#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnr s TYR 2 N 0.00 3.65 0.04 0.00 5.04 -1.26 -5.01 117.35 119.80 1rnr s TYR 2 Ca 0.00 0.74 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 1rnr s TYR 2 Cb 0.00 -2.10 -0.02 0.00 0.35 0.00 0.00 41.96 40.18 1rnr s TYR 2 CO 0.00 0.66 -0.06 -0.08 -1.34 0.00 0.00 175.55 174.73 1rnr s THR 3 N -1.13 0.40 -0.41 4.34 -1.32 -1.26 -5.02 115.64 111.24 1rnr s THR 3 Ca 0.22 -1.08 0.23 0.00 -1.21 0.00 0.00 61.69 59.85 1rnr s THR 3 Cb -0.14 -0.56 0.26 0.00 -1.51 0.00 0.00 72.50 70.55 1rnr s THR 3 CO 0.11 -0.46 1.50 0.71 -2.21 0.00 0.00 174.62 174.27 1rnr h THR 4 N 4.45 0.00 -2.38 5.08 1.35 -1.98 -3.41 112.91 116.03 1rnr h THR 4 Ca -0.35 -0.97 -0.43 0.00 -0.55 0.00 0.00 66.41 64.11 1rnr h THR 4 Cb 1.20 1.86 -0.36 0.00 -1.73 0.00 0.00 68.15 69.13 1rnr h THR 4 CO 0.42 0.00 -0.72 0.12 -0.25 0.00 0.00 175.52 175.10 1rnr s PHE 5 N -3.24 -0.03 0.07 4.73 5.36 -1.26 -4.82 117.98 118.79 1rnr s PHE 5 Ca 0.06 -0.69 -0.31 0.00 -0.96 0.00 0.00 56.93 55.03 1rnr s PHE 5 Cb 0.06 -0.65 -0.07 0.00 -0.34 0.00 0.00 43.02 42.03 1rnr s PHE 5 CO 0.69 -0.89 1.31 -1.54 -1.46 0.00 0.00 175.22 173.34 1rnr s SER 6 N 1.96 6.93 0.00 6.13 1.04 -1.26 -4.87 113.70 123.63 1rnr s SER 6 Ca 0.12 2.16 0.14 0.00 0.48 0.00 0.00 55.95 58.84 1rnr s SER 6 Cb -0.16 -2.58 0.82 0.00 0.10 0.00 0.00 66.02 64.20 1rnr s SER 6 CO -0.25 -0.59 1.26 0.00 0.98 0.00 0.00 173.24 174.64 1rnr n ALA 7 N 4.20 2.00 -2.72 5.32 0.00 -1.26 -4.76 120.51 123.28 1rnr n ALA 7 Ca 0.11 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1rnr n ALA 7 Cb 0.44 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1rnr n ALA 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rnr s THR 8 N -2.04 5.32 -0.41 0.00 2.01 -1.26 -5.03 115.64 114.23 1rnr s THR 8 Ca 0.20 0.46 -0.29 0.00 0.31 0.00 0.00 61.69 62.38 1rnr s THR 8 Cb 0.09 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 69.06 1rnr s THR 8 CO 0.16 0.53 1.40 -0.75 -0.69 0.00 0.00 174.62 175.27 1rnr s LYS 9 N -0.52 3.59 0.17 4.92 2.36 -1.26 -5.00 119.74 124.01 1rnr s LYS 9 Ca 0.17 0.94 0.07 0.00 -2.55 0.00 0.00 55.97 54.59 1rnr s LYS 9 Cb -0.13 -4.01 -0.04 0.00 -1.05 0.00 0.00 37.83 32.59 1rnr s LYS 9 CO 0.06 -1.54 -0.14 0.54 1.55 0.00 0.00 175.35 175.82 1rnr s ASN 10 N 3.83 2.27 -0.50 1.43 6.03 -1.26 -5.09 114.94 121.65 1rnr s ASN 10 Ca 0.61 -0.94 -0.22 0.00 -1.03 0.00 0.00 52.86 51.27 1rnr s ASN 10 Cb -0.14 -0.09 0.04 0.00 -3.03 0.00 0.00 41.25 38.03 1rnr s ASN 10 CO 0.32 -0.18 0.78 -0.62 -2.03 0.00 0.00 177.10 175.37 1rnr s ASP 11 N -2.98 6.32 0.52 3.54 -1.08 -1.26 -4.87 116.67 116.85 1rnr s ASP 11 Ca 0.17 -0.47 0.32 0.00 -0.52 0.00 0.00 52.55 52.05 1rnr s ASP 11 Cb -0.02 -2.37 1.32 0.00 -1.46 0.00 0.00 42.92 40.39 1rnr s ASP 11 CO 0.04 -1.01 1.95 1.56 0.52 0.00 0.00 175.17 178.23 1rnr h GLN 12 N 9.10 0.00 0.00 4.34 4.20 -1.97 -1.79 115.11 128.99 1rnr h GLN 12 Ca -0.26 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 1rnr h GLN 12 Cb 1.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1rnr h GLN 12 CO 1.00 0.00 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.93 1rnr h LEU 13 N 0.00 0.00 -2.07 1.46 3.38 -1.95 -3.20 115.31 112.94 1rnr h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rnr h LEU 13 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1rnr h LEU 13 CO 0.00 0.17 0.00 0.29 0.09 0.00 0.00 178.44 178.99 1rnr n LYS 14 N -3.29 2.40 -2.61 1.13 4.01 -0.67 -4.79 118.16 114.33 1rnr n LYS 14 Ca 0.01 -2.06 -0.32 0.00 -0.51 0.00 0.00 58.31 55.42 1rnr n LYS 14 Cb 0.42 -1.48 -0.05 0.00 -0.51 0.00 0.00 35.03 33.41 1rnr n LYS 14 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1rnr s GLU 15 N -1.81 4.06 0.86 1.97 0.41 -1.21 -5.07 118.70 117.91 1rnr s GLU 15 Ca 0.32 1.00 -0.11 0.00 -0.41 0.00 0.00 54.97 55.77 1rnr s GLU 15 Cb 0.21 -2.17 0.10 0.00 -1.78 0.00 0.00 34.13 30.49 1rnr s GLU 15 CO 0.31 -0.15 1.09 -1.25 -0.49 0.00 0.00 175.26 174.77 1rnr s PRO 16 N -3.65 1.59 0.31 0.39 0.04 -1.26 -4.91 135.00 127.50 1rnr s PRO 16 Ca 0.60 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.62 1rnr s PRO 16 Cb -0.10 -1.84 0.61 0.00 0.04 0.00 0.00 34.50 33.22 1rnr s PRO 16 CO 0.23 -2.05 1.87 0.52 0.04 0.00 0.00 177.00 177.61 1rnr h MET 17 N -1.42 0.91 -4.69 4.56 2.86 -1.96 -3.36 114.93 111.83 1rnr h MET 17 Ca -0.47 -0.05 -0.29 0.00 -2.06 0.00 0.00 59.70 56.82 1rnr h MET 17 Cb 1.27 -0.21 -0.21 0.00 0.06 0.00 0.00 31.60 32.51 1rnr h MET 17 CO 0.53 0.60 -0.74 -0.06 1.06 0.00 0.00 176.91 178.30 1rnr s PHE 18 N -5.87 0.77 -1.50 -0.22 0.08 -1.26 -1.29 117.98 108.69 1rnr s PHE 18 Ca -0.11 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.41 1rnr s PHE 18 Cb 0.21 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 42.21 1rnr s PHE 18 CO 0.80 -0.07 0.00 1.19 -0.10 0.00 0.00 175.22 177.04 1rnr n PHE 19 N 1.32 0.00 -1.09 0.36 3.72 0.22 -4.81 117.46 117.18 1rnr n PHE 19 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1rnr n PHE 19 Cb 0.55 -2.78 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 1rnr n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rnr n GLY 20 N -0.48 1.24 3.76 1.37 0.00 -1.26 -5.03 105.19 104.79 1rnr n GLY 20 Ca -0.14 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1rnr n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rnr s GLN 21 N 2.26 4.37 0.25 1.61 0.74 -1.26 -4.83 119.66 122.80 1rnr s GLN 21 Ca 0.00 2.18 -0.30 0.00 0.05 0.00 0.00 55.36 57.29 1rnr s GLN 21 Cb 0.00 -3.10 -0.14 0.00 1.10 0.00 0.00 33.01 30.87 1rnr s GLN 21 CO 0.00 -0.19 1.24 -2.30 -0.55 0.00 0.00 175.29 173.48 1rnr n PRO 22 N 1.20 1.68 -1.85 1.67 -0.02 -1.26 -4.37 135.00 132.05 1rnr n PRO 22 Ca 0.01 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1rnr n PRO 22 Cb 0.42 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1rnr n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rnr s VAL 23 N -0.48 2.31 -0.03 -1.45 1.01 -1.26 -4.46 120.40 116.04 1rnr s VAL 23 Ca 0.65 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1rnr s VAL 23 Cb -0.70 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1rnr s VAL 23 CO 0.55 0.03 -0.06 0.00 0.00 0.00 0.00 175.10 175.61 1rnr n GLN 24 N 3.25 0.09 -2.68 2.72 3.00 -1.26 -4.50 117.38 117.99 1rnr n GLN 24 Ca 0.12 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.73 1rnr n GLN 24 Cb 0.38 -0.61 -0.04 0.00 0.00 0.00 0.00 30.24 29.97 1rnr n GLN 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1rnr s VAL 25 N -1.34 4.54 -0.58 5.09 1.01 -1.26 -4.95 120.40 122.91 1rnr s VAL 25 Ca -0.05 1.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.76 1rnr s VAL 25 Cb 0.01 -4.27 0.14 0.00 0.00 0.00 0.00 36.38 32.25 1rnr s VAL 25 CO 0.07 0.25 0.54 0.00 0.00 0.00 0.00 175.10 175.96 1rnr s ALA 26 N 0.40 3.70 0.10 5.51 0.00 -1.26 -4.84 121.76 125.36 1rnr s ALA 26 Ca 0.50 -2.63 0.06 0.00 0.00 0.00 0.00 51.96 49.89 1rnr s ALA 26 Cb -0.23 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1rnr s ALA 26 CO 0.30 -2.06 -0.08 -0.98 0.00 0.00 0.00 175.76 172.93 1rnr s ARG 27 N 1.45 2.23 -0.06 0.00 1.70 -1.26 -5.03 118.95 117.97 1rnr s ARG 27 Ca 0.05 -0.97 0.09 0.00 -0.47 0.00 0.00 55.73 54.44 1rnr s ARG 27 Cb -0.27 -2.36 0.14 0.00 -0.57 0.00 0.00 34.95 31.89 1rnr s ARG 27 CO 0.02 0.52 1.07 0.66 -1.08 0.00 0.00 175.30 176.49 1rnr n TYR 28 N 0.73 0.00 0.33 5.89 4.01 -1.26 -4.73 117.16 122.13 1rnr n TYR 28 Ca -0.13 -0.50 0.12 0.00 -0.16 0.00 0.00 57.90 57.23 1rnr n TYR 28 Cb 0.52 -0.10 0.16 0.00 -0.31 0.00 0.00 39.34 39.61 1rnr n TYR 28 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1rnr h ASP 29 N 0.00 0.00 -5.02 7.72 2.03 -2.04 -3.47 116.42 115.65 1rnr h ASP 29 Ca -0.00 -0.05 -0.11 0.00 -0.73 0.00 0.00 57.03 56.14 1rnr h ASP 29 Cb 1.20 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.51 1rnr h ASP 29 CO 0.00 0.03 -0.29 0.00 -1.03 0.00 0.00 179.24 177.95 1rnr s GLN 30 N -3.23 0.71 -0.08 4.15 -2.07 -1.26 -5.17 119.66 112.72 1rnr s GLN 30 Ca 0.05 -0.36 -0.09 0.00 -1.82 0.00 0.00 55.36 53.14 1rnr s GLN 30 Cb 0.09 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.35 1rnr s GLN 30 CO 0.71 -0.21 0.25 1.14 -1.32 0.00 0.00 175.29 175.85 1rnr s GLN 31 N -1.88 0.35 0.06 9.60 0.00 -1.26 -4.93 119.66 121.60 1rnr s GLN 31 Ca -0.10 0.22 -0.24 0.00 -0.00 0.00 0.00 55.36 55.24 1rnr s GLN 31 Cb -0.03 0.17 -0.17 0.00 0.00 0.00 0.00 33.01 32.98 1rnr s GLN 31 CO 0.01 -0.06 1.60 -0.22 0.00 0.00 0.00 175.29 176.62 1rnr h LYS 32 N 5.40 -0.04 -4.73 9.60 3.64 -1.87 -3.40 116.57 125.17 1rnr h LYS 32 Ca -0.27 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.45 1rnr h LYS 32 Cb 1.19 0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 32.64 1rnr h LYS 32 CO 0.36 0.10 -0.73 0.71 -2.27 0.00 0.00 179.45 177.62 1rnr s TYR 33 N -5.64 3.58 -0.13 1.91 2.02 -1.26 -4.98 117.35 112.85 1rnr s TYR 33 Ca -0.14 -2.70 0.29 0.00 -0.37 0.00 0.00 57.07 54.14 1rnr s TYR 33 Cb 0.05 -2.62 1.28 0.00 -0.40 0.00 0.00 41.96 40.28 1rnr s TYR 33 CO 0.66 -0.92 1.86 0.38 -1.57 0.00 0.00 175.55 175.96 1rnr h ASP 34 N 7.71 0.00 -0.94 2.29 2.03 -2.00 -2.66 116.42 122.85 1rnr h ASP 34 Ca -0.10 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.33 1rnr h ASP 34 Cb 1.03 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.45 1rnr h ASP 34 CO 0.52 0.00 0.60 -0.29 -1.03 0.00 0.00 179.24 179.04 1rnr h ILE 35 N 0.00 0.88 0.00 4.15 6.09 -1.98 0.63 117.51 127.28 1rnr h ILE 35 Ca 0.00 -0.29 -0.07 0.00 -1.37 0.00 0.00 64.86 63.13 1rnr h ILE 35 Cb 0.33 -0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.57 1rnr h ILE 35 CO 0.00 0.15 -0.32 -0.26 -3.07 0.00 0.00 178.15 174.65 1rnr h PHE 36 N 0.85 0.00 -0.05 2.19 0.04 -1.82 -0.72 116.94 117.43 1rnr h PHE 36 Ca 0.47 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.14 1rnr h PHE 36 Cb 0.59 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.74 1rnr h PHE 36 CO -0.00 0.32 -0.35 1.49 -0.60 0.00 0.00 178.31 179.17 1rnr h GLU 37 N 0.00 0.32 -0.75 1.51 4.57 -1.23 -1.34 114.58 117.66 1rnr h GLU 37 Ca -0.00 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1rnr h GLU 37 Cb 0.73 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 1rnr h GLU 37 CO 0.04 0.94 0.47 0.87 -1.18 0.00 0.00 179.01 180.16 1rnr h LYS 38 N -0.20 0.90 -0.58 1.92 1.79 -0.69 -0.45 116.57 119.26 1rnr h LYS 38 Ca -0.03 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.30 1rnr h LYS 38 Cb 1.03 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1rnr h LYS 38 CO 0.07 0.60 0.02 -0.07 -1.08 0.00 0.00 179.45 178.98 1rnr h LEU 39 N 0.93 0.95 -0.04 2.94 3.38 -1.05 0.16 115.31 122.58 1rnr h LEU 39 Ca 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rnr h LEU 39 Cb 0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1rnr h LEU 39 CO -0.11 1.00 0.02 0.40 0.09 0.00 0.00 178.44 179.84 1rnr h ILE 40 N 0.91 1.10 -0.48 1.22 2.04 -0.70 -0.13 117.51 121.47 1rnr h ILE 40 Ca 0.17 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.83 1rnr h ILE 40 Cb 0.51 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1rnr h ILE 40 CO 0.02 0.08 0.02 -0.33 0.00 0.00 0.00 178.15 177.95 1rnr h GLU 41 N -0.06 0.14 -0.33 2.37 5.08 -1.03 -1.82 114.58 118.93 1rnr h GLU 41 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1rnr h GLU 41 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rnr h GLU 41 CO -0.00 0.09 0.14 0.87 -1.00 0.00 0.00 179.01 179.11 1rnr h LYS 42 N 0.14 0.48 -0.61 2.33 1.79 -0.79 -2.45 116.57 117.46 1rnr h LYS 42 Ca 0.24 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1rnr h LYS 42 Cb 0.35 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1rnr h LYS 42 CO -0.38 0.47 0.27 0.37 -1.08 0.00 0.00 179.45 179.10 1rnr h GLN 43 N 0.38 0.89 -0.48 3.15 5.75 -0.78 -1.55 115.11 122.48 1rnr h GLN 43 Ca 0.11 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1rnr h GLN 43 Cb 0.16 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1rnr h GLN 43 CO -0.01 0.74 0.17 -0.07 -2.65 0.00 0.00 178.83 177.01 1rnr h LEU 44 N 0.84 0.63 -1.43 -2.39 3.38 -1.35 -2.30 115.31 112.68 1rnr h LEU 44 Ca 0.21 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1rnr h LEU 44 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1rnr h LEU 44 CO -0.02 0.58 -0.14 0.28 0.09 0.00 0.00 178.44 179.24 1rnr h SER 45 N 0.68 0.19 -0.18 -0.43 0.02 -0.80 -2.89 113.55 110.14 1rnr h SER 45 Ca 0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1rnr h SER 45 Cb 0.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1rnr h SER 45 CO -0.01 0.35 0.00 0.49 -1.14 0.00 0.00 176.83 176.52 1rnr n PHE 46 N -4.28 0.24 -1.64 3.45 3.72 -0.85 -4.95 117.46 113.15 1rnr n PHE 46 Ca -0.01 -0.12 -0.52 0.00 -0.05 0.00 0.00 57.45 56.75 1rnr n PHE 46 Cb 0.26 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1rnr n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1rnr n PHE 47 N 0.05 1.83 -3.89 1.38 7.35 -1.10 -4.97 117.46 118.11 1rnr n PHE 47 Ca 0.09 0.50 -0.11 0.00 -0.76 0.00 0.00 57.45 57.17 1rnr n PHE 47 Cb 0.19 -2.42 -0.10 0.00 0.35 0.00 0.00 39.48 37.49 1rnr n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1rnr s TRP 48 N 1.46 0.07 -0.16 -5.13 1.48 -1.26 -5.13 118.94 110.27 1rnr s TRP 48 Ca 0.87 -0.19 -0.02 0.00 -1.06 0.00 0.00 56.10 55.70 1rnr s TRP 48 Cb -0.91 -0.07 -0.02 0.00 -1.16 0.00 0.00 33.47 31.32 1rnr s TRP 48 CO 0.49 -0.27 -0.08 1.03 -4.06 0.00 0.00 176.95 174.06 1rnr s ARG 49 N -1.38 3.46 0.21 3.25 0.52 -1.26 -5.01 118.95 118.73 1rnr s ARG 49 Ca -0.15 -0.63 -0.09 0.00 -0.52 0.00 0.00 55.73 54.35 1rnr s ARG 49 Cb -0.08 -2.80 0.27 0.00 0.52 0.00 0.00 34.95 32.86 1rnr s ARG 49 CO 0.01 0.12 1.79 -1.35 0.02 0.00 0.00 175.30 175.89 1rnr h PRO 50 N 7.04 0.58 -0.07 3.54 0.11 -1.94 -2.62 132.00 138.65 1rnr h PRO 50 Ca -0.31 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.78 1rnr h PRO 50 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1rnr h PRO 50 CO 0.59 0.38 0.17 0.93 -0.21 0.00 0.00 178.00 179.86 1rnr h GLU 51 N 0.59 0.00 -0.00 1.05 3.07 -1.95 0.35 114.58 117.69 1rnr h GLU 51 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1rnr h GLU 51 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1rnr h GLU 51 CO -0.23 0.00 -0.11 0.39 -1.40 0.00 0.00 179.01 177.66 1rnr n GLU 52 N -3.30 0.57 -3.51 2.33 1.02 -0.99 -4.77 120.64 111.99 1rnr n GLU 52 Ca -0.01 -0.17 -0.37 0.00 -0.02 0.00 0.00 57.16 56.59 1rnr n GLU 52 Cb 0.25 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 1rnr n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rnr s VAL 53 N -2.55 5.28 -0.54 2.62 1.01 0.11 -5.02 120.40 121.31 1rnr s VAL 53 Ca 0.27 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 1rnr s VAL 53 Cb 0.20 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1rnr s VAL 53 CO 0.49 0.39 1.30 -0.62 0.00 0.00 0.00 175.10 176.66 1rnr s ASP 54 N 0.38 6.33 -0.21 3.32 2.15 -1.26 -4.88 116.67 122.50 1rnr s ASP 54 Ca 0.18 0.29 0.15 0.00 0.43 0.00 0.00 52.55 53.60 1rnr s ASP 54 Cb -0.13 -2.55 0.58 0.00 -0.30 0.00 0.00 42.92 40.51 1rnr s ASP 54 CO 0.05 -1.55 1.50 1.33 -0.17 0.00 0.00 175.17 176.33 1rnr n VAL 55 N 6.81 2.43 -0.24 1.11 0.24 -1.26 -4.50 118.33 122.92 1rnr n VAL 55 Ca 0.11 -1.92 -0.03 0.00 -2.04 0.00 0.00 64.34 60.46 1rnr n VAL 55 Cb 0.49 -0.28 0.15 0.00 -1.47 0.00 0.00 33.84 32.73 1rnr n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1rnr h SER 56 N 1.99 0.96 0.72 -1.34 4.64 -1.95 -2.30 113.55 116.27 1rnr h SER 56 Ca 0.05 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1rnr h SER 56 Cb 1.61 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1rnr h SER 56 CO 0.32 0.82 -0.25 -0.09 -0.87 0.00 0.00 176.83 176.76 1rnr h ARG 57 N 1.05 0.00 -0.07 4.77 2.43 -2.00 -2.38 114.38 118.19 1rnr h ARG 57 Ca 0.25 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1rnr h ARG 57 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1rnr h ARG 57 CO -0.03 0.25 0.05 -0.44 -1.51 0.00 0.00 179.97 178.29 1rnr h ASP 58 N 0.00 0.00 -0.13 -3.80 5.19 -1.77 -0.65 116.42 115.26 1rnr h ASP 58 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1rnr h ASP 58 Cb 0.68 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 1rnr h ASP 58 CO 0.03 0.00 0.05 -0.09 -3.12 0.00 0.00 179.24 176.11 1rnr h ARG 59 N 0.00 0.20 0.27 3.56 2.43 -1.50 0.23 114.38 119.57 1rnr h ARG 59 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1rnr h ARG 59 Cb 0.14 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1rnr h ARG 59 CO -0.00 0.33 -0.13 0.82 -1.51 0.00 0.00 179.97 179.48 1rnr h ILE 60 N 0.04 0.77 -0.62 1.20 2.04 -1.29 -0.64 117.51 119.01 1rnr h ILE 60 Ca 0.04 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.66 1rnr h ILE 60 Cb 0.20 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1rnr h ILE 60 CO -0.00 0.07 0.28 0.44 0.00 0.00 0.00 178.15 178.94 1rnr h ASP 61 N -0.53 0.35 -0.65 1.72 5.19 -1.23 -0.22 116.42 121.04 1rnr h ASP 61 Ca -0.04 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 1rnr h ASP 61 Cb 0.39 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1rnr h ASP 61 CO 0.06 0.21 0.14 0.22 -3.12 0.00 0.00 179.24 176.75 1rnr h TYR 62 N 0.50 1.11 -0.42 4.55 3.20 -0.87 -1.23 116.97 123.82 1rnr h TYR 62 Ca 0.30 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1rnr h TYR 62 Cb 0.31 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1rnr h TYR 62 CO -0.13 0.93 0.21 0.37 -1.64 0.00 0.00 178.16 177.89 1rnr h GLN 63 N 0.97 0.41 0.00 1.82 -0.00 -0.40 -2.21 115.11 115.69 1rnr h GLN 63 Ca 0.20 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1rnr h GLN 63 Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.78 1rnr h GLN 63 CO 0.01 0.27 -0.00 0.00 0.00 0.00 0.00 178.83 179.10 1rnr h ALA 64 N 1.22 1.00 -2.91 3.38 0.00 -0.49 -3.45 119.26 118.01 1rnr h ALA 64 Ca 0.18 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.55 1rnr h ALA 64 Cb 0.09 -0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.98 1rnr h ALA 64 CO -0.13 0.00 0.80 1.28 0.00 0.00 0.00 179.25 181.21 1rnr n LEU 65 N -3.10 4.75 -4.76 0.00 4.32 -0.52 -4.98 117.00 112.72 1rnr n LEU 65 Ca 0.00 1.21 -0.38 0.00 -0.02 0.00 0.00 56.01 56.83 1rnr n LEU 65 Cb 0.27 -1.62 0.02 0.00 -1.62 0.00 0.00 43.42 40.47 1rnr n LEU 65 CO 0.26 0.18 0.91 -2.16 -1.22 0.00 0.00 177.39 175.37 1rnr s PRO 66 N -1.82 3.32 0.21 3.23 0.04 -1.26 -4.76 135.00 133.96 1rnr s PRO 66 Ca 0.55 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.39 1rnr s PRO 66 Cb -0.48 -2.26 0.15 0.00 0.04 0.00 0.00 34.50 31.95 1rnr s PRO 66 CO 0.61 -0.98 1.55 1.49 0.04 0.00 0.00 177.00 179.71 1rnr h GLU 67 N 1.57 -0.00 -0.36 4.56 4.22 -1.96 0.20 114.58 122.80 1rnr h GLU 67 Ca -0.50 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.92 1rnr h GLU 67 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1rnr h GLU 67 CO 0.58 -0.00 0.13 1.12 -2.18 0.00 0.00 179.01 178.66 1rnr h HIS 68 N -0.00 0.50 -0.01 0.92 2.07 -1.92 -0.84 115.15 115.87 1rnr h HIS 68 Ca 0.29 -0.02 -0.14 0.00 -2.85 0.00 0.00 60.37 57.65 1rnr h HIS 68 Cb 0.54 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 30.34 1rnr h HIS 68 CO -0.92 0.41 -0.64 0.93 -3.07 0.00 0.00 177.93 174.64 1rnr h GLU 69 N 0.51 0.04 -0.33 5.12 5.08 -0.99 -0.47 114.58 123.54 1rnr h GLU 69 Ca 0.13 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1rnr h GLU 69 Cb 0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1rnr h GLU 69 CO -0.01 0.67 0.06 0.87 -1.00 0.00 0.00 179.01 179.60 1rnr h LYS 70 N 0.03 0.54 -0.01 2.33 1.57 -0.58 -0.08 116.57 120.38 1rnr h LYS 70 Ca -0.01 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1rnr h LYS 70 Cb 1.15 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1rnr h LYS 70 CO 0.09 0.62 -0.13 1.25 -0.57 0.00 0.00 179.45 180.70 1rnr h HIS 71 N 0.38 -0.34 -0.91 -1.35 2.76 -0.81 0.22 115.15 115.10 1rnr h HIS 71 Ca 0.10 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1rnr h HIS 71 Cb 0.33 0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.40 1rnr h HIS 71 CO 0.02 -0.20 0.58 0.82 -1.30 0.00 0.00 177.93 177.85 1rnr h ILE 72 N -0.22 1.24 -0.14 6.26 2.04 -0.95 -0.89 117.51 124.85 1rnr h ILE 72 Ca 0.05 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1rnr h ILE 72 Cb 0.29 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1rnr h ILE 72 CO -0.14 0.24 -0.03 0.15 0.00 0.00 0.00 178.15 178.37 1rnr h PHE 73 N 1.24 0.30 0.01 1.37 3.57 -0.44 -3.11 116.94 119.88 1rnr h PHE 73 Ca 0.33 -0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.53 1rnr h PHE 73 Cb -0.11 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1rnr h PHE 73 CO 0.00 0.55 -0.98 0.97 -2.23 0.00 0.00 178.31 176.63 1rnr h ILE 74 N -0.04 1.41 -0.59 1.41 6.09 -0.37 -2.92 117.51 122.50 1rnr h ILE 74 Ca 0.04 -2.50 0.00 0.00 -1.37 0.00 0.00 64.86 61.03 1rnr h ILE 74 Cb 0.45 2.47 -0.03 0.00 0.47 0.00 0.00 36.82 40.18 1rnr h ILE 74 CO 0.01 0.74 0.38 0.28 -3.07 0.00 0.00 178.15 176.50 1rnr h SER 75 N 0.22 0.68 -0.41 2.19 0.02 -1.25 0.12 113.55 115.12 1rnr h SER 75 Ca -0.09 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1rnr h SER 75 Cb 1.62 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.97 1rnr h SER 75 CO 0.17 0.50 0.27 -1.13 -1.14 0.00 0.00 176.83 175.51 1rnr h ASN 76 N 0.80 0.48 -0.13 3.07 -1.24 -1.60 -1.82 115.58 115.14 1rnr h ASN 76 Ca 0.21 -0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.08 1rnr h ASN 76 Cb -0.08 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1rnr h ASN 76 CO -0.05 0.35 -0.34 0.25 -1.29 0.00 0.00 177.43 176.36 1rnr h LEU 77 N 0.56 0.65 -1.16 0.34 5.85 -1.27 -1.55 115.31 118.74 1rnr h LEU 77 Ca 0.15 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1rnr h LEU 77 Cb -0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1rnr h LEU 77 CO -0.03 0.94 -0.19 0.11 -0.34 0.00 0.00 178.44 178.93 1rnr h LYS 78 N 0.53 0.35 -0.05 1.25 1.57 -0.36 -1.70 116.57 118.17 1rnr h LYS 78 Ca 0.06 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1rnr h LYS 78 Cb 0.84 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1rnr h LYS 78 CO 0.07 0.54 -0.46 -0.92 -0.57 0.00 0.00 179.45 178.11 1rnr h TYR 79 N 0.32 0.55 -0.54 -1.35 3.20 -0.94 -2.43 116.97 115.79 1rnr h TYR 79 Ca 0.06 -0.27 0.06 0.00 3.14 0.00 0.00 58.73 61.73 1rnr h TYR 79 Cb 0.53 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 1rnr h TYR 79 CO 0.01 1.05 0.23 1.96 -1.64 0.00 0.00 178.16 179.77 1rnr h GLN 80 N -0.11 0.43 -0.28 1.82 4.20 -1.18 0.53 115.11 120.53 1rnr h GLN 80 Ca -0.04 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1rnr h GLN 80 Cb 1.14 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 1rnr h GLN 80 CO 0.09 0.28 0.00 1.15 -0.67 0.00 0.00 178.83 179.69 1rnr h THR 81 N 0.44 0.80 -0.27 -0.54 2.02 -1.34 -1.98 112.91 112.04 1rnr h THR 81 Ca 0.25 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1rnr h THR 81 Cb 0.23 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1rnr h THR 81 CO -0.22 0.02 0.00 0.25 0.37 0.00 0.00 175.52 175.94 1rnr h LEU 82 N 0.09 -0.10 -0.27 2.58 6.46 -0.77 -1.62 115.31 121.67 1rnr h LEU 82 Ca 0.13 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1rnr h LEU 82 Cb 0.17 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1rnr h LEU 82 CO -0.22 -0.02 0.17 -0.07 -0.62 0.00 0.00 178.44 177.68 1rnr h LEU 83 N 0.08 0.28 -0.91 2.25 3.38 -0.57 -2.45 115.31 117.38 1rnr h LEU 83 Ca 0.13 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1rnr h LEU 83 Cb 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1rnr h LEU 83 CO -0.22 0.21 -0.23 0.44 0.09 0.00 0.00 178.44 178.73 1rnr h ASP 84 N 0.35 0.00 0.33 -0.43 3.32 -1.28 0.17 116.42 118.87 1rnr h ASP 84 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1rnr h ASP 84 Cb -0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1rnr h ASP 84 CO -0.04 0.23 -0.19 0.28 -1.72 0.00 0.00 179.24 177.81 1rnr h SER 85 N 0.00 -0.46 -0.77 6.45 0.02 -1.02 0.15 113.55 117.93 1rnr h SER 85 Ca -0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1rnr h SER 85 Cb 0.83 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 1rnr h SER 85 CO 0.03 -0.30 0.28 0.40 -1.14 0.00 0.00 176.83 176.10 1rnr h ILE 86 N -0.48 1.26 0.00 3.27 2.04 -0.95 -2.93 117.51 119.72 1rnr h ILE 86 Ca -0.04 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1rnr h ILE 86 Cb 0.39 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1rnr h ILE 86 CO 0.05 0.34 0.00 1.56 0.00 0.00 0.00 178.15 180.10 1rnr h GLN 87 N 1.13 0.00 -0.09 2.37 1.08 -0.47 -1.54 115.11 117.59 1rnr h GLN 87 Ca 0.25 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1rnr h GLN 87 Cb 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1rnr h GLN 87 CO -0.02 0.00 -0.11 0.78 -0.95 0.00 0.00 178.83 178.53 1rnr h GLY 88 N 3.81 0.26 0.41 3.46 0.00 -0.51 -3.40 103.07 107.09 1rnr h GLY 88 Ca 0.00 -0.28 -0.37 0.00 0.00 0.00 0.00 47.33 46.68 1rnr h GLY 88 CO 0.00 0.25 -2.12 -0.96 0.00 0.00 0.00 176.54 173.71 1rnr n ARG 89 N -4.64 0.72 -0.36 4.80 1.85 -1.20 -4.67 116.66 113.17 1rnr n ARG 89 Ca -0.07 0.24 -0.02 0.00 -1.00 0.00 0.00 57.85 57.00 1rnr n ARG 89 Cb 0.34 -1.65 0.13 0.00 -1.05 0.00 0.00 32.46 30.23 1rnr n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1rnr h SER 90 N -0.00 1.12 -0.93 2.89 0.02 -1.49 -2.14 113.55 113.01 1rnr h SER 90 Ca -0.47 -0.03 0.14 0.00 -0.84 0.00 0.00 61.79 60.59 1rnr h SER 90 Cb 1.96 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 64.14 1rnr h SER 90 CO 0.02 0.81 0.54 -0.65 -1.14 0.00 0.00 176.83 176.41 1rnr h PRO 91 N 1.32 0.78 -0.09 3.45 0.11 -1.81 0.78 132.00 136.54 1rnr h PRO 91 Ca 0.36 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 1rnr h PRO 91 Cb -0.15 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.79 1rnr h PRO 91 CO -0.08 0.51 -0.39 -0.91 -0.21 0.00 0.00 178.00 176.92 1rnr h ASN 92 N 0.80 0.49 -0.10 -2.05 2.35 -1.74 0.23 115.58 115.57 1rnr h ASN 92 Ca 0.49 -0.64 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1rnr h ASN 92 Cb 0.60 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1rnr h ASN 92 CO -0.32 1.05 -0.30 0.58 -1.65 0.00 0.00 177.43 176.80 1rnr h VAL 93 N -0.04 1.40 0.12 2.81 2.07 -1.28 -3.32 116.25 118.01 1rnr h VAL 93 Ca -0.02 -1.64 -0.33 0.00 0.82 0.00 0.00 66.70 65.53 1rnr h VAL 93 Cb 1.04 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1rnr h VAL 93 CO 0.08 0.48 -1.74 0.00 0.02 0.00 0.00 177.57 176.40 1rnr h ALA 94 N 0.48 0.36 0.05 1.67 0.00 -0.86 -3.41 119.26 117.55 1rnr h ALA 94 Ca -0.01 -1.25 -0.27 0.00 0.00 0.00 0.00 54.91 53.38 1rnr h ALA 94 Cb 0.92 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1rnr h ALA 94 CO 0.06 1.23 -1.45 -0.07 0.00 0.00 0.00 179.25 179.02 1rnr h LEU 95 N 0.07 0.15 -0.83 0.00 4.07 -0.69 -3.41 115.31 114.67 1rnr h LEU 95 Ca -0.33 -0.67 0.20 0.00 0.08 0.00 0.00 57.88 57.16 1rnr h LEU 95 Cb 2.04 -0.05 -0.12 0.00 1.08 0.00 0.00 40.66 43.61 1rnr h LEU 95 CO 0.13 1.60 0.26 0.25 -1.08 0.00 0.00 178.44 179.60 1rnr h LEU 96 N -0.64 0.10 0.00 1.67 5.85 -1.53 0.33 115.31 121.08 1rnr h LEU 96 Ca -0.36 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1rnr h LEU 96 Cb 1.54 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1rnr h LEU 96 CO -0.10 -0.06 0.00 -2.65 -0.34 0.00 0.00 178.44 175.29 1rnr n PRO 97 N -5.15 0.11 0.00 5.25 -0.02 -1.26 -3.04 135.00 130.89 1rnr n PRO 97 Ca 0.19 0.19 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 1rnr n PRO 97 Cb 0.58 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1rnr n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rnr n LEU 98 N -1.24 0.70 -4.77 2.45 4.77 0.10 -5.01 117.00 114.00 1rnr n LEU 98 Ca 0.03 -0.74 -0.39 0.00 -0.03 0.00 0.00 56.01 54.88 1rnr n LEU 98 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1rnr n LEU 98 CO 0.05 0.16 0.45 -0.63 -1.33 0.00 0.00 177.39 176.09 1rnr s ILE 99 N -0.81 4.49 -0.04 -0.08 1.01 -1.17 -0.61 121.20 123.99 1rnr s ILE 99 Ca 0.03 1.63 0.01 0.00 0.00 0.00 0.00 60.65 62.31 1rnr s ILE 99 Cb 0.03 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.41 1rnr s ILE 99 CO 0.09 0.49 1.01 -1.20 0.00 0.00 0.00 174.94 175.33 1rnr n SER 100 N 1.88 2.05 -4.20 3.58 7.64 -0.41 -4.11 113.62 120.05 1rnr n SER 100 Ca -0.06 -2.02 -0.23 0.00 1.01 0.00 0.00 58.87 57.57 1rnr n SER 100 Cb 0.49 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.54 1rnr n SER 100 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1rnr s ILE 101 N -1.04 1.38 0.32 0.44 -4.36 -1.26 -4.68 121.20 112.00 1rnr s ILE 101 Ca 0.02 -1.10 0.08 0.00 -0.26 0.00 0.00 60.65 59.39 1rnr s ILE 101 Cb 0.01 -1.22 0.06 0.00 1.25 0.00 0.00 42.46 42.56 1rnr s ILE 101 CO 0.01 0.09 1.75 1.55 0.24 0.00 0.00 174.94 178.58 1rnr h PRO 102 N 4.88 0.18 -0.19 0.37 0.13 -1.89 -2.99 132.00 132.49 1rnr h PRO 102 Ca -0.40 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1rnr h PRO 102 Cb 1.17 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1rnr h PRO 102 CO 0.44 0.53 -0.45 1.05 -0.23 0.00 0.00 178.00 179.34 1rnr h GLU 103 N 0.16 0.47 -0.12 0.86 9.09 -1.92 -0.97 114.58 122.15 1rnr h GLU 103 Ca 0.02 -0.25 -0.21 0.00 0.05 0.00 0.00 59.36 58.97 1rnr h GLU 103 Cb 0.73 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1rnr h GLU 103 CO 0.06 0.83 -0.76 1.25 0.05 0.00 0.00 179.01 180.43 1rnr h LEU 104 N 0.38 0.74 -0.17 3.06 6.46 -1.91 -1.26 115.31 122.61 1rnr h LEU 104 Ca 0.03 -0.49 0.01 0.00 -0.12 0.00 0.00 57.88 57.31 1rnr h LEU 104 Cb 0.94 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1rnr h LEU 104 CO 0.08 1.26 0.09 -0.08 -0.62 0.00 0.00 178.44 179.18 1rnr h GLU 105 N 0.42 0.19 -0.03 1.25 4.81 -1.31 0.42 114.58 120.34 1rnr h GLU 105 Ca -0.04 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1rnr h GLU 105 Cb 1.37 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1rnr h GLU 105 CO 0.15 0.13 -0.83 1.15 -0.73 0.00 0.00 179.01 178.87 1rnr h THR 106 N 0.20 1.43 -0.60 0.32 2.02 -1.18 -2.76 112.91 112.33 1rnr h THR 106 Ca 0.07 -2.39 -0.03 0.00 0.77 0.00 0.00 66.41 64.83 1rnr h THR 106 Cb -0.00 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1rnr h THR 106 CO -0.04 0.71 0.27 -0.25 0.37 0.00 0.00 175.52 176.58 1rnr h TRP 107 N 0.19 0.87 -0.20 3.16 -0.00 -0.98 -0.04 115.95 118.96 1rnr h TRP 107 Ca -0.05 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.89 58.75 1rnr h TRP 107 Cb 1.44 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 30.32 1rnr h TRP 107 CO 0.04 0.68 -0.08 0.28 -0.00 0.00 0.00 178.44 179.36 1rnr h VAL 108 N 0.82 1.17 0.00 2.65 2.07 -0.84 0.14 116.25 122.27 1rnr h VAL 108 Ca 0.20 -0.74 -0.21 0.00 0.82 0.00 0.00 66.70 66.77 1rnr h VAL 108 Cb 0.14 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1rnr h VAL 108 CO -0.02 0.24 -1.00 -0.33 0.02 0.00 0.00 177.57 176.48 1rnr h GLU 109 N 0.30 0.00 -0.11 1.57 5.08 -1.17 -1.48 114.58 118.77 1rnr h GLU 109 Ca 0.06 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1rnr h GLU 109 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1rnr h GLU 109 CO 0.02 1.00 -0.39 1.15 -1.00 0.00 0.00 179.01 179.78 1rnr h THR 110 N 0.00 1.38 0.11 1.13 2.02 -0.31 -2.05 112.91 115.18 1rnr h THR 110 Ca -0.01 -1.71 0.01 0.00 0.77 0.00 0.00 66.41 65.47 1rnr h THR 110 Cb 1.77 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 70.29 1rnr h THR 110 CO 0.13 0.51 -0.20 -0.25 0.37 0.00 0.00 175.52 176.08 1rnr h TRP 111 N 0.05 -0.52 -0.76 3.16 7.01 -0.76 -0.52 115.95 123.61 1rnr h TRP 111 Ca -0.02 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1rnr h TRP 111 Cb 1.02 0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 28.26 1rnr h TRP 111 CO 0.11 -0.29 0.50 0.00 -2.79 0.00 0.00 178.44 175.97 1rnr h ALA 112 N 0.44 0.97 -0.62 2.65 0.00 -1.32 -2.35 119.26 119.02 1rnr h ALA 112 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rnr h ALA 112 Cb 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1rnr h ALA 112 CO -0.11 0.37 0.37 0.35 0.00 0.00 0.00 179.25 180.22 1rnr h PHE 113 N 1.02 0.83 0.00 0.00 3.57 -0.94 -1.62 116.94 119.80 1rnr h PHE 113 Ca 0.28 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1rnr h PHE 113 Cb -0.11 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.36 1rnr h PHE 113 CO -0.02 0.58 -0.01 0.66 -2.23 0.00 0.00 178.31 177.29 1rnr h SER 114 N 0.85 0.00 0.50 0.41 4.64 -0.59 -1.20 113.55 118.16 1rnr h SER 114 Ca 0.22 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1rnr h SER 114 Cb -0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1rnr h SER 114 CO -0.04 0.01 -0.62 -0.33 -0.87 0.00 0.00 176.83 174.98 1rnr h GLU 115 N 0.00 0.12 0.00 4.77 4.39 -0.91 -1.88 114.58 121.06 1rnr h GLU 115 Ca -0.00 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1rnr h GLU 115 Cb 0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1rnr h GLU 115 CO 0.00 0.70 -0.44 1.79 -1.16 0.00 0.00 179.01 179.90 1rnr h THR 116 N 0.09 0.82 -0.44 1.13 1.35 -0.91 0.07 112.91 115.01 1rnr h THR 116 Ca -0.01 -1.96 -0.05 0.00 -0.55 0.00 0.00 66.41 63.83 1rnr h THR 116 Cb 1.12 2.26 -0.02 0.00 -1.73 0.00 0.00 68.15 69.79 1rnr h THR 116 CO 0.09 0.43 0.07 0.40 -0.25 0.00 0.00 175.52 176.26 1rnr h ILE 117 N 0.00 1.25 -0.65 6.82 1.08 -1.31 0.62 117.51 125.32 1rnr h ILE 117 Ca -0.00 -0.91 -0.02 0.00 -0.39 0.00 0.00 64.86 63.54 1rnr h ILE 117 Cb 1.23 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1rnr h ILE 117 CO 0.06 0.32 0.34 0.45 -0.69 0.00 0.00 178.15 178.62 1rnr h HIS 118 N 0.60 0.90 -0.45 1.37 3.86 -0.64 0.51 115.15 121.31 1rnr h HIS 118 Ca 0.13 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1rnr h HIS 118 Cb 0.39 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 1rnr h HIS 118 CO 0.03 0.66 0.22 0.77 0.86 0.00 0.00 177.93 180.47 1rnr h SER 119 N 0.89 0.32 0.05 2.45 0.02 -0.73 -2.35 113.55 114.19 1rnr h SER 119 Ca 0.23 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1rnr h SER 119 Cb 0.07 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1rnr h SER 119 CO -0.03 0.23 -0.15 0.03 -1.14 0.00 0.00 176.83 175.76 1rnr h ARG 120 N 0.45 0.21 -0.10 3.45 3.08 0.02 -1.44 114.38 120.05 1rnr h ARG 120 Ca 0.20 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 1rnr h ARG 120 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1rnr h ARG 120 CO -0.14 0.37 -0.50 0.66 -1.07 0.00 0.00 179.97 179.29 1rnr h SER 121 N 0.20 0.30 -0.52 7.04 4.64 -0.43 -2.45 113.55 122.33 1rnr h SER 121 Ca 0.04 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1rnr h SER 121 Cb 0.40 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1rnr h SER 121 CO 0.02 0.75 -0.11 1.88 -0.87 0.00 0.00 176.83 178.50 1rnr h TYR 122 N 0.22 1.12 -0.66 4.77 0.05 -0.80 -0.73 116.97 120.94 1rnr h TYR 122 Ca 0.01 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.56 1rnr h TYR 122 Cb 0.96 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 1rnr h TYR 122 CO 0.02 1.05 0.40 1.15 -1.05 0.00 0.00 178.16 179.73 1rnr h THR 123 N 0.89 1.18 -0.34 -2.88 2.02 -1.37 -0.10 112.91 112.32 1rnr h THR 123 Ca 0.14 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1rnr h THR 123 Cb 0.68 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1rnr h THR 123 CO 0.05 0.19 0.04 -0.74 0.37 0.00 0.00 175.52 175.43 1rnr h HIS 124 N 0.91 0.62 0.17 3.16 -0.00 -0.81 -0.06 115.15 119.13 1rnr h HIS 124 Ca 0.24 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1rnr h HIS 124 Cb -0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1rnr h HIS 124 CO 0.00 0.65 -0.08 0.82 -0.00 0.00 0.00 177.93 179.33 1rnr h ILE 125 N 0.40 0.93 0.10 6.26 2.04 -0.66 -2.56 117.51 124.02 1rnr h ILE 125 Ca 0.10 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1rnr h ILE 125 Cb 0.38 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1rnr h ILE 125 CO 0.01 0.11 -0.09 0.40 0.00 0.00 0.00 178.15 178.57 1rnr h ILE 126 N -0.45 0.79 0.00 -0.67 2.04 -1.02 -1.80 117.51 116.39 1rnr h ILE 126 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1rnr h ILE 126 Cb 0.35 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1rnr h ILE 126 CO 0.04 0.00 -0.18 0.08 0.00 0.00 0.00 178.15 178.09 1rnr h ARG 127 N -0.21 0.00 -0.01 2.37 0.11 -1.06 -1.74 114.38 113.84 1rnr h ARG 127 Ca 0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.89 1rnr h ARG 127 Cb 0.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 1rnr h ARG 127 CO -0.02 0.18 -0.85 -0.97 0.10 0.00 0.00 179.97 178.40 1rnr h ASN 128 N 0.00 0.34 0.39 0.08 -1.24 -0.98 -3.38 115.58 110.79 1rnr h ASN 128 Ca -0.00 -0.26 -0.22 0.00 0.71 0.00 0.00 56.30 56.53 1rnr h ASN 128 Cb 0.33 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 1rnr h ASN 128 CO 0.02 1.05 -1.80 2.30 -1.29 0.00 0.00 177.43 177.71 1rnr n ILE 129 N -3.71 1.14 -3.96 2.57 -5.35 -0.73 -4.65 119.36 104.67 1rnr n ILE 129 Ca -0.04 -0.73 -0.31 0.00 -0.27 0.00 0.00 62.75 61.40 1rnr n ILE 129 Cb 0.79 -0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 38.03 1rnr n ILE 129 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1rnr s VAL 130 N -2.84 5.12 -0.51 7.28 1.01 -0.72 -4.90 120.40 124.84 1rnr s VAL 130 Ca -0.06 -0.49 0.26 0.00 0.00 0.00 0.00 61.98 61.69 1rnr s VAL 130 Cb 0.09 -3.48 0.30 0.00 0.00 0.00 0.00 36.38 33.29 1rnr s VAL 130 CO 0.83 0.15 1.75 -1.13 0.00 0.00 0.00 175.10 176.70 1rnr h ASN 131 N 3.21 0.00 -2.05 3.32 -1.24 -1.89 -3.41 115.58 113.52 1rnr h ASN 131 Ca -0.46 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.29 1rnr h ASN 131 Cb 1.16 0.00 -0.32 0.00 0.73 0.00 0.00 38.32 39.89 1rnr h ASN 131 CO 0.72 0.00 -0.58 -0.62 -1.29 0.00 0.00 177.43 175.66 1rnr s ASP 132 N -4.98 1.09 0.55 1.15 2.15 -1.26 -5.05 116.67 110.33 1rnr s ASP 132 Ca 0.07 -0.43 0.30 0.00 0.43 0.00 0.00 52.55 52.92 1rnr s ASP 132 Cb 0.10 0.73 1.46 0.00 -0.30 0.00 0.00 42.92 44.91 1rnr s ASP 132 CO 0.56 -0.36 1.90 -0.65 -0.17 0.00 0.00 175.17 176.45 1rnr h PRO 133 N 8.23 0.00 0.00 4.34 0.11 -1.89 -2.92 132.00 139.87 1rnr h PRO 133 Ca -0.14 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 1rnr h PRO 133 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1rnr h PRO 133 CO 0.30 0.00 -0.00 0.77 -0.21 0.00 0.00 178.00 178.86 1rnr h SER 134 N 0.00 0.00 1.05 -2.05 0.02 -1.98 0.72 113.55 111.32 1rnr h SER 134 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1rnr h SER 134 Cb 1.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1rnr h SER 134 CO -0.00 0.00 0.00 -0.37 -1.14 0.00 0.00 176.83 175.32 1rnr h VAL 135 N 0.00 0.00 0.00 2.27 -1.51 -1.94 0.15 116.25 115.22 1rnr h VAL 135 Ca -0.00 -0.44 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1rnr h VAL 135 Cb 0.01 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1rnr h VAL 135 CO 0.00 0.00 -0.31 0.58 -1.23 0.00 0.00 177.57 176.61 1rnr h VAL 136 N 0.00 0.04 -0.96 7.19 2.07 -1.10 -3.27 116.25 120.23 1rnr h VAL 136 Ca 0.00 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1rnr h VAL 136 Cb 0.53 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1rnr h VAL 136 CO 0.00 0.01 0.63 -0.26 0.02 0.00 0.00 177.57 177.98 1rnr h PHE 137 N -1.00 1.19 0.00 1.57 0.04 -1.22 -1.00 116.94 116.52 1rnr h PHE 137 Ca -0.01 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 1rnr h PHE 137 Cb 0.32 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1rnr h PHE 137 CO -0.12 0.72 -0.35 -0.44 -0.60 0.00 0.00 178.31 177.52 1rnr h ASP 138 N 1.26 0.00 0.31 2.17 3.32 -0.91 -2.99 116.42 119.57 1rnr h ASP 138 Ca 0.37 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.23 1rnr h ASP 138 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1rnr h ASP 138 CO -0.10 0.35 -0.74 -0.78 -1.72 0.00 0.00 179.24 176.25 1rnr h ASP 139 N 0.00 0.44 -0.23 6.45 3.58 -1.23 -3.35 116.42 122.07 1rnr h ASP 139 Ca -0.00 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.20 1rnr h ASP 139 Cb 0.80 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.64 1rnr h ASP 139 CO 0.05 1.03 -0.48 0.40 -2.88 0.00 0.00 179.24 177.36 1rnr h ILE 140 N 0.24 0.07 -0.99 2.25 2.04 -1.34 0.18 117.51 119.96 1rnr h ILE 140 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 1rnr h ILE 140 Cb 1.32 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1rnr h ILE 140 CO 0.12 0.00 0.64 1.62 0.00 0.00 0.00 178.15 180.53 1rnr h VAL 141 N -0.48 1.01 -0.00 1.67 3.04 -1.70 -2.49 116.25 117.30 1rnr h VAL 141 Ca 0.08 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1rnr h VAL 141 Cb 0.64 -0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1rnr h VAL 141 CO -0.48 0.20 -0.57 0.35 -1.01 0.00 0.00 177.57 176.06 1rnr n THR 142 N -4.55 0.00 -2.19 3.17 -2.24 -0.78 -4.89 114.28 102.80 1rnr n THR 142 Ca 0.17 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 1rnr n THR 142 Cb 0.27 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1rnr n THR 142 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1rnr s ASN 143 N -2.85 6.54 0.42 3.42 3.84 0.58 -4.87 114.94 122.02 1rnr s ASN 143 Ca 0.14 1.65 0.16 0.00 0.21 0.00 0.00 52.86 55.02 1rnr s ASN 143 Cb 0.18 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 39.27 1rnr s ASN 143 CO 0.69 -1.12 1.91 -0.33 -2.79 0.00 0.00 177.10 175.47 1rnr h GLU 144 N 10.01 0.00 0.02 0.43 5.08 -1.90 -0.85 114.58 127.37 1rnr h GLU 144 Ca -0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.82 1rnr h GLU 144 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1rnr h GLU 144 CO 1.00 0.27 -0.95 1.96 -1.00 0.00 0.00 179.01 180.28 1rnr h GLN 145 N 0.00 0.24 0.25 2.33 1.08 -1.98 0.12 115.11 117.15 1rnr h GLN 145 Ca -0.00 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1rnr h GLN 145 Cb 0.52 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1rnr h GLN 145 CO 0.04 1.03 -0.12 0.82 -0.95 0.00 0.00 178.83 179.64 1rnr h ILE 146 N 0.12 0.80 0.00 2.54 2.04 -1.88 -1.37 117.51 119.76 1rnr h ILE 146 Ca -0.06 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1rnr h ILE 146 Cb 1.61 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1rnr h ILE 146 CO 0.15 0.09 -0.08 1.56 0.00 0.00 0.00 178.15 179.88 1rnr h GLN 147 N -0.56 0.00 -0.06 2.37 1.08 -0.91 0.12 115.11 117.14 1rnr h GLN 147 Ca -0.03 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1rnr h GLN 147 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1rnr h GLN 147 CO 0.06 0.08 -0.30 -0.22 -0.95 0.00 0.00 178.83 177.49 1rnr h LYS 148 N 0.00 0.31 -0.09 1.46 1.63 -0.74 -2.24 116.57 116.90 1rnr h LYS 148 Ca -0.00 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.50 1rnr h LYS 148 Cb 0.26 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1rnr h LYS 148 CO 0.01 0.90 -0.15 -0.09 -3.45 0.00 0.00 179.45 176.67 1rnr h ARG 149 N -0.20 0.15 0.00 1.90 2.43 -0.29 -3.05 114.38 115.32 1rnr h ARG 149 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1rnr h ARG 149 Cb 0.96 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1rnr h ARG 149 CO 0.06 0.30 -0.52 0.00 -1.51 0.00 0.00 179.97 178.31 1rnr h ALA 150 N 1.71 0.75 -2.48 2.80 0.00 -0.81 -3.46 119.26 117.77 1rnr h ALA 150 Ca 0.03 -0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.32 1rnr h ALA 150 Cb 0.36 0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.21 1rnr h ALA 150 CO 0.02 0.08 0.96 -0.85 0.00 0.00 0.00 179.25 179.47 1rnr n GLU 151 N -2.92 2.56 0.00 0.00 0.28 -0.84 -2.66 120.64 117.05 1rnr n GLU 151 Ca 0.02 0.92 0.00 0.00 -0.16 0.00 0.00 57.16 57.94 1rnr n GLU 151 Cb 0.57 -2.75 0.00 0.00 1.43 0.00 0.00 31.44 30.68 1rnr n GLU 151 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rnr n GLY 152 N 3.85 2.93 0.00 -1.84 0.00 -1.26 -5.04 105.19 103.84 1rnr n GLY 152 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1rnr n GLY 152 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rnr n ILE 153 N 0.00 0.00 -0.08 -0.61 5.41 -1.09 -1.82 119.36 121.18 1rnr n ILE 153 Ca 0.00 1.43 0.24 0.00 1.00 0.00 0.00 62.75 65.43 1rnr n ILE 153 Cb 0.00 -2.06 0.71 0.00 -0.71 0.00 0.00 39.64 37.59 1rnr n ILE 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1rnr h SER 154 N 0.00 0.00 0.00 4.38 0.02 -1.96 -2.59 113.55 113.40 1rnr h SER 154 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1rnr h SER 154 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1rnr h SER 154 CO 0.00 0.00 -0.60 0.28 -1.14 0.00 0.00 176.83 175.37 1rnr h SER 155 N 0.00 0.52 -0.23 3.07 0.02 -1.75 -1.12 113.55 114.06 1rnr h SER 155 Ca 0.33 -0.77 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1rnr h SER 155 Cb 1.37 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1rnr h SER 155 CO -0.00 1.22 0.08 1.88 -1.14 0.00 0.00 176.83 178.87 1rnr h TYR 156 N -0.13 0.15 -0.31 3.45 -1.99 -1.04 -1.03 116.97 116.07 1rnr h TYR 156 Ca -0.08 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1rnr h TYR 156 Cb 1.32 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.99 1rnr h TYR 156 CO 0.15 0.07 0.17 1.88 -0.00 0.00 0.00 178.16 180.44 1rnr h TYR 157 N 0.19 0.33 -0.53 4.88 0.05 -1.51 -1.39 116.97 118.99 1rnr h TYR 157 Ca 0.10 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 1rnr h TYR 157 Cb 0.06 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1rnr h TYR 157 CO -0.12 0.19 -0.05 -0.44 -1.05 0.00 0.00 178.16 176.69 1rnr h ASP 158 N 0.36 0.91 -0.25 3.88 3.32 -0.85 -0.47 116.42 123.32 1rnr h ASP 158 Ca 0.12 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1rnr h ASP 158 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1rnr h ASP 158 CO -0.06 1.00 0.15 -0.33 -1.72 0.00 0.00 179.24 178.27 1rnr h GLU 159 N 0.85 0.34 -0.55 3.56 5.08 -0.78 -0.31 114.58 122.76 1rnr h GLU 159 Ca 0.15 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1rnr h GLU 159 Cb 0.57 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1rnr h GLU 159 CO 0.03 0.27 0.33 1.25 -1.00 0.00 0.00 179.01 179.89 1rnr h LEU 160 N 0.31 0.52 -0.83 1.33 5.85 -0.82 -0.43 115.31 121.24 1rnr h LEU 160 Ca 0.09 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1rnr h LEU 160 Cb 0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1rnr h LEU 160 CO -0.02 0.36 0.11 0.40 -0.34 0.00 0.00 178.44 178.96 1rnr h ILE 161 N 0.64 1.25 0.29 4.05 2.04 -0.60 -0.21 117.51 124.98 1rnr h ILE 161 Ca 0.23 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1rnr h ILE 161 Cb 0.05 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1rnr h ILE 161 CO -0.11 0.36 -0.14 -0.08 0.00 0.00 0.00 178.15 178.18 1rnr h GLU 162 N 0.93 -0.38 -0.92 2.37 4.81 -0.64 -1.74 114.58 119.01 1rnr h GLU 162 Ca 0.19 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1rnr h GLU 162 Cb 0.39 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1rnr h GLU 162 CO 0.01 -0.13 0.60 0.52 -0.73 0.00 0.00 179.01 179.28 1rnr h MET 163 N -0.58 1.06 -0.56 1.92 2.86 -0.70 -1.53 114.93 117.40 1rnr h MET 163 Ca -0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1rnr h MET 163 Cb 0.42 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1rnr h MET 163 CO 0.07 0.70 0.29 1.15 1.06 0.00 0.00 176.91 180.18 1rnr h THR 164 N 1.10 1.19 -0.23 2.22 2.02 -0.94 -1.03 112.91 117.24 1rnr h THR 164 Ca 0.39 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1rnr h THR 164 Cb 0.12 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1rnr h THR 164 CO -0.14 0.21 0.15 0.28 0.37 0.00 0.00 175.52 176.40 1rnr h SER 165 N 0.76 0.25 -0.83 4.18 0.02 -0.51 0.21 113.55 117.63 1rnr h SER 165 Ca 0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1rnr h SER 165 Cb 0.08 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1rnr h SER 165 CO -0.03 0.18 0.54 1.88 -1.14 0.00 0.00 176.83 178.26 1rnr h TYR 166 N 0.30 1.06 -0.38 3.45 0.05 -1.00 -0.40 116.97 120.06 1rnr h TYR 166 Ca 0.08 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 1rnr h TYR 166 Cb -0.03 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.34 1rnr h TYR 166 CO -0.06 0.68 -0.19 2.35 -1.05 0.00 0.00 178.16 179.89 1rnr h TRP 167 N 1.14 0.91 -0.59 4.88 7.01 -0.78 0.70 115.95 129.22 1rnr h TRP 167 Ca 0.30 -0.23 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1rnr h TRP 167 Cb -0.11 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.72 1rnr h TRP 167 CO 0.00 0.97 0.29 0.45 -2.79 0.00 0.00 178.44 177.37 1rnr h HIS 168 N 0.59 0.84 0.09 2.65 3.86 -0.07 -1.07 115.15 122.04 1rnr h HIS 168 Ca 0.08 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1rnr h HIS 168 Cb 0.74 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1rnr h HIS 168 CO 0.06 0.64 -0.04 -0.07 0.86 0.00 0.00 177.93 179.37 1rnr h LEU 169 N 0.80 -0.10 0.00 2.43 3.38 -1.05 0.66 115.31 121.43 1rnr h LEU 169 Ca 0.20 -0.22 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 1rnr h LEU 169 Cb 0.10 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1rnr h LEU 169 CO -0.03 0.48 -1.42 -0.07 0.09 0.00 0.00 178.44 177.50 1rnr h LEU 170 N -1.00 0.00 -0.08 1.67 3.38 -0.96 -3.44 115.31 114.88 1rnr h LEU 170 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1rnr h LEU 170 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1rnr h LEU 170 CO 0.02 0.75 -0.17 0.61 0.09 0.00 0.00 178.44 179.74 1rnr n GLY 171 N 1.43 -2.01 3.74 0.83 0.00 -0.40 -4.90 105.19 103.88 1rnr n GLY 171 Ca -0.11 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1rnr n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rnr s GLU 172 N -2.14 2.62 0.00 1.61 2.02 -1.26 -4.67 118.70 116.88 1rnr s GLU 172 Ca 0.00 1.85 0.00 0.00 0.02 0.00 0.00 54.97 56.84 1rnr s GLU 172 Cb 0.00 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1rnr s GLU 172 CO 0.00 -1.49 0.00 0.41 0.02 0.00 0.00 175.26 174.20 1rnr n GLY 173 N 0.53 0.73 3.40 -1.39 0.00 -0.68 -4.92 105.19 102.86 1rnr n GLY 173 Ca 0.14 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1rnr n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rnr s THR 174 N -1.14 3.37 0.23 2.61 2.01 -1.26 -0.54 115.64 120.91 1rnr s THR 174 Ca 0.00 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1rnr s THR 174 Cb 0.00 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 1rnr s THR 174 CO 0.00 0.50 -0.05 -1.00 -0.69 0.00 0.00 174.62 173.38 1rnr s HIS 175 N 0.52 1.68 -0.29 4.92 3.76 0.16 -4.93 115.29 121.12 1rnr s HIS 175 Ca -0.06 -0.77 -0.02 0.00 -0.15 0.00 0.00 55.06 54.05 1rnr s HIS 175 Cb -0.15 -0.93 0.04 0.00 1.11 0.00 0.00 32.58 32.65 1rnr s HIS 175 CO 0.03 0.14 -0.01 0.99 -0.85 0.00 0.00 174.74 175.05 1rnr s THR 176 N -3.20 3.04 -0.26 1.30 2.01 -1.26 -0.71 115.64 116.57 1rnr s THR 176 Ca 0.26 -1.23 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1rnr s THR 176 Cb 0.04 -2.68 0.06 0.00 0.01 0.00 0.00 72.50 69.93 1rnr s THR 176 CO 0.09 -0.01 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.20 1rnr s VAL 177 N 1.29 2.14 -1.39 3.82 1.01 -0.16 -4.69 120.40 122.42 1rnr s VAL 177 Ca -0.03 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 1rnr s VAL 177 Cb -0.19 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1rnr s VAL 177 CO -0.02 -0.02 0.53 0.59 0.00 0.00 0.00 175.10 176.18 1rnr n ASN 178 N 4.44 -0.83 0.00 3.32 3.02 -1.26 -1.38 115.26 122.58 1rnr n ASN 178 Ca -0.14 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1rnr n ASN 178 Cb 0.42 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 1rnr n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rnr n GLY 179 N -1.83 0.57 3.65 7.41 0.00 -1.26 -5.02 105.19 108.71 1rnr n GLY 179 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1rnr n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rnr s LYS 180 N -0.30 2.40 -0.11 1.61 1.02 -0.48 -5.09 119.74 118.78 1rnr s LYS 180 Ca 0.00 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 54.83 1rnr s LYS 180 Cb 0.00 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1rnr s LYS 180 CO 0.00 0.52 0.69 0.99 -0.92 0.00 0.00 175.35 176.62 1rnr s THR 181 N -1.34 5.03 -0.16 2.17 2.01 -1.26 -0.99 115.64 121.09 1rnr s THR 181 Ca 0.25 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.63 1rnr s THR 181 Cb -0.11 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1rnr s THR 181 CO 0.17 0.19 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.48 1rnr s VAL 182 N 1.22 1.54 -0.16 3.82 1.01 0.12 -4.94 120.40 123.01 1rnr s VAL 182 Ca 0.35 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1rnr s VAL 182 Cb -0.17 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1rnr s VAL 182 CO 0.15 0.35 0.08 -0.89 0.00 0.00 0.00 175.10 174.79 1rnr s THR 183 N 1.48 4.94 -0.21 3.92 2.01 -1.26 0.41 115.64 126.92 1rnr s THR 183 Ca 0.03 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1rnr s THR 183 Cb -0.14 -3.20 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1rnr s THR 183 CO -0.10 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.51 1rnr s VAL 184 N -0.04 2.34 -0.02 3.82 1.01 0.29 -4.98 120.40 122.83 1rnr s VAL 184 Ca 0.07 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.02 1rnr s VAL 184 Cb -0.12 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1rnr s VAL 184 CO 0.01 0.33 -0.19 -0.94 0.00 0.00 0.00 175.10 174.31 1rnr s SER 185 N 1.27 2.26 0.37 3.32 1.04 -1.26 -1.68 113.70 119.01 1rnr s SER 185 Ca 0.01 -0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.17 1rnr s SER 185 Cb -0.15 -0.33 0.71 0.00 0.10 0.00 0.00 66.02 66.34 1rnr s SER 185 CO -0.09 0.22 1.87 0.25 0.98 0.00 0.00 173.24 176.47 1rnr h LEU 186 N 5.78 0.24 -0.60 2.42 6.46 -1.98 -2.33 115.31 125.30 1rnr h LEU 186 Ca -0.37 -0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.26 1rnr h LEU 186 Cb 1.15 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1rnr h LEU 186 CO 0.48 0.44 0.08 -0.09 -0.62 0.00 0.00 178.44 178.73 1rnr h ARG 187 N 0.24 1.00 0.00 1.25 2.43 -1.99 0.05 114.38 117.35 1rnr h ARG 187 Ca 0.04 -0.28 -0.09 0.00 -0.81 0.00 0.00 59.98 58.85 1rnr h ARG 187 Cb 0.46 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1rnr h ARG 187 CO 0.03 0.95 -0.41 0.93 -1.51 0.00 0.00 179.97 179.96 1rnr h GLU 188 N 0.90 0.00 -0.07 0.20 4.39 -1.93 -1.83 114.58 116.24 1rnr h GLU 188 Ca 0.18 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.64 1rnr h GLU 188 Cb 0.45 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1rnr h GLU 188 CO 0.02 0.41 -0.90 1.25 -1.16 0.00 0.00 179.01 178.63 1rnr h LEU 189 N 0.00 0.85 -0.78 1.33 6.46 -1.09 -2.68 115.31 119.40 1rnr h LEU 189 Ca -0.00 -0.62 0.03 0.00 -0.12 0.00 0.00 57.88 57.16 1rnr h LEU 189 Cb 0.79 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 1rnr h LEU 189 CO 0.05 1.42 0.50 0.11 -0.62 0.00 0.00 178.44 179.90 1rnr h LYS 190 N 0.43 0.96 -0.79 1.25 1.57 -0.78 0.39 116.57 119.60 1rnr h LYS 190 Ca -0.09 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1rnr h LYS 190 Cb 1.54 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 1rnr h LYS 190 CO 0.18 0.63 0.39 0.87 -0.57 0.00 0.00 179.45 180.95 1rnr h LYS 191 N 0.99 1.14 -0.31 3.15 1.57 -1.31 0.25 116.57 122.04 1rnr h LYS 191 Ca 0.31 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1rnr h LYS 191 Cb -0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1rnr h LYS 191 CO -0.10 0.88 0.13 -0.22 -0.57 0.00 0.00 179.45 179.56 1rnr h LYS 192 N 1.12 0.46 0.41 3.15 1.63 -1.08 -0.33 116.57 121.92 1rnr h LYS 192 Ca 0.27 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1rnr h LYS 192 Cb 0.11 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1rnr h LYS 192 CO -0.04 0.46 -0.20 1.25 -3.45 0.00 0.00 179.45 177.48 1rnr h LEU 193 N 0.35 -0.46 -0.82 5.20 5.85 -0.63 -0.49 115.31 124.32 1rnr h LEU 193 Ca 0.10 -0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.88 1rnr h LEU 193 Cb 0.17 0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.17 1rnr h LEU 193 CO -0.01 -0.16 -0.27 0.22 -0.34 0.00 0.00 178.44 177.87 1rnr h TYR 194 N -0.77 -0.68 0.00 1.25 3.20 -0.87 0.41 116.97 119.50 1rnr h TYR 194 Ca -0.06 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1rnr h TYR 194 Cb 0.53 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1rnr h TYR 194 CO 0.00 -0.38 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.98 1rnr h LEU 195 N -0.04 0.00 0.11 2.82 3.38 -1.01 -1.35 115.31 119.22 1rnr h LEU 195 Ca 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1rnr h LEU 195 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1rnr h LEU 195 CO -0.85 0.10 -0.05 0.00 0.09 0.00 0.00 178.44 177.72 1rnr h LEU 197 N -0.36 0.45 -0.91 0.00 3.38 -0.83 0.16 115.31 117.21 1rnr h LEU 197 Ca -0.02 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1rnr h LEU 197 Cb 0.30 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1rnr h LEU 197 CO 0.03 0.28 0.57 0.24 0.09 0.00 0.00 178.44 179.65 1rnr h MET 198 N 0.60 1.00 -0.45 1.13 2.86 -1.14 0.83 114.93 119.75 1rnr h MET 198 Ca 0.31 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1rnr h MET 198 Cb 0.27 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1rnr h MET 198 CO -0.23 0.66 -0.19 0.77 1.06 0.00 0.00 176.91 178.98 1rnr h SER 199 N 1.02 0.89 -0.31 1.22 0.02 0.34 0.06 113.55 116.80 1rnr h SER 199 Ca 0.40 -0.32 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1rnr h SER 199 Cb 0.20 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1rnr h SER 199 CO -0.18 1.06 -0.20 0.58 -1.14 0.00 0.00 176.83 176.95 1rnr h VAL 200 N 0.77 1.27 -0.38 2.27 2.07 -0.07 -0.05 116.25 122.13 1rnr h VAL 200 Ca 0.11 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1rnr h VAL 200 Cb 0.72 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1rnr h VAL 200 CO 0.06 0.44 0.16 -1.13 0.02 0.00 0.00 177.57 177.11 1rnr h ASN 201 N 0.69 0.20 0.24 0.57 -1.24 -0.36 -1.19 115.58 114.50 1rnr h ASN 201 Ca 0.10 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 57.00 1rnr h ASN 201 Cb 0.71 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 1rnr h ASN 201 CO 0.05 0.15 -0.55 0.00 -1.29 0.00 0.00 177.43 175.80 1rnr h ALA 202 N 1.23 0.86 -0.10 1.57 0.00 -0.49 -1.10 119.26 121.22 1rnr h ALA 202 Ca 0.17 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1rnr h ALA 202 Cb 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rnr h ALA 202 CO -0.15 0.69 -0.52 1.37 0.00 0.00 0.00 179.25 180.64 1rnr h LEU 203 N 0.25 0.63 -0.01 0.00 8.10 -0.59 -2.61 115.31 121.07 1rnr h LEU 203 Ca 0.00 -0.65 -0.00 0.00 0.11 0.00 0.00 57.88 57.35 1rnr h LEU 203 Cb 1.04 -0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 41.08 1rnr h LEU 203 CO 0.09 1.17 0.00 -0.33 -4.11 0.00 0.00 178.44 175.26 1rnr h GLU 204 N 0.13 0.02 0.00 0.17 5.08 -1.24 -2.38 114.58 116.36 1rnr h GLU 204 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1rnr h GLU 204 Cb 1.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1rnr h GLU 204 CO 0.11 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 1rnr h ALA 205 N 0.73 1.00 0.00 3.43 0.00 -1.29 -3.39 119.26 119.74 1rnr h ALA 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rnr h ALA 205 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rnr h ALA 205 CO 0.00 0.00 -0.16 -0.89 0.00 0.00 0.00 179.25 178.20 1rnr n ILE 206 N -3.00 1.00 0.00 0.00 5.41 -0.98 -4.50 119.36 117.28 1rnr n ILE 206 Ca 0.01 0.33 0.00 0.00 1.00 0.00 0.00 62.75 64.09 1rnr n ILE 206 Cb 0.30 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 1rnr n ILE 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1rnr n ARG 207 N -3.42 0.00 0.00 0.38 1.74 -0.90 -1.56 116.66 112.91 1rnr n ARG 207 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1rnr n ARG 207 Cb 0.08 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1rnr n ARG 207 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rnr n TYR 209 N 0.62 0.00 -0.00 -1.55 4.02 -1.26 -2.32 117.16 116.68 1rnr n TYR 209 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1rnr n TYR 209 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 1rnr n TYR 209 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1rnr h VAL 210 N 0.00 1.33 -0.23 -0.72 2.07 -1.64 -2.38 116.25 114.68 1rnr h VAL 210 Ca 0.00 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1rnr h VAL 210 Cb 0.00 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1rnr h VAL 210 CO 0.00 0.29 0.15 0.28 0.02 0.00 0.00 177.57 178.31 1rnr h SER 211 N -0.54 0.23 -0.65 0.57 0.02 -1.73 -0.77 113.55 110.69 1rnr h SER 211 Ca -0.00 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1rnr h SER 211 Cb 0.50 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1rnr h SER 211 CO 0.01 0.17 0.07 -0.26 -1.14 0.00 0.00 176.83 175.67 1rnr h PHE 212 N 0.28 1.19 -0.63 3.45 0.04 -1.79 -1.50 116.94 117.97 1rnr h PHE 212 Ca 0.09 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 1rnr h PHE 212 Cb 0.01 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 1rnr h PHE 212 CO -0.00 1.01 0.15 0.00 -0.60 0.00 0.00 178.31 178.87 1rnr h ALA 213 N 1.03 0.83 -0.45 2.45 0.00 -0.65 0.59 119.26 123.06 1rnr h ALA 213 Ca 0.19 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1rnr h ALA 213 Cb 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1rnr h ALA 213 CO 0.02 0.55 -0.15 0.00 0.00 0.00 0.00 179.25 179.67 1rnr h SER 215 N 0.76 0.38 0.61 0.00 0.02 -0.60 -3.02 113.55 111.70 1rnr h SER 215 Ca 0.12 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1rnr h SER 215 Cb 0.66 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1rnr h SER 215 CO 0.05 0.62 0.00 0.49 -1.14 0.00 0.00 176.83 176.84 1rnr n PHE 216 N -4.66 0.00 0.01 3.45 3.72 0.14 -2.55 117.46 117.57 1rnr n PHE 216 Ca -0.04 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.30 1rnr n PHE 216 Cb 0.25 -0.47 0.13 0.00 -0.94 0.00 0.00 39.48 38.45 1rnr n PHE 216 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rnr h ALA 217 N 2.69 0.91 -0.27 4.37 0.00 -1.34 -0.53 119.26 125.10 1rnr h ALA 217 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1rnr h ALA 217 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rnr h ALA 217 CO 0.00 0.63 -0.30 0.74 0.00 0.00 0.00 179.25 180.32 1rnr h PHE 218 N 0.43 0.82 -1.00 0.00 0.04 -1.62 -3.11 116.94 112.50 1rnr h PHE 218 Ca 0.04 -0.25 0.05 0.00 2.80 0.00 0.00 57.97 60.61 1rnr h PHE 218 Cb 0.87 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.79 1rnr h PHE 218 CO 0.03 0.99 0.65 0.00 -0.60 0.00 0.00 178.31 179.39 1rnr h ALA 219 N 0.68 1.37 0.00 2.45 0.00 -1.39 -1.35 119.26 121.02 1rnr h ALA 219 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rnr h ALA 219 Cb 0.87 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rnr h ALA 219 CO 0.07 0.51 -0.01 0.93 0.00 0.00 0.00 179.25 180.75 1rnr h GLU 220 N 1.23 0.00 -0.53 0.00 4.39 -1.04 -0.94 114.58 117.68 1rnr h GLU 220 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1rnr h GLU 220 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1rnr h GLU 220 CO -0.14 0.01 0.00 0.54 -1.16 0.00 0.00 179.01 178.26 1rnr n ARG 221 N -3.28 4.20 -2.73 2.33 1.74 -0.60 -4.97 116.66 113.36 1rnr n ARG 221 Ca -0.02 -3.01 -0.19 0.00 -0.77 0.00 0.00 57.85 53.85 1rnr n ARG 221 Cb 0.12 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1rnr n ARG 221 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1rnr n GLU 222 N 0.55 -2.99 -4.02 5.56 4.07 -0.36 -5.02 120.64 118.43 1rnr n GLU 222 Ca 0.26 0.80 -0.22 0.00 -0.06 0.00 0.00 57.16 57.93 1rnr n GLU 222 Cb 1.05 -5.51 -0.05 0.00 -0.06 0.00 0.00 31.44 26.86 1rnr n GLU 222 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1rnr s LEU 223 N -6.18 3.37 -1.64 4.31 1.43 -0.66 -4.72 118.68 114.60 1rnr s LEU 223 Ca 0.14 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 1rnr s LEU 223 Cb -0.07 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 44.40 1rnr s LEU 223 CO 0.18 -0.30 0.79 0.23 0.23 0.00 0.00 176.35 177.48 1rnr n MET 224 N -1.21 -3.54 -0.12 1.70 2.81 -1.26 -3.02 117.12 112.48 1rnr n MET 224 Ca -0.03 0.41 -0.01 0.00 -1.81 0.00 0.00 57.70 56.26 1rnr n MET 224 Cb 0.61 -5.17 0.24 0.00 -0.71 0.00 0.00 33.22 28.18 1rnr n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1rnr h GLU 225 N -1.53 0.81 -0.05 0.03 3.07 -1.93 -0.39 114.58 114.59 1rnr h GLU 225 Ca -0.57 -0.12 0.01 0.00 -0.50 0.00 0.00 59.36 58.17 1rnr h GLU 225 Cb 1.37 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1rnr h GLU 225 CO 0.74 0.67 0.00 0.78 -1.40 0.00 0.00 179.01 179.80 1rnr h GLY 226 N 0.93 0.05 0.85 -3.84 0.00 -1.90 0.26 103.07 99.42 1rnr h GLY 226 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1rnr h GLY 226 CO -0.02 -0.01 0.62 -0.57 0.00 0.00 0.00 176.54 176.57 1rnr h ASN 227 N 0.02 1.03 0.00 0.19 -0.73 -1.81 -0.90 115.58 113.38 1rnr h ASN 227 Ca 0.02 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 1rnr h ASN 227 Cb 0.02 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 1rnr h ASN 227 CO -0.04 0.70 -0.06 0.00 -0.37 0.00 0.00 177.43 177.67 1rnr h ALA 228 N 1.40 1.72 0.02 1.57 0.00 -0.53 -0.14 119.26 123.30 1rnr h ALA 228 Ca 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rnr h ALA 228 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rnr h ALA 228 CO -0.13 0.21 -0.01 0.87 0.00 0.00 0.00 179.25 180.19 1rnr h LYS 229 N 0.15 -0.03 -0.12 0.00 1.57 0.44 -1.54 116.57 117.03 1rnr h LYS 229 Ca 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1rnr h LYS 229 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1rnr h LYS 229 CO 0.01 0.30 0.04 0.82 -0.57 0.00 0.00 179.45 180.05 1rnr h ILE 230 N -0.36 0.96 -0.48 1.86 2.04 -1.06 -2.44 117.51 118.03 1rnr h ILE 230 Ca -0.00 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1rnr h ILE 230 Cb 0.34 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1rnr h ILE 230 CO 0.01 0.02 0.16 0.40 0.00 0.00 0.00 178.15 178.73 1rnr h ILE 231 N 0.10 1.19 0.00 -0.67 1.08 -1.03 0.21 117.51 118.38 1rnr h ILE 231 Ca 0.05 -0.64 -0.06 0.00 -0.39 0.00 0.00 64.86 63.81 1rnr h ILE 231 Cb 0.03 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 1rnr h ILE 231 CO -0.06 0.24 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.25 1rnr h ARG 232 N 0.69 0.00 -0.06 2.37 2.43 -0.89 0.36 114.38 119.28 1rnr h ARG 232 Ca 0.16 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.13 1rnr h ARG 232 Cb 0.19 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1rnr h ARG 232 CO -0.01 0.31 -0.75 -0.07 -1.51 0.00 0.00 179.97 177.93 1rnr h LEU 233 N 0.00 0.77 -0.20 3.80 4.07 -0.56 -2.25 115.31 120.95 1rnr h LEU 233 Ca -0.00 -0.70 -0.00 0.00 0.08 0.00 0.00 57.88 57.26 1rnr h LEU 233 Cb 0.63 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1rnr h LEU 233 CO 0.04 1.35 0.11 0.40 -1.08 0.00 0.00 178.44 179.26 1rnr h ILE 234 N 0.25 1.11 -0.91 1.22 2.04 -0.74 -2.30 117.51 118.20 1rnr h ILE 234 Ca -0.08 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.54 1rnr h ILE 234 Cb 1.41 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 1rnr h ILE 234 CO 0.15 0.11 0.57 0.00 0.00 0.00 0.00 178.15 178.98 1rnr h ALA 235 N 0.99 1.25 -0.17 1.87 0.00 -0.93 0.11 119.26 122.38 1rnr h ALA 235 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1rnr h ALA 235 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1rnr h ALA 235 CO -0.01 0.34 -0.07 -0.09 0.00 0.00 0.00 179.25 179.41 1rnr h ARG 236 N 1.04 0.26 -0.04 0.00 2.43 -1.01 -1.52 114.38 115.55 1rnr h ARG 236 Ca 0.39 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.28 1rnr h ARG 236 Cb 0.16 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1rnr h ARG 236 CO -0.17 0.35 -0.93 -0.44 -1.51 0.00 0.00 179.97 177.27 1rnr h ASP 237 N 0.25 0.74 -0.08 -3.80 3.32 -0.40 -3.26 116.42 113.19 1rnr h ASP 237 Ca 0.06 -0.56 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1rnr h ASP 237 Cb 0.29 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1rnr h ASP 237 CO 0.01 1.36 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.46 1rnr h GLU 238 N 0.35 0.37 -0.11 3.56 4.39 -0.06 -1.00 114.58 122.08 1rnr h GLU 238 Ca -0.09 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.55 1rnr h GLU 238 Cb 1.56 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1rnr h GLU 238 CO 0.17 0.48 0.09 0.00 -1.16 0.00 0.00 179.01 178.60 1rnr h ALA 239 N 1.55 1.94 0.23 3.43 0.00 -1.35 -1.60 119.26 123.46 1rnr h ALA 239 Ca 0.07 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 1rnr h ALA 239 Cb 0.40 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.23 1rnr h ALA 239 CO 0.02 -0.15 -1.45 -0.07 0.00 0.00 0.00 179.25 177.60 1rnr h LEU 240 N 0.00 0.76 -1.28 0.00 3.38 -1.33 -2.81 115.31 114.03 1rnr h LEU 240 Ca 0.05 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.07 1rnr h LEU 240 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1rnr h LEU 240 CO -0.00 1.69 0.21 0.45 0.09 0.00 0.00 178.44 180.87 1rnr h HIS 241 N 0.07 0.70 0.02 1.13 3.86 -0.50 -1.72 115.15 118.70 1rnr h HIS 241 Ca -0.26 -0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 58.69 1rnr h HIS 241 Cb 2.09 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 30.35 1rnr h HIS 241 CO 0.13 0.54 -0.99 1.25 0.86 0.00 0.00 177.93 179.72 1rnr h LEU 242 N 0.70 0.56 -0.63 2.43 6.46 -1.44 -2.55 115.31 120.83 1rnr h LEU 242 Ca 0.17 -0.47 -0.09 0.00 -0.12 0.00 0.00 57.88 57.37 1rnr h LEU 242 Cb 0.13 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1rnr h LEU 242 CO -0.02 1.27 0.04 0.74 -0.62 0.00 0.00 178.44 179.86 1rnr h THR 243 N 0.23 1.27 -0.47 1.05 2.02 -1.14 -1.29 112.91 114.58 1rnr h THR 243 Ca -0.09 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 65.92 1rnr h THR 243 Cb 1.64 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1rnr h THR 243 CO 0.17 0.41 0.07 1.23 0.37 0.00 0.00 175.52 177.77 1rnr h GLY 244 N 1.00 0.84 1.43 2.16 0.00 -1.27 -0.31 103.07 106.91 1rnr h GLY 244 Ca 0.18 -0.56 -0.18 0.00 0.00 0.00 0.00 47.33 46.77 1rnr h GLY 244 CO 0.02 0.52 -0.64 -0.91 0.00 0.00 0.00 176.54 175.54 1rnr h THR 245 N 0.64 1.33 -0.34 4.70 1.35 -1.37 -0.76 112.91 118.46 1rnr h THR 245 Ca 0.14 -1.92 -0.10 0.00 -0.55 0.00 0.00 66.41 63.98 1rnr h THR 245 Cb 0.40 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1rnr h THR 245 CO 0.01 0.59 -0.20 1.56 -0.25 0.00 0.00 175.52 177.23 1rnr h GLN 246 N 0.42 0.65 -0.16 4.72 4.20 -1.20 0.34 115.11 124.09 1rnr h GLN 246 Ca -0.01 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 1rnr h GLN 246 Cb 1.21 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 1rnr h GLN 246 CO 0.12 0.81 -0.18 0.45 -0.67 0.00 0.00 178.83 179.36 1rnr h HIS 247 N 0.57 0.49 -0.13 2.96 3.86 -0.95 0.10 115.15 122.05 1rnr h HIS 247 Ca 0.09 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1rnr h HIS 247 Cb 0.66 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 1rnr h HIS 247 CO 0.03 0.80 -0.12 0.52 0.86 0.00 0.00 177.93 180.02 1rnr h MET 248 N 0.04 -0.14 -0.66 2.45 2.86 -1.00 -0.58 114.93 117.91 1rnr h MET 248 Ca 0.02 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1rnr h MET 248 Cb 0.73 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1rnr h MET 248 CO 0.04 -0.09 0.15 -0.07 1.06 0.00 0.00 176.91 178.00 1rnr h LEU 249 N -0.14 0.98 -0.56 1.22 3.38 -0.88 -2.32 115.31 116.99 1rnr h LEU 249 Ca 0.09 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1rnr h LEU 249 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1rnr h LEU 249 CO -0.22 0.95 -0.69 0.78 0.09 0.00 0.00 178.44 179.36 1rnr h ASN 250 N 0.99 0.22 0.25 -0.43 2.35 -0.75 -1.57 115.58 116.63 1rnr h ASN 250 Ca 0.21 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 1rnr h ASN 250 Cb 0.36 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1rnr h ASN 250 CO 0.00 0.83 -0.49 -0.07 -1.65 0.00 0.00 177.43 176.06 1rnr h LEU 251 N 0.13 0.30 -0.18 1.61 3.38 -0.91 -0.86 115.31 118.77 1rnr h LEU 251 Ca -0.02 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1rnr h LEU 251 Cb 1.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rnr h LEU 251 CO 0.10 0.74 -0.19 -0.07 0.09 0.00 0.00 178.44 179.12 1rnr h LEU 252 N 0.22 0.48 -0.93 1.67 3.38 -1.18 -3.13 115.31 115.82 1rnr h LEU 252 Ca 0.01 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1rnr h LEU 252 Cb 0.95 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1rnr h LEU 252 CO 0.08 0.86 0.61 -0.09 0.09 0.00 0.00 178.44 179.99 1rnr h ARG 253 N 0.10 1.16 0.00 1.13 9.65 -1.21 -2.38 114.38 122.82 1rnr h ARG 253 Ca 0.03 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1rnr h ARG 253 Cb 0.73 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1rnr h ARG 253 CO 0.05 0.76 0.00 -1.13 2.80 0.00 0.00 179.97 182.45 1rnr n SER 254 N -4.48 0.00 -0.44 -3.80 3.41 -0.34 -4.72 113.62 103.24 1rnr n SER 254 Ca 0.12 0.39 -0.06 0.00 -0.26 0.00 0.00 58.87 59.06 1rnr n SER 254 Cb 0.07 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1rnr n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rnr n GLY 255 N -0.92 0.74 0.01 5.00 0.00 -0.90 -4.84 105.19 104.27 1rnr n GLY 255 Ca 0.02 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1rnr n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rnr n ALA 256 N 1.11 3.67 -2.01 4.61 0.00 -1.25 -4.49 120.51 122.16 1rnr n ALA 256 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1rnr n ALA 256 Cb 0.34 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1rnr n ALA 256 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rnr n ASP 257 N -1.58 0.00 -4.65 0.00 2.03 -1.26 -4.95 116.55 106.15 1rnr n ASP 257 Ca 0.05 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 1rnr n ASP 257 Cb 0.35 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 1rnr n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1rnr s ASP 258 N -0.92 6.91 0.28 1.67 2.15 -1.26 -4.92 116.67 120.57 1rnr s ASP 258 Ca 0.00 1.12 0.01 0.00 0.43 0.00 0.00 52.55 54.11 1rnr s ASP 258 Cb 0.00 -2.47 0.64 0.00 -0.30 0.00 0.00 42.92 40.79 1rnr s ASP 258 CO 0.00 -0.59 1.69 1.55 -0.17 0.00 0.00 175.17 177.66 1rnr h PRO 259 N 7.66 0.36 -0.04 4.34 0.13 -1.93 -1.30 132.00 141.21 1rnr h PRO 259 Ca -0.22 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1rnr h PRO 259 Cb 1.08 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1rnr h PRO 259 CO 0.91 0.24 -0.02 1.49 -0.23 0.00 0.00 178.00 180.39 1rnr h GLU 260 N 0.37 0.06 0.00 0.86 4.81 -1.96 -1.44 114.58 117.27 1rnr h GLU 260 Ca 0.51 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.62 1rnr h GLU 260 Cb 0.94 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1rnr h GLU 260 CO -0.52 0.08 -0.54 0.52 -0.73 0.00 0.00 179.01 177.82 1rnr h MET 261 N 0.06 0.00 -0.30 1.92 2.86 -1.53 -0.32 114.93 117.61 1rnr h MET 261 Ca 0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1rnr h MET 261 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1rnr h MET 261 CO 0.00 0.54 -0.25 0.00 1.06 0.00 0.00 176.91 178.26 1rnr h ALA 262 N 1.46 0.43 -0.21 6.32 0.00 -1.22 0.24 119.26 126.29 1rnr h ALA 262 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1rnr h ALA 262 Cb 1.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1rnr h ALA 262 CO 0.07 0.42 0.11 0.93 0.00 0.00 0.00 179.25 180.78 1rnr h GLU 263 N 0.45 0.22 -0.24 0.00 5.08 -1.18 -2.47 114.58 116.43 1rnr h GLU 263 Ca 0.05 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1rnr h GLU 263 Cb 0.82 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1rnr h GLU 263 CO 0.07 0.15 0.03 0.82 -1.00 0.00 0.00 179.01 179.07 1rnr h ILE 264 N 0.23 0.87 -0.20 3.13 1.08 -0.83 0.06 117.51 121.84 1rnr h ILE 264 Ca 0.08 -0.04 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1rnr h ILE 264 Cb 0.01 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 1rnr h ILE 264 CO -0.05 0.02 -0.02 0.00 -0.69 0.00 0.00 178.15 177.41 1rnr h ALA 265 N 1.19 0.16 0.66 1.87 0.00 -0.91 0.17 119.26 122.40 1rnr h ALA 265 Ca 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1rnr h ALA 265 Cb 0.12 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rnr h ALA 265 CO -0.16 -0.45 -0.43 0.93 0.00 0.00 0.00 179.25 179.14 1rnr h GLU 266 N 0.04 -0.99 -0.56 0.00 5.08 -1.06 -2.13 114.58 114.96 1rnr h GLU 266 Ca 0.10 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 1rnr h GLU 266 Cb 0.13 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1rnr h GLU 266 CO -0.18 -0.66 0.38 0.93 -1.00 0.00 0.00 179.01 178.49 1rnr h GLU 267 N -1.03 0.29 -0.65 2.33 5.08 -0.77 -1.88 114.58 117.95 1rnr h GLU 267 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1rnr h GLU 267 Cb 0.84 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1rnr h GLU 267 CO 0.07 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1rnr h LYS 269 N 4.14 0.68 -0.17 0.00 3.64 -0.64 -0.44 116.57 123.77 1rnr h LYS 269 Ca 0.00 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1rnr h LYS 269 Cb 0.97 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1rnr h LYS 269 CO 0.00 0.45 -0.41 0.37 -2.27 0.00 0.00 179.45 177.59 1rnr h GLN 270 N 0.70 0.39 -0.27 1.90 5.75 -1.83 -0.39 115.11 121.36 1rnr h GLN 270 Ca 0.51 -0.19 -0.14 0.00 -0.15 0.00 0.00 58.65 58.68 1rnr h GLN 270 Cb 0.86 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1rnr h GLN 270 CO -0.27 0.74 -0.41 0.93 -2.65 0.00 0.00 178.83 177.17 1rnr h GLU 271 N 0.32 0.65 -0.35 1.69 5.08 -1.47 -0.06 114.58 120.44 1rnr h GLU 271 Ca 0.03 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1rnr h GLU 271 Cb 0.86 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1rnr h GLU 271 CO 0.07 0.94 -0.25 0.00 -1.00 0.00 0.00 179.01 178.77 1rnr h TYR 273 N 0.61 -0.07 -0.61 0.00 5.03 -0.88 -3.22 116.97 117.83 1rnr h TYR 273 Ca 0.08 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 1rnr h TYR 273 Cb 0.75 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 39.02 1rnr h TYR 273 CO 0.04 0.04 0.36 -0.44 -1.32 0.00 0.00 178.16 176.84 1rnr h ASP 274 N -0.17 0.72 1.03 -2.11 3.32 -0.73 -1.96 116.42 116.53 1rnr h ASP 274 Ca -0.01 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1rnr h ASP 274 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1rnr h ASP 274 CO 0.01 0.56 -0.36 0.17 -1.72 0.00 0.00 179.24 177.90 1rnr h LEU 275 N 0.84 0.00 -0.22 1.55 8.10 -1.16 -0.04 115.31 124.38 1rnr h LEU 275 Ca 0.22 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.08 1rnr h LEU 275 Cb -0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.19 1rnr h LEU 275 CO -0.04 0.36 -0.38 -0.26 -4.11 0.00 0.00 178.44 174.01 1rnr h PHE 276 N 0.00 0.81 -0.62 0.17 0.04 -1.51 0.10 116.94 115.93 1rnr h PHE 276 Ca -0.00 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.46 1rnr h PHE 276 Cb 0.97 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 1rnr h PHE 276 CO 0.00 1.04 0.30 0.28 -0.60 0.00 0.00 178.31 179.33 1rnr h VAL 277 N 0.34 1.21 -0.61 -0.55 2.07 -1.10 -1.18 116.25 116.44 1rnr h VAL 277 Ca 0.01 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1rnr h VAL 277 Cb 0.98 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1rnr h VAL 277 CO 0.09 0.24 0.07 1.56 0.02 0.00 0.00 177.57 179.55 1rnr h GLN 278 N 0.85 1.02 -0.36 1.57 7.50 -0.82 -1.11 115.11 123.75 1rnr h GLN 278 Ca 0.21 -0.27 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 1rnr h GLN 278 Cb 0.11 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 1rnr h GLN 278 CO -0.03 0.95 0.04 0.00 -1.50 0.00 0.00 178.83 178.30 1rnr h ALA 279 N 1.12 0.48 -0.99 3.87 0.00 -0.79 -0.75 119.26 122.21 1rnr h ALA 279 Ca 0.19 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rnr h ALA 279 Cb 0.45 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1rnr h ALA 279 CO 0.02 0.20 0.65 0.00 0.00 0.00 0.00 179.25 180.12 1rnr h ALA 280 N 0.90 1.33 -0.35 0.00 0.00 -0.94 -1.62 119.26 118.58 1rnr h ALA 280 Ca 0.11 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1rnr h ALA 280 Cb 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rnr h ALA 280 CO 0.01 0.59 -0.28 0.37 0.00 0.00 0.00 179.25 179.94 1rnr h GLN 281 N 1.28 0.72 -0.76 0.00 5.75 -0.61 -2.29 115.11 119.21 1rnr h GLN 281 Ca 0.38 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1rnr h GLN 281 Cb -0.05 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 1rnr h GLN 281 CO -0.11 0.91 0.41 1.96 -2.65 0.00 0.00 178.83 179.36 1rnr h GLN 282 N 0.62 1.06 -0.07 1.69 4.20 -0.48 -1.28 115.11 120.85 1rnr h GLN 282 Ca 0.08 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1rnr h GLN 282 Cb 0.78 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1rnr h GLN 282 CO 0.06 0.78 -0.34 0.93 -0.67 0.00 0.00 178.83 179.59 1rnr h GLU 283 N 1.06 0.14 0.08 1.46 3.07 -0.78 -2.60 114.58 117.02 1rnr h GLU 283 Ca 0.27 -0.05 -0.29 0.00 -0.50 0.00 0.00 59.36 58.79 1rnr h GLU 283 Cb 0.04 -0.01 0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1rnr h GLU 283 CO -0.04 0.47 -1.18 0.87 -1.40 0.00 0.00 179.01 177.73 1rnr h LYS 284 N 0.12 0.63 0.00 2.33 1.57 -1.00 -3.21 116.57 117.01 1rnr h LYS 284 Ca 0.01 -0.79 -0.04 0.00 -1.87 0.00 0.00 60.65 57.96 1rnr h LYS 284 Cb 0.67 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1rnr h LYS 284 CO 0.05 1.35 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.64 1rnr h ASP 285 N 0.30 0.00 -0.91 0.86 3.32 -1.10 -1.61 116.42 117.28 1rnr h ASP 285 Ca -0.17 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.94 1rnr h ASP 285 Cb 1.85 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.34 1rnr h ASP 285 CO 0.23 0.21 0.58 -0.25 -1.72 0.00 0.00 179.24 178.28 1rnr h TRP 286 N 0.00 1.07 -0.97 4.55 2.91 -1.47 -2.83 115.95 119.22 1rnr h TRP 286 Ca -0.00 0.03 0.20 0.00 1.13 0.00 0.00 58.89 60.24 1rnr h TRP 286 Cb 0.38 -0.35 -0.09 0.00 -0.51 0.00 0.00 29.16 28.59 1rnr h TRP 286 CO 0.00 0.56 0.61 0.00 -1.03 0.00 0.00 178.44 178.59 1rnr h ALA 287 N 1.41 1.92 -0.96 2.65 0.00 -1.36 0.32 119.26 123.25 1rnr h ALA 287 Ca 0.39 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.41 1rnr h ALA 287 Cb 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1rnr h ALA 287 CO -0.16 -0.26 0.62 -0.44 0.00 0.00 0.00 179.25 179.02 1rnr h ASP 288 N 0.61 0.97 0.67 0.00 3.32 -1.62 0.95 116.42 121.32 1rnr h ASP 288 Ca 0.53 0.01 -0.27 0.00 0.02 0.00 0.00 57.03 57.33 1rnr h ASP 288 Cb 1.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 1rnr h ASP 288 CO -0.28 0.62 -1.35 0.22 -1.72 0.00 0.00 179.24 176.72 1rnr h TYR 289 N 1.10 0.21 -0.59 4.55 3.20 -0.62 -2.80 116.97 122.01 1rnr h TYR 289 Ca 0.42 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 1rnr h TYR 289 Cb 0.20 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1rnr h TYR 289 CO -0.00 1.16 -0.02 1.25 -1.64 0.00 0.00 178.16 178.91 1rnr h LEU 290 N 0.03 1.05 -3.33 2.82 5.85 0.04 -3.13 115.31 118.65 1rnr h LEU 290 Ca -0.16 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1rnr h LEU 290 Cb 1.92 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1rnr h LEU 290 CO 0.14 1.11 0.01 0.49 -0.34 0.00 0.00 178.44 179.85 1rnr n PHE 291 N -4.18 1.15 -0.22 1.25 3.72 0.25 -4.41 117.46 115.01 1rnr n PHE 291 Ca 0.03 -0.95 0.06 0.00 -0.05 0.00 0.00 57.45 56.53 1rnr n PHE 291 Cb 0.36 -0.37 0.32 0.00 -0.94 0.00 0.00 39.48 38.85 1rnr n PHE 291 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1rnr h ARG 292 N 1.97 0.80 -0.51 -1.08 1.12 -1.43 -0.66 114.38 114.58 1rnr h ARG 292 Ca 0.04 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1rnr h ARG 292 Cb 1.57 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.35 1rnr h ARG 292 CO 0.30 0.53 0.00 -0.25 -3.11 0.00 0.00 179.97 177.43 1rnr n ASP 293 N -4.49 2.76 0.00 -3.80 8.00 -1.26 -5.00 116.55 112.76 1rnr n ASP 293 Ca 0.12 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1rnr n ASP 293 Cb 0.24 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1rnr n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rnr n GLY 294 N 1.25 3.41 0.39 0.44 0.00 -0.25 -4.76 105.19 105.68 1rnr n GLY 294 Ca 0.17 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 1rnr n GLY 294 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rnr n SER 295 N 0.00 0.16 -4.43 1.61 7.64 -1.26 -4.58 113.62 112.76 1rnr n SER 295 Ca 0.00 -1.13 -0.21 0.00 1.01 0.00 0.00 58.87 58.54 1rnr n SER 295 Cb 0.00 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 1rnr n SER 295 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1rnr s MET 296 N -2.51 1.56 0.00 1.43 -1.94 -0.71 -4.89 119.30 112.24 1rnr s MET 296 Ca 0.07 -1.80 -0.02 0.00 -1.71 0.00 0.00 55.69 52.23 1rnr s MET 296 Cb -0.00 -1.15 -0.01 0.00 2.01 0.00 0.00 34.83 35.68 1rnr s MET 296 CO 0.04 0.03 1.00 0.82 -0.01 0.00 0.00 175.02 176.90 1rnr h ILE 297 N 2.26 0.00 -0.34 2.53 1.08 -2.02 -2.80 117.51 118.23 1rnr h ILE 297 Ca -0.40 -0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 63.89 1rnr h ILE 297 Cb 1.23 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.88 1rnr h ILE 297 CO 0.67 0.00 0.22 0.61 -0.69 0.00 0.00 178.15 178.96 1rnr n GLY 298 N -0.96 2.84 2.92 5.37 0.00 -1.26 -4.70 105.19 109.39 1rnr n GLY 298 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1rnr n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rnr s LEU 299 N -1.13 -0.66 0.33 0.99 2.96 -1.05 -5.01 118.68 115.10 1rnr s LEU 299 Ca 0.20 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1rnr s LEU 299 Cb 0.16 1.13 -0.01 0.00 0.50 0.00 0.00 46.19 47.97 1rnr s LEU 299 CO 0.04 -0.31 0.38 0.54 -1.32 0.00 0.00 176.35 175.68 1rnr s ASN 300 N 2.55 1.11 0.25 3.68 2.20 -1.26 -1.74 114.94 121.72 1rnr s ASN 300 Ca 0.12 -1.56 -0.04 0.00 -0.94 0.00 0.00 52.86 50.45 1rnr s ASN 300 Cb -0.15 0.60 0.42 0.00 -2.00 0.00 0.00 41.25 40.12 1rnr s ASN 300 CO -0.18 -1.18 1.81 0.50 -2.94 0.00 0.00 177.10 175.10 1rnr h LYS 301 N 2.16 0.76 -0.44 3.55 3.64 -1.97 -1.60 116.57 122.66 1rnr h LYS 301 Ca -0.28 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.96 1rnr h LYS 301 Cb 1.24 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1rnr h LYS 301 CO 0.39 0.50 -0.11 -0.44 -2.27 0.00 0.00 179.45 177.52 1rnr h ASP 302 N 0.78 0.79 -0.45 4.20 3.32 -1.98 0.15 116.42 123.24 1rnr h ASP 302 Ca 0.41 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 1rnr h ASP 302 Cb 0.40 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1rnr h ASP 302 CO -0.26 0.92 -0.21 0.40 -1.72 0.00 0.00 179.24 178.38 1rnr h ILE 303 N 0.73 1.27 -0.47 0.35 2.04 -1.89 -1.70 117.51 117.84 1rnr h ILE 303 Ca 0.12 -1.36 -0.13 0.00 1.00 0.00 0.00 64.86 64.49 1rnr h ILE 303 Cb 0.60 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1rnr h ILE 303 CO 0.04 0.46 -0.22 0.25 0.00 0.00 0.00 178.15 178.68 1rnr h LEU 304 N 0.77 0.98 -0.13 1.44 6.46 -0.99 -1.07 115.31 122.77 1rnr h LEU 304 Ca 0.10 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1rnr h LEU 304 Cb 0.78 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1rnr h LEU 304 CO 0.06 1.16 0.06 0.00 -0.62 0.00 0.00 178.44 179.10 1rnr h GLN 306 N 0.06 0.00 -0.25 0.00 3.07 -1.21 -2.13 115.11 114.66 1rnr h GLN 306 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.73 1rnr h GLN 306 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 1rnr h GLN 306 CO -0.00 0.35 -0.04 -0.92 0.09 0.00 0.00 178.83 178.30 1rnr h TYR 307 N 0.00 0.52 -0.48 0.06 3.20 -0.91 -0.10 116.97 119.26 1rnr h TYR 307 Ca -0.00 -0.11 0.06 0.00 3.14 0.00 0.00 58.73 61.82 1rnr h TYR 307 Cb 0.92 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1rnr h TYR 307 CO 0.00 0.67 0.17 0.28 -1.64 0.00 0.00 178.16 177.64 1rnr h VAL 308 N 0.21 0.84 -0.46 1.81 2.07 -1.14 -0.14 116.25 119.45 1rnr h VAL 308 Ca 0.06 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1rnr h VAL 308 Cb 0.50 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1rnr h VAL 308 CO 0.02 0.06 0.25 -0.08 0.02 0.00 0.00 177.57 177.84 1rnr h GLU 309 N 0.34 0.48 -0.41 1.57 4.81 -1.18 0.12 114.58 120.30 1rnr h GLU 309 Ca 0.23 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1rnr h GLU 309 Cb 0.24 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1rnr h GLU 309 CO -0.24 0.32 0.13 -0.92 -0.73 0.00 0.00 179.01 177.57 1rnr h TYR 310 N 0.49 0.66 0.07 0.92 3.20 0.03 -2.73 116.97 119.61 1rnr h TYR 310 Ca 0.19 -0.07 -0.24 0.00 3.14 0.00 0.00 58.73 61.75 1rnr h TYR 310 Cb 0.07 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1rnr h TYR 310 CO -0.09 0.61 -1.09 0.97 -1.64 0.00 0.00 178.16 176.92 1rnr h ILE 311 N 0.52 1.53 -0.72 1.81 6.09 -0.56 -2.97 117.51 123.21 1rnr h ILE 311 Ca 0.13 -2.98 -0.00 0.00 -1.37 0.00 0.00 64.86 60.64 1rnr h ILE 311 Cb 0.26 2.78 -0.03 0.00 0.47 0.00 0.00 36.82 40.29 1rnr h ILE 311 CO -0.00 0.87 0.44 0.74 -3.07 0.00 0.00 178.15 177.12 1rnr h THR 312 N 0.08 1.21 -0.71 2.19 2.02 -0.71 -0.20 112.91 116.79 1rnr h THR 312 Ca -0.09 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1rnr h THR 312 Cb 1.80 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1rnr h THR 312 CO 0.17 0.21 0.30 0.78 0.37 0.00 0.00 175.52 177.35 1rnr h ASN 313 N 0.99 0.96 -0.06 4.18 4.21 -1.49 -0.73 115.58 123.63 1rnr h ASN 313 Ca 0.26 -0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1rnr h ASN 313 Cb -0.03 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 36.92 1rnr h ASN 313 CO -0.05 0.84 0.00 0.40 -1.29 0.00 0.00 177.43 177.34 1rnr h ILE 314 N 1.03 1.24 -0.61 2.81 2.04 -1.10 -2.49 117.51 120.42 1rnr h ILE 314 Ca 0.24 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1rnr h ILE 314 Cb 0.18 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1rnr h ILE 314 CO -0.02 0.20 0.30 0.03 0.00 0.00 0.00 178.15 178.66 1rnr h ARG 315 N -0.16 0.87 -0.55 2.37 2.47 -0.75 -2.85 114.38 115.78 1rnr h ARG 315 Ca 0.02 -0.12 -0.08 0.00 -1.26 0.00 0.00 59.98 58.53 1rnr h ARG 315 Cb 0.32 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1rnr h ARG 315 CO 0.00 0.70 0.01 0.52 0.56 0.00 0.00 179.97 181.76 1rnr h MET 316 N 0.83 0.93 -0.65 0.04 2.86 -1.16 -2.98 114.93 114.81 1rnr h MET 316 Ca 0.21 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 1rnr h MET 316 Cb 0.10 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1rnr h MET 316 CO -0.03 0.91 0.07 0.37 1.06 0.00 0.00 176.91 179.29 1rnr h GLN 317 N 0.86 1.11 0.00 1.72 4.15 -1.29 -0.18 115.11 121.48 1rnr h GLN 317 Ca 0.16 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1rnr h GLN 317 Cb 0.49 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1rnr h GLN 317 CO 0.02 1.04 0.00 0.00 -1.93 0.00 0.00 178.83 177.96 1rnr h ALA 318 N 1.03 1.00 -0.11 3.38 0.00 -1.35 0.15 119.26 123.36 1rnr h ALA 318 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rnr h ALA 318 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rnr h ALA 318 CO 0.02 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.60 1rnr n VAL 319 N -2.52 1.96 -1.70 0.00 0.24 -0.99 -4.99 118.33 110.33 1rnr n VAL 319 Ca -0.01 -2.01 -0.07 0.00 -2.04 0.00 0.00 64.34 60.21 1rnr n VAL 319 Cb 0.09 -0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.26 1rnr n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rnr n GLY 320 N -0.97 0.46 3.98 7.63 0.00 0.52 -5.00 105.19 111.81 1rnr n GLY 320 Ca 0.17 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 1rnr n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rnr s LEU 321 N -1.74 3.53 0.33 0.99 1.43 -0.12 -4.99 118.68 118.11 1rnr s LEU 321 Ca 0.00 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 1rnr s LEU 321 Cb 0.00 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 1rnr s LEU 321 CO 0.00 -0.87 0.98 -1.81 0.23 0.00 0.00 176.35 174.88 1rnr s ASP 322 N -4.32 7.23 -0.24 2.29 1.01 -1.26 -4.21 116.67 117.17 1rnr s ASP 322 Ca 0.53 1.92 -0.26 0.00 0.71 0.00 0.00 52.55 55.45 1rnr s ASP 322 Cb -0.10 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 1rnr s ASP 322 CO 0.36 -0.15 0.88 -0.76 0.21 0.00 0.00 175.17 175.72 1rnr s LEU 323 N -2.08 4.08 0.23 1.23 1.43 -1.26 -4.90 118.68 117.41 1rnr s LEU 323 Ca 0.51 1.11 0.14 0.00 -1.03 0.00 0.00 54.13 54.86 1rnr s LEU 323 Cb -0.21 -3.28 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 1rnr s LEU 323 CO 0.26 -0.56 1.37 1.55 0.23 0.00 0.00 176.35 179.20 1rnr h PRO 324 N 7.63 0.00 -6.18 1.29 0.13 -1.96 -3.48 132.00 129.44 1rnr h PRO 324 Ca -0.22 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.40 1rnr h PRO 324 Cb 1.08 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1rnr h PRO 324 CO 0.90 0.57 -0.49 -0.06 -0.23 0.00 0.00 178.00 178.69 1rnr s PHE 325 N -2.91 2.89 0.19 1.56 0.08 -1.26 -5.06 117.98 113.46 1rnr s PHE 325 Ca 0.03 -0.28 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 1rnr s PHE 325 Cb 0.08 -1.66 -0.08 0.00 -0.57 0.00 0.00 43.02 40.79 1rnr s PHE 325 CO 0.76 0.30 1.23 1.21 -0.10 0.00 0.00 175.22 178.63 1rnr s ASN 326 N -3.92 7.02 0.31 1.36 2.47 -1.26 -4.94 114.94 115.97 1rnr s ASN 326 Ca 0.38 2.28 -0.29 0.00 0.42 0.00 0.00 52.86 55.66 1rnr s ASN 326 Cb -0.05 -2.61 -0.10 0.00 -1.45 0.00 0.00 41.25 37.03 1rnr s ASN 326 CO 0.25 -0.42 1.41 0.28 -3.72 0.00 0.00 177.10 174.90 1rnr s THR 327 N 0.01 2.52 0.17 -5.21 -1.32 -1.26 -4.88 115.64 105.67 1rnr s THR 327 Ca 0.54 0.48 -0.15 0.00 -1.21 0.00 0.00 61.69 61.35 1rnr s THR 327 Cb -0.34 -3.30 0.02 0.00 -1.51 0.00 0.00 72.50 67.37 1rnr s THR 327 CO 0.37 0.10 0.43 0.00 -2.21 0.00 0.00 174.62 173.31 1rnr s ARG 328 N -1.21 1.25 0.68 7.08 1.70 -1.26 -5.16 118.95 122.03 1rnr s ARG 328 Ca 0.55 -0.91 -0.11 0.00 -0.47 0.00 0.00 55.73 54.79 1rnr s ARG 328 Cb -0.42 0.47 -0.00 0.00 -0.57 0.00 0.00 34.95 34.43 1rnr s ARG 328 CO 0.51 -0.51 1.07 -1.12 -1.08 0.00 0.00 175.30 174.17 1rnr s SER 329 N -2.88 5.66 -0.14 -2.89 0.01 -1.26 -4.96 113.70 107.23 1rnr s SER 329 Ca 0.10 1.20 -0.32 0.00 1.31 0.00 0.00 55.95 58.23 1rnr s SER 329 Cb 0.01 -2.07 -0.09 0.00 0.21 0.00 0.00 66.02 64.08 1rnr s SER 329 CO -0.04 -1.21 2.04 -3.20 0.41 0.00 0.00 173.24 171.25 1rnr n ASN 330 N -2.93 3.32 0.24 2.44 2.85 -1.26 -4.87 115.26 115.06 1rnr n ASN 330 Ca 0.07 0.66 0.17 0.00 -0.11 0.00 0.00 54.58 55.36 1rnr n ASN 330 Cb 0.56 -1.43 0.73 0.00 1.24 0.00 0.00 39.78 40.88 1rnr n ASN 330 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1rnr h PRO 331 N 11.58 0.00 -2.08 1.20 0.13 -1.93 -3.31 132.00 137.60 1rnr h PRO 331 Ca -0.43 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 1rnr h PRO 331 Cb 1.27 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 1rnr h PRO 331 CO 0.96 0.00 -0.99 0.44 -0.23 0.00 0.00 178.00 178.18 1rnr n ILE 332 N -2.81 0.58 0.15 -3.56 -5.35 -1.26 -4.99 119.36 102.11 1rnr n ILE 332 Ca 0.00 -4.68 0.19 0.00 -0.27 0.00 0.00 62.75 57.99 1rnr n ILE 332 Cb 0.22 -1.22 0.71 0.00 -1.74 0.00 0.00 39.64 37.61 1rnr n ILE 332 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1rnr h PRO 333 N 3.45 0.00 0.00 6.28 0.11 -1.99 -1.48 132.00 138.38 1rnr h PRO 333 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1rnr h PRO 333 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1rnr h PRO 333 CO 0.59 0.00 0.09 0.11 -0.21 0.00 0.00 178.00 178.58 1rnr h TRP 334 N 0.00 0.00 0.00 0.65 5.08 -1.94 -2.21 115.95 117.53 1rnr h TRP 334 Ca 0.15 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.09 1rnr h TRP 334 Cb 1.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1rnr h TRP 334 CO 0.00 0.00 -0.16 0.97 -1.28 0.00 0.00 178.44 177.97 1rnr h ILE 335 N 0.00 0.58 -0.02 0.12 6.09 -1.69 -3.19 117.51 119.41 1rnr h ILE 335 Ca 0.00 -0.74 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 1rnr h ILE 335 Cb 0.18 1.49 -0.00 0.00 0.47 0.00 0.00 36.82 38.96 1rnr h ILE 335 CO 0.00 0.16 0.01 0.78 -3.07 0.00 0.00 178.15 176.03 1rnr h ASN 336 N 0.00 0.02 -1.04 2.19 2.35 -1.64 -1.92 115.58 115.54 1rnr h ASN 336 Ca -0.00 -0.01 0.27 0.00 -0.55 0.00 0.00 56.30 56.00 1rnr h ASN 336 Cb 0.47 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.75 1rnr h ASN 336 CO 0.02 0.02 0.67 0.74 -1.65 0.00 0.00 177.43 177.24 1rnr h THR 337 N 0.02 0.53 0.00 2.81 2.02 -1.76 0.41 112.91 116.94 1rnr h THR 337 Ca 0.01 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1rnr h THR 337 Cb 0.01 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1rnr h THR 337 CO -0.00 0.07 -0.81 -0.50 0.37 0.00 0.00 175.52 174.65 1rnr h TRP 338 N 0.37 0.00 0.00 3.16 4.06 -1.55 -3.35 115.95 118.64 1rnr h TRP 338 Ca 0.58 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 61.27 1rnr h TRP 338 Cb 1.52 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.63 1rnr h TRP 338 CO -0.00 0.13 -1.88 1.28 -3.56 0.00 0.00 178.44 174.41 1rnr n LEU 339 N -2.84 0.53 0.00 -4.49 4.32 0.12 -4.84 117.00 109.79 1rnr n LEU 339 Ca -0.00 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1rnr n LEU 339 Cb 0.60 0.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.64 1rnr n LEU 339 CO 0.39 0.34 0.00 0.52 -1.22 0.00 0.00 177.39 177.42