00 0.00 61.69 61.37 1a0i s THR 59 Cb -0.10 -3.40 -0.02 0.00 -1.51 0.00 0.00 72.50 67.46 1a0i s THR 59 CO 0.03 -0.50 0.21 -0.63 -2.21 0.00 0.00 174.62 171.52 1a0i s ILE 60 N -2.44 5.14 0.08 5.08 1.01 -0.60 -4.82 121.20 124.65 1a0i s ILE 60 Ca 0.64 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 1a0i s ILE 60 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1a0i s ILE 60 CO 0.36 0.05 1.31 -0.65 0.00 0.00 0.00 174.94 176.00 1a0i h PRO 61 N 8.44 -0.12 0.00 2.79 0.11 -1.83 0.25 132.00 141.64 1a0i h PRO 61 Ca -0.32 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1a0i h PRO 61 Cb 1.16 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1a0i h PRO 61 CO 0.62 -0.08 0.21 0.00 -0.21 0.00 0.00 178.00 178.54 1a0i h ALA 62 N -0.40 1.19 -0.09 -0.75 0.00 -1.05 -0.62 119.26 117.54 1a0i h ALA 62 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a0i h ALA 62 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1a0i h ALA 62 CO -0.42 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 179.92 1a0i n LEU 63 N -2.65 2.01 0.27 0.00 4.32 0.03 -0.35 117.00 120.63 1a0i n LEU 63 Ca -0.02 -1.67 0.17 0.00 -0.02 0.00 0.00 56.01 54.47 1a0i n LEU 63 Cb 0.25 -0.06 0.92 0.00 -1.62 0.00 0.00 43.42 42.92 1a0i n LEU 63 CO 0.12 0.49 1.15 -0.33 -1.22 0.00 0.00 177.39 177.60 1a0i h GLU 64 N 0.76 0.00 0.00 3.23 5.08 0.10 -0.02 114.58 123.74 1a0i h GLU 64 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a0i h GLU 64 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1a0i h GLU 64 CO 0.00 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 175.62 1a0i n HIS 65 N -3.64 0.00 -0.36 4.33 1.44 -1.26 -2.84 115.22 112.89 1a0i n HIS 65 Ca -0.01 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.76 1a0i n HIS 65 Cb 0.21 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.48 1a0i n HIS 65 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1a0i n LEU 66 N -0.79 3.00 -4.99 2.39 4.77 -0.02 -5.02 117.00 116.34 1a0i n LEU 66 Ca 0.13 -2.25 -0.19 0.00 -0.03 0.00 0.00 56.01 53.66 1a0i n LEU 66 Cb 0.06 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1a0i n LEU 66 CO 0.10 0.69 0.28 0.20 -1.33 0.00 0.00 177.39 177.33 1a0i s ASN 67 N -1.26 5.39 0.00 -1.43 0.02 -1.13 -4.72 114.94 111.81 1a0i s ASN 67 Ca 0.25 -0.23 0.00 0.00 -1.02 0.00 0.00 52.86 51.86 1a0i s ASN 67 Cb 0.16 -0.70 0.00 0.00 0.02 0.00 0.00 41.25 40.73 1a0i s ASN 67 CO 0.12 -1.02 0.00 0.61 0.02 0.00 0.00 177.10 176.83 1a0i n GLY 68 N -2.15 -1.86 3.75 0.66 0.00 -0.53 -4.85 105.19 100.21 1a0i n GLY 68 Ca 0.09 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1a0i n GLY 68 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a0i s PHE 69 N 0.00 3.88 -0.15 1.61 2.19 -1.26 -0.90 117.98 123.35 1a0i s PHE 69 Ca 0.00 1.86 -0.07 0.00 0.33 0.00 0.00 56.93 59.05 1a0i s PHE 69 Cb 0.00 -3.06 0.06 0.00 -1.31 0.00 0.00 43.02 38.71 1a0i s PHE 69 CO 0.00 0.20 0.33 0.34 1.83 0.00 0.00 175.22 177.93 1a0i s ASP 70 N -1.02 -0.27 0.41 6.13 -1.08 -0.86 -4.99 116.67 114.99 1a0i s ASP 70 Ca 0.42 0.74 0.13 0.00 -0.52 0.00 0.00 52.55 53.32 1a0i s ASP 70 Cb -0.27 0.71 0.98 0.00 -1.46 0.00 0.00 42.92 42.88 1a0i s ASP 70 CO 0.34 -0.20 1.93 0.58 0.52 0.00 0.00 175.17 178.35 1a0i h VAL 71 N 5.85 0.85 0.00 1.11 2.07 -1.98 -2.02 116.25 122.13 1a0i h VAL 71 Ca -0.32 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1a0i h VAL 71 Cb 1.15 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1a0i h VAL 71 CO 0.28 0.09 0.00 0.03 0.02 0.00 0.00 177.57 177.98 1a0i h ARG 72 N 0.49 0.00 0.03 1.57 3.08 -1.94 0.17 114.38 117.77 1a0i h ARG 72 Ca 0.35 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.18 1a0i h ARG 72 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1a0i h ARG 72 CO -0.12 0.00 -0.99 -1.49 -1.07 0.00 0.00 179.97 176.31 1a0i h TRP 73 N 0.00 0.39 -0.16 3.04 -0.00 -1.65 -1.83 115.95 115.74 1a0i h TRP 73 Ca 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 58.89 58.64 1a0i h TRP 73 Cb 0.18 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.30 1a0i h TRP 73 CO 0.00 1.09 0.05 -0.22 -0.00 0.00 0.00 178.44 179.36 1a0i h LYS 74 N 0.12 0.24 -0.68 0.49 1.63 -0.80 -0.49 116.57 117.08 1a0i h LYS 74 Ca -0.07 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.62 1a0i h LYS 74 Cb 1.65 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 33.21 1a0i h LYS 74 CO 0.16 0.37 0.22 0.00 -3.45 0.00 0.00 179.45 176.74 1a0i h ARG 75 N 0.07 1.06 -0.67 1.90 3.08 -1.45 -1.40 114.38 116.97 1a0i h ARG 75 Ca 0.05 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1a0i h ARG 75 Cb 0.22 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1a0i h ARG 75 CO -0.00 0.91 0.24 1.25 -1.07 0.00 0.00 179.97 181.30 1a0i h LEU 76 N 1.00 0.94 -0.83 3.04 6.46 -1.12 -2.17 115.31 122.64 1a0i h LEU 76 Ca 0.22 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1a0i h LEU 76 Cb 0.29 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1a0i h LEU 76 CO -0.01 0.88 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.59 1a0i h LEU 77 N 0.96 0.81 -0.52 2.25 4.07 -0.85 -3.22 115.31 118.81 1a0i h LEU 77 Ca 0.22 -0.22 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1a0i h LEU 77 Cb 0.25 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1a0i h LEU 77 CO -0.01 0.90 -0.26 0.78 -1.08 0.00 0.00 178.44 178.76 1a0i h ASN 78 N 0.77 0.95 -0.78 -0.43 2.35 -0.94 -3.44 115.58 114.06 1a0i h ASN 78 Ca 0.14 -0.38 -0.63 0.00 -0.55 0.00 0.00 56.30 54.88 1a0i h ASN 78 Cb 0.52 -0.26 0.03 0.00 0.05 0.00 0.00 38.32 38.66 1a0i h ASN 78 CO 0.03 1.16 0.13 -0.67 -1.65 0.00 0.00 177.43 176.42 1a0i n ASP 79 N -4.09 0.16 -0.29 5.81 -0.08 -0.84 -4.86 116.55 112.35 1a0i n ASP 79 Ca -0.00 0.91 0.11 0.00 -1.51 0.00 0.00 54.79 54.29 1a0i n ASP 79 Cb 0.48 -0.71 0.27 0.00 2.34 0.00 0.00 41.12 43.49 1a0i n ASP 79 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1a0i h ASP 80 N 2.61 0.17 0.28 1.67 3.32 -1.89 0.11 116.42 122.69 1a0i h ASP 80 Ca -0.39 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1a0i h ASP 80 Cb 1.11 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1a0i h ASP 80 CO 0.55 -0.04 0.00 0.54 -1.72 0.00 0.00 179.24 178.57 1a0i n ARG 81 N -5.11 0.20 -3.67 3.56 1.74 -1.26 -4.53 116.66 107.59 1a0i n ARG 81 Ca 0.20 0.15 -0.37 0.00 -0.77 0.00 0.00 57.85 57.06 1a0i n ARG 81 Cb 0.60 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 1a0i n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a0i n PHE 83 N 4.32 0.00 -3.68 0.00 3.72 -1.26 -4.63 117.46 115.94 1a0i n PHE 83 Ca -0.15 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.91 1a0i n PHE 83 Cb 0.52 -0.11 -0.07 0.00 -0.94 0.00 0.00 39.48 38.88 1a0i n PHE 83 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a0i n TYR 84 N -1.34 4.03 0.14 1.38 4.01 -1.26 -4.82 117.16 119.31 1a0i n TYR 84 Ca 0.06 -4.15 0.01 0.00 -0.16 0.00 0.00 57.90 53.65 1a0i n TYR 84 Cb 0.34 -1.04 0.15 0.00 -0.31 0.00 0.00 39.34 38.48 1a0i n TYR 84 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1a0i h LYS 85 N 5.83 0.00 0.00 -0.72 1.79 -1.85 -2.91 116.57 118.71 1a0i h LYS 85 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1a0i h LYS 85 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1a0i h LYS 85 CO 0.84 0.58 0.00 -0.40 -1.08 0.00 0.00 179.45 179.39 1a0i n ASP 86 N -3.50 0.32 0.00 0.86 5.75 -1.26 -4.67 116.55 114.05 1a0i n ASP 86 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 1a0i n ASP 86 Cb 0.66 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1a0i n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a0i n GLY 87 N -0.53 2.31 3.31 6.12 0.00 -1.10 -3.55 105.19 111.75 1a0i n GLY 87 Ca 0.01 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 1a0i n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a0i s PHE 88 N -2.92 0.64 -0.14 1.61 -0.71 0.15 -1.46 117.98 115.15 1a0i s PHE 88 Ca 0.00 -0.97 0.02 0.00 -1.04 0.00 0.00 56.93 54.94 1a0i s PHE 88 Cb 0.00 -0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.62 1a0i s PHE 88 CO 0.00 -0.71 -0.21 1.41 -1.34 0.00 0.00 175.22 174.37 1a0i s MET 89 N -4.03 2.93 -0.01 1.99 1.75 -0.44 -0.87 119.30 120.62 1a0i s MET 89 Ca 0.24 -0.82 -0.20 0.00 -1.25 0.00 0.00 55.69 53.66 1a0i s MET 89 Cb 0.04 -2.39 -0.05 0.00 2.84 0.00 0.00 34.83 35.27 1a0i s MET 89 CO 0.04 -0.04 0.58 -0.51 -0.65 0.00 0.00 175.02 174.43 1a0i s LEU 90 N 0.89 4.42 -0.11 4.11 1.43 0.04 -1.35 118.68 128.11 1a0i s LEU 90 Ca -0.06 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1a0i s LEU 90 Cb -0.15 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1a0i s LEU 90 CO -0.03 0.12 -0.23 -0.62 0.23 0.00 0.00 176.35 175.82 1a0i s ASP 91 N -0.25 3.17 0.00 2.29 2.15 -0.68 -1.15 116.67 122.20 1a0i s ASP 91 Ca 0.30 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1a0i s ASP 91 Cb -0.18 -1.44 0.00 0.00 -0.30 0.00 0.00 42.92 41.00 1a0i s ASP 91 CO 0.17 0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.91 1a0i n GLY 92 N 3.69 -0.85 3.63 2.66 0.00 -1.16 -1.70 105.19 111.46 1a0i n GLY 92 Ca -0.19 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1a0i n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a0i s GLU 93 N -2.00 3.98 -0.36 1.61 0.41 -0.31 -0.72 118.70 121.30 1a0i s GLU 93 Ca 0.00 -0.33 -0.16 0.00 -0.41 0.00 0.00 54.97 54.06 1a0i s GLU 93 Cb 0.00 -3.31 -0.00 0.00 -1.78 0.00 0.00 34.13 29.04 1a0i s GLU 93 CO 0.00 0.18 0.42 -0.51 -0.49 0.00 0.00 175.26 174.86 1a0i s LEU 94 N 0.66 4.49 0.12 1.80 1.43 0.88 -0.96 118.68 127.09 1a0i s LEU 94 Ca 0.05 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1a0i s LEU 94 Cb -0.13 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1a0i s LEU 94 CO 0.01 -0.43 -0.13 -0.04 0.23 0.00 0.00 176.35 175.99 1a0i s MET 95 N 2.16 1.99 0.07 1.70 -1.94 0.46 -1.98 119.30 121.76 1a0i s MET 95 Ca 0.14 -1.11 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 1a0i s MET 95 Cb -0.16 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 1a0i s MET 95 CO 0.13 0.49 0.04 0.08 -0.01 0.00 0.00 175.02 175.75 1a0i s VAL 96 N -1.24 4.32 -0.04 -6.03 1.01 -1.26 -0.46 120.40 116.70 1a0i s VAL 96 Ca 0.20 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1a0i s VAL 96 Cb -0.11 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1a0i s VAL 96 CO 0.13 0.16 0.33 -0.54 0.00 0.00 0.00 175.10 175.18 1a0i s LYS 97 N -2.23 3.82 0.00 2.72 1.02 0.13 -4.49 119.74 120.71 1a0i s LYS 97 Ca 0.27 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.51 1a0i s LYS 97 Cb -0.12 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1a0i s LYS 97 CO 0.19 0.68 0.00 0.41 -0.92 0.00 0.00 175.35 175.71 1a0i n GLY 98 N 1.97 2.50 3.72 -3.33 0.00 -1.26 -4.91 105.19 103.87 1a0i n GLY 98 Ca -0.15 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 1a0i n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a0i s VAL 99 N 0.00 1.89 0.60 1.61 -7.23 -1.26 -5.07 120.40 110.93 1a0i s VAL 99 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1a0i s VAL 99 Cb 0.00 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.35 1a0i s VAL 99 CO 0.00 0.00 0.85 1.51 -0.31 0.00 0.00 175.10 177.15 1a0i s ASP 100 N -3.94 5.09 0.32 4.85 -4.77 -1.26 -4.83 116.67 112.13 1a0i s ASP 100 Ca 0.67 0.07 -0.28 0.00 -3.30 0.00 0.00 52.55 49.71 1a0i s ASP 100 Cb -0.13 -0.86 -0.10 0.00 -1.09 0.00 0.00 42.92 40.74 1a0i s ASP 100 CO 0.55 -1.31 1.16 -0.36 0.70 0.00 0.00 175.17 175.91 1a0i s PHE 101 N -2.91 3.35 0.00 2.11 0.08 -1.26 -1.40 117.98 117.95 1a0i s PHE 101 Ca 0.59 1.60 0.00 0.00 0.12 0.00 0.00 56.93 59.24 1a0i s PHE 101 Cb -0.10 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1a0i s PHE 101 CO 0.40 -1.00 0.00 0.09 -0.10 0.00 0.00 175.22 174.61 1a0i n ASN 102 N 0.85 0.00 -0.11 1.36 3.02 -1.26 -4.75 115.26 114.37 1a0i n ASN 102 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 1a0i n ASN 102 Cb 0.45 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.51 1a0i n ASN 102 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1a0i n THR 103 N -2.00 1.53 -0.24 3.41 -1.04 -0.64 -3.59 114.28 111.71 1a0i n THR 103 Ca 0.00 -0.12 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 1a0i n THR 103 Cb 0.00 -2.01 0.12 0.00 -1.82 0.00 0.00 70.33 66.62 1a0i n THR 103 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1a0i h GLY 104 N -1.00 0.70 1.10 3.41 0.00 -1.53 0.17 103.07 105.92 1a0i h GLY 104 Ca -0.43 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1a0i h GLY 104 CO -0.26 -0.26 0.36 1.76 0.00 0.00 0.00 176.54 178.14 1a0i h SER 105 N 0.08 1.06 -0.24 0.19 0.02 -1.82 0.17 113.55 113.00 1a0i h SER 105 Ca 0.37 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1a0i h SER 105 Cb 0.62 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1a0i h SER 105 CO -0.64 0.91 0.03 1.23 -1.14 0.00 0.00 176.83 177.21 1a0i h GLY 106 N 1.16 0.44 0.21 -3.77 0.00 -1.03 -2.41 103.07 97.67 1a0i h GLY 106 Ca 0.27 -0.30 0.14 0.00 0.00 0.00 0.00 47.33 47.44 1a0i h GLY 106 CO -0.03 0.28 0.35 1.41 0.00 0.00 0.00 176.54 178.55 1a0i h LEU 107 N 0.20 0.38 -0.81 3.11 4.07 0.03 -0.40 115.31 121.88 1a0i h LEU 107 Ca 0.07 0.10 -0.12 0.00 0.08 0.00 0.00 57.88 58.01 1a0i h LEU 107 Cb 0.34 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1a0i h LEU 107 CO 0.01 0.16 -0.48 -0.07 -1.08 0.00 0.00 178.44 176.98 1a0i h LEU 108 N 0.52 0.29 -0.04 1.67 3.38 -0.76 -2.98 115.31 117.40 1a0i h LEU 108 Ca 0.42 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1a0i h LEU 108 Cb 0.61 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1a0i h LEU 108 CO -0.38 0.73 -0.40 0.54 0.09 0.00 0.00 178.44 179.03 1a0i n ARG 109 N -3.97 0.07 -2.06 1.13 1.74 -0.37 -1.17 116.66 112.02 1a0i n ARG 109 Ca -0.02 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 1a0i n ARG 109 Cb 0.53 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1a0i n ARG 109 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1a0i s THR 110 N -2.96 2.71 -0.17 0.55 2.01 -0.30 -4.72 115.64 112.77 1a0i s THR 110 Ca 0.13 0.64 -0.05 0.00 0.31 0.00 0.00 61.69 62.72 1a0i s THR 110 Cb 0.18 -3.41 0.06 0.00 0.01 0.00 0.00 72.50 69.34 1a0i s THR 110 CO 0.66 0.13 0.09 -1.59 -0.69 0.00 0.00 174.62 173.21 1a0i s LYS 111 N -1.02 0.06 0.00 4.92 0.00 -1.26 -3.02 119.74 119.42 1a0i s LYS 111 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 55.97 56.45 1a0i s LYS 111 Cb -0.41 -1.78 0.00 0.00 0.00 0.00 0.00 37.83 35.65 1a0i s LYS 111 CO 0.48 -0.66 0.00 0.91 0.00 0.00 0.00 175.35 176.08 1a0i n TRP 112 N 5.28 0.00 -0.53 1.78 5.03 -1.21 -4.85 117.44 122.94 1a0i n TRP 112 Ca -0.07 0.00 -0.30 0.00 3.03 0.00 0.00 57.50 60.16 1a0i n TRP 112 Cb 0.49 0.00 0.27 0.00 -1.03 0.00 0.00 31.31 31.04 1a0i n TRP 112 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1a0i s THR 113 N -1.39 1.45 0.00 -0.99 2.01 -0.57 -4.26 115.64 111.88 1a0i s THR 113 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1a0i s THR 113 Cb 0.00 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1a0i s THR 113 CO 0.00 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.26 1a0i n ASP 114 N -5.34 0.00 -4.56 3.53 -0.08 -1.26 -5.00 116.55 103.84 1a0i n ASP 114 Ca 0.10 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.97 1a0i n ASP 114 Cb 0.59 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.02 1a0i n ASP 114 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1a0i s THR 115 N 0.00 3.75 -0.32 5.18 2.01 -1.26 -4.66 115.64 120.34 1a0i s THR 115 Ca 0.00 0.55 0.14 0.00 0.31 0.00 0.00 61.69 62.69 1a0i s THR 115 Cb 0.00 -4.62 0.47 0.00 0.01 0.00 0.00 72.50 68.36 1a0i s THR 115 CO 0.00 -1.45 1.10 0.29 -0.69 0.00 0.00 174.62 173.88 1a0i n LYS 116 N 8.97 2.54 -2.79 4.92 4.01 -1.26 -5.11 118.16 129.45 1a0i n LYS 116 Ca 0.09 -3.86 -0.24 0.00 -0.51 0.00 0.00 58.31 53.78 1a0i n LYS 116 Cb 0.49 -1.87 0.02 0.00 -0.51 0.00 0.00 35.03 33.16 1a0i n LYS 116 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1a0i s ASN 117 N -3.56 5.79 -0.08 4.39 3.84 -1.26 -2.47 114.94 121.59 1a0i s ASN 117 Ca 0.39 0.46 -0.20 0.00 0.21 0.00 0.00 52.86 53.72 1a0i s ASN 117 Cb 0.39 -1.64 -0.04 0.00 -0.55 0.00 0.00 41.25 39.41 1a0i s ASN 117 CO -0.03 -0.80 0.55 -1.58 -2.79 0.00 0.00 177.10 172.45 1a0i s GLN 118 N -4.70 4.34 -0.03 0.43 2.00 -1.04 -4.44 119.66 116.23 1a0i s GLN 118 Ca 0.50 0.61 -0.02 0.00 -2.00 0.00 0.00 55.36 54.45 1a0i s GLN 118 Cb -0.10 -3.41 0.01 0.00 0.80 0.00 0.00 33.01 30.31 1a0i s GLN 118 CO 0.40 0.20 0.05 -1.91 -0.50 0.00 0.00 175.29 173.53 1a0i n GLU 119 N 3.43 -1.89 -1.87 1.67 2.13 -1.26 -4.78 120.64 118.07 1a0i n GLU 119 Ca -0.06 1.70 -0.29 0.00 0.66 0.00 0.00 57.16 59.17 1a0i n GLU 119 Cb 0.51 -2.32 0.10 0.00 0.27 0.00 0.00 31.44 30.00 1a0i n GLU 119 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1a0i s PHE 120 N -0.24 2.87 -0.78 4.31 -0.71 -1.26 -5.04 117.98 117.13 1a0i s PHE 120 Ca -0.05 0.75 -0.02 0.00 -1.04 0.00 0.00 56.93 56.56 1a0i s PHE 120 Cb 0.00 -3.51 0.38 0.00 -1.21 0.00 0.00 43.02 38.69 1a0i s PHE 120 CO 0.14 -1.86 2.04 1.58 -1.34 0.00 0.00 175.22 175.78 1a0i n HIS 121 N -3.37 3.07 0.00 3.49 -0.00 -1.26 -4.82 115.22 112.32 1a0i n HIS 121 Ca 0.08 -2.58 0.00 0.00 -0.00 0.00 0.00 57.72 55.22 1a0i n HIS 121 Cb 0.61 -1.29 0.00 0.00 -0.00 0.00 0.00 29.99 29.31 1a0i n HIS 121 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1a0i n ARG 130 N -0.67 0.00 -2.01 1.57 0.63 -1.26 -5.18 116.66 109.74 1a0i n ARG 130 Ca 0.57 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 57.08 1a0i n ARG 130 Cb 0.38 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.27 1a0i n ARG 130 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1a0i s LYS 131 N 0.00 4.19 -0.01 -0.14 1.02 -1.26 -4.97 119.74 118.57 1a0i s LYS 131 Ca 0.00 2.20 0.04 0.00 0.02 0.00 0.00 55.97 58.22 1a0i s LYS 131 Cb 0.00 -3.92 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 1a0i s LYS 131 CO 0.00 -0.82 -0.12 -1.59 -0.92 0.00 0.00 175.35 171.90 1a0i s LYS 132 N 3.79 1.05 0.21 1.68 -2.85 -1.26 -4.98 119.74 117.38 1a0i s LYS 132 Ca 0.73 -0.43 -0.31 0.00 -1.00 0.00 0.00 55.97 54.97 1a0i s LYS 132 Cb -0.34 -0.99 -0.10 0.00 -2.06 0.00 0.00 37.83 34.34 1a0i s LYS 132 CO 0.30 0.24 1.49 -0.51 0.10 0.00 0.00 175.35 176.96 1a0i s ASP 133 N -0.18 6.63 0.00 0.03 1.11 -1.26 -4.90 116.67 118.10 1a0i s ASP 133 Ca 0.03 2.64 0.00 0.00 0.18 0.00 0.00 52.55 55.39 1a0i s ASP 133 Cb -0.06 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.32 1a0i s ASP 133 CO -0.00 -0.75 0.00 1.17 1.18 0.00 0.00 175.17 176.77 1a0i n LYS 134 N 3.02 0.00 -3.46 8.23 3.00 -1.26 -5.19 118.16 122.50 1a0i n LYS 134 Ca 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.25 1a0i n LYS 134 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.31 1a0i n LYS 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1a0i s VAL 135 N 0.00 -0.39 -0.17 3.15 1.01 -1.26 -5.03 120.40 117.71 1a0i s VAL 135 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1a0i s VAL 135 Cb 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 1a0i s VAL 135 CO 0.00 -0.18 2.16 -2.65 0.00 0.00 0.00 175.10 174.42 1a0i n PRO 136 N 5.33 2.12 -2.44 2.72 -0.02 -1.26 -1.52 135.00 139.93 1a0i n PRO 136 Ca -0.05 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 1a0i n PRO 136 Cb 0.50 -3.12 -0.04 0.00 -0.02 0.00 0.00 33.50 30.81 1a0i n PRO 136 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1a0i s PHE 137 N 7.28 3.49 -0.20 6.00 5.36 -1.26 -4.84 117.98 133.82 1a0i s PHE 137 Ca 0.99 1.67 -0.00 0.00 -0.96 0.00 0.00 56.93 58.62 1a0i s PHE 137 Cb -0.40 -3.31 0.05 0.00 -0.34 0.00 0.00 43.02 39.02 1a0i s PHE 137 CO 0.38 -0.70 -0.04 0.15 -1.46 0.00 0.00 175.22 173.55 1a0i s LYS 138 N -1.59 1.36 0.06 10.12 -0.14 -1.26 -4.46 119.74 123.82 1a0i s LYS 138 Ca 0.46 -0.68 -0.31 0.00 -1.36 0.00 0.00 55.97 54.09 1a0i s LYS 138 Cb -0.32 -2.25 -0.08 0.00 -1.68 0.00 0.00 37.83 33.50 1a0i s LYS 138 CO 0.41 -0.54 1.63 -1.17 -0.76 0.00 0.00 175.35 174.92 1a0i s LEU 139 N 1.58 4.36 0.02 3.17 2.96 0.52 -2.48 118.68 128.81 1a0i s LEU 139 Ca -0.02 2.44 -0.30 0.00 -0.22 0.00 0.00 54.13 56.02 1a0i s LEU 139 Cb -0.17 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 1a0i s LEU 139 CO -0.07 -0.87 1.82 -2.28 -1.32 0.00 0.00 176.35 173.63 1a0i s HIS 140 N 2.69 1.68 0.56 5.38 5.65 -1.03 -4.71 115.29 125.51 1a0i s HIS 140 Ca 0.73 -0.14 0.41 0.00 0.25 0.00 0.00 55.06 56.31 1a0i s HIS 140 Cb -0.39 -4.11 1.57 0.00 -1.18 0.00 0.00 32.58 28.47 1a0i s HIS 140 CO 0.32 -4.79 1.67 1.79 -0.65 0.00 0.00 174.74 173.07 1a0i h THR 141 N 5.47 0.20 0.00 0.89 1.35 -1.91 0.23 112.91 119.15 1a0i h THR 141 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1a0i h THR 141 Cb 1.21 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1a0i h THR 141 CO 0.94 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 1a0i n GLY 142 N -1.81 -0.82 0.05 5.82 0.00 -1.25 -2.03 105.19 105.15 1a0i n GLY 142 Ca 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1a0i n GLY 142 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a0i n HIS 143 N -1.17 0.00 -2.43 1.61 -0.00 0.82 -4.91 115.22 109.14 1a0i n HIS 143 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.41 1a0i n HIS 143 Cb 0.12 -0.67 -0.02 0.00 -0.00 0.00 0.00 29.99 29.42 1a0i n HIS 143 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1a0i s LEU 144 N -4.86 4.20 -0.13 2.41 2.96 -0.86 0.21 118.68 122.62 1a0i s LEU 144 Ca -0.08 1.72 -0.00 0.00 -0.22 0.00 0.00 54.13 55.55 1a0i s LEU 144 Cb 0.08 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 1a0i s LEU 144 CO 0.76 -0.72 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.66 1a0i s HIS 145 N 3.21 2.82 0.07 5.38 5.65 0.39 -2.93 115.29 129.89 1a0i s HIS 145 Ca 0.55 -0.58 0.08 0.00 0.25 0.00 0.00 55.06 55.36 1a0i s HIS 145 Cb -0.22 -1.84 -0.03 0.00 -1.18 0.00 0.00 32.58 29.31 1a0i s HIS 145 CO 0.16 -0.17 -0.22 -1.50 -0.65 0.00 0.00 174.74 172.36 1a0i s ILE 146 N 0.27 1.81 -0.35 0.89 1.10 -0.06 -0.41 121.20 124.44 1a0i s ILE 146 Ca -0.09 -1.40 0.01 0.00 -0.51 0.00 0.00 60.65 58.66 1a0i s ILE 146 Cb -0.15 -1.60 0.11 0.00 0.15 0.00 0.00 42.46 40.97 1a0i s ILE 146 CO 0.05 0.13 0.13 -0.54 -2.11 0.00 0.00 174.94 172.60 1a0i s LYS 147 N -1.52 1.07 0.22 3.50 3.01 -0.14 -2.25 119.74 123.63 1a0i s LYS 147 Ca 0.08 -1.53 -0.30 0.00 -1.01 0.00 0.00 55.97 53.21 1a0i s LYS 147 Cb -0.09 -2.40 -0.09 0.00 -1.01 0.00 0.00 37.83 34.24 1a0i s LYS 147 CO 0.03 -1.02 1.18 -0.51 0.51 0.00 0.00 175.35 175.54 1a0i s LEU 148 N 1.09 4.47 0.00 3.17 1.02 -0.09 -1.17 118.68 127.18 1a0i s LEU 148 Ca 0.12 2.27 0.00 0.00 0.02 0.00 0.00 54.13 56.54 1a0i s LEU 148 Cb -0.20 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.40 1a0i s LEU 148 CO -0.14 -0.32 0.00 0.00 0.02 0.00 0.00 176.35 175.90 1a0i n TYR 149 N 2.05 0.00 -3.77 0.29 0.18 -0.69 -1.70 117.16 113.53 1a0i n TYR 149 Ca 0.03 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.71 1a0i n TYR 149 Cb 0.44 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.36 1a0i n TYR 149 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1a0i s ALA 150 N -0.81 -0.80 -0.14 -3.48 0.00 -0.80 -4.78 121.76 110.96 1a0i s ALA 150 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 1a0i s ALA 150 Cb 0.00 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.00 1a0i s ALA 150 CO 0.00 -0.77 0.36 -1.50 0.00 0.00 0.00 175.76 173.84 1a0i s ILE 151 N -3.88 -0.01 0.08 0.00 2.07 -1.26 -1.68 121.20 116.51 1a0i s ILE 151 Ca 0.10 0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.43 1a0i s ILE 151 Cb -0.00 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 1a0i s ILE 151 CO -0.03 0.01 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.06 1a0i s LEU 152 N 0.41 2.25 0.17 8.50 1.02 -0.46 -4.96 118.68 125.62 1a0i s LEU 152 Ca -0.02 -0.61 -0.31 0.00 0.02 0.00 0.00 54.13 53.21 1a0i s LEU 152 Cb -0.04 -0.82 -0.09 0.00 0.02 0.00 0.00 46.19 45.26 1a0i s LEU 152 CO -0.02 0.06 1.38 -2.16 0.02 0.00 0.00 176.35 175.63 1a0i s PRO 153 N -1.63 4.33 0.25 1.29 0.04 -1.26 -1.33 135.00 136.69 1a0i s PRO 153 Ca 0.05 2.12 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1a0i s PRO 153 Cb -0.09 -3.20 0.41 0.00 0.04 0.00 0.00 34.50 31.65 1a0i s PRO 153 CO 0.03 -0.38 1.84 -0.07 0.04 0.00 0.00 177.00 178.46 1a0i h LEU 154 N 6.05 0.82 -2.41 -3.56 3.38 -1.54 -1.41 115.31 116.64 1a0i h LEU 154 Ca -0.44 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1a0i h LEU 154 Cb 1.21 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1a0i h LEU 154 CO 0.82 0.49 0.17 1.12 0.09 0.00 0.00 178.44 181.13 1a0i h HIS 155 N 0.93 0.00 0.13 1.13 2.07 -1.89 0.18 115.15 117.70 1a0i h HIS 155 Ca 0.41 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.64 1a0i h HIS 155 Cb 0.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.28 1a0i h HIS 155 CO -0.03 0.00 -1.45 0.82 -3.07 0.00 0.00 177.93 174.20 1a0i h ILE 156 N 0.00 1.26 -0.40 6.12 2.04 -1.62 -1.81 117.51 123.10 1a0i h ILE 156 Ca 0.04 -2.87 0.03 0.00 1.00 0.00 0.00 64.86 63.06 1a0i h ILE 156 Cb 0.37 2.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 1a0i h ILE 156 CO -0.00 0.84 0.21 0.58 0.00 0.00 0.00 178.15 179.78 1a0i h VAL 157 N 0.07 1.00 -0.39 1.67 2.07 -0.69 -1.91 116.25 118.08 1a0i h VAL 157 Ca -0.21 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1a0i h VAL 157 Cb 2.01 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1a0i h VAL 157 CO 0.18 0.08 -0.16 -0.33 0.02 0.00 0.00 177.57 177.36 1a0i h GLU 158 N 0.43 0.71 0.00 1.57 5.08 -1.26 -3.02 114.58 118.10 1a0i h GLU 158 Ca 0.17 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1a0i h GLU 158 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a0i h GLU 158 CO -0.10 0.83 -0.61 0.66 -1.00 0.00 0.00 179.01 178.79 1a0i h SER 159 N 0.64 0.00 0.00 1.42 4.64 -1.08 -3.33 113.55 115.83 1a0i h SER 159 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1a0i h SER 159 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1a0i h SER 159 CO 0.04 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1a0i n GLY 160 N 0.43 3.36 3.67 -0.77 0.00 -0.74 -4.78 105.19 106.36 1a0i n GLY 160 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1a0i n GLY 160 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a0i n GLU 161 N -2.00 0.03 -2.47 1.61 -0.58 -1.25 -4.85 120.64 111.14 1a0i n GLU 161 Ca 0.00 0.09 -0.37 0.00 -0.42 0.00 0.00 57.16 56.46 1a0i n GLU 161 Cb 0.00 -2.38 -0.03 0.00 -0.57 0.00 0.00 31.44 28.45 1a0i n GLU 161 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1a0i s ASP 162 N -2.20 6.75 -0.23 1.62 1.01 -1.26 -4.74 116.67 117.61 1a0i s ASP 162 Ca 0.71 2.14 -0.18 0.00 0.71 0.00 0.00 52.55 55.93 1a0i s ASP 162 Cb -0.28 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.03 1a0i s ASP 162 CO 0.53 -0.51 0.51 0.00 0.21 0.00 0.00 175.17 175.92 1a0i n ASP 164 N 5.14 5.32 -3.62 0.00 2.03 -1.26 -1.36 116.55 122.79 1a0i n ASP 164 Ca -0.04 -3.09 -0.22 0.00 0.52 0.00 0.00 54.79 51.96 1a0i n ASP 164 Cb 0.50 -1.48 -0.16 0.00 -0.72 0.00 0.00 41.12 39.26 1a0i n ASP 164 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1a0i s VAL 165 N 0.31 -0.16 0.92 5.18 1.01 -1.26 -5.01 120.40 121.39 1a0i s VAL 165 Ca 0.39 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1a0i s VAL 165 Cb 0.03 -0.42 0.14 0.00 0.00 0.00 0.00 36.38 36.13 1a0i s VAL 165 CO 0.01 -0.07 1.09 -0.04 0.00 0.00 0.00 175.10 176.09 1a0i s MET 166 N 2.20 1.09 0.22 2.72 1.00 -1.26 -2.55 119.30 122.72 1a0i s MET 166 Ca 0.04 0.81 -0.09 0.00 0.00 0.00 0.00 55.69 56.45 1a0i s MET 166 Cb -0.14 -1.79 0.21 0.00 0.00 0.00 0.00 34.83 33.11 1a0i s MET 166 CO -0.07 -2.35 1.87 1.15 0.00 0.00 0.00 175.02 175.61 1a0i h THR 167 N -1.63 1.13 0.00 2.05 2.02 -0.64 -1.15 112.91 114.70 1a0i h THR 167 Ca -0.50 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 1a0i h THR 167 Cb 1.29 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1a0i h THR 167 CO 0.54 0.18 -0.23 0.17 0.37 0.00 0.00 175.52 176.55 1a0i h LEU 168 N 0.97 0.00 0.22 2.58 -0.00 -1.77 -2.53 115.31 114.79 1a0i h LEU 168 Ca 0.30 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.85 1a0i h LEU 168 Cb -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.67 1a0i h LEU 168 CO -0.10 0.23 -1.47 0.25 -0.00 0.00 0.00 178.44 177.35 1a0i h LEU 169 N 0.00 0.73 -1.27 0.17 6.46 -1.55 -3.30 115.31 116.55 1a0i h LEU 169 Ca -0.00 -0.82 0.19 0.00 -0.12 0.00 0.00 57.88 57.13 1a0i h LEU 169 Cb 0.47 -0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 1a0i h LEU 169 CO 0.03 1.65 0.61 -0.03 -0.62 0.00 0.00 178.44 180.07 1a0i h MET 170 N 0.13 0.59 0.00 1.25 4.05 -0.83 0.25 114.93 120.37 1a0i h MET 170 Ca -0.24 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.09 1a0i h MET 170 Cb 2.13 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.79 1a0i h MET 170 CO 0.25 0.39 -0.23 1.96 0.23 0.00 0.00 176.91 179.51 1a0i h GLN 171 N 0.61 0.00 -0.09 0.39 4.20 -1.61 0.72 115.11 119.33 1a0i h GLN 171 Ca 0.51 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 59.11 1a0i h GLN 171 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1a0i h GLN 171 CO -0.26 0.23 -0.39 1.49 -0.67 0.00 0.00 178.83 179.23 1a0i h GLU 172 N 0.00 0.42 -0.84 1.46 4.81 -0.66 -1.67 114.58 118.10 1a0i h GLU 172 Ca -0.00 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1a0i h GLU 172 Cb 0.41 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1a0i h GLU 172 CO 0.03 0.96 0.55 0.45 -0.73 0.00 0.00 179.01 180.28 1a0i h HIS 173 N -0.03 1.01 0.20 0.92 3.86 -0.69 0.48 115.15 120.90 1a0i h HIS 173 Ca -0.02 0.02 -0.31 0.00 -1.16 0.00 0.00 60.37 58.91 1a0i h HIS 173 Cb 1.03 -0.34 0.03 0.00 1.06 0.00 0.00 27.41 29.19 1a0i h HIS 173 CO 0.12 0.60 -1.32 0.28 0.86 0.00 0.00 177.93 178.47 1a0i h VAL 174 N 1.06 1.31 0.00 2.45 2.07 -0.91 -1.99 116.25 120.24 1a0i h VAL 174 Ca 0.33 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 1a0i h VAL 174 Cb -0.00 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1a0i h VAL 174 CO -0.09 0.78 -0.14 0.07 0.02 0.00 0.00 177.57 178.20 1a0i h LYS 175 N 0.11 0.00 0.02 1.57 2.10 -0.91 -1.73 116.57 117.73 1a0i h LYS 175 Ca -0.22 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.22 1a0i h LYS 175 Cb 2.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.33 1a0i h LYS 175 CO 0.25 0.14 -0.95 -0.91 -2.00 0.00 0.00 179.45 175.98 1a0i h ASN 176 N 0.00 0.11 0.23 7.07 -0.26 -0.94 -3.34 115.58 118.45 1a0i h ASN 176 Ca -0.00 -0.10 -0.23 0.00 -0.56 0.00 0.00 56.30 55.41 1a0i h ASN 176 Cb 0.59 -0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1a0i h ASN 176 CO 0.02 0.99 -0.94 -0.03 -1.06 0.00 0.00 177.43 176.41 1a0i h MET 177 N 0.03 0.50 -0.78 0.81 4.05 -0.85 -3.38 114.93 115.31 1a0i h MET 177 Ca -0.03 -0.52 0.15 0.00 -0.28 0.00 0.00 59.70 59.02 1a0i h MET 177 Cb 1.64 0.14 -0.15 0.00 -0.80 0.00 0.00 31.60 32.44 1a0i h MET 177 CO 0.13 1.16 -0.21 1.25 0.23 0.00 0.00 176.91 179.47 1a0i h LEU 178 N 0.29 -0.77 -1.02 3.39 5.85 -1.45 -0.87 115.31 120.73 1a0i h LEU 178 Ca -0.09 0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1a0i h LEU 178 Cb 1.58 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 43.10 1a0i h LEU 178 CO 0.17 -0.26 -0.42 -0.65 -0.34 0.00 0.00 178.44 176.94 1a0i h PRO 179 N -0.01 0.15 -0.29 5.25 0.11 -1.76 -0.85 132.00 134.60 1a0i h PRO 179 Ca 0.37 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 1a0i h PRO 179 Cb 0.57 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1a0i h PRO 179 CO -0.80 0.55 0.11 -0.07 -0.21 0.00 0.00 178.00 177.57 1a0i h LEU 180 N 0.12 0.40 -0.54 2.35 4.07 -1.40 0.27 115.31 120.58 1a0i h LEU 180 Ca 0.01 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 57.80 1a0i h LEU 180 Cb 0.80 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 1a0i h LEU 180 CO 0.06 0.48 0.36 -0.07 -1.08 0.00 0.00 178.44 178.18 1a0i h LEU 181 N 0.31 0.62 -0.82 1.67 3.38 -1.02 -0.83 115.31 118.61 1a0i h LEU 181 Ca 0.09 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1a0i h LEU 181 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1a0i h LEU 181 CO -0.01 0.45 -0.42 1.56 0.09 0.00 0.00 178.44 180.11 1a0i h GLN 182 N 0.73 0.35 0.53 1.13 4.20 -1.10 0.13 115.11 121.08 1a0i h GLN 182 Ca 0.20 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1a0i h GLN 182 Cb -0.08 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.70 1a0i h GLN 182 CO -0.04 0.72 -0.25 1.49 -0.67 0.00 0.00 178.83 180.07 1a0i h GLU 183 N 0.29 -0.68 -0.01 1.46 4.81 -0.55 -3.18 114.58 116.72 1a0i h GLU 183 Ca 0.02 0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.11 1a0i h GLU 183 Cb 0.87 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1a0i h GLU 183 CO 0.07 -0.42 -0.84 1.88 -0.73 0.00 0.00 179.01 178.97 1a0i h TYR 184 N -1.15 0.32 -2.25 0.92 0.05 -1.20 -3.36 116.97 110.30 1a0i h TYR 184 Ca -0.07 -0.17 -0.59 0.00 0.05 0.00 0.00 58.73 57.95 1a0i h TYR 184 Cb 0.57 -0.04 -0.42 0.00 1.01 0.00 0.00 36.73 37.85 1a0i h TYR 184 CO 0.01 0.96 -0.64 1.19 -1.05 0.00 0.00 178.16 178.62 1a0i n PHE 185 N -3.70 3.83 1.18 4.88 3.72 0.45 -4.90 117.46 122.92 1a0i n PHE 185 Ca -0.04 -4.04 0.05 0.00 -0.05 0.00 0.00 57.45 53.37 1a0i n PHE 185 Cb 0.78 -0.51 0.29 0.00 -0.94 0.00 0.00 39.48 39.10 1a0i n PHE 185 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1a0i n PRO 186 N 0.12 0.59 -0.10 -1.08 -0.04 -1.20 -3.11 135.00 130.18 1a0i n PRO 186 Ca 0.30 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1a0i n PRO 186 Cb 0.40 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1a0i n PRO 186 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1a0i h GLU 187 N 0.00 0.51 -6.13 0.54 3.07 -1.90 -3.44 114.58 107.23 1a0i h GLU 187 Ca 0.00 -0.15 -0.59 0.00 -0.50 0.00 0.00 59.36 58.13 1a0i h GLU 187 Cb 0.00 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 1a0i h GLU 187 CO 0.00 0.63 -0.25 0.42 -1.40 0.00 0.00 179.01 178.40 1a0i s ILE 188 N -5.12 5.10 -0.73 3.13 1.01 -1.18 -3.91 121.20 119.50 1a0i s ILE 188 Ca -0.13 0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 1a0i s ILE 188 Cb 0.08 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.98 1a0i s ILE 188 CO 0.75 0.23 1.10 -0.70 0.00 0.00 0.00 174.94 176.32 1a0i s GLU 189 N -2.07 3.20 -0.10 2.79 2.12 -1.15 -4.95 118.70 118.54 1a0i s GLU 189 Ca 0.35 -0.76 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 1a0i s GLU 189 Cb -0.13 -4.34 -0.05 0.00 0.26 0.00 0.00 34.13 29.87 1a0i s GLU 189 CO 0.19 -1.93 0.30 -1.58 -0.54 0.00 0.00 175.26 171.70 1a0i s TRP 190 N 4.49 3.58 0.23 5.30 0.52 -1.26 -0.89 118.94 130.91 1a0i s TRP 190 Ca 0.28 0.72 -0.19 0.00 0.02 0.00 0.00 56.10 56.93 1a0i s TRP 190 Cb -0.12 -2.24 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1a0i s TRP 190 CO 0.09 0.48 0.61 -0.65 0.02 0.00 0.00 176.95 177.50 1a0i s GLN 191 N -0.35 1.56 0.04 4.98 -0.21 -0.95 -4.97 119.66 119.75 1a0i s GLN 191 Ca 0.19 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 54.62 1a0i s GLN 191 Cb -0.14 0.56 -0.05 0.00 1.00 0.00 0.00 33.01 34.39 1a0i s GLN 191 CO 0.07 -0.69 0.27 0.00 -2.12 0.00 0.00 175.29 172.83 1a0i s ALA 192 N -3.89 3.87 0.53 6.09 0.00 -1.26 -0.92 121.76 126.18 1a0i s ALA 192 Ca 0.10 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1a0i s ALA 192 Cb -0.03 -2.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 1a0i s ALA 192 CO 0.01 0.68 1.39 0.00 0.00 0.00 0.00 175.76 177.84 1a0i s ALA 193 N -1.39 2.91 -0.15 0.00 0.00 -0.69 -4.75 121.76 117.70 1a0i s ALA 193 Ca 0.31 1.39 -0.28 0.00 0.00 0.00 0.00 51.96 53.37 1a0i s ALA 193 Cb -0.13 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1a0i s ALA 193 CO 0.19 -1.37 0.96 -1.21 0.00 0.00 0.00 175.76 174.33 1a0i s GLU 194 N -2.81 4.35 0.04 0.00 8.01 -1.26 -5.02 118.70 122.02 1a0i s GLU 194 Ca 0.69 1.27 0.09 0.00 0.01 0.00 0.00 54.97 57.03 1a0i s GLU 194 Cb -0.42 -3.57 -0.03 0.00 -4.31 0.00 0.00 34.13 25.81 1a0i s GLU 194 CO 0.50 -0.37 -0.26 -1.54 0.01 0.00 0.00 175.26 173.61 1a0i s SER 195 N 1.13 3.09 0.00 -0.19 1.04 -1.26 -2.94 113.70 114.57 1a0i s SER 195 Ca 0.44 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 56.33 1a0i s SER 195 Cb -0.17 -0.28 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 1a0i s SER 195 CO 0.14 0.25 -0.11 -0.31 0.98 0.00 0.00 173.24 174.19 1a0i s TYR 196 N -0.80 0.95 -0.25 5.02 1.51 0.96 -4.93 117.35 119.81 1a0i s TYR 196 Ca 0.11 -0.21 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1a0i s TYR 196 Cb -0.10 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1a0i s TYR 196 CO 0.02 -0.01 0.06 -1.21 -1.11 0.00 0.00 175.55 173.30 1a0i s GLU 197 N -0.44 3.56 -0.05 -0.62 2.02 -1.26 -0.06 118.70 121.86 1a0i s GLU 197 Ca 0.03 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1a0i s GLU 197 Cb -0.05 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 1a0i s GLU 197 CO -0.00 -0.22 -0.04 0.14 0.02 0.00 0.00 175.26 175.16 1a0i s VAL 198 N 1.59 3.90 -0.24 2.63 -7.23 -0.10 -4.91 120.40 116.04 1a0i s VAL 198 Ca 0.06 -0.50 0.20 0.00 -1.81 0.00 0.00 61.98 59.93 1a0i s VAL 198 Cb -0.15 -2.65 -0.29 0.00 0.56 0.00 0.00 36.38 33.86 1a0i s VAL 198 CO 0.03 0.53 0.53 -1.22 -0.31 0.00 0.00 175.10 174.66 1a0i n TYR 199 N 1.96 0.00 -4.15 2.82 4.01 -1.26 -0.87 117.16 119.67 1a0i n TYR 199 Ca -0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.45 1a0i n TYR 199 Cb 0.53 -0.35 -0.08 0.00 -0.31 0.00 0.00 39.34 39.13 1a0i n TYR 199 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1a0i s ASP 200 N -3.95 0.27 0.45 7.72 1.47 -1.26 -4.73 116.67 116.64 1a0i s ASP 200 Ca -0.04 -1.31 0.22 0.00 1.18 0.00 0.00 52.55 52.61 1a0i s ASP 200 Cb 0.13 0.47 1.05 0.00 -0.34 0.00 0.00 42.92 44.23 1a0i s ASP 200 CO 0.82 -0.97 1.91 0.24 0.68 0.00 0.00 175.17 177.85 1a0i h MET 201 N 2.45 0.00 -0.13 2.11 2.86 -1.99 -1.06 114.93 119.17 1a0i h MET 201 Ca -0.32 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.24 1a0i h MET 201 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1a0i h MET 201 CO 0.46 0.24 -0.24 0.28 1.06 0.00 0.00 176.91 178.71 1a0i h VAL 202 N 0.00 1.37 -0.97 -2.22 2.07 -1.99 -2.11 116.25 112.40 1a0i h VAL 202 Ca -0.00 -1.50 0.10 0.00 0.82 0.00 0.00 66.70 66.11 1a0i h VAL 202 Cb 0.59 2.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 1a0i h VAL 202 CO 0.03 0.44 0.62 -0.33 0.02 0.00 0.00 177.57 178.35 1a0i h GLU 203 N -0.02 0.98 -0.00 1.57 5.08 -1.87 -0.21 114.58 120.11 1a0i h GLU 203 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a0i h GLU 203 Cb 0.82 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1a0i h GLU 203 CO 0.05 0.65 0.00 1.25 -1.00 0.00 0.00 179.01 179.96 1a0i h LEU 204 N 1.01 0.00 -0.85 1.33 5.85 -1.06 -1.25 115.31 120.34 1a0i h LEU 204 Ca 0.45 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1a0i h LEU 204 Cb 0.37 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1a0i h LEU 204 CO -0.21 0.11 0.47 -0.61 -0.34 0.00 0.00 178.44 177.87 1a0i h GLN 205 N -0.11 1.19 -0.22 1.25 4.15 -0.87 -0.69 115.11 119.81 1a0i h GLN 205 Ca 0.00 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.31 1a0i h GLN 205 Cb 0.11 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1a0i h GLN 205 CO -0.00 0.87 0.05 1.96 -1.93 0.00 0.00 178.83 179.78 1a0i h GLN 206 N 1.19 0.14 -0.39 1.69 4.20 -0.95 -0.99 115.11 119.99 1a0i h GLN 206 Ca 0.30 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1a0i h GLN 206 Cb 0.03 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1a0i h GLN 206 CO -0.05 0.09 0.09 1.25 -0.67 0.00 0.00 178.83 179.55 1a0i h LEU 207 N 0.14 0.60 0.20 1.46 5.85 -0.82 -1.12 115.31 121.62 1a0i h LEU 207 Ca 0.10 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1a0i h LEU 207 Cb 0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1a0i h LEU 207 CO -0.12 0.68 -0.18 0.22 -0.34 0.00 0.00 178.44 178.69 1a0i h TYR 208 N 0.49 -0.48 -0.02 1.25 3.20 -0.77 -0.31 116.97 120.32 1a0i h TYR 208 Ca 0.12 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 1a0i h TYR 208 Cb 0.31 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1a0i h TYR 208 CO 0.02 -0.28 -0.63 1.05 -1.64 0.00 0.00 178.16 176.68 1a0i h GLU 209 N -0.41 0.08 -0.55 1.82 4.11 -1.19 0.36 114.58 118.79 1a0i h GLU 209 Ca -0.00 -0.06 0.11 0.00 0.07 0.00 0.00 59.36 59.48 1a0i h GLU 209 Cb 0.38 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 1a0i h GLU 209 CO -0.03 0.68 0.01 0.37 0.07 0.00 0.00 179.01 180.11 1a0i h GLN 210 N 0.05 0.13 0.00 1.06 4.15 -0.88 -0.15 115.11 119.47 1a0i h GLN 210 Ca -0.01 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1a0i h GLN 210 Cb 1.12 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1a0i h GLN 210 CO 0.09 0.08 -0.49 0.87 -1.93 0.00 0.00 178.83 177.45 1a0i h LYS 211 N 0.13 0.00 -0.68 1.69 6.56 -0.09 -2.58 116.57 121.60 1a0i h LYS 211 Ca 0.28 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.79 1a0i h LYS 211 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 1a0i h LYS 211 CO -0.45 0.49 0.11 0.00 -2.06 0.00 0.00 179.45 177.54 1a0i h ARG 212 N 0.00 1.12 0.00 3.15 2.47 -0.48 -0.66 114.38 119.98 1a0i h ARG 212 Ca -0.00 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1a0i h ARG 212 Cb 1.10 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1a0i h ARG 212 CO 0.06 1.02 0.00 0.00 0.56 0.00 0.00 179.97 181.62 1a0i n ALA 213 N -2.47 1.20 -1.03 0.04 0.00 -0.11 -0.10 120.51 118.04 1a0i n ALA 213 Ca 0.04 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.70 1a0i n ALA 213 Cb 0.30 -1.34 0.30 0.00 0.00 0.00 0.00 19.45 18.70 1a0i n ALA 213 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a0i n GLU 214 N -2.27 3.45 -1.33 0.00 1.02 -0.85 -4.04 120.64 116.62 1a0i n GLU 214 Ca -0.01 -3.01 -0.11 0.00 -0.02 0.00 0.00 57.16 54.01 1a0i n GLU 214 Cb 0.09 -2.02 -0.05 0.00 -0.02 0.00 0.00 31.44 29.43 1a0i n GLU 214 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a0i n GLY 215 N -0.24 1.24 3.81 0.62 0.00 0.86 -4.98 105.19 106.50 1a0i n GLY 215 Ca 0.28 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1a0i n GLY 215 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a0i s HIS 216 N -2.37 3.57 -0.46 1.61 3.76 -0.31 -4.98 115.29 116.11 1a0i s HIS 216 Ca 0.00 0.63 0.09 0.00 -0.15 0.00 0.00 55.06 55.64 1a0i s HIS 216 Cb 0.00 -2.16 0.56 0.00 1.11 0.00 0.00 32.58 32.09 1a0i s HIS 216 CO 0.00 0.53 1.39 0.39 -0.85 0.00 0.00 174.74 176.20 1a0i n GLU 217 N 2.56 3.55 -3.60 1.40 -0.58 -1.26 -3.26 120.64 119.44 1a0i n GLU 217 Ca -0.16 -2.18 0.00 0.00 -0.42 0.00 0.00 57.16 54.40 1a0i n GLU 217 Cb 0.53 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1a0i n GLU 217 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a0i n GLY 218 N 0.33 -1.77 3.15 0.62 0.00 -1.26 -4.54 105.19 101.72 1a0i n GLY 218 Ca 0.21 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1a0i n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a0i s LEU 219 N 0.00 2.50 -0.29 0.99 1.43 -1.10 -2.22 118.68 120.00 1a0i s LEU 219 Ca 0.00 -1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 52.05 1a0i s LEU 219 Cb 0.00 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.22 1a0i s LEU 219 CO 0.00 -0.49 0.06 -0.63 0.23 0.00 0.00 176.35 175.52 1a0i s ILE 220 N -3.65 3.73 -0.20 -0.59 -1.09 -0.47 -0.39 121.20 118.55 1a0i s ILE 220 Ca 0.10 -0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 57.47 1a0i s ILE 220 Cb 0.06 -2.95 -0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1a0i s ILE 220 CO -0.06 0.06 0.74 -0.69 -1.23 0.00 0.00 174.94 173.77 1a0i s VAL 221 N 1.45 4.93 -0.17 2.92 1.01 0.10 -2.50 120.40 128.15 1a0i s VAL 221 Ca 0.01 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 1a0i s VAL 221 Cb -0.17 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1a0i s VAL 221 CO 0.01 0.04 -0.08 -0.54 0.00 0.00 0.00 175.10 174.53 1a0i s LYS 222 N 2.20 3.45 -0.10 2.72 1.02 0.09 -0.44 119.74 128.68 1a0i s LYS 222 Ca 0.33 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1a0i s LYS 222 Cb -0.16 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1a0i s LYS 222 CO 0.10 0.07 1.77 0.34 -0.92 0.00 0.00 175.35 176.71 1a0i s ASP 223 N 0.77 6.40 0.65 2.83 2.15 0.46 -2.03 116.67 127.90 1a0i s ASP 223 Ca -0.03 2.11 0.39 0.00 0.43 0.00 0.00 52.55 55.45 1a0i s ASP 223 Cb -0.15 -2.53 2.17 0.00 -0.30 0.00 0.00 42.92 42.11 1a0i s ASP 223 CO 0.02 -1.16 2.27 1.55 -0.17 0.00 0.00 175.17 177.67 1a0i h PRO 224 N 10.72 0.00 -0.02 4.34 0.13 -1.90 -1.53 132.00 143.75 1a0i h PRO 224 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1a0i h PRO 224 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a0i h PRO 224 CO 0.97 0.00 -0.16 -1.33 -0.23 0.00 0.00 178.00 177.25 1a0i n MET 225 N -3.22 1.64 -2.59 0.86 2.81 -1.26 -2.31 117.12 113.05 1a0i n MET 225 Ca -0.02 -1.35 -0.40 0.00 -1.81 0.00 0.00 57.70 54.12 1a0i n MET 225 Cb 0.14 -1.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 1a0i n MET 225 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a0i n ILE 227 N 1.28 0.00 -2.94 0.00 -5.35 -1.26 -0.76 119.36 110.33 1a0i n ILE 227 Ca -0.01 -1.14 -0.43 0.00 -0.27 0.00 0.00 62.75 60.90 1a0i n ILE 227 Cb 0.46 -1.32 -0.05 0.00 -1.74 0.00 0.00 39.64 36.98 1a0i n ILE 227 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1a0i s TYR 228 N -3.55 3.03 0.44 4.28 6.14 -0.46 -4.84 117.35 122.38 1a0i s TYR 228 Ca 0.70 0.35 0.04 0.00 0.64 0.00 0.00 57.07 58.81 1a0i s TYR 228 Cb -0.02 -3.61 0.01 0.00 0.42 0.00 0.00 41.96 38.75 1a0i s TYR 228 CO 0.48 -0.91 0.61 0.15 0.64 0.00 0.00 175.55 176.53 1a0i s LYS 229 N 3.29 2.88 -0.16 4.97 1.02 -1.26 -0.54 119.74 129.95 1a0i s LYS 229 Ca 0.32 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1a0i s LYS 229 Cb -0.12 -2.67 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1a0i s LYS 229 CO 0.21 -0.29 -0.15 1.03 -0.92 0.00 0.00 175.35 175.23 1a0i s ARG 230 N -4.45 3.21 0.41 1.68 1.81 -1.26 -3.16 118.95 117.20 1a0i s ARG 230 Ca 0.51 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.78 1a0i s ARG 230 Cb -0.10 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 1a0i s ARG 230 CO 0.35 0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 1a0i n GLY 231 N 4.09 -2.32 3.58 -3.53 0.00 0.48 -4.79 105.19 102.70 1a0i n GLY 231 Ca -0.19 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1a0i n GLY 231 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a0i s LYS 232 N -0.32 3.26 0.07 1.61 2.20 -1.26 -1.38 119.74 123.91 1a0i s LYS 232 Ca 0.00 0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 56.29 1a0i s LYS 232 Cb 0.00 -4.16 -0.01 0.00 -1.51 0.00 0.00 37.83 32.15 1a0i s LYS 232 CO 0.00 -1.97 0.13 0.15 -0.36 0.00 0.00 175.35 173.29 1a0i s LYS 233 N 5.66 0.75 0.28 4.03 -0.14 -0.69 -4.93 119.74 124.70 1a0i s LYS 233 Ca 0.61 -0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 53.95 1a0i s LYS 233 Cb -0.14 0.29 -0.10 0.00 -1.68 0.00 0.00 37.83 36.21 1a0i s LYS 233 CO 0.27 -0.21 1.32 0.45 -0.76 0.00 0.00 175.35 176.42 1a0i s SER 234 N -2.75 6.82 0.00 2.83 0.15 -1.26 -3.44 113.70 116.05 1a0i s SER 234 Ca 0.04 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.27 1a0i s SER 234 Cb 0.05 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1a0i s SER 234 CO -0.10 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1a0i n GLY 235 N 1.48 2.39 3.37 9.45 0.00 -1.26 -5.02 105.19 115.60 1a0i n GLY 235 Ca 0.03 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1a0i n GLY 235 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a0i s TRP 236 N -0.12 2.69 -0.02 1.61 0.52 -1.26 -0.40 118.94 121.96 1a0i s TRP 236 Ca 0.00 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 55.60 1a0i s TRP 236 Cb 0.00 -1.73 -0.00 0.00 -1.15 0.00 0.00 33.47 30.59 1a0i s TRP 236 CO 0.00 -0.12 -0.13 -1.58 0.02 0.00 0.00 176.95 175.13 1a0i s TRP 237 N -0.04 1.28 -0.19 -1.98 0.51 0.42 -0.83 118.94 118.12 1a0i s TRP 237 Ca -0.04 -0.31 -0.25 0.00 -2.12 0.00 0.00 56.10 53.38 1a0i s TRP 237 Cb -0.14 -0.86 -0.01 0.00 -0.81 0.00 0.00 33.47 31.64 1a0i s TRP 237 CO 0.04 -0.09 0.85 0.15 -0.51 0.00 0.00 176.95 177.39 1a0i s LYS 238 N -0.06 4.26 -1.13 4.98 3.01 0.18 0.03 119.74 131.02 1a0i s LYS 238 Ca 0.00 1.02 -0.09 0.00 -1.01 0.00 0.00 55.97 55.89 1a0i s LYS 238 Cb -0.08 -3.60 0.26 0.00 -1.01 0.00 0.00 37.83 33.40 1a0i s LYS 238 CO 0.01 -0.40 1.22 -0.12 0.51 0.00 0.00 175.35 176.56 1a0i n MET 239 N 5.52 3.61 -3.80 1.68 1.56 0.48 -1.13 117.12 125.05 1a0i n MET 239 Ca 0.05 -4.36 -0.13 0.00 -0.27 0.00 0.00 57.70 53.00 1a0i n MET 239 Cb 0.48 -2.63 -0.12 0.00 2.15 0.00 0.00 33.22 33.11 1a0i n MET 239 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 1a0i s LYS 240 N -0.97 0.28 -0.42 2.12 2.20 -1.26 -2.69 119.74 119.00 1a0i s LYS 240 Ca 0.33 0.29 -0.28 0.00 -0.36 0.00 0.00 55.97 55.94 1a0i s LYS 240 Cb -0.07 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.38 1a0i s LYS 240 CO -0.05 -0.04 1.65 -2.14 -0.36 0.00 0.00 175.35 174.41 1a0i s PRO 241 N 0.05 3.31 -0.00 4.03 0.02 -1.26 -4.72 135.00 136.43 1a0i s PRO 241 Ca -0.01 1.07 0.06 0.00 0.02 0.00 0.00 61.00 62.14 1a0i s PRO 241 Cb -0.02 -4.16 -0.07 0.00 0.02 0.00 0.00 34.50 30.27 1a0i s PRO 241 CO 0.00 -1.89 0.23 0.39 -0.33 0.00 0.00 177.00 175.40 1a0i n GLU 242 N 8.44 4.40 -3.46 5.54 1.02 -1.17 -4.81 120.64 130.60 1a0i n GLU 242 Ca 0.19 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.94 1a0i n GLU 242 Cb 0.48 -0.82 -0.09 0.00 -0.02 0.00 0.00 31.44 30.98 1a0i n GLU 242 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1a0i s ASN 243 N -1.71 6.20 0.30 1.62 0.01 -0.99 -4.98 114.94 115.40 1a0i s ASN 243 Ca 0.02 0.22 0.05 0.00 -0.71 0.00 0.00 52.86 52.43 1a0i s ASN 243 Cb 0.04 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 1a0i s ASN 243 CO 0.24 -0.12 0.45 -1.61 -1.51 0.00 0.00 177.10 174.55 1a0i s GLU 244 N 1.82 3.30 0.08 -0.60 0.41 -1.26 0.35 118.70 122.81 1a0i s GLU 244 Ca 0.13 -0.77 -0.04 0.00 -0.41 0.00 0.00 54.97 53.88 1a0i s GLU 244 Cb -0.16 -2.81 0.02 0.00 -1.78 0.00 0.00 34.13 29.40 1a0i s GLU 244 CO 0.09 0.21 0.21 0.00 -0.49 0.00 0.00 175.26 175.28 1a0i n ALA 245 N -1.59 -0.49 -2.51 5.21 0.00 0.29 -4.86 120.51 116.56 1a0i n ALA 245 Ca -0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.84 1a0i n ALA 245 Cb 0.57 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.16 1a0i n ALA 245 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a0i s ASP 246 N -1.53 2.76 0.00 0.00 1.11 -1.26 -1.31 116.67 116.44 1a0i s ASP 246 Ca 0.04 -1.68 0.00 0.00 0.18 0.00 0.00 52.55 51.09 1a0i s ASP 246 Cb -0.01 0.52 0.00 0.00 1.07 0.00 0.00 42.92 44.50 1a0i s ASP 246 CO 0.03 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.04 1a0i n GLY 247 N -0.90 -1.73 3.59 0.21 0.00 -0.87 -4.50 105.19 100.98 1a0i n GLY 247 Ca -0.05 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1a0i n GLY 247 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a0i s ILE 248 N -1.73 3.59 0.45 -0.61 -4.36 -0.79 -0.15 121.20 117.60 1a0i s ILE 248 Ca 0.00 -0.87 -0.17 0.00 -0.26 0.00 0.00 60.65 59.34 1a0i s ILE 248 Cb 0.00 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 1a0i s ILE 248 CO 0.00 0.34 0.92 0.27 0.24 0.00 0.00 174.94 176.71 1a0i s ILE 249 N -1.04 4.53 -0.38 8.37 -5.25 0.14 -2.07 121.20 125.49 1a0i s ILE 249 Ca 0.18 1.22 0.07 0.00 -0.99 0.00 0.00 60.65 61.12 1a0i s ILE 249 Cb -0.11 -3.66 0.30 0.00 2.95 0.00 0.00 42.46 41.94 1a0i s ILE 249 CO 0.09 -0.48 1.26 0.00 -1.79 0.00 0.00 174.94 174.02 1a0i n GLN 250 N -1.07 0.90 0.00 0.37 10.64 -0.16 -0.58 117.38 127.48 1a0i n GLN 250 Ca 0.06 -1.52 0.00 0.00 -1.83 0.00 0.00 57.00 53.70 1a0i n GLN 250 Cb 0.54 -0.16 0.00 0.00 -0.86 0.00 0.00 30.24 29.76 1a0i n GLN 250 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1a0i n GLY 251 N -0.42 1.96 2.83 2.61 0.00 -1.25 -4.76 105.19 106.16 1a0i n GLY 251 Ca -0.08 -1.31 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 1a0i n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a0i s LEU 252 N 0.00 1.11 -0.10 0.99 1.02 -1.26 -1.41 118.68 119.03 1a0i s LEU 252 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1a0i s LEU 252 Cb 0.00 -0.29 -0.03 0.00 0.02 0.00 0.00 46.19 45.89 1a0i s LEU 252 CO 0.00 -0.10 0.03 0.54 0.02 0.00 0.00 176.35 176.83 1a0i s VAL 253 N 1.13 4.51 -0.04 -1.59 0.11 0.01 -4.72 120.40 119.81 1a0i s VAL 253 Ca -0.08 -0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1a0i s VAL 253 Cb -0.14 -2.93 -0.01 0.00 -1.53 0.00 0.00 36.38 31.78 1a0i s VAL 253 CO -0.02 0.59 -0.06 0.79 -3.33 0.00 0.00 175.10 173.08 1a0i n TRP 254 N 2.33 0.22 0.00 1.54 7.02 -1.26 -2.23 117.44 125.06 1a0i n TRP 254 Ca -0.19 0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1a0i n TRP 254 Cb 0.54 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1a0i n TRP 254 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a0i n GLY 255 N 1.68 3.79 3.57 6.99 0.00 -1.26 -1.64 105.19 118.32 1a0i n GLY 255 Ca -0.02 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1a0i n GLY 255 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0i s THR 256 N -0.32 3.75 -0.45 2.61 2.01 -1.24 -4.79 115.64 117.21 1a0i s THR 256 Ca 0.00 0.58 0.25 0.00 0.31 0.00 0.00 61.69 62.84 1a0i s THR 256 Cb 0.00 -4.52 0.33 0.00 0.01 0.00 0.00 72.50 68.32 1a0i s THR 256 CO 0.00 -1.31 1.71 0.07 -0.69 0.00 0.00 174.62 174.39 1a0i h LYS 257 N 11.09 0.00 -3.71 4.92 2.10 -1.81 -2.58 116.57 126.58 1a0i h LYS 257 Ca -0.27 0.00 -0.78 0.00 -2.00 0.00 0.00 60.65 57.60 1a0i h LYS 257 Cb 1.09 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 32.14 1a0i h LYS 257 CO 1.21 0.00 0.16 0.20 -2.00 0.00 0.00 179.45 179.01 1a0i s GLY 258 N -4.01 2.84 0.00 0.07 0.00 -1.26 -4.61 107.32 100.36 1a0i s GLY 258 Ca 0.07 -3.50 0.00 0.00 0.00 0.00 0.00 44.72 41.29 1a0i s GLY 258 CO 0.62 1.27 0.00 -0.10 0.00 0.00 0.00 173.10 174.88 1a0i n LEU 259 N 3.48 -0.72 -3.65 0.66 7.94 -1.26 -5.13 117.00 118.33 1a0i n LEU 259 Ca 0.17 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.04 1a0i n LEU 259 Cb 0.44 -0.18 -0.07 0.00 0.53 0.00 0.00 43.42 44.14 1a0i n LEU 259 CO 0.37 0.00 1.05 0.00 -1.11 0.00 0.00 177.39 177.70 1a0i s ALA 260 N -2.33 -2.26 0.00 1.96 0.00 -0.97 -5.02 121.76 113.14 1a0i s ALA 260 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1a0i s ALA 260 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1a0i s ALA 260 CO 0.00 -0.17 0.00 0.09 0.00 0.00 0.00 175.76 175.68 1a0i n ASN 261 N 2.03 0.00 -4.84 0.00 3.02 -1.26 -4.53 115.26 109.68 1a0i n ASN 261 Ca -0.12 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.06 1a0i n ASN 261 Cb 0.57 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 1a0i n ASN 261 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1a0i s GLU 262 N 0.00 3.68 0.00 3.52 8.01 -1.26 -4.96 118.70 127.69 1a0i s GLU 262 Ca 0.00 -0.08 0.04 0.00 0.01 0.00 0.00 54.97 54.94 1a0i s GLU 262 Cb 0.00 -3.25 0.07 0.00 -4.31 0.00 0.00 34.13 26.64 1a0i s GLU 262 CO 0.00 0.64 0.85 0.41 0.01 0.00 0.00 175.26 177.18 1a0i n GLY 263 N 2.35 0.79 3.39 -1.39 0.00 -1.26 -3.66 105.19 105.41 1a0i n GLY 263 Ca -0.18 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 1a0i n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0i s LYS 264 N -0.66 0.89 -0.08 1.61 1.02 -1.26 -4.91 119.74 116.36 1a0i s LYS 264 Ca 0.07 0.01 -0.07 0.00 0.02 0.00 0.00 55.97 56.00 1a0i s LYS 264 Cb 0.04 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.73 1a0i s LYS 264 CO 0.06 -0.27 0.32 1.55 -0.92 0.00 0.00 175.35 176.08 1a0i n VAL 265 N 1.00 0.00 1.12 3.17 3.14 -0.65 -4.71 118.33 121.40 1a0i n VAL 265 Ca -0.20 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.30 1a0i n VAL 265 Cb 0.57 -0.08 0.19 0.00 -1.06 0.00 0.00 33.84 33.46 1a0i n VAL 265 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1a0i n ILE 266 N 0.95 0.00 -3.89 1.55 -5.35 -0.76 -4.40 119.36 107.45 1a0i n ILE 266 Ca 0.08 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1a0i n ILE 266 Cb -0.01 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 1a0i n ILE 266 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a0i n GLY 267 N 1.33 -0.92 3.34 3.28 0.00 -1.16 -4.29 105.19 106.77 1a0i n GLY 267 Ca 0.14 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 1a0i n GLY 267 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a0i s PHE 268 N -3.00 1.76 -0.27 1.61 0.08 -0.87 -0.81 117.98 116.47 1a0i s PHE 268 Ca 0.00 -0.52 -0.24 0.00 0.12 0.00 0.00 56.93 56.29 1a0i s PHE 268 Cb 0.00 -0.84 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 1a0i s PHE 268 CO 0.00 0.35 0.81 -1.21 -0.10 0.00 0.00 175.22 175.07 1a0i s GLU 269 N -3.25 4.08 -0.16 0.44 0.41 -0.50 -2.19 118.70 117.53 1a0i s GLU 269 Ca 0.19 0.77 0.01 0.00 -0.41 0.00 0.00 54.97 55.53 1a0i s GLU 269 Cb -0.03 -3.69 0.02 0.00 -1.78 0.00 0.00 34.13 28.65 1a0i s GLU 269 CO 0.07 -0.60 -0.17 0.08 -0.49 0.00 0.00 175.26 174.15 1a0i s VAL 270 N 2.91 1.81 -0.18 2.63 1.01 0.04 -0.99 120.40 127.63 1a0i s VAL 270 Ca 0.34 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1a0i s VAL 270 Cb -0.15 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1a0i s VAL 270 CO 0.10 0.50 0.89 -0.22 0.00 0.00 0.00 175.10 176.37 1a0i s LEU 271 N 1.34 4.17 0.28 3.92 1.98 -0.88 -0.83 118.68 128.66 1a0i s LEU 271 Ca 0.04 1.25 -0.07 0.00 -2.89 0.00 0.00 54.13 52.45 1a0i s LEU 271 Cb -0.13 -3.33 -0.06 0.00 0.66 0.00 0.00 46.19 43.33 1a0i s LEU 271 CO -0.11 -0.46 0.57 -0.76 -1.89 0.00 0.00 176.35 173.71 1a0i s LEU 272 N 2.35 4.07 0.31 -0.68 1.02 0.96 -1.89 118.68 124.83 1a0i s LEU 272 Ca 0.40 0.82 0.06 0.00 0.02 0.00 0.00 54.13 55.43 1a0i s LEU 272 Cb -0.16 -3.63 0.86 0.00 0.02 0.00 0.00 46.19 43.28 1a0i s LEU 272 CO 0.12 -0.18 1.60 -0.33 0.02 0.00 0.00 176.35 177.58 1a0i h GLU 273 N 1.91 0.07 0.00 1.70 4.39 -1.86 0.83 114.58 121.62 1a0i h GLU 273 Ca -0.47 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1a0i h GLU 273 Cb 1.18 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1a0i h GLU 273 CO 0.67 0.05 0.00 0.66 -1.16 0.00 0.00 179.01 179.23 1a0i h SER 274 N 0.08 0.00 0.00 1.42 4.64 -1.97 -3.46 113.55 114.25 1a0i h SER 274 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1a0i h SER 274 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1a0i h SER 274 CO -0.80 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.77 1a0i n GLY 275 N 0.32 0.94 3.76 -0.77 0.00 0.28 -5.08 105.19 104.65 1a0i n GLY 275 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1a0i n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a0i s ARG 276 N -0.52 4.45 -0.31 1.61 0.52 -1.24 -4.85 118.95 118.60 1a0i s ARG 276 Ca 0.00 1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 56.10 1a0i s ARG 276 Cb 0.00 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 1a0i s ARG 276 CO 0.00 0.41 0.20 -0.51 0.02 0.00 0.00 175.30 175.42 1a0i s LEU 277 N -0.46 4.24 -0.09 2.53 1.43 -1.26 -0.02 118.68 125.04 1a0i s LEU 277 Ca 0.36 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1a0i s LEU 277 Cb -0.21 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1a0i s LEU 277 CO 0.22 -0.17 -0.14 0.54 0.23 0.00 0.00 176.35 177.04 1a0i s VAL 278 N 1.70 3.02 -0.69 -1.59 0.11 -0.01 -4.96 120.40 117.98 1a0i s VAL 278 Ca 0.06 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.25 1a0i s VAL 278 Cb -0.17 -2.22 0.17 0.00 -1.53 0.00 0.00 36.38 32.63 1a0i s VAL 278 CO 0.09 0.56 0.66 0.20 -3.33 0.00 0.00 175.10 173.28 1a0i s ASN 279 N -0.17 6.48 -0.63 3.54 0.02 -1.26 -0.78 114.94 122.14 1a0i s ASN 279 Ca -0.00 -2.22 -0.27 0.00 -1.02 0.00 0.00 52.86 49.35 1a0i s ASN 279 Cb -0.13 -2.22 -0.01 0.00 0.02 0.00 0.00 41.25 38.91 1a0i s ASN 279 CO 0.03 -0.74 1.69 0.00 0.02 0.00 0.00 177.10 178.10 1a0i s ALA 280 N 0.99 2.38 0.00 0.60 0.00 -0.93 -4.77 121.76 120.03 1a0i s ALA 280 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1a0i s ALA 280 Cb -0.19 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.66 1a0i s ALA 280 CO -0.03 -3.64 0.00 0.25 0.00 0.00 0.00 175.76 172.34 1a0i n THR 281 N 6.99 0.00 0.00 0.00 -2.24 -0.89 -2.06 114.28 116.09 1a0i n THR 281 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1a0i n THR 281 Cb 0.51 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1a0i n THR 281 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a0i n ASN 282 N 0.00 0.00 -4.78 3.42 5.03 -1.26 -3.35 115.26 114.32 1a0i n ASN 282 Ca 0.00 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.20 1a0i n ASN 282 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 1a0i n ASN 282 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1a0i s ILE 283 N 0.00 2.20 0.61 2.41 -4.36 -1.26 -4.69 121.20 116.10 1a0i s ILE 283 Ca 0.00 -1.64 0.36 0.00 -0.26 0.00 0.00 60.65 59.11 1a0i s ILE 283 Cb 0.00 -2.84 0.39 0.00 1.25 0.00 0.00 42.46 41.26 1a0i s ILE 283 CO 0.00 0.00 2.29 0.77 0.24 0.00 0.00 174.94 178.24 1a0i h SER 284 N 1.28 0.00 0.00 4.36 4.64 -1.87 -3.31 113.55 118.65 1a0i h SER 284 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1a0i h SER 284 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1a0i h SER 284 CO 0.67 0.01 0.00 -1.14 -0.87 0.00 0.00 176.83 175.50 1a0i n ARG 285 N -3.51 0.00 -0.17 4.77 3.00 -1.26 -3.26 116.66 116.24 1a0i n ARG 285 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.72 1a0i n ARG 285 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.55 1a0i n ARG 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a0i h ALA 286 N 0.00 0.65 -0.25 5.13 0.00 -1.89 -0.28 119.26 122.62 1a0i h ALA 286 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1a0i h ALA 286 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1a0i h ALA 286 CO 0.00 0.46 -0.53 1.25 0.00 0.00 0.00 179.25 180.43 1a0i h LEU 287 N 0.71 0.80 0.02 0.00 5.85 -1.92 -2.27 115.31 118.50 1a0i h LEU 287 Ca 0.13 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1a0i h LEU 287 Cb 0.53 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1a0i h LEU 287 CO 0.03 1.18 -0.36 0.24 -0.34 0.00 0.00 178.44 179.19 1a0i h MET 288 N 0.56 -0.51 0.00 1.25 2.86 -1.61 -0.86 114.93 116.62 1a0i h MET 288 Ca 0.02 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1a0i h MET 288 Cb 1.11 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1a0i h MET 288 CO 0.11 -0.34 -0.30 -0.44 1.06 0.00 0.00 176.91 177.01 1a0i h ASP 289 N -0.53 0.00 -0.03 1.22 3.32 -1.07 -1.45 116.42 117.87 1a0i h ASP 289 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1a0i h ASP 289 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1a0i h ASP 289 CO -0.27 0.30 -0.13 -0.08 -1.72 0.00 0.00 179.24 177.34 1a0i h GLU 290 N 0.00 0.14 -0.69 3.56 4.81 -1.13 -3.01 114.58 118.26 1a0i h GLU 290 Ca -0.00 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1a0i h GLU 290 Cb 0.68 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1a0i h GLU 290 CO 0.04 0.75 0.35 0.74 -0.73 0.00 0.00 179.01 180.16 1a0i h PHE 291 N -0.43 0.96 -0.12 0.92 0.04 -0.95 -2.63 116.94 114.71 1a0i h PHE 291 Ca -0.01 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1a0i h PHE 291 Cb 0.77 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 1a0i h PHE 291 CO 0.14 0.69 0.00 1.15 -0.60 0.00 0.00 178.31 179.69 1a0i h THR 292 N 0.97 1.24 -0.37 -1.55 2.02 -1.32 -0.77 112.91 113.13 1a0i h THR 292 Ca 0.24 -0.79 0.08 0.00 0.77 0.00 0.00 66.41 66.71 1a0i h THR 292 Cb 0.07 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 1a0i h THR 292 CO -0.03 0.23 -0.16 -0.33 0.37 0.00 0.00 175.52 175.59 1a0i h GLU 293 N -0.04 -0.09 -0.50 6.66 3.07 -1.37 0.95 114.58 123.25 1a0i h GLU 293 Ca 0.04 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.99 1a0i h GLU 293 Cb 0.35 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.21 1a0i h GLU 293 CO 0.01 -0.06 0.10 1.15 -1.40 0.00 0.00 179.01 178.81 1a0i h THR 294 N -0.09 0.73 -0.74 1.13 2.02 -1.42 0.13 112.91 114.67 1a0i h THR 294 Ca 0.18 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 1a0i h THR 294 Cb 0.37 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1a0i h THR 294 CO -0.43 0.04 0.32 0.58 0.37 0.00 0.00 175.52 176.40 1a0i h VAL 295 N 0.24 1.25 -0.42 3.16 2.07 0.63 -2.52 116.25 120.67 1a0i h VAL 295 Ca 0.25 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 1a0i h VAL 295 Cb 0.33 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1a0i h VAL 295 CO -0.32 0.30 -0.14 0.50 0.02 0.00 0.00 177.57 177.93 1a0i h LYS 296 N 1.05 0.77 0.01 1.57 3.64 0.25 -2.24 116.57 121.61 1a0i h LYS 296 Ca 0.25 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1a0i h LYS 296 Cb 0.17 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1a0i h LYS 296 CO -0.03 0.87 -0.65 1.49 -2.27 0.00 0.00 179.45 178.87 1a0i h GLU 297 N 0.69 0.43 -0.46 1.90 4.57 -0.69 -2.07 114.58 118.94 1a0i h GLU 297 Ca 0.11 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1a0i h GLU 297 Cb 0.62 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1a0i h GLU 297 CO 0.04 1.13 0.25 0.00 -1.18 0.00 0.00 179.01 179.25 1a0i h ALA 298 N 0.32 0.59 0.00 2.92 0.00 -1.37 0.29 119.26 122.01 1a0i h ALA 298 Ca -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1a0i h ALA 298 Cb 1.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1a0i h ALA 298 CO 0.13 0.12 -0.11 1.15 0.00 0.00 0.00 179.25 180.53 1a0i h THR 299 N 0.61 0.36 0.00 0.00 2.02 -1.44 -2.47 112.91 111.99 1a0i h THR 299 Ca 0.16 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1a0i h THR 299 Cb 0.06 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1a0i h THR 299 CO -0.03 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.16 1a0i n LEU 300 N -3.35 0.08 -2.87 2.58 4.77 0.09 -1.83 117.00 116.47 1a0i n LEU 300 Ca -0.01 -0.04 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 1a0i n LEU 300 Cb 0.31 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1a0i n LEU 300 CO 0.30 0.02 1.52 -0.24 -1.33 0.00 0.00 177.39 177.65 1a0i n SER 301 N -0.45 7.50 0.00 -1.43 2.88 -0.93 -2.61 113.62 118.57 1a0i n SER 301 Ca 0.00 -3.83 0.00 0.00 -1.33 0.00 0.00 58.87 53.71 1a0i n SER 301 Cb 0.02 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1a0i n SER 301 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a0i n GLN 302 N -0.56 1.28 -2.52 -1.46 6.02 -0.76 -5.10 117.38 114.27 1a0i n GLN 302 Ca 0.54 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.52 1a0i n GLN 302 Cb 0.27 -0.36 -0.01 0.00 1.02 0.00 0.00 30.24 31.16 1a0i n GLN 302 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1a0i n TRP 303 N -0.35 -1.48 0.00 1.08 -0.00 -1.07 -4.99 117.44 110.63 1a0i n TRP 303 Ca 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 57.50 58.37 1a0i n TRP 303 Cb 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 31.31 29.40 1a0i n TRP 303 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1a0i n GLY 304 N 2.12 -2.04 2.87 5.87 0.00 -1.26 -5.03 105.19 107.72 1a0i n GLY 304 Ca -0.07 0.69 -0.01 0.00 0.00 0.00 0.00 46.02 46.63 1a0i n GLY 304 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1a0i n PHE 305 N -1.80 -2.90 -1.91 1.61 7.35 -1.26 -5.03 117.46 113.52 1a0i n PHE 305 Ca 0.00 1.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.97 1a0i n PHE 305 Cb 0.00 -3.18 0.00 0.00 0.35 0.00 0.00 39.48 36.65 1a0i n PHE 305 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 1a0i n PHE 306 N 0.79 0.00 0.00 -5.13 -1.74 -1.26 -5.13 117.46 105.00 1a0i n PHE 306 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1a0i n PHE 306 Cb 0.17 -0.53 0.00 0.00 1.52 0.00 0.00 39.48 40.65 1a0i n PHE 306 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1a0i n ASP 315 N 1.41 0.00 -3.86 5.98 9.92 -1.26 -5.12 116.55 123.61 1a0i n ASP 315 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 1a0i n ASP 315 Cb 0.25 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.57 1a0i n ASP 315 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a0i s ALA 316 N 0.00 0.74 0.21 2.24 0.00 -1.26 -5.13 121.76 118.57 1a0i s ALA 316 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.92 1a0i s ALA 316 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1a0i s ALA 316 CO 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 175.76 175.46 1a0i n THR 318 N -0.41 0.10 -2.63 0.00 -1.04 -1.26 -4.95 114.28 104.09 1a0i n THR 318 Ca -0.08 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 1a0i n THR 318 Cb 0.61 -0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 1a0i n THR 318 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a0i s ILE 319 N 4.26 4.65 -0.56 12.58 1.01 -1.26 -4.98 121.20 136.90 1a0i s ILE 319 Ca 1.07 1.92 -0.18 0.00 0.00 0.00 0.00 60.65 63.46 1a0i s ILE 319 Cb -1.32 -4.24 0.10 0.00 0.01 0.00 0.00 42.46 37.01 1a0i s ILE 319 CO 0.71 0.04 0.63 0.21 0.00 0.00 0.00 174.94 176.53 1a0i s ASN 320 N 1.15 6.19 0.00 3.58 3.04 -1.26 -4.38 114.94 123.25 1a0i s ASN 320 Ca 0.51 -1.44 -0.03 0.00 0.04 0.00 0.00 52.86 51.94 1a0i s ASN 320 Cb -0.21 -2.27 -0.15 0.00 -1.54 0.00 0.00 41.25 37.08 1a0i s ASN 320 CO 0.21 -1.00 2.52 -0.81 -3.04 0.00 0.00 177.10 174.99 1a0i n PRO 321 N 6.00 1.32 0.00 0.43 -0.04 -1.26 -2.27 135.00 139.18 1a0i n PRO 321 Ca -0.10 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1a0i n PRO 321 Cb 0.42 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1a0i n PRO 321 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a0i n TYR 322 N 2.38 0.00 -1.68 0.54 4.01 -1.26 -5.04 117.16 116.11 1a0i n TYR 322 Ca 0.24 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.55 1a0i n TYR 322 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 1a0i n TYR 322 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1a0i n ASP 323 N 0.00 2.65 0.00 7.72 -0.08 -0.96 -1.19 116.55 124.68 1a0i n ASP 323 Ca 0.00 1.17 0.00 0.00 -1.51 0.00 0.00 54.79 54.45 1a0i n ASP 323 Cb 0.02 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.04 1a0i n ASP 323 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a0i n GLY 324 N 1.54 2.50 3.63 0.27 0.00 0.25 -4.97 105.19 108.40 1a0i n GLY 324 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1a0i n GLY 324 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1a0i s TRP 325 N -2.23 1.27 0.47 1.61 -0.11 -0.34 -4.56 118.94 115.05 1a0i s TRP 325 Ca 0.00 0.09 -0.22 0.00 1.22 0.00 0.00 56.10 57.18 1a0i s TRP 325 Cb 0.00 -4.08 -0.07 0.00 -1.50 0.00 0.00 33.47 27.82 1a0i s TRP 325 CO 0.00 -4.70 1.14 0.00 -4.62 0.00 0.00 176.95 168.78 1a0i s ALA 326 N 6.39 2.93 0.32 5.86 0.00 -1.26 0.26 121.76 136.26 1a0i s ALA 326 Ca 0.93 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 53.71 1a0i s ALA 326 Cb -0.37 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1a0i s ALA 326 CO 0.38 -0.63 0.49 0.00 0.00 0.00 0.00 175.76 176.00 1a0i s GLN 328 N -3.23 2.77 0.14 0.00 0.74 0.15 -2.06 119.66 118.17 1a0i s GLN 328 Ca 0.28 -0.75 0.05 0.00 0.05 0.00 0.00 55.36 54.98 1a0i s GLN 328 Cb -0.01 -2.36 -0.04 0.00 1.10 0.00 0.00 33.01 31.70 1a0i s GLN 328 CO 0.17 -0.15 0.12 0.96 -0.55 0.00 0.00 175.29 175.84 1a0i s ILE 329 N 1.18 4.49 0.09 -2.34 -4.36 -0.42 -1.02 121.20 118.81 1a0i s ILE 329 Ca 0.01 -1.00 0.07 0.00 -0.26 0.00 0.00 60.65 59.47 1a0i s ILE 329 Cb -0.14 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 1a0i s ILE 329 CO -0.08 -0.05 -0.13 -0.94 0.24 0.00 0.00 174.94 173.98 1a0i s SER 330 N -2.91 4.21 0.17 4.36 1.04 0.16 0.10 113.70 120.83 1a0i s SER 330 Ca 0.30 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1a0i s SER 330 Cb -0.11 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 1a0i s SER 330 CO 0.23 0.20 0.07 -0.72 0.98 0.00 0.00 173.24 174.00 1a0i s TYR 331 N -1.14 1.08 -0.13 5.02 1.13 0.16 -0.66 117.35 122.79 1a0i s TYR 331 Ca 0.19 -1.24 -0.13 0.00 -1.41 0.00 0.00 57.07 54.48 1a0i s TYR 331 Cb -0.11 -0.58 -0.11 0.00 -1.10 0.00 0.00 41.96 40.06 1a0i s TYR 331 CO 0.11 -0.48 0.24 0.52 -2.51 0.00 0.00 175.55 173.43 1a0i h MET 332 N 2.72 0.00 0.00 -3.49 2.86 -0.05 -2.60 114.93 114.37 1a0i h MET 332 Ca -0.36 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.14 1a0i h MET 332 Cb 1.22 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.85 1a0i h MET 332 CO 0.58 0.44 -0.04 -0.85 1.06 0.00 0.00 176.91 178.10 1a0i n GLU 333 N -4.66 0.49 -3.89 1.72 0.28 -1.10 -4.62 120.64 108.86 1a0i n GLU 333 Ca -0.08 -1.67 -0.23 0.00 -0.16 0.00 0.00 57.16 55.01 1a0i n GLU 333 Cb 0.28 1.68 -0.17 0.00 1.43 0.00 0.00 31.44 34.66 1a0i n GLU 333 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1a0i s GLU 334 N -2.41 0.90 0.67 3.44 2.12 -1.26 0.02 118.70 122.18 1a0i s GLU 334 Ca 0.16 -0.03 -0.15 0.00 0.36 0.00 0.00 54.97 55.32 1a0i s GLU 334 Cb -0.01 -1.11 0.01 0.00 0.26 0.00 0.00 34.13 33.27 1a0i s GLU 334 CO 0.12 -0.25 1.12 0.99 -0.54 0.00 0.00 175.26 176.70 1a0i s THR 335 N 1.70 3.10 0.26 -1.70 2.01 0.71 -4.93 115.64 116.79 1a0i s THR 335 Ca 0.02 0.51 -0.03 0.00 0.31 0.00 0.00 61.69 62.50 1a0i s THR 335 Cb -0.13 -3.03 0.27 0.00 0.01 0.00 0.00 72.50 69.62 1a0i s THR 335 CO -0.05 -0.32 1.66 1.55 -0.69 0.00 0.00 174.62 176.78 1a0i h PRO 336 N -0.06 0.22 -0.73 4.92 0.13 -2.01 -1.46 132.00 133.00 1a0i h PRO 336 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1a0i h PRO 336 Cb 1.25 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1a0i h PRO 336 CO 0.53 0.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.05 1a0i n ASP 337 N -5.21 0.73 0.00 1.44 5.75 -1.26 -4.80 116.55 113.21 1a0i n ASP 337 Ca 0.17 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1a0i n ASP 337 Cb 0.55 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1a0i n ASP 337 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a0i n GLY 338 N 0.13 0.69 3.72 6.12 0.00 -0.55 -5.00 105.19 110.31 1a0i n GLY 338 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1a0i n GLY 338 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a0i s SER 339 N -2.57 6.77 -0.34 1.61 0.01 -1.24 -4.80 113.70 113.14 1a0i s SER 339 Ca 0.00 2.44 -0.19 0.00 1.31 0.00 0.00 55.95 59.50 1a0i s SER 339 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 1a0i s SER 339 CO 0.00 -0.67 0.59 -0.76 0.41 0.00 0.00 173.24 172.81 1a0i s LEU 340 N 0.75 4.26 -0.10 2.44 1.02 -1.26 -0.21 118.68 125.58 1a0i s LEU 340 Ca 0.64 0.14 -0.29 0.00 0.02 0.00 0.00 54.13 54.64 1a0i s LEU 340 Cb -0.39 -2.72 -0.01 0.00 0.02 0.00 0.00 46.19 43.09 1a0i s LEU 340 CO 0.33 -0.53 0.98 -0.60 0.02 0.00 0.00 176.35 176.55 1a0i s ARG 341 N 2.57 4.43 -0.91 1.70 3.52 0.10 -4.46 118.95 125.90 1a0i s ARG 341 Ca 0.22 1.35 -0.07 0.00 -0.13 0.00 0.00 55.73 57.11 1a0i s ARG 341 Cb -0.15 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1a0i s ARG 341 CO 0.14 -0.28 0.75 0.72 -0.81 0.00 0.00 175.30 175.81 1a0i n HIS 342 N 4.88 -2.45 -3.12 5.12 8.25 -1.26 0.45 115.22 127.09 1a0i n HIS 342 Ca 0.08 0.86 -0.37 0.00 -0.26 0.00 0.00 57.72 58.02 1a0i n HIS 342 Cb 0.49 -3.70 -0.06 0.00 1.12 0.00 0.00 29.99 27.84 1a0i n HIS 342 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1a0i s PRO 343 N -4.36 4.30 0.32 -0.41 0.04 -1.26 -3.54 135.00 130.09 1a0i s PRO 343 Ca 0.20 0.88 0.03 0.00 0.04 0.00 0.00 61.00 62.16 1a0i s PRO 343 Cb -0.05 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 1a0i s PRO 343 CO 0.80 0.49 0.11 -1.12 0.04 0.00 0.00 177.00 177.32 1a0i s SER 344 N -1.44 1.89 0.14 6.66 0.01 0.16 -2.09 113.70 119.04 1a0i s SER 344 Ca 0.38 -1.49 -0.14 0.00 1.31 0.00 0.00 55.95 56.02 1a0i s SER 344 Cb -0.19 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 66.21 1a0i s SER 344 CO 0.22 -0.78 0.54 0.12 0.41 0.00 0.00 173.24 173.74 1a0i s PHE 345 N -3.49 3.60 0.00 2.43 5.36 -1.21 -0.66 117.98 124.00 1a0i s PHE 345 Ca 0.34 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 1a0i s PHE 345 Cb 0.06 -2.35 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1a0i s PHE 345 CO 0.15 0.43 0.00 0.28 -1.46 0.00 0.00 175.22 174.62 1a0i n VAL 346 N 0.78 0.00 -3.50 3.12 0.31 -0.19 -4.72 118.33 114.13 1a0i n VAL 346 Ca -0.05 0.16 -0.16 0.00 -0.01 0.00 0.00 64.34 64.28 1a0i n VAL 346 Cb 0.52 -1.16 -0.05 0.00 -0.91 0.00 0.00 33.84 32.24 1a0i n VAL 346 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a0i s MET 347 N -0.99 1.05 0.20 5.55 0.23 -1.05 -5.02 119.30 119.27 1a0i s MET 347 Ca 0.00 0.08 -0.30 0.00 -1.03 0.00 0.00 55.69 54.45 1a0i s MET 347 Cb 0.00 0.49 -0.08 0.00 -1.53 0.00 0.00 34.83 33.71 1a0i s MET 347 CO 0.00 -0.36 1.10 -0.06 -2.03 0.00 0.00 175.02 173.67 1a0i s PHE 348 N -1.76 3.59 0.00 3.16 0.08 -1.26 0.29 117.98 122.08 1a0i s PHE 348 Ca -0.07 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.59 1a0i s PHE 348 Cb -0.00 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 1a0i s PHE 348 CO 0.04 -0.62 0.00 -2.13 -0.10 0.00 0.00 175.22 172.41