#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4a s GLY 2 N 0.00 -0.49 -0.02 2.92 0.00 -1.26 -5.06 107.32 103.41 1d4a s GLY 2 Ca 0.00 2.50 0.17 0.00 0.00 0.00 0.00 44.72 47.39 1d4a s GLY 2 CO 0.00 2.32 0.46 0.54 0.00 0.00 0.00 173.10 176.42 1d4a n ARG 3 N 3.88 0.78 -3.97 2.90 5.12 -1.26 -4.94 116.66 119.17 1d4a n ARG 3 Ca -0.19 -0.12 -0.35 0.00 -1.93 0.00 0.00 57.85 55.27 1d4a n ARG 3 Cb 0.58 -1.37 -0.11 0.00 -1.16 0.00 0.00 32.46 30.40 1d4a n ARG 3 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1d4a s ARG 4 N -3.03 3.88 -0.00 5.56 0.52 -1.26 0.82 118.95 125.44 1d4a s ARG 4 Ca -0.03 -0.38 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 1d4a s ARG 4 Cb 0.11 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1d4a s ARG 4 CO 0.70 0.15 -0.16 0.00 0.02 0.00 0.00 175.30 176.01 1d4a s ALA 5 N 0.71 1.32 -0.12 2.13 0.00 -0.51 0.49 121.76 125.78 1d4a s ALA 5 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1d4a s ALA 5 Cb -0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1d4a s ALA 5 CO 0.02 0.31 -0.17 -1.17 0.00 0.00 0.00 175.76 174.76 1d4a s LEU 6 N -0.50 2.51 -0.27 0.00 2.96 0.22 -1.50 118.68 122.09 1d4a s LEU 6 Ca 0.06 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1d4a s LEU 6 Cb -0.06 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.11 1d4a s LEU 6 CO -0.00 0.16 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.55 1d4a s ILE 7 N 0.36 3.23 -0.34 6.68 1.01 -0.27 -0.59 121.20 131.27 1d4a s ILE 7 Ca -0.13 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.37 1d4a s ILE 7 Cb -0.17 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1d4a s ILE 7 CO 0.07 0.09 0.29 -0.69 0.00 0.00 0.00 174.94 174.70 1d4a s VAL 8 N 1.36 5.24 -0.12 2.92 1.01 0.12 -1.17 120.40 129.77 1d4a s VAL 8 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1d4a s VAL 8 Cb -0.17 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1d4a s VAL 8 CO -0.02 -0.05 -0.03 -0.22 0.00 0.00 0.00 175.10 174.78 1d4a s LEU 9 N 1.84 3.37 -0.60 3.92 2.96 -0.57 -0.80 118.68 128.81 1d4a s LEU 9 Ca 0.08 -0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1d4a s LEU 9 Cb -0.17 -1.79 0.21 0.00 0.50 0.00 0.00 46.19 44.94 1d4a s LEU 9 CO 0.11 0.27 0.57 0.00 -1.32 0.00 0.00 176.35 175.98 1d4a n ALA 10 N 2.86 3.45 -3.61 5.97 0.00 -0.53 -2.19 120.51 126.46 1d4a n ALA 10 Ca -0.18 -4.27 -0.10 0.00 0.00 0.00 0.00 53.44 48.89 1d4a n ALA 10 Cb 0.53 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 1d4a n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1d4a s HIS 11 N -1.59 -0.81 -0.67 0.00 5.04 -1.26 -4.39 115.29 111.61 1d4a s HIS 11 Ca 0.33 1.73 0.25 0.00 -1.54 0.00 0.00 55.06 55.83 1d4a s HIS 11 Cb 0.07 0.40 0.69 0.00 0.04 0.00 0.00 32.58 33.79 1d4a s HIS 11 CO -0.11 -0.41 1.72 0.66 -2.34 0.00 0.00 174.74 174.26 1d4a h SER 12 N 6.48 0.00 -3.30 9.88 4.64 -1.98 -3.44 113.55 125.83 1d4a h SER 12 Ca -0.31 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.38 1d4a h SER 12 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 1d4a h SER 12 CO 0.19 0.01 -0.57 -1.61 -0.87 0.00 0.00 176.83 173.98 1d4a s GLU 13 N -3.13 3.95 0.27 4.77 0.41 -1.26 -4.96 118.70 118.77 1d4a s GLU 13 Ca 0.10 -0.36 0.25 0.00 -0.41 0.00 0.00 54.97 54.55 1d4a s GLU 13 Cb 0.11 -3.20 0.99 0.00 -1.78 0.00 0.00 34.13 30.24 1d4a s GLU 13 CO 0.62 0.26 1.74 0.00 -0.49 0.00 0.00 175.26 177.38 1d4a h ARG 14 N 6.74 0.00 -0.01 1.61 -0.00 -2.00 -2.68 114.38 118.04 1d4a h ARG 14 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.11 1d4a h ARG 14 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.14 1d4a h ARG 14 CO 0.70 0.00 -0.21 0.25 0.00 0.00 0.00 179.97 180.70 1d4a n THR 15 N -2.30 0.00 -1.56 2.04 -2.24 -1.26 -4.71 114.28 104.26 1d4a n THR 15 Ca 0.02 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 1d4a n THR 15 Cb 0.26 0.44 0.06 0.00 -2.10 0.00 0.00 70.33 68.98 1d4a n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1d4a s SER 16 N -2.41 5.23 0.30 3.42 1.04 -1.01 -4.95 113.70 115.32 1d4a s SER 16 Ca 0.27 1.59 0.12 0.00 0.48 0.00 0.00 55.95 58.40 1d4a s SER 16 Cb 0.20 -2.44 0.45 0.00 0.10 0.00 0.00 66.02 64.33 1d4a s SER 16 CO 0.49 -1.53 1.66 0.15 0.98 0.00 0.00 173.24 174.99 1d4a h PHE 17 N -0.78 0.00 -0.65 5.02 3.57 -1.92 -2.21 116.94 119.97 1d4a h PHE 17 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1d4a h PHE 17 Cb 1.22 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1d4a h PHE 17 CO 0.60 0.55 0.40 -0.91 -2.23 0.00 0.00 178.31 176.72 1d4a h ASN 18 N 0.00 0.77 -0.60 0.41 2.35 -1.92 0.13 115.58 116.72 1d4a h ASN 18 Ca -0.01 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1d4a h ASN 18 Cb 0.99 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1d4a h ASN 18 CO 0.07 0.58 0.02 0.22 -1.65 0.00 0.00 177.43 176.67 1d4a h TYR 19 N 0.88 1.15 -0.88 1.19 3.20 -1.73 -2.00 116.97 118.78 1d4a h TYR 19 Ca 0.23 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1d4a h TYR 19 Cb -0.05 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 1d4a h TYR 19 CO -0.02 1.00 0.58 0.00 -1.64 0.00 0.00 178.16 178.08 1d4a h ALA 20 N 1.03 1.12 -0.42 1.82 0.00 -0.75 -1.45 119.26 120.61 1d4a h ALA 20 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1d4a h ALA 20 Cb 0.53 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1d4a h ALA 20 CO 0.03 0.50 -0.06 0.52 0.00 0.00 0.00 179.25 180.24 1d4a h MET 21 N 1.18 0.72 -0.33 0.00 2.86 -0.43 -1.62 114.93 117.31 1d4a h MET 21 Ca 0.33 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1d4a h MET 21 Cb -0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1d4a h MET 21 CO -0.08 0.78 -0.11 -0.22 1.06 0.00 0.00 176.91 178.34 1d4a h LYS 22 N 0.67 0.66 -0.69 1.72 3.11 -0.71 -1.49 116.57 119.84 1d4a h LYS 22 Ca 0.12 -0.27 -0.07 0.00 -2.81 0.00 0.00 60.65 57.63 1d4a h LYS 22 Cb 0.50 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 1d4a h LYS 22 CO 0.03 0.85 0.16 0.93 -2.81 0.00 0.00 179.45 178.60 1d4a h GLU 23 N 0.43 1.12 -0.63 1.90 4.39 -1.16 -1.66 114.58 118.97 1d4a h GLU 23 Ca 0.08 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1d4a h GLU 23 Cb 0.62 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1d4a h GLU 23 CO 0.04 0.99 0.22 0.00 -1.16 0.00 0.00 179.01 179.10 1d4a h ALA 24 N 1.07 0.82 -0.42 3.43 0.00 -1.20 -0.96 119.26 122.00 1d4a h ALA 24 Ca 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1d4a h ALA 24 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1d4a h ALA 24 CO 0.00 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.80 1d4a h ALA 25 N 1.08 0.56 0.42 0.00 0.00 -1.10 -1.63 119.26 118.59 1d4a h ALA 25 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1d4a h ALA 25 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1d4a h ALA 25 CO -0.01 0.26 -0.21 0.00 0.00 0.00 0.00 179.25 179.28 1d4a h ALA 26 N 0.94 -0.58 -0.06 0.00 0.00 -1.11 -1.40 119.26 117.05 1d4a h ALA 26 Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1d4a h ALA 26 Cb 0.35 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1d4a h ALA 26 CO 0.01 -0.83 -0.22 0.00 0.00 0.00 0.00 179.25 178.20 1d4a h ALA 27 N 0.00 -0.24 -0.37 0.00 0.00 -1.12 -0.98 119.26 116.55 1d4a h ALA 27 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1d4a h ALA 27 Cb 0.45 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1d4a h ALA 27 CO 0.08 -0.70 0.12 0.00 0.00 0.00 0.00 179.25 178.75 1d4a h ALA 28 N 0.60 0.42 -0.63 0.00 0.00 -1.25 -2.07 119.26 116.33 1d4a h ALA 28 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1d4a h ALA 28 Cb 0.43 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1d4a h ALA 28 CO -0.25 -0.27 0.31 -0.07 0.00 0.00 0.00 179.25 178.97 1d4a h LEU 29 N 0.27 0.82 -0.66 0.00 4.07 -0.98 -2.65 115.31 116.18 1d4a h LEU 29 Ca 0.17 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 58.01 1d4a h LEU 29 Cb 0.15 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1d4a h LEU 29 CO -0.18 0.71 0.43 0.11 -1.08 0.00 0.00 178.44 178.44 1d4a h LYS 30 N 0.86 0.88 -0.01 1.13 1.57 -0.98 -1.40 116.57 118.62 1d4a h LYS 30 Ca 0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1d4a h LYS 30 Cb 0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1d4a h LYS 30 CO -0.03 0.59 0.01 0.87 -0.57 0.00 0.00 179.45 180.32 1d4a h LYS 31 N 0.90 0.01 -0.55 3.15 1.57 -1.07 -0.94 116.57 119.64 1d4a h LYS 31 Ca 0.24 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1d4a h LYS 31 Cb -0.09 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1d4a h LYS 31 CO -0.05 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.47 1d4a n LYS 32 N -4.54 2.49 -0.52 3.15 4.76 -0.72 -4.92 118.16 117.85 1d4a n LYS 32 Ca -0.03 -1.75 0.00 0.00 -2.87 0.00 0.00 58.31 53.66 1d4a n LYS 32 Cb 0.09 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1d4a n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1d4a n GLY 33 N 0.97 0.73 3.89 0.72 0.00 -0.36 -5.07 105.19 106.08 1d4a n GLY 33 Ca 0.16 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1d4a n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1d4a s TRP 34 N -2.00 3.54 -0.22 1.61 0.52 -0.61 -4.92 118.94 116.86 1d4a s TRP 34 Ca 0.00 0.98 -0.13 0.00 0.02 0.00 0.00 56.10 56.97 1d4a s TRP 34 Cb 0.00 -2.42 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1d4a s TRP 34 CO 0.00 -0.27 0.28 -2.00 0.02 0.00 0.00 176.95 174.98 1d4a s GLU 35 N -4.46 4.12 -0.17 4.98 2.12 0.24 -4.33 118.70 121.21 1d4a s GLU 35 Ca 0.50 -0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.81 1d4a s GLU 35 Cb -0.10 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.76 1d4a s GLU 35 CO 0.41 0.01 -0.18 0.08 -0.54 0.00 0.00 175.26 175.04 1d4a s VAL 36 N 1.18 2.35 0.13 3.70 1.01 -1.26 -1.42 120.40 126.08 1d4a s VAL 36 Ca 0.13 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1d4a s VAL 36 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1d4a s VAL 36 CO 0.06 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.84 1d4a s VAL 37 N 1.06 2.94 0.21 2.92 1.01 -0.56 -5.02 120.40 122.95 1d4a s VAL 37 Ca -0.01 -1.54 0.08 0.00 0.00 0.00 0.00 61.98 60.51 1d4a s VAL 37 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1d4a s VAL 37 CO -0.06 0.05 -0.15 -1.61 0.00 0.00 0.00 175.10 173.33 1d4a s GLU 38 N -2.32 1.35 -0.43 2.72 2.02 -1.26 -1.11 118.70 119.66 1d4a s GLU 38 Ca 0.20 -1.59 0.03 0.00 0.02 0.00 0.00 54.97 53.62 1d4a s GLU 38 Cb -0.10 -1.17 0.16 0.00 0.10 0.00 0.00 34.13 33.12 1d4a s GLU 38 CO 0.11 0.20 0.31 -1.12 0.02 0.00 0.00 175.26 174.79 1d4a s SER 39 N -3.30 2.43 -0.97 -0.19 0.01 -0.31 -4.90 113.70 106.46 1d4a s SER 39 Ca 0.23 -2.89 -0.20 0.00 1.31 0.00 0.00 55.95 54.39 1d4a s SER 39 Cb -0.01 -0.63 0.10 0.00 0.21 0.00 0.00 66.02 65.68 1d4a s SER 39 CO 0.07 -0.21 1.27 -0.62 0.41 0.00 0.00 173.24 174.16 1d4a s ASP 40 N 0.17 6.58 0.28 2.44 -1.08 -1.26 -1.50 116.67 122.29 1d4a s ASP 40 Ca 0.27 -1.80 0.01 0.00 -0.52 0.00 0.00 52.55 50.51 1d4a s ASP 40 Cb -0.07 -2.47 0.66 0.00 -1.46 0.00 0.00 42.92 39.58 1d4a s ASP 40 CO -0.12 -1.25 1.69 -0.07 0.52 0.00 0.00 175.17 175.94 1d4a h LEU 41 N 11.41 0.22 -0.32 -1.34 3.38 -1.81 -1.41 115.31 125.43 1d4a h LEU 41 Ca 0.18 0.16 -0.17 0.00 0.09 0.00 0.00 57.88 58.13 1d4a h LEU 41 Cb 1.02 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1d4a h LEU 41 CO 1.24 -0.02 -0.46 1.88 0.09 0.00 0.00 178.44 181.17 1d4a h TYR 42 N 0.35 1.08 -0.59 1.13 0.05 -1.85 -1.27 116.97 115.87 1d4a h TYR 42 Ca 0.52 -0.36 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 1d4a h TYR 42 Cb 0.97 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 1d4a h TYR 42 CO -0.18 1.18 0.30 0.00 -1.05 0.00 0.00 178.16 178.41 1d4a h ALA 43 N 0.71 1.43 -0.03 3.88 0.00 -1.64 0.15 119.26 123.77 1d4a h ALA 43 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d4a h ALA 43 Cb 1.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1d4a h ALA 43 CO 0.11 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1d4a n MET 44 N -4.38 1.51 -3.92 0.00 -0.00 -0.63 -4.92 117.12 104.79 1d4a n MET 44 Ca 0.05 -0.75 -0.25 0.00 -0.00 0.00 0.00 57.70 56.76 1d4a n MET 44 Cb 0.11 -1.47 -0.01 0.00 -0.00 0.00 0.00 33.22 31.85 1d4a n MET 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1d4a n ASN 45 N -0.08 -0.44 -4.72 3.17 5.15 0.04 -4.84 115.26 113.54 1d4a n ASN 45 Ca 0.20 -0.98 -0.42 0.00 -0.60 0.00 0.00 54.58 52.77 1d4a n ASN 45 Cb 0.29 -3.20 -0.03 0.00 -0.53 0.00 0.00 39.78 36.31 1d4a n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1d4a n PHE 46 N -4.38 2.75 -2.40 1.20 7.35 -0.54 -4.95 117.46 116.49 1d4a n PHE 46 Ca -0.31 0.04 -0.43 0.00 -0.76 0.00 0.00 57.45 56.00 1d4a n PHE 46 Cb 0.68 -2.67 -0.02 0.00 0.35 0.00 0.00 39.48 37.82 1d4a n PHE 46 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1d4a s ASN 47 N 1.15 6.38 0.00 -2.13 3.04 -1.26 -4.89 114.94 117.23 1d4a s ASN 47 Ca 0.75 0.73 0.19 0.00 0.04 0.00 0.00 52.86 54.57 1d4a s ASN 47 Cb -0.51 -2.54 0.68 0.00 -1.54 0.00 0.00 41.25 37.34 1d4a s ASN 47 CO 0.33 -1.42 1.50 -0.81 -3.04 0.00 0.00 177.10 173.66 1d4a n PRO 48 N 8.07 1.73 -3.80 0.43 -0.04 -1.26 -4.84 135.00 135.29 1d4a n PRO 48 Ca 0.15 -1.10 -0.36 0.00 -0.04 0.00 0.00 63.50 62.15 1d4a n PRO 48 Cb 0.48 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 1d4a n PRO 48 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1d4a s ILE 49 N -1.75 4.34 0.18 0.52 1.01 -1.26 -4.24 121.20 120.00 1d4a s ILE 49 Ca 0.31 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 1d4a s ILE 49 Cb 0.16 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 1d4a s ILE 49 CO 0.24 0.35 1.41 -0.63 0.00 0.00 0.00 174.94 176.32 1d4a s ILE 50 N 1.47 2.99 0.22 2.92 1.01 -1.26 -4.99 121.20 123.58 1d4a s ILE 50 Ca 0.06 0.77 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 1d4a s ILE 50 Cb -0.15 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 38.89 1d4a s ILE 50 CO 0.04 0.09 0.91 -0.94 0.00 0.00 0.00 174.94 175.04 1d4a s SER 51 N 0.72 -0.11 0.20 3.58 1.04 -1.26 -5.00 113.70 112.87 1d4a s SER 51 Ca 0.62 -0.64 0.18 0.00 0.48 0.00 0.00 55.95 56.60 1d4a s SER 51 Cb -0.39 0.59 0.85 0.00 0.10 0.00 0.00 66.02 67.17 1d4a s SER 51 CO 0.36 -1.14 1.56 -2.11 0.98 0.00 0.00 173.24 172.89 1d4a n ARG 52 N -0.54 0.12 0.00 4.02 1.85 -1.26 -1.63 116.66 119.22 1d4a n ARG 52 Ca -0.05 0.47 0.11 0.00 -1.00 0.00 0.00 57.85 57.38 1d4a n ARG 52 Cb 0.60 -1.79 0.61 0.00 -1.05 0.00 0.00 32.46 30.83 1d4a n ARG 52 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1d4a n LYS 53 N -2.03 0.42 0.04 2.89 5.02 -1.26 -2.29 118.16 120.94 1d4a n LYS 53 Ca 0.01 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 1d4a n LYS 53 Cb 0.13 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.15 1d4a n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1d4a n ASP 54 N -1.22 0.34 -4.24 4.39 8.00 -0.65 -4.67 116.55 118.50 1d4a n ASP 54 Ca 0.12 0.47 -0.34 0.00 0.71 0.00 0.00 54.79 55.75 1d4a n ASP 54 Cb 0.16 -0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 40.58 1d4a n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1d4a s ILE 55 N -3.04 2.85 -0.15 0.53 1.01 -0.97 -0.21 121.20 121.22 1d4a s ILE 55 Ca 0.12 -0.68 0.17 0.00 0.00 0.00 0.00 60.65 60.27 1d4a s ILE 55 Cb 0.16 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 1d4a s ILE 55 CO 0.57 0.48 1.02 0.74 0.00 0.00 0.00 174.94 177.75 1d4a h THR 56 N 5.77 0.54 -5.53 2.92 2.02 -0.52 -3.48 112.91 114.63 1d4a h THR 56 Ca -0.41 -1.94 -0.46 0.00 0.77 0.00 0.00 66.41 64.36 1d4a h THR 56 Cb 1.16 2.08 0.09 0.00 -1.74 0.00 0.00 68.15 69.74 1d4a h THR 56 CO 0.61 0.31 0.12 0.61 0.37 0.00 0.00 175.52 177.54 1d4a n GLY 57 N 1.33 0.61 3.72 2.16 0.00 -1.24 -5.03 105.19 106.73 1d4a n GLY 57 Ca -0.05 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1d4a n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4a s LYS 58 N -5.13 4.37 0.62 1.61 1.02 -1.26 -4.99 119.74 115.97 1d4a s LYS 58 Ca 0.67 2.01 -0.15 0.00 0.02 0.00 0.00 55.97 58.52 1d4a s LYS 58 Cb -0.04 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1d4a s LYS 58 CO 0.44 -0.33 1.06 -0.51 -0.92 0.00 0.00 175.35 175.09 1d4a s LEU 59 N 0.67 3.41 0.13 3.17 1.43 -1.26 -4.97 118.68 121.27 1d4a s LEU 59 Ca 0.61 1.78 -0.03 0.00 -1.03 0.00 0.00 54.13 55.46 1d4a s LEU 59 Cb -0.35 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.24 1d4a s LEU 59 CO 0.33 -1.25 1.30 0.50 0.23 0.00 0.00 176.35 177.46 1d4a h LYS 60 N 0.17 0.34 -2.37 1.70 3.64 -1.96 -3.40 116.57 114.69 1d4a h LYS 60 Ca -0.46 -0.39 -0.58 0.00 -1.27 0.00 0.00 60.65 57.95 1d4a h LYS 60 Cb 1.22 0.12 -0.38 0.00 -0.41 0.00 0.00 32.23 32.78 1d4a h LYS 60 CO 0.57 1.08 -0.94 0.34 -2.27 0.00 0.00 179.45 178.23 1d4a s ASP 61 N -7.05 1.63 0.24 4.20 -1.08 -1.26 -5.02 116.67 108.32 1d4a s ASP 61 Ca -0.05 -2.86 -0.05 0.00 -0.52 0.00 0.00 52.55 49.07 1d4a s ASP 61 Cb 0.09 -0.37 0.35 0.00 -1.46 0.00 0.00 42.92 41.53 1d4a s ASP 61 CO 0.86 -0.19 1.83 -0.65 0.52 0.00 0.00 175.17 177.53 1d4a h PRO 62 N 5.89 0.84 0.00 4.34 0.11 -2.00 -2.92 132.00 138.26 1d4a h PRO 62 Ca 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1d4a h PRO 62 Cb 0.93 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1d4a h PRO 62 CO 0.34 0.55 -0.14 0.00 -0.21 0.00 0.00 178.00 178.54 1d4a n ALA 63 N -2.36 2.44 -3.33 -0.75 0.00 -1.26 -4.16 120.51 111.09 1d4a n ALA 63 Ca 0.13 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1d4a n ALA 63 Cb 0.22 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 1d4a n ALA 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1d4a n ASN 64 N -2.19 1.40 -4.66 0.00 5.15 -1.11 -5.10 115.26 108.74 1d4a n ASN 64 Ca 0.05 -2.92 -0.42 0.00 -0.60 0.00 0.00 54.58 50.68 1d4a n ASN 64 Cb 0.43 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.00 1d4a n ASN 64 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1d4a s PHE 65 N -1.47 2.03 -0.30 1.20 5.36 -1.20 -4.83 117.98 118.77 1d4a s PHE 65 Ca 0.36 0.24 0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1d4a s PHE 65 Cb 0.14 -3.89 0.07 0.00 -0.34 0.00 0.00 43.02 38.99 1d4a s PHE 65 CO -0.09 -3.74 -0.03 -0.65 -1.46 0.00 0.00 175.22 169.25 1d4a s GLN 66 N 3.99 2.07 0.17 10.12 -1.52 -1.26 -5.04 119.66 128.19 1d4a s GLN 66 Ca 0.72 -1.50 -0.15 0.00 -1.95 0.00 0.00 55.36 52.48 1d4a s GLN 66 Cb -0.33 -3.07 0.13 0.00 -0.22 0.00 0.00 33.01 29.52 1d4a s GLN 66 CO 0.29 -0.71 1.69 -0.92 -0.25 0.00 0.00 175.29 175.39 1d4a h TYR 67 N 7.79 -0.02 0.22 0.91 3.20 -1.98 -1.88 116.97 125.21 1d4a h TYR 67 Ca -0.15 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1d4a h TYR 67 Cb 1.04 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1d4a h TYR 67 CO 0.58 -0.08 -0.42 -1.35 -1.64 0.00 0.00 178.16 175.25 1d4a h PRO 68 N 0.11 -0.70 -0.37 1.82 0.11 -1.98 0.21 132.00 131.20 1d4a h PRO 68 Ca 0.21 0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 1d4a h PRO 68 Cb 0.30 0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1d4a h PRO 68 CO -0.35 -0.46 0.16 0.00 -0.21 0.00 0.00 178.00 177.14 1d4a h ALA 69 N -0.30 0.48 -0.46 -0.75 0.00 -1.98 -1.54 119.26 114.70 1d4a h ALA 69 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1d4a h ALA 69 Cb 0.71 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1d4a h ALA 69 CO -0.18 0.06 -0.15 0.93 0.00 0.00 0.00 179.25 179.90 1d4a h GLU 70 N 0.45 0.88 -0.39 0.00 4.39 -1.28 -1.32 114.58 117.32 1d4a h GLU 70 Ca 0.12 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 59.36 1d4a h GLU 70 Cb 0.15 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1d4a h GLU 70 CO -0.01 0.97 -0.30 0.66 -1.16 0.00 0.00 179.01 179.17 1d4a h SER 71 N 0.78 0.89 -0.51 1.42 4.64 -0.50 -1.12 113.55 119.15 1d4a h SER 71 Ca 0.12 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 1d4a h SER 71 Cb 0.68 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1d4a h SER 71 CO 0.05 1.12 0.19 0.58 -0.87 0.00 0.00 176.83 177.90 1d4a h VAL 72 N 0.72 1.22 -0.77 0.95 2.07 -1.10 -1.51 116.25 117.82 1d4a h VAL 72 Ca 0.08 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1d4a h VAL 72 Cb 0.85 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1d4a h VAL 72 CO 0.07 0.27 0.31 0.25 0.02 0.00 0.00 177.57 178.49 1d4a h LEU 73 N 0.69 1.05 -1.08 2.57 5.85 -1.12 -1.68 115.31 121.60 1d4a h LEU 73 Ca 0.17 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1d4a h LEU 73 Cb 0.23 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1d4a h LEU 73 CO -0.01 0.93 -0.17 0.00 -0.34 0.00 0.00 178.44 178.85 1d4a h ALA 74 N 1.22 1.23 -0.30 1.25 0.00 -0.84 -1.61 119.26 120.21 1d4a h ALA 74 Ca 0.26 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1d4a h ALA 74 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1d4a h ALA 74 CO -0.02 0.50 -0.24 -0.92 0.00 0.00 0.00 179.25 178.57 1d4a h TYR 75 N 0.41 0.82 0.00 0.00 3.20 -0.86 0.87 116.97 121.41 1d4a h TYR 75 Ca 0.07 -0.23 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 1d4a h TYR 75 Cb 0.54 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1d4a h TYR 75 CO 0.02 0.96 -0.31 0.87 -1.64 0.00 0.00 178.16 178.06 1d4a h LYS 76 N 0.44 0.00 -0.18 1.82 1.57 -1.03 -3.08 116.57 116.12 1d4a h LYS 76 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1d4a h LYS 76 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1d4a h LYS 76 CO 0.06 0.31 0.00 0.39 -0.57 0.00 0.00 179.45 179.64 1d4a n GLU 77 N -4.18 1.84 -1.72 3.15 1.02 -0.63 -5.00 120.64 115.12 1d4a n GLU 77 Ca -0.02 -1.79 -0.04 0.00 -0.02 0.00 0.00 57.16 55.30 1d4a n GLU 77 Cb 0.35 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1d4a n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d4a n GLY 78 N 1.02 0.38 2.13 0.62 0.00 -0.15 -4.98 105.19 104.21 1d4a n GLY 78 Ca 0.13 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1d4a n GLY 78 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1d4a n HIS 79 N -3.60 2.91 -2.97 1.61 1.44 0.12 -5.03 115.22 109.70 1d4a n HIS 79 Ca -0.04 -2.43 -0.31 0.00 -2.01 0.00 0.00 57.72 52.92 1d4a n HIS 79 Cb 0.38 -0.32 -0.05 0.00 0.12 0.00 0.00 29.99 30.12 1d4a n HIS 79 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1d4a s LEU 80 N -3.60 3.93 0.26 2.39 1.43 -1.25 0.20 118.68 122.05 1d4a s LEU 80 Ca 0.51 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 1d4a s LEU 80 Cb 0.41 -4.07 -0.14 0.00 0.03 0.00 0.00 46.19 42.42 1d4a s LEU 80 CO -0.01 -0.32 1.05 -0.24 0.23 0.00 0.00 176.35 177.06 1d4a n SER 81 N -0.87 1.30 0.22 2.29 2.88 0.71 -4.74 113.62 115.40 1d4a n SER 81 Ca 0.03 1.17 0.10 0.00 -1.33 0.00 0.00 58.87 58.84 1d4a n SER 81 Cb 0.54 -1.27 0.65 0.00 -0.75 0.00 0.00 64.21 63.38 1d4a n SER 81 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1d4a h PRO 82 N 2.36 0.00 -0.14 -1.46 0.13 -1.94 -1.54 132.00 129.41 1d4a h PRO 82 Ca -0.40 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.61 1d4a h PRO 82 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1d4a h PRO 82 CO 0.63 0.00 -0.43 0.38 -0.23 0.00 0.00 178.00 178.36 1d4a h ASP 83 N 0.00 0.33 -0.04 1.44 2.03 -1.99 -1.59 116.42 116.59 1d4a h ASP 83 Ca 0.04 -0.14 -0.03 0.00 -0.73 0.00 0.00 57.03 56.17 1d4a h ASP 83 Cb 0.16 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1d4a h ASP 83 CO -0.00 0.72 -0.08 0.40 -1.03 0.00 0.00 179.24 179.25 1d4a h ILE 84 N 0.26 1.42 -0.90 4.15 2.04 -1.74 -2.96 117.51 119.78 1d4a h ILE 84 Ca 0.02 -1.37 0.13 0.00 1.00 0.00 0.00 64.86 64.65 1d4a h ILE 84 Cb 0.86 2.23 -0.09 0.00 -0.74 0.00 0.00 36.82 39.08 1d4a h ILE 84 CO 0.07 0.37 0.51 0.58 0.00 0.00 0.00 178.15 179.68 1d4a h VAL 85 N -0.37 0.82 -0.66 1.67 2.07 -1.19 -0.51 116.25 118.08 1d4a h VAL 85 Ca 0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1d4a h VAL 85 Cb 0.64 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1d4a h VAL 85 CO 0.02 0.14 0.33 0.00 0.02 0.00 0.00 177.57 178.08 1d4a h ALA 86 N 1.53 1.33 -0.08 1.67 0.00 -1.28 -1.31 119.26 121.12 1d4a h ALA 86 Ca 0.46 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 55.01 1d4a h ALA 86 Cb 0.56 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1d4a h ALA 86 CO -0.31 0.53 -0.88 0.93 0.00 0.00 0.00 179.25 179.51 1d4a h GLU 87 N 0.93 0.69 -0.23 0.00 4.39 -1.05 -3.02 114.58 116.29 1d4a h GLU 87 Ca 0.23 -0.64 -0.03 0.00 0.34 0.00 0.00 59.36 59.26 1d4a h GLU 87 Cb 0.08 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1d4a h GLU 87 CO -0.03 1.24 0.00 1.96 -1.16 0.00 0.00 179.01 181.02 1d4a h GLN 88 N 0.44 0.33 -0.61 2.33 4.20 -0.88 -1.90 115.11 119.02 1d4a h GLN 88 Ca -0.08 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1d4a h GLN 88 Cb 1.52 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.22 1d4a h GLN 88 CO 0.17 0.36 0.02 0.87 -0.67 0.00 0.00 178.83 179.58 1d4a h LYS 89 N 0.32 1.05 -0.62 1.46 1.57 -1.16 -1.14 116.57 118.06 1d4a h LYS 89 Ca 0.08 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1d4a h LYS 89 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1d4a h LYS 89 CO 0.00 1.01 0.06 0.87 -0.57 0.00 0.00 179.45 180.82 1d4a h LYS 90 N 0.97 1.05 -0.32 3.15 1.57 -1.27 -2.73 116.57 118.99 1d4a h LYS 90 Ca 0.18 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1d4a h LYS 90 Cb 0.52 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1d4a h LYS 90 CO 0.03 0.99 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.54 1d4a h LEU 91 N 0.97 0.70 -1.02 2.94 3.38 -1.12 -2.49 115.31 118.68 1d4a h LEU 91 Ca 0.19 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1d4a h LEU 91 Cb 0.48 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1d4a h LEU 91 CO 0.02 0.95 -0.20 -0.33 0.09 0.00 0.00 178.44 178.97 1d4a h GLU 92 N 0.58 0.47 0.00 1.13 5.08 -1.06 -3.11 114.58 117.67 1d4a h GLU 92 Ca 0.07 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1d4a h GLU 92 Cb 0.79 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1d4a h GLU 92 CO 0.06 0.65 -0.30 0.00 -1.00 0.00 0.00 179.01 178.43 1d4a h ALA 93 N 1.37 0.85 -2.74 3.43 0.00 -1.36 -3.47 119.26 117.34 1d4a h ALA 93 Ca 0.07 -0.06 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 1d4a h ALA 93 Cb 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1d4a h ALA 93 CO 0.04 0.07 0.35 0.00 0.00 0.00 0.00 179.25 179.71 1d4a s ALA 94 N -3.22 3.34 -0.16 0.00 0.00 -0.95 -4.73 121.76 116.04 1d4a s ALA 94 Ca 0.05 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 1d4a s ALA 94 Cb 0.06 -3.20 -0.23 0.00 0.00 0.00 0.00 23.12 19.75 1d4a s ALA 94 CO 0.71 0.21 0.19 -0.25 0.00 0.00 0.00 175.76 176.62 1d4a n ASP 95 N 1.47 2.07 -4.17 0.00 8.00 0.18 -4.89 116.55 119.21 1d4a n ASP 95 Ca -0.02 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.32 1d4a n ASP 95 Cb 0.47 -0.76 -0.17 0.00 -0.02 0.00 0.00 41.12 40.65 1d4a n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1d4a s LEU 96 N -6.97 1.95 -0.17 0.64 2.96 -0.92 -1.61 118.68 114.56 1d4a s LEU 96 Ca -0.26 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1d4a s LEU 96 Cb 0.07 -1.21 0.01 0.00 0.50 0.00 0.00 46.19 45.56 1d4a s LEU 96 CO 0.71 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 175.03 1d4a s VAL 97 N 0.33 2.52 -0.19 1.68 1.01 -0.42 -0.61 120.40 124.72 1d4a s VAL 97 Ca -0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1d4a s VAL 97 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1d4a s VAL 97 CO 0.06 0.51 0.01 -0.63 0.00 0.00 0.00 175.10 175.05 1d4a s ILE 98 N 1.07 4.10 -0.35 2.22 1.01 0.24 -1.70 121.20 127.79 1d4a s ILE 98 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 1d4a s ILE 98 Cb -0.14 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.51 1d4a s ILE 98 CO -0.05 0.44 0.15 -0.36 0.00 0.00 0.00 174.94 175.12 1d4a s PHE 99 N 0.85 3.24 -0.29 3.97 0.08 -0.64 0.14 117.98 125.33 1d4a s PHE 99 Ca 0.01 -1.19 -0.08 0.00 0.12 0.00 0.00 56.93 55.79 1d4a s PHE 99 Cb -0.14 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1d4a s PHE 99 CO 0.02 -0.68 0.11 -1.14 -0.10 0.00 0.00 175.22 173.42 1d4a s GLN 100 N 1.48 3.35 0.07 0.44 2.00 0.02 -0.59 119.66 126.43 1d4a s GLN 100 Ca 0.00 -0.69 -0.26 0.00 -2.00 0.00 0.00 55.36 52.41 1d4a s GLN 100 Cb -0.19 -3.44 0.07 0.00 0.80 0.00 0.00 33.01 30.26 1d4a s GLN 100 CO 0.04 -0.36 0.66 -0.59 -0.50 0.00 0.00 175.29 174.55 1d4a s PHE 101 N 1.58 -0.55 0.14 1.67 -0.71 -0.91 -1.45 117.98 117.74 1d4a s PHE 101 Ca 0.04 0.56 -0.24 0.00 -1.04 0.00 0.00 56.93 56.26 1d4a s PHE 101 Cb -0.17 0.51 -0.08 0.00 -1.21 0.00 0.00 43.02 42.08 1d4a s PHE 101 CO 0.04 -0.74 0.72 -1.25 -1.34 0.00 0.00 175.22 172.66 1d4a s PRO 102 N -2.86 4.47 0.13 1.99 0.04 -1.26 -2.22 135.00 135.28 1d4a s PRO 102 Ca -0.02 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.75 1d4a s PRO 102 Cb -0.01 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 1d4a s PRO 102 CO -0.05 0.59 1.43 -1.17 0.04 0.00 0.00 177.00 177.84 1d4a s LEU 103 N -1.15 4.37 -0.11 -3.56 2.96 0.03 -4.49 118.68 116.73 1d4a s LEU 103 Ca 0.34 2.41 -0.01 0.00 -0.22 0.00 0.00 54.13 56.65 1d4a s LEU 103 Cb -0.22 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.91 1d4a s LEU 103 CO 0.24 -0.69 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.42 1d4a s GLN 104 N 1.05 1.32 -1.28 1.98 -0.21 -0.05 -4.81 119.66 117.67 1d4a s GLN 104 Ca 0.66 -0.22 -0.10 0.00 0.02 0.00 0.00 55.36 55.72 1d4a s GLN 104 Cb -0.39 -1.54 -0.00 0.00 1.00 0.00 0.00 33.01 32.08 1d4a s GLN 104 CO 0.31 -0.31 0.62 0.91 -2.12 0.00 0.00 175.29 174.70 1d4a n TRP 105 N 4.98 -1.79 -1.60 0.91 7.02 -1.26 -1.35 117.44 124.34 1d4a n TRP 105 Ca -0.11 0.62 -0.20 0.00 -1.02 0.00 0.00 57.50 56.79 1d4a n TRP 105 Cb 0.50 -3.68 -0.08 0.00 -2.42 0.00 0.00 31.31 25.62 1d4a n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1d4a n PHE 106 N -4.30 -0.09 -2.55 -5.99 3.01 -1.26 -4.87 117.46 101.41 1d4a n PHE 106 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1d4a n PHE 106 Cb 0.64 -3.38 0.00 0.00 -0.01 0.00 0.00 39.48 36.73 1d4a n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1d4a n GLY 107 N -0.39 3.38 3.79 1.37 0.00 -0.46 -4.93 105.19 107.95 1d4a n GLY 107 Ca -0.20 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 1d4a n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4a s VAL 108 N -2.49 4.34 0.56 1.61 1.01 -1.26 -0.87 120.40 123.30 1d4a s VAL 108 Ca 0.00 1.65 -0.21 0.00 0.00 0.00 0.00 61.98 63.42 1d4a s VAL 108 Cb 0.00 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1d4a s VAL 108 CO 0.00 0.22 1.23 -2.65 0.00 0.00 0.00 175.10 173.90 1d4a n PRO 109 N 0.76 1.42 -0.33 2.72 -0.02 -1.26 -4.68 135.00 133.61 1d4a n PRO 109 Ca -0.00 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1d4a n PRO 109 Cb 0.50 -2.43 0.31 0.00 -0.02 0.00 0.00 33.50 31.86 1d4a n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d4a h ALA 110 N 1.12 1.57 -0.18 3.55 0.00 -1.95 0.59 119.26 123.96 1d4a h ALA 110 Ca -0.50 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1d4a h ALA 110 Cb 1.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1d4a h ALA 110 CO 0.55 -0.15 0.01 0.97 0.00 0.00 0.00 179.25 180.63 1d4a h ILE 111 N 0.64 1.11 0.13 0.00 2.10 -1.95 0.42 117.51 119.96 1d4a h ILE 111 Ca 0.57 -0.43 -0.29 0.00 1.08 0.00 0.00 64.86 65.79 1d4a h ILE 111 Cb 0.94 0.97 0.03 0.00 -1.09 0.00 0.00 36.82 37.67 1d4a h ILE 111 CO -0.42 0.15 -1.20 0.25 -1.08 0.00 0.00 178.15 175.85 1d4a h LEU 112 N 0.26 0.83 -0.68 2.19 6.46 -1.31 -2.79 115.31 120.26 1d4a h LEU 112 Ca 0.06 -0.84 0.00 0.00 -0.12 0.00 0.00 57.88 56.99 1d4a h LEU 112 Cb 0.16 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1d4a h LEU 112 CO 0.00 1.59 0.43 0.50 -0.62 0.00 0.00 178.44 180.34 1d4a h LYS 113 N 0.19 0.91 0.00 1.25 1.63 -0.45 -1.70 116.57 118.40 1d4a h LYS 113 Ca -0.19 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.49 1d4a h LYS 113 Cb 1.89 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 1d4a h LYS 113 CO 0.23 0.62 -0.25 0.78 -3.45 0.00 0.00 179.45 177.38 1d4a h GLY 114 N 0.93 0.00 0.88 5.01 0.00 -0.97 -1.62 103.07 107.29 1d4a h GLY 114 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 1d4a h GLY 114 CO -0.05 0.00 0.01 -0.25 0.00 0.00 0.00 176.54 176.25 1d4a h TRP 115 N 0.00 0.56 -0.24 5.60 7.01 -1.04 -0.76 115.95 127.08 1d4a h TRP 115 Ca -0.00 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.90 1d4a h TRP 115 Cb 0.49 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1d4a h TRP 115 CO 0.00 0.65 0.13 0.74 -2.79 0.00 0.00 178.44 177.17 1d4a h PHE 116 N 0.31 0.33 -0.78 2.65 0.04 -1.02 0.98 116.94 119.45 1d4a h PHE 116 Ca 0.08 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1d4a h PHE 116 Cb 0.42 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1d4a h PHE 116 CO 0.03 0.29 0.51 0.93 -0.60 0.00 0.00 178.31 179.47 1d4a h GLU 117 N 0.28 1.04 0.02 1.51 5.08 -1.15 0.31 114.58 121.67 1d4a h GLU 117 Ca 0.09 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.11 1d4a h GLU 117 Cb 0.06 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1d4a h GLU 117 CO -0.01 0.70 -1.44 0.00 -1.00 0.00 0.00 179.01 177.25 1d4a h ARG 118 N 1.07 0.04 0.12 2.33 3.08 -1.09 -3.40 114.38 116.52 1d4a h ARG 118 Ca 0.29 -0.07 -0.35 0.00 0.07 0.00 0.00 59.98 59.91 1d4a h ARG 118 Cb -0.11 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1d4a h ARG 118 CO -0.06 0.78 -1.89 0.28 -1.07 0.00 0.00 179.97 178.01 1d4a h VAL 119 N 0.01 0.68 -0.10 2.04 2.07 -0.78 -3.41 116.25 116.77 1d4a h VAL 119 Ca -0.19 -2.34 -0.71 0.00 0.82 0.00 0.00 66.70 64.29 1d4a h VAL 119 Cb 1.93 2.50 -0.05 0.00 -1.52 0.00 0.00 31.29 34.15 1d4a h VAL 119 CO 0.11 0.83 3.05 0.49 0.02 0.00 0.00 177.57 182.07 1d4a n PHE 120 N -3.61 3.55 -2.88 1.57 3.01 0.09 -4.84 117.46 114.35 1d4a n PHE 120 Ca -0.31 -2.97 -0.35 0.00 1.01 0.00 0.00 57.45 54.83 1d4a n PHE 120 Cb 1.01 -2.53 -0.06 0.00 -0.01 0.00 0.00 39.48 37.88 1d4a n PHE 120 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1d4a s ILE 121 N 3.08 4.36 0.66 4.37 1.01 -1.26 -4.78 121.20 128.64 1d4a s ILE 121 Ca 0.47 1.57 -0.17 0.00 0.00 0.00 0.00 60.65 62.52 1d4a s ILE 121 Cb 0.13 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1d4a s ILE 121 CO -0.08 0.02 0.68 0.61 0.00 0.00 0.00 174.94 176.17 1d4a n GLY 122 N 0.23 -1.11 4.65 6.18 0.00 -1.26 -0.81 105.19 113.06 1d4a n GLY 122 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1d4a n GLY 122 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1d4a n GLU 123 N -0.79 0.00 0.03 1.61 4.07 0.21 -4.54 120.64 121.24 1d4a n GLU 123 Ca 0.12 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.11 1d4a n GLU 123 Cb 0.49 -0.03 -0.08 0.00 -0.06 0.00 0.00 31.44 31.76 1d4a n GLU 123 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1d4a h PHE 124 N 0.00 -0.17 0.00 4.31 3.57 -1.84 -3.40 116.94 119.41 1d4a h PHE 124 Ca 0.00 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 1d4a h PHE 124 Cb 0.00 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1d4a h PHE 124 CO 0.00 0.29 -2.14 0.00 -2.23 0.00 0.00 178.31 174.23 1d4a n ALA 125 N -2.59 2.19 -3.07 2.41 0.00 0.01 -4.81 120.51 114.66 1d4a n ALA 125 Ca -0.07 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.39 1d4a n ALA 125 Cb 0.26 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 1d4a n ALA 125 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1d4a s TYR 126 N -3.04 0.23 -0.11 0.00 1.13 -1.26 -4.23 117.35 110.08 1d4a s TYR 126 Ca -0.09 -0.59 -0.05 0.00 -1.41 0.00 0.00 57.07 54.93 1d4a s TYR 126 Cb 0.10 0.17 0.05 0.00 -1.10 0.00 0.00 41.96 41.18 1d4a s TYR 126 CO 0.87 -0.88 0.26 0.99 -2.51 0.00 0.00 175.55 174.27 1d4a s THR 127 N -3.96 -0.07 0.16 -3.49 2.01 -1.26 0.66 115.64 109.69 1d4a s THR 127 Ca 0.17 0.16 0.35 0.00 0.31 0.00 0.00 61.69 62.67 1d4a s THR 127 Cb 0.00 -0.40 0.38 0.00 0.01 0.00 0.00 72.50 72.49 1d4a s THR 127 CO 0.03 0.06 2.03 1.88 -0.69 0.00 0.00 174.62 177.93 1d4a h TYR 128 N 7.29 0.00 -0.00 4.92 0.05 -2.00 -1.33 116.97 125.90 1d4a h TYR 128 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1d4a h TYR 128 Cb 1.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1d4a h TYR 128 CO 0.35 0.00 -0.55 0.00 -1.05 0.00 0.00 178.16 176.91 1d4a n ALA 129 N -2.02 3.69 -3.10 3.88 0.00 -1.26 -4.38 120.51 117.32 1d4a n ALA 129 Ca -0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 1d4a n ALA 129 Cb 0.21 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1d4a n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d4a n ALA 130 N -1.35 1.47 -1.55 0.00 0.00 -0.55 -5.11 120.51 113.42 1d4a n ALA 130 Ca 0.06 -3.01 -0.30 0.00 0.00 0.00 0.00 53.44 50.19 1d4a n ALA 130 Cb 0.34 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.90 1d4a n ALA 130 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1d4a s MET 131 N -1.71 2.29 2.55 0.00 1.00 -0.90 -2.40 119.30 120.13 1d4a s MET 131 Ca 0.36 0.73 0.00 0.00 0.00 0.00 0.00 55.69 56.78 1d4a s MET 131 Cb 0.31 -1.93 0.00 0.00 0.00 0.00 0.00 34.83 33.21 1d4a s MET 131 CO -0.08 -1.50 0.00 0.66 0.00 0.00 0.00 175.02 174.10 1d4a n TYR 132 N -3.36 0.00 0.16 -0.03 4.01 -0.48 -1.95 117.16 115.50 1d4a n TYR 132 Ca 0.07 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1d4a n TYR 132 Cb 0.55 0.00 0.48 0.00 -0.31 0.00 0.00 39.34 40.07 1d4a n TYR 132 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1d4a n ASP 133 N 3.91 0.46 -1.13 7.72 5.68 -1.26 0.16 116.55 132.08 1d4a n ASP 133 Ca 0.00 0.67 0.12 0.00 -0.50 0.00 0.00 54.79 55.08 1d4a n ASP 133 Cb 0.00 -0.70 0.25 0.00 -1.14 0.00 0.00 41.12 39.53 1d4a n ASP 133 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1d4a n LYS 134 N -2.15 2.46 -0.93 0.11 5.02 -0.82 -4.83 118.16 117.03 1d4a n LYS 134 Ca -0.01 -2.23 -0.29 0.00 -2.02 0.00 0.00 58.31 53.76 1d4a n LYS 134 Cb 0.14 -1.51 0.18 0.00 -0.02 0.00 0.00 35.03 33.82 1d4a n LYS 134 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1d4a s GLY 135 N -1.40 1.61 0.39 0.72 0.00 0.12 -4.67 107.32 104.09 1d4a s GLY 135 Ca 0.40 0.01 0.12 0.00 0.00 0.00 0.00 44.72 45.25 1d4a s GLY 135 CO 0.31 0.56 1.90 -2.55 0.00 0.00 0.00 173.10 173.32 1d4a h PRO 136 N -1.93 0.55 -0.92 2.90 0.11 -1.68 -2.40 132.00 128.62 1d4a h PRO 136 Ca -0.52 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.28 1d4a h PRO 136 Cb 1.30 -0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 1d4a h PRO 136 CO 0.51 0.36 0.35 1.19 -0.21 0.00 0.00 178.00 180.20 1d4a n PHE 137 N -4.51 2.02 -0.12 0.65 3.72 -0.25 -4.54 117.46 114.43 1d4a n PHE 137 Ca 0.15 -1.21 0.18 0.00 -0.05 0.00 0.00 57.45 56.51 1d4a n PHE 137 Cb 0.47 -0.66 0.57 0.00 -0.94 0.00 0.00 39.48 38.92 1d4a n PHE 137 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1d4a h ARG 138 N 1.28 0.27 -0.01 -1.08 3.08 -1.44 -1.06 114.38 115.42 1d4a h ARG 138 Ca 0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1d4a h ARG 138 Cb 2.14 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.13 1d4a h ARG 138 CO 0.68 0.18 -0.02 0.43 -1.07 0.00 0.00 179.97 180.17 1d4a n SER 139 N -4.44 0.77 -4.80 7.04 7.64 -1.26 -4.67 113.62 113.91 1d4a n SER 139 Ca 0.13 -1.19 -0.22 0.00 1.01 0.00 0.00 58.87 58.60 1d4a n SER 139 Cb 0.58 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 1d4a n SER 139 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1d4a s LYS 140 N -2.06 2.45 0.04 1.43 1.02 -0.41 -4.99 119.74 117.22 1d4a s LYS 140 Ca 0.41 -1.57 0.05 0.00 0.02 0.00 0.00 55.97 54.87 1d4a s LYS 140 Cb 0.21 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1d4a s LYS 140 CO 0.37 -0.04 -0.13 0.15 -0.92 0.00 0.00 175.35 174.78 1d4a s LYS 141 N -3.97 0.90 0.10 1.68 1.02 -0.63 -2.02 119.74 116.81 1d4a s LYS 141 Ca 0.42 -0.72 0.06 0.00 0.02 0.00 0.00 55.97 55.75 1d4a s LYS 141 Cb -0.02 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1d4a s LYS 141 CO 0.25 0.22 -0.16 0.00 -0.92 0.00 0.00 175.35 174.74 1d4a s ALA 142 N -0.83 1.45 -0.06 5.17 0.00 0.06 -1.31 121.76 126.25 1d4a s ALA 142 Ca 0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 1d4a s ALA 142 Cb -0.08 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1d4a s ALA 142 CO 0.01 0.20 0.15 0.08 0.00 0.00 0.00 175.76 176.20 1d4a s VAL 143 N -1.53 -0.02 -0.13 0.00 1.01 -0.69 -0.83 120.40 118.21 1d4a s VAL 143 Ca 0.04 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1d4a s VAL 143 Cb -0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1d4a s VAL 143 CO 0.03 0.04 0.25 -0.76 0.00 0.00 0.00 175.10 174.66 1d4a s LEU 144 N 0.63 4.31 -0.28 3.92 1.43 -1.26 -1.63 118.68 125.80 1d4a s LEU 144 Ca -0.05 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1d4a s LEU 144 Cb -0.06 -2.29 0.07 0.00 0.03 0.00 0.00 46.19 43.94 1d4a s LEU 144 CO -0.03 0.23 -0.04 -0.55 0.23 0.00 0.00 176.35 176.19 1d4a s SER 145 N -0.17 4.40 0.09 2.29 0.15 0.24 -0.13 113.70 120.56 1d4a s SER 145 Ca 0.16 -1.60 0.07 0.00 0.70 0.00 0.00 55.95 55.28 1d4a s SER 145 Cb -0.13 -1.45 -0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1d4a s SER 145 CO 0.05 -0.27 -0.14 -0.63 1.20 0.00 0.00 173.24 173.44 1d4a s ILE 146 N 1.13 3.08 0.04 6.45 1.01 0.08 -2.14 121.20 130.85 1d4a s ILE 146 Ca -0.01 -1.29 0.09 0.00 0.00 0.00 0.00 60.65 59.44 1d4a s ILE 146 Cb -0.19 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1d4a s ILE 146 CO -0.07 0.18 -0.24 0.42 0.00 0.00 0.00 174.94 175.22 1d4a s THR 147 N -1.11 2.31 0.12 2.92 -4.23 -0.94 -1.09 115.64 113.63 1d4a s THR 147 Ca 0.18 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.42 1d4a s THR 147 Cb -0.11 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1d4a s THR 147 CO 0.10 0.37 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.53 1d4a s THR 148 N -0.83 1.24 0.00 3.99 2.01 -0.17 -0.79 115.64 121.10 1d4a s THR 148 Ca 0.12 -1.77 -0.08 0.00 0.31 0.00 0.00 61.69 60.26 1d4a s THR 148 Cb -0.10 -1.56 -0.30 0.00 0.01 0.00 0.00 72.50 70.54 1d4a s THR 148 CO 0.03 -0.50 0.86 1.23 -0.69 0.00 0.00 174.62 175.54 1d4a h GLY 149 N 3.37 0.41 -1.71 4.40 0.00 -1.89 -0.70 103.07 106.96 1d4a h GLY 149 Ca -0.39 -1.06 -0.48 0.00 0.00 0.00 0.00 47.33 45.41 1d4a h GLY 149 CO 0.53 0.93 0.38 -0.32 0.00 0.00 0.00 176.54 178.06 1d4a s GLY 150 N -4.90 2.04 0.86 4.60 0.00 -1.26 -3.81 107.32 104.85 1d4a s GLY 150 Ca -0.11 0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 1d4a s GLY 150 CO 0.88 0.47 1.09 -1.35 0.00 0.00 0.00 173.10 174.19 1d4a s SER 151 N -3.13 3.84 0.36 1.64 1.04 -1.26 -1.43 113.70 114.76 1d4a s SER 151 Ca 0.59 1.41 0.05 0.00 0.48 0.00 0.00 55.95 58.48 1d4a s SER 151 Cb -0.11 -2.10 0.68 0.00 0.10 0.00 0.00 66.02 64.59 1d4a s SER 151 CO 0.34 -2.40 1.93 1.23 0.98 0.00 0.00 173.24 175.32 1d4a h GLY 152 N -1.38 0.56 1.68 7.32 0.00 -1.97 -2.65 103.07 106.63 1d4a h GLY 152 Ca -0.49 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 1d4a h GLY 152 CO 0.56 0.28 -0.11 1.48 0.00 0.00 0.00 176.54 178.75 1d4a h SER 153 N 0.51 0.38 0.14 0.19 4.64 -1.97 -1.75 113.55 115.69 1d4a h SER 153 Ca 0.12 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1d4a h SER 153 Cb 0.21 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1d4a h SER 153 CO -0.00 0.52 -0.12 0.24 -0.87 0.00 0.00 176.83 176.60 1d4a h MET 154 N 0.37 0.00 -0.69 4.77 2.07 -1.84 -2.36 114.93 117.24 1d4a h MET 154 Ca 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1d4a h MET 154 Cb 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.15 1d4a h MET 154 CO 0.02 0.12 0.00 0.66 1.07 0.00 0.00 176.91 178.78 1d4a n TYR 155 N -4.29 1.11 -2.04 -0.22 4.01 -0.70 -1.55 117.16 113.47 1d4a n TYR 155 Ca -0.03 -0.53 -0.28 0.00 -0.16 0.00 0.00 57.90 56.90 1d4a n TYR 155 Cb 0.19 -0.07 0.15 0.00 -0.31 0.00 0.00 39.34 39.30 1d4a n TYR 155 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1d4a s SER 156 N -0.98 3.66 0.54 7.72 1.04 -0.89 -1.58 113.70 123.21 1d4a s SER 156 Ca 0.49 0.28 0.23 0.00 0.48 0.00 0.00 55.95 57.42 1d4a s SER 156 Cb 0.27 -0.50 1.43 0.00 0.10 0.00 0.00 66.02 67.32 1d4a s SER 156 CO 0.30 -2.38 2.10 -0.07 0.98 0.00 0.00 173.24 174.17 1d4a h LEU 157 N -1.30 0.00 -0.76 2.42 3.38 -1.87 -2.18 115.31 115.00 1d4a h LEU 157 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1d4a h LEU 157 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1d4a h LEU 157 CO 0.45 0.00 -0.60 0.00 0.09 0.00 0.00 178.44 178.38 1d4a n GLN 158 N -4.29 0.92 -1.92 1.13 1.13 -1.26 -4.66 117.38 108.43 1d4a n GLN 158 Ca 0.02 -0.76 -0.32 0.00 -1.94 0.00 0.00 57.00 54.01 1d4a n GLN 158 Cb 0.30 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 29.19 1d4a n GLN 158 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1d4a s GLY 159 N -2.60 1.90 0.39 1.08 0.00 -0.82 -4.96 107.32 102.31 1d4a s GLY 159 Ca 0.16 0.19 0.12 0.00 0.00 0.00 0.00 44.72 45.19 1d4a s GLY 159 CO 0.64 0.49 1.89 0.16 0.00 0.00 0.00 173.10 176.28 1d4a h ILE 160 N 0.03 0.80 0.00 0.90 3.07 -1.81 -1.60 117.51 118.91 1d4a h ILE 160 Ca -0.45 -0.19 -0.02 0.00 1.55 0.00 0.00 64.86 65.75 1d4a h ILE 160 Cb 1.21 0.19 -0.00 0.00 -0.27 0.00 0.00 36.82 37.95 1d4a h ILE 160 CO 0.58 0.10 -0.08 0.45 -1.05 0.00 0.00 178.15 178.15 1d4a h HIS 161 N 0.56 0.00 0.00 0.16 3.86 -1.63 -3.50 115.15 114.60 1d4a h HIS 161 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1d4a h HIS 161 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1d4a h HIS 161 CO -0.00 0.08 0.00 0.41 0.86 0.00 0.00 177.93 179.28 1d4a n GLY 162 N 0.64 -0.29 3.68 2.45 0.00 -0.60 -4.94 105.19 106.12 1d4a n GLY 162 Ca 0.02 -1.84 -0.46 0.00 0.00 0.00 0.00 46.02 43.74 1d4a n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d4a n ASP 163 N -0.63 3.62 0.10 1.61 2.03 -1.24 -4.14 116.55 117.91 1d4a n ASP 163 Ca 0.00 0.97 0.04 0.00 0.52 0.00 0.00 54.79 56.33 1d4a n ASP 163 Cb 0.00 -1.43 0.46 0.00 -0.72 0.00 0.00 41.12 39.43 1d4a n ASP 163 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1d4a h MET 164 N 8.98 0.31 -0.92 -0.67 1.85 -1.58 -2.36 114.93 120.53 1d4a h MET 164 Ca -0.48 -0.04 0.10 0.00 -0.61 0.00 0.00 59.70 58.68 1d4a h MET 164 Cb 1.26 -0.06 -0.07 0.00 0.43 0.00 0.00 31.60 33.16 1d4a h MET 164 CO 0.94 0.29 0.59 -0.91 -0.40 0.00 0.00 176.91 177.42 1d4a h ASN 165 N 0.31 0.83 -0.27 1.39 2.35 -1.90 -0.72 115.58 117.57 1d4a h ASN 165 Ca 0.08 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1d4a h ASN 165 Cb 0.12 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1d4a h ASN 165 CO -0.00 0.48 -0.23 0.58 -1.65 0.00 0.00 177.43 176.60 1d4a h VAL 166 N 0.91 1.27 -0.54 2.81 2.07 -1.82 -2.37 116.25 118.58 1d4a h VAL 166 Ca 0.44 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 1d4a h VAL 166 Cb 0.44 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1d4a h VAL 166 CO -0.20 0.44 -0.09 0.40 0.02 0.00 0.00 177.57 178.15 1d4a h ILE 167 N 0.65 1.27 -0.00 4.57 2.04 -1.17 -3.15 117.51 121.71 1d4a h ILE 167 Ca 0.09 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.59 1d4a h ILE 167 Cb 0.73 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1d4a h ILE 167 CO 0.06 0.44 -0.53 -0.07 0.00 0.00 0.00 178.15 178.05 1d4a h LEU 168 N 0.90 0.01 -0.28 1.44 3.38 -1.05 -3.37 115.31 116.34 1d4a h LEU 168 Ca 0.14 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1d4a h LEU 168 Cb 0.66 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 1d4a h LEU 168 CO 0.05 0.53 -0.51 -0.25 0.09 0.00 0.00 178.44 178.35 1d4a h TRP 169 N 0.01 -1.53 -0.92 1.13 2.91 -1.38 -1.09 115.95 115.07 1d4a h TRP 169 Ca -0.00 0.07 0.23 0.00 1.13 0.00 0.00 58.89 60.31 1d4a h TRP 169 Cb 0.93 0.70 -0.06 0.00 -0.51 0.00 0.00 29.16 30.23 1d4a h TRP 169 CO 0.00 -0.50 0.62 -1.35 -1.03 0.00 0.00 178.44 176.18 1d4a h PRO 170 N -0.46 0.27 0.00 2.65 0.11 -1.75 0.97 132.00 133.78 1d4a h PRO 170 Ca 0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1d4a h PRO 170 Cb 0.63 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1d4a h PRO 170 CO -0.51 0.18 -0.17 0.82 -0.21 0.00 0.00 178.00 178.11 1d4a h ILE 171 N 0.28 0.53 -0.69 4.15 2.04 -1.70 -2.55 117.51 119.57 1d4a h ILE 171 Ca 0.47 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 1d4a h ILE 171 Cb 1.39 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 1d4a h ILE 171 CO -0.14 0.18 0.14 1.56 0.00 0.00 0.00 178.15 179.89 1d4a h GLN 172 N -1.00 1.12 0.00 2.37 4.20 -1.04 -1.52 115.11 119.24 1d4a h GLN 172 Ca -0.03 -0.28 -0.22 0.00 0.06 0.00 0.00 58.65 58.18 1d4a h GLN 172 Cb 0.43 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1d4a h GLN 172 CO -0.02 1.01 -1.26 0.45 -0.67 0.00 0.00 178.83 178.34 1d4a n SER 173 N -4.23 1.86 0.24 1.46 2.88 0.32 -0.53 113.62 115.61 1d4a n SER 173 Ca 0.05 0.44 0.11 0.00 -1.33 0.00 0.00 58.87 58.13 1d4a n SER 173 Cb 0.28 -0.95 0.56 0.00 -0.75 0.00 0.00 64.21 63.34 1d4a n SER 173 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1d4a h GLY 174 N -1.00 0.00 0.00 0.46 0.00 -1.42 -1.55 103.07 99.56 1d4a h GLY 174 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1d4a h GLY 174 CO -0.20 0.00 -0.34 1.39 0.00 0.00 0.00 176.54 177.39 1d4a n ILE 175 N -3.49 1.30 0.23 2.60 5.41 -0.86 -4.55 119.36 120.00 1d4a n ILE 175 Ca -0.01 0.31 -0.13 0.00 1.00 0.00 0.00 62.75 63.93 1d4a n ILE 175 Cb 0.36 -1.84 -0.07 0.00 -0.71 0.00 0.00 39.64 37.38 1d4a n ILE 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1d4a h LEU 176 N -0.34 -0.53 -1.18 1.39 3.38 -1.37 -3.16 115.31 113.50 1d4a h LEU 176 Ca 0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1d4a h LEU 176 Cb 0.34 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1d4a h LEU 176 CO 0.00 -0.14 -0.38 -0.74 0.09 0.00 0.00 178.44 177.27 1d4a h HIS 177 N -1.01 0.00 -0.63 1.13 2.76 -0.83 -2.75 115.15 113.82 1d4a h HIS 177 Ca -0.06 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1d4a h HIS 177 Cb 0.58 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.51 1d4a h HIS 177 CO 0.01 0.38 0.42 0.35 -1.30 0.00 0.00 177.93 177.79 1d4a h PHE 178 N 0.00 0.69 -0.10 5.26 3.57 -1.33 -1.49 116.94 123.54 1d4a h PHE 178 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1d4a h PHE 178 Cb 0.75 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1d4a h PHE 178 CO 0.00 0.39 0.00 0.00 -2.23 0.00 0.00 178.31 176.47 1d4a n GLY 180 N 1.02 2.98 3.61 0.00 0.00 -0.56 -1.09 105.19 111.15 1d4a n GLY 180 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1d4a n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d4a n PHE 181 N -1.20 1.46 -3.07 1.61 3.72 -1.06 -3.40 117.46 115.52 1d4a n PHE 181 Ca 0.00 0.66 -0.41 0.00 -0.05 0.00 0.00 57.45 57.64 1d4a n PHE 181 Cb 0.00 -2.29 -0.06 0.00 -0.94 0.00 0.00 39.48 36.19 1d4a n PHE 181 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1d4a s GLN 182 N -1.21 3.87 -0.26 -1.08 -0.21 -0.86 -4.32 119.66 115.59 1d4a s GLN 182 Ca 0.62 0.32 -0.14 0.00 0.02 0.00 0.00 55.36 56.18 1d4a s GLN 182 Cb -0.71 -3.75 -0.04 0.00 1.00 0.00 0.00 33.01 29.51 1d4a s GLN 182 CO 0.57 -0.64 0.32 0.08 -2.12 0.00 0.00 175.29 173.51 1d4a s VAL 183 N 2.73 5.22 0.50 1.09 1.01 -1.26 -0.76 120.40 128.93 1d4a s VAL 183 Ca 0.27 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1d4a s VAL 183 Cb -0.15 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1d4a s VAL 183 CO 0.13 0.21 0.79 -0.76 0.00 0.00 0.00 175.10 175.47 1d4a s LEU 184 N 1.80 3.54 0.21 3.92 1.43 -0.01 -0.87 118.68 128.71 1d4a s LEU 184 Ca 0.13 0.79 -0.32 0.00 -1.03 0.00 0.00 54.13 53.70 1d4a s LEU 184 Cb -0.15 -3.70 -0.14 0.00 0.03 0.00 0.00 46.19 42.23 1d4a s LEU 184 CO 0.09 -0.71 1.38 -0.62 0.23 0.00 0.00 176.35 176.73 1d4a n GLU 185 N -2.31 1.87 -2.27 1.70 1.02 -1.26 -4.61 120.64 114.78 1d4a n GLU 185 Ca 0.01 0.67 -0.36 0.00 -0.02 0.00 0.00 57.16 57.46 1d4a n GLU 185 Cb 0.56 -2.31 -0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1d4a n GLU 185 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1d4a s PRO 186 N -0.23 3.55 -0.49 3.49 0.04 -1.26 -4.72 135.00 135.38 1d4a s PRO 186 Ca 0.71 1.67 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 1d4a s PRO 186 Cb -0.70 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 31.72 1d4a s PRO 186 CO 0.49 -0.70 0.57 -1.14 0.04 0.00 0.00 177.00 176.25 1d4a s GLN 187 N -3.02 3.10 -0.30 4.56 2.00 0.81 -4.99 119.66 121.82 1d4a s GLN 187 Ca 0.69 -0.94 -0.09 0.00 -2.00 0.00 0.00 55.36 53.01 1d4a s GLN 187 Cb -0.26 -4.09 -0.01 0.00 0.80 0.00 0.00 33.01 29.46 1d4a s GLN 187 CO 0.30 -1.15 0.13 -0.51 -0.50 0.00 0.00 175.29 173.56 1d4a s LEU 188 N 2.41 3.95 -0.36 3.68 1.43 -1.26 -0.74 118.68 127.79 1d4a s LEU 188 Ca 0.13 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1d4a s LEU 188 Cb -0.20 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.14 1d4a s LEU 188 CO 0.11 -0.16 0.11 0.42 0.23 0.00 0.00 176.35 177.06 1d4a s THR 189 N 1.60 2.85 0.54 5.49 -4.23 -0.25 -5.01 115.64 116.64 1d4a s THR 189 Ca 0.05 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 1d4a s THR 189 Cb -0.17 -2.93 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 1d4a s THR 189 CO 0.05 -0.54 1.01 -0.31 -0.54 0.00 0.00 174.62 174.29 1d4a s TYR 190 N 1.08 3.37 -0.69 3.99 2.02 -1.26 -1.00 117.35 124.85 1d4a s TYR 190 Ca 0.06 1.46 -0.12 0.00 -0.37 0.00 0.00 57.07 58.10 1d4a s TYR 190 Cb -0.21 -2.83 0.02 0.00 -0.40 0.00 0.00 41.96 38.54 1d4a s TYR 190 CO -0.05 -0.57 0.23 -1.13 -1.57 0.00 0.00 175.55 172.46 1d4a n SER 191 N -1.81 -1.20 0.28 2.29 3.41 -0.31 -4.78 113.62 111.50 1d4a n SER 191 Ca 0.07 -0.67 0.14 0.00 -0.26 0.00 0.00 58.87 58.15 1d4a n SER 191 Cb 0.54 -0.81 0.82 0.00 -0.26 0.00 0.00 64.21 64.50 1d4a n SER 191 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1d4a h ILE 192 N -0.06 0.55 0.00 -1.33 6.09 -1.64 -0.69 117.51 120.43 1d4a h ILE 192 Ca -0.36 -0.27 -0.01 0.00 -1.37 0.00 0.00 64.86 62.85 1d4a h ILE 192 Cb 0.72 1.17 -0.00 0.00 0.47 0.00 0.00 36.82 39.18 1d4a h ILE 192 CO 0.30 0.06 -0.06 1.23 -3.07 0.00 0.00 178.15 176.61 1d4a h GLY 193 N 0.42 0.00 -2.12 8.18 0.00 -1.85 -2.93 103.07 104.76 1d4a h GLY 193 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1d4a h GLY 193 CO 0.01 0.00 0.02 1.42 0.00 0.00 0.00 176.54 177.99 1d4a n HIS 194 N -3.18 1.26 -4.00 5.60 8.25 -0.27 -4.98 115.22 117.90 1d4a n HIS 194 Ca 0.01 -1.39 -0.35 0.00 -0.26 0.00 0.00 57.72 55.73 1d4a n HIS 194 Cb 0.34 -0.48 -0.13 0.00 1.12 0.00 0.00 29.99 30.84 1d4a n HIS 194 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1d4a s THR 195 N -3.12 3.88 0.60 1.59 2.01 -1.11 -5.07 115.64 114.41 1d4a s THR 195 Ca 0.45 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 1d4a s THR 195 Cb 0.39 -2.76 -0.07 0.00 0.01 0.00 0.00 72.50 70.07 1d4a s THR 195 CO 0.04 0.41 0.70 -2.65 -0.69 0.00 0.00 174.62 172.43 1d4a n PRO 196 N 4.44 0.63 -0.34 4.92 -0.02 -1.26 -4.71 135.00 138.66 1d4a n PRO 196 Ca -0.17 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.65 1d4a n PRO 196 Cb 0.52 -1.89 0.27 0.00 -0.02 0.00 0.00 33.50 32.37 1d4a n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d4a h ALA 197 N 0.26 1.52 -0.05 3.55 0.00 -1.99 -0.77 119.26 121.79 1d4a h ALA 197 Ca -0.47 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1d4a h ALA 197 Cb 1.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1d4a h ALA 197 CO 0.48 0.06 -0.48 0.38 0.00 0.00 0.00 179.25 179.68 1d4a h ASP 198 N 0.83 0.13 0.14 0.00 2.03 -2.01 -2.96 116.42 114.58 1d4a h ASP 198 Ca 0.52 -0.06 -0.19 0.00 -0.73 0.00 0.00 57.03 56.57 1d4a h ASP 198 Cb 0.68 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1d4a h ASP 198 CO -0.33 0.59 -0.71 0.00 -1.03 0.00 0.00 179.24 177.76 1d4a h ALA 199 N 1.41 0.56 -0.21 4.15 0.00 -1.50 -3.00 119.26 120.67 1d4a h ALA 199 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1d4a h ALA 199 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1d4a h ALA 199 CO 0.07 0.74 -0.17 0.00 0.00 0.00 0.00 179.25 179.88 1d4a h ARG 200 N 0.35 0.36 -0.62 0.00 3.08 -1.25 -0.77 114.38 115.53 1d4a h ARG 200 Ca -0.03 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1d4a h ARG 200 Cb 1.29 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1d4a h ARG 200 CO 0.13 0.53 0.18 0.82 -1.07 0.00 0.00 179.97 180.56 1d4a h ILE 201 N 0.33 1.25 -0.13 2.04 1.08 -1.48 -2.02 117.51 118.58 1d4a h ILE 201 Ca 0.06 -0.86 -0.11 0.00 -0.39 0.00 0.00 64.86 63.56 1d4a h ILE 201 Cb 0.50 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1d4a h ILE 201 CO 0.03 0.33 -0.40 1.56 -0.69 0.00 0.00 178.15 178.98 1d4a h GLN 202 N 0.89 0.29 -0.62 2.37 1.08 -1.24 -2.22 115.11 115.66 1d4a h GLN 202 Ca 0.20 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1d4a h GLN 202 Cb 0.31 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1d4a h GLN 202 CO -0.00 0.65 0.12 0.82 -0.95 0.00 0.00 178.83 179.47 1d4a h ILE 203 N 0.24 1.26 -0.37 2.54 2.04 -0.76 -0.54 117.51 121.93 1d4a h ILE 203 Ca 0.02 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1d4a h ILE 203 Cb 0.82 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1d4a h ILE 203 CO 0.06 0.36 0.02 -0.07 0.00 0.00 0.00 178.15 178.52 1d4a h LEU 204 N 0.92 0.62 -1.00 1.44 3.38 -1.20 -2.01 115.31 117.46 1d4a h LEU 204 Ca 0.19 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1d4a h LEU 204 Cb 0.40 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1d4a h LEU 204 CO 0.01 0.76 0.35 -0.33 0.09 0.00 0.00 178.44 179.32 1d4a h GLU 205 N 0.47 1.05 -0.35 1.13 4.39 -1.23 -1.04 114.58 119.00 1d4a h GLU 205 Ca 0.11 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1d4a h GLU 205 Cb 0.43 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1d4a h GLU 205 CO 0.02 0.82 -0.13 0.78 -1.16 0.00 0.00 179.01 179.34 1d4a h GLY 206 N 1.10 0.67 0.85 -3.84 0.00 -0.91 0.72 103.07 101.66 1d4a h GLY 206 Ca 0.25 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1d4a h GLY 206 CO -0.03 0.45 -0.17 -0.25 0.00 0.00 0.00 176.54 176.54 1d4a h TRP 207 N 0.57 0.61 -0.61 5.60 -0.00 -0.84 -1.25 115.95 120.02 1d4a h TRP 207 Ca 0.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.89 58.82 1d4a h TRP 207 Cb 0.55 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 29.54 1d4a h TRP 207 CO 0.02 0.83 0.36 0.87 -0.00 0.00 0.00 178.44 180.52 1d4a h LYS 208 N 0.22 0.84 -0.76 2.65 1.57 -0.98 -1.93 116.57 118.17 1d4a h LYS 208 Ca 0.04 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1d4a h LYS 208 Cb 0.70 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1d4a h LYS 208 CO 0.05 0.61 0.40 -0.22 -0.57 0.00 0.00 179.45 179.71 1d4a h LYS 209 N 0.83 1.08 -0.48 3.15 3.11 -0.74 -2.82 116.57 120.69 1d4a h LYS 209 Ca 0.22 -0.14 -0.09 0.00 -2.81 0.00 0.00 60.65 57.84 1d4a h LYS 209 Cb -0.01 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 31.00 1d4a h LYS 209 CO -0.04 0.81 -0.04 -0.09 -2.81 0.00 0.00 179.45 177.28 1d4a h ARG 210 N 1.06 0.84 0.00 1.90 2.43 -0.87 -2.78 114.38 116.96 1d4a h ARG 210 Ca 0.27 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1d4a h ARG 210 Cb 0.06 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1d4a h ARG 210 CO -0.04 0.87 0.00 -0.07 -1.51 0.00 0.00 179.97 179.22 1d4a h LEU 211 N 0.77 0.00 -2.25 3.80 3.38 -1.11 -2.50 115.31 117.39 1d4a h LEU 211 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1d4a h LEU 211 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1d4a h LEU 211 CO 0.03 0.00 0.01 -0.33 0.09 0.00 0.00 178.44 178.24 1d4a h GLU 212 N 0.00 0.00 0.00 1.13 5.08 -1.32 -3.07 114.58 116.40 1d4a h GLU 212 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1d4a h GLU 212 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1d4a h GLU 212 CO 0.00 0.00 -0.40 0.09 -1.00 0.00 0.00 179.01 177.70 1d4a n ASN 213 N -4.16 0.85 -0.29 1.42 3.02 -1.03 -4.91 115.26 110.16 1d4a n ASN 213 Ca -0.03 -2.40 0.11 0.00 -0.03 0.00 0.00 54.58 52.22 1d4a n ASN 213 Cb 0.10 -0.29 0.27 0.00 -0.61 0.00 0.00 39.78 39.25 1d4a n ASN 213 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1d4a h ILE 214 N 4.68 0.54 0.00 2.41 6.09 -1.36 -1.73 117.51 128.14 1d4a h ILE 214 Ca -0.02 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1d4a h ILE 214 Cb 1.31 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.67 1d4a h ILE 214 CO 0.01 0.08 -0.02 -0.25 -3.07 0.00 0.00 178.15 174.90 1d4a h TRP 215 N 0.44 0.00 -0.02 2.19 2.91 -1.90 -2.65 115.95 116.92 1d4a h TRP 215 Ca 0.51 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.53 1d4a h TRP 215 Cb 0.91 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.56 1d4a h TRP 215 CO -0.14 0.02 -0.17 -0.25 -1.03 0.00 0.00 178.44 176.87 1d4a n ASP 216 N -3.25 1.69 -4.77 2.65 8.00 -0.65 -4.96 116.55 115.26 1d4a n ASP 216 Ca -0.02 -1.39 -0.35 0.00 0.71 0.00 0.00 54.79 53.74 1d4a n ASP 216 Cb 0.15 0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1d4a n ASP 216 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1d4a s GLU 217 N -2.25 3.18 0.13 -1.24 2.02 -1.00 -5.00 118.70 114.54 1d4a s GLU 217 Ca 0.28 1.66 -0.27 0.00 0.02 0.00 0.00 54.97 56.66 1d4a s GLU 217 Cb 0.20 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 32.38 1d4a s GLU 217 CO 0.43 -1.00 0.86 -0.08 0.02 0.00 0.00 175.26 175.49 1d4a s THR 218 N -1.76 4.44 0.72 3.63 -1.32 -1.26 -5.04 115.64 115.04 1d4a s THR 218 Ca 0.74 1.87 -0.11 0.00 -1.21 0.00 0.00 61.69 62.97 1d4a s THR 218 Cb -0.26 -4.22 0.02 0.00 -1.51 0.00 0.00 72.50 66.53 1d4a s THR 218 CO 0.30 0.42 1.09 -2.16 -2.21 0.00 0.00 174.62 172.06 1d4a s PRO 219 N -0.55 2.72 0.71 7.08 0.04 -1.26 -4.68 135.00 139.05 1d4a s PRO 219 Ca 0.41 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 1d4a s PRO 219 Cb -0.23 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1d4a s PRO 219 CO 0.28 -1.15 1.18 -0.51 0.04 0.00 0.00 177.00 176.83 1d4a s LEU 220 N -5.46 3.34 -0.05 -3.56 1.43 -0.05 -4.30 118.68 110.03 1d4a s LEU 220 Ca 0.59 2.26 -0.17 0.00 -1.03 0.00 0.00 54.13 55.77 1d4a s LEU 220 Cb -0.12 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1d4a s LEU 220 CO 0.53 -2.08 0.48 -0.47 0.23 0.00 0.00 176.35 175.03 1d4a s TYR 221 N -2.07 3.63 0.01 0.29 5.04 -1.26 -4.80 117.35 118.19 1d4a s TYR 221 Ca 0.72 0.99 0.02 0.00 -2.44 0.00 0.00 57.07 56.36 1d4a s TYR 221 Cb -0.27 -2.47 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 1d4a s TYR 221 CO 0.44 0.38 -0.06 -0.06 -1.34 0.00 0.00 175.55 174.91 1d4a s PHE 222 N -0.18 0.51 0.25 4.97 0.08 -1.26 -4.90 117.98 117.45 1d4a s PHE 222 Ca 0.26 -0.20 -0.31 0.00 0.12 0.00 0.00 56.93 56.80 1d4a s PHE 222 Cb -0.16 -0.32 -0.12 0.00 -0.57 0.00 0.00 43.02 41.85 1d4a s PHE 222 CO 0.13 -0.03 1.66 0.00 -0.10 0.00 0.00 175.22 176.88 1d4a n ALA 223 N 2.55 2.70 -1.76 5.36 0.00 -1.26 -4.94 120.51 123.15 1d4a n ALA 223 Ca -0.16 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 1d4a n ALA 223 Cb 0.57 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.54 1d4a n ALA 223 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1d4a s PRO 224 N 0.32 3.56 0.24 0.00 0.02 -1.26 -4.89 135.00 133.00 1d4a s PRO 224 Ca 0.70 1.94 0.21 0.00 0.02 0.00 0.00 61.00 63.87 1d4a s PRO 224 Cb -0.50 -2.37 0.96 0.00 0.02 0.00 0.00 34.50 32.61 1d4a s PRO 224 CO 0.40 -0.76 1.65 -1.13 -0.33 0.00 0.00 177.00 176.83 1d4a n SER 225 N -0.64 0.56 0.05 2.53 3.41 -1.26 -2.11 113.62 116.16 1d4a n SER 225 Ca 0.08 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.45 1d4a n SER 225 Cb 0.47 -0.78 0.37 0.00 -0.26 0.00 0.00 64.21 64.01 1d4a n SER 225 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1d4a n SER 226 N -2.16 0.27 -0.08 4.04 3.41 -1.26 -1.67 113.62 116.17 1d4a n SER 226 Ca 0.01 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1d4a n SER 226 Cb 0.16 -0.62 0.42 0.00 -0.26 0.00 0.00 64.21 63.91 1d4a n SER 226 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1d4a n LEU 227 N -1.80 0.51 -4.53 1.04 4.77 -0.90 -4.88 117.00 111.22 1d4a n LEU 227 Ca 0.03 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.73 1d4a n LEU 227 Cb 0.18 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 1d4a n LEU 227 CO 0.15 0.11 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.52 1d4a s PHE 228 N -2.77 2.71 -0.84 -1.77 0.40 -0.67 0.37 117.98 115.40 1d4a s PHE 228 Ca 0.18 -0.16 -0.21 0.00 -0.60 0.00 0.00 56.93 56.14 1d4a s PHE 228 Cb 0.19 -1.51 0.09 0.00 0.51 0.00 0.00 43.02 42.30 1d4a s PHE 228 CO 0.58 0.33 1.13 -0.51 0.70 0.00 0.00 175.22 177.45 1d4a s ASP 229 N -1.57 6.43 -0.93 1.36 1.01 -0.29 -4.85 116.67 117.83 1d4a s ASP 229 Ca 0.17 -1.52 -0.11 0.00 0.71 0.00 0.00 52.55 51.80 1d4a s ASP 229 Cb -0.11 -2.44 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 1d4a s ASP 229 CO 0.08 -1.30 2.10 0.18 0.21 0.00 0.00 175.17 176.44 1d4a n LEU 230 N 7.44 4.98 -3.55 1.23 4.77 -1.26 -3.22 117.00 127.39 1d4a n LEU 230 Ca 0.15 -3.02 -0.17 0.00 -0.03 0.00 0.00 56.01 52.94 1d4a n LEU 230 Cb 0.48 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 1d4a n LEU 230 CO 0.58 0.44 0.37 0.54 -1.33 0.00 0.00 177.39 178.00 1d4a s ASN 231 N 3.78 -0.58 0.24 -1.43 4.22 -1.26 -4.99 114.94 114.93 1d4a s ASN 231 Ca 0.46 0.58 -0.05 0.00 -2.14 0.00 0.00 52.86 51.71 1d4a s ASN 231 Cb 0.12 0.51 0.37 0.00 1.28 0.00 0.00 41.25 43.53 1d4a s ASN 231 CO 0.00 -0.61 1.83 -0.26 -2.04 0.00 0.00 177.10 176.03 1d4a h PHE 232 N 3.06 0.94 -0.18 1.54 0.04 -1.95 -0.92 116.94 119.47 1d4a h PHE 232 Ca -0.28 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.57 1d4a h PHE 232 Cb 1.16 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1d4a h PHE 232 CO 0.39 0.43 0.19 0.37 -0.60 0.00 0.00 178.31 179.09 1d4a h GLN 233 N 0.89 0.00 0.00 1.51 5.75 -1.97 0.36 115.11 121.65 1d4a h GLN 233 Ca 0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.89 1d4a h GLN 233 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1d4a h GLN 233 CO -0.21 0.00 -1.12 0.00 -2.65 0.00 0.00 178.83 174.85 1d4a n ALA 234 N -2.35 4.32 -1.56 3.38 0.00 -0.50 -4.98 120.51 118.82 1d4a n ALA 234 Ca 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 1d4a n ALA 234 Cb 0.31 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 1d4a n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d4a n GLY 235 N 1.45 0.51 4.17 0.00 0.00 0.11 -3.38 105.19 108.06 1d4a n GLY 235 Ca 0.03 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1d4a n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d4a n PHE 236 N -3.34 -1.82 -3.10 1.61 3.01 -0.99 -4.94 117.46 107.89 1d4a n PHE 236 Ca -0.06 0.81 -0.23 0.00 1.01 0.00 0.00 57.45 58.98 1d4a n PHE 236 Cb 0.34 -3.12 0.00 0.00 -0.01 0.00 0.00 39.48 36.69 1d4a n PHE 236 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1d4a s LEU 237 N -7.26 3.76 0.32 4.37 1.43 -1.22 -4.76 118.68 115.32 1d4a s LEU 237 Ca 0.71 0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 53.86 1d4a s LEU 237 Cb -0.38 -3.22 -0.10 0.00 0.03 0.00 0.00 46.19 42.51 1d4a s LEU 237 CO 0.91 -0.57 1.39 -0.32 0.23 0.00 0.00 176.35 177.99 1d4a s MET 238 N -4.48 4.28 0.43 1.70 -2.45 -1.26 -1.14 119.30 116.37 1d4a s MET 238 Ca 0.46 2.32 -0.26 0.00 -1.25 0.00 0.00 55.69 56.96 1d4a s MET 238 Cb -0.10 -3.06 -0.09 0.00 1.25 0.00 0.00 34.83 32.83 1d4a s MET 238 CO 0.37 -0.33 1.41 1.63 1.05 0.00 0.00 175.02 179.16 1d4a n LYS 239 N 1.18 2.26 -0.31 4.11 5.02 0.16 -4.79 118.16 125.79 1d4a n LYS 239 Ca 0.02 0.80 0.06 0.00 -2.02 0.00 0.00 58.31 57.18 1d4a n LYS 239 Cb 0.41 -2.59 0.22 0.00 -0.02 0.00 0.00 35.03 33.04 1d4a n LYS 239 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1d4a h LYS 240 N 2.36 0.71 -0.67 1.97 3.11 -1.91 -0.09 116.57 122.05 1d4a h LYS 240 Ca -0.50 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.26 1d4a h LYS 240 Cb 1.27 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 32.31 1d4a h LYS 240 CO 0.61 0.47 0.29 0.93 -2.81 0.00 0.00 179.45 178.94 1d4a h GLU 241 N 0.73 0.98 -0.22 1.90 3.07 -1.96 -1.71 114.58 117.35 1d4a h GLU 241 Ca 0.46 -0.15 -0.16 0.00 -0.50 0.00 0.00 59.36 59.01 1d4a h GLU 241 Cb 0.56 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1d4a h GLU 241 CO -0.32 0.78 -0.47 0.28 -1.40 0.00 0.00 179.01 177.88 1d4a h VAL 242 N 0.96 1.31 -0.84 3.13 2.07 -1.53 -2.92 116.25 118.43 1d4a h VAL 242 Ca 0.23 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1d4a h VAL 242 Cb 0.15 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1d4a h VAL 242 CO -0.02 0.53 0.48 1.56 0.02 0.00 0.00 177.57 180.14 1d4a h GLN 243 N 0.43 1.15 -0.21 1.57 4.20 -0.81 -2.38 115.11 119.06 1d4a h GLN 243 Ca 0.00 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 1d4a h GLN 243 Cb 1.08 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1d4a h GLN 243 CO 0.10 0.82 -0.43 -0.44 -0.67 0.00 0.00 178.83 178.22 1d4a h ASP 244 N 1.16 0.54 1.17 1.46 3.32 -1.33 -2.54 116.42 120.21 1d4a h ASP 244 Ca 0.30 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1d4a h ASP 244 Cb -0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1d4a h ASP 244 CO -0.05 0.90 0.00 -0.33 -1.72 0.00 0.00 179.24 178.04 1d4a h GLU 245 N 0.42 0.00 0.00 3.56 5.08 -1.29 -3.21 114.58 119.14 1d4a h GLU 245 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1d4a h GLU 245 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1d4a h GLU 245 CO 0.08 0.00 -1.02 0.39 -1.00 0.00 0.00 179.01 177.46 1d4a n GLU 246 N -2.69 0.47 -0.35 2.33 -0.58 -0.92 -4.44 120.64 114.46 1d4a n GLU 246 Ca 0.02 0.06 0.01 0.00 -0.42 0.00 0.00 57.16 56.83 1d4a n GLU 246 Cb 0.34 -1.71 0.15 0.00 -0.57 0.00 0.00 31.44 29.64 1d4a n GLU 246 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1d4a h LYS 247 N 0.00 1.12 -0.00 3.49 1.57 -1.49 -2.10 116.57 119.16 1d4a h LYS 247 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1d4a h LYS 247 Cb 0.88 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1d4a h LYS 247 CO 0.00 0.74 0.00 0.09 -0.57 0.00 0.00 179.45 179.71 1d4a n ASN 248 N -4.51 0.00 -4.82 0.86 3.02 -1.26 -4.85 115.26 103.70 1d4a n ASN 248 Ca 0.14 -1.23 -0.38 0.00 -0.03 0.00 0.00 54.58 53.08 1d4a n ASN 248 Cb 0.14 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 1d4a n ASN 248 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1d4a s LYS 249 N -2.00 4.11 0.00 3.52 1.02 -0.79 -5.01 119.74 120.59 1d4a s LYS 249 Ca 0.37 0.63 -0.20 0.00 0.02 0.00 0.00 55.97 56.79 1d4a s LYS 249 Cb 0.17 -3.16 -0.23 0.00 -0.52 0.00 0.00 37.83 34.09 1d4a s LYS 249 CO 0.28 0.61 1.09 -0.22 -0.92 0.00 0.00 175.35 176.19 1d4a h LYS 250 N 4.31 0.40 -6.17 1.68 3.64 -1.88 -3.47 116.57 115.08 1d4a h LYS 250 Ca -0.50 -0.43 -0.57 0.00 -1.27 0.00 0.00 60.65 57.88 1d4a h LYS 250 Cb 1.21 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1d4a h LYS 250 CO 0.64 1.09 -0.32 -0.06 -2.27 0.00 0.00 179.45 178.53 1d4a s PHE 251 N -3.20 3.48 0.25 1.91 0.08 -1.26 -3.33 117.98 115.90 1d4a s PHE 251 Ca -0.13 0.51 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 1d4a s PHE 251 Cb 0.03 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.57 1d4a s PHE 251 CO 0.82 0.43 0.33 0.41 -0.10 0.00 0.00 175.22 177.10 1d4a n GLY 252 N -0.03 -1.26 0.12 4.36 0.00 0.15 -4.85 105.19 103.67 1d4a n GLY 252 Ca -0.03 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 1d4a n GLY 252 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1d4a h LEU 253 N 0.00 0.32 0.00 0.99 3.38 -1.04 -3.41 115.31 115.55 1d4a h LEU 253 Ca -0.11 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.24 1d4a h LEU 253 Cb 0.30 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1d4a h LEU 253 CO 0.08 1.55 0.06 -1.54 0.09 0.00 0.00 178.44 178.68 1d4a n SER 254 N -3.37 -0.35 0.28 -0.43 3.41 -1.11 -4.83 113.62 107.22 1d4a n SER 254 Ca -0.24 -1.22 -0.16 0.00 -0.26 0.00 0.00 58.87 56.98 1d4a n SER 254 Cb 1.05 0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 65.49 1d4a n SER 254 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1d4a h VAL 255 N 1.16 0.51 -0.10 -3.33 2.07 -1.93 -1.69 116.25 112.93 1d4a h VAL 255 Ca -0.05 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1d4a h VAL 255 Cb 0.20 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1d4a h VAL 255 CO 0.07 0.01 -0.51 1.23 0.02 0.00 0.00 177.57 178.39 1d4a h GLY 256 N -0.70 0.29 -5.19 2.17 0.00 -1.97 -3.21 103.07 94.46 1d4a h GLY 256 Ca -0.07 -0.32 -0.71 0.00 0.00 0.00 0.00 47.33 46.23 1d4a h GLY 256 CO 0.11 0.29 0.42 1.42 0.00 0.00 0.00 176.54 178.78 1d4a n HIS 257 N -3.95 3.18 0.59 5.60 -0.00 -1.18 -4.66 115.22 114.80 1d4a n HIS 257 Ca -0.02 -2.77 0.13 0.00 -0.00 0.00 0.00 57.72 55.05 1d4a n HIS 257 Cb 0.55 -0.84 0.44 0.00 -0.00 0.00 0.00 29.99 30.14 1d4a n HIS 257 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1d4a n HIS 258 N -0.38 0.81 -1.69 4.41 1.44 -0.64 -0.50 115.22 118.66 1d4a n HIS 258 Ca 0.46 0.26 -0.13 0.00 -2.01 0.00 0.00 57.72 56.29 1d4a n HIS 258 Cb 0.36 -0.92 -0.04 0.00 0.12 0.00 0.00 29.99 29.51 1d4a n HIS 258 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1d4a n LEU 259 N -2.18 -1.04 0.00 2.39 4.77 -1.26 -0.48 117.00 119.20 1d4a n LEU 259 Ca 0.05 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1d4a n LEU 259 Cb 0.36 -2.07 0.00 0.00 -2.33 0.00 0.00 43.42 39.39 1d4a n LEU 259 CO 0.27 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1d4a n GLY 260 N -0.41 0.75 0.00 -0.72 0.00 -1.26 -5.02 105.19 98.52 1d4a n GLY 260 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1d4a n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d4a n LYS 261 N -2.39 2.32 -2.36 1.61 5.02 0.37 -5.10 118.16 117.63 1d4a n LYS 261 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1d4a n LYS 261 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1d4a n LYS 261 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1d4a s SER 262 N -0.58 6.74 -0.09 4.39 0.01 -1.21 -4.69 113.70 118.26 1d4a s SER 262 Ca 0.00 2.30 -0.23 0.00 1.31 0.00 0.00 55.95 59.33 1d4a s SER 262 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1d4a s SER 262 CO 0.00 -0.52 0.67 -0.63 0.41 0.00 0.00 173.24 173.17 1d4a s ILE 263 N -1.38 5.05 0.34 1.44 1.01 -1.26 0.33 121.20 126.73 1d4a s ILE 263 Ca 0.54 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 62.27 1d4a s ILE 263 Cb -0.30 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.05 1d4a s ILE 263 CO 0.38 0.24 1.55 -2.16 0.00 0.00 0.00 174.94 174.95 1d4a s PRO 264 N 0.95 4.10 0.11 2.79 0.04 -1.26 -4.86 135.00 136.88 1d4a s PRO 264 Ca 0.35 2.59 -0.35 0.00 0.04 0.00 0.00 61.00 63.63 1d4a s PRO 264 Cb -0.17 -2.99 -0.17 0.00 0.04 0.00 0.00 34.50 31.21 1d4a s PRO 264 CO 0.16 -0.60 1.25 2.41 0.04 0.00 0.00 177.00 180.26 1d4a n THR 265 N 1.32 0.33 -4.32 1.26 -1.04 -1.26 -2.45 114.28 108.12 1d4a n THR 265 Ca 0.05 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.62 1d4a n THR 265 Cb 0.38 -0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 68.06 1d4a n THR 265 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1d4a n ASP 266 N 2.28 -1.43 -0.08 8.00 8.00 -1.26 -4.83 116.55 127.23 1d4a n ASP 266 Ca 0.17 -1.15 0.11 0.00 0.71 0.00 0.00 54.79 54.63 1d4a n ASP 266 Cb 0.20 -2.14 0.49 0.00 -0.02 0.00 0.00 41.12 39.65 1d4a n ASP 266 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1d4a h ASN 267 N -1.40 0.39 -0.29 -2.24 -1.24 -1.66 0.13 115.58 109.26 1d4a h ASN 267 Ca -0.62 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1d4a h ASN 267 Cb 1.39 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.36 1d4a h ASN 267 CO 0.78 0.24 0.00 0.00 -1.29 0.00 0.00 177.43 177.16 1d4a n GLN 268 N -4.47 2.27 -0.01 6.67 1.13 -1.26 -4.40 117.38 117.30 1d4a n GLN 268 Ca 0.09 -2.08 -0.01 0.00 -1.94 0.00 0.00 57.00 53.06 1d4a n GLN 268 Cb 0.34 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 1d4a n GLN 268 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1d4a n ILE 269 N 1.28 0.15 -4.71 5.09 5.41 -0.76 -4.56 119.36 121.27 1d4a n ILE 269 Ca 0.16 -0.09 -0.25 0.00 1.00 0.00 0.00 62.75 63.58 1d4a n ILE 269 Cb 0.55 -0.86 -0.14 0.00 -0.71 0.00 0.00 39.64 38.48 1d4a n ILE 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1d4a s LYS 270 N -2.05 1.40 0.74 0.38 -0.14 -0.04 -4.36 119.74 115.66 1d4a s LYS 270 Ca -0.02 -0.84 -0.11 0.00 -1.36 0.00 0.00 55.97 53.64 1d4a s LYS 270 Cb 0.01 -1.45 0.04 0.00 -1.68 0.00 0.00 37.83 34.74 1d4a s LYS 270 CO 0.08 0.38 1.08 0.00 -0.76 0.00 0.00 175.35 176.13 1d4a s ALA 271 N -0.69 2.42 0.00 5.17 0.00 -1.26 -4.47 121.76 122.93 1d4a s ALA 271 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1d4a s ALA 271 Cb -0.08 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1d4a s ALA 271 CO 0.01 -1.56 0.00 0.54 0.00 0.00 0.00 175.76 174.75 1d4a n ARG 272 N -3.37 0.00 -0.72 0.00 1.74 -1.26 -5.02 116.66 108.03 1d4a n ARG 272 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1d4a n ARG 272 Cb 0.53 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 1d4a n ARG 272 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74