#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h94 s SER 2 N 0.00 6.76 0.03 4.52 0.01 -1.26 -4.94 113.70 118.82 1h94 s SER 2 Ca 0.00 2.63 -0.22 0.00 1.31 0.00 0.00 55.95 59.66 1h94 s SER 2 Cb 0.00 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 1h94 s SER 2 CO 0.00 -0.59 0.67 -0.70 0.41 0.00 0.00 173.24 173.03 1h94 s GLU 3 N -1.01 4.39 -0.41 12.44 2.12 -1.26 -4.63 118.70 130.34 1h94 s GLU 3 Ca 0.54 0.89 -0.17 0.00 0.36 0.00 0.00 54.97 56.59 1h94 s GLU 3 Cb -0.40 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.67 1h94 s GLU 3 CO 0.47 0.37 0.43 0.42 -0.54 0.00 0.00 175.26 176.41 1h94 s ILE 4 N -0.29 5.10 -0.54 -3.70 1.01 0.02 -5.04 121.20 117.78 1h94 s ILE 4 Ca 0.34 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 1h94 s ILE 4 Cb -0.20 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1h94 s ILE 4 CO 0.20 -0.38 0.71 -0.54 0.00 0.00 0.00 174.94 174.93 1h94 s LYS 5 N 2.12 3.14 0.13 2.79 1.02 -1.26 -4.76 119.74 122.92 1h94 s LYS 5 Ca 0.12 -0.85 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 1h94 s LYS 5 Cb -0.17 -4.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1h94 s LYS 5 CO 0.13 -1.35 0.26 -0.08 -0.92 0.00 0.00 175.35 173.40 1h94 s THR 6 N 2.95 0.10 -0.10 2.17 -1.32 -1.23 -4.77 115.64 113.44 1h94 s THR 6 Ca 0.18 -1.18 -0.01 0.00 -1.21 0.00 0.00 61.69 59.46 1h94 s THR 6 Cb -0.19 -1.53 0.03 0.00 -1.51 0.00 0.00 72.50 69.30 1h94 s THR 6 CO 0.12 -0.45 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.82 1h94 s LEU 7 N -2.90 0.96 -0.11 9.08 0.20 -0.29 -3.02 118.68 122.59 1h94 s LEU 7 Ca 0.10 -0.26 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 1h94 s LEU 7 Cb 0.04 -0.66 -0.02 0.00 -0.43 0.00 0.00 46.19 45.11 1h94 s LEU 7 CO -0.06 -0.16 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.06 1h94 s VAL 8 N 1.82 3.57 -0.20 1.68 1.01 -0.81 -1.46 120.40 126.01 1h94 s VAL 8 Ca 0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1h94 s VAL 8 Cb -0.13 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1h94 s VAL 8 CO -0.07 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.62 1h94 s THR 9 N -0.11 3.22 -0.52 3.92 2.01 0.30 -0.98 115.64 123.49 1h94 s THR 9 Ca 0.01 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1h94 s THR 9 Cb -0.13 -2.44 0.12 0.00 0.01 0.00 0.00 72.50 70.06 1h94 s THR 9 CO 0.03 0.45 0.45 -0.36 -0.69 0.00 0.00 174.62 174.50 1h94 s PHE 10 N 1.30 3.29 -0.34 4.92 0.08 -0.72 -0.18 117.98 126.34 1h94 s PHE 10 Ca 0.04 -1.41 -0.29 0.00 0.12 0.00 0.00 56.93 55.39 1h94 s PHE 10 Cb -0.14 -3.66 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 1h94 s PHE 10 CO -0.03 -0.99 1.38 -0.06 -0.10 0.00 0.00 175.22 175.42 1h94 s PHE 11 N 1.54 2.50 0.00 0.36 0.08 0.68 -2.32 117.98 120.82 1h94 s PHE 11 Ca 0.04 0.75 0.00 0.00 0.12 0.00 0.00 56.93 57.84 1h94 s PHE 11 Cb -0.28 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.07 1h94 s PHE 11 CO 0.02 -1.96 0.00 0.41 -0.10 0.00 0.00 175.22 173.60 1h94 n GLY 12 N 4.69 1.26 0.02 4.36 0.00 -0.20 -0.43 105.19 114.90 1h94 n GLY 12 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h94 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h94 n GLY 13 N -0.47 -0.39 0.00 -0.02 0.00 -0.40 -2.13 105.19 101.79 1h94 n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h94 n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h94 n THR 14 N -0.47 0.16 -0.91 2.61 -2.24 -1.26 -4.72 114.28 107.44 1h94 n THR 14 Ca 0.00 -0.53 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 1h94 n THR 14 Cb 0.00 1.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.30 1h94 n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h94 n GLY 15 N -0.08 -2.02 0.11 3.38 0.00 -0.91 -4.79 105.19 100.89 1h94 n GLY 15 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 1h94 n GLY 15 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1h94 h ASP 16 N -1.11 -0.23 -1.02 1.61 3.58 -1.98 -2.43 116.42 114.84 1h94 h ASP 16 Ca -0.12 0.01 0.25 0.00 0.42 0.00 0.00 57.03 57.58 1h94 h ASP 16 Cb 0.36 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.36 1h94 h ASP 16 CO 0.08 -0.12 0.62 0.25 -2.88 0.00 0.00 179.24 177.20 1h94 h LEU 17 N -0.37 0.61 0.73 2.28 5.85 -1.95 0.24 115.31 122.70 1h94 h LEU 17 Ca -0.03 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1h94 h LEU 17 Cb 0.21 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1h94 h LEU 17 CO 0.05 0.11 -0.38 0.00 -0.34 0.00 0.00 178.44 177.88 1h94 h ALA 18 N 1.69 -1.25 -0.00 1.25 0.00 -1.83 -0.71 119.26 118.40 1h94 h ALA 18 Ca 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1h94 h ALA 18 Cb 1.29 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1h94 h ALA 18 CO -0.41 -1.19 -0.05 0.36 0.00 0.00 0.00 179.25 177.96 1h94 n LYS 19 N -4.84 0.69 -0.04 0.00 0.00 -0.84 -1.19 118.16 111.93 1h94 n LYS 19 Ca -0.13 -0.14 0.01 0.00 -0.00 0.00 0.00 58.31 58.05 1h94 n LYS 19 Cb 0.41 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.82 1h94 n LYS 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1h94 n ARG 20 N -1.03 0.96 0.00 -1.58 0.63 0.79 -4.51 116.66 111.91 1h94 n ARG 20 Ca 0.16 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1h94 n ARG 20 Cb 0.24 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1h94 n ARG 20 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1h94 n LYS 21 N -2.32 0.00 0.21 -0.14 5.02 -0.40 -4.79 118.16 115.73 1h94 n LYS 21 Ca -0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.00 1h94 n LYS 21 Cb 0.71 -0.25 -0.08 0.00 -0.02 0.00 0.00 35.03 35.40 1h94 n LYS 21 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1h94 h LEU 22 N 0.00 -1.03 -0.61 -0.35 3.38 -1.09 -0.43 115.31 115.18 1h94 h LEU 22 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1h94 h LEU 22 Cb 0.11 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1h94 h LEU 22 CO 0.00 -0.51 0.38 1.88 0.09 0.00 0.00 178.44 180.28 1h94 h TYR 23 N -0.74 0.80 -0.38 1.13 0.05 -1.40 -1.72 116.97 114.70 1h94 h TYR 23 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1h94 h TYR 23 Cb 0.68 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1h94 h TYR 23 CO -0.23 0.54 0.21 -1.35 -1.05 0.00 0.00 178.16 176.27 1h94 h PRO 24 N 0.83 0.53 -0.67 4.88 0.11 -1.78 -1.45 132.00 134.45 1h94 h PRO 24 Ca 0.22 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.32 1h94 h PRO 24 Cb -0.04 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 30.92 1h94 h PRO 24 CO -0.04 0.44 0.37 0.77 -0.21 0.00 0.00 178.00 179.33 1h94 h SER 25 N 0.49 0.55 0.32 -2.05 0.02 -0.87 0.55 113.55 112.56 1h94 h SER 25 Ca 0.13 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1h94 h SER 25 Cb 0.06 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1h94 h SER 25 CO -0.02 0.36 -0.26 0.58 -1.14 0.00 0.00 176.83 176.35 1h94 h VAL 26 N 0.69 1.07 -0.19 2.27 2.07 -1.07 -2.45 116.25 118.65 1h94 h VAL 26 Ca 0.30 -0.92 -0.20 0.00 0.82 0.00 0.00 66.70 66.70 1h94 h VAL 26 Cb 0.18 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1h94 h VAL 26 CO -0.18 0.25 -0.66 0.15 0.02 0.00 0.00 177.57 177.15 1h94 h PHE 27 N 0.00 0.94 -0.96 1.57 3.57 0.14 -2.98 116.94 119.22 1h94 h PHE 27 Ca -0.00 -0.38 0.01 0.00 3.53 0.00 0.00 57.97 61.13 1h94 h PHE 27 Cb 0.49 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1h94 h PHE 27 CO 0.00 1.18 0.63 -0.91 -2.23 0.00 0.00 178.31 176.99 1h94 h ASN 28 N 0.52 1.09 0.47 0.41 4.21 -0.70 0.18 115.58 121.76 1h94 h ASN 28 Ca -0.02 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1h94 h ASN 28 Cb 1.26 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.20 1h94 h ASN 28 CO 0.13 0.78 0.00 -0.07 -1.29 0.00 0.00 177.43 176.99 1h94 h LEU 29 N 1.29 0.00 0.13 1.61 3.38 -1.38 0.33 115.31 120.66 1h94 h LEU 29 Ca 0.36 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.01 1h94 h LEU 29 Cb -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1h94 h LEU 29 CO -0.08 0.00 -1.62 0.22 0.09 0.00 0.00 178.44 177.04 1h94 h TYR 30 N 0.00 0.49 -0.92 1.13 3.20 -0.75 -1.19 116.97 118.94 1h94 h TYR 30 Ca 0.00 -0.36 -0.00 0.00 3.14 0.00 0.00 58.73 61.51 1h94 h TYR 30 Cb 0.23 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1h94 h TYR 30 CO 0.00 1.64 0.56 0.87 -1.64 0.00 0.00 178.16 179.58 1h94 h LYS 31 N -0.16 1.24 -0.05 1.82 1.57 0.21 -1.39 116.57 119.80 1h94 h LYS 31 Ca -0.35 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1h94 h LYS 31 Cb 1.88 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1h94 h LYS 31 CO 0.08 0.86 0.00 1.63 -0.57 0.00 0.00 179.45 181.45 1h94 n LYS 32 N -4.39 0.87 -0.91 3.15 5.02 0.01 -4.87 118.16 117.05 1h94 n LYS 32 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1h94 n LYS 32 Cb 0.05 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1h94 n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h94 n GLY 33 N 0.35 0.35 0.20 0.72 0.00 -0.52 -4.88 105.19 101.41 1h94 n GLY 33 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1h94 n GLY 33 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1h94 h TYR 34 N 0.00 0.82 -3.74 1.61 0.05 -1.53 -3.41 116.97 110.77 1h94 h TYR 34 Ca 0.00 -0.27 -0.64 0.00 0.05 0.00 0.00 58.73 57.87 1h94 h TYR 34 Cb 0.31 -0.16 -0.19 0.00 1.01 0.00 0.00 36.73 37.69 1h94 h TYR 34 CO 0.19 1.02 -0.57 -0.51 -1.05 0.00 0.00 178.16 177.25 1h94 s LEU 35 N -8.90 3.77 0.01 3.88 1.02 -0.53 -0.80 118.68 117.13 1h94 s LEU 35 Ca -0.12 -0.08 -0.00 0.00 0.02 0.00 0.00 54.13 53.94 1h94 s LEU 35 Cb 0.08 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.26 1h94 s LEU 35 CO 0.83 -0.02 -0.00 0.00 0.02 0.00 0.00 176.35 177.17 1h94 n GLN 36 N 4.86 0.00 0.06 1.70 6.02 -1.26 -4.52 117.38 124.25 1h94 n GLN 36 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1h94 n GLN 36 Cb 0.52 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.67 1h94 n GLN 36 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1h94 n LYS 37 N -2.67 0.00 -0.72 -1.09 5.02 -1.26 -4.91 118.16 112.54 1h94 n LYS 37 Ca -0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1h94 n LYS 37 Cb 0.00 -0.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.68 1h94 n LYS 37 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1h94 n HIS 38 N -3.28 1.28 -3.73 2.13 8.25 -1.26 -4.76 115.22 113.85 1h94 n HIS 38 Ca 0.00 -1.89 -0.11 0.00 -0.26 0.00 0.00 57.72 55.46 1h94 n HIS 38 Cb 0.10 -1.63 -0.07 0.00 1.12 0.00 0.00 29.99 29.52 1h94 n HIS 38 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1h94 s PHE 39 N 3.37 -0.13 0.03 4.41 -0.71 -1.26 -3.50 117.98 120.18 1h94 s PHE 39 Ca 0.39 -0.03 -0.22 0.00 -1.04 0.00 0.00 56.93 56.03 1h94 s PHE 39 Cb 0.10 0.13 0.05 0.00 -1.21 0.00 0.00 43.02 42.09 1h94 s PHE 39 CO -0.03 -0.55 0.51 0.00 -1.34 0.00 0.00 175.22 173.81 1h94 s ALA 40 N -2.79 -1.29 -0.12 1.99 0.00 -1.17 -4.90 121.76 113.48 1h94 s ALA 40 Ca -0.03 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1h94 s ALA 40 Cb -0.00 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1h94 s ALA 40 CO -0.05 -0.45 -0.15 0.42 0.00 0.00 0.00 175.76 175.53 1h94 s ILE 41 N -2.14 1.53 -0.37 0.00 -1.09 -0.48 -1.92 121.20 116.74 1h94 s ILE 41 Ca -0.07 -0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 57.65 1h94 s ILE 41 Cb -0.01 -1.42 0.06 0.00 -1.58 0.00 0.00 42.46 39.51 1h94 s ILE 41 CO 0.01 0.45 0.15 -0.69 -1.23 0.00 0.00 174.94 173.63 1h94 s VAL 42 N 1.18 3.76 0.70 2.92 1.01 -0.15 -1.97 120.40 127.84 1h94 s VAL 42 Ca -0.02 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 1h94 s VAL 42 Cb -0.14 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1h94 s VAL 42 CO -0.05 -0.33 1.08 -0.83 0.00 0.00 0.00 175.10 174.97 1h94 s GLY 43 N 1.64 1.64 -0.17 4.51 0.00 -0.53 -1.75 107.32 112.65 1h94 s GLY 43 Ca 0.01 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 1h94 s GLY 43 CO 0.01 0.12 0.95 -1.08 0.00 0.00 0.00 173.10 173.10 1h94 s THR 44 N -3.26 0.00 0.00 0.90 -1.32 -1.08 -3.50 115.64 107.38 1h94 s THR 44 Ca 0.58 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 1h94 s THR 44 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1h94 s THR 44 CO 0.53 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.94 1h94 n ALA 45 N 1.12 0.00 0.05 11.08 0.00 -1.25 -1.03 120.51 130.47 1h94 n ALA 45 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 1h94 n ALA 45 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 1h94 n ALA 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1h94 h ARG 46 N 0.00 0.26 -6.99 0.00 0.11 -1.91 0.24 114.38 106.08 1h94 h ARG 46 Ca 0.00 -0.44 -0.54 0.00 0.10 0.00 0.00 59.98 59.10 1h94 h ARG 46 Cb 0.00 0.16 0.12 0.00 1.11 0.00 0.00 29.97 31.36 1h94 h ARG 46 CO 0.00 1.11 0.70 -0.65 0.10 0.00 0.00 179.97 181.23 1h94 s GLN 47 N -2.60 3.71 -0.54 0.08 1.11 -1.26 -4.47 119.66 115.69 1h94 s GLN 47 Ca -0.12 2.41 -0.02 0.00 0.01 0.00 0.00 55.36 57.64 1h94 s GLN 47 Cb 0.07 -2.67 0.33 0.00 -1.01 0.00 0.00 33.01 29.73 1h94 s GLN 47 CO 0.83 -0.80 2.09 0.00 0.01 0.00 0.00 175.29 177.42 1h94 n ALA 48 N -0.17 5.91 -1.68 6.09 0.00 -1.26 -4.48 120.51 124.93 1h94 n ALA 48 Ca 0.05 -2.82 -0.44 0.00 0.00 0.00 0.00 53.44 50.23 1h94 n ALA 48 Cb 0.42 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1h94 n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h94 n LEU 49 N -0.29 3.81 -4.79 0.00 4.77 -1.26 -4.93 117.00 114.31 1h94 n LEU 49 Ca 0.49 0.97 -0.31 0.00 -0.03 0.00 0.00 56.01 57.13 1h94 n LEU 49 Cb 0.59 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 40.27 1h94 n LEU 49 CO 0.59 0.07 0.70 0.54 -1.33 0.00 0.00 177.39 177.96 1h94 s ASN 50 N 3.40 4.92 0.64 -1.43 2.20 -1.26 -4.70 114.94 118.72 1h94 s ASN 50 Ca 0.87 1.71 0.16 0.00 -0.94 0.00 0.00 52.86 54.66 1h94 s ASN 50 Cb -0.55 -2.50 0.74 0.00 -2.00 0.00 0.00 41.25 36.95 1h94 s ASN 50 CO 0.43 -1.75 1.37 0.44 -2.94 0.00 0.00 177.10 174.65 1h94 h ASP 51 N -0.93 0.00 0.40 3.54 5.19 -1.91 0.37 116.42 123.08 1h94 h ASP 51 Ca -0.44 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.66 1h94 h ASP 51 Cb 1.22 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.69 1h94 h ASP 51 CO 0.54 0.00 -1.76 0.44 -3.12 0.00 0.00 179.24 175.34 1h94 h ASP 52 N 0.00 0.14 0.04 6.45 3.32 -2.01 -3.32 116.42 121.06 1h94 h ASP 52 Ca 0.15 -0.31 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 1h94 h ASP 52 Cb 1.87 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.37 1h94 h ASP 52 CO -0.00 1.27 -0.47 -0.33 -1.72 0.00 0.00 179.24 178.00 1h94 h GLU 53 N 0.03 0.50 0.37 3.56 5.08 -0.61 -3.11 114.58 120.39 1h94 h GLU 53 Ca -0.32 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 57.75 1h94 h GLU 53 Cb 2.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1h94 h GLU 53 CO 0.09 0.86 -0.18 0.35 -1.00 0.00 0.00 179.01 179.13 1h94 h PHE 54 N 0.40 -0.46 -0.79 4.33 3.57 -1.55 -2.60 116.94 119.84 1h94 h PHE 54 Ca 0.02 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.69 1h94 h PHE 54 Cb 0.97 0.15 -0.12 0.00 2.79 0.00 0.00 35.95 39.75 1h94 h PHE 54 CO 0.04 -0.19 0.23 0.87 -2.23 0.00 0.00 178.31 177.03 1h94 h LYS 55 N -0.67 0.29 -0.68 1.11 1.57 -1.65 0.20 116.57 116.74 1h94 h LYS 55 Ca -0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1h94 h LYS 55 Cb 0.48 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1h94 h LYS 55 CO 0.08 0.19 0.35 0.37 -0.57 0.00 0.00 179.45 179.88 1h94 h GLN 56 N 0.30 0.97 -0.50 3.15 -0.00 -1.51 -0.50 115.11 117.02 1h94 h GLN 56 Ca 0.46 -0.13 0.06 0.00 -0.00 0.00 0.00 58.65 59.04 1h94 h GLN 56 Cb 0.81 -0.18 -0.05 0.00 0.00 0.00 0.00 27.48 28.06 1h94 h GLN 56 CO -0.53 0.75 0.21 1.25 0.00 0.00 0.00 178.83 180.51 1h94 h LEU 57 N 0.94 0.26 -0.68 -2.39 6.46 -0.25 -1.88 115.31 117.77 1h94 h LEU 57 Ca 0.24 0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.91 1h94 h LEU 57 Cb 0.08 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1h94 h LEU 57 CO -0.03 0.18 -0.42 0.58 -0.62 0.00 0.00 178.44 178.12 1h94 h VAL 58 N 0.41 1.30 0.00 1.05 2.07 -0.88 -2.74 116.25 117.46 1h94 h VAL 58 Ca 0.23 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1h94 h VAL 58 Cb 0.21 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1h94 h VAL 58 CO -0.21 0.50 -0.02 -0.09 0.02 0.00 0.00 177.57 177.76 1h94 h ARG 59 N 0.43 0.00 0.00 1.57 2.43 -0.32 -1.39 114.38 117.10 1h94 h ARG 59 Ca 0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 1h94 h ARG 59 Cb 0.92 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1h94 h ARG 59 CO 0.08 0.02 -1.11 0.22 -1.51 0.00 0.00 179.97 177.68 1h94 h ASP 60 N 0.00 0.00 0.01 -3.80 3.58 -1.11 -2.63 116.42 112.48 1h94 h ASP 60 Ca -0.00 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 1h94 h ASP 60 Cb 0.08 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.15 1h94 h ASP 60 CO 0.00 0.74 -1.04 0.77 -2.88 0.00 0.00 179.24 176.83 1h94 h SER 61 N 0.00 0.90 -0.46 2.28 4.64 -1.22 -3.08 113.55 116.61 1h94 h SER 61 Ca -0.10 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 1h94 h SER 61 Cb 1.66 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1h94 h SER 61 CO 0.08 1.53 0.00 2.30 -0.87 0.00 0.00 176.83 179.87 1h94 n ILE 62 N -3.87 2.12 0.00 0.95 -5.35 -0.78 -4.60 119.36 107.83 1h94 n ILE 62 Ca -0.11 -1.09 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 1h94 n ILE 62 Cb 0.88 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1h94 n ILE 62 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1h94 n LYS 63 N 0.52 0.00 -0.12 6.28 4.81 -0.99 -3.84 118.16 124.83 1h94 n LYS 63 Ca 0.22 0.42 0.26 0.00 -0.87 0.00 0.00 58.31 58.34 1h94 n LYS 63 Cb 0.98 -1.31 0.72 0.00 0.02 0.00 0.00 35.03 35.44 1h94 n LYS 63 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1h94 h ASP 64 N 0.00 0.00 -2.23 3.14 5.19 -1.81 -3.08 116.42 117.63 1h94 h ASP 64 Ca 0.00 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 1h94 h ASP 64 Cb 0.00 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.16 1h94 h ASP 64 CO 0.00 0.00 0.12 2.22 -3.12 0.00 0.00 179.24 178.46 1h94 n PHE 65 N -4.25 3.46 -3.78 4.55 -1.74 -1.25 -4.95 117.46 109.50 1h94 n PHE 65 Ca 0.16 -3.30 -0.13 0.00 -0.56 0.00 0.00 57.45 53.62 1h94 n PHE 65 Cb 0.86 -0.79 -0.10 0.00 1.52 0.00 0.00 39.48 40.97 1h94 n PHE 65 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1h94 s THR 66 N -4.49 0.04 0.00 1.97 -4.23 -1.17 -5.05 115.64 102.71 1h94 s THR 66 Ca 0.45 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1h94 s THR 66 Cb 0.25 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.58 1h94 s THR 66 CO -0.15 -0.18 0.00 0.47 -0.54 0.00 0.00 174.62 174.22 1h94 n ASP 67 N 1.95 0.74 -4.53 3.99 8.00 -1.26 -4.94 116.55 120.49 1h94 n ASP 67 Ca -0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 1h94 n ASP 67 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1h94 n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h94 s ASP 68 N -4.44 6.30 0.48 -2.24 2.15 -1.26 -4.85 116.67 112.82 1h94 s ASP 68 Ca 0.00 -0.36 0.16 0.00 0.43 0.00 0.00 52.55 52.78 1h94 s ASP 68 Cb 0.00 -2.49 1.16 0.00 -0.30 0.00 0.00 42.92 41.29 1h94 s ASP 68 CO 0.00 -1.46 2.07 -0.61 -0.17 0.00 0.00 175.17 175.00 1h94 h GLN 69 N 9.56 0.00 0.00 4.34 5.75 -2.00 -2.02 115.11 130.74 1h94 h GLN 69 Ca -0.27 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.19 1h94 h GLN 69 Cb 1.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1h94 h GLN 69 CO 1.17 0.10 -0.20 0.00 -2.65 0.00 0.00 178.83 177.26 1h94 h ALA 70 N 1.90 1.45 -0.32 3.38 0.00 -2.00 -1.07 119.26 122.60 1h94 h ALA 70 Ca -0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1h94 h ALA 70 Cb 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h94 h ALA 70 CO 0.01 0.24 -0.51 0.37 0.00 0.00 0.00 179.25 179.37 1h94 h GLN 71 N 0.00 0.90 0.58 0.00 4.15 -1.77 -2.93 115.11 116.04 1h94 h GLN 71 Ca -0.00 -0.54 -0.03 0.00 0.77 0.00 0.00 58.65 58.85 1h94 h GLN 71 Cb 0.40 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.15 1h94 h GLN 71 CO 0.03 1.18 -0.28 0.00 -1.93 0.00 0.00 178.83 177.83 1h94 h ALA 72 N 0.72 -0.78 -0.54 3.38 0.00 -1.17 -2.91 119.26 117.96 1h94 h ALA 72 Ca 0.03 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1h94 h ALA 72 Cb 1.11 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 1h94 h ALA 72 CO 0.12 -0.88 0.10 0.93 0.00 0.00 0.00 179.25 179.51 1h94 h GLU 73 N -0.90 0.22 -0.02 0.00 4.39 -1.35 0.14 114.58 117.06 1h94 h GLU 73 Ca -0.08 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1h94 h GLU 73 Cb 0.64 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1h94 h GLU 73 CO 0.13 0.15 0.02 0.00 -1.16 0.00 0.00 179.01 178.15 1h94 h ALA 74 N 1.43 1.87 0.03 3.43 0.00 -1.51 -1.73 119.26 122.77 1h94 h ALA 74 Ca 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1h94 h ALA 74 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h94 h ALA 74 CO -0.37 -0.03 -0.01 0.35 0.00 0.00 0.00 179.25 179.19 1h94 h PHE 75 N 0.00 -0.03 -0.93 0.00 3.57 -0.89 -3.33 116.94 115.32 1h94 h PHE 75 Ca 0.01 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.78 1h94 h PHE 75 Cb 0.05 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1h94 h PHE 75 CO 0.00 0.37 0.71 0.82 -2.23 0.00 0.00 178.31 177.98 1h94 h ILE 76 N -0.99 0.46 0.00 1.41 2.04 -0.75 0.43 117.51 120.11 1h94 h ILE 76 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1h94 h ILE 76 Cb 0.41 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1h94 h ILE 76 CO 0.01 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.54 1h94 n GLU 77 N -4.12 0.44 -0.14 2.37 1.02 -0.68 -1.83 120.64 117.71 1h94 n GLU 77 Ca 0.19 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1h94 n GLU 77 Cb 1.03 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 31.14 1h94 n GLU 77 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1h94 n HIS 78 N -1.02 0.37 -3.91 -0.32 8.25 0.14 -4.95 115.22 113.78 1h94 n HIS 78 Ca 0.11 -0.19 -0.31 0.00 -0.26 0.00 0.00 57.72 57.06 1h94 n HIS 78 Cb 0.05 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 1h94 n HIS 78 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1h94 s PHE 79 N -1.61 3.53 0.08 4.41 0.40 -0.76 -1.38 117.98 122.64 1h94 s PHE 79 Ca 0.36 0.28 -0.08 0.00 -0.60 0.00 0.00 56.93 56.89 1h94 s PHE 79 Cb 0.22 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.97 1h94 s PHE 79 CO 0.31 0.60 0.17 -1.54 0.70 0.00 0.00 175.22 175.46 1h94 s SER 80 N -2.39 0.14 0.10 1.36 1.04 -0.83 -4.96 113.70 108.15 1h94 s SER 80 Ca 0.34 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1h94 s SER 80 Cb -0.13 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1h94 s SER 80 CO 0.26 -0.69 -0.10 -0.47 0.98 0.00 0.00 173.24 173.22 1h94 s TYR 81 N -3.66 1.08 -0.22 5.02 6.14 -1.26 -1.46 117.35 123.00 1h94 s TYR 81 Ca 0.03 -0.67 -0.14 0.00 0.64 0.00 0.00 57.07 56.94 1h94 s TYR 81 Cb 0.04 -0.59 0.06 0.00 0.42 0.00 0.00 41.96 41.90 1h94 s TYR 81 CO -0.10 0.01 0.54 0.50 0.64 0.00 0.00 175.55 177.14 1h94 s ARG 82 N -2.88 0.57 0.32 4.97 6.06 -1.23 -4.83 118.95 121.93 1h94 s ARG 82 Ca 0.06 0.93 -0.27 0.00 -2.50 0.00 0.00 55.73 53.96 1h94 s ARG 82 Cb -0.02 0.12 -0.09 0.00 0.06 0.00 0.00 34.95 35.02 1h94 s ARG 82 CO -0.00 -0.13 1.01 0.00 -2.50 0.00 0.00 175.30 173.68 1h94 s ALA 83 N 1.18 3.25 -0.29 6.12 0.00 -1.26 -3.87 121.76 126.88 1h94 s ALA 83 Ca -0.07 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 1h94 s ALA 83 Cb -0.06 -3.25 0.16 0.00 0.00 0.00 0.00 23.12 19.97 1h94 s ALA 83 CO -0.11 -0.01 1.04 -1.58 0.00 0.00 0.00 175.76 175.10 1h94 s HIS 84 N -1.44 -0.46 -0.20 0.00 5.04 0.83 -4.88 115.29 114.18 1h94 s HIS 84 Ca 0.49 0.91 -0.15 0.00 -1.54 0.00 0.00 55.06 54.77 1h94 s HIS 84 Cb -0.24 0.27 -0.04 0.00 0.04 0.00 0.00 32.58 32.61 1h94 s HIS 84 CO 0.30 -0.23 0.36 0.34 -2.34 0.00 0.00 174.74 173.17 1h94 s ASP 85 N 1.32 6.40 0.31 9.88 2.15 -1.26 -4.02 116.67 131.45 1h94 s ASP 85 Ca -0.09 0.47 0.24 0.00 0.43 0.00 0.00 52.55 53.61 1h94 s ASP 85 Cb -0.03 -2.21 1.10 0.00 -0.30 0.00 0.00 42.92 41.48 1h94 s ASP 85 CO -0.14 -0.03 1.74 -0.37 -0.17 0.00 0.00 175.17 176.19 1h94 h VAL 86 N 4.98 0.00 0.00 1.11 -1.51 -1.99 -2.72 116.25 116.11 1h94 h VAL 86 Ca -0.37 -0.18 -0.15 0.00 -1.23 0.00 0.00 66.70 64.76 1h94 h VAL 86 Cb 1.16 0.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 1h94 h VAL 86 CO 0.72 0.00 -1.44 0.41 -1.23 0.00 0.00 177.57 176.02 1h94 n THR 87 N -2.33 1.09 -2.53 7.19 -1.04 -1.26 -4.62 114.28 110.78 1h94 n THR 87 Ca 0.01 -0.68 -0.43 0.00 -2.04 0.00 0.00 64.05 60.91 1h94 n THR 87 Cb 0.18 -0.66 -0.02 0.00 -1.82 0.00 0.00 70.33 68.01 1h94 n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h94 s ASP 88 N -5.67 6.53 0.37 8.00 2.15 -1.03 -4.91 116.67 122.11 1h94 s ASP 88 Ca -0.03 0.51 0.07 0.00 0.43 0.00 0.00 52.55 53.53 1h94 s ASP 88 Cb 0.09 -2.55 0.77 0.00 -0.30 0.00 0.00 42.92 40.93 1h94 s ASP 88 CO 0.81 -1.34 1.95 0.00 -0.17 0.00 0.00 175.17 176.42 1h94 h ALA 89 N 9.68 1.75 -0.05 3.66 0.00 -1.87 -2.11 119.26 130.32 1h94 h ALA 89 Ca -0.24 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1h94 h ALA 89 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1h94 h ALA 89 CO 1.13 0.12 -0.74 0.00 0.00 0.00 0.00 179.25 179.76 1h94 h ALA 90 N 1.61 0.64 -0.81 0.00 0.00 -1.94 -3.04 119.26 115.72 1h94 h ALA 90 Ca 0.33 -0.62 0.19 0.00 0.00 0.00 0.00 54.91 54.81 1h94 h ALA 90 Cb 0.35 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1h94 h ALA 90 CO -0.12 0.79 0.55 0.77 0.00 0.00 0.00 179.25 181.25 1h94 h SER 91 N 0.20 0.26 -0.40 0.00 0.02 -1.67 0.87 113.55 112.82 1h94 h SER 91 Ca -0.03 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1h94 h SER 91 Cb 1.30 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1h94 h SER 91 CO 0.12 0.11 0.20 1.88 -1.14 0.00 0.00 176.83 178.00 1h94 h TYR 92 N 0.26 0.62 0.00 3.45 0.05 -1.55 -1.24 116.97 118.55 1h94 h TYR 92 Ca 0.40 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.15 1h94 h TYR 92 Cb 1.18 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.72 1h94 h TYR 92 CO -0.00 0.47 -0.09 0.00 -1.05 0.00 0.00 178.16 177.49 1h94 h ALA 93 N 1.60 1.34 -0.00 3.88 0.00 -0.96 0.14 119.26 125.25 1h94 h ALA 93 Ca 0.16 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1h94 h ALA 93 Cb 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1h94 h ALA 93 CO -0.02 0.11 -0.73 0.28 0.00 0.00 0.00 179.25 178.89 1h94 h VAL 94 N 0.00 1.38 -0.30 0.00 2.07 -1.26 -3.09 116.25 115.06 1h94 h VAL 94 Ca -0.00 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1h94 h VAL 94 Cb 0.25 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1h94 h VAL 94 CO 0.01 0.63 0.13 0.25 0.02 0.00 0.00 177.57 178.62 1h94 h LEU 95 N 0.04 0.41 -1.83 2.57 5.85 -0.87 -2.13 115.31 119.35 1h94 h LEU 95 Ca -0.09 -0.14 0.23 0.00 0.84 0.00 0.00 57.88 58.71 1h94 h LEU 95 Cb 1.42 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1h94 h LEU 95 CO 0.14 0.44 0.59 0.50 -0.34 0.00 0.00 178.44 179.77 1h94 h LYS 96 N 0.35 0.14 -0.07 1.25 3.64 -0.81 0.28 116.57 121.34 1h94 h LYS 96 Ca 0.10 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 1h94 h LYS 96 Cb 0.15 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1h94 h LYS 96 CO -0.01 0.09 -0.88 1.49 -2.27 0.00 0.00 179.45 177.87 1h94 h GLU 97 N 0.14 0.63 -0.62 1.90 4.22 -1.31 0.01 114.58 119.56 1h94 h GLU 97 Ca 0.42 -0.59 -0.09 0.00 0.08 0.00 0.00 59.36 59.18 1h94 h GLU 97 Cb 1.43 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 1h94 h GLU 97 CO -0.06 1.20 0.03 0.00 -2.18 0.00 0.00 179.01 177.99 1h94 h ALA 98 N 0.62 0.87 0.07 2.92 0.00 -0.16 -1.72 119.26 121.86 1h94 h ALA 98 Ca -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1h94 h ALA 98 Cb 1.51 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1h94 h ALA 98 CO 0.17 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.87 1h94 h ILE 99 N 0.98 1.24 0.00 0.00 2.04 -1.15 -2.04 117.51 118.58 1h94 h ILE 99 Ca 0.18 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1h94 h ILE 99 Cb 0.53 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1h94 h ILE 99 CO 0.03 0.32 -0.01 -0.33 0.00 0.00 0.00 178.15 178.16 1h94 h GLU 100 N -0.74 0.00 0.00 2.37 4.39 -1.01 -1.14 114.58 118.44 1h94 h GLU 100 Ca -0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1h94 h GLU 100 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1h94 h GLU 100 CO 0.01 0.01 -0.28 1.49 -1.16 0.00 0.00 179.01 179.08 1h94 h GLU 101 N 0.00 0.00 -0.78 2.33 4.57 -1.29 -3.15 114.58 116.26 1h94 h GLU 101 Ca -0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1h94 h GLU 101 Cb 0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1h94 h GLU 101 CO 0.00 0.93 0.51 0.00 -1.18 0.00 0.00 179.01 179.28 1h94 h ALA 102 N -0.17 1.63 -0.10 2.92 0.00 -0.98 -0.23 119.26 122.32 1h94 h ALA 102 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1h94 h ALA 102 Cb 1.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1h94 h ALA 102 CO -0.05 0.25 0.07 0.00 0.00 0.00 0.00 179.25 179.52 1h94 h ALA 103 N 1.57 0.13 -0.33 0.00 0.00 -1.35 -2.45 119.26 116.83 1h94 h ALA 103 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1h94 h ALA 103 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1h94 h ALA 103 CO -0.11 -0.38 0.19 0.22 0.00 0.00 0.00 179.25 179.17 1h94 h ASP 104 N 0.13 0.41 -0.95 0.00 3.58 -1.25 0.77 116.42 119.11 1h94 h ASP 104 Ca 0.04 -0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.52 1h94 h ASP 104 Cb -0.01 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 40.87 1h94 h ASP 104 CO -0.01 0.36 0.61 0.50 -2.88 0.00 0.00 179.24 177.82 1h94 h LYS 105 N 0.43 0.95 -0.16 0.28 3.64 -0.87 -2.82 116.57 118.01 1h94 h LYS 105 Ca 0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1h94 h LYS 105 Cb 0.03 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1h94 h LYS 105 CO -0.02 0.63 -0.04 1.19 -2.27 0.00 0.00 179.45 178.94 1h94 n PHE 106 N -4.55 0.57 -4.12 1.91 3.72 -0.94 -5.00 117.46 109.05 1h94 n PHE 106 Ca 0.16 -1.05 -0.32 0.00 -0.05 0.00 0.00 57.45 56.20 1h94 n PHE 106 Cb 0.30 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 1h94 n PHE 106 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1h94 n ASP 107 N -0.96 -0.71 -4.51 4.37 8.00 0.10 -4.35 116.55 118.48 1h94 n ASP 107 Ca 0.21 -1.18 -0.43 0.00 0.71 0.00 0.00 54.79 54.10 1h94 n ASP 107 Cb 0.81 -2.20 -0.08 0.00 -0.02 0.00 0.00 41.12 39.63 1h94 n ASP 107 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h94 s ILE 108 N -4.05 4.95 -0.96 0.53 1.01 -0.25 -4.97 121.20 117.47 1h94 s ILE 108 Ca 0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 1h94 s ILE 108 Cb -0.06 -4.11 0.10 0.00 0.01 0.00 0.00 42.46 38.40 1h94 s ILE 108 CO 0.95 -0.48 1.25 -0.62 0.00 0.00 0.00 174.94 176.03 1h94 s ASP 109 N 1.90 6.57 0.51 3.58 -1.08 -1.26 -4.79 116.67 122.10 1h94 s ASP 109 Ca 0.18 -1.79 0.00 0.00 -0.52 0.00 0.00 52.55 50.42 1h94 s ASP 109 Cb -0.15 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1h94 s ASP 109 CO 0.16 -1.25 0.00 0.61 0.52 0.00 0.00 175.17 175.22 1h94 n GLY 110 N 6.02 1.69 3.20 2.66 0.00 -1.26 -4.47 105.19 113.03 1h94 n GLY 110 Ca 0.27 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 1h94 n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h94 n ASN 111 N 2.44 -7.21 -4.51 1.61 3.02 -1.21 -4.47 115.26 104.93 1h94 n ASN 111 Ca 0.00 -0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.00 1h94 n ASN 111 Cb 0.00 -4.56 -0.12 0.00 -0.61 0.00 0.00 39.78 34.48 1h94 n ASN 111 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1h94 s ARG 112 N -3.35 2.73 -0.11 3.52 0.52 -0.27 -1.14 118.95 120.85 1h94 s ARG 112 Ca 0.02 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1h94 s ARG 112 Cb -0.00 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.96 1h94 s ARG 112 CO 0.78 0.59 -0.20 0.42 0.02 0.00 0.00 175.30 176.91 1h94 s ILE 113 N -0.62 1.82 -0.34 1.52 1.01 -0.54 -1.45 121.20 122.60 1h94 s ILE 113 Ca 0.09 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1h94 s ILE 113 Cb -0.11 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.79 1h94 s ILE 113 CO 0.01 0.50 0.11 -0.36 0.00 0.00 0.00 174.94 175.21 1h94 s PHE 114 N 0.68 3.26 -0.23 3.97 0.08 0.06 -0.54 117.98 125.26 1h94 s PHE 114 Ca -0.12 -1.45 -0.16 0.00 0.12 0.00 0.00 56.93 55.32 1h94 s PHE 114 Cb -0.16 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1h94 s PHE 114 CO 0.03 -0.74 0.40 -0.47 -0.10 0.00 0.00 175.22 174.33 1h94 s TYR 115 N 1.40 3.31 -0.60 0.36 6.14 0.75 -1.68 117.35 127.04 1h94 s TYR 115 Ca -0.01 0.54 -0.14 0.00 0.64 0.00 0.00 57.07 58.10 1h94 s TYR 115 Cb -0.20 -2.56 0.15 0.00 0.42 0.00 0.00 41.96 39.77 1h94 s TYR 115 CO 0.03 -0.12 0.53 -1.64 0.64 0.00 0.00 175.55 174.99 1h94 s MET 116 N 1.69 3.01 -0.71 4.97 -1.94 -1.00 -0.23 119.30 125.09 1h94 s MET 116 Ca 0.18 -1.93 -0.00 0.00 -1.71 0.00 0.00 55.69 52.22 1h94 s MET 116 Cb -0.15 -4.23 0.39 0.00 2.01 0.00 0.00 34.83 32.85 1h94 s MET 116 CO 0.09 -1.29 1.81 0.45 -0.01 0.00 0.00 175.02 176.07 1h94 n SER 117 N 4.80 6.87 -4.75 3.03 2.88 0.43 -3.78 113.62 123.11 1h94 n SER 117 Ca -0.05 -3.80 -0.30 0.00 -1.33 0.00 0.00 58.87 53.38 1h94 n SER 117 Cb 0.42 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.91 1h94 n SER 117 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1h94 s VAL 118 N -5.11 1.51 0.45 2.46 -7.23 -1.25 -4.49 120.40 106.75 1h94 s VAL 118 Ca 0.53 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.55 1h94 s VAL 118 Cb 0.44 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 1h94 s VAL 118 CO -0.28 0.00 1.39 0.00 -0.31 0.00 0.00 175.10 175.89 1h94 n ALA 119 N -1.27 1.82 -0.34 1.32 0.00 -1.26 -4.88 120.51 115.90 1h94 n ALA 119 Ca -0.12 0.24 0.23 0.00 0.00 0.00 0.00 53.44 53.79 1h94 n ALA 119 Cb 0.66 -2.36 0.47 0.00 0.00 0.00 0.00 19.45 18.23 1h94 n ALA 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1h94 h PRO 120 N 2.18 0.34 0.00 0.00 0.11 -1.91 -1.28 132.00 131.44 1h94 h PRO 120 Ca -0.50 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1h94 h PRO 120 Cb 1.28 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1h94 h PRO 120 CO 0.60 0.23 -0.15 0.07 -0.21 0.00 0.00 178.00 178.55 1h94 h ARG 121 N 0.35 0.00 0.00 1.05 0.11 -1.98 -2.76 114.38 111.16 1h94 h ARG 121 Ca 0.72 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.80 1h94 h ARG 121 Cb 1.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.72 1h94 h ARG 121 CO -0.58 0.15 0.00 0.74 0.10 0.00 0.00 179.97 180.38 1h94 h PHE 122 N 0.00 0.00 -0.55 4.08 0.04 -1.58 -3.36 116.94 115.57 1h94 h PHE 122 Ca -0.00 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 1h94 h PHE 122 Cb 0.27 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.32 1h94 h PHE 122 CO 0.00 0.00 -0.04 0.74 -0.60 0.00 0.00 178.31 178.41 1h94 h PHE 123 N 0.00 -0.10 -0.64 -0.55 0.04 -1.60 -1.94 116.94 112.15 1h94 h PHE 123 Ca 0.00 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1h94 h PHE 123 Cb 0.65 0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.90 1h94 h PHE 123 CO 0.00 -0.16 0.31 0.78 -0.60 0.00 0.00 178.31 178.64 1h94 h GLY 124 N 0.08 1.00 0.81 -1.45 0.00 -1.80 -2.80 103.07 98.90 1h94 h GLY 124 Ca 0.28 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1h94 h GLY 124 CO -0.49 0.47 -0.15 -0.84 0.00 0.00 0.00 176.54 175.52 1h94 h THR 125 N 0.89 0.71 -0.63 4.70 2.02 -1.65 -2.20 112.91 116.74 1h94 h THR 125 Ca 0.22 -0.36 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1h94 h THR 125 Cb 0.12 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 1h94 h THR 125 CO -0.03 0.07 0.28 0.40 0.37 0.00 0.00 175.52 176.62 1h94 h ILE 126 N -0.63 0.83 0.03 3.11 2.04 -1.41 -0.31 117.51 121.17 1h94 h ILE 126 Ca -0.04 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1h94 h ILE 126 Cb 0.45 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1h94 h ILE 126 CO 0.07 0.09 -0.19 0.00 0.00 0.00 0.00 178.15 178.12 1h94 h ALA 127 N 1.40 -0.26 -0.40 1.87 0.00 -1.45 -0.16 119.26 120.25 1h94 h ALA 127 Ca 0.31 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1h94 h ALA 127 Cb 0.33 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1h94 h ALA 127 CO -0.27 -0.70 0.01 -0.22 0.00 0.00 0.00 179.25 178.08 1h94 h LYS 128 N -0.33 0.11 -0.17 0.00 3.64 -0.65 -2.63 116.57 116.55 1h94 h LYS 128 Ca 0.05 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1h94 h LYS 128 Cb 0.38 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1h94 h LYS 128 CO -0.16 0.08 -0.52 1.88 -2.27 0.00 0.00 179.45 178.46 1h94 h TYR 129 N 0.12 0.59 -0.82 1.91 0.05 -0.84 -2.51 116.97 115.47 1h94 h TYR 129 Ca 0.20 -0.20 0.14 0.00 0.05 0.00 0.00 58.73 58.92 1h94 h TYR 129 Cb 0.28 -0.12 -0.09 0.00 1.01 0.00 0.00 36.73 37.81 1h94 h TYR 129 CO -0.26 0.90 0.41 -0.07 -1.05 0.00 0.00 178.16 178.08 1h94 h LEU 130 N 0.38 0.47 0.01 3.88 3.38 -0.65 0.97 115.31 123.76 1h94 h LEU 130 Ca 0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h94 h LEU 130 Cb 1.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1h94 h LEU 130 CO 0.09 0.20 -0.01 0.50 0.09 0.00 0.00 178.44 179.32 1h94 h LYS 131 N 0.58 -0.01 -0.43 1.13 3.64 -1.50 0.45 116.57 120.43 1h94 h LYS 131 Ca 0.45 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 1h94 h LYS 131 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1h94 h LYS 131 CO -0.37 0.79 0.12 0.66 -2.27 0.00 0.00 179.45 178.38 1h94 h SER 132 N -0.91 0.63 -0.01 4.20 4.64 -1.26 -2.80 113.55 118.05 1h94 h SER 132 Ca -0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1h94 h SER 132 Cb 0.81 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1h94 h SER 132 CO 0.00 0.69 0.00 -0.62 -0.87 0.00 0.00 176.83 176.03 1h94 n GLU 133 N -4.55 1.10 -3.00 4.77 -0.58 0.32 -4.95 120.64 113.75 1h94 n GLU 133 Ca 0.00 -0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.47 1h94 n GLU 133 Cb 0.20 -1.44 0.04 0.00 -0.57 0.00 0.00 31.44 29.67 1h94 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h94 n GLY 134 N 0.97 0.18 0.07 0.62 0.00 -1.06 -4.85 105.19 101.13 1h94 n GLY 134 Ca 0.20 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1h94 n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h94 h LEU 135 N -1.30 0.00 -9.75 0.99 4.07 -1.16 -3.47 115.31 104.70 1h94 h LEU 135 Ca -0.29 -0.18 -0.53 0.00 0.08 0.00 0.00 57.88 56.97 1h94 h LEU 135 Cb 1.18 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.98 1h94 h LEU 135 CO 0.28 0.09 0.73 -0.76 -1.08 0.00 0.00 178.44 177.69 1h94 s LEU 136 N -4.45 4.40 0.23 1.67 1.43 -1.15 -4.97 118.68 115.83 1h94 s LEU 136 Ca 0.05 2.62 -0.30 0.00 -1.03 0.00 0.00 54.13 55.47 1h94 s LEU 136 Cb 0.13 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 1h94 s LEU 136 CO 0.74 -0.65 1.38 0.00 0.23 0.00 0.00 176.35 178.05 1h94 s ALA 137 N -0.10 3.58 0.15 4.21 0.00 -1.26 -4.93 121.76 123.42 1h94 s ALA 137 Ca 0.58 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.87 1h94 s ALA 137 Cb -0.41 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.29 1h94 s ALA 137 CO 0.43 -0.65 1.46 -0.44 0.00 0.00 0.00 175.76 176.56 1h94 h ASP 138 N 5.21 0.00 -1.98 0.00 5.19 -1.95 -3.46 116.42 119.44 1h94 h ASP 138 Ca -0.45 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.37 1h94 h ASP 138 Cb 1.22 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.61 1h94 h ASP 138 CO 0.78 0.76 -0.64 0.42 -3.12 0.00 0.00 179.24 177.43 1h94 s THR 139 N -3.14 2.64 0.00 0.35 -4.23 -1.26 -5.04 115.64 104.95 1h94 s THR 139 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1h94 s THR 139 Cb 0.11 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1h94 s THR 139 CO 0.78 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1h94 n GLY 140 N -0.90 1.13 3.77 3.99 0.00 -1.26 -3.54 105.19 108.38 1h94 n GLY 140 Ca -0.05 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1h94 n GLY 140 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h94 s TYR 141 N 0.00 2.52 -0.16 1.61 -0.85 -1.26 -4.77 117.35 114.43 1h94 s TYR 141 Ca 0.00 -0.61 -0.04 0.00 -0.52 0.00 0.00 57.07 55.90 1h94 s TYR 141 Cb 0.00 -1.97 0.07 0.00 0.38 0.00 0.00 41.96 40.44 1h94 s TYR 141 CO 0.00 0.10 0.16 -0.80 -1.52 0.00 0.00 175.55 173.48 1h94 s ASN 142 N -3.96 1.62 0.03 -0.18 0.01 -1.25 -1.11 114.94 110.09 1h94 s ASN 142 Ca 0.40 -0.26 0.06 0.00 -0.71 0.00 0.00 52.86 52.35 1h94 s ASN 142 Cb 0.02 0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.78 1h94 s ASN 142 CO 0.22 -0.32 -0.18 -0.13 -1.51 0.00 0.00 177.10 175.18 1h94 s ARG 143 N 2.25 1.25 -0.11 -0.60 0.52 -0.53 -4.90 118.95 116.83 1h94 s ARG 143 Ca 0.04 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1h94 s ARG 143 Cb -0.15 -1.31 -0.01 0.00 0.52 0.00 0.00 34.95 34.00 1h94 s ARG 143 CO -0.09 0.34 -0.18 -1.17 0.02 0.00 0.00 175.30 174.21 1h94 s LEU 144 N -1.03 2.42 -0.33 2.53 2.96 -0.72 -0.76 118.68 123.75 1h94 s LEU 144 Ca 0.06 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1h94 s LEU 144 Cb -0.08 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1h94 s LEU 144 CO 0.01 0.17 0.13 -0.04 -1.32 0.00 0.00 176.35 175.30 1h94 s MET 145 N 0.33 2.92 -0.29 1.98 -1.94 -0.68 -0.80 119.30 120.83 1h94 s MET 145 Ca -0.14 -0.99 -0.15 0.00 -1.71 0.00 0.00 55.69 52.70 1h94 s MET 145 Cb -0.17 -3.51 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 1h94 s MET 145 CO 0.07 -0.57 0.36 0.42 -0.01 0.00 0.00 175.02 175.29 1h94 s ILE 146 N 1.50 5.18 0.84 2.53 1.09 -0.24 -2.37 121.20 129.73 1h94 s ILE 146 Ca 0.01 0.42 -0.12 0.00 -1.10 0.00 0.00 60.65 59.86 1h94 s ILE 146 Cb -0.18 -3.71 0.09 0.00 -1.06 0.00 0.00 42.46 37.60 1h94 s ILE 146 CO 0.04 0.10 1.10 -0.70 -0.10 0.00 0.00 174.94 175.38 1h94 s GLU 147 N 2.04 1.73 0.37 2.79 2.56 -1.25 -0.93 118.70 126.01 1h94 s GLU 147 Ca 0.14 0.66 -0.26 0.00 0.00 0.00 0.00 54.97 55.51 1h94 s GLU 147 Cb -0.16 -1.88 -0.09 0.00 2.00 0.00 0.00 34.13 34.01 1h94 s GLU 147 CO 0.11 -1.87 1.12 0.15 -0.56 0.00 0.00 175.26 174.20 1h94 s LYS 148 N -5.10 4.24 0.42 4.30 3.01 -1.26 -4.50 119.74 120.85 1h94 s LYS 148 Ca 0.62 1.74 0.08 0.00 -1.01 0.00 0.00 55.97 57.40 1h94 s LYS 148 Cb -0.16 -2.77 -0.00 0.00 -1.01 0.00 0.00 37.83 33.89 1h94 s LYS 148 CO 0.55 -0.13 0.48 -1.25 0.51 0.00 0.00 175.35 175.51 1h94 s PRO 149 N -2.13 2.66 -0.72 -1.68 0.04 -1.26 -4.94 135.00 126.97 1h94 s PRO 149 Ca 0.54 -1.41 -0.07 0.00 0.04 0.00 0.00 61.00 60.10 1h94 s PRO 149 Cb -0.29 -2.56 0.19 0.00 0.04 0.00 0.00 34.50 31.88 1h94 s PRO 149 CO 0.36 -0.26 0.59 0.12 0.04 0.00 0.00 177.00 177.86 1h94 s PHE 150 N -2.43 3.57 0.00 0.56 2.19 -1.26 -4.93 117.98 115.68 1h94 s PHE 150 Ca 0.52 -2.49 0.00 0.00 0.33 0.00 0.00 56.93 55.28 1h94 s PHE 150 Cb -0.06 -3.42 0.00 0.00 -1.31 0.00 0.00 43.02 38.22 1h94 s PHE 150 CO 0.30 -0.89 0.00 0.41 1.83 0.00 0.00 175.22 176.88 1h94 n GLY 151 N 3.55 -1.31 0.00 13.12 0.00 -1.26 -4.70 105.19 114.59 1h94 n GLY 151 Ca 0.11 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1h94 n GLY 151 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h94 n THR 152 N -1.63 0.32 -3.91 2.61 -2.24 -1.26 -4.90 114.28 103.28 1h94 n THR 152 Ca 0.00 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 1h94 n THR 152 Cb 0.00 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1h94 n THR 152 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h94 s SER 153 N -0.32 -0.01 0.10 3.42 1.04 -1.26 -5.00 113.70 111.67 1h94 s SER 153 Ca 0.00 -0.30 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 1h94 s SER 153 Cb 0.00 0.23 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 1h94 s SER 153 CO 0.00 -0.46 1.49 0.22 0.98 0.00 0.00 173.24 175.47 1h94 h TYR 154 N 2.00 0.73 -0.05 5.02 3.20 -1.93 -2.33 116.97 123.61 1h94 h TYR 154 Ca -0.24 -0.17 0.03 0.00 3.14 0.00 0.00 58.73 61.49 1h94 h TYR 154 Cb 1.19 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 1h94 h TYR 154 CO 1.24 0.83 -0.18 -0.44 -1.64 0.00 0.00 178.16 177.98 1h94 h ASP 155 N 0.41 -0.54 -0.20 -2.11 3.32 -1.98 -0.54 116.42 114.78 1h94 h ASP 155 Ca 0.08 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1h94 h ASP 155 Cb 0.62 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1h94 h ASP 155 CO 0.04 -0.24 -0.23 0.71 -1.72 0.00 0.00 179.24 177.80 1h94 h THR 156 N -0.27 1.27 -0.29 0.35 1.35 -1.94 -2.24 112.91 111.14 1h94 h THR 156 Ca 0.07 -1.31 -0.10 0.00 -0.55 0.00 0.00 66.41 64.52 1h94 h THR 156 Cb 0.37 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1h94 h THR 156 CO -0.20 0.43 -0.26 0.00 -0.25 0.00 0.00 175.52 175.23 1h94 h ALA 157 N 1.17 1.01 -0.61 6.62 0.00 -1.23 -1.45 119.26 124.77 1h94 h ALA 157 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1h94 h ALA 157 Cb 0.71 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1h94 h ALA 157 CO 0.05 0.59 0.21 0.00 0.00 0.00 0.00 179.25 180.10 1h94 h ALA 158 N 1.23 0.80 0.20 0.00 0.00 -0.86 -0.44 119.26 120.19 1h94 h ALA 158 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1h94 h ALA 158 Cb 0.71 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1h94 h ALA 158 CO 0.05 0.45 -0.12 0.93 0.00 0.00 0.00 179.25 180.56 1h94 h GLU 159 N 0.86 -0.30 -0.23 0.00 5.08 -0.93 -0.61 114.58 118.45 1h94 h GLU 159 Ca 0.20 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1h94 h GLU 159 Cb 0.26 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1h94 h GLU 159 CO -0.01 -0.20 -0.10 1.25 -1.00 0.00 0.00 179.01 178.95 1h94 h LEU 160 N -0.31 -0.34 -0.66 1.33 6.46 -1.08 -1.42 115.31 119.28 1h94 h LEU 160 Ca -0.02 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1h94 h LEU 160 Cb 0.26 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 1h94 h LEU 160 CO 0.02 -0.13 0.37 -0.61 -0.62 0.00 0.00 178.44 177.47 1h94 h GLN 161 N -0.07 0.66 -0.46 1.25 5.75 -0.85 -0.60 115.11 120.80 1h94 h GLN 161 Ca 0.12 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1h94 h GLN 161 Cb 0.25 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1h94 h GLN 161 CO -0.27 0.44 0.05 -0.97 -2.65 0.00 0.00 178.83 175.42 1h94 h ASN 162 N 0.68 0.69 -0.11 -0.69 -0.73 -0.39 0.49 115.58 115.52 1h94 h ASN 162 Ca 0.30 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1h94 h ASN 162 Cb 0.19 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 1h94 h ASN 162 CO -0.18 0.73 -0.04 0.44 -0.37 0.00 0.00 177.43 178.01 1h94 h ASP 163 N 0.70 0.22 -0.63 1.15 3.32 -0.46 -3.12 116.42 117.60 1h94 h ASP 163 Ca 0.15 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1h94 h ASP 163 Cb 0.36 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1h94 h ASP 163 CO 0.01 0.57 0.30 -0.07 -1.72 0.00 0.00 179.24 178.32 1h94 h LEU 164 N -0.12 0.86 -2.28 1.55 3.38 -0.92 -2.32 115.31 115.46 1h94 h LEU 164 Ca 0.03 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1h94 h LEU 164 Cb 0.48 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1h94 h LEU 164 CO 0.01 0.74 0.09 -0.08 0.09 0.00 0.00 178.44 179.30 1h94 h GLU 165 N 0.94 0.00 -0.46 1.13 4.57 -0.84 -0.27 114.58 119.65 1h94 h GLU 165 Ca 0.23 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1h94 h GLU 165 Cb 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1h94 h GLU 165 CO -0.03 0.00 0.30 -0.91 -1.18 0.00 0.00 179.01 177.20 1h94 h ASN 166 N 0.00 0.46 0.00 1.04 2.35 -1.39 -3.31 115.58 114.73 1h94 h ASN 166 Ca 0.04 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 1h94 h ASN 166 Cb 0.23 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1h94 h ASN 166 CO -0.00 0.32 -1.48 0.00 -1.65 0.00 0.00 177.43 174.62 1h94 n ALA 167 N -2.48 1.83 -2.54 -0.83 0.00 -0.79 -5.07 120.51 110.63 1h94 n ALA 167 Ca 0.05 -0.46 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 1h94 n ALA 167 Cb 0.13 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.57 1h94 n ALA 167 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1h94 s PHE 168 N -2.17 1.71 0.41 0.00 0.08 -0.18 -5.04 117.98 112.79 1h94 s PHE 168 Ca -0.04 -0.44 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 1h94 s PHE 168 Cb 0.02 -0.92 -0.06 0.00 -0.57 0.00 0.00 43.02 41.49 1h94 s PHE 168 CO 0.28 0.21 0.77 -0.51 -0.10 0.00 0.00 175.22 175.87 1h94 s ASP 169 N -2.08 6.51 0.40 1.36 1.01 -1.26 -3.95 116.67 118.66 1h94 s ASP 169 Ca 0.08 1.12 0.17 0.00 0.71 0.00 0.00 52.55 54.62 1h94 s ASP 169 Cb -0.09 -2.32 1.05 0.00 1.01 0.00 0.00 42.92 42.58 1h94 s ASP 169 CO 0.04 -0.40 1.84 -0.78 0.21 0.00 0.00 175.17 176.08 1h94 h ASP 170 N 1.22 0.45 0.89 0.27 3.58 -1.95 0.29 116.42 121.16 1h94 h ASP 170 Ca -0.47 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1h94 h ASP 170 Cb 1.19 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1h94 h ASP 170 CO 0.64 0.17 0.00 -0.55 -2.88 0.00 0.00 179.24 176.61 1h94 h ASN 171 N 0.44 0.00 0.26 2.28 -1.07 -2.02 -2.04 115.58 113.42 1h94 h ASN 171 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.87 1h94 h ASN 171 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1h94 h ASN 171 CO -0.21 0.00 -0.16 0.00 0.07 0.00 0.00 177.43 177.13 1h94 n GLN 172 N -2.71 0.87 -3.67 4.14 6.02 0.09 -4.85 117.38 117.27 1h94 n GLN 172 Ca 0.01 -0.43 -0.37 0.00 -0.01 0.00 0.00 57.00 56.20 1h94 n GLN 172 Cb 0.27 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 1h94 n GLN 172 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h94 s LEU 173 N -2.42 4.40 -0.39 1.08 1.43 -0.77 -1.76 118.68 120.25 1h94 s LEU 173 Ca 0.28 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1h94 s LEU 173 Cb 0.20 -2.33 0.13 0.00 0.03 0.00 0.00 46.19 44.21 1h94 s LEU 173 CO 0.48 0.33 0.20 -0.36 0.23 0.00 0.00 176.35 177.23 1h94 s PHE 174 N -0.82 1.66 -0.07 0.29 0.08 0.02 -4.98 117.98 114.16 1h94 s PHE 174 Ca 0.19 -2.11 -0.30 0.00 0.12 0.00 0.00 56.93 54.83 1h94 s PHE 174 Cb -0.14 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1h94 s PHE 174 CO 0.08 -0.81 1.20 1.03 -0.10 0.00 0.00 175.22 176.61 1h94 s ARG 175 N 0.77 4.34 -0.41 0.44 0.52 -1.26 -1.08 118.95 122.27 1h94 s ARG 175 Ca 0.16 1.65 -0.29 0.00 -0.52 0.00 0.00 55.73 56.73 1h94 s ARG 175 Cb -0.23 -3.58 0.02 0.00 0.52 0.00 0.00 34.95 31.67 1h94 s ARG 175 CO -0.05 -0.48 1.30 0.42 0.02 0.00 0.00 175.30 176.51 1h94 s ILE 176 N 2.38 4.06 -0.31 1.52 1.09 -0.11 -4.51 121.20 125.32 1h94 s ILE 176 Ca 0.55 1.11 0.01 0.00 -1.10 0.00 0.00 60.65 61.21 1h94 s ILE 176 Cb -0.24 -4.33 0.07 0.00 -1.06 0.00 0.00 42.46 36.90 1h94 s ILE 176 CO 0.21 -0.78 -0.00 -0.62 -0.10 0.00 0.00 174.94 173.64 1h94 s ASP 177 N 3.20 4.78 0.15 3.58 -1.08 -1.26 -4.36 116.67 121.68 1h94 s ASP 177 Ca 0.56 -1.55 -0.31 0.00 -0.52 0.00 0.00 52.55 50.73 1h94 s ASP 177 Cb -0.12 -1.66 -0.07 0.00 -1.46 0.00 0.00 42.92 39.61 1h94 s ASP 177 CO 0.30 -0.29 1.54 -0.74 0.52 0.00 0.00 175.17 176.50 1h94 h HIS 178 N 7.87 -1.80 -0.13 -5.34 -0.00 -1.98 -2.36 115.15 111.42 1h94 h HIS 178 Ca -0.17 0.11 0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1h94 h HIS 178 Cb 1.05 0.89 -0.01 0.00 -0.00 0.00 0.00 27.41 29.34 1h94 h HIS 178 CO 0.59 -0.41 0.09 1.88 -0.00 0.00 0.00 177.93 180.08 1h94 h TYR 179 N -0.13 0.06 0.00 5.26 -1.99 -1.95 -1.74 116.97 116.49 1h94 h TYR 179 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1h94 h TYR 179 Cb 0.48 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1h94 h TYR 179 CO -0.92 0.04 0.00 1.28 -0.00 0.00 0.00 178.16 178.55 1h94 n LEU 180 N -4.51 0.00 -0.75 3.88 4.32 -0.89 -1.99 117.00 117.07 1h94 n LEU 180 Ca -0.00 0.42 0.12 0.00 -0.02 0.00 0.00 56.01 56.52 1h94 n LEU 180 Cb 0.16 -0.42 0.06 0.00 -1.62 0.00 0.00 43.42 41.60 1h94 n LEU 180 CO 0.34 -0.18 0.48 0.61 -1.22 0.00 0.00 177.39 177.43 1h94 n GLY 181 N 0.23 0.55 3.71 -0.72 0.00 -0.65 -4.84 105.19 103.47 1h94 n GLY 181 Ca 0.06 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1h94 n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h94 s LYS 182 N -2.22 4.40 0.21 1.61 1.02 -0.84 -4.44 119.74 119.47 1h94 s LYS 182 Ca 0.24 1.86 -0.19 0.00 0.02 0.00 0.00 55.97 57.90 1h94 s LYS 182 Cb 0.19 -3.31 0.18 0.00 -0.52 0.00 0.00 37.83 34.37 1h94 s LYS 182 CO 0.42 -0.30 1.57 1.49 -0.92 0.00 0.00 175.35 177.62 1h94 h GLU 183 N 6.72 -0.09 -0.50 1.68 4.57 -1.90 -1.42 114.58 123.65 1h94 h GLU 183 Ca -0.42 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1h94 h GLU 183 Cb 1.21 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 1h94 h GLU 183 CO 0.82 -0.06 0.33 0.52 -1.18 0.00 0.00 179.01 179.44 1h94 h MET 184 N -0.09 0.58 -0.16 1.92 2.86 -1.92 -1.40 114.93 116.72 1h94 h MET 184 Ca 0.28 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1h94 h MET 184 Cb 0.57 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1h94 h MET 184 CO -0.80 0.38 -0.22 0.28 1.06 0.00 0.00 176.91 177.62 1h94 h VAL 185 N 0.60 1.23 0.00 -2.22 2.07 -1.58 -1.54 116.25 114.80 1h94 h VAL 185 Ca 0.19 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1h94 h VAL 185 Cb 0.04 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1h94 h VAL 185 CO -0.05 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1h94 n GLN 186 N -4.19 0.78 0.03 1.57 6.02 -0.54 -2.89 117.38 118.17 1h94 n GLN 186 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.00 1h94 n GLN 186 Cb 0.34 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 1h94 n GLN 186 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1h94 n ASN 187 N -1.09 0.75 -0.29 1.08 3.02 -0.58 -4.22 115.26 113.93 1h94 n ASN 187 Ca 0.20 0.32 0.16 0.00 -0.03 0.00 0.00 54.58 55.24 1h94 n ASN 187 Cb 0.15 0.37 0.43 0.00 -0.61 0.00 0.00 39.78 40.12 1h94 n ASN 187 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1h94 h ILE 188 N 0.00 0.70 0.02 2.41 2.04 -1.53 -0.48 117.51 120.67 1h94 h ILE 188 Ca -0.15 -0.20 -0.22 0.00 1.00 0.00 0.00 64.86 65.29 1h94 h ILE 188 Cb 1.50 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1h94 h ILE 188 CO 0.03 0.10 -0.97 0.00 0.00 0.00 0.00 178.15 177.32 1h94 h ALA 189 N 1.62 0.37 0.00 1.87 0.00 -1.79 -2.73 119.26 118.61 1h94 h ALA 189 Ca 0.51 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1h94 h ALA 189 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1h94 h ALA 189 CO -0.25 0.88 -0.00 0.00 0.00 0.00 0.00 179.25 179.88 1h94 h ALA 190 N 0.80 -0.01 -0.36 0.00 0.00 -1.34 -1.79 119.26 116.56 1h94 h ALA 190 Ca -0.07 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1h94 h ALA 190 Cb 1.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1h94 h ALA 190 CO 0.16 -0.37 0.23 -0.07 0.00 0.00 0.00 179.25 179.20 1h94 h LEU 191 N -0.27 0.40 0.45 0.00 4.07 -1.28 0.30 115.31 118.97 1h94 h LEU 191 Ca -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1h94 h LEU 191 Cb 0.27 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1h94 h LEU 191 CO 0.00 0.29 -0.21 -0.09 -1.08 0.00 0.00 178.44 177.34 1h94 h ARG 192 N 0.48 -0.58 -0.00 1.13 2.43 -1.51 -3.14 114.38 113.19 1h94 h ARG 192 Ca 0.14 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1h94 h ARG 192 Cb -0.04 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1h94 h ARG 192 CO -0.04 -0.29 -0.29 1.19 -1.51 0.00 0.00 179.97 179.03 1h94 n PHE 193 N -5.20 0.00 0.71 2.20 3.72 -0.67 -2.22 117.46 116.00 1h94 n PHE 193 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.42 1h94 n PHE 193 Cb 0.29 -0.31 0.12 0.00 -0.94 0.00 0.00 39.48 38.64 1h94 n PHE 193 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h94 n GLY 194 N 1.47 -1.27 2.71 1.37 0.00 0.10 -4.73 105.19 104.85 1h94 n GLY 194 Ca 0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1h94 n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h94 s ASN 195 N -3.71 3.92 0.48 1.61 0.01 -1.19 -5.01 114.94 111.06 1h94 s ASN 195 Ca 0.07 -1.79 0.37 0.00 -0.71 0.00 0.00 52.86 50.79 1h94 s ASN 195 Cb 0.15 -0.86 1.54 0.00 0.41 0.00 0.00 41.25 42.49 1h94 s ASN 195 CO 0.75 -0.39 1.61 -0.65 -1.51 0.00 0.00 177.10 176.91 1h94 h PRO 196 N 7.86 0.04 -0.52 -0.60 0.11 -1.85 0.13 132.00 137.17 1h94 h PRO 196 Ca -0.11 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1h94 h PRO 196 Cb 1.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1h94 h PRO 196 CO 0.46 0.02 0.24 -0.84 -0.21 0.00 0.00 178.00 177.68 1h94 h ILE 197 N 0.04 1.18 0.13 4.15 3.07 -1.95 0.31 117.51 124.42 1h94 h ILE 197 Ca 0.86 -0.50 -0.26 0.00 1.55 0.00 0.00 64.86 66.51 1h94 h ILE 197 Cb 2.96 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 40.03 1h94 h ILE 197 CO -0.30 0.21 -1.31 -0.26 -1.05 0.00 0.00 178.15 175.44 1h94 h PHE 198 N 0.72 0.48 -0.54 0.16 0.04 -1.03 -3.08 116.94 113.70 1h94 h PHE 198 Ca 0.18 -0.35 0.11 0.00 2.80 0.00 0.00 57.97 60.71 1h94 h PHE 198 Cb 0.09 -0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.11 1h94 h PHE 198 CO 0.01 1.51 -0.19 0.22 -0.60 0.00 0.00 178.31 179.25 1h94 h ASP 199 N -0.30 -0.68 1.41 2.17 1.82 -0.89 0.19 116.42 120.14 1h94 h ASP 199 Ca -0.27 0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 1h94 h ASP 199 Cb 1.76 0.40 -0.00 0.00 0.68 0.00 0.00 39.33 42.16 1h94 h ASP 199 CO 0.09 -0.23 -0.08 0.00 -1.61 0.00 0.00 179.24 177.41 1h94 h ALA 200 N 1.37 0.98 -0.00 -0.78 0.00 -1.08 -3.06 119.26 116.69 1h94 h ALA 200 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1h94 h ALA 200 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1h94 h ALA 200 CO -0.59 0.10 -0.45 0.00 0.00 0.00 0.00 179.25 178.31 1h94 n ALA 201 N -2.13 3.47 -1.57 0.00 0.00 0.34 -4.70 120.51 115.92 1h94 n ALA 201 Ca 0.02 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1h94 n ALA 201 Cb 0.45 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1h94 n ALA 201 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1h94 n TRP 202 N -1.25 2.75 -3.87 0.00 -0.00 0.39 -4.26 117.44 111.20 1h94 n TRP 202 Ca 0.07 -2.23 -0.02 0.00 -0.00 0.00 0.00 57.50 55.33 1h94 n TRP 202 Cb 0.34 -2.16 0.02 0.00 -0.00 0.00 0.00 31.31 29.50 1h94 n TRP 202 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1h94 n ASN 203 N 7.94 -1.41 0.27 5.87 0.23 -1.26 -5.03 115.26 121.87 1h94 n ASN 203 Ca 0.50 -1.67 0.15 0.00 -0.53 0.00 0.00 54.58 53.03 1h94 n ASN 203 Cb 0.41 2.27 0.88 0.00 -2.08 0.00 0.00 39.78 41.26 1h94 n ASN 203 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1h94 h LYS 204 N 0.00 0.00 -0.06 -3.83 2.10 -0.84 -2.07 116.57 111.88 1h94 h LYS 204 Ca -0.22 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.28 1h94 h LYS 204 Cb 1.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 1h94 h LYS 204 CO 0.31 0.00 -0.61 -0.44 -2.00 0.00 0.00 179.45 176.70 1h94 h ASP 205 N 0.00 0.23 0.00 7.07 3.32 -1.89 -3.38 116.42 121.77 1h94 h ASP 205 Ca 0.03 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1h94 h ASP 205 Cb 0.14 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1h94 h ASP 205 CO -0.00 0.78 -1.52 -1.22 -1.72 0.00 0.00 179.24 175.56 1h94 n TYR 206 N -3.86 0.00 -3.98 4.55 4.02 -1.09 -4.87 117.16 111.93 1h94 n TYR 206 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.50 1h94 n TYR 206 Cb 0.62 -0.32 -0.07 0.00 -0.02 0.00 0.00 39.34 39.56 1h94 n TYR 206 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1h94 s ILE 207 N -2.51 5.27 -0.16 -0.72 1.01 -0.80 -0.35 121.20 122.94 1h94 s ILE 207 Ca -0.04 0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.80 1h94 s ILE 207 Cb 0.05 -3.29 -0.23 0.00 0.01 0.00 0.00 42.46 39.01 1h94 s ILE 207 CO 0.40 0.61 0.21 1.17 0.00 0.00 0.00 174.94 177.33 1h94 n LYS 208 N 1.98 0.68 -3.63 2.79 4.81 0.11 -4.66 118.16 120.24 1h94 n LYS 208 Ca -0.19 0.15 -0.06 0.00 -0.87 0.00 0.00 58.31 57.34 1h94 n LYS 208 Cb 0.55 -1.62 -0.06 0.00 0.02 0.00 0.00 35.03 33.91 1h94 n LYS 208 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h94 s ASN 209 N -6.16 -0.23 -0.09 3.14 2.20 -1.17 -4.14 114.94 108.48 1h94 s ASN 209 Ca -0.17 0.39 -0.02 0.00 -0.94 0.00 0.00 52.86 52.13 1h94 s ASN 209 Cb 0.07 0.37 -0.03 0.00 -2.00 0.00 0.00 41.25 39.66 1h94 s ASN 209 CO 0.77 -0.12 -0.02 -0.69 -2.94 0.00 0.00 177.10 174.09 1h94 s VAL 210 N -0.30 4.11 -0.04 3.54 1.01 -0.59 -2.04 120.40 126.09 1h94 s VAL 210 Ca 0.05 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1h94 s VAL 210 Cb -0.03 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1h94 s VAL 210 CO -0.08 0.58 -0.22 -1.10 0.00 0.00 0.00 175.10 174.28 1h94 s GLN 211 N -0.63 2.12 -0.05 2.72 -0.21 -0.24 -0.20 119.66 123.16 1h94 s GLN 211 Ca 0.10 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.73 1h94 s GLN 211 Cb -0.12 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.03 1h94 s GLN 211 CO 0.02 0.37 -0.16 0.08 -2.12 0.00 0.00 175.29 173.48 1h94 s VAL 212 N -0.20 1.36 -0.06 1.09 1.01 0.99 -1.01 120.40 123.58 1h94 s VAL 212 Ca -0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1h94 s VAL 212 Cb -0.12 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1h94 s VAL 212 CO 0.02 0.40 -0.07 -0.89 0.00 0.00 0.00 175.10 174.56 1h94 s THR 213 N 0.27 0.79 -0.32 3.92 2.01 -0.57 -1.72 115.64 120.02 1h94 s THR 213 Ca -0.09 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1h94 s THR 213 Cb -0.13 -0.79 0.09 0.00 0.01 0.00 0.00 72.50 71.68 1h94 s THR 213 CO 0.03 0.29 0.01 -0.76 -0.69 0.00 0.00 174.62 173.50 1h94 s LEU 214 N 1.04 4.29 0.01 4.42 1.02 -0.18 -1.98 118.68 127.31 1h94 s LEU 214 Ca -0.08 -1.93 0.01 0.00 0.02 0.00 0.00 54.13 52.15 1h94 s LEU 214 Cb -0.14 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1h94 s LEU 214 CO -0.00 -0.33 0.04 0.00 0.02 0.00 0.00 176.35 176.08 1h94 s GLU 216 N -1.79 0.10 0.10 0.00 0.41 -1.16 -2.82 118.70 113.55 1h94 s GLU 216 Ca 0.23 0.45 0.15 0.00 -0.41 0.00 0.00 54.97 55.39 1h94 s GLU 216 Cb -0.12 -0.19 -0.11 0.00 -1.78 0.00 0.00 34.13 31.94 1h94 s GLU 216 CO 0.14 -0.20 0.98 -0.24 -0.49 0.00 0.00 175.26 175.45 1h94 h VAL 217 N 6.12 0.70 -4.19 2.63 3.04 -1.73 -0.29 116.25 122.54 1h94 h VAL 217 Ca -0.35 -2.22 -0.51 0.00 -1.01 0.00 0.00 66.70 62.61 1h94 h VAL 217 Cb 1.14 2.22 0.11 0.00 -2.01 0.00 0.00 31.29 32.74 1h94 h VAL 217 CO 0.34 0.40 0.38 -0.76 -1.01 0.00 0.00 177.57 176.93 1h94 s LEU 218 N -6.03 3.41 0.00 3.16 1.43 -1.26 -3.63 118.68 115.76 1h94 s LEU 218 Ca -0.01 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1h94 s LEU 218 Cb 0.08 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1h94 s LEU 218 CO 0.80 -1.66 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1h94 n GLY 219 N -0.37 0.36 0.17 -3.19 0.00 -1.26 -2.08 105.19 98.83 1h94 n GLY 219 Ca 0.11 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1h94 n GLY 219 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h94 h VAL 220 N -0.15 1.38 0.00 1.61 2.07 -1.98 -3.47 116.25 115.71 1h94 h VAL 220 Ca 0.00 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.33 1h94 h VAL 220 Cb 0.00 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1h94 h VAL 220 CO 0.00 0.66 0.00 1.21 0.02 0.00 0.00 177.57 179.46 1h94 n GLU 221 N -3.82 0.00 -0.10 1.57 4.07 -1.26 -2.24 120.64 118.86 1h94 n GLU 221 Ca -0.05 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.07 1h94 n GLU 221 Cb 0.72 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 32.17 1h94 n GLU 221 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1h94 n GLU 222 N 14.00 1.44 -0.06 5.31 -0.00 -1.26 -3.42 120.64 136.65 1h94 n GLU 222 Ca 0.00 -0.53 0.12 0.00 -0.00 0.00 0.00 57.16 56.75 1h94 n GLU 222 Cb 0.00 -1.26 0.32 0.00 -0.00 0.00 0.00 31.44 30.50 1h94 n GLU 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1h94 n ARG 223 N -0.03 2.02 -0.33 3.44 0.63 -0.95 -4.52 116.66 116.92 1h94 n ARG 223 Ca 0.05 -1.50 0.14 0.00 -0.92 0.00 0.00 57.85 55.61 1h94 n ARG 223 Cb 0.21 -1.46 0.32 0.00 0.45 0.00 0.00 32.46 31.98 1h94 n ARG 223 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1h94 h ALA 224 N 4.39 1.58 -0.06 5.13 0.00 -1.71 -2.38 119.26 126.20 1h94 h ALA 224 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h94 h ALA 224 Cb 0.71 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1h94 h ALA 224 CO 0.00 -0.21 -0.13 0.78 0.00 0.00 0.00 179.25 179.69 1h94 h GLY 225 N 0.57 -1.58 0.79 0.00 0.00 -1.82 -1.80 103.07 99.23 1h94 h GLY 225 Ca 0.58 0.74 -0.06 0.00 0.00 0.00 0.00 47.33 48.58 1h94 h GLY 225 CO -0.45 -0.55 -0.14 -1.82 0.00 0.00 0.00 176.54 173.58 1h94 h TYR 226 N -0.12 0.49 -0.92 5.60 5.03 -1.92 -3.31 116.97 121.82 1h94 h TYR 226 Ca 0.01 -0.14 0.18 0.00 2.58 0.00 0.00 58.73 61.37 1h94 h TYR 226 Cb 0.15 -0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.25 1h94 h TYR 226 CO -0.54 0.76 0.59 -0.92 -1.32 0.00 0.00 178.16 176.73 1h94 h TYR 227 N 0.07 0.73 0.00 -3.82 3.20 -1.37 -1.77 116.97 114.02 1h94 h TYR 227 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1h94 h TYR 227 Cb 0.66 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1h94 h TYR 227 CO 0.08 0.21 -0.00 0.22 -1.64 0.00 0.00 178.16 177.02 1h94 h ASP 228 N 0.57 0.00 0.17 -2.11 3.58 -1.41 0.23 116.42 117.45 1h94 h ASP 228 Ca 0.49 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.75 1h94 h ASP 228 Cb 0.98 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 1h94 h ASP 228 CO -0.23 0.00 -2.01 1.07 -2.88 0.00 0.00 179.24 175.19 1h94 n THR 229 N -3.47 0.85 -0.10 2.25 5.66 -0.68 -4.62 114.28 114.17 1h94 n THR 229 Ca -0.03 -0.69 -0.16 0.00 -3.05 0.00 0.00 64.05 60.12 1h94 n THR 229 Cb 0.08 -0.36 -0.07 0.00 -1.55 0.00 0.00 70.33 68.43 1h94 n THR 229 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h94 n ALA 230 N -2.49 0.75 -0.54 1.79 0.00 -0.82 -5.05 120.51 114.15 1h94 n ALA 230 Ca -0.17 -0.59 0.07 0.00 0.00 0.00 0.00 53.44 52.75 1h94 n ALA 230 Cb 0.87 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 1h94 n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h94 n GLY 231 N 1.47 -1.66 0.32 0.00 0.00 0.76 -3.36 105.19 102.72 1h94 n GLY 231 Ca -0.26 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 1h94 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h94 h ALA 232 N -0.50 1.04 -1.05 4.61 0.00 -1.65 0.14 119.26 121.85 1h94 h ALA 232 Ca 0.00 -0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.09 1h94 h ALA 232 Cb 0.49 -0.33 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 1h94 h ALA 232 CO 0.01 0.50 0.65 1.25 0.00 0.00 0.00 179.25 181.66 1h94 h LEU 233 N 1.11 0.52 0.00 0.00 5.85 -1.81 0.82 115.31 121.80 1h94 h LEU 233 Ca 0.29 0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.96 1h94 h LEU 233 Cb -0.04 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1h94 h LEU 233 CO -0.05 0.06 -1.81 0.18 -0.34 0.00 0.00 178.44 176.48 1h94 n LEU 234 N -4.75 0.00 -0.03 2.25 7.99 -1.09 -2.10 117.00 119.27 1h94 n LEU 234 Ca 0.27 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 56.14 1h94 n LEU 234 Cb 0.88 0.21 -0.09 0.00 -0.11 0.00 0.00 43.42 44.31 1h94 n LEU 234 CO 0.21 0.21 0.58 -0.78 -1.51 0.00 0.00 177.39 176.10 1h94 h ASP 235 N 0.00 0.19 0.00 -1.43 3.58 -0.24 -3.41 116.42 115.12 1h94 h ASP 235 Ca -0.23 -0.54 -0.15 0.00 0.42 0.00 0.00 57.03 56.53 1h94 h ASP 235 Cb 1.41 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.38 1h94 h ASP 235 CO 0.01 0.69 -1.57 0.23 -2.88 0.00 0.00 179.24 175.73 1h94 n MET 236 N -4.67 0.79 0.08 0.28 2.81 0.22 -4.73 117.12 111.91 1h94 n MET 236 Ca -0.08 0.04 -0.03 0.00 -1.81 0.00 0.00 57.70 55.82 1h94 n MET 236 Cb 0.34 -1.20 -0.02 0.00 -0.71 0.00 0.00 33.22 31.63 1h94 n MET 236 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1h94 h ILE 237 N 0.00 0.00 -0.92 2.02 1.08 -1.48 -2.02 117.51 116.19 1h94 h ILE 237 Ca -0.22 -0.16 0.24 0.00 -0.39 0.00 0.00 64.86 64.33 1h94 h ILE 237 Cb 1.38 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.00 1h94 h ILE 237 CO -0.02 0.00 0.42 -0.61 -0.69 0.00 0.00 178.15 177.24 1h94 h GLN 238 N -0.38 0.37 0.00 2.37 -0.00 -1.64 -2.58 115.11 113.25 1h94 h GLN 238 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1h94 h GLN 238 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.57 1h94 h GLN 238 CO 0.04 0.24 0.00 0.27 0.00 0.00 0.00 178.83 179.38 1h94 n ASN 239 N -5.06 0.00 0.21 -0.69 0.23 -1.26 -4.41 115.26 104.29 1h94 n ASN 239 Ca 0.24 0.03 -0.17 0.00 -0.53 0.00 0.00 54.58 54.14 1h94 n ASN 239 Cb 0.72 -0.08 -0.10 0.00 -2.08 0.00 0.00 39.78 38.25 1h94 n ASN 239 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1h94 h HIS 240 N 0.00 -1.44 -0.03 -2.53 3.86 -1.70 -2.75 115.15 110.56 1h94 h HIS 240 Ca 0.00 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1h94 h HIS 240 Cb 0.00 0.58 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 1h94 h HIS 240 CO 0.00 -0.64 -0.13 1.15 0.86 0.00 0.00 177.93 179.17 1h94 h THR 241 N -0.89 0.66 -0.97 2.45 2.02 -1.28 -2.54 112.91 112.36 1h94 h THR 241 Ca -0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1h94 h THR 241 Cb 0.82 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 1h94 h THR 241 CO -0.16 0.00 0.64 0.24 0.37 0.00 0.00 175.52 176.60 1h94 h MET 242 N -0.21 1.18 0.00 6.66 2.86 -1.48 0.26 114.93 124.19 1h94 h MET 242 Ca 0.06 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1h94 h MET 242 Cb 0.29 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1h94 h MET 242 CO -0.15 0.78 -0.11 1.96 1.06 0.00 0.00 176.91 180.45 1h94 h GLN 243 N 1.21 0.00 0.17 1.72 1.08 -1.28 0.23 115.11 118.24 1h94 h GLN 243 Ca 0.39 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.33 1h94 h GLN 243 Cb 0.03 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1h94 h GLN 243 CO -0.13 0.11 -1.20 0.82 -0.95 0.00 0.00 178.83 177.49 1h94 h ILE 244 N 0.00 1.30 -0.12 2.54 2.04 -0.88 -3.18 117.51 119.21 1h94 h ILE 244 Ca -0.00 -2.55 0.04 0.00 1.00 0.00 0.00 64.86 63.34 1h94 h ILE 244 Cb 0.69 3.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.79 1h94 h ILE 244 CO 0.01 0.75 0.10 0.58 0.00 0.00 0.00 178.15 179.60 1h94 h VAL 245 N -0.18 0.76 -0.28 1.67 2.07 -0.67 -1.19 116.25 118.43 1h94 h VAL 245 Ca -0.22 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1h94 h VAL 245 Cb 1.85 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1h94 h VAL 245 CO 0.17 0.00 0.06 1.23 0.02 0.00 0.00 177.57 179.05 1h94 h GLY 246 N 0.00 0.50 1.40 2.17 0.00 -0.94 0.03 103.07 106.22 1h94 h GLY 246 Ca 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1h94 h GLY 246 CO -0.00 0.30 0.23 1.49 0.00 0.00 0.00 176.54 178.56 1h94 h TRP 247 N 0.29 0.77 -0.06 5.60 4.06 -1.24 -2.02 115.95 123.35 1h94 h TRP 247 Ca 0.09 -0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 1h94 h TRP 247 Cb 0.31 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1h94 h TRP 247 CO 0.02 0.59 -0.32 -0.07 -3.56 0.00 0.00 178.44 175.10 1h94 h LEU 248 N 0.77 0.39 0.00 -4.49 3.38 -1.17 -3.34 115.31 110.84 1h94 h LEU 248 Ca 0.19 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1h94 h LEU 248 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h94 h LEU 248 CO -0.02 0.98 -0.28 0.00 0.09 0.00 0.00 178.44 179.20 1h94 n ALA 249 N -2.51 2.85 -1.30 1.53 0.00 -0.03 -4.97 120.51 116.09 1h94 n ALA 249 Ca -0.08 -0.20 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 1h94 n ALA 249 Cb 0.50 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.72 1h94 n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h94 n MET 250 N -1.71 0.36 -1.95 0.00 0.00 -0.76 -4.78 117.12 108.27 1h94 n MET 250 Ca 0.06 0.16 -0.29 0.00 0.00 0.00 0.00 57.70 57.63 1h94 n MET 250 Cb 0.37 -1.87 0.15 0.00 0.00 0.00 0.00 33.22 31.87 1h94 n MET 250 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1h94 s GLU 251 N -2.76 1.12 -0.28 3.17 0.41 -0.90 -4.97 118.70 114.50 1h94 s GLU 251 Ca 0.67 -0.27 -0.24 0.00 -0.41 0.00 0.00 54.97 54.71 1h94 s GLU 251 Cb -0.36 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 1h94 s GLU 251 CO 0.56 -2.10 0.83 0.21 -0.49 0.00 0.00 175.26 174.28 1h94 s LYS 252 N -5.75 4.06 0.69 1.61 2.20 -1.26 -4.79 119.74 116.51 1h94 s LYS 252 Ca 0.70 0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 56.94 1h94 s LYS 252 Cb -0.06 -3.70 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 1h94 s LYS 252 CO 0.51 -0.64 1.14 -1.25 -0.36 0.00 0.00 175.35 174.76 1h94 s PRO 253 N 2.98 2.51 0.02 4.03 0.04 -1.26 -4.93 135.00 138.39 1h94 s PRO 253 Ca 0.35 1.51 0.22 0.00 0.04 0.00 0.00 61.00 63.12 1h94 s PRO 253 Cb -0.14 -1.90 0.95 0.00 0.04 0.00 0.00 34.50 33.44 1h94 s PRO 253 CO 0.11 -1.49 1.72 0.39 0.04 0.00 0.00 177.00 177.76 1h94 n GLU 254 N -2.60 0.02 -3.72 4.56 -0.58 -1.26 -4.86 120.64 112.20 1h94 n GLU 254 Ca 0.11 0.13 -0.01 0.00 -0.42 0.00 0.00 57.16 56.97 1h94 n GLU 254 Cb 0.51 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.85 1h94 n GLU 254 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1h94 s SER 255 N -3.10 -0.11 -0.70 1.62 0.15 -1.26 -5.06 113.70 105.23 1h94 s SER 255 Ca 0.11 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1h94 s SER 255 Cb 0.14 0.35 0.41 0.00 -1.71 0.00 0.00 66.02 65.20 1h94 s SER 255 CO 0.41 -0.64 1.91 0.33 1.20 0.00 0.00 173.24 176.45 1h94 n PHE 256 N -0.51 3.11 -4.17 3.44 7.35 -1.26 -4.39 117.46 121.03 1h94 n PHE 256 Ca -0.07 -2.68 -0.22 0.00 -0.76 0.00 0.00 57.45 53.73 1h94 n PHE 256 Cb 0.61 -1.16 -0.05 0.00 0.35 0.00 0.00 39.48 39.23 1h94 n PHE 256 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1h94 s THR 257 N -4.97 4.12 0.25 -2.13 -4.23 -1.26 -4.97 115.64 102.45 1h94 s THR 257 Ca 0.57 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1h94 s THR 257 Cb 0.46 -3.23 0.23 0.00 1.34 0.00 0.00 72.50 71.30 1h94 s THR 257 CO -0.20 -0.35 1.74 -2.24 -0.54 0.00 0.00 174.62 173.03 1h94 h ASP 258 N 1.61 0.39 -0.26 3.99 3.04 -1.93 0.14 116.42 123.40 1h94 h ASP 258 Ca -0.47 0.10 0.03 0.00 -3.24 0.00 0.00 57.03 53.45 1h94 h ASP 258 Cb 1.24 0.05 -0.03 0.00 -1.04 0.00 0.00 39.33 39.56 1h94 h ASP 258 CO 0.61 0.15 0.08 0.50 -2.04 0.00 0.00 179.24 178.54 1h94 h LYS 259 N 0.52 0.19 -0.03 4.15 3.64 -1.95 -0.80 116.57 122.28 1h94 h LYS 259 Ca 0.44 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.61 1h94 h LYS 259 Cb 0.65 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1h94 h LYS 259 CO -0.39 0.13 -0.80 -0.44 -2.27 0.00 0.00 179.45 175.68 1h94 h ASP 260 N 0.20 0.38 -0.14 4.20 3.32 -1.71 -2.42 116.42 120.25 1h94 h ASP 260 Ca 0.12 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1h94 h ASP 260 Cb 0.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1h94 h ASP 260 CO -0.13 1.04 0.06 0.40 -1.72 0.00 0.00 179.24 178.89 1h94 h ILE 261 N 0.20 1.15 -0.91 0.35 2.04 -0.71 -1.29 117.51 118.34 1h94 h ILE 261 Ca -0.04 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1h94 h ILE 261 Cb 1.40 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 1h94 h ILE 261 CO 0.13 0.14 0.60 0.03 0.00 0.00 0.00 178.15 179.05 1h94 h ARG 262 N 0.08 1.21 -0.69 2.37 3.08 -1.17 -0.54 114.38 118.72 1h94 h ARG 262 Ca 0.05 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1h94 h ARG 262 Cb 0.16 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1h94 h ARG 262 CO -0.00 0.81 0.37 0.00 -1.07 0.00 0.00 179.97 180.07 1h94 h ALA 263 N 1.33 1.35 -0.34 0.04 0.00 -1.17 -0.92 119.26 119.54 1h94 h ALA 263 Ca 0.33 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1h94 h ALA 263 Cb -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1h94 h ALA 263 CO -0.07 0.53 -0.33 0.00 0.00 0.00 0.00 179.25 179.38 1h94 h ALA 264 N 1.44 0.50 -0.35 0.00 0.00 -0.12 -2.90 119.26 117.83 1h94 h ALA 264 Ca 0.24 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1h94 h ALA 264 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1h94 h ALA 264 CO -0.04 0.55 -0.31 0.87 0.00 0.00 0.00 179.25 180.32 1h94 h LYS 265 N 0.61 0.83 -0.03 0.00 1.57 -0.89 -2.37 116.57 116.29 1h94 h LYS 265 Ca 0.06 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1h94 h LYS 265 Cb 0.91 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1h94 h LYS 265 CO 0.08 1.06 -0.05 -0.91 -0.57 0.00 0.00 179.45 179.07 1h94 h ASN 266 N 0.61 0.04 -0.61 0.86 2.35 -1.17 -1.07 115.58 116.58 1h94 h ASN 266 Ca 0.06 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1h94 h ASN 266 Cb 0.89 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 1h94 h ASN 266 CO 0.08 0.09 0.41 0.00 -1.65 0.00 0.00 177.43 176.36 1h94 h ALA 267 N 1.92 1.60 0.08 -0.83 0.00 -1.49 0.13 119.26 120.67 1h94 h ALA 267 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1h94 h ALA 267 Cb 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1h94 h ALA 267 CO 0.01 0.36 -0.54 0.00 0.00 0.00 0.00 179.25 179.07 1h94 h ALA 268 N 1.63 -0.05 -0.69 0.00 0.00 -1.34 -3.24 119.26 115.57 1h94 h ALA 268 Ca 0.23 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1h94 h ALA 268 Cb -0.03 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1h94 h ALA 268 CO -0.06 0.25 0.39 0.74 0.00 0.00 0.00 179.25 180.58 1h94 h PHE 269 N -0.53 0.73 0.00 0.00 0.04 -1.08 -0.62 116.94 115.48 1h94 h PHE 269 Ca -0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1h94 h PHE 269 Cb 1.40 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1h94 h PHE 269 CO 0.21 0.36 0.00 0.09 -0.60 0.00 0.00 178.31 178.37 1h94 n ASN 270 N -4.76 0.00 -0.17 2.17 4.13 0.42 -1.23 115.26 115.82 1h94 n ASN 270 Ca 0.09 0.24 0.06 0.00 1.68 0.00 0.00 54.58 56.64 1h94 n ASN 270 Cb 0.17 -0.34 -0.02 0.00 -1.54 0.00 0.00 39.78 38.04 1h94 n ASN 270 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1h94 n ALA 271 N -1.34 3.11 -1.75 5.41 0.00 -0.31 -5.00 120.51 120.63 1h94 n ALA 271 Ca 0.04 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1h94 n ALA 271 Cb 0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1h94 n ALA 271 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1h94 s LEU 272 N -2.01 4.34 -0.04 0.00 2.96 -0.36 -1.35 118.68 122.22 1h94 s LEU 272 Ca 0.08 2.96 -0.21 0.00 -0.22 0.00 0.00 54.13 56.73 1h94 s LEU 272 Cb 0.09 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1h94 s LEU 272 CO 0.35 -0.94 0.62 -0.75 -1.32 0.00 0.00 176.35 174.32 1h94 s LYS 273 N -0.29 4.37 -0.13 1.98 2.20 -0.83 -4.93 119.74 122.13 1h94 s LYS 273 Ca 0.65 0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 56.88 1h94 s LYS 273 Cb -0.48 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 1h94 s LYS 273 CO 0.46 0.23 0.32 0.42 -0.36 0.00 0.00 175.35 176.42 1h94 s ILE 274 N 0.28 5.26 0.22 5.43 -1.09 -1.26 -4.81 121.20 125.25 1h94 s ILE 274 Ca 0.33 0.61 -0.07 0.00 -2.23 0.00 0.00 60.65 59.29 1h94 s ILE 274 Cb -0.18 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 1h94 s ILE 274 CO 0.17 0.43 0.51 -0.31 -1.23 0.00 0.00 174.94 174.51 1h94 s TYR 275 N 0.13 3.45 0.14 3.97 2.02 -1.26 -5.11 117.35 120.69 1h94 s TYR 275 Ca 0.19 0.74 0.02 0.00 -0.37 0.00 0.00 57.07 57.65 1h94 s TYR 275 Cb -0.14 -2.16 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1h94 s TYR 275 CO 0.06 0.28 0.19 -0.40 -1.57 0.00 0.00 175.55 174.12 1h94 n ASP 276 N -0.29 0.50 0.09 2.29 5.68 -1.26 -4.80 116.55 118.76 1h94 n ASP 276 Ca -0.01 -1.37 -0.12 0.00 -0.50 0.00 0.00 54.79 52.80 1h94 n ASP 276 Cb 0.53 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 1h94 n ASP 276 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1h94 h GLU 277 N 0.00 -0.24 -0.36 0.11 4.81 -1.99 -1.99 114.58 114.92 1h94 h GLU 277 Ca -0.07 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1h94 h GLU 277 Cb 0.30 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1h94 h GLU 277 CO 0.09 -0.16 0.11 0.00 -0.73 0.00 0.00 179.01 178.33 1h94 h ALA 278 N 0.64 0.41 -0.77 2.92 0.00 -1.96 -2.34 119.26 118.15 1h94 h ALA 278 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h94 h ALA 278 Cb 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1h94 h ALA 278 CO -0.07 -0.28 0.46 0.93 0.00 0.00 0.00 179.25 180.28 1h94 h GLU 279 N 0.26 1.05 -0.75 0.00 5.08 -1.93 -1.72 114.58 116.58 1h94 h GLU 279 Ca 0.16 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1h94 h GLU 279 Cb 0.15 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1h94 h GLU 279 CO -0.18 0.74 0.50 0.28 -1.00 0.00 0.00 179.01 179.35 1h94 h VAL 280 N 1.07 1.19 0.00 3.13 2.07 -0.84 0.18 116.25 123.05 1h94 h VAL 280 Ca 0.28 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1h94 h VAL 280 Cb -0.03 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1h94 h VAL 280 CO -0.05 0.18 -0.23 0.78 0.02 0.00 0.00 177.57 178.27 1h94 h ASN 281 N 1.01 0.00 0.21 0.57 4.21 -1.01 -1.37 115.58 119.20 1h94 h ASN 281 Ca 0.28 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.44 1h94 h ASN 281 Cb -0.11 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.08 1h94 h ASN 281 CO -0.06 0.23 -1.85 0.50 -1.29 0.00 0.00 177.43 174.96 1h94 h LYS 282 N 0.00 0.29 -0.00 0.81 3.64 -0.52 -3.41 116.57 117.38 1h94 h LYS 282 Ca -0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1h94 h LYS 282 Cb 0.73 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1h94 h LYS 282 CO 0.03 1.18 -0.88 0.66 -2.27 0.00 0.00 179.45 178.17 1h94 n TYR 283 N -3.48 0.00 -4.31 1.91 4.01 0.55 -5.01 117.16 110.83 1h94 n TYR 283 Ca -0.27 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.29 1h94 n TYR 283 Cb 1.06 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.99 1h94 n TYR 283 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1h94 s PHE 284 N -2.88 1.60 -0.03 -0.72 0.40 -0.52 -1.21 117.98 114.62 1h94 s PHE 284 Ca 0.10 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1h94 s PHE 284 Cb 0.16 -0.77 0.03 0.00 0.51 0.00 0.00 43.02 42.95 1h94 s PHE 284 CO 0.80 0.28 0.06 0.08 0.70 0.00 0.00 175.22 177.14 1h94 s VAL 285 N -2.85 -0.05 -0.03 -0.44 1.01 0.10 -4.73 120.40 113.41 1h94 s VAL 285 Ca 0.19 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1h94 s VAL 285 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 1h94 s VAL 285 CO 0.05 0.07 -0.20 0.00 0.00 0.00 0.00 175.10 175.02 1h94 s ARG 286 N 0.90 1.83 0.27 2.72 1.70 -1.26 -1.34 118.95 123.77 1h94 s ARG 286 Ca -0.07 -0.72 0.01 0.00 -0.47 0.00 0.00 55.73 54.48 1h94 s ARG 286 Cb -0.10 -1.67 -0.03 0.00 -0.57 0.00 0.00 34.95 32.58 1h94 s ARG 286 CO -0.03 0.37 0.26 0.00 -1.08 0.00 0.00 175.30 174.82 1h94 s ALA 287 N -0.27 1.30 -0.06 7.88 0.00 -0.37 -1.57 121.76 128.67 1h94 s ALA 287 Ca 0.03 -1.77 -0.05 0.00 0.00 0.00 0.00 51.96 50.16 1h94 s ALA 287 Cb -0.10 1.38 0.02 0.00 0.00 0.00 0.00 23.12 24.42 1h94 s ALA 287 CO 0.01 -0.66 0.16 -1.14 0.00 0.00 0.00 175.76 174.13 1h94 s GLN 288 N -3.73 0.18 0.13 0.00 0.74 0.12 -0.52 119.66 116.59 1h94 s GLN 288 Ca 0.38 0.25 -0.30 0.00 0.05 0.00 0.00 55.36 55.73 1h94 s GLN 288 Cb 0.04 0.06 -0.06 0.00 1.10 0.00 0.00 33.01 34.15 1h94 s GLN 288 CO 0.19 -0.04 0.99 1.52 -0.55 0.00 0.00 175.29 177.41 1h94 s TYR 289 N 0.21 3.77 0.00 1.67 -0.85 -1.26 -2.46 117.35 118.42 1h94 s TYR 289 Ca -0.01 1.75 0.00 0.00 -0.52 0.00 0.00 57.07 58.29 1h94 s TYR 289 Cb -0.02 -3.10 0.00 0.00 0.38 0.00 0.00 41.96 39.21 1h94 s TYR 289 CO -0.01 0.02 0.00 0.41 -1.52 0.00 0.00 175.55 174.46 1h94 n GLY 290 N 2.20 1.98 3.87 5.49 0.00 0.26 -0.61 105.19 118.38 1h94 n GLY 290 Ca 0.02 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 1h94 n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h94 s ALA 291 N -2.98 3.19 0.00 4.61 0.00 -1.26 -3.81 121.76 121.52 1h94 s ALA 291 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1h94 s ALA 291 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1h94 s ALA 291 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1h94 n GLY 292 N -1.87 0.73 0.91 0.00 0.00 -1.17 -2.52 105.19 101.27 1h94 n GLY 292 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1h94 n GLY 292 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h94 n ASP 293 N 0.00 0.84 -4.77 1.61 8.00 -1.26 -4.81 116.55 116.16 1h94 n ASP 293 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1h94 n ASP 293 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1h94 n ASP 293 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1h94 s SER 294 N -4.62 6.88 0.42 -2.24 0.15 -1.26 -4.90 113.70 108.13 1h94 s SER 294 Ca 0.00 2.43 0.29 0.00 0.70 0.00 0.00 55.95 59.37 1h94 s SER 294 Cb 0.00 -2.63 1.35 0.00 -1.71 0.00 0.00 66.02 63.03 1h94 s SER 294 CO 0.00 -0.43 1.88 0.00 1.20 0.00 0.00 173.24 175.89 1h94 h ALA 295 N 3.31 1.00 -0.52 5.45 0.00 -2.03 -0.77 119.26 125.69 1h94 h ALA 295 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1h94 h ALA 295 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1h94 h ALA 295 CO 0.65 0.00 0.35 0.22 0.00 0.00 0.00 179.25 180.47 1h94 h ASP 296 N 0.00 0.57 -3.62 0.00 1.82 -2.03 -3.32 116.42 109.85 1h94 h ASP 296 Ca 0.00 -0.01 -0.77 0.00 -0.39 0.00 0.00 57.03 55.85 1h94 h ASP 296 Cb 0.30 -0.14 -0.26 0.00 0.68 0.00 0.00 39.33 39.91 1h94 h ASP 296 CO 0.00 0.41 -0.03 -0.36 -1.61 0.00 0.00 179.24 177.65 1h94 s PHE 297 N -5.59 3.59 0.26 0.28 0.08 -0.30 -5.05 117.98 111.26 1h94 s PHE 297 Ca -0.09 -1.83 -0.16 0.00 0.12 0.00 0.00 56.93 54.97 1h94 s PHE 297 Cb 0.18 -3.77 -0.08 0.00 -0.57 0.00 0.00 43.02 38.77 1h94 s PHE 297 CO 0.75 -0.99 0.70 0.15 -0.10 0.00 0.00 175.22 175.73 1h94 s LYS 298 N 0.59 4.09 0.80 0.44 1.02 -1.25 -3.04 119.74 122.39 1h94 s LYS 298 Ca 0.13 0.71 -0.13 0.00 0.02 0.00 0.00 55.97 56.70 1h94 s LYS 298 Cb -0.17 -2.67 0.08 0.00 -0.52 0.00 0.00 37.83 34.56 1h94 s LYS 298 CO -0.05 0.29 1.21 -2.14 -0.92 0.00 0.00 175.35 173.74 1h94 s PRO 299 N -2.48 1.66 0.16 -1.68 0.02 -1.25 -4.74 135.00 126.68 1h94 s PRO 299 Ca 0.48 1.78 -0.16 0.00 0.02 0.00 0.00 61.00 63.12 1h94 s PRO 299 Cb -0.13 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.70 1h94 s PRO 299 CO 0.19 -2.21 1.70 -0.92 -0.33 0.00 0.00 177.00 175.44 1h94 h TYR 300 N -0.84 -0.02 0.00 6.54 3.20 -1.09 -1.69 116.97 123.07 1h94 h TYR 300 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1h94 h TYR 300 Cb 1.30 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.63 1h94 h TYR 300 CO 0.46 -0.07 0.00 1.28 -1.64 0.00 0.00 178.16 178.19 1h94 n LEU 301 N -5.18 0.00 0.00 2.82 4.77 -1.26 -1.15 117.00 116.99 1h94 n LEU 301 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1h94 n LEU 301 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1h94 n LEU 301 CO 0.20 0.00 0.42 -0.62 -1.33 0.00 0.00 177.39 176.06 1h94 n GLU 302 N -0.72 1.99 -1.96 3.23 1.02 -0.64 -4.68 120.64 118.88 1h94 n GLU 302 Ca 0.03 -1.19 -0.31 0.00 -0.02 0.00 0.00 57.16 55.66 1h94 n GLU 302 Cb 0.01 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1h94 n GLU 302 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1h94 s GLU 303 N -0.70 3.65 0.41 3.49 0.41 -0.30 -4.93 118.70 120.72 1h94 s GLU 303 Ca 0.00 0.79 -0.25 0.00 -0.41 0.00 0.00 54.97 55.10 1h94 s GLU 303 Cb 0.00 -2.09 -0.08 0.00 -1.78 0.00 0.00 34.13 30.18 1h94 s GLU 303 CO 0.00 -0.53 1.18 -0.51 -0.49 0.00 0.00 175.26 174.91 1h94 s LEU 304 N -4.99 4.17 -0.37 1.80 1.02 -1.26 -3.01 118.68 116.04 1h94 s LEU 304 Ca 0.56 2.38 0.00 0.00 0.02 0.00 0.00 54.13 57.08 1h94 s LEU 304 Cb -0.11 -4.04 0.00 0.00 0.02 0.00 0.00 46.19 42.06 1h94 s LEU 304 CO 0.50 -0.74 0.00 0.47 0.02 0.00 0.00 176.35 176.60 1h94 n ASP 305 N -0.01 -4.65 -4.49 2.29 9.92 -1.26 -4.73 116.55 113.63 1h94 n ASP 305 Ca 0.05 0.09 -0.35 0.00 -0.53 0.00 0.00 54.79 54.04 1h94 n ASP 305 Cb 0.46 -2.46 -0.12 0.00 -0.64 0.00 0.00 41.12 38.37 1h94 n ASP 305 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1h94 s VAL 306 N -1.72 4.24 0.29 2.53 1.01 -1.16 -4.65 120.40 120.94 1h94 s VAL 306 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1h94 s VAL 306 Cb 0.00 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 1h94 s VAL 306 CO 0.00 0.41 1.38 -2.84 0.00 0.00 0.00 175.10 174.05 1h94 s PRO 307 N 1.03 4.30 0.00 2.72 0.02 -1.26 -4.83 135.00 136.98 1h94 s PRO 307 Ca 0.03 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1h94 s PRO 307 Cb -0.14 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1h94 s PRO 307 CO 0.02 -0.32 0.40 0.00 -0.33 0.00 0.00 177.00 176.77 1h94 n ALA 308 N 1.62 1.90 -2.00 -1.55 0.00 -1.26 -1.44 120.51 117.78 1h94 n ALA 308 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1h94 n ALA 308 Cb 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1h94 n ALA 308 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h94 n ASP 309 N -0.18 0.00 -4.76 0.00 5.75 -1.26 -5.10 116.55 111.00 1h94 n ASP 309 Ca 0.00 -1.87 -0.40 0.00 -0.01 0.00 0.00 54.79 52.51 1h94 n ASP 309 Cb 0.06 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 1h94 n ASP 309 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1h94 s SER 310 N -0.87 7.05 -0.17 -1.12 0.15 -0.52 -4.93 113.70 113.29 1h94 s SER 310 Ca 0.00 2.45 0.17 0.00 0.70 0.00 0.00 55.95 59.27 1h94 s SER 310 Cb 0.00 -2.64 0.44 0.00 -1.71 0.00 0.00 66.02 62.12 1h94 s SER 310 CO -0.00 -0.31 1.33 0.29 1.20 0.00 0.00 173.24 175.74 1h94 n LYS 311 N 1.05 2.20 -1.84 5.44 4.01 -1.26 -5.03 118.16 122.73 1h94 n LYS 311 Ca -0.01 -2.80 -0.41 0.00 -0.51 0.00 0.00 58.31 54.58 1h94 n LYS 311 Cb 0.43 -1.72 -0.01 0.00 -0.51 0.00 0.00 35.03 33.23 1h94 n LYS 311 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1h94 s ASN 312 N -2.37 6.40 -0.21 4.39 3.04 -1.26 -4.96 114.94 119.97 1h94 s ASN 312 Ca 0.39 2.98 -0.18 0.00 0.04 0.00 0.00 52.86 56.09 1h94 s ASN 312 Cb 0.33 -2.66 -0.03 0.00 -1.54 0.00 0.00 41.25 37.35 1h94 s ASN 312 CO 0.05 -0.84 0.50 0.54 -3.04 0.00 0.00 177.10 174.31 1h94 s ASN 313 N -0.03 6.52 0.00 -4.21 2.20 -1.26 -4.69 114.94 113.47 1h94 s ASN 313 Ca 0.55 0.63 0.23 0.00 -0.94 0.00 0.00 52.86 53.32 1h94 s ASN 313 Cb -0.46 -2.28 0.12 0.00 -2.00 0.00 0.00 41.25 36.63 1h94 s ASN 313 CO 0.58 -0.18 1.18 0.35 -2.94 0.00 0.00 177.10 176.10 1h94 n THR 314 N 4.61 0.00 -3.72 0.54 -2.24 0.32 -1.81 114.28 111.98 1h94 n THR 314 Ca -0.05 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 1h94 n THR 314 Cb 0.50 1.41 -0.11 0.00 -2.10 0.00 0.00 70.33 70.04 1h94 n THR 314 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1h94 s PHE 315 N -2.11 -0.49 0.01 4.78 2.19 -1.09 -0.63 117.98 120.64 1h94 s PHE 315 Ca 0.24 1.10 0.04 0.00 0.33 0.00 0.00 56.93 58.64 1h94 s PHE 315 Cb 0.19 0.19 -0.01 0.00 -1.31 0.00 0.00 43.02 42.07 1h94 s PHE 315 CO 0.38 -0.27 -0.11 0.42 1.83 0.00 0.00 175.22 177.47 1h94 s ILE 316 N 0.90 0.86 -0.11 3.12 -1.09 0.73 -1.24 121.20 124.37 1h94 s ILE 316 Ca -0.06 -0.64 -0.08 0.00 -2.23 0.00 0.00 60.65 57.64 1h94 s ILE 316 Cb -0.06 -0.75 0.04 0.00 -1.58 0.00 0.00 42.46 40.10 1h94 s ILE 316 CO -0.07 0.12 0.29 0.00 -1.23 0.00 0.00 174.94 174.05 1h94 s ALA 317 N -0.49 -0.70 0.25 9.38 0.00 -0.45 -1.15 121.76 128.59 1h94 s ALA 317 Ca 0.02 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 1h94 s ALA 317 Cb -0.05 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.50 1h94 s ALA 317 CO 0.00 -0.18 0.73 0.20 0.00 0.00 0.00 175.76 176.51 1h94 s GLY 318 N 0.75 -0.18 -0.27 0.00 0.00 -0.66 0.02 107.32 106.98 1h94 s GLY 318 Ca -0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.47 1h94 s GLY 318 CO -0.05 -0.04 0.04 1.85 0.00 0.00 0.00 173.10 174.90 1h94 s GLU 319 N -3.83 3.14 0.02 2.90 2.12 -0.35 -1.74 118.70 120.96 1h94 s GLU 319 Ca 0.10 -0.81 -0.05 0.00 0.36 0.00 0.00 54.97 54.56 1h94 s GLU 319 Cb -0.05 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1h94 s GLU 319 CO 0.04 -0.38 0.26 -0.51 -0.54 0.00 0.00 175.26 174.12 1h94 s LEU 320 N 1.48 4.36 -0.05 2.70 1.02 0.12 -4.91 118.68 123.39 1h94 s LEU 320 Ca 0.03 0.50 0.04 0.00 0.02 0.00 0.00 54.13 54.72 1h94 s LEU 320 Cb -0.17 -2.74 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1h94 s LEU 320 CO 0.01 0.23 -0.16 -1.10 0.02 0.00 0.00 176.35 175.34 1h94 s GLN 321 N -1.93 1.86 -0.27 1.70 -0.21 -1.26 -2.04 119.66 117.50 1h94 s GLN 321 Ca 0.29 -0.57 -0.03 0.00 0.02 0.00 0.00 55.36 55.07 1h94 s GLN 321 Cb -0.13 -1.56 0.03 0.00 1.00 0.00 0.00 33.01 32.35 1h94 s GLN 321 CO 0.18 0.18 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.45 1h94 s PHE 322 N 0.23 3.14 -0.92 0.91 0.08 -1.26 -1.96 117.98 118.19 1h94 s PHE 322 Ca -0.08 -1.55 -0.08 0.00 0.12 0.00 0.00 56.93 55.35 1h94 s PHE 322 Cb -0.13 -2.11 -0.14 0.00 -0.57 0.00 0.00 43.02 40.07 1h94 s PHE 322 CO 0.03 -0.73 2.97 -3.47 -0.10 0.00 0.00 175.22 173.93 1h94 n ASP 323 N 4.69 6.72 -4.42 1.36 -0.08 -0.46 -4.36 116.55 120.01 1h94 n ASP 323 Ca -0.15 -2.46 -0.29 0.00 -1.51 0.00 0.00 54.79 50.37 1h94 n ASP 323 Cb 0.46 -1.39 -0.13 0.00 2.34 0.00 0.00 41.12 42.41 1h94 n ASP 323 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1h94 s LEU 324 N 0.10 2.43 0.26 -2.67 1.43 -1.26 -4.90 118.68 114.06 1h94 s LEU 324 Ca 0.62 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1h94 s LEU 324 Cb 0.21 -1.33 0.49 0.00 0.03 0.00 0.00 46.19 45.59 1h94 s LEU 324 CO -0.03 0.19 1.78 -0.65 0.23 0.00 0.00 176.35 177.86 1h94 h PRO 325 N 3.92 0.64 0.00 1.29 0.11 -2.00 -0.28 132.00 135.68 1h94 h PRO 325 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1h94 h PRO 325 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1h94 h PRO 325 CO 0.42 0.43 0.00 0.07 -0.21 0.00 0.00 178.00 178.70 1h94 h ARG 326 N 0.66 0.00 -0.09 1.05 0.11 -1.96 -3.06 114.38 111.10 1h94 h ARG 326 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 1h94 h ARG 326 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1h94 h ARG 326 CO -0.33 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.65 1h94 n TRP 327 N -2.68 0.20 -1.49 4.08 5.03 -0.22 -0.16 117.44 122.20 1h94 n TRP 327 Ca 0.01 -0.73 -0.43 0.00 3.03 0.00 0.00 57.50 59.39 1h94 n TRP 327 Cb 0.28 -0.12 -0.09 0.00 -1.03 0.00 0.00 31.31 30.35 1h94 n TRP 327 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 1h94 n GLU 328 N -0.68 0.58 -0.85 -0.99 1.02 -0.59 -1.07 120.64 118.05 1h94 n GLU 328 Ca 0.10 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1h94 n GLU 328 Cb 0.50 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1h94 n GLU 328 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h94 n GLY 329 N 6.42 0.57 3.51 0.62 0.00 -1.26 -4.91 105.19 110.14 1h94 n GLY 329 Ca 0.50 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 1h94 n GLY 329 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h94 s VAL 330 N -2.00 5.08 0.24 1.61 1.01 -0.23 -5.01 120.40 121.09 1h94 s VAL 330 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1h94 s VAL 330 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1h94 s VAL 330 CO 0.00 -0.33 1.21 -2.84 0.00 0.00 0.00 175.10 173.14 1h94 s PRO 331 N 2.19 4.49 -0.27 2.72 0.02 -1.26 -4.69 135.00 138.20 1h94 s PRO 331 Ca 0.14 1.95 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 1h94 s PRO 331 Cb -0.16 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1h94 s PRO 331 CO 0.13 -0.05 0.00 -0.06 -0.33 0.00 0.00 177.00 176.70 1h94 s PHE 332 N -0.52 3.12 -0.13 6.54 0.40 -0.87 -1.54 117.98 124.99 1h94 s PHE 332 Ca 0.50 -1.36 -0.05 0.00 -0.60 0.00 0.00 56.93 55.41 1h94 s PHE 332 Cb -0.34 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1h94 s PHE 332 CO 0.41 -0.68 0.07 0.71 0.70 0.00 0.00 175.22 176.43 1h94 s TYR 333 N 1.39 3.34 0.09 0.36 2.02 0.72 0.10 117.35 125.36 1h94 s TYR 333 Ca 0.00 0.26 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 1h94 s TYR 333 Cb -0.17 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1h94 s TYR 333 CO -0.01 0.45 -0.14 0.14 -1.57 0.00 0.00 175.55 174.41 1h94 s VAL 334 N -0.49 1.21 -0.23 0.71 -7.23 -0.71 -0.01 120.40 113.65 1h94 s VAL 334 Ca 0.10 -1.48 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 1h94 s VAL 334 Cb -0.12 -1.27 0.06 0.00 0.56 0.00 0.00 36.38 35.61 1h94 s VAL 334 CO 0.02 -0.30 0.60 0.00 -0.31 0.00 0.00 175.10 175.10 1h94 s ARG 335 N -2.13 0.68 -0.08 4.82 1.70 -0.70 -1.65 118.95 121.58 1h94 s ARG 335 Ca 0.03 0.89 -0.05 0.00 -0.47 0.00 0.00 55.73 56.12 1h94 s ARG 335 Cb -0.08 0.28 0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1h94 s ARG 335 CO 0.02 -0.10 0.20 -1.12 -1.08 0.00 0.00 175.30 173.23 1h94 s SER 336 N 0.59 -0.20 0.20 -2.89 0.01 -0.30 -1.01 113.70 110.10 1h94 s SER 336 Ca -0.02 0.42 -0.22 0.00 1.31 0.00 0.00 55.95 57.44 1h94 s SER 336 Cb -0.05 0.34 0.05 0.00 0.21 0.00 0.00 66.02 66.57 1h94 s SER 336 CO -0.03 -0.13 0.66 -0.83 0.41 0.00 0.00 173.24 173.31 1h94 s GLY 337 N 0.92 -0.40 0.27 3.44 0.00 -1.15 -0.19 107.32 110.22 1h94 s GLY 337 Ca -0.07 0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.90 1h94 s GLY 337 CO -0.05 0.06 0.26 0.54 0.00 0.00 0.00 173.10 173.91 1h94 s LYS 338 N -3.80 2.97 -1.53 2.90 -0.14 0.19 -3.00 119.74 117.35 1h94 s LYS 338 Ca 0.05 -1.06 -0.10 0.00 -1.36 0.00 0.00 55.97 53.50 1h94 s LYS 338 Cb -0.03 -2.61 0.08 0.00 -1.68 0.00 0.00 37.83 33.58 1h94 s LYS 338 CO -0.05 0.31 0.76 0.54 -0.76 0.00 0.00 175.35 176.15 1h94 n ARG 339 N -1.29 -4.25 -2.81 1.68 5.12 -0.85 -4.91 116.66 109.36 1h94 n ARG 339 Ca -0.06 0.49 -0.20 0.00 -1.93 0.00 0.00 57.85 56.15 1h94 n ARG 339 Cb 0.58 -5.12 0.05 0.00 -1.16 0.00 0.00 32.46 26.82 1h94 n ARG 339 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1h94 s LEU 340 N -7.13 3.25 0.33 0.55 1.43 -0.18 -0.41 118.68 116.52 1h94 s LEU 340 Ca 0.45 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 1h94 s LEU 340 Cb -0.24 -2.31 0.80 0.00 0.03 0.00 0.00 46.19 44.47 1h94 s LEU 340 CO 0.87 -1.27 1.80 0.00 0.23 0.00 0.00 176.35 177.98 1h94 h ALA 341 N 0.09 1.78 -2.85 4.21 0.00 0.63 -3.37 119.26 119.74 1h94 h ALA 341 Ca -0.37 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1h94 h ALA 341 Cb 1.28 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1h94 h ALA 341 CO 0.45 -0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.49 1h94 s ALA 342 N -5.77 -0.31 -0.31 0.00 0.00 -1.26 -4.94 121.76 109.17 1h94 s ALA 342 Ca -0.11 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 1h94 s ALA 342 Cb 0.24 1.05 -0.03 0.00 0.00 0.00 0.00 23.12 24.38 1h94 s ALA 342 CO 0.80 -0.87 0.26 0.21 0.00 0.00 0.00 175.76 176.16 1h94 s LYS 343 N -3.97 3.74 -0.23 0.00 2.36 -1.26 -3.35 119.74 117.03 1h94 s LYS 343 Ca 0.22 -0.39 -0.27 0.00 -2.55 0.00 0.00 55.97 52.97 1h94 s LYS 343 Cb -0.01 -3.73 0.14 0.00 -1.05 0.00 0.00 37.83 33.17 1h94 s LYS 343 CO 0.09 -0.34 1.08 -1.14 1.55 0.00 0.00 175.35 176.59 1h94 s GLN 344 N 1.84 0.46 -0.12 4.03 0.74 -1.13 -4.31 119.66 121.18 1h94 s GLN 344 Ca 0.09 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.82 1h94 s GLN 344 Cb -0.17 0.22 0.02 0.00 1.10 0.00 0.00 33.01 34.19 1h94 s GLN 344 CO 0.11 -0.10 -0.11 0.99 -0.55 0.00 0.00 175.29 175.62 1h94 s THR 345 N -0.41 1.29 0.15 -0.34 2.01 -0.87 -0.67 115.64 116.80 1h94 s THR 345 Ca 0.02 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.35 1h94 s THR 345 Cb -0.03 -1.24 0.05 0.00 0.01 0.00 0.00 72.50 71.29 1h94 s THR 345 CO -0.04 0.41 0.49 0.00 -0.69 0.00 0.00 174.62 174.79 1h94 s ARG 346 N 1.43 1.18 -0.09 4.92 1.70 -0.84 -0.19 118.95 127.07 1h94 s ARG 346 Ca 0.02 -0.62 0.04 0.00 -0.47 0.00 0.00 55.73 54.69 1h94 s ARG 346 Cb -0.13 0.52 -0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1h94 s ARG 346 CO -0.07 -0.49 -0.23 0.08 -1.08 0.00 0.00 175.30 173.51 1h94 s VAL 347 N -3.79 1.97 -0.24 4.99 1.01 -0.25 -1.51 120.40 122.58 1h94 s VAL 347 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1h94 s VAL 347 Cb 0.00 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.74 1h94 s VAL 347 CO -0.12 0.54 -0.09 -1.81 0.00 0.00 0.00 175.10 173.63 1h94 s ASP 348 N 0.25 4.09 -0.33 3.32 1.01 -0.18 -0.84 116.67 124.00 1h94 s ASP 348 Ca -0.15 -1.25 -0.15 0.00 0.71 0.00 0.00 52.55 51.71 1h94 s ASP 348 Cb -0.17 -1.37 -0.02 0.00 1.01 0.00 0.00 42.92 42.38 1h94 s ASP 348 CO 0.07 -0.20 0.36 -0.63 0.21 0.00 0.00 175.17 174.98 1h94 s ILE 349 N 1.25 5.18 -0.30 0.77 1.01 -0.11 -1.07 121.20 127.93 1h94 s ILE 349 Ca -0.07 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 1h94 s ILE 349 Cb -0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1h94 s ILE 349 CO -0.06 -0.05 0.19 -0.69 0.00 0.00 0.00 174.94 174.33 1h94 s VAL 350 N 2.01 5.11 0.46 2.92 1.01 -0.87 -0.82 120.40 130.23 1h94 s VAL 350 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 1h94 s VAL 350 Cb -0.16 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1h94 s VAL 350 CO 0.11 0.17 0.79 -0.36 0.00 0.00 0.00 175.10 175.81 1h94 s PHE 351 N 1.72 3.53 0.54 5.22 0.08 -0.46 0.06 117.98 128.67 1h94 s PHE 351 Ca 0.06 0.93 -0.20 0.00 0.12 0.00 0.00 56.93 57.85 1h94 s PHE 351 Cb -0.16 -2.38 -0.06 0.00 -0.57 0.00 0.00 43.02 39.85 1h94 s PHE 351 CO 0.10 -0.24 1.14 0.15 -0.10 0.00 0.00 175.22 176.27 1h94 s LYS 352 N -4.43 3.34 0.61 0.44 1.02 0.53 -3.97 119.74 117.28 1h94 s LYS 352 Ca 0.49 1.66 -0.16 0.00 0.02 0.00 0.00 55.97 57.97 1h94 s LYS 352 Cb -0.10 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 1h94 s LYS 352 CO 0.40 -0.87 1.10 0.00 -0.92 0.00 0.00 175.35 175.06 1h94 s ALA 353 N -1.73 2.61 0.44 5.17 0.00 -1.26 -4.65 121.76 122.34 1h94 s ALA 353 Ca 0.73 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 53.07 1h94 s ALA 353 Cb -0.25 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 1h94 s ALA 353 CO 0.28 -1.00 0.94 0.20 0.00 0.00 0.00 175.76 176.19 1h94 s GLY 354 N -2.42 2.30 0.00 0.00 0.00 -1.26 -4.97 107.32 100.98 1h94 s GLY 354 Ca 0.67 0.32 0.26 0.00 0.00 0.00 0.00 44.72 45.97 1h94 s GLY 354 CO 0.36 0.59 1.45 -1.30 0.00 0.00 0.00 173.10 174.21 1h94 n THR 355 N -0.86 0.00 -2.38 0.90 -2.24 -1.26 -4.83 114.28 103.62 1h94 n THR 355 Ca 0.07 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1h94 n THR 355 Cb 0.54 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 1h94 n THR 355 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1h94 s PHE 356 N -2.32 2.93 -0.07 4.78 2.19 -1.26 -5.02 117.98 119.21 1h94 s PHE 356 Ca 0.27 1.00 -0.12 0.00 0.33 0.00 0.00 56.93 58.41 1h94 s PHE 356 Cb 0.19 -3.53 -0.05 0.00 -1.31 0.00 0.00 43.02 38.33 1h94 s PHE 356 CO 0.46 -1.82 0.29 -0.80 1.83 0.00 0.00 175.22 175.19 1h94 s ASN 357 N 1.85 6.59 0.00 6.13 0.01 -1.26 -4.73 114.94 123.53 1h94 s ASN 357 Ca 0.58 0.71 0.17 0.00 -0.71 0.00 0.00 52.86 53.60 1h94 s ASN 357 Cb -0.25 -2.17 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 1h94 s ASN 357 CO 0.21 0.32 0.85 0.49 -1.51 0.00 0.00 177.10 177.46 1h94 n PHE 358 N 2.16 0.00 -0.95 2.20 3.72 -1.26 -4.95 117.46 118.38 1h94 n PHE 358 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1h94 n PHE 358 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1h94 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h94 n GLY 359 N 1.19 0.45 3.79 1.37 0.00 -1.26 -4.99 105.19 105.74 1h94 n GLY 359 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1h94 n GLY 359 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h94 s SER 360 N -2.22 4.02 0.05 1.61 1.04 -1.26 -5.00 113.70 111.94 1h94 s SER 360 Ca 0.00 1.16 -0.29 0.00 0.48 0.00 0.00 55.95 57.30 1h94 s SER 360 Cb 0.00 -1.82 -0.18 0.00 0.10 0.00 0.00 66.02 64.12 1h94 s SER 360 CO 0.00 -2.25 1.50 -0.08 0.98 0.00 0.00 173.24 173.39 1h94 h GLU 361 N -1.29 -0.65 -4.62 4.02 4.81 -1.94 -3.38 114.58 111.53 1h94 h GLU 361 Ca -0.49 0.04 -0.70 0.00 -0.13 0.00 0.00 59.36 58.09 1h94 h GLU 361 Cb 1.30 0.15 -0.24 0.00 0.63 0.00 0.00 28.75 30.58 1h94 h GLU 361 CO 0.60 -0.38 -0.53 -1.14 -0.73 0.00 0.00 179.01 176.84 1h94 s GLN 362 N -5.62 2.90 0.70 1.92 2.00 -1.26 -5.08 119.66 115.21 1h94 s GLN 362 Ca -0.16 -1.03 -0.10 0.00 -2.00 0.00 0.00 55.36 52.07 1h94 s GLN 362 Cb 0.03 -3.69 0.03 0.00 0.80 0.00 0.00 33.01 30.18 1h94 s GLN 362 CO 0.59 -0.65 1.06 -1.21 -0.50 0.00 0.00 175.29 174.58 1h94 s GLU 363 N 1.56 2.64 0.25 1.67 0.41 -1.26 -3.55 118.70 120.41 1h94 s GLU 363 Ca 0.02 0.22 -0.29 0.00 -0.41 0.00 0.00 54.97 54.51 1h94 s GLU 363 Cb -0.19 -2.08 -0.15 0.00 -1.78 0.00 0.00 34.13 29.94 1h94 s GLU 363 CO 0.06 -1.09 0.99 0.00 -0.49 0.00 0.00 175.26 174.73 1h94 n ALA 364 N -2.96 -0.72 -3.57 5.21 0.00 -1.26 -4.96 120.51 112.24 1h94 n ALA 364 Ca 0.07 0.42 -0.06 0.00 0.00 0.00 0.00 53.44 53.86 1h94 n ALA 364 Cb 0.58 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1h94 n ALA 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1h94 n GLN 365 N 1.03 1.30 -2.97 0.00 6.02 -1.26 -4.63 117.38 116.88 1h94 n GLN 365 Ca 0.12 -0.76 -0.40 0.00 -0.01 0.00 0.00 57.00 55.95 1h94 n GLN 365 Cb 0.29 0.08 -0.04 0.00 1.02 0.00 0.00 30.24 31.58 1h94 n GLN 365 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1h94 s GLU 366 N -2.50 4.48 0.65 -1.09 8.01 -1.26 -4.44 118.70 122.54 1h94 s GLU 366 Ca 0.07 1.04 -0.11 0.00 0.01 0.00 0.00 54.97 55.97 1h94 s GLU 366 Cb -0.01 -3.42 -0.02 0.00 -4.31 0.00 0.00 34.13 26.37 1h94 s GLU 366 CO 0.04 0.12 1.05 0.00 0.01 0.00 0.00 175.26 176.49 1h94 s ALA 367 N 0.53 3.01 -0.09 5.21 0.00 -1.25 -4.88 121.76 124.29 1h94 s ALA 367 Ca 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 1h94 s ALA 367 Cb -0.19 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 19.90 1h94 s ALA 367 CO 0.21 -0.85 0.20 0.08 0.00 0.00 0.00 175.76 175.40 1h94 s VAL 368 N -3.22 -0.12 -0.38 0.00 1.01 -0.83 -1.35 120.40 115.51 1h94 s VAL 368 Ca 0.56 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.66 1h94 s VAL 368 Cb -0.11 -0.32 0.05 0.00 0.00 0.00 0.00 36.38 35.99 1h94 s VAL 368 CO 0.54 0.09 0.19 -0.22 0.00 0.00 0.00 175.10 175.69 1h94 s LEU 369 N 1.53 4.71 -0.21 3.92 2.96 0.00 -0.80 118.68 130.80 1h94 s LEU 369 Ca -0.06 -1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 52.58 1h94 s LEU 369 Cb -0.11 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1h94 s LEU 369 CO -0.07 -0.41 0.07 -0.44 -1.32 0.00 0.00 176.35 174.18 1h94 s SER 370 N 1.66 5.52 -0.27 3.68 0.01 -0.11 -0.93 113.70 123.25 1h94 s SER 370 Ca 0.01 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 1h94 s SER 370 Cb -0.20 -1.96 0.04 0.00 0.21 0.00 0.00 66.02 64.10 1h94 s SER 370 CO 0.04 0.10 -0.03 -0.63 0.41 0.00 0.00 173.24 173.13 1h94 s ILE 371 N 0.82 2.97 -0.28 1.44 1.01 -0.02 -1.15 121.20 125.99 1h94 s ILE 371 Ca 0.04 -1.17 -0.13 0.00 0.00 0.00 0.00 60.65 59.39 1h94 s ILE 371 Cb -0.13 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 1h94 s ILE 371 CO 0.02 0.06 0.30 -0.63 0.00 0.00 0.00 174.94 174.69 1h94 s ILE 372 N 1.30 5.23 -0.21 2.92 1.01 0.36 -1.09 121.20 130.72 1h94 s ILE 372 Ca -0.02 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.82 1h94 s ILE 372 Cb -0.18 -3.64 -0.15 0.00 0.01 0.00 0.00 42.46 38.50 1h94 s ILE 372 CO -0.03 0.18 0.03 -0.38 0.00 0.00 0.00 174.94 174.75 1h94 n ILE 373 N 5.10 1.51 -4.31 2.92 5.41 0.73 -1.74 119.36 128.99 1h94 n ILE 373 Ca -0.11 -0.04 -0.25 0.00 1.00 0.00 0.00 62.75 63.36 1h94 n ILE 373 Cb 0.51 -2.08 -0.13 0.00 -0.71 0.00 0.00 39.64 37.23 1h94 n ILE 373 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1h94 s ASP 374 N -6.75 2.65 0.28 4.38 1.01 -0.95 -3.77 116.67 113.53 1h94 s ASP 374 Ca -0.28 -0.69 0.13 0.00 0.71 0.00 0.00 52.55 52.41 1h94 s ASP 374 Cb 0.07 -0.15 0.36 0.00 1.01 0.00 0.00 42.92 44.21 1h94 s ASP 374 CO 0.51 0.08 1.60 -0.65 0.21 0.00 0.00 175.17 176.91 1h94 h PRO 375 N 4.06 0.00 -3.96 8.23 0.11 -1.89 -2.31 132.00 136.23 1h94 h PRO 375 Ca -0.47 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 1h94 h PRO 375 Cb 1.18 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.00 1h94 h PRO 375 CO 0.39 0.59 -0.74 -1.59 -0.21 0.00 0.00 178.00 176.45 1h94 s LYS 376 N -3.46 0.20 0.23 1.05 -2.85 -1.26 -5.13 119.74 108.52 1h94 s LYS 376 Ca -0.00 -0.07 -0.31 0.00 -1.00 0.00 0.00 55.97 54.59 1h94 s LYS 376 Cb 0.12 -0.22 -0.12 0.00 -2.06 0.00 0.00 37.83 35.55 1h94 s LYS 376 CO 0.75 0.03 1.68 0.20 0.10 0.00 0.00 175.35 178.11 1h94 s GLY 377 N 0.06 1.46 0.04 0.59 0.00 -1.25 -4.57 107.32 103.65 1h94 s GLY 377 Ca -0.00 1.58 -0.18 0.00 0.00 0.00 0.00 44.72 46.11 1h94 s GLY 377 CO -0.00 2.78 0.41 0.00 0.00 0.00 0.00 173.10 176.29 1h94 s ALA 378 N 0.87 -1.01 -0.09 3.20 0.00 -0.71 -1.69 121.76 122.33 1h94 s ALA 378 Ca 0.72 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1h94 s ALA 378 Cb -0.49 0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1h94 s ALA 378 CO 0.36 -0.44 0.03 0.42 0.00 0.00 0.00 175.76 176.13 1h94 s ILE 379 N -2.35 0.23 0.01 0.00 1.01 -0.91 -0.48 121.20 118.71 1h94 s ILE 379 Ca -0.06 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.72 1h94 s ILE 379 Cb -0.01 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1h94 s ILE 379 CO -0.01 0.11 -0.17 -1.61 0.00 0.00 0.00 174.94 173.26 1h94 s GLU 380 N 2.02 2.21 -0.21 2.79 2.02 -0.30 -1.78 118.70 125.45 1h94 s GLU 380 Ca 0.04 -0.89 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 1h94 s GLU 380 Cb -0.13 -2.25 0.07 0.00 0.10 0.00 0.00 34.13 31.92 1h94 s GLU 380 CO -0.06 0.56 0.05 -1.17 0.02 0.00 0.00 175.26 174.67 1h94 s LEU 381 N -1.24 1.23 -0.13 1.80 2.96 -0.50 -0.94 118.68 121.86 1h94 s LEU 381 Ca 0.14 -0.93 -0.24 0.00 -0.22 0.00 0.00 54.13 52.88 1h94 s LEU 381 Cb -0.11 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 1h94 s LEU 381 CO 0.04 -0.33 0.75 -0.75 -1.32 0.00 0.00 176.35 174.75 1h94 s LYS 382 N 1.86 4.35 0.17 1.98 2.20 0.02 -1.16 119.74 129.15 1h94 s LYS 382 Ca 0.01 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 56.57 1h94 s LYS 382 Cb -0.17 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 1h94 s LYS 382 CO -0.11 -0.15 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.15 1h94 s LEU 383 N 1.53 2.42 0.10 5.43 1.43 -0.00 -1.96 118.68 127.62 1h94 s LEU 383 Ca 0.37 -1.08 -0.20 0.00 -1.03 0.00 0.00 54.13 52.19 1h94 s LEU 383 Cb -0.17 -0.31 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 1h94 s LEU 383 CO 0.15 -0.39 0.61 0.20 0.23 0.00 0.00 176.35 177.15 1h94 s ASN 384 N -3.21 7.10 0.00 2.29 0.01 -1.26 -0.90 114.94 118.97 1h94 s ASN 384 Ca 0.20 1.32 0.00 0.00 -0.71 0.00 0.00 52.86 53.67 1h94 s ASN 384 Cb 0.04 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1h94 s ASN 384 CO 0.03 0.24 0.00 0.00 -1.51 0.00 0.00 177.10 175.86 1h94 n ALA 385 N 1.57 0.00 -2.80 0.60 0.00 -0.48 -4.93 120.51 114.47 1h94 n ALA 385 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 1h94 n ALA 385 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1h94 n ALA 385 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1h94 s LYS 386 N -1.02 3.79 0.65 0.00 2.20 -1.26 -1.81 119.74 122.30 1h94 s LYS 386 Ca 0.00 -0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.38 1h94 s LYS 386 Cb 0.00 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 1h94 s LYS 386 CO 0.00 0.56 1.05 -1.54 -0.36 0.00 0.00 175.35 175.06 1h94 s SER 387 N -0.42 5.88 -1.21 1.43 1.04 0.37 -4.78 113.70 116.01 1h94 s SER 387 Ca 0.13 1.40 -0.08 0.00 0.48 0.00 0.00 55.95 57.89 1h94 s SER 387 Cb -0.12 -2.37 0.21 0.00 0.10 0.00 0.00 66.02 63.84 1h94 s SER 387 CO 0.02 -1.09 1.72 0.52 0.98 0.00 0.00 173.24 175.39 1h94 n VAL 388 N -2.89 4.66 -4.49 5.02 0.31 -1.26 -4.76 118.33 114.92 1h94 n VAL 388 Ca 0.06 -4.92 -0.23 0.00 -0.01 0.00 0.00 64.34 59.25 1h94 n VAL 388 Cb 0.54 -2.28 -0.10 0.00 -0.91 0.00 0.00 33.84 31.09 1h94 n VAL 388 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1h94 s GLU 389 N -0.59 1.75 0.04 5.55 2.02 -1.26 -5.07 118.70 121.14 1h94 s GLU 389 Ca 0.37 -2.00 -0.17 0.00 0.02 0.00 0.00 54.97 53.19 1h94 s GLU 389 Cb 0.07 -0.95 -0.20 0.00 0.10 0.00 0.00 34.13 33.16 1h94 s GLU 389 CO 0.03 -0.22 1.20 -0.44 0.02 0.00 0.00 175.26 175.85 1h94 h ASP 390 N 1.99 0.67 -3.55 -0.19 3.32 -2.02 -3.44 116.42 113.20 1h94 h ASP 390 Ca -0.41 -0.69 -0.52 0.00 0.02 0.00 0.00 57.03 55.44 1h94 h ASP 390 Cb 1.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1h94 h ASP 390 CO 0.69 1.26 0.04 0.00 -1.72 0.00 0.00 179.24 179.51 1h94 s ALA 391 N -3.51 3.44 0.14 3.45 0.00 -1.26 -5.01 121.76 119.00 1h94 s ALA 391 Ca -0.12 0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 1h94 s ALA 391 Cb 0.06 -2.70 -0.10 0.00 0.00 0.00 0.00 23.12 20.38 1h94 s ALA 391 CO 0.85 0.38 1.65 0.12 0.00 0.00 0.00 175.76 178.76 1h94 s PHE 392 N -1.69 2.72 -0.04 0.00 5.36 -1.26 -4.97 117.98 118.09 1h94 s PHE 392 Ca 0.46 0.40 -0.27 0.00 -0.96 0.00 0.00 56.93 56.57 1h94 s PHE 392 Cb -0.14 -4.00 0.06 0.00 -0.34 0.00 0.00 43.02 38.60 1h94 s PHE 392 CO 0.19 -3.88 0.58 1.21 -1.46 0.00 0.00 175.22 171.86 1h94 s ASN 393 N 1.75 -0.54 0.28 6.13 2.47 -1.26 -4.48 114.94 119.30 1h94 s ASN 393 Ca 0.73 0.56 0.05 0.00 0.42 0.00 0.00 52.86 54.62 1h94 s ASN 393 Cb -0.44 0.49 -0.02 0.00 -1.45 0.00 0.00 41.25 39.83 1h94 s ASN 393 CO 0.32 -0.56 0.41 0.42 -3.72 0.00 0.00 177.10 173.97 1h94 s THR 394 N -1.21 4.79 0.30 -5.21 -4.23 -1.23 -0.48 115.64 108.37 1h94 s THR 394 Ca -0.12 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 1h94 s THR 394 Cb -0.01 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1h94 s THR 394 CO 0.08 -0.27 0.47 -2.11 -0.54 0.00 0.00 174.62 172.26 1h94 n ARG 395 N -1.51 0.68 -4.66 3.99 1.85 -0.75 -4.62 116.66 111.64 1h94 n ARG 395 Ca -0.05 -2.23 -0.26 0.00 -1.00 0.00 0.00 57.85 54.30 1h94 n ARG 395 Cb 0.57 2.28 -0.14 0.00 -1.05 0.00 0.00 32.46 34.13 1h94 n ARG 395 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1h94 s THR 396 N -2.63 1.78 0.13 8.89 -4.23 -1.26 -1.39 115.64 116.93 1h94 s THR 396 Ca 0.22 -1.28 0.05 0.00 -1.18 0.00 0.00 61.69 59.50 1h94 s THR 396 Cb -0.02 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 1h94 s THR 396 CO 0.16 0.21 -0.12 0.27 -0.54 0.00 0.00 174.62 174.60 1h94 s ILE 397 N -0.84 1.20 -0.20 2.99 -4.36 -0.08 -4.95 121.20 114.96 1h94 s ILE 397 Ca 0.08 -1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1h94 s ILE 397 Cb -0.09 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 42.00 1h94 s ILE 397 CO 0.02 -0.58 -0.14 -1.81 0.24 0.00 0.00 174.94 172.67 1h94 s ASP 398 N -2.76 3.58 0.01 4.36 1.01 -1.26 -0.82 116.67 120.79 1h94 s ASP 398 Ca 0.12 -0.56 -0.22 0.00 0.71 0.00 0.00 52.55 52.60 1h94 s ASP 398 Cb -0.01 -1.58 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 1h94 s ASP 398 CO 0.02 -0.01 0.65 -0.76 0.21 0.00 0.00 175.17 175.27 1h94 s LEU 399 N 1.36 4.43 0.08 1.23 1.43 -0.31 -4.90 118.68 121.99 1h94 s LEU 399 Ca 0.05 1.25 0.05 0.00 -1.03 0.00 0.00 54.13 54.45 1h94 s LEU 399 Cb -0.14 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1h94 s LEU 399 CO -0.09 0.08 -0.13 -0.83 0.23 0.00 0.00 176.35 175.60 1h94 s GLY 400 N -0.15 0.84 0.04 -3.19 0.00 -1.26 -1.42 107.32 102.18 1h94 s GLY 400 Ca 0.33 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1h94 s GLY 400 CO 0.19 -1.06 -0.04 0.86 0.00 0.00 0.00 173.10 173.05 1h94 s TRP 401 N -1.47 0.45 -0.00 1.90 -0.00 -0.73 -5.02 118.94 114.07 1h94 s TRP 401 Ca -0.01 -0.74 -0.12 0.00 -0.00 0.00 0.00 56.10 55.23 1h94 s TRP 401 Cb -0.09 -0.31 0.01 0.00 -0.00 0.00 0.00 33.47 33.08 1h94 s TRP 401 CO 0.02 -0.24 0.24 0.99 -0.00 0.00 0.00 176.95 177.96 1h94 s THR 402 N -2.48 0.07 0.26 5.86 2.01 -1.26 -2.14 115.64 117.96 1h94 s THR 402 Ca -0.05 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 1h94 s THR 402 Cb -0.03 -0.59 -0.10 0.00 0.01 0.00 0.00 72.50 71.80 1h94 s THR 402 CO -0.04 -0.33 1.33 0.68 -0.69 0.00 0.00 174.62 175.57 1h94 s VAL 403 N -1.50 2.93 0.67 3.82 -7.23 -0.68 -4.99 120.40 113.42 1h94 s VAL 403 Ca -0.13 0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 60.77 1h94 s VAL 403 Cb -0.06 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.36 1h94 s VAL 403 CO 0.02 0.16 1.05 -0.94 -0.31 0.00 0.00 175.10 175.08 1h94 s SER 404 N -0.01 5.59 0.26 4.85 1.04 -1.26 -4.86 113.70 119.32 1h94 s SER 404 Ca 0.54 1.10 -0.03 0.00 0.48 0.00 0.00 55.95 58.04 1h94 s SER 404 Cb -0.39 -1.97 0.39 0.00 0.10 0.00 0.00 66.02 64.15 1h94 s SER 404 CO 0.44 -1.22 1.89 0.44 0.98 0.00 0.00 173.24 175.78 1h94 h ASP 405 N -0.51 1.06 -0.64 7.02 3.32 -1.99 0.19 116.42 124.87 1h94 h ASP 405 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1h94 h ASP 405 Cb 1.24 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1h94 h ASP 405 CO 0.63 0.69 0.36 -0.08 -1.72 0.00 0.00 179.24 179.12 1h94 h GLU 406 N 1.21 0.89 0.09 3.56 4.22 -1.99 -1.65 114.58 120.91 1h94 h GLU 406 Ca 0.43 -0.10 -0.00 0.00 0.08 0.00 0.00 59.36 59.76 1h94 h GLU 406 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1h94 h GLU 406 CO -0.16 0.66 -0.04 -0.44 -2.18 0.00 0.00 179.01 176.85 1h94 h ASP 407 N 0.87 -0.10 -0.92 1.04 3.32 -1.59 -2.44 116.42 116.60 1h94 h ASP 407 Ca 0.23 -0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.26 1h94 h ASP 407 Cb 0.03 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 1h94 h ASP 407 CO -0.04 0.04 0.59 0.50 -1.72 0.00 0.00 179.24 178.62 1h94 h LYS 408 N -0.25 0.92 -0.01 3.56 3.64 -0.79 -1.00 116.57 122.65 1h94 h LYS 408 Ca -0.01 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1h94 h LYS 408 Cb 0.21 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1h94 h LYS 408 CO 0.02 0.61 -0.72 0.87 -2.27 0.00 0.00 179.45 177.96 1h94 h LYS 409 N 0.95 0.04 -0.00 1.90 1.57 -1.22 -3.12 116.57 116.69 1h94 h LYS 409 Ca 0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1h94 h LYS 409 Cb 0.35 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1h94 h LYS 409 CO -0.18 0.75 -0.31 0.09 -0.57 0.00 0.00 179.45 179.22 1h94 n ASN 410 N -3.70 0.56 -4.65 0.86 3.02 -0.79 -4.90 115.26 105.66 1h94 n ASN 410 Ca -0.01 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 1h94 n ASN 410 Cb 0.70 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 1h94 n ASN 410 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1h94 s THR 411 N -2.80 3.37 -0.14 3.41 2.01 -0.45 -4.95 115.64 116.10 1h94 s THR 411 Ca 0.17 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 1h94 s THR 411 Cb 0.19 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1h94 s THR 411 CO 0.60 -0.08 1.42 -2.84 -0.69 0.00 0.00 174.62 173.03 1h94 s PRO 412 N 4.48 4.17 0.28 4.92 0.02 -1.26 -4.99 135.00 142.62 1h94 s PRO 412 Ca 0.80 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 63.35 1h94 s PRO 412 Cb -0.35 -3.86 -0.14 0.00 0.02 0.00 0.00 34.50 30.17 1h94 s PRO 412 CO 0.34 -0.82 1.16 -0.85 -0.33 0.00 0.00 177.00 176.50 1h94 n GLU 413 N 6.90 1.64 -0.33 5.54 0.00 -1.26 -4.71 120.64 128.42 1h94 n GLU 413 Ca 0.15 0.58 0.05 0.00 0.00 0.00 0.00 57.16 57.95 1h94 n GLU 413 Cb 0.44 -2.06 0.13 0.00 0.00 0.00 0.00 31.44 29.95 1h94 n GLU 413 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1h94 n PRO 414 N 1.00 -0.09 -0.23 3.44 -0.02 -1.26 -0.70 135.00 137.13 1h94 n PRO 414 Ca 0.09 1.44 -0.07 0.00 -2.02 0.00 0.00 63.50 62.94 1h94 n PRO 414 Cb 0.32 -2.15 0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1h94 n PRO 414 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1h94 h TYR 415 N 0.00 0.93 -0.82 6.00 0.05 -1.91 -0.13 116.97 121.08 1h94 h TYR 415 Ca 0.44 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 59.23 1h94 h TYR 415 Cb 0.67 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 38.06 1h94 h TYR 415 CO -0.71 0.69 0.51 1.49 -1.05 0.00 0.00 178.16 179.09 1h94 h GLU 416 N 0.89 0.92 0.41 4.88 4.81 -1.24 -0.58 114.58 124.68 1h94 h GLU 416 Ca 0.22 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1h94 h GLU 416 Cb 0.11 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1h94 h GLU 416 CO -0.03 0.61 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.58 1h94 h ARG 417 N 0.95 -0.53 -0.74 1.92 9.65 -0.69 -0.66 114.38 124.28 1h94 h ARG 417 Ca 0.35 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.34 1h94 h ARG 417 Cb 0.12 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 1h94 h ARG 417 CO -0.16 -0.27 0.42 0.52 2.80 0.00 0.00 179.97 183.28 1h94 h MET 418 N -0.69 0.72 -0.61 0.20 2.86 -0.71 0.14 114.93 116.83 1h94 h MET 418 Ca -0.06 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1h94 h MET 418 Cb 0.49 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1h94 h MET 418 CO 0.09 0.47 0.11 0.82 1.06 0.00 0.00 176.91 179.47 1h94 h ILE 419 N 0.74 1.26 -0.58 -1.22 2.04 -1.07 -2.14 117.51 116.53 1h94 h ILE 419 Ca 0.34 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 1h94 h ILE 419 Cb 0.26 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1h94 h ILE 419 CO -0.21 0.36 0.03 -0.74 0.00 0.00 0.00 178.15 177.59 1h94 h HIS 420 N 0.91 1.09 -0.66 1.37 2.76 0.26 -2.18 115.15 118.71 1h94 h HIS 420 Ca 0.19 -0.18 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1h94 h HIS 420 Cb 0.41 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1h94 h HIS 420 CO 0.03 0.97 0.21 -0.44 -1.30 0.00 0.00 177.93 177.39 1h94 h ASP 421 N 0.90 0.97 -0.72 3.26 3.32 -0.63 -2.27 116.42 121.24 1h94 h ASP 421 Ca 0.17 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1h94 h ASP 421 Cb 0.51 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1h94 h ASP 421 CO 0.02 0.92 0.30 0.74 -1.72 0.00 0.00 179.24 179.50 1h94 h THR 422 N 0.96 1.25 -0.02 0.35 2.02 -1.16 0.72 112.91 117.02 1h94 h THR 422 Ca 0.21 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1h94 h THR 422 Cb 0.30 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1h94 h THR 422 CO -0.01 0.31 -0.16 0.24 0.37 0.00 0.00 175.52 176.28 1h94 h MET 423 N 1.04 0.04 0.00 6.66 2.86 -1.10 -1.31 114.93 123.11 1h94 h MET 423 Ca 0.24 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1h94 h MET 423 Cb 0.20 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1h94 h MET 423 CO -0.02 0.20 -0.81 -0.91 1.06 0.00 0.00 176.91 176.42 1h94 h ASN 424 N 0.03 0.00 -1.81 1.22 2.35 -0.72 -3.49 115.58 113.16 1h94 h ASN 424 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1h94 h ASN 424 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1h94 h ASN 424 CO 0.02 0.52 0.00 0.61 -1.65 0.00 0.00 177.43 176.93 1h94 n GLY 425 N 1.28 0.45 3.03 2.83 0.00 0.24 -5.05 105.19 107.97 1h94 n GLY 425 Ca -0.02 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1h94 n GLY 425 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h94 s ASP 426 N -2.82 4.66 0.00 1.61 2.15 -0.48 -4.97 116.67 116.82 1h94 s ASP 426 Ca 0.00 -1.91 0.10 0.00 0.43 0.00 0.00 52.55 51.17 1h94 s ASP 426 Cb 0.00 -1.60 0.61 0.00 -0.30 0.00 0.00 42.92 41.64 1h94 s ASP 426 CO 0.00 -0.32 1.40 0.61 -0.17 0.00 0.00 175.17 176.69 1h94 n GLY 427 N 4.31 -0.99 0.32 2.66 0.00 -1.26 -4.12 105.19 106.10 1h94 n GLY 427 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1h94 n GLY 427 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1h94 h SER 428 N 0.01 0.65 -0.53 1.61 0.02 -1.93 -1.75 113.55 111.62 1h94 h SER 428 Ca 0.00 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1h94 h SER 428 Cb 0.00 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1h94 h SER 428 CO 0.00 0.30 0.04 0.59 -1.14 0.00 0.00 176.83 176.63 1h94 n ASN 429 N -4.79 5.02 -4.25 3.07 3.02 -1.26 -4.92 115.26 111.15 1h94 n ASN 429 Ca 0.17 -2.86 -0.23 0.00 -0.03 0.00 0.00 54.58 51.64 1h94 n ASN 429 Cb 0.40 -0.67 -0.13 0.00 -0.61 0.00 0.00 39.78 38.77 1h94 n ASN 429 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h94 s PHE 430 N -2.56 1.65 0.17 3.10 0.40 -0.66 -4.68 117.98 115.39 1h94 s PHE 430 Ca 0.48 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 56.10 1h94 s PHE 430 Cb 0.37 -0.93 -0.07 0.00 0.51 0.00 0.00 43.02 42.90 1h94 s PHE 430 CO 0.13 0.14 1.00 0.00 0.70 0.00 0.00 175.22 177.20 1h94 s ALA 431 N -1.08 3.31 0.37 5.36 0.00 -1.26 -4.99 121.76 123.47 1h94 s ALA 431 Ca 0.05 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1h94 s ALA 431 Cb -0.10 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1h94 s ALA 431 CO 0.03 -0.03 0.56 0.16 0.00 0.00 0.00 175.76 176.48 1h94 s ASP 432 N -0.37 6.00 0.20 0.00 -4.77 -1.26 -4.62 116.67 111.85 1h94 s ASP 432 Ca 0.46 0.14 -0.14 0.00 -3.30 0.00 0.00 52.55 49.71 1h94 s ASP 432 Cb -0.26 -1.56 0.21 0.00 -1.09 0.00 0.00 42.92 40.22 1h94 s ASP 432 CO 0.32 -0.48 1.63 -0.25 0.70 0.00 0.00 175.17 177.09 1h94 h TRP 433 N 0.69 -0.32 -0.94 2.11 2.91 -1.97 0.71 115.95 119.14 1h94 h TRP 433 Ca -0.47 0.05 0.12 0.00 1.13 0.00 0.00 58.89 59.72 1h94 h TRP 433 Cb 1.25 0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 30.05 1h94 h TRP 433 CO 0.45 -0.26 0.57 -0.97 -1.03 0.00 0.00 178.44 177.21 1h94 h ASN 434 N -0.00 0.82 -0.20 2.65 -0.00 -1.99 0.23 115.58 117.08 1h94 h ASN 434 Ca 0.28 0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 56.59 1h94 h ASN 434 Cb 0.44 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1h94 h ASN 434 CO -0.61 0.44 -0.03 1.23 -0.00 0.00 0.00 177.43 178.45 1h94 h GLY 435 N 0.91 0.41 0.95 1.57 0.00 -1.30 -3.03 103.07 102.58 1h94 h GLY 435 Ca 0.47 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1h94 h GLY 435 CO -0.27 0.30 0.11 -2.08 0.00 0.00 0.00 176.54 174.60 1h94 h VAL 436 N 0.12 1.23 -0.29 4.60 2.07 -0.11 -2.33 116.25 121.53 1h94 h VAL 436 Ca 0.05 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1h94 h VAL 436 Cb 0.46 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1h94 h VAL 436 CO 0.02 0.28 -0.05 0.77 0.02 0.00 0.00 177.57 178.61 1h94 h SER 437 N 0.56 -0.21 -0.70 0.57 4.64 -0.63 -0.22 113.55 117.56 1h94 h SER 437 Ca 0.14 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1h94 h SER 437 Cb 0.30 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1h94 h SER 437 CO -0.00 -0.07 0.32 0.40 -0.87 0.00 0.00 176.83 176.61 1h94 h ILE 438 N 0.03 1.24 -0.60 0.95 1.08 -1.48 -0.16 117.51 118.57 1h94 h ILE 438 Ca 0.14 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1h94 h ILE 438 Cb 0.20 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 1h94 h ILE 438 CO -0.28 0.28 0.37 0.00 -0.69 0.00 0.00 178.15 177.84 1h94 h ALA 439 N 1.15 0.77 -0.08 1.87 0.00 -0.81 0.19 119.26 122.35 1h94 h ALA 439 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1h94 h ALA 439 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h94 h ALA 439 CO -0.03 0.11 0.02 -1.49 0.00 0.00 0.00 179.25 177.87 1h94 h TRP 440 N 0.73 0.13 -0.89 0.00 -0.00 -0.68 -0.59 115.95 114.64 1h94 h TRP 440 Ca 0.24 -0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.22 1h94 h TRP 440 Cb 0.01 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 29.07 1h94 h TRP 440 CO -0.05 0.29 0.58 0.87 -0.00 0.00 0.00 178.44 180.12 1h94 h LYS 441 N -0.07 0.82 -0.01 0.49 1.57 -0.54 0.34 116.57 119.17 1h94 h LYS 441 Ca 0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1h94 h LYS 441 Cb 0.22 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1h94 h LYS 441 CO -0.00 0.54 -0.00 0.35 -0.57 0.00 0.00 179.45 179.77 1h94 h PHE 442 N 0.85 0.02 -0.42 -1.35 3.57 -0.34 -3.20 116.94 116.07 1h94 h PHE 442 Ca 0.42 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.83 1h94 h PHE 442 Cb 0.48 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1h94 h PHE 442 CO -0.00 0.44 -0.09 0.28 -2.23 0.00 0.00 178.31 176.71 1h94 h VAL 443 N -0.42 1.25 -0.90 1.41 2.07 -0.28 -3.19 116.25 116.19 1h94 h VAL 443 Ca 0.00 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.47 1h94 h VAL 443 Cb 0.44 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1h94 h VAL 443 CO 0.00 0.38 0.57 0.44 0.02 0.00 0.00 177.57 178.98 1h94 h ASP 444 N 0.67 0.90 0.07 0.57 3.32 -0.39 -0.37 116.42 121.18 1h94 h ASP 444 Ca 0.12 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1h94 h ASP 444 Cb 0.55 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1h94 h ASP 444 CO 0.03 0.58 -0.08 0.00 -1.72 0.00 0.00 179.24 178.05 1h94 h ALA 445 N 1.41 1.82 0.01 3.45 0.00 -1.54 -0.38 119.26 124.02 1h94 h ALA 445 Ca 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1h94 h ALA 445 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h94 h ALA 445 CO -0.17 0.14 -0.00 0.82 0.00 0.00 0.00 179.25 180.04 1h94 h ILE 446 N 0.04 1.58 -0.91 0.00 2.04 -1.23 -3.30 117.51 115.73 1h94 h ILE 446 Ca 0.01 -1.98 0.12 0.00 1.00 0.00 0.00 64.86 64.01 1h94 h ILE 446 Cb 0.17 2.89 -0.07 0.00 -0.74 0.00 0.00 36.82 39.06 1h94 h ILE 446 CO 0.01 0.50 0.58 0.28 0.00 0.00 0.00 178.15 179.52 1h94 h SER 447 N -0.89 0.76 -0.93 1.72 0.02 -0.84 -1.03 113.55 112.36 1h94 h SER 447 Ca -0.00 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1h94 h SER 447 Cb 0.82 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.17 1h94 h SER 447 CO 0.00 0.42 0.57 0.00 -1.14 0.00 0.00 176.83 176.68 1h94 h ALA 448 N 1.57 1.36 0.00 3.77 0.00 -1.16 0.29 119.26 125.09 1h94 h ALA 448 Ca 0.44 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.22 1h94 h ALA 448 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1h94 h ALA 448 CO -0.20 0.20 -0.70 0.28 0.00 0.00 0.00 179.25 178.83 1h94 h VAL 449 N 0.93 1.50 0.01 0.00 2.07 -1.29 -2.59 116.25 116.89 1h94 h VAL 449 Ca 0.45 -2.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.54 1h94 h VAL 449 Cb 0.40 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1h94 h VAL 449 CO -0.25 0.69 -0.10 1.88 0.02 0.00 0.00 177.57 179.81 1h94 h TYR 450 N 0.00 0.09 0.00 1.57 0.05 -0.45 0.14 116.97 118.36 1h94 h TYR 450 Ca -0.01 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 1h94 h TYR 450 Cb 1.24 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 1h94 h TYR 450 CO 0.00 0.92 -0.09 1.79 -1.05 0.00 0.00 178.16 179.73 1h94 h THR 451 N -0.77 0.90 -0.00 -2.88 1.35 -0.60 0.21 112.91 111.12 1h94 h THR 451 Ca -0.02 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1h94 h THR 451 Cb 0.96 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1h94 h THR 451 CO 0.02 0.09 -0.22 0.00 -0.25 0.00 0.00 175.52 175.16 1h94 n ALA 452 N -2.45 2.88 -3.15 6.62 0.00 -0.98 -4.94 120.51 118.50 1h94 n ALA 452 Ca -0.03 -0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.01 1h94 n ALA 452 Cb 0.17 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.36 1h94 n ALA 452 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h94 n ASP 453 N -1.44 -5.28 -2.60 0.00 2.03 0.74 -4.94 116.55 105.07 1h94 n ASP 453 Ca 0.07 -0.34 -0.35 0.00 0.52 0.00 0.00 54.79 54.69 1h94 n ASP 453 Cb 0.33 -3.98 0.05 0.00 -0.72 0.00 0.00 41.12 36.80 1h94 n ASP 453 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1h94 n LYS 454 N -3.70 2.89 -3.58 -0.67 4.76 0.45 -4.87 118.16 113.43 1h94 n LYS 454 Ca -0.03 -3.63 -0.11 0.00 -2.87 0.00 0.00 58.31 51.67 1h94 n LYS 454 Cb 0.57 -2.27 -0.06 0.00 -1.84 0.00 0.00 35.03 31.42 1h94 n LYS 454 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h94 s ALA 455 N -3.89 -1.91 0.65 7.82 0.00 -1.26 -4.88 121.76 118.28 1h94 s ALA 455 Ca 0.55 1.63 -0.12 0.00 0.00 0.00 0.00 51.96 54.02 1h94 s ALA 455 Cb 0.45 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1h94 s ALA 455 CO -0.22 -0.30 1.05 -1.25 0.00 0.00 0.00 175.76 175.03 1h94 s PRO 456 N -0.78 3.21 -0.30 0.00 0.04 -1.26 -5.03 135.00 130.89 1h94 s PRO 456 Ca -0.02 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 61.92 1h94 s PRO 456 Cb -0.02 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1h94 s PRO 456 CO 0.01 -0.88 0.05 -1.17 0.04 0.00 0.00 177.00 175.05 1h94 s LEU 457 N -5.19 3.82 0.73 -3.56 2.96 -1.26 -4.64 118.68 111.53 1h94 s LEU 457 Ca 0.58 -0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 1h94 s LEU 457 Cb -0.13 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.76 1h94 s LEU 457 CO 0.50 -0.21 1.10 -1.61 -1.32 0.00 0.00 176.35 174.81 1h94 s GLU 458 N 1.43 2.57 0.16 1.98 0.41 -0.61 -4.92 118.70 119.72 1h94 s GLU 458 Ca 0.01 0.28 0.05 0.00 -0.41 0.00 0.00 54.97 54.90 1h94 s GLU 458 Cb -0.18 -2.03 -0.04 0.00 -1.78 0.00 0.00 34.13 30.10 1h94 s GLU 458 CO 0.01 -1.18 -0.11 -0.08 -0.49 0.00 0.00 175.26 173.41 1h94 s THR 459 N -3.38 1.32 -0.25 3.63 -1.32 -1.26 -0.70 115.64 113.68 1h94 s THR 459 Ca 0.59 -2.10 -0.23 0.00 -1.21 0.00 0.00 61.69 58.75 1h94 s THR 459 Cb -0.11 -1.89 0.07 0.00 -1.51 0.00 0.00 72.50 69.05 1h94 s THR 459 CO 0.50 -0.70 0.66 -0.72 -2.21 0.00 0.00 174.62 172.15 1h94 s TYR 460 N -3.21 -0.74 0.10 9.09 1.13 -1.03 -4.52 117.35 118.17 1h94 s TYR 460 Ca 0.18 1.79 -0.31 0.00 -1.41 0.00 0.00 57.07 57.32 1h94 s TYR 460 Cb 0.02 0.26 -0.08 0.00 -1.10 0.00 0.00 41.96 41.05 1h94 s TYR 460 CO 0.02 -0.36 1.54 0.21 -2.51 0.00 0.00 175.55 174.45 1h94 s LYS 461 N 0.41 4.24 0.33 -3.49 2.20 -1.26 -0.58 119.74 121.59 1h94 s LYS 461 Ca -0.00 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.56 1h94 s LYS 461 Cb -0.05 -3.37 -0.12 0.00 -1.51 0.00 0.00 37.83 32.78 1h94 s LYS 461 CO 0.00 -0.61 1.39 0.43 -0.36 0.00 0.00 175.35 176.20 1h94 n SER 462 N 4.68 3.13 0.00 1.43 7.64 -1.05 -2.20 113.62 127.25 1h94 n SER 462 Ca 0.14 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1h94 n SER 462 Cb 0.41 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1h94 n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h94 n GLY 463 N 1.02 0.51 0.00 0.23 0.00 0.46 -4.39 105.19 103.02 1h94 n GLY 463 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1h94 n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h94 n SER 464 N 0.00 0.00 -0.33 1.61 3.41 -0.93 -3.00 113.62 114.38 1h94 n SER 464 Ca 0.00 -0.11 0.03 0.00 -0.26 0.00 0.00 58.87 58.53 1h94 n SER 464 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1h94 n SER 464 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1h94 n MET 465 N -0.11 1.64 0.00 4.33 1.56 -1.26 0.91 117.12 124.19 1h94 n MET 465 Ca 0.00 -1.43 0.00 0.00 -0.27 0.00 0.00 57.70 56.00 1h94 n MET 465 Cb 0.00 -1.14 0.00 0.00 2.15 0.00 0.00 33.22 34.23 1h94 n MET 465 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1h94 n GLY 466 N 0.21 1.01 3.80 -5.12 0.00 -1.26 -4.96 105.19 98.87 1h94 n GLY 466 Ca 0.06 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1h94 n GLY 466 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h94 s PRO 467 N -1.04 2.71 0.48 1.61 0.04 -1.26 -4.91 135.00 132.64 1h94 s PRO 467 Ca 0.00 1.09 0.19 0.00 0.04 0.00 0.00 61.00 62.32 1h94 s PRO 467 Cb 0.00 -1.96 1.21 0.00 0.04 0.00 0.00 34.50 33.79 1h94 s PRO 467 CO 0.00 -1.29 1.99 0.93 0.04 0.00 0.00 177.00 178.68 1h94 h GLU 468 N -0.70 0.20 -0.19 4.56 5.08 -1.99 -0.58 114.58 120.96 1h94 h GLU 468 Ca -0.44 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1h94 h GLU 468 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1h94 h GLU 468 CO 0.55 0.13 0.20 0.00 -1.00 0.00 0.00 179.01 178.89 1h94 h ALA 469 N 1.73 1.82 -0.17 3.43 0.00 -1.97 -0.63 119.26 123.47 1h94 h ALA 469 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1h94 h ALA 469 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1h94 h ALA 469 CO -0.04 -0.30 0.02 1.03 0.00 0.00 0.00 179.25 179.96 1h94 h SER 470 N 0.00 0.28 0.09 0.00 0.87 -1.46 -1.50 113.55 111.83 1h94 h SER 470 Ca 0.09 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1h94 h SER 470 Cb 0.49 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1h94 h SER 470 CO -0.00 0.48 -0.04 0.44 -0.53 0.00 0.00 176.83 177.17 1h94 h ASP 471 N 0.07 -0.10 -0.16 6.23 3.32 -1.28 -2.70 116.42 121.80 1h94 h ASP 471 Ca 0.05 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.04 1h94 h ASP 471 Cb 0.32 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1h94 h ASP 471 CO 0.00 0.04 0.13 0.11 -1.72 0.00 0.00 179.24 177.80 1h94 h LYS 472 N -0.24 0.00 -0.38 3.56 6.56 -1.33 0.17 116.57 124.92 1h94 h LYS 472 Ca -0.01 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.49 1h94 h LYS 472 Cb 0.20 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 1h94 h LYS 472 CO 0.02 0.00 -0.14 1.25 -2.06 0.00 0.00 179.45 178.52 1h94 h LEU 473 N 0.00 0.67 0.15 2.94 5.85 -0.93 -2.62 115.31 121.37 1h94 h LEU 473 Ca 0.08 -0.20 -0.33 0.00 0.84 0.00 0.00 57.88 58.27 1h94 h LEU 473 Cb 0.33 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1h94 h LEU 473 CO -0.00 0.83 -1.63 -0.07 -0.34 0.00 0.00 178.44 177.23 1h94 h LEU 474 N 0.62 0.51 -1.51 2.25 4.07 -1.06 -3.33 115.31 116.85 1h94 h LEU 474 Ca 0.10 -0.72 0.17 0.00 0.08 0.00 0.00 57.88 57.51 1h94 h LEU 474 Cb 0.59 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.10 1h94 h LEU 474 CO 0.04 1.60 0.54 0.00 -1.08 0.00 0.00 178.44 179.55 1h94 h ALA 475 N 0.32 2.10 -0.85 1.53 0.00 -0.66 -0.87 119.26 120.84 1h94 h ALA 475 Ca -0.29 0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1h94 h ALA 475 Cb 2.06 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1h94 h ALA 475 CO 0.17 -0.34 0.56 0.00 0.00 0.00 0.00 179.25 179.64 1h94 h ALA 476 N 1.63 2.04 -0.67 0.00 0.00 -1.58 0.61 119.26 121.28 1h94 h ALA 476 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1h94 h ALA 476 Cb 0.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1h94 h ALA 476 CO -0.15 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 178.91 1h94 n ASN 477 N -4.52 4.17 -2.00 0.00 3.02 -0.54 -4.93 115.26 110.46 1h94 n ASN 477 Ca 0.17 -2.18 -0.09 0.00 -0.03 0.00 0.00 54.58 52.45 1h94 n ASN 477 Cb 0.56 -0.50 0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1h94 n ASN 477 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h94 n GLY 478 N 1.34 0.18 3.47 7.41 0.00 0.21 -5.04 105.19 112.75 1h94 n GLY 478 Ca 0.24 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1h94 n GLY 478 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h94 s ASP 479 N -3.36 2.50 -0.03 1.61 1.01 -0.44 -4.99 116.67 112.97 1h94 s ASP 479 Ca 0.15 -1.57 -0.29 0.00 0.71 0.00 0.00 52.55 51.55 1h94 s ASP 479 Cb -0.06 0.32 0.09 0.00 1.01 0.00 0.00 42.92 44.28 1h94 s ASP 479 CO 0.33 -0.83 0.80 0.00 0.21 0.00 0.00 175.17 175.68 1h94 s ALA 480 N -3.29 -1.79 0.22 5.23 0.00 -1.26 -3.13 121.76 117.73 1h94 s ALA 480 Ca 0.29 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 1h94 s ALA 480 Cb 0.05 0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 1h94 s ALA 480 CO 0.15 -0.50 1.30 -1.58 0.00 0.00 0.00 175.76 175.13 1h94 s TRP 481 N -2.06 3.25 -0.00 0.00 0.52 -1.26 -4.95 118.94 114.44 1h94 s TRP 481 Ca -0.03 1.27 -0.21 0.00 0.02 0.00 0.00 56.10 57.15 1h94 s TRP 481 Cb -0.01 -3.60 -0.21 0.00 -1.15 0.00 0.00 33.47 28.51 1h94 s TRP 481 CO -0.01 -1.81 1.14 0.28 0.02 0.00 0.00 176.95 176.57 1h94 h VAL 482 N 3.63 1.44 -3.34 4.03 2.07 -2.01 -3.44 116.25 118.62 1h94 h VAL 482 Ca -0.45 -1.87 -0.56 0.00 0.82 0.00 0.00 66.70 64.64 1h94 h VAL 482 Cb 1.22 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 33.41 1h94 h VAL 482 CO 0.75 0.54 -0.04 0.12 0.02 0.00 0.00 177.57 178.96 1h94 s PHE 483 N -3.44 3.67 -0.18 1.57 5.36 -1.26 -5.00 117.98 118.70 1h94 s PHE 483 Ca -0.14 1.18 0.12 0.00 -0.96 0.00 0.00 56.93 57.12 1h94 s PHE 483 Cb 0.03 -2.45 0.30 0.00 -0.34 0.00 0.00 43.02 40.56 1h94 s PHE 483 CO 0.79 0.46 1.27 0.36 -1.46 0.00 0.00 175.22 176.63 1h94 n LYS 484 N 1.04 0.84 -0.66 10.12 2.85 -1.26 -5.15 118.16 125.94 1h94 n LYS 484 Ca -0.06 -1.56 0.00 0.00 -1.05 0.00 0.00 58.31 55.64 1h94 n LYS 484 Cb 0.51 0.11 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 1h94 n LYS 484 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76