#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 -0.37 0.00 2.92 0.00 -1.26 -5.03 107.32 103.58 1d4a s GLY 2 Ca 0.00 1.64 0.18 0.00 0.00 0.00 0.00 44.72 46.55 1d4a s GLY 2 CO 0.00 1.85 0.88 0.54 0.00 0.00 0.00 173.10 176.37 1d4a n ARG 3 N 4.38 1.41 -4.86 2.90 5.12 -1.26 -4.94 116.66 119.40 1d4a n ARG 3 Ca -0.22 -0.61 -0.33 0.00 -1.93 0.00 0.00 57.85 54.77 1d4a n ARG 3 Cb 0.55 -1.35 -0.16 0.00 -1.16 0.00 0.00 32.46 30.35 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 -2.29 3.17 0.04 5.56 0.52 -1.26 0.11 118.95 124.80 1d4a s ARG 4 Ca 0.13 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 54.60 1d4a s ARG 4 Cb 0.14 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 1d4a s ARG 4 CO 0.55 0.12 -0.16 0.00 0.02 0.00 0.00 175.30 175.82 1d4a s ALA 5 N 0.53 1.39 -0.06 2.13 0.00 0.11 -0.20 121.76 125.65 1d4a s ALA 5 Ca -0.12 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 50.96 1d4a s ALA 5 Cb -0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 1d4a s ALA 5 CO 0.04 0.28 -0.21 -1.17 0.00 0.00 0.00 175.76 174.70 1d4a s LEU 6 N -1.20 1.98 -0.23 0.00 2.96 -0.04 -0.94 118.68 121.21 1d4a s LEU 6 Ca 0.04 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1d4a s LEU 6 Cb -0.08 -1.20 0.02 0.00 0.50 0.00 0.00 46.19 45.43 1d4a s LEU 6 CO 0.02 0.17 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.49 1d4a s ILE 7 N 0.11 2.65 -0.36 6.68 1.01 -0.23 -0.89 121.20 130.17 1d4a s ILE 7 Ca -0.09 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 1d4a s ILE 7 Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1d4a s ILE 7 CO 0.05 0.28 0.25 -0.69 0.00 0.00 0.00 174.94 174.83 1d4a s VAL 8 N 1.31 5.26 -0.12 2.92 1.01 0.87 -0.90 120.40 130.74 1d4a s VAL 8 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1d4a s VAL 8 Cb -0.16 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1d4a s VAL 8 CO -0.07 -0.09 0.02 -0.22 0.00 0.00 0.00 175.10 174.75 1d4a s LEU 9 N 1.71 3.67 -0.59 3.92 2.96 -0.32 -1.06 118.68 128.98 1d4a s LEU 9 Ca 0.06 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 1d4a s LEU 9 Cb -0.18 -1.87 0.20 0.00 0.50 0.00 0.00 46.19 44.85 1d4a s LEU 9 CO 0.10 0.31 0.54 0.00 -1.32 0.00 0.00 176.35 175.99 1d4a n ALA 10 N 2.60 3.36 -3.61 5.97 0.00 -0.62 -2.09 120.51 126.11 1d4a n ALA 10 Ca -0.18 -4.17 -0.10 0.00 0.00 0.00 0.00 53.44 48.99 1d4a n ALA 10 Cb 0.53 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.43 -0.77 -0.43 0.00 5.04 -1.26 -4.40 115.29 112.04 1d4a s HIS 11 Ca 0.32 1.65 0.24 0.00 -1.54 0.00 0.00 55.06 55.72 1d4a s HIS 11 Cb 0.06 0.38 0.39 0.00 0.04 0.00 0.00 32.58 33.46 1d4a s HIS 11 CO -0.12 -0.40 1.63 0.66 -2.34 0.00 0.00 174.74 174.17 1d4a h SER 12 N 6.58 0.00 -3.42 9.88 4.64 -1.97 -3.43 113.55 125.83 1d4a h SER 12 Ca -0.32 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.38 1d4a h SER 12 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1d4a h SER 12 CO 0.21 0.00 -0.53 -1.61 -0.87 0.00 0.00 176.83 174.03 1d4a s GLU 13 N -3.22 4.04 0.11 4.77 0.41 -1.26 -4.94 118.70 118.60 1d4a s GLU 13 Ca 0.07 -0.30 0.23 0.00 -0.41 0.00 0.00 54.97 54.56 1d4a s GLU 13 Cb 0.05 -3.39 0.91 0.00 -1.78 0.00 0.00 34.13 29.93 1d4a s GLU 13 CO 0.66 0.17 1.71 2.89 -0.49 0.00 0.00 175.26 180.21 1d4a n ARG 14 N 3.90 0.10 -0.06 1.61 -4.01 -1.26 -2.42 116.66 114.52 1d4a n ARG 14 Ca -0.16 0.22 0.12 0.00 -1.04 0.00 0.00 57.85 56.99 1d4a n ARG 14 Cb 0.52 -1.66 0.34 0.00 -3.04 0.00 0.00 32.46 28.62 1d4a n ARG 14 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 1d4a n THR 15 N -1.84 0.16 -1.79 8.89 -2.24 -1.26 -4.70 114.28 111.49 1d4a n THR 15 Ca 0.05 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 1d4a n THR 15 Cb 0.29 0.74 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.77 5.67 0.38 3.42 1.04 -1.02 -4.95 113.70 116.47 1d4a s SER 16 Ca 0.34 1.36 0.17 0.00 0.48 0.00 0.00 55.95 58.30 1d4a s SER 16 Cb 0.20 -2.27 0.75 0.00 0.10 0.00 0.00 66.02 64.80 1d4a s SER 16 CO 0.30 -1.22 1.79 0.15 0.98 0.00 0.00 173.24 175.24 1d4a h PHE 17 N -0.57 0.00 -0.55 5.02 3.57 -1.92 -2.56 116.94 119.93 1d4a h PHE 17 Ca -0.45 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 1d4a h PHE 17 Cb 1.22 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1d4a h PHE 17 CO 0.59 0.38 0.14 -0.91 -2.23 0.00 0.00 178.31 176.27 1d4a h ASN 18 N 0.00 0.84 -0.62 0.41 2.35 -1.92 0.07 115.58 116.70 1d4a h ASN 18 Ca -0.00 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 1d4a h ASN 18 Cb 0.77 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1d4a h ASN 18 CO 0.05 0.85 0.11 0.22 -1.65 0.00 0.00 177.43 177.01 1d4a h TYR 19 N 0.78 1.11 -0.41 1.19 3.20 -1.72 -1.77 116.97 119.35 1d4a h TYR 19 Ca 0.17 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1d4a h TYR 19 Cb 0.34 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1d4a h TYR 19 CO 0.02 0.93 0.06 0.00 -1.64 0.00 0.00 178.16 177.54 1d4a h ALA 20 N 1.12 1.34 -0.13 1.82 0.00 -1.04 -1.51 119.26 120.87 1d4a h ALA 20 Ca 0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1d4a h ALA 20 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1d4a h ALA 20 CO 0.01 0.46 -0.50 0.52 0.00 0.00 0.00 179.25 179.75 1d4a h MET 21 N 0.61 0.33 -0.22 0.00 2.86 -0.48 -0.61 114.93 117.42 1d4a h MET 21 Ca 0.13 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1d4a h MET 21 Cb 0.29 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1d4a h MET 21 CO 0.00 0.76 -0.01 -0.22 1.06 0.00 0.00 176.91 178.50 1d4a h LYS 22 N 0.26 0.39 -0.64 1.72 3.11 -0.84 -1.58 116.57 118.99 1d4a h LYS 22 Ca 0.01 -0.13 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 1d4a h LYS 22 Cb 0.97 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.14 1d4a h LYS 22 CO 0.08 0.60 0.19 0.93 -2.81 0.00 0.00 179.45 178.44 1d4a h GLU 23 N 0.15 1.00 -0.45 1.90 4.39 -1.18 -1.79 114.58 118.60 1d4a h GLU 23 Ca 0.06 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.56 1d4a h GLU 23 Cb 0.43 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1d4a h GLU 23 CO 0.01 0.89 0.26 0.00 -1.16 0.00 0.00 179.01 179.01 1d4a h ALA 24 N 1.07 0.57 -0.27 3.43 0.00 -1.00 -0.96 119.26 122.10 1d4a h ALA 24 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1d4a h ALA 24 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1d4a h ALA 24 CO -0.00 -0.07 0.16 0.00 0.00 0.00 0.00 179.25 179.34 1d4a h ALA 25 N 1.21 0.35 -0.67 0.00 0.00 -1.00 -1.59 119.26 117.55 1d4a h ALA 25 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1d4a h ALA 25 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1d4a h ALA 25 CO -0.09 -0.14 0.27 0.00 0.00 0.00 0.00 179.25 179.29 1d4a h ALA 26 N 1.05 1.21 0.03 0.00 0.00 -1.11 -1.67 119.26 118.78 1d4a h ALA 26 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d4a h ALA 26 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1d4a h ALA 26 CO -0.02 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 1d4a h ALA 27 N 1.33 -0.04 -0.52 0.00 0.00 -0.96 -2.20 119.26 116.86 1d4a h ALA 27 Ca 0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1d4a h ALA 27 Cb 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1d4a h ALA 27 CO -0.02 -0.36 0.33 0.00 0.00 0.00 0.00 179.25 179.20 1d4a h ALA 28 N 0.57 0.66 0.01 0.00 0.00 -1.20 -2.50 119.26 116.81 1d4a h ALA 28 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1d4a h ALA 28 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1d4a h ALA 28 CO 0.01 0.06 -0.01 -0.07 0.00 0.00 0.00 179.25 179.24 1d4a h LEU 29 N 0.66 -0.02 -1.35 0.00 4.07 -1.34 -2.78 115.31 114.55 1d4a h LEU 29 Ca 0.20 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.04 1d4a h LEU 29 Cb -0.03 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 1d4a h LEU 29 CO -0.07 0.17 0.48 0.11 -1.08 0.00 0.00 178.44 178.04 1d4a h LYS 30 N -0.20 0.78 -0.19 1.13 1.57 -1.36 -1.20 116.57 117.10 1d4a h LYS 30 Ca -0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1d4a h LYS 30 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1d4a h LYS 30 CO 0.00 0.52 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.08 1d4a h LYS 31 N 0.81 0.30 -0.48 3.15 3.64 -1.30 -1.73 116.57 120.95 1d4a h LYS 31 Ca 0.30 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1d4a h LYS 31 Cb 0.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1d4a h LYS 31 CO -0.10 0.41 0.00 1.63 -2.27 0.00 0.00 179.45 179.12 1d4a n LYS 32 N -4.28 2.17 -0.47 1.90 4.76 -0.55 -4.91 118.16 116.78 1d4a n LYS 32 Ca -0.00 -1.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.97 1d4a n LYS 32 Cb 0.26 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.95 0.76 3.85 0.72 0.00 -0.65 -5.07 105.19 105.74 1d4a n GLY 33 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.22 3.46 -0.27 1.61 0.52 -0.62 -4.97 118.94 116.45 1d4a s TRP 34 Ca 0.00 1.43 -0.14 0.00 0.02 0.00 0.00 56.10 57.41 1d4a s TRP 34 Cb 0.00 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1d4a s TRP 34 CO 0.00 -0.35 0.33 -2.00 0.02 0.00 0.00 176.95 174.94 1d4a s GLU 35 N -4.08 4.01 -0.18 4.98 2.12 0.30 -4.22 118.70 121.63 1d4a s GLU 35 Ca 0.58 -0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.85 1d4a s GLU 35 Cb -0.10 -3.65 -0.00 0.00 0.26 0.00 0.00 34.13 30.64 1d4a s GLU 35 CO 0.32 -0.23 -0.11 0.08 -0.54 0.00 0.00 175.26 174.77 1d4a s VAL 36 N 1.93 2.95 0.18 3.70 1.01 -1.26 -0.71 120.40 128.20 1d4a s VAL 36 Ca 0.13 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1d4a s VAL 36 Cb -0.16 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1d4a s VAL 36 CO 0.10 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1d4a s VAL 37 N 1.04 2.84 0.13 2.92 1.01 -0.11 -5.01 120.40 123.22 1d4a s VAL 37 Ca -0.00 -1.78 0.05 0.00 0.00 0.00 0.00 61.98 60.24 1d4a s VAL 37 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1d4a s VAL 37 CO -0.02 -0.09 -0.12 -1.61 0.00 0.00 0.00 175.10 173.26 1d4a s GLU 38 N -2.70 1.01 -0.43 2.72 2.02 -1.26 -1.07 118.70 118.99 1d4a s GLU 38 Ca 0.23 -1.30 0.02 0.00 0.02 0.00 0.00 54.97 53.93 1d4a s GLU 38 Cb -0.09 -0.74 0.15 0.00 0.10 0.00 0.00 34.13 33.55 1d4a s GLU 38 CO 0.13 0.12 0.27 -1.12 0.02 0.00 0.00 175.26 174.68 1d4a s SER 39 N -2.71 3.04 -0.81 -0.19 0.01 -0.08 -4.90 113.70 108.05 1d4a s SER 39 Ca 0.11 -2.70 -0.21 0.00 1.31 0.00 0.00 55.95 54.47 1d4a s SER 39 Cb -0.02 -0.75 0.09 0.00 0.21 0.00 0.00 66.02 65.55 1d4a s SER 39 CO 0.02 -0.24 1.08 -0.62 0.41 0.00 0.00 173.24 173.88 1d4a s ASP 40 N 0.35 6.39 0.23 2.44 -1.08 -1.26 -1.17 116.67 122.57 1d4a s ASP 40 Ca 0.22 -1.48 -0.07 0.00 -0.52 0.00 0.00 52.55 50.70 1d4a s ASP 40 Cb -0.16 -2.42 0.35 0.00 -1.46 0.00 0.00 42.92 39.23 1d4a s ASP 40 CO -0.06 -1.29 1.77 -0.07 0.52 0.00 0.00 175.17 176.04 1d4a h LEU 41 N 11.08 0.40 -0.43 -1.34 3.38 -1.79 0.61 115.31 127.23 1d4a h LEU 41 Ca -0.06 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1d4a h LEU 41 Cb 1.05 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1d4a h LEU 41 CO 1.17 0.22 -0.35 1.88 0.09 0.00 0.00 178.44 181.45 1d4a h TYR 42 N 0.55 1.11 -0.53 1.13 0.05 -1.83 -0.73 116.97 116.72 1d4a h TYR 42 Ca 0.36 -0.32 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1d4a h TYR 42 Cb 0.42 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1d4a h TYR 42 CO -0.12 1.15 0.09 0.00 -1.05 0.00 0.00 178.16 178.23 1d4a h ALA 43 N 0.81 1.17 -0.00 3.88 0.00 -1.72 -1.95 119.26 121.44 1d4a h ALA 43 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1d4a h ALA 43 Cb 0.94 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1d4a h ALA 43 CO 0.09 0.56 -0.04 -1.33 0.00 0.00 0.00 179.25 178.53 1d4a n MET 44 N -4.25 0.69 -3.68 0.00 2.81 0.15 -4.89 117.12 107.94 1d4a n MET 44 Ca 0.04 -0.11 -0.27 0.00 -1.81 0.00 0.00 57.70 55.54 1d4a n MET 44 Cb 0.25 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.31 1d4a n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1d4a n ASN 45 N -1.06 -5.45 -4.67 7.83 5.15 -0.73 -4.86 115.26 111.48 1d4a n ASN 45 Ca 0.17 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 53.09 1d4a n ASN 45 Cb 0.23 -4.33 -0.01 0.00 -0.53 0.00 0.00 39.78 35.13 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 -4.74 2.01 -3.05 1.20 7.35 -0.35 -4.95 117.46 114.94 1d4a n PHE 46 Ca 0.01 0.57 -0.43 0.00 -0.76 0.00 0.00 57.45 56.85 1d4a n PHE 46 Cb 0.55 -2.38 -0.06 0.00 0.35 0.00 0.00 39.48 37.93 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 -0.27 6.34 0.00 -2.13 3.04 -1.26 -4.93 114.94 115.73 1d4a s ASN 47 Ca 0.58 -0.34 0.23 0.00 0.04 0.00 0.00 52.86 53.37 1d4a s ASN 47 Cb -0.62 -2.35 0.68 0.00 -1.54 0.00 0.00 41.25 37.43 1d4a s ASN 47 CO 0.60 -0.87 1.52 -0.81 -3.04 0.00 0.00 177.10 174.50 1d4a n PRO 48 N 6.49 1.94 -3.47 0.43 -0.04 -1.26 -4.82 135.00 134.27 1d4a n PRO 48 Ca -0.01 -1.40 -0.41 0.00 -0.04 0.00 0.00 63.50 61.64 1d4a n PRO 48 Cb 0.48 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.79 5.24 0.32 0.52 1.01 -1.26 -4.24 121.20 120.99 1d4a s ILE 49 Ca 0.34 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1d4a s ILE 49 Cb 0.19 -3.81 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 1d4a s ILE 49 CO 0.29 -0.13 1.37 -0.63 0.00 0.00 0.00 174.94 175.84 1d4a s ILE 50 N 1.81 2.58 0.22 2.92 1.01 -1.26 -4.99 121.20 123.48 1d4a s ILE 50 Ca 0.08 0.56 -0.22 0.00 0.00 0.00 0.00 60.65 61.07 1d4a s ILE 50 Cb -0.18 -3.36 0.06 0.00 0.01 0.00 0.00 42.46 39.00 1d4a s ILE 50 CO 0.11 0.13 0.93 -0.94 0.00 0.00 0.00 174.94 175.16 1d4a s SER 51 N -0.24 -0.10 0.51 3.58 1.04 -1.26 -5.01 113.70 112.22 1d4a s SER 51 Ca 0.52 -0.63 0.34 0.00 0.48 0.00 0.00 55.95 56.66 1d4a s SER 51 Cb -0.41 0.58 1.63 0.00 0.10 0.00 0.00 66.02 67.92 1d4a s SER 51 CO 0.53 -1.11 2.03 0.08 0.98 0.00 0.00 173.24 175.74 1d4a h ARG 52 N 2.00 0.00 0.00 4.02 0.11 -1.95 -1.79 114.38 116.77 1d4a h ARG 52 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 1d4a h ARG 52 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1d4a h ARG 52 CO 0.31 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.01 1d4a n LYS 53 N -2.84 0.20 0.02 0.08 5.02 -1.26 -1.75 118.16 117.63 1d4a n LYS 53 Ca -0.01 0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1d4a n LYS 53 Cb 0.18 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.30 0.13 -4.40 4.39 8.00 -0.67 -4.57 116.55 118.13 1d4a n ASP 54 Ca 0.07 0.52 -0.35 0.00 0.71 0.00 0.00 54.79 55.74 1d4a n ASP 54 Cb 0.12 -0.55 -0.13 0.00 -0.02 0.00 0.00 41.12 40.54 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 -3.03 3.79 -0.05 0.53 1.09 -0.72 -0.36 121.20 122.46 1d4a s ILE 55 Ca 0.11 -0.36 -0.24 0.00 -1.10 0.00 0.00 60.65 59.06 1d4a s ILE 55 Cb 0.15 -2.73 -0.24 0.00 -1.06 0.00 0.00 42.46 38.58 1d4a s ILE 55 CO 0.45 0.41 1.03 0.74 -0.10 0.00 0.00 174.94 177.47 1d4a h THR 56 N 5.53 1.54 -0.78 2.92 2.02 -1.29 -3.47 112.91 119.38 1d4a h THR 56 Ca -0.38 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1d4a h THR 56 Cb 1.17 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1d4a h THR 56 CO 0.60 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.64 1d4a n GLY 57 N 1.07 -2.65 3.85 2.16 0.00 -1.25 -5.00 105.19 103.36 1d4a n GLY 57 Ca -0.10 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.30 3.95 0.82 1.61 3.01 -1.26 -5.06 119.74 121.50 1d4a s LYS 58 Ca 0.00 0.47 -0.12 0.00 -1.01 0.00 0.00 55.97 55.31 1d4a s LYS 58 Cb 0.00 -2.80 0.08 0.00 -1.01 0.00 0.00 37.83 34.11 1d4a s LYS 58 CO 0.00 0.40 1.14 -0.51 0.51 0.00 0.00 175.35 176.89 1d4a s LEU 59 N -2.31 2.44 -0.11 3.17 1.43 -1.26 -5.01 118.68 117.03 1d4a s LEU 59 Ca 0.42 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.24 1d4a s LEU 59 Cb -0.14 -3.47 -0.27 0.00 0.03 0.00 0.00 46.19 42.34 1d4a s LEU 59 CO 0.20 -2.01 0.74 0.50 0.23 0.00 0.00 176.35 176.01 1d4a h LYS 60 N -1.13 0.13 -2.37 1.70 1.63 -1.97 -3.41 116.57 111.15 1d4a h LYS 60 Ca -0.47 -0.23 -0.59 0.00 -0.85 0.00 0.00 60.65 58.51 1d4a h LYS 60 Cb 1.31 0.08 -0.40 0.00 -0.60 0.00 0.00 32.23 32.63 1d4a h LYS 60 CO 0.64 1.11 -0.86 -3.47 -3.45 0.00 0.00 179.45 173.42 1d4a n ASP 61 N -4.35 1.24 0.29 4.20 -0.08 -1.26 -4.99 116.55 111.60 1d4a n ASP 61 Ca -0.15 -2.84 0.14 0.00 -1.51 0.00 0.00 54.79 50.43 1d4a n ASP 61 Cb 0.66 -0.64 0.89 0.00 2.34 0.00 0.00 41.12 44.37 1d4a n ASP 61 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1d4a h PRO 62 N 4.83 0.00 0.00 -0.67 0.13 -1.99 -2.61 132.00 131.69 1d4a h PRO 62 Ca 0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.21 1d4a h PRO 62 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1d4a h PRO 62 CO 0.56 0.00 -0.62 0.00 -0.23 0.00 0.00 178.00 177.70 1d4a h ALA 63 N 2.00 0.70 -2.66 -0.56 0.00 -1.99 -3.37 119.26 113.37 1d4a h ALA 63 Ca 0.00 -0.43 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 1d4a h ALA 63 Cb 0.01 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 1d4a h ALA 63 CO -0.00 0.55 -0.75 -1.71 0.00 0.00 0.00 179.25 177.34 1d4a n ASN 64 N -3.12 1.68 -4.66 0.00 5.15 -0.99 -5.10 115.26 108.22 1d4a n ASN 64 Ca 0.00 -2.91 -0.43 0.00 -0.60 0.00 0.00 54.58 50.65 1d4a n ASN 64 Cb 0.71 -0.67 -0.02 0.00 -0.53 0.00 0.00 39.78 39.27 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 -1.03 2.83 -0.27 1.20 5.36 -1.19 -4.78 117.98 120.10 1d4a s PHE 65 Ca 0.30 0.98 0.02 0.00 -0.96 0.00 0.00 56.93 57.27 1d4a s PHE 65 Cb 0.02 -3.52 0.06 0.00 -0.34 0.00 0.00 43.02 39.24 1d4a s PHE 65 CO -0.16 -1.80 -0.08 -0.65 -1.46 0.00 0.00 175.22 171.07 1d4a s GLN 66 N 3.40 2.26 0.13 10.12 -1.52 -1.26 -5.04 119.66 127.75 1d4a s GLN 66 Ca 0.56 -1.35 -0.22 0.00 -1.95 0.00 0.00 55.36 52.40 1d4a s GLN 66 Cb -0.23 -2.96 -0.01 0.00 -0.22 0.00 0.00 33.01 29.59 1d4a s GLN 66 CO 0.16 -0.59 1.66 -0.92 -0.25 0.00 0.00 175.29 175.35 1d4a h TYR 67 N 7.81 -0.41 -0.44 0.91 3.20 -1.98 -2.41 116.97 123.65 1d4a h TYR 67 Ca -0.19 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.79 1d4a h TYR 67 Cb 1.04 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 39.42 1d4a h TYR 67 CO 0.63 -0.23 -0.34 -1.35 -1.64 0.00 0.00 178.16 175.23 1d4a h PRO 68 N -0.19 -0.23 -0.20 1.82 0.11 -1.99 -0.58 132.00 130.73 1d4a h PRO 68 Ca 0.10 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 1d4a h PRO 68 Cb 0.34 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1d4a h PRO 68 CO -0.26 -0.16 -0.18 0.00 -0.21 0.00 0.00 178.00 177.19 1d4a h ALA 69 N 0.77 0.29 -0.64 -0.75 0.00 -1.98 -2.37 119.26 114.58 1d4a h ALA 69 Ca 0.18 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1d4a h ALA 69 Cb 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1d4a h ALA 69 CO -0.57 0.21 0.21 0.93 0.00 0.00 0.00 179.25 180.03 1d4a h GLU 70 N 0.15 0.96 -0.32 0.00 4.39 -1.32 -1.34 114.58 117.11 1d4a h GLU 70 Ca 0.03 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.39 1d4a h GLU 70 Cb 0.72 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1d4a h GLU 70 CO 0.05 0.81 -0.44 0.66 -1.16 0.00 0.00 179.01 178.93 1d4a h SER 71 N 0.93 0.90 -0.38 1.42 4.64 -1.12 -1.19 113.55 118.75 1d4a h SER 71 Ca 0.21 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1d4a h SER 71 Cb 0.25 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1d4a h SER 71 CO -0.01 1.21 0.14 0.58 -0.87 0.00 0.00 176.83 177.88 1d4a h VAL 72 N 0.67 1.20 -0.87 0.95 2.07 -1.19 -0.14 116.25 118.94 1d4a h VAL 72 Ca 0.04 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1d4a h VAL 72 Cb 1.02 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1d4a h VAL 72 CO 0.10 0.22 0.52 0.25 0.02 0.00 0.00 177.57 178.68 1d4a h LEU 73 N 0.47 1.05 -1.00 2.57 5.85 -1.19 -1.53 115.31 121.53 1d4a h LEU 73 Ca 0.12 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1d4a h LEU 73 Cb 0.21 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1d4a h LEU 73 CO -0.01 0.81 -0.26 0.00 -0.34 0.00 0.00 178.44 178.64 1d4a h ALA 74 N 1.28 1.16 -0.30 1.25 0.00 -0.85 -1.26 119.26 120.54 1d4a h ALA 74 Ca 0.31 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1d4a h ALA 74 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1d4a h ALA 74 CO -0.06 0.54 0.02 -0.92 0.00 0.00 0.00 179.25 178.83 1d4a h TYR 75 N 0.36 0.57 -0.44 0.00 3.20 -0.35 0.18 116.97 120.48 1d4a h TYR 75 Ca 0.05 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 1d4a h TYR 75 Cb 0.66 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1d4a h TYR 75 CO 0.02 0.64 -0.16 0.87 -1.64 0.00 0.00 178.16 177.89 1d4a h LYS 76 N 0.33 0.84 -0.01 1.82 1.57 -1.09 -3.09 116.57 116.93 1d4a h LYS 76 Ca 0.09 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1d4a h LYS 76 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1d4a h LYS 76 CO 0.01 0.94 -0.02 0.39 -0.57 0.00 0.00 179.45 180.21 1d4a n GLU 77 N -4.13 1.60 -2.11 3.15 1.02 -0.49 -4.96 120.64 114.71 1d4a n GLU 77 Ca 0.01 -0.92 -0.02 0.00 -0.02 0.00 0.00 57.16 56.20 1d4a n GLU 77 Cb 0.41 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.18 0.33 2.57 0.62 0.00 -0.57 -5.00 105.19 104.31 1d4a n GLY 78 Ca 0.19 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.87 1.95 -2.98 1.61 1.44 0.53 -5.03 115.22 108.87 1d4a n HIS 79 Ca -0.03 -3.14 -0.30 0.00 -2.01 0.00 0.00 57.72 52.25 1d4a n HIS 79 Cb 0.52 -0.30 -0.03 0.00 0.12 0.00 0.00 29.99 30.29 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 -3.18 3.89 0.33 2.39 1.43 -1.24 -0.95 118.68 121.34 1d4a s LEU 80 Ca 0.37 1.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.22 1d4a s LEU 80 Cb 0.41 -3.88 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 1d4a s LEU 80 CO -0.06 -0.35 1.03 -0.24 0.23 0.00 0.00 176.35 176.97 1d4a n SER 81 N -1.21 1.43 0.28 2.29 2.88 0.51 -4.68 113.62 115.13 1d4a n SER 81 Ca 0.01 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.83 1d4a n SER 81 Cb 0.54 -1.33 0.81 0.00 -0.75 0.00 0.00 64.21 63.49 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 1.93 0.00 -0.10 -1.46 0.13 -1.94 -1.97 132.00 128.59 1d4a h PRO 82 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 1d4a h PRO 82 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1d4a h PRO 82 CO 0.60 0.05 -0.50 0.38 -0.23 0.00 0.00 178.00 178.30 1d4a h ASP 83 N 0.00 0.28 -0.06 1.44 2.03 -2.00 -1.74 116.42 116.38 1d4a h ASP 83 Ca -0.00 -0.14 -0.02 0.00 -0.73 0.00 0.00 57.03 56.14 1d4a h ASP 83 Cb 0.13 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1d4a h ASP 83 CO 0.01 0.74 -0.03 0.40 -1.03 0.00 0.00 179.24 179.33 1d4a h ILE 84 N 0.21 1.33 -0.86 4.15 2.04 -1.73 -3.12 117.51 119.53 1d4a h ILE 84 Ca 0.01 -1.04 0.07 0.00 1.00 0.00 0.00 64.86 64.90 1d4a h ILE 84 Cb 0.96 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.89 1d4a h ILE 84 CO 0.08 0.28 0.56 0.58 0.00 0.00 0.00 178.15 179.65 1d4a h VAL 85 N -0.27 1.03 -0.74 1.67 2.07 -1.28 -1.47 116.25 117.26 1d4a h VAL 85 Ca 0.01 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1d4a h VAL 85 Cb 0.47 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1d4a h VAL 85 CO 0.01 0.17 0.41 0.00 0.02 0.00 0.00 177.57 178.18 1d4a h ALA 86 N 1.54 0.95 -0.47 1.67 0.00 -1.30 -0.92 119.26 120.72 1d4a h ALA 86 Ca 0.38 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1d4a h ALA 86 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1d4a h ALA 86 CO -0.14 0.45 -0.20 0.93 0.00 0.00 0.00 179.25 180.29 1d4a h GLU 87 N 1.02 0.95 -0.30 0.00 4.39 -1.27 -2.78 114.58 116.58 1d4a h GLU 87 Ca 0.26 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 1d4a h GLU 87 Cb 0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1d4a h GLU 87 CO -0.04 1.06 -0.09 1.96 -1.16 0.00 0.00 179.01 180.73 1d4a h GLN 88 N 0.82 0.49 -0.32 2.33 4.20 -1.00 -1.62 115.11 120.02 1d4a h GLN 88 Ca 0.11 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1d4a h GLN 88 Cb 0.77 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1d4a h GLN 88 CO 0.06 0.59 -0.27 0.87 -0.67 0.00 0.00 178.83 179.41 1d4a h LYS 89 N 0.46 0.65 -0.47 1.46 1.57 -1.01 -1.40 116.57 117.83 1d4a h LYS 89 Ca 0.09 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1d4a h LYS 89 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1d4a h LYS 89 CO 0.02 0.85 -0.03 0.87 -0.57 0.00 0.00 179.45 180.60 1d4a h LYS 90 N 0.56 0.85 -0.25 3.15 1.57 -1.17 -2.58 116.57 118.69 1d4a h LYS 90 Ca 0.07 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1d4a h LYS 90 Cb 0.75 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1d4a h LYS 90 CO 0.06 0.91 0.14 -0.07 -0.57 0.00 0.00 179.45 179.92 1d4a h LEU 91 N 0.69 0.31 -1.07 2.94 3.38 -1.12 -2.42 115.31 118.02 1d4a h LEU 91 Ca 0.13 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1d4a h LEU 91 Cb 0.55 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1d4a h LEU 91 CO 0.03 0.30 0.63 -0.33 0.09 0.00 0.00 178.44 179.15 1d4a h GLU 92 N 0.30 1.13 0.00 1.13 5.08 -1.20 -2.67 114.58 118.34 1d4a h GLU 92 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1d4a h GLU 92 Cb 0.05 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1d4a h GLU 92 CO -0.01 0.75 -0.14 0.00 -1.00 0.00 0.00 179.01 178.60 1d4a h ALA 93 N 1.46 0.95 -2.62 3.43 0.00 -1.20 -3.46 119.26 117.82 1d4a h ALA 93 Ca 0.40 -0.13 -0.52 0.00 0.00 0.00 0.00 54.91 54.66 1d4a h ALA 93 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1d4a h ALA 93 CO -0.14 0.18 0.16 0.00 0.00 0.00 0.00 179.25 179.45 1d4a s ALA 94 N -3.37 3.42 -0.20 0.00 0.00 -0.93 -4.77 121.76 115.90 1d4a s ALA 94 Ca 0.04 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1d4a s ALA 94 Cb 0.08 -2.91 -0.21 0.00 0.00 0.00 0.00 23.12 20.08 1d4a s ALA 94 CO 0.65 0.30 0.03 -0.25 0.00 0.00 0.00 175.76 176.49 1d4a n ASP 95 N 1.13 2.04 -4.30 0.00 8.00 0.72 -4.90 116.55 119.25 1d4a n ASP 95 Ca -0.04 0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1d4a n ASP 95 Cb 0.50 -0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 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 -6.85 2.16 -0.14 0.64 2.96 -0.70 -1.18 118.68 115.57 1d4a s LEU 96 Ca -0.30 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1d4a s LEU 96 Cb 0.08 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.39 1d4a s LEU 96 CO 0.66 0.26 -0.12 -0.69 -1.32 0.00 0.00 176.35 175.14 1d4a s VAL 97 N -0.23 1.42 -0.16 1.68 1.01 -0.23 -0.87 120.40 123.03 1d4a s VAL 97 Ca -0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1d4a s VAL 97 Cb -0.13 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1d4a s VAL 97 CO 0.03 0.43 -0.00 -0.63 0.00 0.00 0.00 175.10 174.93 1d4a s ILE 98 N 1.52 4.19 -0.32 2.22 1.01 -0.07 -1.53 121.20 128.23 1d4a s ILE 98 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1d4a s ILE 98 Cb -0.13 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.53 1d4a s ILE 98 CO -0.10 0.49 0.07 -0.36 0.00 0.00 0.00 174.94 175.04 1d4a s PHE 99 N 0.32 3.23 -0.26 3.97 0.08 -0.38 -0.09 117.98 124.85 1d4a s PHE 99 Ca -0.01 -1.46 -0.08 0.00 0.12 0.00 0.00 56.93 55.50 1d4a s PHE 99 Cb -0.13 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 1d4a s PHE 99 CO 0.02 -0.73 0.08 -1.14 -0.10 0.00 0.00 175.22 173.36 1d4a s GLN 100 N 1.38 3.60 0.02 0.44 2.00 -0.22 -0.25 119.66 126.63 1d4a s GLN 100 Ca -0.02 -0.52 -0.27 0.00 -2.00 0.00 0.00 55.36 52.55 1d4a s GLN 100 Cb -0.19 -3.36 0.09 0.00 0.80 0.00 0.00 33.01 30.35 1d4a s GLN 100 CO 0.02 -0.22 0.80 -0.59 -0.50 0.00 0.00 175.29 174.79 1d4a s PHE 101 N 1.61 -0.43 0.16 1.67 -0.71 -0.90 -1.60 117.98 117.78 1d4a s PHE 101 Ca 0.06 0.36 -0.22 0.00 -1.04 0.00 0.00 56.93 56.10 1d4a s PHE 101 Cb -0.15 0.53 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 1d4a s PHE 101 CO 0.04 -0.62 0.70 -1.25 -1.34 0.00 0.00 175.22 172.75 1d4a s PRO 102 N -2.95 4.36 0.10 1.99 0.04 -1.26 -2.25 135.00 135.02 1d4a s PRO 102 Ca 0.02 0.94 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 1d4a s PRO 102 Cb -0.01 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 1d4a s PRO 102 CO -0.08 0.54 1.44 -1.17 0.04 0.00 0.00 177.00 177.77 1d4a s LEU 103 N -1.40 4.36 -0.13 -3.56 2.96 0.76 -4.51 118.68 117.16 1d4a s LEU 103 Ca 0.36 2.34 -0.01 0.00 -0.22 0.00 0.00 54.13 56.61 1d4a s LEU 103 Cb -0.20 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.94 1d4a s LEU 103 CO 0.23 -0.71 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.38 1d4a s GLN 104 N 1.47 1.46 -1.21 1.98 -0.21 -0.44 -4.79 119.66 117.92 1d4a s GLN 104 Ca 0.66 -0.31 -0.15 0.00 0.02 0.00 0.00 55.36 55.58 1d4a s GLN 104 Cb -0.37 -1.68 -0.01 0.00 1.00 0.00 0.00 33.01 31.95 1d4a s GLN 104 CO 0.30 -0.32 0.70 0.91 -2.12 0.00 0.00 175.29 174.76 1d4a n TRP 105 N 4.93 -1.84 -2.48 0.91 7.02 -1.26 -1.67 117.44 123.05 1d4a n TRP 105 Ca -0.12 0.54 -0.14 0.00 -1.02 0.00 0.00 57.50 56.76 1d4a n TRP 105 Cb 0.49 -3.57 -0.01 0.00 -2.42 0.00 0.00 31.31 25.81 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 -4.25 -1.39 -2.16 -5.99 3.01 -1.26 -4.85 117.46 100.56 1d4a n PHE 106 Ca -0.16 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1d4a n PHE 106 Cb 0.62 -2.93 0.00 0.00 -0.01 0.00 0.00 39.48 37.16 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 -0.86 2.79 3.83 1.37 0.00 -0.67 -4.96 105.19 106.70 1d4a n GLY 107 Ca -0.15 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.95 4.63 0.60 1.61 1.01 -1.26 -1.33 120.40 122.71 1d4a s VAL 108 Ca 0.00 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.92 1d4a s VAL 108 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1d4a s VAL 108 CO 0.00 0.06 1.21 -2.65 0.00 0.00 0.00 175.10 173.72 1d4a n PRO 109 N 0.32 1.21 -0.27 2.72 -0.02 -1.26 -4.72 135.00 132.98 1d4a n PRO 109 Ca -0.00 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 1d4a n PRO 109 Cb 0.52 -2.43 0.42 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.77 1.94 0.00 3.55 0.00 -1.96 -0.99 119.26 122.58 1d4a h ALA 110 Ca -0.50 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1d4a h ALA 110 Cb 1.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1d4a h ALA 110 CO 0.53 -0.22 -0.38 0.97 0.00 0.00 0.00 179.25 180.15 1d4a h ILE 111 N 0.60 1.28 0.17 0.00 2.10 -1.95 -0.97 117.51 118.74 1d4a h ILE 111 Ca 0.48 -1.32 -0.30 0.00 1.08 0.00 0.00 64.86 64.80 1d4a h ILE 111 Cb 0.91 1.71 0.02 0.00 -1.09 0.00 0.00 36.82 38.37 1d4a h ILE 111 CO -0.22 0.38 -1.33 0.25 -1.08 0.00 0.00 178.15 176.14 1d4a h LEU 112 N 0.00 0.58 -0.94 2.19 6.46 -1.58 -2.65 115.31 119.36 1d4a h LEU 112 Ca -0.00 -0.62 -0.03 0.00 -0.12 0.00 0.00 57.88 57.11 1d4a h LEU 112 Cb 0.68 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 1d4a h LEU 112 CO 0.05 1.49 0.40 0.50 -0.62 0.00 0.00 178.44 180.25 1d4a h LYS 113 N 0.10 1.15 0.00 1.25 1.63 -0.91 -1.96 116.57 117.82 1d4a h LYS 113 Ca -0.18 -0.16 -0.10 0.00 -0.85 0.00 0.00 60.65 59.36 1d4a h LYS 113 Cb 2.05 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 33.45 1d4a h LYS 113 CO 0.23 0.88 -0.47 0.78 -3.45 0.00 0.00 179.45 177.42 1d4a h GLY 114 N 1.17 0.00 0.96 5.01 0.00 -1.21 -2.01 103.07 106.99 1d4a h GLY 114 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1d4a h GLY 114 CO -0.04 0.00 0.03 -0.25 0.00 0.00 0.00 176.54 176.29 1d4a h TRP 115 N 0.00 0.79 -0.06 5.60 7.01 -1.00 -1.47 115.95 126.82 1d4a h TRP 115 Ca -0.00 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.87 1d4a h TRP 115 Cb 0.90 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1d4a h TRP 115 CO 0.00 0.77 0.03 0.74 -2.79 0.00 0.00 178.44 177.19 1d4a h PHE 116 N 0.57 0.09 -0.81 2.65 0.04 -1.14 0.87 116.94 119.22 1d4a h PHE 116 Ca 0.12 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.93 1d4a h PHE 116 Cb 0.44 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 1d4a h PHE 116 CO 0.03 0.22 0.53 0.93 -0.60 0.00 0.00 178.31 179.42 1d4a h GLU 117 N -0.06 0.94 0.01 1.51 5.08 -1.29 0.50 114.58 121.27 1d4a h GLU 117 Ca 0.02 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.04 1d4a h GLU 117 Cb 0.16 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1d4a h GLU 117 CO -0.00 0.63 -1.62 0.00 -1.00 0.00 0.00 179.01 177.01 1d4a h ARG 118 N 0.97 0.01 0.08 2.33 3.08 -1.18 -3.41 114.38 116.26 1d4a h ARG 118 Ca 0.33 -0.02 -0.37 0.00 0.07 0.00 0.00 59.98 60.00 1d4a h ARG 118 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1d4a h ARG 118 CO -0.10 0.58 -2.10 0.28 -1.07 0.00 0.00 179.97 177.56 1d4a n VAL 119 N -3.10 1.69 -1.84 2.04 0.31 0.29 -4.54 118.33 113.17 1d4a n VAL 119 Ca -0.15 -0.65 -0.42 0.00 -0.01 0.00 0.00 64.34 63.10 1d4a n VAL 119 Cb 1.04 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1d4a n VAL 119 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1d4a n PHE 120 N -3.37 3.53 -3.06 3.52 3.01 0.15 -4.85 117.46 116.40 1d4a n PHE 120 Ca -0.34 -2.95 -0.33 0.00 1.01 0.00 0.00 57.45 54.84 1d4a n PHE 120 Cb 1.04 -2.49 -0.06 0.00 -0.01 0.00 0.00 39.48 37.95 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 2.92 4.60 0.56 4.37 1.01 -1.26 -4.81 121.20 128.59 1d4a s ILE 121 Ca 0.46 1.11 -0.18 0.00 0.00 0.00 0.00 60.65 62.04 1d4a s ILE 121 Cb 0.13 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 1d4a s ILE 121 CO -0.07 -0.16 0.53 0.61 0.00 0.00 0.00 174.94 175.85 1d4a n GLY 122 N -0.28 -1.49 5.00 6.18 0.00 -1.26 -1.33 105.19 112.01 1d4a n GLY 122 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.01 0.00 0.10 1.61 4.07 0.15 -4.50 120.64 122.07 1d4a n GLU 123 Ca 0.12 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.08 1d4a n GLU 123 Cb 0.47 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.77 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 -0.21 0.00 4.31 3.57 -1.91 -3.38 116.94 119.32 1d4a h PHE 124 Ca 0.00 -0.01 -0.35 0.00 3.53 0.00 0.00 57.97 61.14 1d4a h PHE 124 Cb 0.00 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 1d4a h PHE 124 CO 0.00 0.05 -2.32 0.00 -2.23 0.00 0.00 178.31 173.81 1d4a n ALA 125 N -2.32 1.52 -2.91 2.41 0.00 -0.44 -4.82 120.51 113.95 1d4a n ALA 125 Ca -0.09 -1.25 -0.11 0.00 0.00 0.00 0.00 53.44 51.99 1d4a n ALA 125 Cb 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.47 -0.09 -0.09 0.00 1.13 -1.26 -4.21 117.35 110.36 1d4a s TYR 126 Ca -0.11 -0.16 -0.07 0.00 -1.41 0.00 0.00 57.07 55.31 1d4a s TYR 126 Cb 0.06 0.12 0.03 0.00 -1.10 0.00 0.00 41.96 41.07 1d4a s TYR 126 CO 0.77 -0.58 0.24 0.99 -2.51 0.00 0.00 175.55 174.46 1d4a s THR 127 N -3.25 -0.02 -0.61 -3.49 2.01 -1.26 0.32 115.64 109.35 1d4a s THR 127 Ca -0.00 0.06 0.21 0.00 0.31 0.00 0.00 61.69 62.27 1d4a s THR 127 Cb 0.01 -0.35 0.22 0.00 0.01 0.00 0.00 72.50 72.39 1d4a s THR 127 CO -0.08 0.02 1.65 -1.22 -0.69 0.00 0.00 174.62 174.31 1d4a n TYR 128 N 3.47 0.62 0.35 4.92 4.01 -1.26 -1.77 117.16 127.49 1d4a n TYR 128 Ca -0.18 0.24 0.12 0.00 -0.16 0.00 0.00 57.90 57.93 1d4a n TYR 128 Cb 0.56 -0.89 0.21 0.00 -0.31 0.00 0.00 39.34 38.91 1d4a n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1d4a h ALA 129 N 2.32 0.88 -1.57 -0.72 0.00 -1.97 -3.38 119.26 114.82 1d4a h ALA 129 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1d4a h ALA 129 Cb 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.83 1d4a h ALA 129 CO 0.00 0.00 -0.85 0.00 0.00 0.00 0.00 179.25 178.40 1d4a n ALA 130 N -2.00 1.10 -1.92 0.00 0.00 -0.73 -5.10 120.51 111.86 1d4a n ALA 130 Ca 0.04 -2.52 -0.31 0.00 0.00 0.00 0.00 53.44 50.65 1d4a n ALA 130 Cb 0.50 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.08 3.70 2.31 0.00 1.00 -1.13 -2.77 119.30 122.33 1d4a s MET 131 Ca 0.33 0.74 0.00 0.00 0.00 0.00 0.00 55.69 56.75 1d4a s MET 131 Cb 0.11 -2.14 0.00 0.00 0.00 0.00 0.00 34.83 32.80 1d4a s MET 131 CO -0.15 -0.43 0.00 0.66 0.00 0.00 0.00 175.02 175.10 1d4a n TYR 132 N -2.32 0.00 0.15 -0.03 4.01 -0.76 -2.11 117.16 116.11 1d4a n TYR 132 Ca 0.05 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.85 1d4a n TYR 132 Cb 0.54 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.89 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 3.17 0.30 -1.00 7.72 5.75 -1.26 0.12 116.55 131.36 1d4a n ASP 133 Ca 0.00 0.52 0.09 0.00 -0.01 0.00 0.00 54.79 55.40 1d4a n ASP 133 Cb 0.00 -0.46 0.22 0.00 -1.03 0.00 0.00 41.12 39.85 1d4a n ASP 133 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1d4a n LYS 134 N -1.99 2.54 -0.81 0.11 4.76 -0.90 -4.80 118.16 117.07 1d4a n LYS 134 Ca -0.01 -2.25 -0.28 0.00 -2.87 0.00 0.00 58.31 52.90 1d4a n LYS 134 Cb 0.34 -1.43 0.23 0.00 -1.84 0.00 0.00 35.03 32.33 1d4a n LYS 134 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1d4a s GLY 135 N -1.11 1.54 0.49 0.72 0.00 0.12 -4.66 107.32 104.41 1d4a s GLY 135 Ca 0.35 -0.34 0.18 0.00 0.00 0.00 0.00 44.72 44.91 1d4a s GLY 135 CO 0.26 0.38 2.03 -2.55 0.00 0.00 0.00 173.10 173.22 1d4a h PRO 136 N -2.42 0.17 -0.68 2.90 0.11 -1.67 -2.64 132.00 127.77 1d4a h PRO 136 Ca -0.58 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.43 1d4a h PRO 136 Cb 1.34 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 1d4a h PRO 136 CO 0.52 0.11 0.12 1.19 -0.21 0.00 0.00 178.00 179.73 1d4a n PHE 137 N -4.46 2.14 0.27 0.65 3.72 -0.27 -4.59 117.46 114.92 1d4a n PHE 137 Ca 0.06 -0.89 0.17 0.00 -0.05 0.00 0.00 57.45 56.74 1d4a n PHE 137 Cb 0.36 -0.57 0.91 0.00 -0.94 0.00 0.00 39.48 39.24 1d4a n PHE 137 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1d4a h ARG 138 N 3.21 0.00 -0.27 -1.08 0.11 -1.37 0.16 114.38 115.14 1d4a h ARG 138 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1d4a h ARG 138 Cb 2.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.14 1d4a h ARG 138 CO 0.57 0.00 0.00 0.43 0.10 0.00 0.00 179.97 181.07 1d4a n SER 139 N -2.72 2.79 -4.76 0.08 7.64 -1.26 -4.72 113.62 110.67 1d4a n SER 139 Ca -0.02 -1.89 -0.22 0.00 1.01 0.00 0.00 58.87 57.74 1d4a n SER 139 Cb 0.12 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.66 2.69 -0.04 1.43 1.02 0.55 -4.95 119.74 118.78 1d4a s LYS 140 Ca 0.35 -1.20 0.05 0.00 0.02 0.00 0.00 55.97 55.19 1d4a s LYS 140 Cb 0.21 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1d4a s LYS 140 CO 0.30 0.37 -0.19 0.15 -0.92 0.00 0.00 175.35 175.06 1d4a s LYS 141 N -3.79 1.79 0.06 1.68 1.02 -0.33 -1.92 119.74 118.25 1d4a s LYS 141 Ca 0.33 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.74 1d4a s LYS 141 Cb -0.07 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1d4a s LYS 141 CO 0.23 0.31 -0.22 0.00 -0.92 0.00 0.00 175.35 174.75 1d4a s ALA 142 N -0.13 1.92 -0.00 5.17 0.00 -0.27 -1.06 121.76 127.38 1d4a s ALA 142 Ca -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1d4a s ALA 142 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1d4a s ALA 142 CO 0.01 0.43 -0.01 0.08 0.00 0.00 0.00 175.76 176.27 1d4a s VAL 143 N -0.88 0.09 -0.21 0.00 1.01 -0.58 -0.50 120.40 119.33 1d4a s VAL 143 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1d4a s VAL 143 Cb -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1d4a s VAL 143 CO 0.03 0.04 0.14 -0.76 0.00 0.00 0.00 175.10 174.54 1d4a s LEU 144 N 0.09 4.17 -0.35 3.92 1.43 -1.26 -1.25 118.68 125.43 1d4a s LEU 144 Ca -0.01 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1d4a s LEU 144 Cb -0.02 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.19 1d4a s LEU 144 CO -0.00 0.15 0.08 -0.55 0.23 0.00 0.00 176.35 176.25 1d4a s SER 145 N 0.57 4.97 -0.04 2.29 0.15 0.65 -0.47 113.70 121.82 1d4a s SER 145 Ca 0.08 -1.75 0.02 0.00 0.70 0.00 0.00 55.95 55.00 1d4a s SER 145 Cb -0.12 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 1d4a s SER 145 CO -0.00 -0.39 -0.08 -0.63 1.20 0.00 0.00 173.24 173.35 1d4a s ILE 146 N 1.13 3.61 0.02 6.45 1.01 0.15 -2.13 121.20 131.44 1d4a s ILE 146 Ca 0.03 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1d4a s ILE 146 Cb -0.21 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1d4a s ILE 146 CO -0.04 0.53 -0.11 0.42 0.00 0.00 0.00 174.94 175.74 1d4a s THR 147 N -0.87 3.33 0.12 2.92 -4.23 -0.95 -0.73 115.64 115.23 1d4a s THR 147 Ca 0.14 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1d4a s THR 147 Cb -0.11 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1d4a s THR 147 CO 0.03 0.36 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.46 1d4a s THR 148 N -0.98 1.23 -0.09 3.99 2.01 -0.54 -0.17 115.64 121.09 1d4a s THR 148 Ca 0.16 -1.70 -0.16 0.00 0.31 0.00 0.00 61.69 60.31 1d4a s THR 148 Cb -0.11 -1.49 -0.28 0.00 0.01 0.00 0.00 72.50 70.63 1d4a s THR 148 CO 0.07 -0.46 0.62 1.23 -0.69 0.00 0.00 174.62 175.39 1d4a h GLY 149 N 3.52 0.31 -1.62 4.40 0.00 -1.89 -1.63 103.07 106.17 1d4a h GLY 149 Ca -0.39 -0.80 -0.50 0.00 0.00 0.00 0.00 47.33 45.64 1d4a h GLY 149 CO 0.51 0.70 0.37 -0.32 0.00 0.00 0.00 176.54 177.81 1d4a s GLY 150 N -4.92 2.02 0.68 4.60 0.00 -1.26 -3.88 107.32 104.56 1d4a s GLY 150 Ca -0.18 0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.78 1d4a s GLY 150 CO 0.79 0.68 1.07 -1.35 0.00 0.00 0.00 173.10 174.29 1d4a s SER 151 N -2.97 5.69 0.42 1.64 1.04 -1.26 -1.31 113.70 116.95 1d4a s SER 151 Ca 0.63 1.31 0.10 0.00 0.48 0.00 0.00 55.95 58.47 1d4a s SER 151 Cb -0.17 -2.21 0.93 0.00 0.10 0.00 0.00 66.02 64.67 1d4a s SER 151 CO 0.42 -1.20 2.03 1.23 0.98 0.00 0.00 173.24 176.70 1d4a h GLY 152 N -0.56 0.57 1.20 7.32 0.00 -1.96 -2.20 103.07 107.44 1d4a h GLY 152 Ca -0.45 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1d4a h GLY 152 CO 0.62 0.17 -0.04 1.48 0.00 0.00 0.00 176.54 178.77 1d4a h SER 153 N 0.49 0.93 -0.30 0.19 4.64 -1.97 -2.03 113.55 115.50 1d4a h SER 153 Ca 0.19 -0.27 0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1d4a h SER 153 Cb 0.16 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1d4a h SER 153 CO -0.05 1.01 0.24 0.24 -0.87 0.00 0.00 176.83 177.40 1d4a h MET 154 N 0.87 0.00 -0.61 4.77 2.07 -1.77 -1.53 114.93 118.73 1d4a h MET 154 Ca 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 1d4a h MET 154 Cb 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.29 1d4a h MET 154 CO 0.03 0.00 0.00 0.66 1.07 0.00 0.00 176.91 178.67 1d4a n TYR 155 N -4.26 1.14 -2.14 -0.22 4.01 -0.80 -2.14 117.16 112.75 1d4a n TYR 155 Ca 0.04 -0.57 -0.28 0.00 -0.16 0.00 0.00 57.90 56.93 1d4a n TYR 155 Cb 0.40 -0.14 0.18 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.02 3.29 0.45 7.72 1.04 -0.58 -2.05 113.70 122.56 1d4a s SER 156 Ca 0.46 -0.01 0.13 0.00 0.48 0.00 0.00 55.95 57.01 1d4a s SER 156 Cb 0.27 -0.06 1.04 0.00 0.10 0.00 0.00 66.02 67.38 1d4a s SER 156 CO 0.25 -2.60 2.04 -0.07 0.98 0.00 0.00 173.24 173.85 1d4a h LEU 157 N -1.40 0.30 -3.30 2.42 3.38 -1.86 -2.59 115.31 112.26 1d4a h LEU 157 Ca -0.41 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1d4a h LEU 157 Cb 1.23 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1d4a h LEU 157 CO 0.35 0.20 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1d4a n GLN 158 N -4.48 3.49 -3.05 1.13 0.00 -1.26 -4.64 117.38 108.57 1d4a n GLN 158 Ca 0.05 -2.87 -0.29 0.00 0.00 0.00 0.00 57.00 53.89 1d4a n GLN 158 Cb 0.22 -1.91 -0.02 0.00 0.00 0.00 0.00 30.24 28.52 1d4a n GLN 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1d4a s GLY 159 N -1.49 1.78 0.33 2.61 0.00 -0.98 -4.99 107.32 104.58 1d4a s GLY 159 Ca 0.45 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.77 1d4a s GLY 159 CO 0.12 -0.31 1.87 0.16 0.00 0.00 0.00 173.10 174.94 1d4a h ILE 160 N 1.02 0.88 -0.12 0.90 -0.00 -1.83 -1.79 117.51 116.58 1d4a h ILE 160 Ca -0.48 -0.28 -0.12 0.00 -0.00 0.00 0.00 64.86 63.99 1d4a h ILE 160 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 38.00 1d4a h ILE 160 CO 0.64 0.15 -0.46 0.45 -0.00 0.00 0.00 178.15 178.93 1d4a h HIS 161 N 0.81 0.34 0.00 0.16 3.86 -1.79 -3.50 115.15 115.04 1d4a h HIS 161 Ca 0.45 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1d4a h HIS 161 Cb 0.59 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1d4a h HIS 161 CO -0.00 0.70 0.00 0.41 0.86 0.00 0.00 177.93 179.89 1d4a n GLY 162 N -0.05 0.83 3.69 2.45 0.00 -0.67 -4.98 105.19 106.46 1d4a n GLY 162 Ca -0.02 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1d4a n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d4a s ASP 163 N 0.00 6.43 0.52 1.61 2.15 -1.23 -4.11 116.67 122.05 1d4a s ASP 163 Ca 0.00 2.75 0.27 0.00 0.43 0.00 0.00 52.55 56.00 1d4a s ASP 163 Cb 0.00 -2.57 1.45 0.00 -0.30 0.00 0.00 42.92 41.50 1d4a s ASP 163 CO 0.00 -0.99 2.07 -0.03 -0.17 0.00 0.00 175.17 176.05 1d4a h MET 164 N 8.34 0.00 -0.25 4.34 1.85 -1.70 -2.45 114.93 125.05 1d4a h MET 164 Ca -0.45 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.61 1d4a h MET 164 Cb 1.21 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 1d4a h MET 164 CO 0.95 0.11 0.05 -0.91 -0.40 0.00 0.00 176.91 176.71 1d4a h ASN 165 N 0.00 0.33 0.34 1.39 2.35 -1.90 -0.85 115.58 117.24 1d4a h ASN 165 Ca -0.00 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 1d4a h ASN 165 Cb 0.33 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1d4a h ASN 165 CO 0.01 0.35 -0.68 0.58 -1.65 0.00 0.00 177.43 176.05 1d4a h VAL 166 N 0.36 1.40 -0.32 2.81 2.07 -1.83 -2.51 116.25 118.22 1d4a h VAL 166 Ca 0.09 -2.11 -0.17 0.00 0.82 0.00 0.00 66.70 65.32 1d4a h VAL 166 Cb 0.17 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1d4a h VAL 166 CO -0.00 0.63 -0.48 0.40 0.02 0.00 0.00 177.57 178.14 1d4a h ILE 167 N 0.21 1.28 -0.09 4.57 2.04 -1.42 -3.22 117.51 120.87 1d4a h ILE 167 Ca -0.02 -1.66 -0.13 0.00 1.00 0.00 0.00 64.86 64.05 1d4a h ILE 167 Cb 1.22 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1d4a h ILE 167 CO 0.11 0.55 -0.52 -0.07 0.00 0.00 0.00 178.15 178.21 1d4a h LEU 168 N 0.69 0.27 -0.40 1.44 3.38 -1.14 -3.37 115.31 116.18 1d4a h LEU 168 Ca 0.03 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1d4a h LEU 168 Cb 1.07 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1d4a h LEU 168 CO 0.11 0.75 -0.40 -0.25 0.09 0.00 0.00 178.44 178.73 1d4a h TRP 169 N 0.19 -1.16 -0.94 1.13 2.91 -1.46 -1.33 115.95 115.29 1d4a h TRP 169 Ca 0.00 0.07 0.21 0.00 1.13 0.00 0.00 58.89 60.30 1d4a h TRP 169 Cb 0.99 0.57 -0.08 0.00 -0.51 0.00 0.00 29.16 30.13 1d4a h TRP 169 CO 0.02 -0.43 0.61 -1.35 -1.03 0.00 0.00 178.44 176.26 1d4a h PRO 170 N -0.31 0.47 0.02 2.65 0.11 -1.75 -0.59 132.00 132.59 1d4a h PRO 170 Ca 0.15 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1d4a h PRO 170 Cb 0.58 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1d4a h PRO 170 CO -0.56 0.31 -0.01 0.82 -0.21 0.00 0.00 178.00 178.35 1d4a h ILE 171 N 0.49 0.73 -0.43 4.15 2.04 -1.62 -2.32 117.51 120.54 1d4a h ILE 171 Ca 0.51 -1.51 -0.13 0.00 1.00 0.00 0.00 64.86 64.73 1d4a h ILE 171 Cb 1.15 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1d4a h ILE 171 CO -0.23 0.24 -0.26 1.56 0.00 0.00 0.00 178.15 179.46 1d4a h GLN 172 N -0.99 0.92 0.00 2.37 4.20 -1.14 -1.83 115.11 118.63 1d4a h GLN 172 Ca -0.00 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 58.22 1d4a h GLN 172 Cb 0.41 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1d4a h GLN 172 CO 0.00 1.06 -0.73 1.03 -0.67 0.00 0.00 178.83 179.52 1d4a h SER 173 N 0.78 0.00 -0.65 1.46 0.87 -1.30 0.81 113.55 115.53 1d4a h SER 173 Ca 0.09 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1d4a h SER 173 Cb 0.82 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 1d4a h SER 173 CO 0.07 1.01 0.43 1.23 -0.53 0.00 0.00 176.83 179.04 1d4a h GLY 174 N -1.00 0.90 0.00 5.77 0.00 -1.36 -1.45 103.07 105.92 1d4a h GLY 174 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1d4a h GLY 174 CO -0.07 0.30 -0.72 1.39 0.00 0.00 0.00 176.54 177.43 1d4a n ILE 175 N -4.45 1.24 0.36 2.60 5.41 -0.81 -4.46 119.36 119.25 1d4a n ILE 175 Ca 0.07 0.22 -0.16 0.00 1.00 0.00 0.00 62.75 63.88 1d4a n ILE 175 Cb 0.09 -2.12 -0.08 0.00 -0.71 0.00 0.00 39.64 36.82 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 -0.72 -0.80 -1.02 1.39 3.38 -1.41 -3.19 115.31 112.94 1d4a h LEU 176 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1d4a h LEU 176 Cb 0.72 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1d4a h LEU 176 CO 0.00 -0.44 -0.12 -0.74 0.09 0.00 0.00 178.44 177.23 1d4a h HIS 177 N -1.18 0.61 -0.79 1.13 2.76 -0.80 -2.68 115.15 114.21 1d4a h HIS 177 Ca -0.10 -0.10 0.15 0.00 -2.20 0.00 0.00 60.37 58.13 1d4a h HIS 177 Cb 0.74 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 1d4a h HIS 177 CO 0.00 0.67 0.52 0.35 -1.30 0.00 0.00 177.93 178.17 1d4a h PHE 178 N 0.52 0.55 -0.02 5.26 3.57 -1.33 0.15 116.94 125.64 1d4a h PHE 178 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1d4a h PHE 178 Cb 0.52 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1d4a h PHE 178 CO 0.02 0.20 0.00 0.00 -2.23 0.00 0.00 178.31 176.30 1d4a n GLY 180 N 1.12 1.43 3.68 0.00 0.00 0.54 -1.11 105.19 110.85 1d4a n GLY 180 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.35 1.96 -3.20 1.61 3.72 -1.04 -3.00 117.46 116.17 1d4a n PHE 181 Ca 0.00 0.52 -0.40 0.00 -0.05 0.00 0.00 57.45 57.52 1d4a n PHE 181 Cb 0.00 -2.35 -0.07 0.00 -0.94 0.00 0.00 39.48 36.12 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 -2.12 4.11 -0.24 -1.08 -0.21 -0.81 -4.31 119.66 115.00 1d4a s GLN 182 Ca 0.61 0.40 -0.14 0.00 0.02 0.00 0.00 55.36 56.25 1d4a s GLN 182 Cb -0.53 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 29.81 1d4a s GLN 182 CO 0.58 -0.33 0.34 0.08 -2.12 0.00 0.00 175.29 173.84 1d4a s VAL 183 N 2.22 5.23 0.60 1.09 1.01 -1.26 -1.12 120.40 128.16 1d4a s VAL 183 Ca 0.23 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1d4a s VAL 183 Cb -0.16 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1d4a s VAL 183 CO 0.09 0.24 0.90 -0.76 0.00 0.00 0.00 175.10 175.56 1d4a s LEU 184 N 1.54 3.18 0.24 3.92 1.43 0.34 -0.51 118.68 128.83 1d4a s LEU 184 Ca 0.15 0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 53.51 1d4a s LEU 184 Cb -0.15 -3.37 -0.13 0.00 0.03 0.00 0.00 46.19 42.57 1d4a s LEU 184 CO 0.08 -1.15 1.45 -0.62 0.23 0.00 0.00 176.35 176.34 1d4a n GLU 185 N -2.59 2.15 -2.41 1.70 1.02 -1.26 -4.66 120.64 114.59 1d4a n GLU 185 Ca 0.05 0.77 -0.37 0.00 -0.02 0.00 0.00 57.16 57.58 1d4a n GLU 185 Cb 0.58 -2.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 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 -0.33 4.10 -0.46 3.49 0.04 -1.26 -4.70 135.00 135.88 1d4a s PRO 186 Ca 0.68 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 63.20 1d4a s PRO 186 Cb -0.63 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1d4a s PRO 186 CO 0.49 -0.24 0.67 -1.14 0.04 0.00 0.00 177.00 176.82 1d4a s GLN 187 N -2.38 3.26 -0.24 4.56 2.00 0.38 -5.00 119.66 122.25 1d4a s GLN 187 Ca 0.57 -0.44 -0.07 0.00 -2.00 0.00 0.00 55.36 53.43 1d4a s GLN 187 Cb -0.27 -3.98 -0.03 0.00 0.80 0.00 0.00 33.01 29.53 1d4a s GLN 187 CO 0.33 -1.09 0.05 -0.51 -0.50 0.00 0.00 175.29 173.57 1d4a s LEU 188 N 2.91 3.36 -0.46 3.68 1.43 -1.26 -0.68 118.68 127.66 1d4a s LEU 188 Ca 0.22 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1d4a s LEU 188 Cb -0.15 -1.89 0.12 0.00 0.03 0.00 0.00 46.19 44.31 1d4a s LEU 188 CO 0.18 -0.01 0.22 0.42 0.23 0.00 0.00 176.35 177.39 1d4a s THR 189 N 1.46 2.83 0.53 5.49 -4.23 0.09 -5.00 115.64 116.81 1d4a s THR 189 Ca 0.05 -2.72 -0.18 0.00 -1.18 0.00 0.00 61.69 57.66 1d4a s THR 189 Cb -0.15 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.66 1d4a s THR 189 CO 0.02 -0.73 1.04 -0.31 -0.54 0.00 0.00 174.62 174.10 1d4a s TYR 190 N 0.39 3.03 -0.96 3.99 2.02 -1.26 -1.47 117.35 123.08 1d4a s TYR 190 Ca 0.13 1.54 -0.13 0.00 -0.37 0.00 0.00 57.07 58.25 1d4a s TYR 190 Cb -0.22 -3.02 0.02 0.00 -0.40 0.00 0.00 41.96 38.34 1d4a s TYR 190 CO -0.04 -0.90 0.25 -1.13 -1.57 0.00 0.00 175.55 172.16 1d4a n SER 191 N -1.42 -1.17 0.28 2.29 3.41 -0.43 -4.80 113.62 111.77 1d4a n SER 191 Ca 0.09 -0.91 0.11 0.00 -0.26 0.00 0.00 58.87 57.90 1d4a n SER 191 Cb 0.53 -1.11 0.75 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.94 0.80 0.00 -1.33 6.09 -1.58 -0.74 117.51 119.82 1d4a h ILE 192 Ca -0.48 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1d4a h ILE 192 Cb 0.98 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.27 1d4a h ILE 192 CO 0.43 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.12 1d4a n GLY 193 N -1.45 -1.21 0.26 8.18 0.00 -1.26 -2.93 105.19 106.77 1d4a n GLY 193 Ca -0.03 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1d4a n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d4a n HIS 194 N -1.40 0.20 -3.41 1.61 8.25 -0.29 -5.01 115.22 115.17 1d4a n HIS 194 Ca 0.08 -0.59 -0.38 0.00 -0.26 0.00 0.00 57.72 56.57 1d4a n HIS 194 Cb 0.24 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.38 5.21 0.61 1.59 2.01 -1.14 -5.06 115.64 117.47 1d4a s THR 195 Ca 0.14 0.69 -0.18 0.00 0.31 0.00 0.00 61.69 62.65 1d4a s THR 195 Cb 0.10 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1d4a s THR 195 CO 0.05 0.27 0.84 -2.65 -0.69 0.00 0.00 174.62 172.45 1d4a n PRO 196 N 4.31 0.74 -0.20 4.92 -0.02 -1.26 -4.67 135.00 138.83 1d4a n PRO 196 Ca -0.09 0.29 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1d4a n PRO 196 Cb 0.51 -2.04 0.46 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.33 2.02 -0.14 3.55 0.00 -1.99 -0.12 119.26 122.91 1d4a h ALA 197 Ca -0.48 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1d4a h ALA 197 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1d4a h ALA 197 CO 0.49 -0.23 -0.73 0.38 0.00 0.00 0.00 179.25 179.16 1d4a h ASP 198 N 0.51 0.76 -0.50 0.00 2.03 -2.00 -2.43 116.42 114.79 1d4a h ASP 198 Ca 0.39 -0.49 -0.12 0.00 -0.73 0.00 0.00 57.03 56.09 1d4a h ASP 198 Cb 0.79 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 39.05 1d4a h ASP 198 CO -0.14 1.26 -0.13 0.00 -1.03 0.00 0.00 179.24 179.20 1d4a h ALA 199 N 0.73 0.78 -0.79 4.15 0.00 -1.64 -2.11 119.26 120.38 1d4a h ALA 199 Ca -0.04 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1d4a h ALA 199 Cb 1.33 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1d4a h ALA 199 CO 0.14 0.67 0.52 0.00 0.00 0.00 0.00 179.25 180.58 1d4a h ARG 200 N 0.88 0.95 -0.40 0.00 3.08 -0.99 0.81 114.38 118.72 1d4a h ARG 200 Ca 0.13 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1d4a h ARG 200 Cb 0.69 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1d4a h ARG 200 CO 0.05 0.63 0.12 0.82 -1.07 0.00 0.00 179.97 180.52 1d4a h ILE 201 N 0.98 1.22 0.00 2.04 1.08 -0.97 -2.46 117.51 119.39 1d4a h ILE 201 Ca 0.31 -0.72 -0.11 0.00 -0.39 0.00 0.00 64.86 63.96 1d4a h ILE 201 Cb 0.02 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 1d4a h ILE 201 CO -0.09 0.25 -0.51 1.56 -0.69 0.00 0.00 178.15 178.67 1d4a h GLN 202 N 0.50 0.00 -0.44 2.37 1.08 -0.71 -2.32 115.11 115.59 1d4a h GLN 202 Ca 0.13 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1d4a h GLN 202 Cb 0.26 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1d4a h GLN 202 CO -0.00 0.51 0.17 0.82 -0.95 0.00 0.00 178.83 179.38 1d4a h ILE 203 N 0.00 1.20 -0.67 2.54 2.04 -0.64 0.11 117.51 122.10 1d4a h ILE 203 Ca -0.01 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 1d4a h ILE 203 Cb 0.98 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1d4a h ILE 203 CO 0.07 0.23 0.15 -0.07 0.00 0.00 0.00 178.15 178.53 1d4a h LEU 204 N 0.57 1.01 -0.67 1.44 3.38 -1.21 -2.32 115.31 117.50 1d4a h LEU 204 Ca 0.15 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1d4a h LEU 204 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1d4a h LEU 204 CO -0.01 0.98 -0.57 -0.33 0.09 0.00 0.00 178.44 178.60 1d4a h GLU 205 N 1.01 0.28 0.00 1.13 4.39 -1.14 -2.45 114.58 117.80 1d4a h GLU 205 Ca 0.21 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 1d4a h GLU 205 Cb 0.37 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1d4a h GLU 205 CO 0.00 0.78 -0.45 0.78 -1.16 0.00 0.00 179.01 178.95 1d4a h GLY 206 N 1.38 0.00 0.62 -3.84 0.00 -0.58 -0.51 103.07 100.14 1d4a h GLY 206 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1d4a h GLY 206 CO 0.09 0.00 -0.25 -0.25 0.00 0.00 0.00 176.54 176.13 1d4a h TRP 207 N 0.00 0.37 -0.84 5.60 -0.00 -1.29 -1.92 115.95 117.86 1d4a h TRP 207 Ca -0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.89 58.72 1d4a h TRP 207 Cb 0.91 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 1d4a h TRP 207 CO 0.00 0.88 0.49 0.87 -0.00 0.00 0.00 178.44 180.68 1d4a h LYS 208 N -0.25 1.15 -0.55 2.65 1.57 -1.30 -1.30 116.57 118.55 1d4a h LYS 208 Ca -0.02 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1d4a h LYS 208 Cb 0.90 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1d4a h LYS 208 CO 0.05 0.82 0.20 -0.22 -0.57 0.00 0.00 179.45 179.73 1d4a h LYS 209 N 1.17 0.83 -0.64 3.15 3.11 -1.05 -2.91 116.57 120.23 1d4a h LYS 209 Ca 0.30 -0.16 -0.06 0.00 -2.81 0.00 0.00 60.65 57.92 1d4a h LYS 209 Cb -0.02 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.05 1d4a h LYS 209 CO -0.05 0.74 0.18 -0.09 -2.81 0.00 0.00 179.45 177.42 1d4a h ARG 210 N 0.75 1.02 0.00 1.90 2.43 -0.82 -2.69 114.38 116.97 1d4a h ARG 210 Ca 0.18 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1d4a h ARG 210 Cb 0.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1d4a h ARG 210 CO -0.01 0.91 0.00 -0.07 -1.51 0.00 0.00 179.97 179.28 1d4a h LEU 211 N 0.94 0.00 -1.49 3.80 3.38 -1.05 -2.59 115.31 118.30 1d4a h LEU 211 Ca 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1d4a h LEU 211 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1d4a h LEU 211 CO -0.00 0.00 -0.16 -0.33 0.09 0.00 0.00 178.44 178.04 1d4a h GLU 212 N 0.00 0.13 0.00 1.13 5.08 -1.38 -3.20 114.58 116.34 1d4a h GLU 212 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1d4a h GLU 212 Cb 0.08 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1d4a h GLU 212 CO 0.00 0.29 -0.35 0.09 -1.00 0.00 0.00 179.01 178.04 1d4a n ASN 213 N -4.29 1.49 -0.28 1.42 3.02 -1.00 -4.88 115.26 110.74 1d4a n ASN 213 Ca -0.01 -2.87 0.04 0.00 -0.03 0.00 0.00 54.58 51.70 1d4a n ASN 213 Cb 0.26 -0.38 0.18 0.00 -0.61 0.00 0.00 39.78 39.23 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 2.73 0.85 0.00 2.41 6.09 -1.49 -2.74 117.51 125.36 1d4a h ILE 214 Ca -0.03 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.20 1d4a h ILE 214 Cb 1.20 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.56 1d4a h ILE 214 CO 0.01 0.13 -0.11 -0.25 -3.07 0.00 0.00 178.15 174.87 1d4a h TRP 215 N 0.71 0.00 -0.06 2.19 2.91 -1.89 -2.58 115.95 117.23 1d4a h TRP 215 Ca 0.41 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.43 1d4a h TRP 215 Cb 0.44 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 1d4a h TRP 215 CO -0.08 0.11 0.00 -0.25 -1.03 0.00 0.00 178.44 177.19 1d4a n ASP 216 N -4.23 1.29 -4.79 2.65 8.00 -1.03 -4.93 116.55 113.51 1d4a n ASP 216 Ca -0.03 -1.51 -0.33 0.00 0.71 0.00 0.00 54.79 53.64 1d4a n ASP 216 Cb 0.19 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.93 3.13 -0.07 -1.24 2.02 -0.97 -5.00 118.70 114.64 1d4a s GLU 217 Ca 0.37 1.33 -0.24 0.00 0.02 0.00 0.00 54.97 56.44 1d4a s GLU 217 Cb 0.19 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1d4a s GLU 217 CO 0.31 -0.98 0.75 0.95 0.02 0.00 0.00 175.26 176.32 1d4a s THR 218 N -2.32 5.00 0.87 3.63 -4.23 -1.26 -5.04 115.64 112.29 1d4a s THR 218 Ca 0.66 1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 62.60 1d4a s THR 218 Cb -0.19 -4.09 0.11 0.00 1.34 0.00 0.00 72.50 69.68 1d4a s THR 218 CO 0.37 0.21 1.09 -2.16 -0.54 0.00 0.00 174.62 173.60 1d4a s PRO 219 N 0.99 1.48 0.86 3.99 0.04 -1.26 -4.70 135.00 136.40 1d4a s PRO 219 Ca 0.39 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1d4a s PRO 219 Cb -0.18 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1d4a s PRO 219 CO 0.19 -2.09 1.15 -0.51 0.04 0.00 0.00 177.00 175.78 1d4a s LEU 220 N -6.12 2.97 -0.21 -3.56 1.43 0.33 -4.58 118.68 108.94 1d4a s LEU 220 Ca 0.63 2.18 -0.14 0.00 -1.03 0.00 0.00 54.13 55.77 1d4a s LEU 220 Cb -0.17 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.44 1d4a s LEU 220 CO 0.56 -2.80 0.31 -0.47 0.23 0.00 0.00 176.35 174.18 1d4a s TYR 221 N -2.54 3.37 0.05 0.29 5.04 -1.26 -4.81 117.35 117.49 1d4a s TYR 221 Ca 0.68 0.49 0.06 0.00 -2.44 0.00 0.00 57.07 55.87 1d4a s TYR 221 Cb -0.24 -2.41 -0.02 0.00 0.35 0.00 0.00 41.96 39.64 1d4a s TYR 221 CO 0.55 0.06 -0.18 -0.06 -1.34 0.00 0.00 175.55 174.58 1d4a s PHE 222 N 1.07 1.60 0.22 4.97 0.08 -1.26 -4.90 117.98 119.76 1d4a s PHE 222 Ca 0.15 -0.37 -0.32 0.00 0.12 0.00 0.00 56.93 56.52 1d4a s PHE 222 Cb -0.14 -0.94 -0.12 0.00 -0.57 0.00 0.00 43.02 41.25 1d4a s PHE 222 CO 0.06 0.08 1.68 0.00 -0.10 0.00 0.00 175.22 176.94 1d4a s ALA 223 N -0.85 3.89 0.58 5.36 0.00 -1.26 -4.94 121.76 124.54 1d4a s ALA 223 Ca 0.05 1.56 -0.20 0.00 0.00 0.00 0.00 51.96 53.37 1d4a s ALA 223 Cb -0.09 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1d4a s ALA 223 CO 0.02 -0.92 1.26 -2.14 0.00 0.00 0.00 175.76 173.98 1d4a s PRO 224 N 0.87 3.01 0.52 0.00 0.02 -1.26 -4.91 135.00 133.26 1d4a s PRO 224 Ca 0.72 1.97 0.32 0.00 0.02 0.00 0.00 61.00 64.04 1d4a s PRO 224 Cb -0.49 -2.05 1.23 0.00 0.02 0.00 0.00 34.50 33.22 1d4a s PRO 224 CO 0.35 -1.21 1.93 0.66 -0.33 0.00 0.00 177.00 178.39 1d4a h SER 225 N 1.09 0.00 0.18 2.53 4.64 -1.92 -2.59 113.55 117.48 1d4a h SER 225 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1d4a h SER 225 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1d4a h SER 225 CO 0.56 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 1d4a n SER 226 N -3.05 0.17 0.02 4.97 3.41 -1.26 -0.60 113.62 117.29 1d4a n SER 226 Ca 0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1d4a n SER 226 Cb 0.33 -0.59 0.26 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.72 0.52 -4.73 1.04 4.77 -0.98 -4.92 117.00 110.98 1d4a n LEU 227 Ca 0.01 0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.86 1d4a n LEU 227 Cb 0.07 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1d4a n LEU 227 CO 0.07 0.04 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.54 1d4a s PHE 228 N -3.06 3.01 -1.15 -1.77 0.40 0.23 -0.63 117.98 115.01 1d4a s PHE 228 Ca 0.10 -0.07 -0.16 0.00 -0.60 0.00 0.00 56.93 56.20 1d4a s PHE 228 Cb 0.16 -1.46 0.14 0.00 0.51 0.00 0.00 43.02 42.38 1d4a s PHE 228 CO 0.69 0.52 1.41 0.34 0.70 0.00 0.00 175.22 178.88 1d4a s ASP 229 N -2.98 6.91 -0.11 1.36 -1.08 0.27 -4.76 116.67 116.27 1d4a s ASP 229 Ca 0.29 -2.62 -0.01 0.00 -0.52 0.00 0.00 52.55 49.69 1d4a s ASP 229 Cb -0.10 -2.44 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 1d4a s ASP 229 CO 0.21 -0.92 1.09 0.18 0.52 0.00 0.00 175.17 176.25 1d4a n LEU 230 N 6.42 0.88 -3.73 -1.34 4.77 -1.26 -3.27 117.00 119.48 1d4a n LEU 230 Ca 0.35 -1.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.03 1d4a n LEU 230 Cb 0.45 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 1d4a n LEU 230 CO 0.62 -0.59 0.07 0.54 -1.33 0.00 0.00 177.39 176.70 1d4a s ASN 231 N 3.91 -0.27 0.18 -1.43 4.22 -1.26 -5.01 114.94 115.28 1d4a s ASN 231 Ca 0.08 0.24 -0.14 0.00 -2.14 0.00 0.00 52.86 50.90 1d4a s ASN 231 Cb 0.03 0.39 0.07 0.00 1.28 0.00 0.00 41.25 43.02 1d4a s ASN 231 CO -0.00 -0.43 1.84 -0.26 -2.04 0.00 0.00 177.10 176.21 1d4a h PHE 232 N 3.97 0.68 0.00 1.54 -1.00 -1.97 -2.33 116.94 117.84 1d4a h PHE 232 Ca -0.29 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1d4a h PHE 232 Cb 1.17 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1d4a h PHE 232 CO 0.49 0.44 0.00 0.00 -1.61 0.00 0.00 178.31 177.63 1d4a n GLN 233 N -4.70 0.60 -0.00 1.51 -0.00 -1.26 -1.91 117.38 111.61 1d4a n GLN 233 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1d4a n GLN 233 Cb 0.02 -1.24 -0.00 0.00 -0.00 0.00 0.00 30.24 29.02 1d4a n GLN 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1d4a n ALA 234 N -0.74 2.03 -1.12 2.61 0.00 -0.91 -5.02 120.51 117.36 1d4a n ALA 234 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1d4a n ALA 234 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 1.18 0.69 3.68 0.00 0.00 -0.80 -3.58 105.19 106.37 1d4a n GLY 235 Ca 0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.88 -1.84 -3.33 1.61 3.01 -1.09 -4.93 117.46 108.02 1d4a n PHE 236 Ca -0.04 0.62 -0.27 0.00 1.01 0.00 0.00 57.45 58.77 1d4a n PHE 236 Cb 0.14 -3.05 -0.02 0.00 -0.01 0.00 0.00 39.48 36.54 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 -6.81 4.02 0.28 4.37 1.43 -1.23 -4.62 118.68 116.12 1d4a s LEU 237 Ca 0.54 0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 1d4a s LEU 237 Cb -0.28 -3.45 -0.13 0.00 0.03 0.00 0.00 46.19 42.36 1d4a s LEU 237 CO 0.66 -0.25 1.30 0.80 0.23 0.00 0.00 176.35 179.08 1d4a n MET 238 N -1.34 1.92 -1.80 1.70 0.00 -1.26 -0.57 117.12 115.77 1d4a n MET 238 Ca -0.03 0.68 -0.38 0.00 -0.00 0.00 0.00 57.70 57.97 1d4a n MET 238 Cb 0.55 -2.26 0.05 0.00 0.00 0.00 0.00 33.22 31.55 1d4a n MET 238 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1d4a s LYS 239 N -1.09 2.99 0.18 2.12 1.02 0.19 -4.75 119.74 120.40 1d4a s LYS 239 Ca 0.63 2.15 -0.19 0.00 0.02 0.00 0.00 55.97 58.58 1d4a s LYS 239 Cb -0.64 -2.13 0.12 0.00 -0.52 0.00 0.00 37.83 34.66 1d4a s LYS 239 CO 0.56 -1.29 1.62 -0.22 -0.92 0.00 0.00 175.35 175.10 1d4a h LYS 240 N 1.19 -0.14 -0.21 1.68 3.64 -1.91 -0.15 116.57 120.68 1d4a h LYS 240 Ca -0.51 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1d4a h LYS 240 Cb 1.31 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 1d4a h LYS 240 CO 0.56 -0.09 -0.06 0.93 -2.27 0.00 0.00 179.45 178.52 1d4a h GLU 241 N -0.14 -0.01 -0.89 1.90 3.07 -1.98 -2.07 114.58 114.46 1d4a h GLU 241 Ca 0.22 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.12 1d4a h GLU 241 Cb 0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 1d4a h GLU 241 CO -0.55 -0.00 0.57 0.28 -1.40 0.00 0.00 179.01 177.90 1d4a h VAL 242 N -0.01 1.13 -0.52 3.13 2.07 -1.73 -1.83 116.25 118.49 1d4a h VAL 242 Ca 0.10 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1d4a h VAL 242 Cb 0.16 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 1d4a h VAL 242 CO -0.22 0.20 0.29 1.56 0.02 0.00 0.00 177.57 179.42 1d4a h GLN 243 N 1.10 0.55 0.39 1.57 4.20 -0.39 -2.62 115.11 119.91 1d4a h GLN 243 Ca 0.36 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1d4a h GLN 243 Cb 0.04 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1d4a h GLN 243 CO -0.13 0.37 -0.19 -0.44 -0.67 0.00 0.00 178.83 177.77 1d4a h ASP 244 N 0.57 -0.45 -0.17 1.46 3.32 -0.97 -2.63 116.42 117.55 1d4a h ASP 244 Ca 0.22 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1d4a h ASP 244 Cb 0.08 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1d4a h ASP 244 CO -0.13 -0.14 0.54 -0.33 -1.72 0.00 0.00 179.24 177.46 1d4a h GLU 245 N -0.77 0.00 0.01 3.56 5.08 -1.24 -0.40 114.58 120.83 1d4a h GLU 245 Ca -0.05 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.01 1d4a h GLU 245 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1d4a h GLU 245 CO 0.09 0.00 -1.71 0.93 -1.00 0.00 0.00 179.01 177.32 1d4a h GLU 246 N 0.00 0.03 -0.43 2.33 4.39 -1.16 -3.38 114.58 116.36 1d4a h GLU 246 Ca 0.08 -0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.85 1d4a h GLU 246 Cb 1.16 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1d4a h GLU 246 CO -0.00 0.59 0.51 0.87 -1.16 0.00 0.00 179.01 179.81 1d4a h LYS 247 N 0.01 0.00 -0.44 2.33 1.57 -0.71 0.32 116.57 119.65 1d4a h LYS 247 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1d4a h LYS 247 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.32 1d4a h LYS 247 CO 0.08 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.23 1d4a n ASN 248 N -3.58 3.15 -4.83 0.86 6.94 -1.26 -4.92 115.26 111.62 1d4a n ASN 248 Ca 0.08 -1.95 -0.37 0.00 -0.02 0.00 0.00 54.58 52.32 1d4a n ASN 248 Cb 0.68 -0.29 -0.06 0.00 -2.36 0.00 0.00 39.78 37.75 1d4a n ASN 248 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1d4a s LYS 249 N -1.43 3.71 0.05 -3.83 1.02 0.11 -5.02 119.74 114.35 1d4a s LYS 249 Ca 0.39 -0.07 -0.25 0.00 0.02 0.00 0.00 55.97 56.06 1d4a s LYS 249 Cb 0.22 -3.26 -0.17 0.00 -0.52 0.00 0.00 37.83 34.10 1d4a s LYS 249 CO 0.30 0.63 1.54 -0.22 -0.92 0.00 0.00 175.35 176.68 1d4a h LYS 250 N 5.42 -0.15 -6.70 1.68 3.11 -1.91 -3.46 116.57 114.56 1d4a h LYS 250 Ca -0.51 0.01 -0.47 0.00 -2.81 0.00 0.00 60.65 56.87 1d4a h LYS 250 Cb 1.21 0.03 0.03 0.00 -1.00 0.00 0.00 32.23 32.50 1d4a h LYS 250 CO 0.63 0.05 -0.08 -0.06 -2.81 0.00 0.00 179.45 177.18 1d4a s PHE 251 N -5.49 3.34 0.69 1.91 0.08 -1.26 -4.15 117.98 113.09 1d4a s PHE 251 Ca -0.14 0.36 -0.08 0.00 0.12 0.00 0.00 56.93 57.19 1d4a s PHE 251 Cb 0.04 -2.22 0.15 0.00 -0.57 0.00 0.00 43.02 40.42 1d4a s PHE 251 CO 0.64 -0.25 0.94 0.41 -0.10 0.00 0.00 175.22 176.87 1d4a n GLY 252 N -2.05 -0.57 0.14 4.36 0.00 0.99 -4.87 105.19 103.18 1d4a n GLY 252 Ca -0.00 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 1d4a n GLY 252 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d4a n LEU 253 N 0.00 2.64 0.00 0.99 4.77 0.10 -4.54 117.00 120.96 1d4a n LEU 253 Ca 0.13 0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1d4a n LEU 253 Cb 0.46 -1.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.44 1d4a n LEU 253 CO 0.32 0.84 0.08 -1.20 -1.33 0.00 0.00 177.39 176.11 1d4a n SER 254 N -3.50 -0.55 -0.06 -1.43 7.64 -0.96 -4.79 113.62 109.96 1d4a n SER 254 Ca -0.33 -1.70 -0.12 0.00 1.01 0.00 0.00 58.87 57.74 1d4a n SER 254 Cb 1.03 1.01 -0.05 0.00 -1.01 0.00 0.00 64.21 65.19 1d4a n SER 254 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1d4a h VAL 255 N 1.38 1.25 -0.01 0.44 2.07 -1.93 -2.30 116.25 117.15 1d4a h VAL 255 Ca -0.10 -0.85 -0.21 0.00 0.82 0.00 0.00 66.70 66.35 1d4a h VAL 255 Cb 0.45 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1d4a h VAL 255 CO 0.14 0.26 -0.89 1.23 0.02 0.00 0.00 177.57 178.33 1d4a h GLY 256 N 0.09 0.40 -5.77 2.17 0.00 -1.97 -3.30 103.07 94.70 1d4a h GLY 256 Ca 0.05 -0.68 -0.75 0.00 0.00 0.00 0.00 47.33 45.95 1d4a h GLY 256 CO 0.01 0.61 0.63 1.42 0.00 0.00 0.00 176.54 179.20 1d4a n HIS 257 N -3.74 3.09 0.46 5.60 -0.00 -1.20 -4.67 115.22 114.75 1d4a n HIS 257 Ca -0.06 -2.83 0.13 0.00 -0.00 0.00 0.00 57.72 54.97 1d4a n HIS 257 Cb 0.81 -1.00 0.35 0.00 -0.00 0.00 0.00 29.99 30.15 1d4a n HIS 257 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1d4a h HIS 258 N 3.69 0.00 -1.75 4.41 2.07 -1.49 0.41 115.15 122.49 1d4a h HIS 258 Ca 0.45 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.67 1d4a h HIS 258 Cb 0.34 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.22 1d4a h HIS 258 CO 1.19 0.00 -0.30 1.28 -3.07 0.00 0.00 177.93 177.03 1d4a n LEU 259 N -2.57 -1.16 0.00 6.12 4.77 -1.26 -0.81 117.00 122.09 1d4a n LEU 259 Ca 0.05 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1d4a n LEU 259 Cb 0.44 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.28 1d4a n LEU 259 CO 0.30 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1d4a n GLY 260 N -0.40 0.74 0.00 -0.72 0.00 -1.26 -5.02 105.19 98.52 1d4a n GLY 260 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.43 1.79 -2.31 1.61 5.02 0.01 -5.09 118.16 116.76 1d4a n LYS 261 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 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 -0.90 7.02 -0.19 4.39 0.01 -1.26 -4.67 113.70 118.10 1d4a s SER 262 Ca 0.00 2.34 -0.24 0.00 1.31 0.00 0.00 55.95 59.36 1d4a s SER 262 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1d4a s SER 262 CO 0.00 -0.41 0.78 -0.63 0.41 0.00 0.00 173.24 173.39 1d4a s ILE 263 N -0.25 4.91 0.30 1.44 1.01 -1.26 -0.00 121.20 127.34 1d4a s ILE 263 Ca 0.53 1.50 -0.28 0.00 0.00 0.00 0.00 60.65 62.40 1d4a s ILE 263 Cb -0.34 -4.08 -0.14 0.00 0.01 0.00 0.00 42.46 37.91 1d4a s ILE 263 CO 0.39 0.03 1.06 -0.81 0.00 0.00 0.00 174.94 175.61 1d4a n PRO 264 N 5.36 1.50 -1.66 2.79 -0.04 -1.26 -4.83 135.00 136.85 1d4a n PRO 264 Ca 0.03 0.53 -0.46 0.00 -0.04 0.00 0.00 63.50 63.56 1d4a n PRO 264 Cb 0.49 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 1d4a n PRO 264 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1d4a n THR 265 N 0.23 0.22 -4.08 0.52 -1.04 -1.26 -2.83 114.28 106.04 1d4a n THR 265 Ca 0.09 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 1d4a n THR 265 Cb 0.33 -1.47 -0.02 0.00 -1.82 0.00 0.00 70.33 67.34 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 3.06 -1.82 -0.11 8.00 8.00 -1.26 -4.83 116.55 127.59 1d4a n ASP 266 Ca 0.16 -1.01 0.06 0.00 0.71 0.00 0.00 54.79 54.71 1d4a n ASP 266 Cb 0.29 -2.92 0.40 0.00 -0.02 0.00 0.00 41.12 38.87 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 -1.71 0.56 -0.02 -2.24 -1.24 -1.77 0.21 115.58 109.37 1d4a h ASN 267 Ca -0.61 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1d4a h ASN 267 Cb 1.38 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.31 1d4a h ASN 267 CO 0.70 0.37 -0.04 0.00 -1.29 0.00 0.00 177.43 177.18 1d4a n GLN 268 N -4.47 2.15 -0.04 6.67 1.13 -1.26 -4.34 117.38 117.22 1d4a n GLN 268 Ca 0.08 -1.72 -0.05 0.00 -1.94 0.00 0.00 57.00 53.37 1d4a n GLN 268 Cb 0.19 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 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 1.08 0.46 -5.10 5.09 5.41 -0.70 -4.60 119.36 121.00 1d4a n ILE 269 Ca 0.14 -0.22 -0.29 0.00 1.00 0.00 0.00 62.75 63.38 1d4a n ILE 269 Cb 0.56 -0.81 -0.16 0.00 -0.71 0.00 0.00 39.64 38.52 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 -2.16 1.84 -0.02 0.38 -0.14 0.65 -4.33 119.74 115.96 1d4a s LYS 270 Ca -0.08 -0.87 -0.09 0.00 -1.36 0.00 0.00 55.97 53.58 1d4a s LYS 270 Cb 0.02 -1.82 -0.05 0.00 -1.68 0.00 0.00 37.83 34.31 1d4a s LYS 270 CO 0.22 0.49 0.28 0.00 -0.76 0.00 0.00 175.35 175.59 1d4a s ALA 271 N -0.59 3.81 0.00 5.17 0.00 -1.26 -4.60 121.76 124.29 1d4a s ALA 271 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1d4a s ALA 271 Cb -0.09 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1d4a s ALA 271 CO -0.00 0.59 0.00 2.89 0.00 0.00 0.00 175.76 179.24 1d4a n ARG 272 N 1.52 0.00 0.00 0.00 0.00 -1.26 -5.04 116.66 111.87 1d4a n ARG 272 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1d4a n ARG 272 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.99 1d4a n ARG 272 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80