#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 1.64 0.00 7.63 0.00 -1.26 -4.96 107.32 110.36 1d4a s GLY 2 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1d4a s GLY 2 CO 0.00 -0.05 0.00 -2.13 0.00 0.00 0.00 173.10 170.92 1d4a n ARG 3 N 3.69 1.94 -4.63 2.90 0.63 -1.26 -4.93 116.66 115.00 1d4a n ARG 3 Ca -0.18 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.51 1d4a n ARG 3 Cb 0.52 -0.93 -0.16 0.00 0.45 0.00 0.00 32.46 32.34 1d4a n ARG 3 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1d4a s ARG 4 N -1.79 1.60 0.13 -0.14 3.52 -1.26 -1.63 118.95 119.39 1d4a s ARG 4 Ca 0.00 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.24 1d4a s ARG 4 Cb 0.00 -1.37 -0.04 0.00 -1.56 0.00 0.00 34.95 31.99 1d4a s ARG 4 CO 0.00 0.11 -0.24 0.00 -0.81 0.00 0.00 175.30 174.36 1d4a s ALA 5 N 0.39 2.18 -0.11 6.12 0.00 -0.17 0.40 121.76 130.57 1d4a s ALA 5 Ca -0.09 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.47 1d4a s ALA 5 Cb -0.13 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1d4a s ALA 5 CO 0.03 0.45 -0.17 -1.17 0.00 0.00 0.00 175.76 174.89 1d4a s LEU 6 N -2.12 1.82 -0.30 0.00 2.96 0.90 -1.48 118.68 120.46 1d4a s LEU 6 Ca 0.12 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1d4a s LEU 6 Cb -0.09 -1.16 0.03 0.00 0.50 0.00 0.00 46.19 45.46 1d4a s LEU 6 CO 0.06 0.05 0.03 -0.63 -1.32 0.00 0.00 176.35 174.54 1d4a s ILE 7 N 0.84 3.41 -0.34 6.68 1.01 -0.57 -0.53 121.20 131.70 1d4a s ILE 7 Ca -0.09 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.36 1d4a s ILE 7 Cb -0.15 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1d4a s ILE 7 CO 0.00 -0.00 0.34 -0.69 0.00 0.00 0.00 174.94 174.59 1d4a s VAL 8 N 1.37 5.19 -0.13 2.92 1.01 0.55 -1.81 120.40 129.49 1d4a s VAL 8 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1d4a s VAL 8 Cb -0.18 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1d4a s VAL 8 CO 0.00 -0.06 0.00 -0.22 0.00 0.00 0.00 175.10 174.82 1d4a s LEU 9 N 1.98 3.52 -0.63 3.92 2.96 -0.60 -0.74 118.68 129.10 1d4a s LEU 9 Ca 0.11 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1d4a s LEU 9 Cb -0.17 -1.84 0.19 0.00 0.50 0.00 0.00 46.19 44.88 1d4a s LEU 9 CO 0.11 0.25 0.53 0.00 -1.32 0.00 0.00 176.35 175.93 1d4a n ALA 10 N 2.98 3.42 -3.62 5.97 0.00 -0.58 -1.95 120.51 126.73 1d4a n ALA 10 Ca -0.18 -4.29 -0.10 0.00 0.00 0.00 0.00 53.44 48.87 1d4a n ALA 10 Cb 0.53 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.45 -0.81 -0.30 0.00 5.04 -1.26 -4.44 115.29 112.07 1d4a s HIS 11 Ca 0.30 1.72 0.26 0.00 -1.54 0.00 0.00 55.06 55.80 1d4a s HIS 11 Cb 0.03 0.41 0.66 0.00 0.04 0.00 0.00 32.58 33.72 1d4a s HIS 11 CO -0.13 -0.41 1.73 0.66 -2.34 0.00 0.00 174.74 174.24 1d4a h SER 12 N 6.57 0.00 -3.89 9.88 4.64 -1.98 -3.43 113.55 125.34 1d4a h SER 12 Ca -0.32 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.36 1d4a h SER 12 Cb 1.20 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.12 1d4a h SER 12 CO 0.20 0.00 -0.51 -1.61 -0.87 0.00 0.00 176.83 174.04 1d4a s GLU 13 N -3.34 3.94 0.23 4.77 0.41 -1.26 -4.93 118.70 118.53 1d4a s GLU 13 Ca 0.05 -0.32 0.19 0.00 -0.41 0.00 0.00 54.97 54.49 1d4a s GLU 13 Cb 0.06 -3.66 0.91 0.00 -1.78 0.00 0.00 34.13 29.67 1d4a s GLU 13 CO 0.63 -0.19 1.59 0.54 -0.49 0.00 0.00 175.26 177.34 1d4a n ARG 14 N 5.07 0.13 0.00 1.61 3.00 -1.26 -1.65 116.66 123.55 1d4a n ARG 14 Ca -0.14 0.50 0.13 0.00 -0.01 0.00 0.00 57.85 58.33 1d4a n ARG 14 Cb 0.52 -1.83 0.25 0.00 0.00 0.00 0.00 32.46 31.40 1d4a n ARG 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1d4a n THR 15 N -2.09 0.00 -1.72 0.55 -2.24 -1.26 -4.76 114.28 102.75 1d4a n THR 15 Ca 0.01 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1d4a n THR 15 Cb 0.12 1.08 0.09 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.08 4.47 0.28 3.42 1.04 -0.66 -4.94 113.70 115.23 1d4a s SER 16 Ca 0.30 1.03 0.07 0.00 0.48 0.00 0.00 55.95 57.83 1d4a s SER 16 Cb 0.20 -1.67 0.40 0.00 0.10 0.00 0.00 66.02 65.04 1d4a s SER 16 CO 0.35 -1.95 1.65 0.15 0.98 0.00 0.00 173.24 174.43 1d4a h PHE 17 N -1.08 0.24 -0.79 5.02 3.57 -1.94 -2.30 116.94 119.67 1d4a h PHE 17 Ca -0.47 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 60.93 1d4a h PHE 17 Cb 1.30 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1d4a h PHE 17 CO 0.39 0.65 0.41 -0.91 -2.23 0.00 0.00 178.31 176.62 1d4a h ASN 18 N 0.16 1.00 -0.43 0.41 2.35 -1.93 0.72 115.58 117.86 1d4a h ASN 18 Ca 0.01 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1d4a h ASN 18 Cb 0.93 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1d4a h ASN 18 CO 0.07 0.82 -0.13 0.22 -1.65 0.00 0.00 177.43 176.76 1d4a h TYR 19 N 1.11 0.97 -0.95 1.19 3.20 -1.73 -1.83 116.97 118.93 1d4a h TYR 19 Ca 0.28 -0.22 0.09 0.00 3.14 0.00 0.00 58.73 62.02 1d4a h TYR 19 Cb 0.07 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.03 1d4a h TYR 19 CO 0.01 0.97 0.61 0.00 -1.64 0.00 0.00 178.16 178.12 1d4a h ALA 20 N 0.85 1.54 0.00 1.82 0.00 -0.73 -0.52 119.26 122.22 1d4a h ALA 20 Ca 0.11 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1d4a h ALA 20 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1d4a h ALA 20 CO 0.05 0.27 -0.66 0.52 0.00 0.00 0.00 179.25 179.43 1d4a h MET 21 N 0.99 0.00 -0.16 0.00 2.86 -0.61 -1.67 114.93 116.34 1d4a h MET 21 Ca 0.44 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.96 1d4a h MET 21 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1d4a h MET 21 CO -0.20 0.66 -0.37 -0.22 1.06 0.00 0.00 176.91 177.84 1d4a h LYS 22 N 0.00 0.53 -0.48 1.72 3.64 -0.37 -1.86 116.57 119.75 1d4a h LYS 22 Ca -0.01 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1d4a h LYS 22 Cb 1.20 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1d4a h LYS 22 CO 0.09 0.97 0.00 1.05 -2.27 0.00 0.00 179.45 179.29 1d4a h GLU 23 N 0.17 0.79 -0.52 1.90 4.11 -1.14 -1.80 114.58 118.09 1d4a h GLU 23 Ca -0.00 -0.21 -0.07 0.00 0.07 0.00 0.00 59.36 59.14 1d4a h GLU 23 Cb 0.98 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1d4a h GLU 23 CO 0.08 0.80 0.04 0.00 0.07 0.00 0.00 179.01 180.00 1d4a h ALA 24 N 1.26 0.70 -0.41 1.06 0.00 -1.24 -1.32 119.26 119.31 1d4a h ALA 24 Ca 0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1d4a h ALA 24 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1d4a h ALA 24 CO 0.02 0.48 -0.15 0.00 0.00 0.00 0.00 179.25 179.60 1d4a h ALA 25 N 0.96 0.57 -0.33 0.00 0.00 -1.18 -1.68 119.26 117.60 1d4a h ALA 25 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1d4a h ALA 25 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1d4a h ALA 25 CO 0.02 0.49 0.22 0.00 0.00 0.00 0.00 179.25 179.97 1d4a h ALA 26 N 0.83 0.41 0.29 0.00 0.00 -1.24 -0.64 119.26 118.91 1d4a h ALA 26 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1d4a h ALA 26 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1d4a h ALA 26 CO 0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.04 1d4a h ALA 27 N 1.12 -0.38 -0.13 0.00 0.00 -1.15 -1.44 119.26 117.27 1d4a h ALA 27 Ca 0.12 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1d4a h ALA 27 Cb -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1d4a h ALA 27 CO -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 179.25 178.54 1d4a h ALA 28 N 0.33 0.13 -0.74 0.00 0.00 -1.19 -1.38 119.26 116.41 1d4a h ALA 28 Ca -0.04 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1d4a h ALA 28 Cb 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1d4a h ALA 28 CO 0.06 -0.42 0.33 -0.07 0.00 0.00 0.00 179.25 179.15 1d4a h LEU 29 N 0.08 1.00 -0.29 0.00 4.07 -1.10 -3.06 115.31 116.01 1d4a h LEU 29 Ca 0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1d4a h LEU 29 Cb 0.05 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1d4a h LEU 29 CO -0.08 0.88 0.05 0.11 -1.08 0.00 0.00 178.44 178.32 1d4a h LYS 30 N 1.06 0.48 0.00 1.13 1.57 -1.10 -1.41 116.57 118.30 1d4a h LYS 30 Ca 0.25 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1d4a h LYS 30 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1d4a h LYS 30 CO -0.03 0.58 0.00 1.63 -0.57 0.00 0.00 179.45 181.07 1d4a n LYS 31 N -4.64 0.31 -0.15 3.15 5.02 -0.53 -0.28 118.16 121.03 1d4a n LYS 31 Ca -0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.32 1d4a n LYS 31 Cb 0.21 -1.19 0.08 0.00 -0.02 0.00 0.00 35.03 34.10 1d4a n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d4a n LYS 32 N -0.69 1.20 -0.20 1.97 4.76 -0.84 -5.00 118.16 119.36 1d4a n LYS 32 Ca 0.03 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.52 1d4a n LYS 32 Cb 0.01 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 -0.90 1.65 3.77 0.72 0.00 0.61 -5.04 105.19 106.00 1d4a n GLY 33 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.87 2.58 -0.26 1.61 0.52 -0.59 -4.98 118.94 114.95 1d4a s TRP 34 Ca 0.00 1.55 -0.10 0.00 0.02 0.00 0.00 56.10 57.57 1d4a s TRP 34 Cb 0.00 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 1d4a s TRP 34 CO 0.00 -1.75 0.15 -1.21 0.02 0.00 0.00 176.95 174.15 1d4a s GLU 35 N -3.65 3.86 -0.12 4.98 2.02 -0.65 -4.28 118.70 120.88 1d4a s GLU 35 Ca 0.71 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 55.32 1d4a s GLU 35 Cb -0.24 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 1d4a s GLU 35 CO 0.34 -0.15 -0.06 0.08 0.02 0.00 0.00 175.26 175.49 1d4a s VAL 36 N 1.63 3.76 0.06 2.63 1.01 -1.26 -1.00 120.40 127.22 1d4a s VAL 36 Ca 0.07 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1d4a s VAL 36 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1d4a s VAL 36 CO 0.08 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.80 1d4a s VAL 37 N -0.16 1.88 0.18 2.92 1.01 -0.55 -5.00 120.40 120.68 1d4a s VAL 37 Ca 0.02 -1.34 0.09 0.00 0.00 0.00 0.00 61.98 60.75 1d4a s VAL 37 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1d4a s VAL 37 CO 0.03 0.22 -0.11 -1.61 0.00 0.00 0.00 175.10 173.63 1d4a s GLU 38 N -1.34 2.00 -0.46 2.72 2.02 -1.26 -1.52 118.70 120.86 1d4a s GLU 38 Ca 0.09 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 53.85 1d4a s GLU 38 Cb -0.09 -2.13 0.17 0.00 0.10 0.00 0.00 34.13 32.17 1d4a s GLU 38 CO 0.02 0.44 0.37 0.43 0.02 0.00 0.00 175.26 176.54 1d4a n SER 39 N 0.13 0.08 -4.50 -0.19 7.64 -0.75 -4.94 113.62 111.08 1d4a n SER 39 Ca -0.11 -2.51 -0.43 0.00 1.01 0.00 0.00 58.87 56.83 1d4a n SER 39 Cb 0.55 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 1d4a n SER 39 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1d4a s ASP 40 N -0.20 6.51 0.25 6.43 -1.08 -1.26 -1.55 116.67 125.76 1d4a s ASP 40 Ca 0.32 -1.62 -0.05 0.00 -0.52 0.00 0.00 52.55 50.68 1d4a s ASP 40 Cb 0.03 -2.47 0.47 0.00 -1.46 0.00 0.00 42.92 39.48 1d4a s ASP 40 CO -0.19 -1.32 1.69 -0.07 0.52 0.00 0.00 175.17 175.80 1d4a h LEU 41 N 11.56 0.04 -0.27 -1.34 3.38 -1.76 -0.43 115.31 126.48 1d4a h LEU 41 Ca 0.10 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1d4a h LEU 41 Cb 1.03 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1d4a h LEU 41 CO 1.25 -0.03 0.01 1.88 0.09 0.00 0.00 178.44 181.64 1d4a h TYR 42 N 0.28 0.52 -0.79 1.13 0.05 -1.83 -0.74 116.97 115.58 1d4a h TYR 42 Ca 0.42 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 1d4a h TYR 42 Cb 0.72 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.28 1d4a h TYR 42 CO -0.25 0.62 0.46 0.00 -1.05 0.00 0.00 178.16 177.94 1d4a h ALA 43 N 0.83 1.33 0.00 3.88 0.00 -1.71 -0.89 119.26 122.70 1d4a h ALA 43 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d4a h ALA 43 Cb 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1d4a h ALA 43 CO 0.01 0.57 0.00 -1.33 0.00 0.00 0.00 179.25 178.50 1d4a n MET 44 N -4.37 0.45 -3.87 0.00 2.81 -0.23 -4.90 117.12 107.01 1d4a n MET 44 Ca 0.08 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.72 1d4a n MET 44 Cb 0.07 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.27 -2.07 -4.73 7.83 2.85 -0.34 -4.85 115.26 112.68 1d4a n ASN 45 Ca 0.15 -0.87 -0.42 0.00 -0.11 0.00 0.00 54.58 53.32 1d4a n ASN 45 Cb 0.23 -3.64 -0.03 0.00 1.24 0.00 0.00 39.78 37.59 1d4a n ASN 45 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1d4a s PHE 46 N -3.62 2.90 -0.41 1.20 5.36 -0.36 -4.95 117.98 118.10 1d4a s PHE 46 Ca 0.24 0.49 -0.26 0.00 -0.96 0.00 0.00 56.93 56.44 1d4a s PHE 46 Cb -0.12 -4.09 0.02 0.00 -0.34 0.00 0.00 43.02 38.49 1d4a s PHE 46 CO 0.85 -4.01 0.95 1.21 -1.46 0.00 0.00 175.22 172.76 1d4a s ASN 47 N 1.02 6.61 0.00 6.13 3.04 -1.26 -4.93 114.94 125.55 1d4a s ASN 47 Ca 0.71 0.41 0.22 0.00 0.04 0.00 0.00 52.86 54.25 1d4a s ASN 47 Cb -0.48 -2.47 0.82 0.00 -1.54 0.00 0.00 41.25 37.58 1d4a s ASN 47 CO 0.35 -0.96 1.59 -0.81 -3.04 0.00 0.00 177.10 174.23 1d4a n PRO 48 N 7.01 1.68 -3.77 0.43 -0.04 -1.26 -4.84 135.00 134.21 1d4a n PRO 48 Ca 0.07 -1.02 -0.36 0.00 -0.04 0.00 0.00 63.50 62.15 1d4a n PRO 48 Cb 0.48 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.83 4.74 0.38 0.52 1.01 -1.26 -4.22 121.20 120.54 1d4a s ILE 49 Ca 0.33 -0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.69 1d4a s ILE 49 Cb 0.18 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 1d4a s ILE 49 CO 0.27 0.35 1.20 0.27 0.00 0.00 0.00 174.94 177.03 1d4a s ILE 50 N 1.31 3.06 0.30 2.92 -4.36 -1.26 -5.02 121.20 118.15 1d4a s ILE 50 Ca 0.06 0.93 -0.18 0.00 -0.26 0.00 0.00 60.65 61.19 1d4a s ILE 50 Cb -0.15 -3.54 0.03 0.00 1.25 0.00 0.00 42.46 40.05 1d4a s ILE 50 CO 0.05 0.12 0.71 -0.94 0.24 0.00 0.00 174.94 175.12 1d4a s SER 51 N -0.98 -0.15 0.00 4.36 1.04 -1.26 -5.01 113.70 111.70 1d4a s SER 51 Ca 0.55 -0.79 0.18 0.00 0.48 0.00 0.00 55.95 56.37 1d4a s SER 51 Cb -0.33 0.75 0.93 0.00 0.10 0.00 0.00 66.02 67.47 1d4a s SER 51 CO 0.42 -1.41 1.55 -2.11 0.98 0.00 0.00 173.24 172.67 1d4a n ARG 52 N -0.47 0.27 0.01 4.02 1.85 -1.26 -1.95 116.66 119.13 1d4a n ARG 52 Ca -0.05 0.11 0.13 0.00 -1.00 0.00 0.00 57.85 57.04 1d4a n ARG 52 Cb 0.60 -1.50 0.57 0.00 -1.05 0.00 0.00 32.46 31.08 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 -1.28 0.02 0.00 2.89 5.02 -1.26 -2.83 118.16 120.73 1d4a n LYS 53 Ca 0.09 0.04 0.09 0.00 -2.02 0.00 0.00 58.31 56.52 1d4a n LYS 53 Cb 0.14 -1.52 0.43 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.56 0.00 -4.26 4.39 8.00 -0.82 -4.41 116.55 117.89 1d4a n ASP 54 Ca 0.07 0.38 -0.37 0.00 0.71 0.00 0.00 54.79 55.57 1d4a n ASP 54 Cb 0.33 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.89 3.56 -1.35 0.53 1.09 -1.13 -0.71 121.20 120.30 1d4a s ILE 55 Ca 0.12 -1.09 -0.13 0.00 -1.10 0.00 0.00 60.65 58.44 1d4a s ILE 55 Cb 0.13 -2.97 0.10 0.00 -1.06 0.00 0.00 42.46 38.66 1d4a s ILE 55 CO 0.34 -0.08 1.94 0.35 -0.10 0.00 0.00 174.94 177.38 1d4a n THR 56 N 4.77 3.91 -2.35 2.92 -2.24 0.15 -4.84 114.28 116.59 1d4a n THR 56 Ca -0.13 -3.84 0.00 0.00 -2.27 0.00 0.00 64.05 57.81 1d4a n THR 56 Cb 0.45 -2.47 0.00 0.00 -2.10 0.00 0.00 70.33 66.21 1d4a n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4a n GLY 57 N 3.94 -1.29 3.75 3.38 0.00 -1.26 -4.88 105.19 108.83 1d4a n GLY 57 Ca 0.46 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.95 2.96 0.11 1.61 1.02 -1.26 -5.01 119.74 117.22 1d4a s LYS 58 Ca 0.00 2.11 -0.08 0.00 0.02 0.00 0.00 55.97 58.02 1d4a s LYS 58 Cb 0.00 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.16 1d4a s LYS 58 CO 0.00 -1.29 0.40 -0.51 -0.92 0.00 0.00 175.35 173.03 1d4a s LEU 59 N -3.83 4.31 0.20 3.17 1.43 -1.26 -4.99 118.68 117.71 1d4a s LEU 59 Ca 0.75 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 54.49 1d4a s LEU 59 Cb -0.38 -3.12 0.12 0.00 0.03 0.00 0.00 46.19 42.85 1d4a s LEU 59 CO 0.43 0.12 1.78 0.11 0.23 0.00 0.00 176.35 179.02 1d4a h LYS 60 N 3.39 1.03 -2.47 1.70 1.57 -1.95 -3.37 116.57 116.47 1d4a h LYS 60 Ca -0.48 -0.16 -0.59 0.00 -1.87 0.00 0.00 60.65 57.55 1d4a h LYS 60 Cb 1.18 -0.18 -0.39 0.00 0.08 0.00 0.00 32.23 32.93 1d4a h LYS 60 CO 0.68 0.82 -0.92 0.34 -0.57 0.00 0.00 179.45 179.80 1d4a s ASP 61 N -6.15 1.91 0.57 0.86 -1.08 -1.26 -4.96 116.67 106.56 1d4a s ASP 61 Ca -0.13 -3.10 0.36 0.00 -0.52 0.00 0.00 52.55 49.17 1d4a s ASP 61 Cb 0.14 -0.57 1.64 0.00 -1.46 0.00 0.00 42.92 42.67 1d4a s ASP 61 CO 0.81 -0.17 2.08 -0.65 0.52 0.00 0.00 175.17 177.75 1d4a h PRO 62 N 5.71 0.00 0.00 4.34 0.11 -2.00 -2.65 132.00 137.51 1d4a h PRO 62 Ca 0.24 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 1d4a h PRO 62 Cb 0.90 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1d4a h PRO 62 CO 0.40 0.00 -0.88 0.00 -0.21 0.00 0.00 178.00 177.31 1d4a h ALA 63 N 2.01 0.49 -2.24 -0.75 0.00 -1.96 -3.38 119.26 113.43 1d4a h ALA 63 Ca 0.00 -0.80 -0.58 0.00 0.00 0.00 0.00 54.91 53.53 1d4a h ALA 63 Cb 0.37 -0.14 -0.38 0.00 0.00 0.00 0.00 17.79 17.63 1d4a h ALA 63 CO 0.00 1.10 -1.02 -1.71 0.00 0.00 0.00 179.25 177.62 1d4a n ASN 64 N -3.41 -0.25 -4.65 0.00 5.15 -1.02 -5.11 115.26 105.98 1d4a n ASN 64 Ca 0.00 -2.49 -0.43 0.00 -0.60 0.00 0.00 54.58 51.07 1d4a n ASN 64 Cb 0.86 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 39.51 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 -0.38 2.50 -0.27 1.20 5.36 -1.08 -4.81 117.98 120.50 1d4a s PHE 65 Ca 0.34 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 57.03 1d4a s PHE 65 Cb 0.08 -3.71 0.07 0.00 -0.34 0.00 0.00 43.02 39.13 1d4a s PHE 65 CO -0.17 -2.46 -0.03 -0.65 -1.46 0.00 0.00 175.22 170.45 1d4a s GLN 66 N 3.84 1.65 0.26 10.12 -0.21 -1.26 -5.04 119.66 129.01 1d4a s GLN 66 Ca 0.62 -1.25 -0.02 0.00 0.02 0.00 0.00 55.36 54.73 1d4a s GLN 66 Cb -0.25 -2.72 0.53 0.00 1.00 0.00 0.00 33.01 31.57 1d4a s GLN 66 CO 0.21 -0.69 1.70 -0.92 -2.12 0.00 0.00 175.29 173.47 1d4a h TYR 67 N 7.86 0.46 0.35 0.91 3.20 -1.98 -2.06 116.97 125.70 1d4a h TYR 67 Ca -0.15 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1d4a h TYR 67 Cb 1.05 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1d4a h TYR 67 CO 0.51 -0.02 -0.33 -1.35 -1.64 0.00 0.00 178.16 175.33 1d4a h PRO 68 N 0.37 -0.68 -0.47 1.82 0.11 -1.99 0.11 132.00 131.28 1d4a h PRO 68 Ca 0.45 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.59 1d4a h PRO 68 Cb 0.77 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1d4a h PRO 68 CO -0.48 -0.45 0.24 0.00 -0.21 0.00 0.00 178.00 177.10 1d4a h ALA 69 N -0.20 0.60 -0.44 -0.75 0.00 -1.97 -2.00 119.26 114.50 1d4a h ALA 69 Ca -0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1d4a h ALA 69 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1d4a h ALA 69 CO -0.05 0.15 -0.14 0.93 0.00 0.00 0.00 179.25 180.13 1d4a h GLU 70 N 0.62 0.83 -0.03 0.00 4.39 -1.29 -2.11 114.58 116.98 1d4a h GLU 70 Ca 0.16 -0.30 -0.17 0.00 0.34 0.00 0.00 59.36 59.40 1d4a h GLU 70 Cb 0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1d4a h GLU 70 CO -0.02 0.92 -0.73 0.66 -1.16 0.00 0.00 179.01 178.68 1d4a h SER 71 N 0.74 0.21 -0.40 1.42 4.64 -0.68 -2.15 113.55 117.34 1d4a h SER 71 Ca 0.12 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1d4a h SER 71 Cb 0.65 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1d4a h SER 71 CO 0.05 0.87 -0.17 0.58 -0.87 0.00 0.00 176.83 177.28 1d4a h VAL 72 N 0.11 1.28 -0.77 0.95 2.07 -1.25 -0.98 116.25 117.66 1d4a h VAL 72 Ca -0.02 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1d4a h VAL 72 Cb 1.29 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1d4a h VAL 72 CO 0.11 0.43 0.33 0.25 0.02 0.00 0.00 177.57 178.71 1d4a h LEU 73 N 0.62 1.04 -0.36 2.57 5.85 -1.33 -1.78 115.31 121.93 1d4a h LEU 73 Ca 0.09 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1d4a h LEU 73 Cb 0.72 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1d4a h LEU 73 CO 0.05 0.91 0.05 0.00 -0.34 0.00 0.00 178.44 179.12 1d4a h ALA 74 N 1.24 0.48 -0.32 1.25 0.00 -1.23 -1.78 119.26 118.89 1d4a h ALA 74 Ca 0.26 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1d4a h ALA 74 Cb 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1d4a h ALA 74 CO -0.03 0.19 -0.03 -0.92 0.00 0.00 0.00 179.25 178.47 1d4a h TYR 75 N 0.43 -0.06 -0.76 0.00 3.20 -0.81 0.30 116.97 119.27 1d4a h TYR 75 Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1d4a h TYR 75 Cb 0.37 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1d4a h TYR 75 CO 0.03 -0.08 0.33 0.87 -1.64 0.00 0.00 178.16 177.66 1d4a h LYS 76 N 0.06 1.11 -0.03 1.82 1.57 -1.15 -2.75 116.57 117.20 1d4a h LYS 76 Ca 0.15 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1d4a h LYS 76 Cb 0.22 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1d4a h LYS 76 CO -0.28 0.88 0.00 0.39 -0.57 0.00 0.00 179.45 179.87 1d4a n GLU 77 N -4.30 1.70 -1.97 3.15 1.02 -0.69 -4.95 120.64 114.61 1d4a n GLU 77 Ca 0.07 -1.02 -0.07 0.00 -0.02 0.00 0.00 57.16 56.12 1d4a n GLU 77 Cb 0.16 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.23 1.60 0.62 0.00 0.73 -4.95 105.19 104.60 1d4a n GLY 78 Ca 0.19 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1d4a n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d4a n HIS 79 N -3.78 1.90 -3.07 1.61 8.25 0.57 -5.00 115.22 115.69 1d4a n HIS 79 Ca -0.09 -1.62 -0.33 0.00 -0.26 0.00 0.00 57.72 55.42 1d4a n HIS 79 Cb 0.51 -0.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.89 1d4a n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1d4a s LEU 80 N -3.23 4.09 0.23 2.41 1.43 -1.25 0.30 118.68 122.66 1d4a s LEU 80 Ca 0.50 1.38 -0.32 0.00 -1.03 0.00 0.00 54.13 54.66 1d4a s LEU 80 Cb 0.43 -4.08 -0.13 0.00 0.03 0.00 0.00 46.19 42.44 1d4a s LEU 80 CO 0.05 -0.19 1.46 -0.24 0.23 0.00 0.00 176.35 177.67 1d4a n SER 81 N -0.22 2.94 -0.33 2.29 2.88 0.11 -4.72 113.62 116.57 1d4a n SER 81 Ca 0.03 1.13 0.29 0.00 -1.33 0.00 0.00 58.87 58.99 1d4a n SER 81 Cb 0.53 -1.44 0.62 0.00 -0.75 0.00 0.00 64.21 63.16 1d4a n SER 81 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1d4a h PRO 82 N 4.66 0.20 -0.06 -1.46 0.11 -1.94 0.48 132.00 133.98 1d4a h PRO 82 Ca -0.45 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1d4a h PRO 82 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1d4a h PRO 82 CO 0.79 0.13 -0.51 0.38 -0.21 0.00 0.00 178.00 178.58 1d4a h ASP 83 N 0.21 0.17 -0.09 -2.05 2.03 -2.00 -1.81 116.42 112.88 1d4a h ASP 83 Ca 0.60 -0.09 -0.05 0.00 -0.73 0.00 0.00 57.03 56.76 1d4a h ASP 83 Cb 1.90 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 40.35 1d4a h ASP 83 CO -0.19 0.66 -0.13 0.40 -1.03 0.00 0.00 179.24 178.95 1d4a h ILE 84 N 0.13 1.39 -0.86 4.15 2.04 -1.27 -3.15 117.51 119.93 1d4a h ILE 84 Ca 0.00 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1d4a h ILE 84 Cb 0.95 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 1d4a h ILE 84 CO 0.08 0.39 0.56 0.58 0.00 0.00 0.00 178.15 179.75 1d4a h VAL 85 N -0.19 1.23 -0.95 1.67 2.07 -1.32 -1.67 116.25 117.08 1d4a h VAL 85 Ca 0.01 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1d4a h VAL 85 Cb 0.69 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1d4a h VAL 85 CO 0.03 0.22 0.59 0.00 0.02 0.00 0.00 177.57 178.43 1d4a h ALA 86 N 1.44 1.24 -0.22 1.67 0.00 -1.36 -1.35 119.26 120.69 1d4a h ALA 86 Ca 0.31 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1d4a h ALA 86 Cb -0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.29 1d4a h ALA 86 CO -0.07 0.66 -0.57 0.93 0.00 0.00 0.00 179.25 180.21 1d4a h GLU 87 N 1.31 0.69 -0.02 0.00 4.39 -1.39 -2.65 114.58 116.90 1d4a h GLU 87 Ca 0.34 -0.45 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1d4a h GLU 87 Cb -0.08 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1d4a h GLU 87 CO -0.07 1.07 -0.22 1.96 -1.16 0.00 0.00 179.01 180.59 1d4a h GLN 88 N 0.52 0.04 -0.17 2.33 4.20 -0.99 -1.89 115.11 119.15 1d4a h GLN 88 Ca 0.01 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1d4a h GLN 88 Cb 1.14 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1d4a h GLN 88 CO 0.12 0.26 -0.57 0.87 -0.67 0.00 0.00 178.83 178.84 1d4a h LYS 89 N 0.04 0.53 -0.49 1.46 1.57 -1.03 -2.08 116.57 116.57 1d4a h LYS 89 Ca 0.01 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.36 1d4a h LYS 89 Cb 0.42 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1d4a h LYS 89 CO 0.03 0.95 -0.02 0.87 -0.57 0.00 0.00 179.45 180.71 1d4a h LYS 90 N 0.40 0.83 -0.16 3.15 1.57 -1.04 -2.68 116.57 118.64 1d4a h LYS 90 Ca 0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1d4a h LYS 90 Cb 1.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1d4a h LYS 90 CO 0.11 0.85 0.00 -0.07 -0.57 0.00 0.00 179.45 179.77 1d4a h LEU 91 N 0.77 0.28 -1.76 2.94 3.38 -1.20 -2.36 115.31 117.36 1d4a h LEU 91 Ca 0.14 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1d4a h LEU 91 Cb 0.49 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1d4a h LEU 91 CO 0.02 0.51 0.01 -0.33 0.09 0.00 0.00 178.44 178.75 1d4a h GLU 92 N 0.04 0.16 0.00 1.13 5.08 -1.30 -2.63 114.58 117.05 1d4a h GLU 92 Ca 0.05 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1d4a h GLU 92 Cb 0.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1d4a h GLU 92 CO 0.01 0.17 -0.59 0.00 -1.00 0.00 0.00 179.01 177.59 1d4a h ALA 93 N 1.86 0.74 -2.52 3.43 0.00 -1.41 -3.47 119.26 117.89 1d4a h ALA 93 Ca 0.04 -0.23 -0.50 0.00 0.00 0.00 0.00 54.91 54.22 1d4a h ALA 93 Cb 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1d4a h ALA 93 CO -0.00 0.28 0.21 0.00 0.00 0.00 0.00 179.25 179.73 1d4a s ALA 94 N -3.15 3.34 -0.21 0.00 0.00 -0.89 -4.76 121.76 116.08 1d4a s ALA 94 Ca 0.03 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1d4a s ALA 94 Cb 0.07 -2.97 -0.20 0.00 0.00 0.00 0.00 23.12 20.02 1d4a s ALA 94 CO 0.74 0.27 -0.03 -0.25 0.00 0.00 0.00 175.76 176.49 1d4a n ASP 95 N 0.76 1.71 -4.22 0.00 8.00 0.16 -4.89 116.55 118.07 1d4a n ASP 95 Ca -0.01 -0.02 -0.31 0.00 0.71 0.00 0.00 54.79 55.16 1d4a n ASP 95 Cb 0.50 -0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 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 -6.48 2.05 -0.15 0.64 2.96 -0.99 -1.05 118.68 115.66 1d4a s LEU 96 Ca -0.28 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.13 1d4a s LEU 96 Cb 0.08 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1d4a s LEU 96 CO 0.68 0.19 -0.18 -0.69 -1.32 0.00 0.00 176.35 175.02 1d4a s VAL 97 N 0.13 1.83 -0.17 1.68 1.01 -0.38 -0.07 120.40 124.42 1d4a s VAL 97 Ca -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1d4a s VAL 97 Cb -0.16 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1d4a s VAL 97 CO 0.06 0.50 -0.03 -0.63 0.00 0.00 0.00 175.10 175.00 1d4a s ILE 98 N 1.14 3.85 -0.38 2.22 1.01 0.31 -1.71 121.20 127.64 1d4a s ILE 98 Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 1d4a s ILE 98 Cb -0.14 -2.70 0.05 0.00 0.01 0.00 0.00 42.46 39.68 1d4a s ILE 98 CO -0.07 0.47 0.20 -0.36 0.00 0.00 0.00 174.94 175.18 1d4a s PHE 99 N 0.58 3.29 -0.28 3.97 0.08 -0.40 -0.33 117.98 124.89 1d4a s PHE 99 Ca -0.02 -1.36 -0.10 0.00 0.12 0.00 0.00 56.93 55.57 1d4a s PHE 99 Cb -0.14 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 1d4a s PHE 99 CO 0.02 -0.76 0.14 -1.14 -0.10 0.00 0.00 175.22 173.39 1d4a s GLN 100 N 1.45 3.67 -0.01 0.44 2.00 0.08 -0.66 119.66 126.64 1d4a s GLN 100 Ca 0.01 -0.49 -0.29 0.00 -2.00 0.00 0.00 55.36 52.60 1d4a s GLN 100 Cb -0.21 -3.53 0.10 0.00 0.80 0.00 0.00 33.01 30.17 1d4a s GLN 100 CO 0.03 -0.26 0.87 -0.59 -0.50 0.00 0.00 175.29 174.85 1d4a s PHE 101 N 1.67 -0.38 0.13 1.67 -0.71 -0.80 -1.53 117.98 118.04 1d4a s PHE 101 Ca 0.06 0.30 -0.22 0.00 -1.04 0.00 0.00 56.93 56.03 1d4a s PHE 101 Cb -0.16 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.10 1d4a s PHE 101 CO 0.07 -0.55 0.67 -1.25 -1.34 0.00 0.00 175.22 172.83 1d4a s PRO 102 N -2.88 4.37 0.11 1.99 0.04 -1.26 -2.38 135.00 134.99 1d4a s PRO 102 Ca 0.03 0.94 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 1d4a s PRO 102 Cb -0.01 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 1d4a s PRO 102 CO -0.07 0.59 1.50 -1.17 0.04 0.00 0.00 177.00 177.89 1d4a s LEU 103 N -1.19 4.36 -0.11 -3.56 2.96 0.12 -4.52 118.68 116.75 1d4a s LEU 103 Ca 0.33 2.43 -0.01 0.00 -0.22 0.00 0.00 54.13 56.66 1d4a s LEU 103 Cb -0.21 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.92 1d4a s LEU 103 CO 0.22 -0.76 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.33 1d4a s GLN 104 N 1.53 1.42 -1.30 1.98 -0.21 -0.40 -4.81 119.66 117.87 1d4a s GLN 104 Ca 0.68 -0.22 -0.06 0.00 0.02 0.00 0.00 55.36 55.78 1d4a s GLN 104 Cb -0.39 -1.53 -0.00 0.00 1.00 0.00 0.00 33.01 32.09 1d4a s GLN 104 CO 0.30 -0.27 0.60 0.91 -2.12 0.00 0.00 175.29 174.71 1d4a n TRP 105 N 4.97 -1.79 -2.03 0.91 7.02 -1.26 -1.71 117.44 123.55 1d4a n TRP 105 Ca -0.12 0.68 -0.19 0.00 -1.02 0.00 0.00 57.50 56.85 1d4a n TRP 105 Cb 0.50 -3.80 -0.04 0.00 -2.42 0.00 0.00 31.31 25.55 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 -0.64 -2.20 -5.99 3.01 -1.26 -4.88 117.46 101.20 1d4a n PHE 106 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1d4a n PHE 106 Cb 0.66 -3.53 0.00 0.00 -0.01 0.00 0.00 39.48 36.60 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 -0.70 2.50 3.86 1.37 0.00 -0.69 -4.93 105.19 106.60 1d4a n GLY 107 Ca -0.21 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1d4a n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d4a s VAL 108 N -2.73 4.72 0.63 1.61 -7.23 -1.26 -1.27 120.40 114.87 1d4a s VAL 108 Ca 0.00 0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 60.81 1d4a s VAL 108 Cb 0.00 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 1d4a s VAL 108 CO 0.00 -0.35 1.11 -2.65 -0.31 0.00 0.00 175.10 172.89 1d4a n PRO 109 N -0.82 0.97 -0.24 4.82 -0.02 -1.26 -4.69 135.00 133.76 1d4a n PRO 109 Ca 0.03 0.38 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1d4a n PRO 109 Cb 0.54 -2.33 0.35 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.46 1.75 -0.31 3.55 0.00 -1.96 -1.12 119.26 121.64 1d4a h ALA 110 Ca -0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1d4a h ALA 110 Cb 1.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1d4a h ALA 110 CO 0.52 0.08 0.05 0.97 0.00 0.00 0.00 179.25 180.86 1d4a h ILE 111 N 0.75 1.16 0.14 0.00 2.10 -1.95 -0.13 117.51 119.59 1d4a h ILE 111 Ca 0.38 -0.60 -0.29 0.00 1.08 0.00 0.00 64.86 65.43 1d4a h ILE 111 Cb 0.47 0.88 0.02 0.00 -1.09 0.00 0.00 36.82 37.10 1d4a h ILE 111 CO -0.15 0.21 -1.26 0.25 -1.08 0.00 0.00 178.15 176.12 1d4a h LEU 112 N 0.44 0.71 -0.75 2.19 5.85 -1.63 -2.42 115.31 119.70 1d4a h LEU 112 Ca 0.10 -0.69 0.06 0.00 0.84 0.00 0.00 57.88 58.19 1d4a h LEU 112 Cb 0.22 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1d4a h LEU 112 CO 0.00 1.52 0.45 0.50 -0.34 0.00 0.00 178.44 180.56 1d4a h LYS 113 N 0.19 0.80 -0.26 1.25 1.63 -0.75 -1.36 116.57 118.07 1d4a h LYS 113 Ca -0.18 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.48 1d4a h LYS 113 Cb 1.95 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 33.38 1d4a h LYS 113 CO 0.23 0.53 -0.27 0.78 -3.45 0.00 0.00 179.45 177.27 1d4a h GLY 114 N 0.83 0.54 0.99 5.01 0.00 -1.04 -1.94 103.07 107.46 1d4a h GLY 114 Ca 0.33 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1d4a h GLY 114 CO -0.17 0.41 0.27 -0.25 0.00 0.00 0.00 176.54 176.80 1d4a h TRP 115 N 0.44 0.57 -0.40 5.60 7.01 -0.77 0.27 115.95 128.67 1d4a h TRP 115 Ca 0.06 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1d4a h TRP 115 Cb 0.69 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1d4a h TRP 115 CO 0.02 0.39 0.23 0.74 -2.79 0.00 0.00 178.44 177.04 1d4a h PHE 116 N 0.58 0.53 -0.92 2.65 0.04 -1.01 0.13 116.94 118.93 1d4a h PHE 116 Ca 0.16 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1d4a h PHE 116 Cb -0.01 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 1d4a h PHE 116 CO -0.03 0.39 0.56 0.93 -0.60 0.00 0.00 178.31 179.56 1d4a h GLU 117 N 0.52 1.25 0.00 1.51 5.08 -0.81 -0.57 114.58 121.55 1d4a h GLU 117 Ca 0.14 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1d4a h GLU 117 Cb 0.02 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1d4a h GLU 117 CO -0.02 0.87 -1.35 0.00 -1.00 0.00 0.00 179.01 177.50 1d4a h ARG 118 N 1.27 0.00 0.08 2.33 3.08 -0.83 -3.41 114.38 116.90 1d4a h ARG 118 Ca 0.33 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 60.03 1d4a h ARG 118 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1d4a h ARG 118 CO -0.06 0.27 -1.96 0.28 -1.07 0.00 0.00 179.97 177.43 1d4a n VAL 119 N -2.88 1.68 -1.64 2.04 0.31 0.45 -4.56 118.33 113.72 1d4a n VAL 119 Ca -0.09 -0.51 -0.41 0.00 -0.01 0.00 0.00 64.34 63.32 1d4a n VAL 119 Cb 0.81 -1.76 -0.01 0.00 -0.91 0.00 0.00 33.84 31.98 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 -3.68 3.30 -2.96 3.52 3.01 -0.23 -4.80 117.46 115.63 1d4a n PHE 120 Ca -0.35 -2.99 -0.34 0.00 1.01 0.00 0.00 57.45 54.78 1d4a n PHE 120 Cb 0.96 -2.54 -0.07 0.00 -0.01 0.00 0.00 39.48 37.83 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 3.01 4.49 0.63 4.37 1.01 -1.26 -4.78 121.20 128.67 1d4a s ILE 121 Ca 0.52 1.31 -0.18 0.00 0.00 0.00 0.00 60.65 62.30 1d4a s ILE 121 Cb 0.15 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1d4a s ILE 121 CO -0.08 -0.15 0.93 0.61 0.00 0.00 0.00 174.94 176.24 1d4a n GLY 122 N -0.23 -0.44 4.62 6.18 0.00 -1.26 -0.77 105.19 113.28 1d4a n GLY 122 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1d4a n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1d4a n GLU 123 N -1.12 0.00 -0.00 1.61 -0.58 0.15 -4.56 120.64 116.13 1d4a n GLU 123 Ca 0.14 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.79 1d4a n GLU 123 Cb 0.48 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.28 1d4a n GLU 123 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1d4a h PHE 124 N 0.00 -0.10 0.00 -0.32 3.57 -1.86 -3.41 116.94 114.82 1d4a h PHE 124 Ca 0.00 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 1d4a h PHE 124 Cb 0.00 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1d4a h PHE 124 CO 0.00 0.35 -1.93 0.00 -2.23 0.00 0.00 178.31 174.50 1d4a n ALA 125 N -2.65 1.95 -3.66 2.41 0.00 0.05 -4.85 120.51 113.76 1d4a n ALA 125 Ca -0.06 -0.85 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 1d4a n ALA 125 Cb 0.24 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.88 -0.23 -0.19 0.00 1.13 -1.25 -4.38 117.35 109.54 1d4a s TYR 126 Ca -0.07 -0.15 -0.17 0.00 -1.41 0.00 0.00 57.07 55.27 1d4a s TYR 126 Cb 0.09 0.61 0.05 0.00 -1.10 0.00 0.00 41.96 41.61 1d4a s TYR 126 CO 0.84 -1.10 0.50 -0.08 -2.51 0.00 0.00 175.55 173.20 1d4a s THR 127 N -3.88 -0.00 -0.96 -3.49 -1.32 -1.25 0.33 115.64 105.06 1d4a s THR 127 Ca 0.09 0.01 0.17 0.00 -1.21 0.00 0.00 61.69 60.75 1d4a s THR 127 Cb -0.04 -0.70 0.14 0.00 -1.51 0.00 0.00 72.50 70.39 1d4a s THR 127 CO 0.01 0.00 1.54 -1.22 -2.21 0.00 0.00 174.62 172.74 1d4a n TYR 128 N 2.93 0.06 0.03 9.09 4.01 -1.26 -1.53 117.16 130.49 1d4a n TYR 128 Ca -0.14 0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.59 1d4a n TYR 128 Cb 0.56 -0.54 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 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 2.54 0.66 -2.08 -0.72 0.00 -1.96 -3.40 119.26 114.30 1d4a h ALA 129 Ca 0.00 -0.98 -0.57 0.00 0.00 0.00 0.00 54.91 53.36 1d4a h ALA 129 Cb 0.29 0.24 -0.39 0.00 0.00 0.00 0.00 17.79 17.93 1d4a h ALA 129 CO 0.00 1.11 -1.02 0.00 0.00 0.00 0.00 179.25 179.35 1d4a n ALA 130 N -2.41 2.71 -1.96 0.00 0.00 -0.58 -5.07 120.51 113.19 1d4a n ALA 130 Ca -0.09 -3.57 -0.24 0.00 0.00 0.00 0.00 53.44 49.55 1d4a n ALA 130 Cb 0.90 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.22 2.25 0.46 0.00 1.00 -0.84 -3.21 119.30 117.74 1d4a s MET 131 Ca 0.35 -0.59 0.00 0.00 0.00 0.00 0.00 55.69 55.46 1d4a s MET 131 Cb 0.15 -2.32 0.00 0.00 0.00 0.00 0.00 34.83 32.66 1d4a s MET 131 CO -0.11 -1.06 0.00 0.66 0.00 0.00 0.00 175.02 174.51 1d4a n TYR 132 N -2.68 0.00 0.22 -0.03 4.01 -0.11 -1.20 117.16 117.37 1d4a n TYR 132 Ca 0.09 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.97 1d4a n TYR 132 Cb 0.60 0.00 0.77 0.00 -0.31 0.00 0.00 39.34 40.40 1d4a n TYR 132 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1d4a h ASP 133 N 0.00 0.00 -0.70 7.72 3.04 -1.88 0.14 116.42 124.74 1d4a h ASP 133 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1d4a h ASP 133 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1d4a h ASP 133 CO 0.00 0.00 0.00 0.29 -2.04 0.00 0.00 179.24 177.49 1d4a n LYS 134 N -2.51 2.63 -1.08 4.15 5.02 -0.34 -4.85 118.16 121.18 1d4a n LYS 134 Ca -0.02 -2.54 -0.30 0.00 -2.02 0.00 0.00 58.31 53.44 1d4a n LYS 134 Cb 0.07 -1.55 0.15 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.02 1.62 0.58 0.72 0.00 0.48 -4.57 107.32 105.14 1d4a s GLY 135 Ca 0.47 0.05 0.27 0.00 0.00 0.00 0.00 44.72 45.51 1d4a s GLY 135 CO 0.32 0.54 2.21 -2.55 0.00 0.00 0.00 173.10 173.62 1d4a h PRO 136 N -1.65 0.00 -0.60 2.90 0.11 -1.71 -2.79 132.00 128.26 1d4a h PRO 136 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1d4a h PRO 136 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1d4a h PRO 136 CO 0.52 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.50 1d4a n PHE 137 N -3.96 1.95 0.32 0.65 3.72 -0.35 -4.59 117.46 115.20 1d4a n PHE 137 Ca -0.02 -0.69 0.18 0.00 -0.05 0.00 0.00 57.45 56.87 1d4a n PHE 137 Cb 0.13 -0.45 0.96 0.00 -0.94 0.00 0.00 39.48 39.18 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 4.03 0.00 -0.18 -1.08 0.11 -1.25 0.16 114.38 116.18 1d4a h ARG 138 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1d4a h ARG 138 Cb 1.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.94 1d4a h ARG 138 CO 0.43 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.93 1d4a n SER 139 N -3.07 2.52 -4.70 0.08 7.64 -1.26 -4.70 113.62 110.13 1d4a n SER 139 Ca -0.02 -1.83 -0.23 0.00 1.01 0.00 0.00 58.87 57.80 1d4a n SER 139 Cb 0.27 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.78 2.41 -0.01 1.43 1.02 0.57 -4.95 119.74 118.43 1d4a s LYS 140 Ca 0.34 -1.41 0.07 0.00 0.02 0.00 0.00 55.97 54.99 1d4a s LYS 140 Cb 0.20 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 1d4a s LYS 140 CO 0.30 0.28 -0.22 0.15 -0.92 0.00 0.00 175.35 174.95 1d4a s LYS 141 N -3.76 1.72 0.06 1.68 1.02 -0.22 -2.00 119.74 118.25 1d4a s LYS 141 Ca 0.34 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.61 1d4a s LYS 141 Cb -0.05 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1d4a s LYS 141 CO 0.22 0.46 -0.19 0.00 -0.92 0.00 0.00 175.35 174.92 1d4a s ALA 142 N -0.53 1.58 -0.03 5.17 0.00 -0.23 -1.25 121.76 126.46 1d4a s ALA 142 Ca 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1d4a s ALA 142 Cb -0.08 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1d4a s ALA 142 CO -0.01 0.33 0.07 0.08 0.00 0.00 0.00 175.76 176.23 1d4a s VAL 143 N -0.91 -0.01 -0.22 0.00 1.01 -0.69 -0.71 120.40 118.87 1d4a s VAL 143 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1d4a s VAL 143 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1d4a s VAL 143 CO 0.02 0.01 0.11 -0.76 0.00 0.00 0.00 175.10 174.48 1d4a s LEU 144 N 0.16 3.92 -0.35 3.92 1.43 -1.26 -1.28 118.68 125.22 1d4a s LEU 144 Ca -0.01 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1d4a s LEU 144 Cb -0.02 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.25 1d4a s LEU 144 CO -0.00 0.10 0.10 -0.55 0.23 0.00 0.00 176.35 176.23 1d4a s SER 145 N 0.80 5.08 -0.04 2.29 0.15 0.17 -0.72 113.70 121.43 1d4a s SER 145 Ca 0.06 -1.63 0.04 0.00 0.70 0.00 0.00 55.95 55.11 1d4a s SER 145 Cb -0.13 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1d4a s SER 145 CO 0.02 -0.40 -0.14 -0.63 1.20 0.00 0.00 173.24 173.29 1d4a s ILE 146 N 1.20 3.05 0.10 6.45 1.01 -0.29 -1.90 121.20 130.81 1d4a s ILE 146 Ca 0.02 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 59.99 1d4a s ILE 146 Cb -0.21 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1d4a s ILE 146 CO -0.02 0.57 -0.16 0.42 0.00 0.00 0.00 174.94 175.74 1d4a s THR 147 N -0.75 2.95 0.13 2.92 -4.23 -1.00 -0.97 115.64 114.68 1d4a s THR 147 Ca 0.12 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1d4a s THR 147 Cb -0.11 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1d4a s THR 147 CO 0.01 0.16 0.01 0.42 -0.54 0.00 0.00 174.62 174.68 1d4a s THR 148 N -1.11 0.35 -0.03 3.99 -4.23 -0.98 0.14 115.64 113.77 1d4a s THR 148 Ca 0.18 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 1d4a s THR 148 Cb -0.11 -1.94 -0.25 0.00 1.34 0.00 0.00 72.50 71.54 1d4a s THR 148 CO 0.10 -0.60 0.71 1.23 -0.54 0.00 0.00 174.62 175.51 1d4a h GLY 149 N 2.87 0.14 -3.20 3.99 0.00 -1.90 -2.39 103.07 102.58 1d4a h GLY 149 Ca -0.35 -0.35 -0.49 0.00 0.00 0.00 0.00 47.33 46.13 1d4a h GLY 149 CO 0.62 0.31 0.44 -0.32 0.00 0.00 0.00 176.54 177.59 1d4a s GLY 150 N -5.13 2.88 0.67 4.60 0.00 -1.26 -3.98 107.32 105.10 1d4a s GLY 150 Ca -0.09 0.79 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 1d4a s GLY 150 CO 0.82 1.29 1.06 -1.35 0.00 0.00 0.00 173.10 174.92 1d4a s SER 151 N -1.28 5.39 0.33 1.64 1.04 -1.26 -1.76 113.70 117.80 1d4a s SER 151 Ca 0.52 1.71 0.03 0.00 0.48 0.00 0.00 55.95 58.70 1d4a s SER 151 Cb -0.26 -2.51 0.63 0.00 0.10 0.00 0.00 66.02 63.98 1d4a s SER 151 CO 0.33 -1.44 1.93 1.23 0.98 0.00 0.00 173.24 176.27 1d4a h GLY 152 N -0.41 1.16 1.52 7.32 0.00 -1.96 -1.87 103.07 108.82 1d4a h GLY 152 Ca -0.45 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.44 1d4a h GLY 152 CO 0.56 0.26 -0.14 1.48 0.00 0.00 0.00 176.54 178.70 1d4a h SER 153 N 0.89 0.57 -0.12 0.19 4.64 -1.97 -1.87 113.55 115.88 1d4a h SER 153 Ca 0.36 -0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.56 1d4a h SER 153 Cb 0.26 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1d4a h SER 153 CO -0.13 0.73 0.10 0.24 -0.87 0.00 0.00 176.83 176.90 1d4a h MET 154 N 0.53 0.00 -0.60 4.77 2.07 -1.71 -1.99 114.93 118.00 1d4a h MET 154 Ca 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1d4a h MET 154 Cb 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 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 -4.18 1.20 -2.09 -0.22 4.01 -0.73 -1.98 117.16 113.18 1d4a n TYR 155 Ca -0.00 -0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 56.87 1d4a n TYR 155 Cb 0.21 -0.17 0.12 0.00 -0.31 0.00 0.00 39.34 39.20 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 4.07 0.51 7.72 1.04 -0.75 -1.98 113.70 123.29 1d4a s SER 156 Ca 0.46 0.35 0.21 0.00 0.48 0.00 0.00 55.95 57.46 1d4a s SER 156 Cb 0.29 -0.71 1.30 0.00 0.10 0.00 0.00 66.02 67.00 1d4a s SER 156 CO 0.24 -2.11 2.02 -0.07 0.98 0.00 0.00 173.24 174.30 1d4a h LEU 157 N -1.07 0.07 -2.63 2.42 3.38 -1.87 -1.67 115.31 113.93 1d4a h LEU 157 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1d4a h LEU 157 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1d4a h LEU 157 CO 0.51 0.04 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1d4a n GLN 158 N -4.43 2.58 -2.32 1.13 3.00 -1.26 -4.61 117.38 111.48 1d4a n GLN 158 Ca 0.07 -2.25 -0.31 0.00 -0.01 0.00 0.00 57.00 54.51 1d4a n GLN 158 Cb 0.47 -1.42 -0.01 0.00 0.00 0.00 0.00 30.24 29.28 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 -1.08 1.80 0.39 1.08 0.00 -0.63 -4.98 107.32 103.90 1d4a s GLY 159 Ca 0.34 -0.10 0.11 0.00 0.00 0.00 0.00 44.72 45.07 1d4a s GLY 159 CO 0.25 0.14 1.93 -2.22 0.00 0.00 0.00 173.10 173.19 1d4a h ILE 160 N 0.37 0.89 0.00 0.90 2.04 -1.80 -0.92 117.51 118.99 1d4a h ILE 160 Ca -0.46 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1d4a h ILE 160 Cb 1.19 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1d4a h ILE 160 CO 0.62 0.11 -0.36 0.45 0.00 0.00 0.00 178.15 178.96 1d4a h HIS 161 N 0.58 0.00 0.00 1.37 3.86 -1.75 -3.50 115.15 115.72 1d4a h HIS 161 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1d4a h HIS 161 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1d4a h HIS 161 CO -0.00 0.36 0.00 0.41 0.86 0.00 0.00 177.93 179.56 1d4a n GLY 162 N 0.91 0.01 3.68 2.45 0.00 -0.35 -4.95 105.19 106.93 1d4a n GLY 162 Ca 0.02 -1.93 -0.45 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.39 3.71 0.26 1.61 2.03 -1.23 -4.12 116.55 118.41 1d4a n ASP 163 Ca 0.00 0.98 0.11 0.00 0.52 0.00 0.00 54.79 56.41 1d4a n ASP 163 Cb 0.00 -1.46 0.71 0.00 -0.72 0.00 0.00 41.12 39.65 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 8.70 0.00 -0.16 -0.67 1.85 -1.70 -2.42 114.93 120.53 1d4a h MET 164 Ca -0.47 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.60 1d4a h MET 164 Cb 1.25 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.27 1d4a h MET 164 CO 0.94 0.10 0.02 -0.91 -0.40 0.00 0.00 176.91 176.66 1d4a h ASN 165 N 0.00 0.20 0.47 1.39 2.35 -1.90 -1.17 115.58 116.92 1d4a h ASN 165 Ca -0.00 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.53 1d4a h ASN 165 Cb 0.25 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1d4a h ASN 165 CO 0.01 0.23 -0.84 0.58 -1.65 0.00 0.00 177.43 175.76 1d4a h VAL 166 N 0.23 1.45 -0.44 2.81 2.07 -1.83 -2.79 116.25 117.75 1d4a h VAL 166 Ca 0.06 -2.46 -0.14 0.00 0.82 0.00 0.00 66.70 64.98 1d4a h VAL 166 Cb 0.13 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1d4a h VAL 166 CO -0.00 0.72 -0.26 0.40 0.02 0.00 0.00 177.57 178.46 1d4a h ILE 167 N 0.16 1.27 0.00 4.57 2.04 -1.37 -3.19 117.51 121.00 1d4a h ILE 167 Ca -0.05 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.33 1d4a h ILE 167 Cb 1.45 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1d4a h ILE 167 CO 0.13 0.48 -0.32 -0.07 0.00 0.00 0.00 178.15 178.38 1d4a h LEU 168 N 0.80 0.00 -0.37 1.44 3.38 -1.26 -3.37 115.31 115.93 1d4a h LEU 168 Ca 0.10 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1d4a h LEU 168 Cb 0.83 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 1d4a h LEU 168 CO 0.07 0.32 -0.21 -0.25 0.09 0.00 0.00 178.44 178.46 1d4a h TRP 169 N 0.00 -0.55 -0.35 1.13 2.91 -1.47 -1.02 115.95 116.59 1d4a h TRP 169 Ca -0.00 0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.11 1d4a h TRP 169 Cb 1.08 0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 30.01 1d4a h TRP 169 CO 0.00 -0.29 0.24 -1.35 -1.03 0.00 0.00 178.44 176.01 1d4a h PRO 170 N -0.16 0.27 0.00 2.65 0.11 -1.76 -0.71 132.00 132.41 1d4a h PRO 170 Ca 0.18 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1d4a h PRO 170 Cb 0.44 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1d4a h PRO 170 CO -0.46 0.18 -0.35 0.82 -0.21 0.00 0.00 178.00 177.98 1d4a h ILE 171 N 0.28 1.14 -0.27 4.15 2.04 -1.67 -2.92 117.51 120.26 1d4a h ILE 171 Ca 0.15 -1.98 -0.15 0.00 1.00 0.00 0.00 64.86 63.88 1d4a h ILE 171 Cb 0.25 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1d4a h ILE 171 CO -0.03 0.39 -0.44 1.56 0.00 0.00 0.00 178.15 179.63 1d4a h GLN 172 N -1.00 0.69 0.00 2.37 4.20 -1.18 -2.04 115.11 118.14 1d4a h GLN 172 Ca -0.09 -0.38 -0.12 0.00 0.06 0.00 0.00 58.65 58.12 1d4a h GLN 172 Cb 0.87 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1d4a h GLN 172 CO -0.05 0.99 -1.05 0.45 -0.67 0.00 0.00 178.83 178.50 1d4a n SER 173 N -4.02 1.86 0.27 1.46 2.88 -0.28 -1.07 113.62 114.72 1d4a n SER 173 Ca -0.02 0.49 0.11 0.00 -1.33 0.00 0.00 58.87 58.12 1d4a n SER 173 Cb 0.55 -0.88 0.73 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.46 -1.95 103.07 99.12 1d4a h GLY 174 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1d4a h GLY 174 CO -0.11 0.00 -0.14 1.39 0.00 0.00 0.00 176.54 177.67 1d4a n ILE 175 N -4.06 0.46 0.45 2.60 5.41 -0.93 -4.59 119.36 118.70 1d4a n ILE 175 Ca -0.03 0.24 -0.18 0.00 1.00 0.00 0.00 62.75 63.78 1d4a n ILE 175 Cb 0.15 -1.45 -0.09 0.00 -0.71 0.00 0.00 39.64 37.55 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 -0.14 -1.00 -1.35 1.39 3.38 -1.49 -3.00 115.31 113.11 1d4a h LEU 176 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1d4a h LEU 176 Cb 0.14 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1d4a h LEU 176 CO 0.00 -0.70 0.22 -0.74 0.09 0.00 0.00 178.44 177.31 1d4a h HIS 177 N -1.15 0.66 -0.52 1.13 2.76 -1.17 -2.03 115.15 114.82 1d4a h HIS 177 Ca -0.12 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.12 1d4a h HIS 177 Cb 0.89 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.61 1d4a h HIS 177 CO 0.02 0.49 0.35 0.35 -1.30 0.00 0.00 177.93 177.85 1d4a h PHE 178 N 0.67 0.39 -0.01 5.26 3.04 -1.34 0.14 116.94 125.09 1d4a h PHE 178 Ca 0.17 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1d4a h PHE 178 Cb 0.09 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1d4a h PHE 178 CO 0.01 0.20 0.00 0.00 -2.02 0.00 0.00 178.31 176.50 1d4a n GLY 180 N 1.14 1.00 3.70 0.00 0.00 0.48 -1.21 105.19 110.30 1d4a n GLY 180 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.36 2.04 -3.19 1.61 3.72 -1.02 -2.64 117.46 116.61 1d4a n PHE 181 Ca 0.00 0.48 -0.40 0.00 -0.05 0.00 0.00 57.45 57.49 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 -2.36 4.16 -0.21 -1.08 -0.21 -0.85 -4.27 119.66 114.83 1d4a s GLN 182 Ca 0.64 0.46 -0.13 0.00 0.02 0.00 0.00 55.36 56.35 1d4a s GLN 182 Cb -0.48 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 29.88 1d4a s GLN 182 CO 0.56 -0.25 0.28 0.08 -2.12 0.00 0.00 175.29 173.83 1d4a s VAL 183 N 1.98 5.29 0.56 1.09 1.01 -1.26 -1.07 120.40 128.00 1d4a s VAL 183 Ca 0.25 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 1d4a s VAL 183 Cb -0.16 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1d4a s VAL 183 CO 0.09 0.31 0.83 -0.76 0.00 0.00 0.00 175.10 175.57 1d4a s LEU 184 N 1.10 3.27 0.26 3.92 1.43 0.11 0.15 118.68 128.92 1d4a s LEU 184 Ca 0.13 0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 53.28 1d4a s LEU 184 Cb -0.14 -3.17 -0.13 0.00 0.03 0.00 0.00 46.19 42.78 1d4a s LEU 184 CO 0.06 -1.09 1.46 -0.62 0.23 0.00 0.00 176.35 176.39 1d4a n GLU 185 N -2.45 2.24 -2.02 1.70 1.02 -1.26 -4.66 120.64 115.21 1d4a n GLU 185 Ca 0.05 0.80 -0.33 0.00 -0.02 0.00 0.00 57.16 57.66 1d4a n GLU 185 Cb 0.59 -2.49 0.01 0.00 -0.02 0.00 0.00 31.44 29.53 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 -0.47 3.26 -0.53 3.49 0.04 -1.26 -4.69 135.00 134.83 1d4a s PRO 186 Ca 0.67 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 1d4a s PRO 186 Cb -0.60 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.02 1d4a s PRO 186 CO 0.50 -0.87 0.54 -1.14 0.04 0.00 0.00 177.00 176.07 1d4a s GLN 187 N -4.03 3.02 -0.36 4.56 2.00 0.10 -4.99 119.66 119.95 1d4a s GLN 187 Ca 0.64 -1.43 -0.13 0.00 -2.00 0.00 0.00 55.36 52.44 1d4a s GLN 187 Cb -0.17 -4.23 -0.01 0.00 0.80 0.00 0.00 33.01 29.41 1d4a s GLN 187 CO 0.37 -1.29 0.25 -0.51 -0.50 0.00 0.00 175.29 173.61 1d4a s LEU 188 N 1.99 4.66 -0.45 3.68 1.43 -1.26 -1.14 118.68 127.58 1d4a s LEU 188 Ca 0.07 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1d4a s LEU 188 Cb -0.26 -2.14 0.12 0.00 0.03 0.00 0.00 46.19 43.94 1d4a s LEU 188 CO 0.06 -0.29 0.25 0.42 0.23 0.00 0.00 176.35 177.02 1d4a s THR 189 N 1.71 3.37 0.67 5.49 -4.23 -0.15 -5.02 115.64 117.49 1d4a s THR 189 Ca 0.06 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.22 1d4a s THR 189 Cb -0.18 -3.29 -0.00 0.00 1.34 0.00 0.00 72.50 70.37 1d4a s THR 189 CO 0.10 -0.73 1.06 -0.31 -0.54 0.00 0.00 174.62 174.21 1d4a s TYR 190 N 0.92 3.05 -0.72 3.99 2.02 -1.26 -2.32 117.35 123.02 1d4a s TYR 190 Ca 0.10 1.45 -0.04 0.00 -0.37 0.00 0.00 57.07 58.21 1d4a s TYR 190 Cb -0.22 -2.92 0.01 0.00 -0.40 0.00 0.00 41.96 38.42 1d4a s TYR 190 CO -0.04 -1.23 0.07 -1.13 -1.57 0.00 0.00 175.55 171.65 1d4a n SER 191 N -2.88 -0.08 0.24 2.29 3.41 -0.72 -4.77 113.62 111.11 1d4a n SER 191 Ca 0.08 -0.63 0.16 0.00 -0.26 0.00 0.00 58.87 58.22 1d4a n SER 191 Cb 0.53 -0.77 0.85 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.22 0.50 0.00 -1.33 6.09 -1.63 -0.63 117.51 120.30 1d4a h ILE 192 Ca -0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1d4a h ILE 192 Cb 0.68 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.87 1d4a h ILE 192 CO 0.33 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.02 1d4a n GLY 193 N -1.38 -1.26 0.04 8.18 0.00 -1.26 -3.07 105.19 106.44 1d4a n GLY 193 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.45 0.00 -3.45 1.61 8.25 -0.25 -5.01 115.22 114.92 1d4a n HIS 194 Ca 0.07 -0.76 -0.37 0.00 -0.26 0.00 0.00 57.72 56.40 1d4a n HIS 194 Cb 0.26 -0.10 -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 -1.98 5.25 0.62 1.59 2.01 -1.17 -5.06 115.64 116.90 1d4a s THR 195 Ca 0.17 0.68 -0.18 0.00 0.31 0.00 0.00 61.69 62.66 1d4a s THR 195 Cb 0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1d4a s THR 195 CO 0.02 0.34 0.98 -2.65 -0.69 0.00 0.00 174.62 172.61 1d4a n PRO 196 N 3.84 0.86 -0.32 4.92 -0.02 -1.26 -4.74 135.00 138.28 1d4a n PRO 196 Ca -0.10 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1d4a n PRO 196 Cb 0.52 -2.20 0.26 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.40 1.57 -0.39 3.55 0.00 -1.99 -1.52 119.26 120.88 1d4a h ALA 197 Ca -0.49 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1d4a h ALA 197 Cb 1.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1d4a h ALA 197 CO 0.50 0.24 0.13 0.38 0.00 0.00 0.00 179.25 180.50 1d4a h ASP 198 N 0.96 0.56 -0.45 0.00 2.03 -2.00 -2.66 116.42 114.86 1d4a h ASP 198 Ca 0.44 -0.20 -0.03 0.00 -0.73 0.00 0.00 57.03 56.51 1d4a h ASP 198 Cb 0.39 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.72 1d4a h ASP 198 CO -0.20 0.61 0.18 0.00 -1.03 0.00 0.00 179.24 178.81 1d4a h ALA 199 N 0.97 1.39 -0.11 4.15 0.00 -1.68 -2.00 119.26 121.98 1d4a h ALA 199 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1d4a h ALA 199 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1d4a h ALA 199 CO -0.01 0.46 -0.27 0.00 0.00 0.00 0.00 179.25 179.43 1d4a h ARG 200 N 0.71 0.20 -0.59 0.00 3.08 -1.08 0.07 114.38 116.77 1d4a h ARG 200 Ca 0.17 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 1d4a h ARG 200 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1d4a h ARG 200 CO -0.01 0.46 -0.01 0.82 -1.07 0.00 0.00 179.97 180.15 1d4a h ILE 201 N 0.18 1.27 -0.06 2.04 2.04 -1.04 -2.61 117.51 119.33 1d4a h ILE 201 Ca 0.03 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.59 1d4a h ILE 201 Cb 0.58 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1d4a h ILE 201 CO 0.04 0.42 -0.58 -0.61 0.00 0.00 0.00 178.15 177.42 1d4a h GLN 202 N 0.94 0.20 -0.68 2.37 5.75 -0.98 -2.52 115.11 120.19 1d4a h GLN 202 Ca 0.16 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 1d4a h GLN 202 Cb 0.57 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 1d4a h GLN 202 CO 0.03 0.72 0.14 0.82 -2.65 0.00 0.00 178.83 177.89 1d4a h ILE 203 N 0.15 1.26 -0.13 2.39 2.04 -0.77 -0.41 117.51 122.04 1d4a h ILE 203 Ca -0.00 -0.99 -0.14 0.00 1.00 0.00 0.00 64.86 64.73 1d4a h ILE 203 Cb 1.06 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1d4a h ILE 203 CO 0.09 0.38 -0.52 -0.07 0.00 0.00 0.00 178.15 178.03 1d4a h LEU 204 N 1.03 0.39 -0.32 1.44 3.38 -1.36 -2.48 115.31 117.40 1d4a h LEU 204 Ca 0.21 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1d4a h LEU 204 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1d4a h LEU 204 CO 0.01 0.84 -0.12 -0.33 0.09 0.00 0.00 178.44 178.93 1d4a h GLU 205 N 0.28 0.64 -0.88 1.13 4.39 -1.07 -2.31 114.58 116.75 1d4a h GLU 205 Ca 0.01 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.47 1d4a h GLU 205 Cb 1.00 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.58 1d4a h GLU 205 CO 0.09 0.84 0.58 0.78 -1.16 0.00 0.00 179.01 180.14 1d4a h GLY 206 N 0.41 1.26 0.91 -3.84 0.00 -1.00 0.28 103.07 101.09 1d4a h GLY 206 Ca 0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1d4a h GLY 206 CO 0.04 0.41 0.11 -0.25 0.00 0.00 0.00 176.54 176.85 1d4a h TRP 207 N 1.15 0.44 -0.56 5.60 -0.00 -1.35 -0.37 115.95 120.87 1d4a h TRP 207 Ca 0.34 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.89 59.13 1d4a h TRP 207 Cb -0.07 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 28.94 1d4a h TRP 207 CO -0.01 0.45 0.12 0.87 -0.00 0.00 0.00 178.44 179.86 1d4a h LYS 208 N 0.31 0.91 -0.21 2.65 1.57 -1.05 -2.25 116.57 118.51 1d4a h LYS 208 Ca 0.09 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1d4a h LYS 208 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1d4a h LYS 208 CO -0.01 0.86 0.02 -0.22 -0.57 0.00 0.00 179.45 179.53 1d4a h LYS 209 N 0.81 0.08 -0.60 3.15 3.11 -0.72 -2.42 116.57 119.98 1d4a h LYS 209 Ca 0.17 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1d4a h LYS 209 Cb 0.37 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 1d4a h LYS 209 CO 0.01 0.06 0.40 -0.09 -2.81 0.00 0.00 179.45 177.01 1d4a h ARG 210 N 0.09 0.76 0.00 1.90 2.43 -0.87 -2.20 114.38 116.49 1d4a h ARG 210 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1d4a h ARG 210 Cb 0.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1d4a h ARG 210 CO -0.15 0.50 0.00 -0.07 -1.51 0.00 0.00 179.97 178.74 1d4a h LEU 211 N 0.78 0.00 -0.74 3.80 3.38 -0.91 -2.38 115.31 119.24 1d4a h LEU 211 Ca 0.23 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1d4a h LEU 211 Cb -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1d4a h LEU 211 CO -0.05 0.00 0.44 -0.33 0.09 0.00 0.00 178.44 178.59 1d4a h GLU 212 N 0.00 0.79 0.00 1.13 5.08 -1.16 -3.02 114.58 117.40 1d4a h GLU 212 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1d4a h GLU 212 Cb 0.51 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1d4a h GLU 212 CO 0.00 0.52 -0.50 0.09 -1.00 0.00 0.00 179.01 178.13 1d4a n ASN 213 N -4.71 1.72 0.09 1.42 3.02 -1.17 -4.82 115.26 110.81 1d4a n ASN 213 Ca 0.10 -3.88 0.05 0.00 -0.03 0.00 0.00 54.58 50.82 1d4a n ASN 213 Cb 0.17 -0.53 0.49 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.03 1.08 0.00 2.41 2.10 -1.29 -2.47 117.51 120.37 1d4a h ILE 214 Ca -0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1d4a h ILE 214 Cb 1.01 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 1d4a h ILE 214 CO 0.00 0.08 0.00 1.87 -1.08 0.00 0.00 178.15 179.02 1d4a n TRP 215 N -4.48 0.85 1.17 2.19 -0.00 -1.26 -2.51 117.44 113.39 1d4a n TRP 215 Ca 0.01 0.32 0.13 0.00 -0.00 0.00 0.00 57.50 57.96 1d4a n TRP 215 Cb 0.09 -1.01 0.41 0.00 -0.00 0.00 0.00 31.31 30.79 1d4a n TRP 215 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1d4a n ASP 216 N -2.26 0.62 -4.77 5.87 8.00 -0.93 -4.94 116.55 118.15 1d4a n ASP 216 Ca 0.03 -0.47 -0.40 0.00 0.71 0.00 0.00 54.79 54.66 1d4a n ASP 216 Cb 0.26 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.71 4.18 -0.03 -1.24 2.02 -1.05 -5.00 118.70 114.87 1d4a s GLU 217 Ca 0.20 2.11 -0.29 0.00 0.02 0.00 0.00 54.97 57.00 1d4a s GLU 217 Cb 0.19 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 1d4a s GLU 217 CO 0.57 -0.30 0.96 0.95 0.02 0.00 0.00 175.26 177.46 1d4a s THR 218 N -1.23 4.87 0.71 3.63 -4.23 -1.26 -5.03 115.64 113.09 1d4a s THR 218 Ca 0.53 2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 62.92 1d4a s THR 218 Cb -0.37 -4.30 0.02 0.00 1.34 0.00 0.00 72.50 69.19 1d4a s THR 218 CO 0.48 0.14 1.08 -2.16 -0.54 0.00 0.00 174.62 173.62 1d4a s PRO 219 N 1.20 2.70 0.93 3.99 0.04 -1.26 -4.65 135.00 137.95 1d4a s PRO 219 Ca 0.50 1.12 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 1d4a s PRO 219 Cb -0.20 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.54 1d4a s PRO 219 CO 0.25 -1.30 1.14 -0.51 0.04 0.00 0.00 177.00 176.62 1d4a s LEU 220 N -5.48 2.71 -0.22 -3.56 1.43 0.12 -4.41 118.68 109.26 1d4a s LEU 220 Ca 0.61 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.75 1d4a s LEU 220 Cb -0.16 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.52 1d4a s LEU 220 CO 0.51 -3.21 0.22 -0.47 0.23 0.00 0.00 176.35 173.64 1d4a s TYR 221 N -2.63 3.36 0.03 0.29 5.04 -1.26 -4.79 117.35 117.39 1d4a s TYR 221 Ca 0.67 0.36 0.05 0.00 -2.44 0.00 0.00 57.07 55.72 1d4a s TYR 221 Cb -0.23 -2.32 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 1d4a s TYR 221 CO 0.58 0.10 -0.15 -0.06 -1.34 0.00 0.00 175.55 174.68 1d4a s PHE 222 N 0.96 1.35 0.15 4.97 0.08 -1.26 -4.88 117.98 119.35 1d4a s PHE 222 Ca 0.11 -0.34 -0.33 0.00 0.12 0.00 0.00 56.93 56.50 1d4a s PHE 222 Cb -0.13 -0.82 -0.13 0.00 -0.57 0.00 0.00 43.02 41.37 1d4a s PHE 222 CO 0.04 0.04 1.69 0.00 -0.10 0.00 0.00 175.22 176.89 1d4a n ALA 223 N 2.05 1.89 -1.79 5.36 0.00 -1.26 -4.92 120.51 121.83 1d4a n ALA 223 Ca -0.17 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 1d4a n ALA 223 Cb 0.54 -2.46 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 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 1.59 4.19 0.34 0.00 0.02 -1.26 -4.90 135.00 134.97 1d4a s PRO 224 Ca 0.80 2.46 0.26 0.00 0.02 0.00 0.00 61.00 64.53 1d4a s PRO 224 Cb -0.60 -3.02 1.15 0.00 0.02 0.00 0.00 34.50 32.05 1d4a s PRO 224 CO 0.37 -0.47 1.78 0.66 -0.33 0.00 0.00 177.00 179.02 1d4a h SER 225 N 3.83 0.00 0.45 2.53 4.64 -1.95 -2.21 113.55 120.84 1d4a h SER 225 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1d4a h SER 225 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1d4a h SER 225 CO 0.70 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.12 1d4a n SER 226 N -2.43 0.00 -0.04 4.97 3.41 -1.26 -1.81 113.62 116.45 1d4a n SER 226 Ca 0.01 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1d4a n SER 226 Cb 0.20 -0.48 0.51 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.48 0.32 -4.60 1.04 4.77 -0.83 -4.90 117.00 111.32 1d4a n LEU 227 Ca 0.04 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.94 1d4a n LEU 227 Cb 0.16 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1d4a n LEU 227 CO 0.13 0.07 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.52 1d4a s PHE 228 N -2.81 2.65 -1.12 -1.77 0.40 -0.75 0.16 117.98 114.74 1d4a s PHE 228 Ca 0.19 -0.22 -0.17 0.00 -0.60 0.00 0.00 56.93 56.12 1d4a s PHE 228 Cb 0.19 -1.23 0.13 0.00 0.51 0.00 0.00 43.02 42.62 1d4a s PHE 228 CO 0.56 0.57 1.40 -0.51 0.70 0.00 0.00 175.22 177.94 1d4a s ASP 229 N -3.25 6.84 -0.70 1.36 1.01 0.73 -4.73 116.67 117.92 1d4a s ASP 229 Ca 0.28 -2.45 -0.05 0.00 0.71 0.00 0.00 52.55 51.04 1d4a s ASP 229 Cb -0.07 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1d4a s ASP 229 CO 0.17 -1.00 1.86 0.18 0.21 0.00 0.00 175.17 176.59 1d4a n LEU 230 N 6.74 3.80 -3.77 1.23 4.77 -1.26 -2.59 117.00 125.92 1d4a n LEU 230 Ca 0.35 -2.47 -0.11 0.00 -0.03 0.00 0.00 56.01 53.74 1d4a n LEU 230 Cb 0.46 -0.96 -0.08 0.00 -2.33 0.00 0.00 43.42 40.51 1d4a n LEU 230 CO 0.62 0.16 0.00 0.54 -1.33 0.00 0.00 177.39 177.38 1d4a s ASN 231 N 3.83 -0.09 0.52 -1.43 2.20 -1.26 -4.97 114.94 113.73 1d4a s ASN 231 Ca 0.31 -0.21 0.16 0.00 -0.94 0.00 0.00 52.86 52.19 1d4a s ASN 231 Cb 0.08 0.34 1.28 0.00 -2.00 0.00 0.00 41.25 40.95 1d4a s ASN 231 CO -0.02 -0.59 2.15 -0.26 -2.94 0.00 0.00 177.10 175.43 1d4a h PHE 232 N 3.31 0.00 0.38 1.54 0.04 -1.96 -2.02 116.94 118.23 1d4a h PHE 232 Ca -0.32 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.44 1d4a h PHE 232 Cb 1.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 1d4a h PHE 232 CO 0.47 0.01 -0.28 0.37 -0.60 0.00 0.00 178.31 178.27 1d4a h GLN 233 N 0.00 -0.61 0.00 1.51 5.75 -1.96 -2.48 115.11 117.32 1d4a h GLN 233 Ca -0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1d4a h GLN 233 Cb 0.01 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1d4a h GLN 233 CO 0.00 -0.41 0.00 0.00 -2.65 0.00 0.00 178.83 175.77 1d4a n ALA 234 N -2.50 2.08 -3.00 3.38 0.00 -1.18 -4.88 120.51 114.42 1d4a n ALA 234 Ca -0.08 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 1d4a n ALA 234 Cb 0.27 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 0.24 -0.52 4.06 0.00 0.00 -0.79 -2.88 105.19 105.30 1d4a n GLY 235 Ca 0.11 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.50 -1.69 -3.71 1.61 3.01 -1.01 -4.97 117.46 106.20 1d4a n PHE 236 Ca -0.12 0.76 -0.28 0.00 1.01 0.00 0.00 57.45 58.82 1d4a n PHE 236 Cb 0.62 -3.43 -0.03 0.00 -0.01 0.00 0.00 39.48 36.63 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 -7.11 4.24 0.32 4.37 1.43 -1.14 -4.66 118.68 116.13 1d4a s LEU 237 Ca 0.29 0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.53 1d4a s LEU 237 Cb -0.15 -3.18 -0.13 0.00 0.03 0.00 0.00 46.19 42.76 1d4a s LEU 237 CO 0.91 -0.01 1.11 0.23 0.23 0.00 0.00 176.35 178.81 1d4a n MET 238 N -0.47 1.62 -1.79 1.70 2.81 -1.26 -0.19 117.12 119.54 1d4a n MET 238 Ca -0.04 0.57 -0.42 0.00 -1.81 0.00 0.00 57.70 56.00 1d4a n MET 238 Cb 0.53 -2.03 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 1d4a n MET 238 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1d4a s LYS 239 N -1.71 4.13 0.55 0.03 1.02 0.12 -4.70 119.74 119.19 1d4a s LYS 239 Ca 0.58 2.56 0.30 0.00 0.02 0.00 0.00 55.97 59.43 1d4a s LYS 239 Cb -0.64 -3.04 1.47 0.00 -0.52 0.00 0.00 37.83 35.09 1d4a s LYS 239 CO 0.61 -0.64 1.89 0.87 -0.92 0.00 0.00 175.35 177.16 1d4a h LYS 240 N 5.32 0.00 -0.24 1.68 6.56 -1.89 0.31 116.57 128.30 1d4a h LYS 240 Ca -0.46 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 58.95 1d4a h LYS 240 Cb 1.22 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1d4a h LYS 240 CO 0.83 0.00 -0.55 0.93 -2.06 0.00 0.00 179.45 178.60 1d4a h GLU 241 N 0.00 0.74 -0.39 3.15 3.07 -1.96 -2.54 114.58 116.64 1d4a h GLU 241 Ca 0.37 -0.47 -0.11 0.00 -0.50 0.00 0.00 59.36 58.65 1d4a h GLU 241 Cb 1.56 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.51 1d4a h GLU 241 CO -0.00 1.09 -0.21 0.28 -1.40 0.00 0.00 179.01 178.77 1d4a h VAL 242 N 0.57 1.27 0.20 3.13 2.07 -0.78 -2.59 116.25 120.12 1d4a h VAL 242 Ca 0.01 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1d4a h VAL 242 Cb 1.13 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1d4a h VAL 242 CO 0.11 0.44 -0.10 1.56 0.02 0.00 0.00 177.57 179.61 1d4a h GLN 243 N 0.68 -0.26 -0.60 1.57 4.20 -1.03 -0.87 115.11 118.80 1d4a h GLN 243 Ca 0.10 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1d4a h GLN 243 Cb 0.72 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.50 1d4a h GLN 243 CO 0.06 -0.14 0.28 -0.44 -0.67 0.00 0.00 178.83 177.91 1d4a h ASP 244 N -0.31 0.37 -0.46 1.46 3.32 -1.37 -1.58 116.42 117.84 1d4a h ASP 244 Ca -0.03 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1d4a h ASP 244 Cb 0.24 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1d4a h ASP 244 CO 0.05 0.24 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.33 1d4a h GLU 245 N 0.52 0.94 0.00 3.56 5.08 -1.38 -2.81 114.58 120.49 1d4a h GLU 245 Ca 0.28 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1d4a h GLU 245 Cb 0.26 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1d4a h GLU 245 CO -0.23 1.01 -0.16 1.49 -1.00 0.00 0.00 179.01 180.13 1d4a h GLU 246 N 0.84 0.00 0.00 2.33 4.57 -0.56 -1.68 114.58 120.08 1d4a h GLU 246 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1d4a h GLU 246 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1d4a h GLU 246 CO 0.05 0.16 0.00 1.63 -1.18 0.00 0.00 179.01 179.67 1d4a n LYS 247 N -4.15 0.06 -0.00 1.92 5.02 -0.65 -0.23 118.16 120.12 1d4a n LYS 247 Ca -0.02 0.45 0.11 0.00 -2.02 0.00 0.00 58.31 56.83 1d4a n LYS 247 Cb 0.24 -1.65 0.10 0.00 -0.02 0.00 0.00 35.03 33.69 1d4a n LYS 247 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1d4a n ASN 248 N -1.77 2.91 -4.76 4.39 3.02 -0.63 -4.93 115.26 113.49 1d4a n ASN 248 Ca 0.01 -1.95 -0.38 0.00 -0.03 0.00 0.00 54.58 52.22 1d4a n ASN 248 Cb 0.08 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.91 4.24 0.15 3.52 -0.14 0.68 -5.00 119.74 121.28 1d4a s LYS 249 Ca 0.27 0.52 -0.13 0.00 -1.36 0.00 0.00 55.97 55.27 1d4a s LYS 249 Cb 0.19 -3.36 0.02 0.00 -1.68 0.00 0.00 37.83 33.00 1d4a s LYS 249 CO 0.29 0.34 1.62 -0.22 -0.76 0.00 0.00 175.35 176.62 1d4a h LYS 250 N 5.93 0.81 -6.20 1.68 3.64 -1.92 -3.45 116.57 117.07 1d4a h LYS 250 Ca -0.45 -0.23 -0.54 0.00 -1.27 0.00 0.00 60.65 58.16 1d4a h LYS 250 Cb 1.19 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 1d4a h LYS 250 CO 0.71 0.83 -0.61 -0.06 -2.27 0.00 0.00 179.45 178.05 1d4a s PHE 251 N -5.13 2.81 0.90 1.91 0.08 -1.26 -4.24 117.98 113.05 1d4a s PHE 251 Ca -0.13 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 1d4a s PHE 251 Cb 0.11 -1.26 0.13 0.00 -0.57 0.00 0.00 43.02 41.43 1d4a s PHE 251 CO 0.81 0.59 1.16 0.20 -0.10 0.00 0.00 175.22 177.87 1d4a s GLY 252 N -3.73 1.59 0.21 4.36 0.00 -0.53 -4.93 107.32 104.29 1d4a s GLY 252 Ca 0.32 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.48 1d4a s GLY 252 CO 0.21 -0.04 1.49 1.41 0.00 0.00 0.00 173.10 176.17 1d4a h LEU 253 N -1.43 0.26 0.00 0.66 3.38 -1.42 -3.38 115.31 113.38 1d4a h LEU 253 Ca -0.49 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.38 1d4a h LEU 253 Cb 1.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1d4a h LEU 253 CO 0.61 0.89 0.36 -1.54 0.09 0.00 0.00 178.44 178.85 1d4a n SER 254 N -3.79 -1.37 -0.01 -0.43 3.41 -1.18 -4.75 113.62 105.50 1d4a n SER 254 Ca -0.03 -1.80 -0.09 0.00 -0.26 0.00 0.00 58.87 56.69 1d4a n SER 254 Cb 0.69 2.25 -0.04 0.00 -0.26 0.00 0.00 64.21 66.85 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 1.71 0.76 -0.03 -3.33 2.07 -1.92 -1.64 116.25 113.87 1d4a h VAL 255 Ca -0.21 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 1d4a h VAL 255 Cb 0.87 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1d4a h VAL 255 CO 0.28 0.00 -0.71 1.23 0.02 0.00 0.00 177.57 178.39 1d4a h GLY 256 N -0.07 0.20 -5.25 2.17 0.00 -1.96 -3.25 103.07 94.90 1d4a h GLY 256 Ca 0.08 -0.28 -0.72 0.00 0.00 0.00 0.00 47.33 46.40 1d4a h GLY 256 CO -0.17 0.25 0.48 1.42 0.00 0.00 0.00 176.54 178.52 1d4a n HIS 257 N -3.77 3.15 0.41 5.60 -0.00 -1.05 -4.67 115.22 114.88 1d4a n HIS 257 Ca -0.02 -2.75 0.13 0.00 -0.00 0.00 0.00 57.72 55.08 1d4a n HIS 257 Cb 0.69 -0.88 0.44 0.00 -0.00 0.00 0.00 29.99 30.24 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 3.21 0.00 -1.00 4.41 2.07 -1.34 -0.75 115.15 121.75 1d4a h HIS 258 Ca 0.45 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.82 1d4a h HIS 258 Cb 0.34 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.26 1d4a h HIS 258 CO 1.10 0.00 -0.14 1.28 -3.07 0.00 0.00 177.93 177.10 1d4a n LEU 259 N -2.60 -0.38 0.00 6.12 4.77 -1.26 -0.07 117.00 123.58 1d4a n LEU 259 Ca 0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1d4a n LEU 259 Cb 0.37 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 1d4a n LEU 259 CO 0.27 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 1d4a n GLY 260 N 0.03 0.78 1.91 -0.72 0.00 -1.26 -5.06 105.19 100.87 1d4a n GLY 260 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.35 1.23 -2.14 1.61 5.02 0.90 -5.09 118.16 117.35 1d4a n LYS 261 Ca 0.00 -1.84 -0.42 0.00 -2.02 0.00 0.00 58.31 54.03 1d4a n LYS 261 Cb 0.00 0.37 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 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 -2.54 6.80 -0.05 4.39 0.01 -1.26 -4.64 113.70 116.41 1d4a s SER 262 Ca 0.07 2.41 -0.30 0.00 1.31 0.00 0.00 55.95 59.44 1d4a s SER 262 Cb -0.01 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1d4a s SER 262 CO 0.05 -0.65 1.13 -0.63 0.41 0.00 0.00 173.24 173.55 1d4a s ILE 263 N 0.77 4.41 0.10 1.44 1.01 -1.26 -1.45 121.20 126.23 1d4a s ILE 263 Ca 0.63 1.72 -0.35 0.00 0.00 0.00 0.00 60.65 62.65 1d4a s ILE 263 Cb -0.38 -4.11 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 1d4a s ILE 263 CO 0.33 0.03 1.50 -0.81 0.00 0.00 0.00 174.94 175.99 1d4a n PRO 264 N 4.86 1.68 -1.59 2.79 -0.04 -1.26 -4.80 135.00 136.66 1d4a n PRO 264 Ca 0.10 0.61 -0.52 0.00 -0.04 0.00 0.00 63.50 63.64 1d4a n PRO 264 Cb 0.47 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.15 0.02 -4.16 0.52 -1.04 -1.26 -2.27 114.28 109.24 1d4a n THR 265 Ca 0.18 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.85 1d4a n THR 265 Cb 0.24 -0.80 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 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 2.49 -2.91 0.06 8.00 8.00 -1.26 -4.85 116.55 126.06 1d4a n ASP 266 Ca 0.18 -1.00 0.16 0.00 0.71 0.00 0.00 54.79 54.84 1d4a n ASP 266 Cb 0.19 -2.87 0.65 0.00 -0.02 0.00 0.00 41.12 39.07 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 -1.60 0.05 -0.12 -2.24 -1.24 -1.70 0.18 115.58 108.91 1d4a h ASN 267 Ca -0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.41 1d4a h ASN 267 Cb 1.38 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.42 1d4a h ASN 267 CO 0.75 0.03 0.00 0.00 -1.29 0.00 0.00 177.43 176.92 1d4a n GLN 268 N -4.43 1.43 -0.03 6.67 1.13 -1.26 -4.36 117.38 116.52 1d4a n GLN 268 Ca 0.06 -1.56 -0.04 0.00 -1.94 0.00 0.00 57.00 53.52 1d4a n GLN 268 Cb 0.44 -1.29 -0.03 0.00 0.11 0.00 0.00 30.24 29.46 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 0.80 0.40 -5.17 5.09 5.41 -0.79 -4.54 119.36 120.55 1d4a n ILE 269 Ca 0.10 -0.17 -0.30 0.00 1.00 0.00 0.00 62.75 63.38 1d4a n ILE 269 Cb 0.39 -0.77 -0.16 0.00 -0.71 0.00 0.00 39.64 38.39 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 -2.14 2.21 0.32 0.38 -0.14 0.56 -4.24 119.74 116.69 1d4a s LYS 270 Ca -0.08 -0.84 -0.05 0.00 -1.36 0.00 0.00 55.97 53.64 1d4a s LYS 270 Cb 0.02 -1.96 0.07 0.00 -1.68 0.00 0.00 37.83 34.28 1d4a s LYS 270 CO 0.17 0.41 0.43 0.00 -0.76 0.00 0.00 175.35 175.60 1d4a n ALA 271 N 2.81 -0.45 -3.00 5.17 0.00 -1.26 -4.57 120.51 119.21 1d4a n ALA 271 Ca -0.17 -0.58 -0.11 0.00 0.00 0.00 0.00 53.44 52.58 1d4a n ALA 271 Cb 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.97 1d4a n ALA 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1d4a n ARG 272 N -1.90 -2.29 0.00 0.00 1.74 -1.26 -5.02 116.66 107.92 1d4a n ARG 272 Ca 0.06 1.97 0.00 0.00 -0.77 0.00 0.00 57.85 59.10 1d4a n ARG 272 Cb 0.19 -4.17 0.00 0.00 -1.02 0.00 0.00 32.46 27.46 1d4a n ARG 272 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28