#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yr3 s PHE 6 N 0.00 3.27 0.47 3.69 0.40 -1.26 -5.08 117.98 119.47 1yr3 s PHE 6 Ca 0.00 0.16 -0.24 0.00 -0.60 0.00 0.00 56.93 56.24 1yr3 s PHE 6 Cb 0.00 -1.69 -0.07 0.00 0.51 0.00 0.00 43.02 41.76 1yr3 s PHE 6 CO 0.00 0.54 1.40 0.45 0.70 0.00 0.00 175.22 178.32 1yr3 s SER 7 N -2.09 5.75 -0.01 1.36 0.15 -1.26 -4.93 113.70 112.67 1yr3 s SER 7 Ca 0.27 2.87 0.03 0.00 0.70 0.00 0.00 55.95 59.81 1yr3 s SER 7 Cb -0.12 -2.65 0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1yr3 s SER 7 CO 0.19 -1.25 1.05 1.41 1.20 0.00 0.00 173.24 175.83 1yr3 n HIS 8 N -0.38 0.06 -0.16 3.44 8.25 -1.26 -4.77 115.22 120.40 1yr3 n HIS 8 Ca 0.06 -0.54 -0.02 0.00 -0.26 0.00 0.00 57.72 56.96 1yr3 n HIS 8 Cb 0.43 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.55 1yr3 n HIS 8 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1yr3 h ASN 9 N 0.25 0.01 -0.68 0.41 2.35 -1.91 -1.76 115.58 114.24 1yr3 h ASN 9 Ca 0.00 0.09 0.15 0.00 -0.55 0.00 0.00 56.30 55.99 1yr3 h ASN 9 Cb 0.58 0.12 -0.12 0.00 0.05 0.00 0.00 38.32 38.95 1yr3 h ASN 9 CO 0.00 0.03 -0.00 -0.65 -1.65 0.00 0.00 177.43 175.16 1yr3 h PRO 10 N 0.24 0.11 -0.11 0.81 0.11 -1.82 -0.51 132.00 130.83 1yr3 h PRO 10 Ca 0.25 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1yr3 h PRO 10 Cb 0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1yr3 h PRO 10 CO -0.33 0.07 0.07 -0.07 -0.21 0.00 0.00 178.00 177.53 1yr3 h LEU 11 N 0.11 0.14 -0.24 2.35 4.07 -1.71 -2.43 115.31 117.60 1yr3 h LEU 11 Ca 0.36 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.32 1yr3 h LEU 11 Cb 0.61 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.25 1yr3 h LEU 11 CO -0.59 0.16 -0.23 -0.26 -1.08 0.00 0.00 178.44 176.44 1yr3 h PHE 12 N 0.10 -0.60 -0.49 1.13 0.05 -0.71 -2.25 116.94 114.17 1yr3 h PHE 12 Ca 0.04 0.04 0.10 0.00 3.82 0.00 0.00 57.97 61.97 1yr3 h PHE 12 Cb 0.05 0.30 -0.09 0.00 2.00 0.00 0.00 35.95 38.21 1yr3 h PHE 12 CO -0.05 -0.31 -0.13 0.00 -0.18 0.00 0.00 178.31 177.65 1yr3 h ILE 14 N -0.01 0.51 -0.13 0.00 1.08 -0.91 0.65 117.51 118.71 1yr3 h ILE 14 Ca 0.23 -0.16 -0.11 0.00 -0.39 0.00 0.00 64.86 64.44 1yr3 h ILE 14 Cb 0.36 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1yr3 h ILE 14 CO -0.51 0.08 -0.34 0.44 -0.69 0.00 0.00 178.15 177.13 1yr3 h ASP 15 N 0.46 0.53 -0.89 1.72 3.32 -1.00 -2.57 116.42 117.99 1yr3 h ASP 15 Ca 0.57 -0.59 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1yr3 h ASP 15 Cb 1.06 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 1yr3 h ASP 15 CO -0.50 1.02 0.59 0.40 -1.72 0.00 0.00 179.24 179.03 1yr3 h ILE 16 N 0.06 1.20 -0.44 0.35 2.04 0.11 -2.15 117.51 118.68 1yr3 h ILE 16 Ca -0.01 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 65.31 1yr3 h ILE 16 Cb 0.96 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1yr3 h ILE 16 CO 0.07 0.21 -0.30 0.40 0.00 0.00 0.00 178.15 178.54 1yr3 h ILE 17 N 1.17 1.27 -0.71 -0.67 2.04 0.18 -2.77 117.51 118.03 1yr3 h ILE 17 Ca 0.34 -1.47 0.18 0.00 1.00 0.00 0.00 64.86 64.92 1yr3 h ILE 17 Cb -0.07 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1yr3 h ILE 17 CO -0.09 0.50 0.49 0.11 0.00 0.00 0.00 178.15 179.17 1yr3 h LYS 18 N 0.81 0.13 -0.07 2.37 1.57 -0.97 0.57 116.57 120.99 1yr3 h LYS 18 Ca 0.09 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1yr3 h LYS 18 Cb 0.88 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1yr3 h LYS 18 CO 0.08 0.09 -0.45 1.15 -0.57 0.00 0.00 179.45 179.75 1yr3 h THR 19 N 0.13 1.33 0.00 -0.16 2.02 -1.28 -2.85 112.91 112.10 1yr3 h THR 19 Ca 0.34 -1.60 -0.35 0.00 0.77 0.00 0.00 66.41 65.57 1yr3 h THR 19 Cb 1.16 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 69.28 1yr3 h THR 19 CO -0.05 0.47 -2.27 -1.22 0.37 0.00 0.00 175.52 172.82 1yr3 n TYR 20 N -3.99 0.17 -3.43 3.16 4.02 0.26 -4.71 117.16 112.64 1yr3 n TYR 20 Ca -0.02 0.06 -0.26 0.00 -0.01 0.00 0.00 57.90 57.67 1yr3 n TYR 20 Cb 0.50 -1.03 -0.09 0.00 -0.02 0.00 0.00 39.34 38.69 1yr3 n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1yr3 n LYS 21 N -2.80 0.94 -2.36 -0.72 3.00 0.17 -5.01 118.16 111.38 1yr3 n LYS 21 Ca -0.30 -3.62 -0.37 0.00 -0.00 0.00 0.00 58.31 54.02 1yr3 n LYS 21 Cb 1.14 -1.73 -0.02 0.00 0.00 0.00 0.00 35.03 34.42 1yr3 n LYS 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1yr3 s PRO 22 N -0.90 3.88 -1.27 1.64 0.04 -1.08 -3.94 135.00 133.37 1yr3 s PRO 22 Ca 0.33 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1yr3 s PRO 22 Cb 0.08 -2.42 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1yr3 s PRO 22 CO -0.14 -0.43 0.64 -0.25 0.04 0.00 0.00 177.00 176.86 1yr3 n ASP 23 N -0.40 -2.66 -3.78 6.66 8.00 -1.26 -4.99 116.55 118.12 1yr3 n ASP 23 Ca 0.07 -0.97 -0.20 0.00 0.71 0.00 0.00 54.79 54.39 1yr3 n ASP 23 Cb 0.49 -3.42 -0.17 0.00 -0.02 0.00 0.00 41.12 38.00 1yr3 n ASP 23 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1yr3 s PHE 24 N -3.69 0.48 -0.30 1.24 5.36 -1.25 -5.11 117.98 114.70 1yr3 s PHE 24 Ca 0.21 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.14 1yr3 s PHE 24 Cb -0.07 -0.63 0.09 0.00 -0.34 0.00 0.00 43.02 42.07 1yr3 s PHE 24 CO 0.86 -0.24 0.03 0.99 -1.46 0.00 0.00 175.22 175.40 1yr3 s THR 25 N 1.63 1.73 0.52 0.12 2.01 -1.26 -5.06 115.64 115.33 1yr3 s THR 25 Ca -0.01 -1.79 -0.20 0.00 0.31 0.00 0.00 61.69 60.00 1yr3 s THR 25 Cb -0.13 -2.19 -0.07 0.00 0.01 0.00 0.00 72.50 70.13 1yr3 s THR 25 CO -0.03 -0.47 1.11 -2.16 -0.69 0.00 0.00 174.62 172.38 1yr3 s PRO 26 N 1.22 3.52 -0.23 4.92 0.04 -1.26 -4.77 135.00 138.43 1yr3 s PRO 26 Ca 0.06 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1yr3 s PRO 26 Cb -0.19 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.13 1yr3 s PRO 26 CO -0.12 -0.71 -0.22 0.54 0.04 0.00 0.00 177.00 176.54 1yr3 n ARG 27 N -1.10 0.55 -4.99 4.56 1.74 -0.28 -2.83 116.66 114.32 1yr3 n ARG 27 Ca 0.10 0.15 -0.32 0.00 -0.77 0.00 0.00 57.85 57.01 1yr3 n ARG 27 Cb 0.51 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.37 1yr3 n ARG 27 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yr3 s VAL 28 N -2.45 2.70 -0.09 1.55 1.01 -1.21 0.56 120.40 122.46 1yr3 s VAL 28 Ca -0.31 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 1yr3 s VAL 28 Cb 0.09 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1yr3 s VAL 28 CO 0.50 0.56 -0.03 0.00 0.00 0.00 0.00 175.10 176.13 1yr3 s ALA 29 N -0.19 3.12 0.05 5.51 0.00 -0.33 -2.07 121.76 127.84 1yr3 s ALA 29 Ca -0.01 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.19 1yr3 s ALA 29 Cb -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 1yr3 s ALA 29 CO 0.03 0.53 -0.23 -0.06 0.00 0.00 0.00 175.76 176.04 1yr3 s PHE 30 N -0.69 2.00 -0.29 0.00 0.40 0.15 -0.29 117.98 119.26 1yr3 s PHE 30 Ca 0.11 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1yr3 s PHE 30 Cb -0.12 -1.19 0.07 0.00 0.51 0.00 0.00 43.02 42.30 1yr3 s PHE 30 CO 0.02 0.11 -0.05 0.42 0.70 0.00 0.00 175.22 176.43 1yr3 s ILE 31 N -0.82 2.36 -0.45 0.64 1.01 -1.09 0.10 121.20 122.96 1yr3 s ILE 31 Ca 0.09 -1.78 -0.17 0.00 0.00 0.00 0.00 60.65 58.79 1yr3 s ILE 31 Cb -0.09 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.95 1yr3 s ILE 31 CO 0.02 -0.20 0.43 -0.76 0.00 0.00 0.00 174.94 174.43 1yr3 s LEU 32 N 1.08 5.15 0.00 2.97 1.43 0.10 -2.64 118.68 126.77 1yr3 s LEU 32 Ca -0.03 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 1yr3 s LEU 32 Cb -0.20 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1yr3 s LEU 32 CO -0.05 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 176.51 1yr3 n GLY 33 N 5.16 -2.09 3.69 -3.19 0.00 -1.26 -1.05 105.19 106.46 1yr3 n GLY 33 Ca -0.09 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1yr3 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yr3 s SER 34 N -1.66 6.95 -1.11 1.61 0.01 -1.23 -3.68 113.70 114.60 1yr3 s SER 34 Ca 0.00 2.02 -0.06 0.00 1.31 0.00 0.00 55.95 59.22 1yr3 s SER 34 Cb 0.00 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.71 1yr3 s SER 34 CO 0.00 -0.63 0.30 0.61 0.41 0.00 0.00 173.24 173.93 1yr3 n GLY 35 N 3.47 -0.49 0.02 3.44 0.00 -1.19 -4.77 105.19 105.66 1yr3 n GLY 35 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1yr3 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yr3 n LEU 36 N -3.35 0.28 0.00 0.99 4.77 -1.24 -4.63 117.00 113.83 1yr3 n LEU 36 Ca -0.05 -0.56 0.05 0.00 -0.03 0.00 0.00 56.01 55.42 1yr3 n LEU 36 Cb 0.56 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.89 1yr3 n LEU 36 CO 0.37 0.07 0.63 0.61 -1.33 0.00 0.00 177.39 177.74 1yr3 n GLY 37 N 0.98 -0.72 0.00 -0.72 0.00 -1.26 -3.05 105.19 100.42 1yr3 n GLY 37 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1yr3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yr3 n ALA 38 N -1.38 0.83 0.04 4.61 0.00 -1.26 -0.70 120.51 122.65 1yr3 n ALA 38 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1yr3 n ALA 38 Cb 0.10 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 1yr3 n ALA 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yr3 h LEU 39 N 0.00 0.47 -0.38 0.00 5.85 -1.94 -3.27 115.31 116.03 1yr3 h LEU 39 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1yr3 h LEU 39 Cb 0.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1yr3 h LEU 39 CO 0.00 1.34 0.12 0.00 -0.34 0.00 0.00 178.44 179.56 1yr3 n ALA 40 N -2.65 0.81 0.41 1.25 0.00 0.12 -0.79 120.51 119.66 1yr3 n ALA 40 Ca -0.13 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1yr3 n ALA 40 Cb 0.78 -0.88 0.37 0.00 0.00 0.00 0.00 19.45 19.72 1yr3 n ALA 40 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yr3 h ASP 41 N 0.00 0.00 -0.54 0.00 3.32 -1.65 -3.20 116.42 114.35 1yr3 h ASP 41 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yr3 h ASP 41 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1yr3 h ASP 41 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1yr3 n GLN 42 N -2.66 4.28 -2.81 3.56 6.02 0.03 -4.95 117.38 120.85 1yr3 n GLN 42 Ca 0.04 -3.03 -0.41 0.00 -0.01 0.00 0.00 57.00 53.58 1yr3 n GLN 42 Cb 0.42 -2.09 -0.03 0.00 1.02 0.00 0.00 30.24 29.56 1yr3 n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1yr3 s ILE 43 N -2.51 4.89 0.17 5.09 1.01 -1.21 -4.86 121.20 123.79 1yr3 s ILE 43 Ca 0.51 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.72 1yr3 s ILE 43 Cb 0.38 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 1yr3 s ILE 43 CO 0.17 0.13 1.18 -1.61 0.00 0.00 0.00 174.94 174.80 1yr3 s GLU 44 N 1.36 4.51 -1.42 2.79 2.02 0.13 -3.21 118.70 124.88 1yr3 s GLU 44 Ca 0.46 1.83 -0.05 0.00 0.02 0.00 0.00 54.97 57.23 1yr3 s GLU 44 Cb -0.19 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 30.82 1yr3 s GLU 44 CO 0.21 -0.07 0.69 0.09 0.02 0.00 0.00 175.26 176.20 1yr3 n ASN 45 N 2.59 -1.89 -4.71 -0.19 4.13 -1.26 -1.59 115.26 112.34 1yr3 n ASN 45 Ca 0.04 -0.88 -0.42 0.00 1.68 0.00 0.00 54.58 55.00 1yr3 n ASN 45 Cb 0.45 -3.61 -0.03 0.00 -1.54 0.00 0.00 39.78 35.05 1yr3 n ASN 45 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yr3 s ALA 46 N -3.64 3.44 -0.13 5.41 0.00 -1.20 -4.51 121.76 121.13 1yr3 s ALA 46 Ca 0.21 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 1yr3 s ALA 46 Cb -0.11 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1yr3 s ALA 46 CO 0.85 -0.48 -0.11 0.08 0.00 0.00 0.00 175.76 176.10 1yr3 s VAL 47 N 1.05 3.23 -0.18 0.00 1.01 0.03 -4.95 120.40 120.59 1yr3 s VAL 47 Ca 0.60 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1yr3 s VAL 47 Cb -0.31 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 1yr3 s VAL 47 CO 0.30 0.52 -0.11 0.00 0.00 0.00 0.00 175.10 175.80 1yr3 s ALA 48 N 0.31 2.62 -0.19 5.51 0.00 -1.26 -1.06 121.76 127.69 1yr3 s ALA 48 Ca -0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1yr3 s ALA 48 Cb -0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1yr3 s ALA 48 CO 0.05 -0.18 -0.07 0.42 0.00 0.00 0.00 175.76 175.98 1yr3 s ILE 49 N 1.05 3.31 0.45 0.00 1.01 -0.70 -4.93 121.20 121.39 1yr3 s ILE 49 Ca -0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 1yr3 s ILE 49 Cb -0.15 -2.47 -0.08 0.00 0.01 0.00 0.00 42.46 39.78 1yr3 s ILE 49 CO -0.02 0.46 1.16 -0.55 0.00 0.00 0.00 174.94 175.99 1yr3 s SER 50 N 1.06 6.26 0.58 3.58 0.15 -1.26 0.29 113.70 124.36 1yr3 s SER 50 Ca 0.00 2.30 0.28 0.00 0.70 0.00 0.00 55.95 59.23 1yr3 s SER 50 Cb -0.15 -2.60 1.74 0.00 -1.71 0.00 0.00 66.02 63.30 1yr3 s SER 50 CO -0.01 -0.85 2.23 1.88 1.20 0.00 0.00 173.24 177.69 1yr3 h TYR 51 N 2.17 0.00 -0.01 3.44 0.05 0.26 0.28 116.97 123.17 1yr3 h TYR 51 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1yr3 h TYR 51 Cb 1.24 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.98 1yr3 h TYR 51 CO 0.54 0.00 0.02 0.93 -1.05 0.00 0.00 178.16 178.60 1yr3 h GLU 52 N 0.00 0.00 -0.00 4.88 5.08 -1.90 -0.11 114.58 122.52 1yr3 h GLU 52 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1yr3 h GLU 52 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1yr3 h GLU 52 CO -0.00 0.00 -0.68 1.63 -1.00 0.00 0.00 179.01 178.96 1yr3 n LYS 53 N -3.31 0.41 -3.76 2.33 5.02 0.09 -4.80 118.16 114.14 1yr3 n LYS 53 Ca -0.03 -0.32 -0.37 0.00 -2.02 0.00 0.00 58.31 55.58 1yr3 n LYS 53 Cb 0.10 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 1yr3 n LYS 53 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1yr3 s LEU 54 N -2.80 5.21 0.17 -0.35 1.43 -0.05 -5.01 118.68 117.28 1yr3 s LEU 54 Ca 0.13 -1.96 -0.34 0.00 -1.03 0.00 0.00 54.13 50.93 1yr3 s LEU 54 Cb 0.17 -1.84 -0.14 0.00 0.03 0.00 0.00 46.19 44.41 1yr3 s LEU 54 CO 0.72 -0.54 1.55 -0.81 0.23 0.00 0.00 176.35 177.50 1yr3 n PRO 55 N 4.63 2.12 0.00 1.29 -0.04 -1.26 -1.94 135.00 139.81 1yr3 n PRO 55 Ca -0.03 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1yr3 n PRO 55 Cb 0.41 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1yr3 n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yr3 n GLY 56 N 3.23 3.04 3.76 0.55 0.00 -1.26 -4.63 105.19 109.89 1yr3 n GLY 56 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1yr3 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yr3 s PHE 57 N -2.96 2.53 -1.16 1.61 0.40 -0.82 -4.59 117.98 112.99 1yr3 s PHE 57 Ca 0.00 1.52 -0.23 0.00 -0.60 0.00 0.00 56.93 57.62 1yr3 s PHE 57 Cb 0.00 -3.43 -0.09 0.00 0.51 0.00 0.00 43.02 40.01 1yr3 s PHE 57 CO 0.00 -1.97 1.95 -2.14 0.70 0.00 0.00 175.22 173.76 1yr3 s PRO 58 N -3.22 2.40 -0.22 0.24 0.02 -1.26 -4.94 135.00 128.03 1yr3 s PRO 58 Ca 0.74 -1.06 -0.34 0.00 0.02 0.00 0.00 61.00 60.35 1yr3 s PRO 58 Cb -0.29 -5.21 -0.11 0.00 0.02 0.00 0.00 34.50 28.91 1yr3 s PRO 58 CO 0.32 -4.06 2.02 0.28 -0.33 0.00 0.00 177.00 175.23 1yr3 n VAL 59 N 7.90 0.39 -1.26 3.83 0.31 -1.26 -4.79 118.33 123.45 1yr3 n VAL 59 Ca 0.44 -0.20 -0.35 0.00 -0.01 0.00 0.00 64.34 64.22 1yr3 n VAL 59 Cb 0.47 -1.82 0.09 0.00 -0.91 0.00 0.00 33.84 31.66 1yr3 n VAL 59 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1yr3 n SER 60 N 8.30 -0.23 0.00 4.52 2.88 -1.26 -4.93 113.62 122.90 1yr3 n SER 60 Ca 0.30 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1yr3 n SER 60 Cb 0.27 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1yr3 n SER 60 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1yr3 n THR 61 N -2.62 0.00 -4.54 2.46 -2.24 -1.26 -5.06 114.28 101.02 1yr3 n THR 61 Ca 0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 1yr3 n THR 61 Cb 0.50 0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 69.38 1yr3 n THR 61 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yr3 s VAL 62 N 0.00 2.75 0.21 2.28 1.01 -1.26 -5.12 120.40 120.27 1yr3 s VAL 62 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1yr3 s VAL 62 Cb 0.00 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 1yr3 s VAL 62 CO 0.00 0.25 1.21 -1.00 0.00 0.00 0.00 175.10 175.56 1yr3 s HIS 63 N -1.00 3.40 0.00 5.22 3.76 -1.26 -3.03 115.29 122.38 1yr3 s HIS 63 Ca 0.16 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.50 1yr3 s HIS 63 Cb -0.10 -3.45 0.00 0.00 1.11 0.00 0.00 32.58 30.13 1yr3 s HIS 63 CO 0.07 -1.26 0.00 0.41 -0.85 0.00 0.00 174.74 173.11 1yr3 n GLY 64 N 1.97 0.65 2.82 -2.22 0.00 -1.26 -4.83 105.19 102.33 1yr3 n GLY 64 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1yr3 n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yr3 s HIS 65 N -2.18 1.34 -0.03 1.61 4.02 -1.17 -3.18 115.29 115.70 1yr3 s HIS 65 Ca 0.00 -0.89 -0.05 0.00 1.02 0.00 0.00 55.06 55.14 1yr3 s HIS 65 Cb 0.00 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.58 30.39 1yr3 s HIS 65 CO 0.00 -0.57 0.34 0.00 1.02 0.00 0.00 174.74 175.52 1yr3 h ALA 66 N 8.19 -0.31 0.00 -1.40 0.00 -1.84 -3.44 119.26 120.46 1yr3 h ALA 66 Ca -0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1yr3 h ALA 66 Cb 1.11 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1yr3 h ALA 66 CO 0.36 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1yr3 n GLY 67 N 1.05 1.28 3.37 0.00 0.00 -1.02 -4.57 105.19 105.29 1yr3 n GLY 67 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1yr3 n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yr3 s GLU 68 N 0.00 1.38 -0.29 1.61 2.02 -1.18 0.23 118.70 122.47 1yr3 s GLU 68 Ca 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.48 1yr3 s GLU 68 Cb 0.00 -1.36 0.07 0.00 0.10 0.00 0.00 34.13 32.94 1yr3 s GLU 68 CO 0.00 0.26 -0.06 -1.17 0.02 0.00 0.00 175.26 174.31 1yr3 s LEU 69 N -3.03 3.86 -0.20 1.80 2.96 0.14 -1.43 118.68 122.79 1yr3 s LEU 69 Ca 0.21 -1.61 -0.15 0.00 -0.22 0.00 0.00 54.13 52.35 1yr3 s LEU 69 Cb -0.04 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1yr3 s LEU 69 CO 0.08 -0.25 0.37 -0.69 -1.32 0.00 0.00 176.35 174.55 1yr3 s VAL 70 N 1.05 5.22 -0.07 1.68 1.01 0.12 -1.72 120.40 127.69 1yr3 s VAL 70 Ca -0.03 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.65 1yr3 s VAL 70 Cb -0.20 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1yr3 s VAL 70 CO -0.06 0.27 -0.19 -0.76 0.00 0.00 0.00 175.10 174.36 1yr3 s LEU 71 N 1.21 2.42 0.00 3.92 1.02 -0.23 0.32 118.68 127.35 1yr3 s LEU 71 Ca 0.18 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 53.96 1yr3 s LEU 71 Cb -0.14 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.58 1yr3 s LEU 71 CO 0.07 0.25 0.00 0.61 0.02 0.00 0.00 176.35 177.31 1yr3 n GLY 72 N 2.90 -0.77 3.30 -3.19 0.00 -0.47 -0.79 105.19 106.17 1yr3 n GLY 72 Ca -0.18 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1yr3 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yr3 s HIS 73 N -4.00 1.95 -0.13 1.61 3.76 -0.62 0.52 115.29 118.38 1yr3 s HIS 73 Ca 0.00 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.47 1yr3 s HIS 73 Cb 0.00 -1.10 0.06 0.00 1.11 0.00 0.00 32.58 32.66 1yr3 s HIS 73 CO 0.00 0.20 0.21 -1.17 -0.85 0.00 0.00 174.74 173.13 1yr3 s LEU 74 N -1.69 -0.17 -1.47 0.89 2.96 -0.29 0.20 118.68 119.11 1yr3 s LEU 74 Ca 0.09 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.24 1yr3 s LEU 74 Cb -0.10 0.45 0.01 0.00 0.50 0.00 0.00 46.19 47.06 1yr3 s LEU 74 CO 0.04 -0.26 0.88 0.00 -1.32 0.00 0.00 176.35 175.69 1yr3 n GLN 75 N 5.33 -6.31 -1.55 1.98 1.13 -1.26 -1.00 117.38 115.70 1yr3 n GLN 75 Ca -0.05 0.86 -0.16 0.00 -1.94 0.00 0.00 57.00 55.71 1yr3 n GLN 75 Cb 0.50 -5.82 -0.06 0.00 0.11 0.00 0.00 30.24 24.97 1yr3 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yr3 n GLY 76 N -1.75 1.35 3.31 1.08 0.00 -1.26 -4.82 105.19 103.09 1yr3 n GLY 76 Ca -0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1yr3 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yr3 s VAL 77 N -2.60 2.95 0.24 1.61 1.01 -0.17 -5.07 120.40 118.36 1yr3 s VAL 77 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1yr3 s VAL 77 Cb 0.00 -2.27 -0.12 0.00 0.00 0.00 0.00 36.38 34.00 1yr3 s VAL 77 CO 0.00 0.50 1.67 -2.16 0.00 0.00 0.00 175.10 175.11 1yr3 s PRO 78 N 0.81 4.13 -0.05 2.72 0.04 -1.26 -1.14 135.00 140.24 1yr3 s PRO 78 Ca -0.04 2.59 -0.06 0.00 0.04 0.00 0.00 61.00 63.53 1yr3 s PRO 78 Cb -0.15 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1yr3 s PRO 78 CO 0.01 -0.70 0.16 0.08 0.04 0.00 0.00 177.00 176.58 1yr3 s VAL 79 N 0.77 0.01 -0.26 -0.36 1.01 0.18 -1.13 120.40 120.62 1yr3 s VAL 79 Ca 0.71 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 1yr3 s VAL 79 Cb -0.49 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1yr3 s VAL 79 CO 0.37 -0.03 -0.05 0.54 0.00 0.00 0.00 175.10 175.94 1yr3 s VAL 80 N -0.03 2.91 -0.17 2.92 0.11 -0.88 -1.37 120.40 123.88 1yr3 s VAL 80 Ca -0.01 -1.08 -0.02 0.00 -2.93 0.00 0.00 61.98 57.94 1yr3 s VAL 80 Cb -0.02 -2.51 -0.01 0.00 -1.53 0.00 0.00 36.38 32.31 1yr3 s VAL 80 CO 0.00 0.14 -0.08 0.00 -3.33 0.00 0.00 175.10 171.83 1yr3 s MET 82 N 0.89 3.14 -0.77 0.00 -1.94 0.29 0.14 119.30 121.04 1yr3 s MET 82 Ca -0.02 -0.84 -0.24 0.00 -1.71 0.00 0.00 55.69 52.88 1yr3 s MET 82 Cb -0.15 -4.11 0.06 0.00 2.01 0.00 0.00 34.83 32.64 1yr3 s MET 82 CO 0.00 -1.31 1.16 0.15 -0.01 0.00 0.00 175.02 175.01 1yr3 s LYS 83 N 2.87 3.26 0.00 2.03 1.02 -0.51 0.03 119.74 128.44 1yr3 s LYS 83 Ca 0.17 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1yr3 s LYS 83 Cb -0.19 -4.46 0.00 0.00 -0.52 0.00 0.00 37.83 32.67 1yr3 s LYS 83 CO 0.12 -1.98 0.00 0.41 -0.92 0.00 0.00 175.35 172.99 1yr3 n GLY 84 N 5.59 2.55 1.29 -3.33 0.00 -0.21 -2.42 105.19 108.65 1yr3 n GLY 84 Ca 0.07 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 1yr3 n GLY 84 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yr3 n ARG 85 N 1.61 1.51 -5.07 1.61 1.85 -1.26 -4.81 116.66 112.10 1yr3 n ARG 85 Ca 0.00 -1.29 -0.30 0.00 -1.00 0.00 0.00 57.85 55.26 1yr3 n ARG 85 Cb 0.00 0.32 -0.15 0.00 -1.05 0.00 0.00 32.46 31.57 1yr3 n ARG 85 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1yr3 s GLY 86 N -2.06 1.29 0.35 2.89 0.00 -1.26 -4.86 107.32 103.67 1yr3 s GLY 86 Ca 0.02 -1.16 0.09 0.00 0.00 0.00 0.00 44.72 43.67 1yr3 s GLY 86 CO 0.01 -1.01 -0.00 0.30 0.00 0.00 0.00 173.10 172.40 1yr3 s HIS 87 N -0.69 2.52 0.02 1.90 0.09 -1.26 -4.73 115.29 113.14 1yr3 s HIS 87 Ca 0.10 -0.48 -0.25 0.00 -0.00 0.00 0.00 55.06 54.44 1yr3 s HIS 87 Cb -0.10 -1.51 -0.18 0.00 -0.00 0.00 0.00 32.58 30.79 1yr3 s HIS 87 CO 0.01 0.48 1.41 0.35 -0.00 0.00 0.00 174.74 176.99 1yr3 h PHE 88 N 1.83 -0.15 0.00 1.40 3.57 -1.84 -2.86 116.94 118.89 1yr3 h PHE 88 Ca -0.43 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1yr3 h PHE 88 Cb 1.25 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1yr3 h PHE 88 CO 0.72 0.15 0.09 2.48 -2.23 0.00 0.00 178.31 179.52 1yr3 n TYR 89 N -5.03 0.00 0.71 0.41 0.18 -1.24 -0.50 117.16 111.68 1yr3 n TYR 89 Ca -0.09 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.82 1yr3 n TYR 89 Cb 0.20 -0.12 0.48 0.00 -0.38 0.00 0.00 39.34 39.51 1yr3 n TYR 89 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1yr3 n GLU 90 N -1.00 0.15 -0.84 -3.48 1.02 -1.08 -4.76 120.64 110.65 1yr3 n GLU 90 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1yr3 n GLU 90 Cb 0.09 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1yr3 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yr3 n GLY 91 N 1.09 0.70 0.37 0.62 0.00 0.34 -4.97 105.19 103.34 1yr3 n GLY 91 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.45 1yr3 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yr3 n ARG 92 N -2.18 2.69 0.00 1.61 1.74 -1.26 -5.11 116.66 114.16 1yr3 n ARG 92 Ca 0.00 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 1yr3 n ARG 92 Cb 0.09 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1yr3 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yr3 n GLY 93 N -0.29 -1.09 0.01 -0.13 0.00 -1.26 -4.41 105.19 98.03 1yr3 n GLY 93 Ca 0.10 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.52 1yr3 n GLY 93 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yr3 n MET 94 N -1.17 0.01 -0.02 1.61 2.81 -1.26 -2.40 117.12 116.70 1yr3 n MET 94 Ca 0.00 0.45 0.13 0.00 -1.81 0.00 0.00 57.70 56.46 1yr3 n MET 94 Cb 0.00 -1.53 0.57 0.00 -0.71 0.00 0.00 33.22 31.55 1yr3 n MET 94 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1yr3 n THR 95 N -1.55 0.06 -0.06 2.03 -2.24 -1.26 -4.37 114.28 106.88 1yr3 n THR 95 Ca 0.01 -0.18 0.23 0.00 -2.27 0.00 0.00 64.05 61.83 1yr3 n THR 95 Cb 0.05 0.12 0.70 0.00 -2.10 0.00 0.00 70.33 69.10 1yr3 n THR 95 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1yr3 h ILE 96 N 1.43 0.67 0.00 2.28 2.10 -1.68 -2.39 117.51 119.92 1yr3 h ILE 96 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1yr3 h ILE 96 Cb 0.31 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1yr3 h ILE 96 CO 0.00 0.00 -1.13 0.23 -1.08 0.00 0.00 178.15 176.17 1yr3 n MET 97 N -4.34 0.79 0.05 2.19 2.81 -1.26 -4.61 117.12 112.74 1yr3 n MET 97 Ca 0.13 -0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.86 1yr3 n MET 97 Cb 0.73 -1.40 -0.07 0.00 -0.71 0.00 0.00 33.22 31.77 1yr3 n MET 97 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1yr3 h THR 98 N 0.00 0.00 -0.96 2.03 2.02 -1.71 -0.71 112.91 113.58 1yr3 h THR 98 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 1yr3 h THR 98 Cb 0.55 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.87 1yr3 h THR 98 CO 0.00 0.00 0.62 0.44 0.37 0.00 0.00 175.52 176.95 1yr3 h ASP 99 N -0.49 0.55 0.56 4.18 3.32 -1.85 0.59 116.42 123.27 1yr3 h ASP 99 Ca 0.00 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1yr3 h ASP 99 Cb 0.51 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.04 1yr3 h ASP 99 CO -0.24 0.20 -0.27 0.00 -1.72 0.00 0.00 179.24 177.22 1yr3 h ALA 100 N 1.62 -0.75 -0.74 3.45 0.00 -1.62 0.13 119.26 121.37 1yr3 h ALA 100 Ca 0.53 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1yr3 h ALA 100 Cb 1.12 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1yr3 h ALA 100 CO -0.26 -0.90 0.45 0.82 0.00 0.00 0.00 179.25 179.36 1yr3 h ILE 101 N -0.79 1.07 -0.03 0.00 5.03 0.45 0.23 117.51 123.48 1yr3 h ILE 101 Ca -0.08 -0.30 0.01 0.00 -0.12 0.00 0.00 64.86 64.37 1yr3 h ILE 101 Cb 0.59 0.12 -0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1yr3 h ILE 101 CO 0.13 0.16 0.02 0.03 -0.68 0.00 0.00 178.15 177.81 1yr3 h ARG 102 N 0.87 0.00 -0.04 2.37 3.08 0.49 -0.80 114.38 120.35 1yr3 h ARG 102 Ca 0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1yr3 h ARG 102 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1yr3 h ARG 102 CO -0.13 0.00 -0.04 1.15 -1.07 0.00 0.00 179.97 179.88 1yr3 h THR 103 N 0.00 1.38 -0.54 2.04 2.02 0.13 -2.47 112.91 115.47 1yr3 h THR 103 Ca 0.01 -1.21 0.11 0.00 0.77 0.00 0.00 66.41 66.09 1yr3 h THR 103 Cb 0.06 2.11 -0.10 0.00 -1.74 0.00 0.00 68.15 68.48 1yr3 h THR 103 CO -0.00 0.33 -0.11 -0.26 0.37 0.00 0.00 175.52 175.85 1yr3 h PHE 104 N -0.36 -0.23 -0.30 3.16 0.04 -0.58 0.16 116.94 118.82 1yr3 h PHE 104 Ca 0.01 0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.89 1yr3 h PHE 104 Cb 0.55 0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.83 1yr3 h PHE 104 CO 0.10 -0.21 -0.10 -0.22 -0.60 0.00 0.00 178.31 177.27 1yr3 h LYS 105 N 0.02 -0.04 -0.67 1.51 1.63 -1.23 -2.11 116.57 115.68 1yr3 h LYS 105 Ca 0.26 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1yr3 h LYS 105 Cb 0.41 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1yr3 h LYS 105 CO -0.54 -0.03 0.19 -0.07 -3.45 0.00 0.00 179.45 175.56 1yr3 h LEU 106 N -0.04 1.00 -1.89 5.20 3.38 -0.77 -2.17 115.31 120.02 1yr3 h LEU 106 Ca 0.15 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1yr3 h LEU 106 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1yr3 h LEU 106 CO -0.34 0.96 0.46 -0.07 0.09 0.00 0.00 178.44 179.55 1yr3 h LEU 107 N 0.99 0.00 0.00 1.67 3.38 -0.05 -3.44 115.31 117.86 1yr3 h LEU 107 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1yr3 h LEU 107 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1yr3 h LEU 107 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1yr3 n GLY 108 N -1.42 0.76 3.54 0.83 0.00 -0.82 -4.35 105.19 103.74 1yr3 n GLY 108 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1yr3 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yr3 n GLU 110 N 0.06 2.15 -3.55 0.00 0.28 0.19 -4.80 120.64 114.97 1yr3 n GLU 110 Ca 0.11 -0.54 -0.14 0.00 -0.16 0.00 0.00 57.16 56.43 1yr3 n GLU 110 Cb 0.42 -1.15 -0.06 0.00 1.43 0.00 0.00 31.44 32.08 1yr3 n GLU 110 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1yr3 s LEU 111 N -1.99 -0.51 -0.23 -1.84 0.05 -1.06 -4.18 118.68 108.92 1yr3 s LEU 111 Ca 0.09 0.59 -0.05 0.00 0.05 0.00 0.00 54.13 54.81 1yr3 s LEU 111 Cb 0.10 2.19 -0.02 0.00 -2.05 0.00 0.00 46.19 46.41 1yr3 s LEU 111 CO 0.36 -0.46 0.01 -0.22 -0.55 0.00 0.00 176.35 175.50 1yr3 s LEU 112 N -1.06 3.19 -0.61 1.48 2.96 0.37 -1.19 118.68 123.82 1yr3 s LEU 112 Ca -0.06 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1yr3 s LEU 112 Cb -0.01 -1.83 0.15 0.00 0.50 0.00 0.00 46.19 45.01 1yr3 s LEU 112 CO 0.05 -0.00 0.53 0.12 -1.32 0.00 0.00 176.35 175.72 1yr3 s PHE 113 N 1.41 3.46 -0.22 5.38 5.99 0.61 -0.86 117.98 133.74 1yr3 s PHE 113 Ca 0.05 -1.78 -0.19 0.00 0.00 0.00 0.00 56.93 55.00 1yr3 s PHE 113 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 43.02 39.18 1yr3 s PHE 113 CO 0.01 -0.99 0.57 0.00 -0.00 0.00 0.00 175.22 174.80 1yr3 s THR 115 N 1.98 3.25 -0.24 0.00 -4.23 -1.08 -1.22 115.64 114.10 1yr3 s THR 115 Ca 0.25 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 1yr3 s THR 115 Cb -0.16 -2.71 0.16 0.00 1.34 0.00 0.00 72.50 71.14 1yr3 s THR 115 CO 0.09 -0.32 1.21 0.54 -0.54 0.00 0.00 174.62 175.60 1yr3 s ASN 116 N -3.47 -0.19 0.02 3.99 4.22 -1.13 -4.17 114.94 114.20 1yr3 s ASN 116 Ca 0.30 0.24 -0.23 0.00 -2.14 0.00 0.00 52.86 51.03 1yr3 s ASN 116 Cb -0.07 0.20 -0.05 0.00 1.28 0.00 0.00 41.25 42.61 1yr3 s ASN 116 CO 0.18 -0.16 0.70 0.00 -2.04 0.00 0.00 177.10 175.78 1yr3 s ALA 117 N -0.86 3.41 0.30 3.54 0.00 -1.26 -0.79 121.76 126.09 1yr3 s ALA 117 Ca 0.04 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.23 1yr3 s ALA 117 Cb -0.01 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1yr3 s ALA 117 CO -0.05 0.08 0.29 0.00 0.00 0.00 0.00 175.76 176.08 1yr3 n ALA 118 N 2.88 0.43 -2.63 0.00 0.00 -0.82 -4.78 120.51 115.59 1yr3 n ALA 118 Ca -0.04 -1.67 -0.29 0.00 0.00 0.00 0.00 53.44 51.44 1yr3 n ALA 118 Cb 0.51 1.35 -0.09 0.00 0.00 0.00 0.00 19.45 21.22 1yr3 n ALA 118 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yr3 s GLY 119 N -3.04 1.84 0.09 0.00 0.00 -0.30 -0.71 107.32 105.19 1yr3 s GLY 119 Ca 0.33 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.72 1yr3 s GLY 119 CO 0.24 -1.20 0.45 -0.45 0.00 0.00 0.00 173.10 172.14 1yr3 s SER 120 N -2.35 6.74 0.00 1.64 0.15 -0.36 -1.66 113.70 117.85 1yr3 s SER 120 Ca 0.24 0.92 0.12 0.00 0.70 0.00 0.00 55.95 57.93 1yr3 s SER 120 Cb -0.11 -2.23 0.18 0.00 -1.71 0.00 0.00 66.02 62.16 1yr3 s SER 120 CO 0.16 0.18 1.03 0.18 1.20 0.00 0.00 173.24 175.99 1yr3 n LEU 121 N 1.05 2.38 -4.15 3.45 4.77 0.20 0.10 117.00 124.80 1yr3 n LEU 121 Ca -0.08 -1.37 -0.32 0.00 -0.03 0.00 0.00 56.01 54.20 1yr3 n LEU 121 Cb 0.52 -0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1yr3 n LEU 121 CO 0.41 0.52 -0.54 -0.13 -1.33 0.00 0.00 177.39 176.32 1yr3 s ARG 122 N -1.01 2.96 0.54 3.23 0.52 -1.25 -4.92 118.95 119.02 1yr3 s ARG 122 Ca 0.18 -0.83 0.25 0.00 -0.52 0.00 0.00 55.73 54.81 1yr3 s ARG 122 Cb 0.11 -2.43 1.52 0.00 0.52 0.00 0.00 34.95 34.67 1yr3 s ARG 122 CO 0.16 -0.06 2.15 -1.35 0.02 0.00 0.00 175.30 176.22 1yr3 h PRO 123 N 7.46 0.00 -0.91 3.54 0.11 -1.95 -2.02 132.00 138.22 1yr3 h PRO 123 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1yr3 h PRO 123 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1yr3 h PRO 123 CO 0.57 0.06 0.56 1.05 -0.21 0.00 0.00 178.00 180.03 1yr3 h GLU 124 N 0.00 1.22 -4.95 1.05 4.11 -2.01 -3.40 114.58 110.60 1yr3 h GLU 124 Ca -0.00 -0.10 -0.63 0.00 0.07 0.00 0.00 59.36 58.70 1yr3 h GLU 124 Cb 0.14 -0.26 -0.16 0.00 0.50 0.00 0.00 28.75 28.97 1yr3 h GLU 124 CO 0.01 0.84 -0.52 0.08 0.07 0.00 0.00 179.01 179.50 1yr3 s VAL 125 N -5.95 5.32 0.13 -1.06 1.01 -0.76 -5.08 120.40 114.01 1yr3 s VAL 125 Ca -0.12 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1yr3 s VAL 125 Cb 0.18 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1yr3 s VAL 125 CO 0.81 0.28 0.05 0.61 0.00 0.00 0.00 175.10 176.86 1yr3 n GLY 126 N 4.83 3.46 3.66 4.51 0.00 -1.26 -4.65 105.19 115.74 1yr3 n GLY 126 Ca -0.14 -2.22 -0.45 0.00 0.00 0.00 0.00 46.02 43.21 1yr3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yr3 n ALA 127 N -2.68 0.76 -0.10 4.61 0.00 -1.26 -2.10 120.51 119.75 1yr3 n ALA 127 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1yr3 n ALA 127 Cb 0.15 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1yr3 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yr3 n GLY 128 N 1.75 0.76 3.87 0.00 0.00 -0.41 -4.96 105.19 106.20 1yr3 n GLY 128 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1yr3 n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yr3 s SER 129 N -2.71 6.38 -0.03 1.61 0.01 -0.89 -4.16 113.70 113.91 1yr3 s SER 129 Ca 0.00 1.27 0.03 0.00 1.31 0.00 0.00 55.95 58.57 1yr3 s SER 129 Cb 0.00 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1yr3 s SER 129 CO 0.00 -0.64 -0.11 -0.76 0.41 0.00 0.00 173.24 172.14 1yr3 s LEU 130 N -4.56 2.91 -0.06 2.44 1.43 -1.26 -0.99 118.68 118.59 1yr3 s LEU 130 Ca 0.53 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1yr3 s LEU 130 Cb -0.10 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1yr3 s LEU 130 CO 0.42 0.33 -0.08 -0.69 0.23 0.00 0.00 176.35 176.56 1yr3 s VAL 131 N -0.83 0.85 -0.45 -1.59 1.01 -0.27 -3.76 120.40 115.37 1yr3 s VAL 131 Ca 0.13 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1yr3 s VAL 131 Cb -0.11 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.48 1yr3 s VAL 131 CO 0.03 0.30 0.68 0.00 0.00 0.00 0.00 175.10 176.10 1yr3 s ALA 132 N 0.90 3.33 0.30 5.51 0.00 -0.27 -0.24 121.76 131.30 1yr3 s ALA 132 Ca -0.11 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1yr3 s ALA 132 Cb -0.15 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 1yr3 s ALA 132 CO 0.01 -1.87 1.33 -0.51 0.00 0.00 0.00 175.76 174.72 1yr3 s LEU 133 N 2.93 4.42 0.00 0.00 1.43 -0.79 -2.39 118.68 124.28 1yr3 s LEU 133 Ca 0.23 2.65 0.05 0.00 -1.03 0.00 0.00 54.13 56.03 1yr3 s LEU 133 Cb -0.14 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1yr3 s LEU 133 CO 0.19 -0.56 0.66 2.29 0.23 0.00 0.00 176.35 179.16 1yr3 n LYS 134 N 1.29 -0.27 0.00 1.70 2.85 -0.24 -4.61 118.16 118.89 1yr3 n LYS 134 Ca 0.02 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.47 1yr3 n LYS 134 Cb 0.42 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 1yr3 n LYS 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yr3 n ASP 135 N 0.27 0.00 -3.90 -5.58 -0.08 -1.26 -4.63 116.55 101.37 1yr3 n ASP 135 Ca 0.03 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.22 1yr3 n ASP 135 Cb 0.12 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.51 1yr3 n ASP 135 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1yr3 s HIS 136 N -2.00 0.25 -0.27 -0.67 -3.43 -1.26 -1.00 115.29 106.92 1yr3 s HIS 136 Ca 0.00 -0.65 0.02 0.00 -0.80 0.00 0.00 55.06 53.63 1yr3 s HIS 136 Cb 0.00 -0.05 0.07 0.00 -1.43 0.00 0.00 32.58 31.17 1yr3 s HIS 136 CO 0.00 -0.63 -0.04 0.42 -2.00 0.00 0.00 174.74 172.49 1yr3 s ILE 137 N -3.91 1.82 0.15 -5.38 1.01 0.11 -4.90 121.20 110.11 1yr3 s ILE 137 Ca 0.11 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 58.87 1yr3 s ILE 137 Cb 0.04 -2.11 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 1yr3 s ILE 137 CO -0.06 -0.22 1.16 0.21 0.00 0.00 0.00 174.94 176.03 1yr3 s ASN 138 N 1.22 7.16 0.00 3.58 2.47 -1.26 -1.78 114.94 126.33 1yr3 s ASN 138 Ca -0.02 2.13 0.00 0.00 0.42 0.00 0.00 52.86 55.38 1yr3 s ASN 138 Cb -0.19 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.01 1yr3 s ASN 138 CO -0.08 -0.33 0.00 0.41 -3.72 0.00 0.00 177.10 173.38 1yr3 n THR 139 N 2.77 0.00 -2.15 -5.21 -1.04 -1.15 -4.89 114.28 102.60 1yr3 n THR 139 Ca 0.05 -0.36 -0.36 0.00 -2.04 0.00 0.00 64.05 61.34 1yr3 n THR 139 Cb 0.46 0.93 0.01 0.00 -1.82 0.00 0.00 70.33 69.91 1yr3 n THR 139 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1yr3 s MET 140 N -0.93 3.21 -0.07 -2.82 -1.94 -1.26 -4.72 119.30 110.77 1yr3 s MET 140 Ca 0.00 1.72 -0.30 0.00 -1.71 0.00 0.00 55.69 55.40 1yr3 s MET 140 Cb 0.00 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 1yr3 s MET 140 CO 0.00 -0.99 1.47 -1.25 -0.01 0.00 0.00 175.02 174.25 1yr3 s PRO 141 N -3.27 4.22 0.88 2.03 0.04 -1.26 -4.82 135.00 132.82 1yr3 s PRO 141 Ca 0.74 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1yr3 s PRO 141 Cb -0.27 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1yr3 s PRO 141 CO 0.30 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1yr3 n GLY 142 N 3.85 -2.11 3.12 0.56 0.00 -1.26 -4.85 105.19 104.50 1yr3 n GLY 142 Ca 0.15 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 1yr3 n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yr3 s THR 143 N -0.07 0.18 0.31 2.61 -4.23 -1.26 -5.00 115.64 108.18 1yr3 s THR 143 Ca 0.00 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1yr3 s THR 143 Cb 0.00 -1.65 0.28 0.00 1.34 0.00 0.00 72.50 72.47 1yr3 s THR 143 CO 0.00 -0.82 1.93 -0.65 -0.54 0.00 0.00 174.62 174.54 1yr3 h PRO 144 N 3.03 0.95 -0.01 3.99 0.11 -1.89 -2.82 132.00 135.36 1yr3 h PRO 144 Ca -0.34 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1yr3 h PRO 144 Cb 1.16 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1yr3 h PRO 144 CO 0.63 0.63 -0.10 -1.33 -0.21 0.00 0.00 178.00 177.63 1yr3 n MET 145 N -4.48 1.12 -1.67 1.05 2.81 -1.26 -4.60 117.12 110.09 1yr3 n MET 145 Ca 0.13 -0.55 -0.47 0.00 -1.81 0.00 0.00 57.70 55.00 1yr3 n MET 145 Cb 0.18 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.16 1yr3 n MET 145 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1yr3 n VAL 146 N -0.46 0.32 0.00 2.03 0.31 -1.07 -4.66 118.33 114.80 1yr3 n VAL 146 Ca 0.17 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1yr3 n VAL 146 Cb 0.31 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1yr3 n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yr3 n GLY 147 N 3.94 0.65 3.75 2.92 0.00 -1.26 -5.03 105.19 110.16 1yr3 n GLY 147 Ca 0.20 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 1yr3 n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yr3 n LEU 148 N 0.00 4.58 -4.81 0.99 4.77 -1.26 -4.95 117.00 116.32 1yr3 n LEU 148 Ca 0.00 1.19 -0.38 0.00 -0.03 0.00 0.00 56.01 56.78 1yr3 n LEU 148 Cb 0.00 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.45 1yr3 n LEU 148 CO 0.00 -0.10 0.31 0.21 -1.33 0.00 0.00 177.39 176.48 1yr3 s ASN 149 N -0.27 7.10 -0.98 -1.43 2.47 -1.26 -5.02 114.94 115.55 1yr3 s ASN 149 Ca 0.56 1.32 -0.15 0.00 0.42 0.00 0.00 52.86 55.01 1yr3 s ASN 149 Cb -0.49 -2.38 0.18 0.00 -1.45 0.00 0.00 41.25 37.12 1yr3 s ASN 149 CO 0.62 0.25 1.09 -0.62 -3.72 0.00 0.00 177.10 174.71 1yr3 s ASP 150 N -1.17 6.85 0.56 -4.21 -1.08 -1.26 -4.88 116.67 111.48 1yr3 s ASP 150 Ca 0.31 -2.62 0.47 0.00 -0.52 0.00 0.00 52.55 50.19 1yr3 s ASP 150 Cb -0.20 -2.32 1.62 0.00 -1.46 0.00 0.00 42.92 40.56 1yr3 s ASP 150 CO 0.20 -0.76 1.52 0.47 0.52 0.00 0.00 175.17 177.12 1yr3 n ASP 151 N 5.14 0.00 -0.20 -0.34 8.00 -1.26 -0.49 116.55 127.39 1yr3 n ASP 151 Ca 0.24 0.96 0.02 0.00 0.71 0.00 0.00 54.79 56.71 1yr3 n ASP 151 Cb 0.46 -0.46 0.27 0.00 -0.02 0.00 0.00 41.12 41.37 1yr3 n ASP 151 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1yr3 h ARG 152 N 0.00 0.92 0.00 -1.24 3.08 -2.03 -3.31 114.38 111.80 1yr3 h ARG 152 Ca 0.88 -0.06 -0.32 0.00 0.07 0.00 0.00 59.98 60.56 1yr3 h ARG 152 Cb 3.67 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 33.45 1yr3 h ARG 152 CO -0.01 0.61 -2.21 1.19 -1.07 0.00 0.00 179.97 178.48 1yr3 n PHE 153 N -4.44 0.00 -3.16 3.04 3.72 0.35 -5.10 117.46 111.88 1yr3 n PHE 153 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 1yr3 n PHE 153 Cb 0.07 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 1yr3 n PHE 153 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yr3 n GLY 154 N 2.19 1.85 3.99 1.37 0.00 -1.12 -4.04 105.19 109.44 1yr3 n GLY 154 Ca -0.33 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 1yr3 n GLY 154 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yr3 s GLU 155 N -2.02 2.99 0.13 1.61 2.02 -1.26 -4.07 118.70 118.09 1yr3 s GLU 155 Ca 0.03 -0.98 -0.19 0.00 0.02 0.00 0.00 54.97 53.84 1yr3 s GLU 155 Cb -0.01 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 1yr3 s GLU 155 CO 0.02 -0.13 1.73 -0.09 0.02 0.00 0.00 175.26 176.80 1yr3 h ARG 156 N 0.69 0.09 -6.35 1.61 9.65 -1.97 -3.42 114.38 114.68 1yr3 h ARG 156 Ca -0.44 -0.01 -0.69 0.00 -1.10 0.00 0.00 59.98 57.74 1yr3 h ARG 156 Cb 1.27 -0.02 -0.25 0.00 -1.39 0.00 0.00 29.97 29.57 1yr3 h ARG 156 CO 0.51 0.06 -0.80 -0.06 2.80 0.00 0.00 179.97 182.48 1yr3 s PHE 157 N -6.19 2.62 -0.01 2.20 0.08 -1.26 -5.05 117.98 110.37 1yr3 s PHE 157 Ca -0.13 -0.25 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 1yr3 s PHE 157 Cb 0.10 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 1yr3 s PHE 157 CO 0.69 0.12 0.17 -0.59 -0.10 0.00 0.00 175.22 175.50 1yr3 s PHE 158 N -0.66 -0.02 0.11 0.36 -0.12 -1.26 -5.15 117.98 111.24 1yr3 s PHE 158 Ca 0.10 0.01 -0.24 0.00 -0.05 0.00 0.00 56.93 56.75 1yr3 s PHE 158 Cb -0.11 -0.01 -0.07 0.00 -0.63 0.00 0.00 43.02 42.20 1yr3 s PHE 158 CO 0.00 -0.27 0.73 0.45 -0.05 0.00 0.00 175.22 176.08 1yr3 s SER 159 N -1.17 7.27 -0.11 1.98 0.15 -1.26 -4.96 113.70 115.60 1yr3 s SER 159 Ca -0.12 1.51 0.18 0.00 0.70 0.00 0.00 55.95 58.22 1yr3 s SER 159 Cb -0.06 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.51 1yr3 s SER 159 CO 0.02 0.16 1.64 0.18 1.20 0.00 0.00 173.24 176.43 1yr3 n LEU 160 N 2.02 4.80 -4.72 3.45 4.77 -1.26 -4.91 117.00 121.15 1yr3 n LEU 160 Ca -0.05 -2.46 -0.42 0.00 -0.03 0.00 0.00 56.01 53.05 1yr3 n LEU 160 Cb 0.50 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1yr3 n LEU 160 CO 0.46 0.82 1.15 0.00 -1.33 0.00 0.00 177.39 178.48 1yr3 s ALA 161 N -1.86 3.69 -1.45 -1.18 0.00 -1.26 -2.04 121.76 117.65 1yr3 s ALA 161 Ca 0.52 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.67 1yr3 s ALA 161 Cb 0.33 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.91 1yr3 s ALA 161 CO 0.25 -0.72 0.93 -1.71 0.00 0.00 0.00 175.76 174.51 1yr3 n ASN 162 N 3.59 -5.65 -0.07 0.00 5.15 -1.26 -4.88 115.26 112.13 1yr3 n ASN 162 Ca 0.11 -0.54 -0.08 0.00 -0.60 0.00 0.00 54.58 53.47 1yr3 n ASN 162 Cb 0.40 -4.51 -0.01 0.00 -0.53 0.00 0.00 39.78 35.13 1yr3 n ASN 162 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yr3 h ALA 163 N 1.00 0.31 -2.09 5.20 0.00 -1.76 -3.18 119.26 118.74 1yr3 h ALA 163 Ca -0.55 0.01 -0.73 0.00 0.00 0.00 0.00 54.91 53.64 1yr3 h ALA 163 Cb 1.36 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.93 1yr3 h ALA 163 CO 0.59 -0.28 0.79 0.71 0.00 0.00 0.00 179.25 181.06 1yr3 s TYR 164 N -6.17 3.42 -0.23 0.00 1.51 -1.26 -3.64 117.35 110.97 1yr3 s TYR 164 Ca -0.13 -1.78 -0.21 0.00 -1.01 0.00 0.00 57.07 53.94 1yr3 s TYR 164 Cb 0.10 -4.17 -0.09 0.00 -0.11 0.00 0.00 41.96 37.69 1yr3 s TYR 164 CO 0.70 -1.33 0.85 -3.47 -1.11 0.00 0.00 175.55 171.19 1yr3 n ASP 165 N 5.57 0.47 0.11 2.29 2.03 -0.56 -4.82 116.55 121.64 1yr3 n ASP 165 Ca 0.25 0.45 -0.01 0.00 0.52 0.00 0.00 54.79 56.00 1yr3 n ASP 165 Cb 0.46 -0.41 0.27 0.00 -0.72 0.00 0.00 41.12 40.73 1yr3 n ASP 165 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yr3 h ALA 166 N 3.13 1.22 -0.13 -1.67 0.00 -1.90 -1.88 119.26 118.02 1yr3 h ALA 166 Ca -0.14 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1yr3 h ALA 166 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1yr3 h ALA 166 CO 0.48 0.53 -0.21 1.49 0.00 0.00 0.00 179.25 181.53 1yr3 h GLU 167 N 0.19 0.38 -0.26 0.00 4.81 -1.98 -2.31 114.58 115.40 1yr3 h GLU 167 Ca 0.02 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1yr3 h GLU 167 Cb 0.70 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1yr3 h GLU 167 CO 0.05 0.82 -0.13 1.88 -0.73 0.00 0.00 179.01 180.90 1yr3 h TYR 168 N -0.02 0.47 -0.44 0.92 0.99 -1.92 -1.94 116.97 115.02 1yr3 h TYR 168 Ca 0.01 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1yr3 h TYR 168 Cb 0.79 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 38.37 1yr3 h TYR 168 CO 0.10 0.55 0.16 0.00 -0.00 0.00 0.00 178.16 178.97 1yr3 h ARG 169 N 0.41 0.64 -0.47 4.88 3.08 -1.21 -1.83 114.38 119.87 1yr3 h ARG 169 Ca 0.08 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1yr3 h ARG 169 Cb 0.47 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1yr3 h ARG 169 CO 0.03 0.54 0.07 0.00 -1.07 0.00 0.00 179.97 179.54 1yr3 h ALA 170 N 1.55 1.23 -0.18 0.04 0.00 -0.77 -1.64 119.26 119.48 1yr3 h ALA 170 Ca 0.15 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1yr3 h ALA 170 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yr3 h ALA 170 CO -0.01 0.52 -0.43 -0.07 0.00 0.00 0.00 179.25 179.26 1yr3 h LEU 171 N 0.71 0.45 -0.80 0.00 4.07 -1.22 -2.54 115.31 115.99 1yr3 h LEU 171 Ca 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1yr3 h LEU 171 Cb 0.34 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 1yr3 h LEU 171 CO 0.01 0.83 0.45 -0.07 -1.08 0.00 0.00 178.44 178.57 1yr3 h LEU 172 N 0.35 0.99 -0.16 1.67 4.07 -0.56 -1.65 115.31 120.01 1yr3 h LEU 172 Ca 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1yr3 h LEU 172 Cb 0.90 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 1yr3 h LEU 172 CO 0.08 0.79 0.10 1.56 -1.08 0.00 0.00 178.44 179.89 1yr3 h GLN 173 N 1.10 0.21 0.36 1.13 1.08 -0.93 -1.64 115.11 116.43 1yr3 h GLN 173 Ca 0.28 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1yr3 h GLN 173 Cb 0.01 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1yr3 h GLN 173 CO -0.05 0.16 -0.38 0.87 -0.95 0.00 0.00 178.83 178.47 1yr3 h LYS 174 N 0.20 -0.75 -1.03 1.46 1.57 -1.14 -0.86 116.57 116.02 1yr3 h LYS 174 Ca 0.06 0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.16 1yr3 h LYS 174 Cb -0.01 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.35 1yr3 h LYS 174 CO -0.01 -0.50 0.63 0.28 -0.57 0.00 0.00 179.45 179.28 1yr3 h VAL 175 N -0.78 0.47 -0.39 0.50 2.07 -1.19 0.63 116.25 117.56 1yr3 h VAL 175 Ca -0.03 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1yr3 h VAL 175 Cb 0.70 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1yr3 h VAL 175 CO -0.08 0.08 -0.23 0.00 0.02 0.00 0.00 177.57 177.37 1yr3 h ALA 176 N 1.71 0.56 0.55 1.67 0.00 -0.27 -2.17 119.26 121.31 1yr3 h ALA 176 Ca 0.66 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1yr3 h ALA 176 Cb 1.46 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1yr3 h ALA 176 CO -0.45 0.54 -0.27 0.87 0.00 0.00 0.00 179.25 179.95 1yr3 h LYS 177 N 0.66 -0.72 -0.99 0.00 1.57 0.38 -2.41 116.57 115.06 1yr3 h LYS 177 Ca 0.08 0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.19 1yr3 h LYS 177 Cb 0.79 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 1yr3 h LYS 177 CO 0.06 -0.48 0.70 0.93 -0.57 0.00 0.00 179.45 180.10 1yr3 h GLU 178 N -0.74 0.07 -0.26 3.15 5.08 -1.08 -0.95 114.58 119.84 1yr3 h GLU 178 Ca -0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1yr3 h GLU 178 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1yr3 h GLU 178 CO 0.12 0.04 0.00 0.39 -1.00 0.00 0.00 179.01 178.56 1yr3 n GLU 179 N -4.30 2.42 -2.62 2.33 -0.58 -0.82 -5.00 120.64 112.07 1yr3 n GLU 179 Ca 0.21 -2.15 -0.08 0.00 -0.42 0.00 0.00 57.16 54.72 1yr3 n GLU 179 Cb 1.02 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 30.43 1yr3 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yr3 n GLY 180 N 1.43 -0.53 3.61 0.62 0.00 -0.36 -5.06 105.19 104.90 1yr3 n GLY 180 Ca 0.17 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 1yr3 n GLY 180 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yr3 s PHE 181 N -3.21 -0.51 0.38 1.61 -0.12 -1.09 -5.08 117.98 109.96 1yr3 s PHE 181 Ca 0.25 1.11 -0.25 0.00 -0.05 0.00 0.00 56.93 57.98 1yr3 s PHE 181 Cb -0.03 0.38 -0.09 0.00 -0.63 0.00 0.00 43.02 42.65 1yr3 s PHE 181 CO 0.48 -0.33 1.06 -2.14 -0.05 0.00 0.00 175.22 174.24 1yr3 s PRO 182 N -0.31 4.24 -0.52 1.99 0.02 -1.26 -4.40 135.00 134.77 1yr3 s PRO 182 Ca -0.00 1.56 0.04 0.00 0.02 0.00 0.00 61.00 62.62 1yr3 s PRO 182 Cb -0.03 -2.65 0.17 0.00 0.02 0.00 0.00 34.50 32.01 1yr3 s PRO 182 CO -0.01 -0.08 0.39 -1.17 -0.33 0.00 0.00 177.00 175.80 1yr3 s LEU 183 N -2.44 2.68 0.46 -5.54 2.96 -1.26 -4.53 118.68 111.01 1yr3 s LEU 183 Ca 0.55 -3.34 -0.23 0.00 -0.22 0.00 0.00 54.13 50.90 1yr3 s LEU 183 Cb -0.24 -0.89 -0.07 0.00 0.50 0.00 0.00 46.19 45.50 1yr3 s LEU 183 CO 0.30 -0.14 1.17 0.28 -1.32 0.00 0.00 176.35 176.64 1yr3 s THR 184 N -0.48 3.07 -0.10 3.68 -1.32 -1.25 -4.73 115.64 114.52 1yr3 s THR 184 Ca 0.29 0.80 -0.01 0.00 -1.21 0.00 0.00 61.69 61.56 1yr3 s THR 184 Cb -0.00 -3.40 -0.03 0.00 -1.51 0.00 0.00 72.50 67.56 1yr3 s THR 184 CO -0.18 -0.01 -0.03 -1.61 -2.21 0.00 0.00 174.62 170.57 1yr3 s GLU 185 N -2.72 3.07 0.18 7.08 2.02 -1.26 -1.11 118.70 125.96 1yr3 s GLU 185 Ca 0.64 -0.49 -0.09 0.00 0.02 0.00 0.00 54.97 55.05 1yr3 s GLU 185 Cb -0.29 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 1yr3 s GLU 185 CO 0.35 0.57 0.30 0.20 0.02 0.00 0.00 175.26 176.69 1yr3 s GLY 186 N -0.53 0.58 -0.14 -1.39 0.00 -1.00 -4.92 107.32 99.91 1yr3 s GLY 186 Ca 0.08 -0.96 -0.24 0.00 0.00 0.00 0.00 44.72 43.60 1yr3 s GLY 186 CO 0.02 -0.86 0.78 0.14 0.00 0.00 0.00 173.10 173.18 1yr3 s VAL 187 N -3.99 4.94 -0.18 1.40 1.01 -1.26 -1.08 120.40 121.25 1yr3 s VAL 187 Ca 0.20 1.54 -0.14 0.00 0.00 0.00 0.00 61.98 63.58 1yr3 s VAL 187 Cb 0.03 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1yr3 s VAL 187 CO 0.02 0.10 0.29 0.12 0.00 0.00 0.00 175.10 175.63 1yr3 s PHE 188 N 1.73 3.43 -0.08 5.22 5.36 -0.17 -0.86 117.98 132.61 1yr3 s PHE 188 Ca 0.37 0.55 0.02 0.00 -0.96 0.00 0.00 56.93 56.92 1yr3 s PHE 188 Cb -0.17 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1yr3 s PHE 188 CO 0.14 0.18 -0.14 0.14 -1.46 0.00 0.00 175.22 174.08 1yr3 s VAL 189 N 0.66 3.00 0.09 3.12 -7.23 0.66 0.08 120.40 120.79 1yr3 s VAL 189 Ca 0.16 -0.72 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 1yr3 s VAL 189 Cb -0.13 -2.20 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 1yr3 s VAL 189 CO 0.04 0.56 0.48 -0.94 -0.31 0.00 0.00 175.10 174.94 1yr3 s SER 190 N -0.28 6.80 0.00 4.85 1.04 -0.73 -2.45 113.70 122.94 1yr3 s SER 190 Ca 0.02 0.99 0.08 0.00 0.48 0.00 0.00 55.95 57.52 1yr3 s SER 190 Cb -0.13 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 1yr3 s SER 190 CO 0.03 0.18 -0.25 -0.47 0.98 0.00 0.00 173.24 173.71 1yr3 s TYR 191 N -1.33 2.25 0.16 5.02 5.04 0.07 -2.96 117.35 125.59 1yr3 s TYR 191 Ca 0.33 -0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 54.41 1yr3 s TYR 191 Cb -0.15 -1.41 0.04 0.00 0.35 0.00 0.00 41.96 40.78 1yr3 s TYR 191 CO 0.18 0.02 1.66 -1.00 -1.34 0.00 0.00 175.55 175.07 1yr3 h PRO 192 N 5.25 0.84 0.00 4.97 0.13 -1.87 -3.38 132.00 137.94 1yr3 h PRO 192 Ca -0.44 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1yr3 h PRO 192 Cb 1.13 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1yr3 h PRO 192 CO 0.46 0.80 0.00 0.41 -0.23 0.00 0.00 178.00 179.44 1yr3 n GLY 193 N -0.61 -1.39 0.00 1.56 0.00 -1.26 -3.72 105.19 99.76 1yr3 n GLY 193 Ca 0.02 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 44.90 1yr3 n GLY 193 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yr3 n PRO 194 N -0.12 0.37 -1.72 1.61 -0.04 -1.26 -4.86 135.00 128.99 1yr3 n PRO 194 Ca 0.00 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 1yr3 n PRO 194 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1yr3 n PRO 194 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1yr3 s ASN 195 N -2.61 5.76 0.74 3.54 4.22 -1.26 -5.05 114.94 120.28 1yr3 s ASN 195 Ca 0.26 1.51 -0.09 0.00 -2.14 0.00 0.00 52.86 52.40 1yr3 s ASN 195 Cb 0.19 -2.46 0.06 0.00 1.28 0.00 0.00 41.25 40.32 1yr3 s ASN 195 CO 0.45 -1.18 1.08 -0.36 -2.04 0.00 0.00 177.10 175.04 1yr3 s PHE 196 N -3.12 2.98 0.63 1.54 0.08 -1.26 -4.99 117.98 113.85 1yr3 s PHE 196 Ca 0.57 0.61 -0.15 0.00 0.12 0.00 0.00 56.93 58.08 1yr3 s PHE 196 Cb -0.13 -3.27 -0.02 0.00 -0.57 0.00 0.00 43.02 39.04 1yr3 s PHE 196 CO 0.54 -1.49 1.08 -1.21 -0.10 0.00 0.00 175.22 174.05 1yr3 s GLU 197 N -5.36 3.04 0.34 0.44 8.01 -1.26 -5.02 118.70 118.88 1yr3 s GLU 197 Ca 0.60 1.28 -0.13 0.00 0.01 0.00 0.00 54.97 56.73 1yr3 s GLU 197 Cb -0.11 -1.99 -0.08 0.00 -4.31 0.00 0.00 34.13 27.64 1yr3 s GLU 197 CO 0.47 -1.05 0.73 0.95 0.01 0.00 0.00 175.26 176.37 1yr3 s THR 198 N -2.43 4.74 0.21 3.63 -4.23 -1.26 -4.73 115.64 111.57 1yr3 s THR 198 Ca 0.65 0.78 -0.10 0.00 -1.18 0.00 0.00 61.69 61.84 1yr3 s THR 198 Cb -0.18 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.19 1yr3 s THR 198 CO 0.40 -0.29 1.68 0.00 -0.54 0.00 0.00 174.62 175.87 1yr3 h ALA 199 N 1.92 0.67 -0.63 3.99 0.00 -1.97 0.78 119.26 124.02 1yr3 h ALA 199 Ca -0.48 0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1yr3 h ALA 199 Cb 1.18 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 1yr3 h ALA 199 CO 0.65 -0.36 0.18 0.00 0.00 0.00 0.00 179.25 179.72 1yr3 h ALA 200 N 1.53 0.79 -0.49 0.00 0.00 -1.93 -1.24 119.26 117.93 1yr3 h ALA 200 Ca 0.32 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 1yr3 h ALA 200 Cb 0.51 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1yr3 h ALA 200 CO -0.47 -0.27 -0.08 0.93 0.00 0.00 0.00 179.25 179.36 1yr3 h GLU 201 N 0.32 0.87 -0.48 0.00 5.08 -1.30 -2.36 114.58 116.71 1yr3 h GLU 201 Ca 0.33 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1yr3 h GLU 201 Cb 0.49 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1yr3 h GLU 201 CO -0.39 0.92 0.31 0.82 -1.00 0.00 0.00 179.01 179.67 1yr3 h ILE 202 N 0.79 1.13 -0.84 3.13 1.08 0.06 0.12 117.51 122.99 1yr3 h ILE 202 Ca 0.14 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1yr3 h ILE 202 Cb 0.58 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 1yr3 h ILE 202 CO 0.04 0.13 0.54 0.03 -0.69 0.00 0.00 178.15 178.20 1yr3 h ARG 203 N 0.64 1.02 -0.41 2.37 3.08 -1.19 0.10 114.38 119.99 1yr3 h ARG 203 Ca 0.17 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1yr3 h ARG 203 Cb -0.05 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 1yr3 h ARG 203 CO -0.04 0.67 0.23 1.98 -1.07 0.00 0.00 179.97 181.75 1yr3 h MET 204 N 1.05 0.55 -0.06 0.04 4.05 -0.72 0.12 114.93 119.96 1yr3 h MET 204 Ca 0.34 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.56 1yr3 h MET 204 Cb 0.01 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 1yr3 h MET 204 CO -0.12 0.40 -0.62 0.52 0.23 0.00 0.00 176.91 177.32 1yr3 h MET 205 N 0.56 0.20 -0.35 0.39 2.86 0.15 -1.05 114.93 117.69 1yr3 h MET 205 Ca 0.15 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1yr3 h MET 205 Cb 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1yr3 h MET 205 CO -0.03 0.76 -0.08 1.96 1.06 0.00 0.00 176.91 180.58 1yr3 h GLN 206 N 0.15 0.68 -0.69 1.72 4.20 0.55 -0.49 115.11 121.22 1yr3 h GLN 206 Ca -0.01 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1yr3 h GLN 206 Cb 1.13 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 1yr3 h GLN 206 CO 0.09 0.84 0.25 0.82 -0.67 0.00 0.00 178.83 180.16 1yr3 h ILE 207 N 0.47 1.25 0.00 2.54 2.04 -0.89 -1.51 117.51 121.41 1yr3 h ILE 207 Ca 0.09 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1yr3 h ILE 207 Cb 0.58 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1yr3 h ILE 207 CO 0.03 0.32 0.00 0.40 0.00 0.00 0.00 178.15 178.91 1yr3 h ILE 208 N 1.00 0.00 0.00 -0.67 5.03 -1.10 -3.46 117.51 118.31 1yr3 h ILE 208 Ca 0.23 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.84 1yr3 h ILE 208 Cb 0.25 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1yr3 h ILE 208 CO -0.01 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.07 1yr3 n GLY 209 N -0.76 1.73 3.93 5.37 0.00 -0.57 -5.08 105.19 109.81 1yr3 n GLY 209 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1yr3 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yr3 s GLY 210 N -2.00 1.67 -0.03 -0.02 0.00 -0.22 -4.79 107.32 101.92 1yr3 s GLY 210 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.68 1yr3 s GLY 210 CO 0.00 -1.07 0.02 1.22 0.00 0.00 0.00 173.10 173.27 1yr3 n ASP 211 N -0.59 4.09 -3.96 1.64 8.00 -0.04 -4.59 116.55 121.09 1yr3 n ASP 211 Ca -0.07 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.28 1yr3 n ASP 211 Cb 0.54 0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 42.13 1yr3 n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yr3 s VAL 212 N -2.10 0.34 -0.04 2.53 1.01 -0.68 -0.62 120.40 120.83 1yr3 s VAL 212 Ca -0.02 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1yr3 s VAL 212 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1yr3 s VAL 212 CO 0.15 0.00 -0.20 0.54 0.00 0.00 0.00 175.10 175.60 1yr3 s VAL 213 N -0.32 1.61 0.30 2.92 0.11 -0.67 -0.24 120.40 124.12 1yr3 s VAL 213 Ca -0.01 -0.82 -0.13 0.00 -2.93 0.00 0.00 61.98 58.09 1yr3 s VAL 213 Cb -0.03 -1.37 0.02 0.00 -1.53 0.00 0.00 36.38 33.46 1yr3 s VAL 213 CO -0.00 0.46 0.60 -0.83 -3.33 0.00 0.00 175.10 172.00 1yr3 s GLY 214 N -0.06 0.55 -0.15 6.54 0.00 -1.02 -1.15 107.32 112.02 1yr3 s GLY 214 Ca -0.03 -0.85 0.16 0.00 0.00 0.00 0.00 44.72 44.00 1yr3 s GLY 214 CO 0.02 -0.51 1.57 1.03 0.00 0.00 0.00 173.10 175.21 1yr3 n MET 215 N -0.47 3.74 0.00 2.90 2.81 -1.26 -0.75 117.12 124.09 1yr3 n MET 215 Ca -0.03 -2.86 0.00 0.00 -1.81 0.00 0.00 57.70 53.00 1yr3 n MET 215 Cb 0.61 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1yr3 n MET 215 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1yr3 n SER 216 N 0.54 0.09 0.00 7.83 3.41 -1.26 -4.49 113.62 119.73 1yr3 n SER 216 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1yr3 n SER 216 Cb 0.92 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1yr3 n SER 216 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1yr3 n VAL 217 N 0.00 0.00 -0.35 -3.33 0.31 -1.26 -4.37 118.33 109.33 1yr3 n VAL 217 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1yr3 n VAL 217 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1yr3 n VAL 217 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1yr3 n VAL 218 N 0.00 -0.51 -0.02 2.52 0.31 -1.26 -1.37 118.33 118.00 1yr3 n VAL 218 Ca 0.00 2.08 -0.09 0.00 -0.01 0.00 0.00 64.34 66.32 1yr3 n VAL 218 Cb 0.00 -2.69 -0.03 0.00 -0.91 0.00 0.00 33.84 30.21 1yr3 n VAL 218 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1yr3 h PRO 219 N 0.00 -0.31 0.43 5.55 0.11 -1.88 -1.35 132.00 134.54 1yr3 h PRO 219 Ca 0.25 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1yr3 h PRO 219 Cb 0.47 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1yr3 h PRO 219 CO -0.86 -0.21 -0.37 0.93 -0.21 0.00 0.00 178.00 177.28 1yr3 h GLU 220 N -0.33 -0.77 -0.17 1.05 3.07 -1.56 -2.46 114.58 113.41 1yr3 h GLU 220 Ca 0.12 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.07 1yr3 h GLU 220 Cb 0.51 0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.54 1yr3 h GLU 220 CO -0.37 -0.52 -0.14 0.28 -1.40 0.00 0.00 179.01 176.86 1yr3 h VAL 221 N -0.80 0.60 -0.65 3.13 2.07 -1.10 0.19 116.25 119.69 1yr3 h VAL 221 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1yr3 h VAL 221 Cb 0.70 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1yr3 h VAL 221 CO -0.03 0.00 0.37 0.40 0.02 0.00 0.00 177.57 178.33 1yr3 h ILE 222 N -0.16 1.19 -0.53 4.57 2.04 -1.25 0.41 117.51 123.79 1yr3 h ILE 222 Ca 0.11 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1yr3 h ILE 222 Cb 0.32 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1yr3 h ILE 222 CO -0.26 0.20 0.02 0.28 0.00 0.00 0.00 178.15 178.39 1yr3 h SER 223 N 0.89 0.90 0.15 1.72 0.02 -0.89 -1.53 113.55 114.81 1yr3 h SER 223 Ca 0.23 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1yr3 h SER 223 Cb -0.01 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1yr3 h SER 223 CO -0.04 0.98 -0.10 0.00 -1.14 0.00 0.00 176.83 176.53 1yr3 h ALA 224 N 0.96 -0.24 -0.76 3.77 0.00 0.50 -2.57 119.26 120.91 1yr3 h ALA 224 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1yr3 h ALA 224 Cb 0.50 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1yr3 h ALA 224 CO 0.02 -0.64 0.50 0.00 0.00 0.00 0.00 179.25 179.13 1yr3 h ARG 225 N -0.25 0.97 -0.63 0.00 2.47 -0.83 -0.75 114.38 115.36 1yr3 h ARG 225 Ca -0.01 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1yr3 h ARG 225 Cb 0.22 -0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1yr3 h ARG 225 CO 0.01 0.64 0.39 1.25 0.56 0.00 0.00 179.97 182.82 1yr3 h HIS 226 N 1.00 0.74 -0.39 3.04 2.76 -0.89 -1.14 115.15 120.26 1yr3 h HIS 226 Ca 0.29 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1yr3 h HIS 226 Cb -0.07 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.65 1yr3 h HIS 226 CO -0.00 0.43 0.00 0.00 -1.30 0.00 0.00 177.93 177.06 1yr3 n ASP 228 N 0.50 -6.80 -3.96 0.00 2.03 -0.43 -4.93 116.55 102.96 1yr3 n ASP 228 Ca 0.17 -0.53 -0.30 0.00 0.52 0.00 0.00 54.79 54.65 1yr3 n ASP 228 Cb 0.77 -4.80 -0.16 0.00 -0.72 0.00 0.00 41.12 36.20 1yr3 n ASP 228 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1yr3 s LEU 229 N -5.01 2.06 0.33 -2.67 0.20 -0.34 -5.01 118.68 108.24 1yr3 s LEU 229 Ca 0.27 -0.81 -0.29 0.00 0.69 0.00 0.00 54.13 53.99 1yr3 s LEU 229 Cb -0.05 -1.13 -0.12 0.00 -0.43 0.00 0.00 46.19 44.46 1yr3 s LEU 229 CO 0.77 -0.16 1.36 0.29 -0.29 0.00 0.00 176.35 178.32 1yr3 n LYS 230 N 4.75 2.24 -4.46 1.98 5.02 -1.26 -4.11 118.16 122.31 1yr3 n LYS 230 Ca -0.14 0.79 -0.30 0.00 -2.02 0.00 0.00 58.31 56.64 1yr3 n LYS 230 Cb 0.47 -2.41 -0.12 0.00 -0.02 0.00 0.00 35.03 32.94 1yr3 n LYS 230 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yr3 s VAL 231 N -0.87 2.64 -0.07 -0.18 1.01 -1.24 -0.48 120.40 121.21 1yr3 s VAL 231 Ca 0.57 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1yr3 s VAL 231 Cb -0.56 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1yr3 s VAL 231 CO 0.60 0.18 0.14 -0.69 0.00 0.00 0.00 175.10 175.32 1yr3 s VAL 232 N -1.04 -0.15 0.01 2.92 1.01 -0.04 -1.49 120.40 121.61 1yr3 s VAL 232 Ca 0.16 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1yr3 s VAL 232 Cb -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1yr3 s VAL 232 CO 0.07 0.12 -0.09 0.00 0.00 0.00 0.00 175.10 175.20 1yr3 s ALA 233 N 1.72 0.73 -0.06 5.51 0.00 -1.26 0.65 121.76 129.05 1yr3 s ALA 233 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1yr3 s ALA 233 Cb -0.12 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1yr3 s ALA 233 CO -0.05 0.14 -0.00 0.08 0.00 0.00 0.00 175.76 175.92 1yr3 s VAL 234 N -0.50 0.33 0.02 0.00 1.01 -0.36 -1.89 120.40 119.02 1yr3 s VAL 234 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1yr3 s VAL 234 Cb -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1yr3 s VAL 234 CO 0.00 0.23 0.21 -0.44 0.00 0.00 0.00 175.10 175.10 1yr3 s SER 235 N 1.61 6.39 -0.38 3.32 0.01 0.67 -2.83 113.70 122.49 1yr3 s SER 235 Ca -0.01 0.37 -0.07 0.00 1.31 0.00 0.00 55.95 57.55 1yr3 s SER 235 Cb -0.13 -2.01 0.07 0.00 0.21 0.00 0.00 66.02 64.16 1yr3 s SER 235 CO -0.03 0.23 0.19 0.00 0.41 0.00 0.00 173.24 174.03 1yr3 s ALA 236 N -1.39 3.17 0.22 1.44 0.00 0.03 -1.11 121.76 124.13 1yr3 s ALA 236 Ca 0.30 -2.03 -0.31 0.00 0.00 0.00 0.00 51.96 49.92 1yr3 s ALA 236 Cb -0.13 -2.47 -0.11 0.00 0.00 0.00 0.00 23.12 20.42 1yr3 s ALA 236 CO 0.21 -1.54 1.56 0.42 0.00 0.00 0.00 175.76 176.41 1yr3 s ILE 237 N 1.38 2.44 -0.03 0.00 -1.09 -0.16 -1.95 121.20 121.79 1yr3 s ILE 237 Ca 0.02 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1yr3 s ILE 237 Cb -0.22 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1yr3 s ILE 237 CO 0.02 0.04 0.77 0.35 -1.23 0.00 0.00 174.94 174.88 1yr3 n THR 238 N 3.11 0.52 0.00 2.92 -2.24 0.11 -1.28 114.28 117.41 1yr3 n THR 238 Ca 0.11 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1yr3 n THR 238 Cb 0.38 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1yr3 n THR 238 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1yr3 n ASN 239 N -0.24 0.00 -4.84 3.42 6.94 -1.26 -4.77 115.26 114.51 1yr3 n ASN 239 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 1yr3 n ASN 239 Cb 0.13 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.50 1yr3 n ASN 239 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1yr3 s MET 240 N -2.00 4.04 0.95 -3.83 -1.94 -1.26 -1.22 119.30 114.04 1yr3 s MET 240 Ca 0.00 0.86 -0.10 0.00 -1.71 0.00 0.00 55.69 54.73 1yr3 s MET 240 Cb 0.00 -2.28 0.17 0.00 2.01 0.00 0.00 34.83 34.73 1yr3 s MET 240 CO 0.00 -0.02 1.13 0.00 -0.01 0.00 0.00 175.02 176.12 1yr3 s ALA 241 N -2.23 1.19 0.05 3.03 0.00 0.11 -4.68 121.76 119.24 1yr3 s ALA 241 Ca 0.57 0.50 -0.35 0.00 0.00 0.00 0.00 51.96 52.68 1yr3 s ALA 241 Cb -0.10 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 1yr3 s ALA 241 CO 0.20 -2.93 1.61 -1.91 0.00 0.00 0.00 175.76 172.74 1yr3 n GLU 242 N -4.34 1.86 -0.29 0.00 4.07 -1.26 -2.38 120.64 118.30 1yr3 n GLU 242 Ca 0.11 0.68 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 1yr3 n GLU 242 Cb 0.52 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 1yr3 n GLU 242 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yr3 n GLY 243 N 3.53 0.74 0.96 8.31 0.00 -1.26 -4.23 105.19 113.24 1yr3 n GLY 243 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1yr3 n GLY 243 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yr3 n LEU 244 N 0.00 3.08 0.00 0.99 4.77 -1.00 -5.01 117.00 119.83 1yr3 n LEU 244 Ca 0.00 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 1yr3 n LEU 244 Cb 0.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1yr3 n LEU 244 CO 0.00 0.63 0.00 -1.54 -1.33 0.00 0.00 177.39 175.15 1yr3 n SER 245 N 1.24 0.00 -0.07 -1.43 3.41 -1.26 -5.00 113.62 110.51 1yr3 n SER 245 Ca 0.15 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.79 1yr3 n SER 245 Cb 0.54 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1yr3 n SER 245 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1yr3 n ASP 246 N 0.00 0.65 -4.75 4.04 5.75 -1.26 -5.04 116.55 115.93 1yr3 n ASP 246 Ca 0.00 -0.82 -0.41 0.00 -0.01 0.00 0.00 54.79 53.55 1yr3 n ASP 246 Cb 0.00 0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 40.69 1yr3 n ASP 246 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1yr3 s VAL 247 N -1.04 3.49 0.16 2.12 1.01 -1.26 -5.03 120.40 119.83 1yr3 s VAL 247 Ca 0.03 1.37 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 1yr3 s VAL 247 Cb 0.04 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1yr3 s VAL 247 CO 0.14 0.28 0.73 -0.75 0.00 0.00 0.00 175.10 175.49 1yr3 s LYS 248 N -0.91 4.45 -0.13 2.72 2.20 -1.26 -4.94 119.74 121.88 1yr3 s LYS 248 Ca 0.49 1.03 -0.15 0.00 -0.36 0.00 0.00 55.97 56.98 1yr3 s LYS 248 Cb -0.33 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1yr3 s LYS 248 CO 0.40 0.56 0.36 -0.51 -0.36 0.00 0.00 175.35 175.79 1yr3 s LEU 249 N -1.26 4.28 0.15 5.43 1.43 -1.26 -4.94 118.68 122.51 1yr3 s LEU 249 Ca 0.35 0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 1yr3 s LEU 249 Cb -0.21 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.55 1yr3 s LEU 249 CO 0.24 0.10 0.44 -0.94 0.23 0.00 0.00 176.35 176.42 1yr3 s SER 250 N 0.33 -0.23 0.29 2.29 1.04 -1.26 -5.01 113.70 111.15 1yr3 s SER 250 Ca 0.20 -0.41 0.09 0.00 0.48 0.00 0.00 55.95 56.31 1yr3 s SER 250 Cb -0.14 0.51 0.44 0.00 0.10 0.00 0.00 66.02 66.93 1yr3 s SER 250 CO 0.07 -0.93 1.67 -0.74 0.98 0.00 0.00 173.24 174.28 1yr3 h HIS 251 N 2.31 0.10 -0.59 5.02 2.76 -1.99 -2.42 115.15 120.34 1yr3 h HIS 251 Ca -0.32 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.77 1yr3 h HIS 251 Cb 1.26 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 1yr3 h HIS 251 CO 0.34 0.59 0.18 0.00 -1.30 0.00 0.00 177.93 177.74 1yr3 h ALA 252 N 1.41 1.21 -0.49 5.26 0.00 -2.00 -1.01 119.26 123.64 1yr3 h ALA 252 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1yr3 h ALA 252 Cb 0.95 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1yr3 h ALA 252 CO 0.07 0.56 -0.07 0.37 0.00 0.00 0.00 179.25 180.17 1yr3 h GLN 253 N 0.86 0.92 0.80 0.00 5.75 -1.84 -2.37 115.11 119.23 1yr3 h GLN 253 Ca 0.19 -0.33 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 1yr3 h GLN 253 Cb 0.26 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.75 1yr3 h GLN 253 CO -0.01 0.98 -0.38 1.15 -2.65 0.00 0.00 178.83 177.92 1yr3 h THR 254 N 0.77 0.21 -0.82 2.39 2.02 -0.94 0.72 112.91 117.26 1yr3 h THR 254 Ca 0.13 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.40 1yr3 h THR 254 Cb 0.62 0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 1yr3 h THR 254 CO 0.04 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.32 1yr3 h LEU 255 N -1.09 0.63 0.04 2.58 3.38 -1.24 -2.37 115.31 117.24 1yr3 h LEU 255 Ca -0.11 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1yr3 h LEU 255 Cb 0.83 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1yr3 h LEU 255 CO 0.18 0.34 -0.02 0.00 0.09 0.00 0.00 178.44 179.03 1yr3 h ALA 256 N 1.47 -0.06 0.00 1.53 0.00 -1.33 -3.21 119.26 117.66 1yr3 h ALA 256 Ca 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1yr3 h ALA 256 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yr3 h ALA 256 CO -0.27 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.64 1yr3 n ALA 257 N -2.32 1.88 1.12 0.00 0.00 0.24 -2.37 120.51 119.06 1yr3 n ALA 257 Ca -0.08 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.38 1yr3 n ALA 257 Cb 0.21 -1.23 0.32 0.00 0.00 0.00 0.00 19.45 18.76 1yr3 n ALA 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yr3 n ALA 258 N -1.19 2.50 0.35 0.00 0.00 -0.92 -3.80 120.51 117.45 1yr3 n ALA 258 Ca 0.08 -0.56 0.11 0.00 0.00 0.00 0.00 53.44 53.07 1yr3 n ALA 258 Cb 0.09 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1yr3 n ALA 258 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yr3 n GLU 259 N 0.40 0.43 0.03 0.00 4.07 -1.00 -3.21 120.64 121.36 1yr3 n GLU 259 Ca 0.15 -0.04 -0.14 0.00 -0.06 0.00 0.00 57.16 57.07 1yr3 n GLU 259 Cb 0.33 -1.60 -0.03 0.00 -0.06 0.00 0.00 31.44 30.08 1yr3 n GLU 259 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1yr3 h LEU 260 N 0.00 0.69 -0.96 4.31 3.38 -1.78 -3.28 115.31 117.67 1yr3 h LEU 260 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1yr3 h LEU 260 Cb 0.84 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1yr3 h LEU 260 CO 0.00 1.26 -0.42 -1.54 0.09 0.00 0.00 178.44 177.83 1yr3 n SER 261 N -3.85 1.92 -0.26 -0.43 3.41 -1.26 -4.55 113.62 108.60 1yr3 n SER 261 Ca -0.07 -1.44 0.05 0.00 -0.26 0.00 0.00 58.87 57.15 1yr3 n SER 261 Cb 0.77 0.40 0.18 0.00 -0.26 0.00 0.00 64.21 65.31 1yr3 n SER 261 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1yr3 h LYS 262 N 2.34 0.52 -0.16 4.33 3.64 -1.61 0.48 116.57 126.11 1yr3 h LYS 262 Ca 0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1yr3 h LYS 262 Cb 0.73 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1yr3 h LYS 262 CO 0.00 0.34 -0.04 0.37 -2.27 0.00 0.00 179.45 177.85 1yr3 h GLN 263 N 0.53 0.31 -0.74 1.90 5.75 -1.80 -2.00 115.11 119.07 1yr3 h GLN 263 Ca 0.41 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 1yr3 h GLN 263 Cb 0.56 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 1yr3 h GLN 263 CO -0.36 0.59 0.42 -0.91 -2.65 0.00 0.00 178.83 175.93 1yr3 h ASN 264 N 0.01 0.90 0.03 -0.69 2.35 -1.75 -1.77 115.58 114.65 1yr3 h ASN 264 Ca 0.04 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1yr3 h ASN 264 Cb 0.48 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1yr3 h ASN 264 CO 0.02 0.71 -0.01 0.15 -1.65 0.00 0.00 177.43 176.64 1yr3 h PHE 265 N 1.02 -0.04 -0.74 1.19 3.04 -0.72 0.16 116.94 120.86 1yr3 h PHE 265 Ca 0.26 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.22 1yr3 h PHE 265 Cb -0.01 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 1yr3 h PHE 265 CO 0.01 -0.02 0.49 0.82 -2.02 0.00 0.00 178.31 177.59 1yr3 h ILE 266 N -0.05 1.18 -0.36 1.41 2.04 -1.01 0.94 117.51 121.67 1yr3 h ILE 266 Ca -0.00 -0.34 -0.16 0.00 1.00 0.00 0.00 64.86 65.35 1yr3 h ILE 266 Cb 0.04 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1yr3 h ILE 266 CO 0.01 0.18 -0.41 0.78 0.00 0.00 0.00 178.15 178.71 1yr3 h ASN 267 N 0.99 0.96 -0.18 1.72 -0.26 -0.93 0.18 115.58 118.07 1yr3 h ASN 267 Ca 0.27 -0.45 -0.01 0.00 -0.56 0.00 0.00 56.30 55.55 1yr3 h ASN 267 Cb -0.10 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.88 1yr3 h ASN 267 CO -0.06 1.24 0.08 0.25 -1.06 0.00 0.00 177.43 177.88 1yr3 h LEU 268 N 0.73 0.25 0.69 1.61 5.85 0.13 0.21 115.31 124.77 1yr3 h LEU 268 Ca 0.05 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1yr3 h LEU 268 Cb 1.00 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1yr3 h LEU 268 CO 0.10 0.33 -0.33 0.40 -0.34 0.00 0.00 178.44 178.59 1yr3 h ILE 269 N 0.15 0.09 -0.18 4.05 2.04 -0.77 0.61 117.51 123.50 1yr3 h ILE 269 Ca 0.06 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1yr3 h ILE 269 Cb 0.15 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1yr3 h ILE 269 CO -0.01 0.01 0.27 0.00 0.00 0.00 0.00 178.15 178.43 1yr3 h GLY 271 N 0.00 0.30 0.70 0.00 0.00 -0.32 -2.90 103.07 100.85 1yr3 h GLY 271 Ca 0.09 -0.72 0.03 0.00 0.00 0.00 0.00 47.33 46.72 1yr3 h GLY 271 CO -0.00 0.63 -0.04 -2.75 0.00 0.00 0.00 176.54 174.38 1yr3 h PHE 272 N -0.45 -0.08 -0.80 5.60 3.57 0.12 -2.20 116.94 122.70 1yr3 h PHE 272 Ca -0.11 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.50 1yr3 h PHE 272 Cb 1.50 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 40.23 1yr3 h PHE 272 CO 0.21 -0.07 0.44 -0.07 -2.23 0.00 0.00 178.31 176.59 1yr3 h LEU 273 N -0.00 0.62 -1.34 0.59 4.07 -0.98 -1.66 115.31 116.62 1yr3 h LEU 273 Ca 0.07 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 1yr3 h LEU 273 Cb 0.11 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1yr3 h LEU 273 CO -0.15 0.36 -0.05 -0.09 -1.08 0.00 0.00 178.44 177.43 1yr3 h ARG 274 N 0.75 0.39 0.00 1.13 2.43 -1.19 0.62 114.38 118.50 1yr3 h ARG 274 Ca 0.39 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.34 1yr3 h ARG 274 Cb 0.36 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1yr3 h ARG 274 CO -0.25 0.45 -0.64 0.87 -1.51 0.00 0.00 179.97 178.89 1yr3 h LYS 275 N 0.37 0.00 0.00 0.20 1.57 -0.85 -3.25 116.57 114.61 1yr3 h LYS 275 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1yr3 h LYS 275 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1yr3 h LYS 275 CO 0.01 0.64 -1.10 0.97 -0.57 0.00 0.00 179.45 179.40 1yr3 h ILE 276 N 0.00 0.25 0.00 1.86 2.10 -1.04 -3.52 117.51 117.16 1yr3 h ILE 276 Ca -0.01 -1.47 0.00 0.00 1.08 0.00 0.00 64.86 64.46 1yr3 h ILE 276 Cb 1.40 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.91 1yr3 h ILE 276 CO 0.08 0.14 0.00 0.00 -1.08 0.00 0.00 178.15 177.29