#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlr n GLU 2 N 0.00 0.62 -4.00 1.43 0.28 -1.26 -4.80 120.64 112.90 1wlr n GLU 2 Ca 0.00 -2.39 -0.35 0.00 -0.16 0.00 0.00 57.16 54.26 1wlr n GLU 2 Cb 0.00 2.32 -0.11 0.00 1.43 0.00 0.00 31.44 35.08 1wlr n GLU 2 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1wlr s ILE 3 N -2.74 4.51 0.43 3.84 -1.09 -1.26 -4.89 121.20 119.99 1wlr s ILE 3 Ca 0.25 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 1wlr s ILE 3 Cb -0.01 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.82 1wlr s ILE 3 CO 0.18 0.43 0.62 -0.94 -1.23 0.00 0.00 174.94 174.00 1wlr s SER 4 N 0.75 5.80 0.29 3.58 1.04 -1.26 -4.95 113.70 118.94 1wlr s SER 4 Ca 0.03 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.57 1wlr s SER 4 Cb -0.14 -1.34 0.72 0.00 0.10 0.00 0.00 66.02 65.36 1wlr s SER 4 CO 0.02 -0.68 1.64 -0.09 0.98 0.00 0.00 173.24 175.12 1wlr h ARG 5 N 0.51 0.19 -0.38 4.02 2.43 -1.92 -0.14 114.38 119.09 1wlr h ARG 5 Ca -0.45 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1wlr h ARG 5 Cb 1.26 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1wlr h ARG 5 CO 0.55 0.13 0.07 1.96 -1.51 0.00 0.00 179.97 181.16 1wlr h GLN 6 N 0.20 0.57 -0.08 0.20 7.50 -1.94 -1.39 115.11 120.17 1wlr h GLN 6 Ca 0.56 -0.10 -0.23 0.00 0.50 0.00 0.00 58.65 59.37 1wlr h GLN 6 Cb 1.12 -0.09 0.01 0.00 0.05 0.00 0.00 27.48 28.58 1wlr h GLN 6 CO -0.66 0.55 -0.84 1.49 -1.50 0.00 0.00 178.83 177.87 1wlr h GLU 7 N 0.56 0.71 -0.78 1.46 4.81 -1.43 -1.44 114.58 118.47 1wlr h GLU 7 Ca 0.13 -0.66 0.08 0.00 -0.13 0.00 0.00 59.36 58.78 1wlr h GLU 7 Cb 0.26 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 1wlr h GLU 7 CO 0.00 1.26 0.45 0.74 -0.73 0.00 0.00 179.01 180.73 1wlr h PHE 8 N 0.41 0.82 -0.68 0.92 0.04 -1.11 -1.11 116.94 116.23 1wlr h PHE 8 Ca -0.08 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1wlr h PHE 8 Cb 1.49 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.35 1wlr h PHE 8 CO 0.10 0.37 0.39 0.37 -0.60 0.00 0.00 178.31 178.94 1wlr h GLN 9 N 0.79 0.94 -0.96 1.51 5.75 -1.20 -1.20 115.11 120.74 1wlr h GLN 9 Ca 0.36 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 1wlr h GLN 9 Cb 0.28 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 1wlr h GLN 9 CO -0.22 0.69 0.64 0.00 -2.65 0.00 0.00 178.83 177.29 1wlr h ARG 10 N 0.94 1.25 -0.24 1.69 3.08 -0.62 -0.41 114.38 120.06 1wlr h ARG 10 Ca 0.24 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1wlr h ARG 10 Cb 0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 1wlr h ARG 10 CO -0.04 0.83 0.02 0.00 -1.07 0.00 0.00 179.97 179.70 1wlr h ARG 11 N 1.29 0.41 -0.73 0.04 3.08 -0.83 -0.08 114.38 117.55 1wlr h ARG 11 Ca 0.36 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.37 1wlr h ARG 11 Cb -0.12 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 1wlr h ARG 11 CO -0.09 0.56 0.40 0.00 -1.07 0.00 0.00 179.97 179.77 1wlr h ARG 12 N 0.20 0.68 -0.24 0.04 3.08 -0.95 -1.82 114.38 115.36 1wlr h ARG 12 Ca 0.07 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1wlr h ARG 12 Cb 0.37 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1wlr h ARG 12 CO 0.01 0.45 -0.39 1.96 -1.07 0.00 0.00 179.97 180.93 1wlr h GLN 13 N 0.70 0.56 -0.55 0.04 1.08 -0.86 -1.33 115.11 114.75 1wlr h GLN 13 Ca 0.34 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1wlr h GLN 13 Cb 0.28 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1wlr h GLN 13 CO -0.22 0.86 0.12 0.00 -0.95 0.00 0.00 178.83 178.63 1wlr h ALA 14 N 1.11 1.17 -0.12 3.87 0.00 -0.63 -0.39 119.26 124.27 1wlr h ALA 14 Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wlr h ALA 14 Cb 0.88 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wlr h ALA 14 CO 0.08 0.56 0.01 1.25 0.00 0.00 0.00 179.25 181.15 1wlr h LEU 15 N 0.82 0.20 -0.66 0.00 5.85 -1.07 -2.91 115.31 117.54 1wlr h LEU 15 Ca 0.18 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1wlr h LEU 15 Cb 0.32 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1wlr h LEU 15 CO 0.00 0.42 0.32 0.58 -0.34 0.00 0.00 178.44 179.43 1wlr h VAL 16 N -0.04 0.88 -0.82 1.05 2.07 -1.03 -0.69 116.25 117.67 1wlr h VAL 16 Ca 0.04 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1wlr h VAL 16 Cb 0.31 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 1wlr h VAL 16 CO 0.00 0.11 0.53 -0.08 0.02 0.00 0.00 177.57 178.15 1wlr h GLU 17 N 0.58 0.77 0.00 1.57 4.22 -1.03 -0.49 114.58 120.20 1wlr h GLU 17 Ca 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.71 1wlr h GLU 17 Cb 0.29 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1wlr h GLU 17 CO -0.24 0.51 0.00 1.04 -2.18 0.00 0.00 179.01 178.14 1wlr n GLN 18 N -4.51 0.23 -2.91 1.92 1.13 -0.32 -4.90 117.38 108.02 1wlr n GLN 18 Ca 0.14 0.29 -0.33 0.00 -1.94 0.00 0.00 57.00 55.15 1wlr n GLN 18 Cb 0.30 -1.82 -0.07 0.00 0.11 0.00 0.00 30.24 28.76 1wlr n GLN 18 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1wlr s MET 19 N -3.18 4.19 0.52 -1.09 -1.94 -0.19 -5.05 119.30 112.56 1wlr s MET 19 Ca 0.08 1.01 -0.21 0.00 -1.71 0.00 0.00 55.69 54.86 1wlr s MET 19 Cb 0.11 -2.30 -0.06 0.00 2.01 0.00 0.00 34.83 34.60 1wlr s MET 19 CO 0.51 0.05 1.20 -0.65 -0.01 0.00 0.00 175.02 176.12 1wlr s GLN 20 N -3.03 3.40 0.57 2.03 -0.21 -1.26 -4.99 119.66 116.17 1wlr s GLN 20 Ca 0.59 1.82 -0.20 0.00 0.02 0.00 0.00 55.36 57.58 1wlr s GLN 20 Cb -0.10 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1wlr s GLN 20 CO 0.15 -0.86 1.28 -1.25 -2.12 0.00 0.00 175.29 172.49 1wlr s PRO 21 N -3.00 3.05 -0.51 2.91 0.04 -1.26 -3.60 135.00 132.63 1wlr s PRO 21 Ca 0.70 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.76 1wlr s PRO 21 Cb -0.30 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1wlr s PRO 21 CO 0.35 -1.20 0.43 0.41 0.04 0.00 0.00 177.00 177.03 1wlr n GLY 22 N 0.67 0.05 3.27 0.56 0.00 0.45 -4.83 105.19 105.36 1wlr n GLY 22 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1wlr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wlr s SER 23 N -3.45 -0.09 -0.01 1.61 1.04 -0.60 -0.60 113.70 111.60 1wlr s SER 23 Ca 0.08 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1wlr s SER 23 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1wlr s SER 23 CO 0.33 -0.78 -0.03 0.00 0.98 0.00 0.00 173.24 173.73 1wlr s ALA 24 N -3.72 0.34 -0.14 5.32 0.00 -0.71 -0.44 121.76 122.41 1wlr s ALA 24 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1wlr s ALA 24 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1wlr s ALA 24 CO -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 175.76 175.70 1wlr s ALA 25 N 0.13 3.16 -0.16 0.00 0.00 0.08 -0.24 121.76 124.72 1wlr s ALA 25 Ca -0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1wlr s ALA 25 Cb -0.04 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 1wlr s ALA 25 CO -0.00 0.31 -0.13 -0.51 0.00 0.00 0.00 175.76 175.43 1wlr s LEU 26 N 0.01 2.59 -0.11 0.00 1.43 -0.24 -0.67 118.68 121.68 1wlr s LEU 26 Ca 0.02 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1wlr s LEU 26 Cb -0.13 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1wlr s LEU 26 CO 0.02 0.09 -0.08 -0.63 0.23 0.00 0.00 176.35 175.98 1wlr s ILE 27 N 0.82 1.02 -0.06 -0.59 1.01 -0.23 -4.58 121.20 118.59 1wlr s ILE 27 Ca -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1wlr s ILE 27 Cb -0.15 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 1wlr s ILE 27 CO 0.00 0.37 0.11 -0.36 0.00 0.00 0.00 174.94 175.05 1wlr s PHE 28 N 1.70 3.41 0.71 3.97 0.40 -1.26 -0.51 117.98 126.39 1wlr s PHE 28 Ca 0.05 0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 56.58 1wlr s PHE 28 Cb -0.13 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1wlr s PHE 28 CO -0.08 0.62 1.12 0.00 0.70 0.00 0.00 175.22 177.58 1wlr s ALA 29 N -1.11 2.33 0.40 5.36 0.00 -0.24 -4.63 121.76 123.87 1wlr s ALA 29 Ca 0.19 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 1wlr s ALA 29 Cb -0.12 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1wlr s ALA 29 CO 0.10 -1.54 1.28 0.00 0.00 0.00 0.00 175.76 175.60 1wlr s ALA 30 N -2.43 3.25 0.60 0.00 0.00 -1.26 -4.87 121.76 117.05 1wlr s ALA 30 Ca 0.67 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1wlr s ALA 30 Cb -0.21 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1wlr s ALA 30 CO 0.46 -0.78 1.14 -1.25 0.00 0.00 0.00 175.76 175.33 1wlr s PRO 31 N -2.24 3.02 0.63 0.00 0.04 -1.26 -4.54 135.00 130.65 1wlr s PRO 31 Ca 0.57 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1wlr s PRO 31 Cb -0.37 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 1wlr s PRO 31 CO 0.48 -1.11 1.14 -1.21 0.04 0.00 0.00 177.00 176.34 1wlr s GLU 32 N -3.60 2.86 -0.07 4.56 2.02 -1.26 -4.89 118.70 118.33 1wlr s GLU 32 Ca 0.72 1.56 0.00 0.00 0.02 0.00 0.00 54.97 57.27 1wlr s GLU 32 Cb -0.24 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.07 1wlr s GLU 32 CO 0.34 -1.23 -0.05 0.08 0.02 0.00 0.00 175.26 174.42 1wlr s VAL 33 N -2.04 0.68 0.21 2.63 1.01 -1.26 -5.09 120.40 116.55 1wlr s VAL 33 Ca 0.71 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 1wlr s VAL 33 Cb -0.24 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 1wlr s VAL 33 CO 0.37 0.29 1.36 -0.89 0.00 0.00 0.00 175.10 176.23 1wlr s THR 34 N 1.39 3.00 -0.21 3.92 2.01 -1.26 -1.03 115.64 123.46 1wlr s THR 34 Ca -0.03 0.83 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 1wlr s THR 34 Cb -0.13 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.74 1wlr s THR 34 CO -0.03 0.12 -0.14 -1.14 -0.69 0.00 0.00 174.62 172.74 1wlr n ARG 35 N 2.61 0.54 -3.65 4.92 0.63 0.31 -4.64 116.66 117.38 1wlr n ARG 35 Ca 0.07 0.41 -0.08 0.00 -0.92 0.00 0.00 57.85 57.33 1wlr n ARG 35 Cb 0.42 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 31.65 1wlr n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wlr s SER 36 N -6.63 -0.84 1.37 6.15 0.15 -1.00 -5.03 113.70 107.87 1wlr s SER 36 Ca -0.29 1.36 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1wlr s SER 36 Cb 0.07 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1wlr s SER 36 CO 0.45 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.66 1wlr n ALA 37 N 4.31 0.00 1.34 5.45 0.00 -1.26 -0.37 120.51 129.98 1wlr n ALA 37 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.36 1wlr n ALA 37 Cb 0.58 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.47 1wlr n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wlr n ASP 38 N 6.61 1.75 -4.85 0.00 5.75 -1.26 -4.89 116.55 119.66 1wlr n ASP 38 Ca 0.00 -1.62 -0.36 0.00 -0.01 0.00 0.00 54.79 52.81 1wlr n ASP 38 Cb 0.00 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 1wlr n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1wlr s SER 39 N -1.88 6.80 0.20 -1.12 1.04 0.50 -5.01 113.70 114.23 1wlr s SER 39 Ca 0.36 1.01 0.10 0.00 0.48 0.00 0.00 55.95 57.90 1wlr s SER 39 Cb 0.20 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1wlr s SER 39 CO 0.31 0.16 -0.15 -1.61 0.98 0.00 0.00 173.24 172.93 1wlr s GLU 40 N -1.78 1.85 0.66 4.02 8.01 -1.26 -0.53 118.70 129.66 1wlr s GLU 40 Ca 0.34 -1.43 -0.15 0.00 0.01 0.00 0.00 54.97 53.75 1wlr s GLU 40 Cb -0.15 -2.01 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 1wlr s GLU 40 CO 0.18 0.41 1.11 0.71 0.01 0.00 0.00 175.26 177.68 1wlr s TYR 41 N -1.83 2.59 0.30 1.61 2.02 -0.19 -4.65 117.35 117.20 1wlr s TYR 41 Ca 0.24 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 58.20 1wlr s TYR 41 Cb -0.08 -3.18 -0.12 0.00 -0.40 0.00 0.00 41.96 38.18 1wlr s TYR 41 CO 0.14 -1.73 1.55 -0.35 -1.57 0.00 0.00 175.55 173.59 1wlr n PRO 42 N -2.43 2.61 -1.99 -1.71 -0.04 -1.26 -4.74 135.00 125.43 1wlr n PRO 42 Ca 0.10 0.92 -0.41 0.00 -0.04 0.00 0.00 63.50 64.08 1wlr n PRO 42 Cb 0.52 -2.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.28 1wlr n PRO 42 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1wlr s TYR 43 N -0.18 2.99 -0.19 0.54 5.04 -1.26 -5.01 117.35 119.28 1wlr s TYR 43 Ca 0.63 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 56.31 1wlr s TYR 43 Cb -0.51 -3.84 0.04 0.00 0.35 0.00 0.00 41.96 38.00 1wlr s TYR 43 CO 0.51 -2.69 -0.11 0.50 -1.34 0.00 0.00 175.55 172.42 1wlr s ARG 44 N -0.53 2.11 0.49 4.97 6.06 -1.26 -5.12 118.95 125.67 1wlr s ARG 44 Ca 0.59 -0.83 -0.23 0.00 -2.50 0.00 0.00 55.73 52.76 1wlr s ARG 44 Cb -0.42 -2.40 -0.06 0.00 0.06 0.00 0.00 34.95 32.12 1wlr s ARG 44 CO 0.45 -0.40 1.25 -1.14 -2.50 0.00 0.00 175.30 172.95 1wlr s GLN 45 N 1.39 3.54 0.25 5.12 2.00 -1.26 -4.72 119.66 125.98 1wlr s GLN 45 Ca -0.01 1.97 -0.31 0.00 -2.00 0.00 0.00 55.36 55.02 1wlr s GLN 45 Cb -0.16 -2.37 -0.13 0.00 0.80 0.00 0.00 33.01 31.15 1wlr s GLN 45 CO -0.09 -0.79 1.42 -1.71 -0.50 0.00 0.00 175.29 173.63 1wlr n ASN 46 N -0.65 2.87 -0.18 6.67 2.85 -1.26 -4.87 115.26 120.69 1wlr n ASN 46 Ca 0.08 1.15 -0.07 0.00 -0.11 0.00 0.00 54.58 55.62 1wlr n ASN 46 Cb 0.47 -1.45 0.02 0.00 1.24 0.00 0.00 39.78 40.06 1wlr n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wlr h SER 47 N 4.20 0.67 -0.33 1.20 0.02 -1.93 0.19 113.55 117.58 1wlr h SER 47 Ca -0.45 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.25 1wlr h SER 47 Cb 1.27 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 1wlr h SER 47 CO 0.76 0.58 -0.36 0.44 -1.14 0.00 0.00 176.83 177.10 1wlr h ASP 48 N 0.70 0.88 -0.40 3.07 3.32 -1.95 0.94 116.42 122.98 1wlr h ASP 48 Ca 0.18 -0.48 0.02 0.00 0.02 0.00 0.00 57.03 56.78 1wlr h ASP 48 Cb 0.07 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1wlr h ASP 48 CO -0.03 1.18 0.21 0.15 -1.72 0.00 0.00 179.24 179.04 1wlr h PHE 49 N 0.60 0.40 -0.28 4.55 3.57 -1.77 -2.77 116.94 121.23 1wlr h PHE 49 Ca 0.05 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1wlr h PHE 49 Cb 0.95 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1wlr h PHE 49 CO 0.07 0.22 0.11 2.35 -2.23 0.00 0.00 178.31 178.83 1wlr h TRP 50 N 0.44 0.21 -0.90 0.41 2.91 -0.49 -2.53 115.95 115.99 1wlr h TRP 50 Ca 0.17 0.01 0.22 0.00 1.13 0.00 0.00 58.89 60.42 1wlr h TRP 50 Cb 0.05 -0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 1wlr h TRP 50 CO -0.09 0.10 0.61 -0.92 -1.03 0.00 0.00 178.44 177.11 1wlr h TYR 51 N 0.25 0.45 -0.04 2.65 3.20 -0.55 0.18 116.97 123.11 1wlr h TYR 51 Ca 0.12 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1wlr h TYR 51 Cb 0.07 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1wlr h TYR 51 CO -0.12 0.11 0.00 1.19 -1.64 0.00 0.00 178.16 177.70 1wlr n PHE 52 N -4.47 0.01 0.00 -3.82 3.72 -1.04 -4.77 117.46 107.09 1wlr n PHE 52 Ca 0.19 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1wlr n PHE 52 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1wlr n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wlr n THR 53 N 1.21 0.00 -2.21 4.37 -2.24 -0.55 -4.73 114.28 110.14 1wlr n THR 53 Ca 0.15 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.74 1wlr n THR 53 Cb 0.57 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1wlr n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wlr n GLY 54 N 1.41 -0.00 3.29 3.38 0.00 -0.06 -4.96 105.19 108.24 1wlr n GLY 54 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1wlr n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wlr s PHE 55 N -2.90 2.87 -0.37 1.61 5.36 -1.26 -5.02 117.98 118.26 1wlr s PHE 55 Ca 0.00 -0.99 0.06 0.00 -0.96 0.00 0.00 56.93 55.04 1wlr s PHE 55 Cb 0.00 -1.98 0.61 0.00 -0.34 0.00 0.00 43.02 41.31 1wlr s PHE 55 CO 0.00 -0.49 1.72 -1.71 -1.46 0.00 0.00 175.22 173.28 1wlr n ASN 56 N 4.34 3.29 -4.77 6.13 5.15 -1.26 -4.77 115.26 123.36 1wlr n ASN 56 Ca -0.19 -3.65 -0.31 0.00 -0.60 0.00 0.00 54.58 49.83 1wlr n ASN 56 Cb 0.51 -0.75 -0.07 0.00 -0.53 0.00 0.00 39.78 38.95 1wlr n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wlr s GLU 57 N -3.26 2.93 1.07 1.20 2.02 -1.26 -4.91 118.70 116.49 1wlr s GLU 57 Ca 0.52 -0.62 -0.18 0.00 0.02 0.00 0.00 54.97 54.71 1wlr s GLU 57 Cb 0.45 -2.76 0.24 0.00 0.10 0.00 0.00 34.13 32.16 1wlr s GLU 57 CO 0.06 0.59 1.25 -1.25 0.02 0.00 0.00 175.26 175.94 1wlr s PRO 58 N -2.14 -0.20 -1.09 0.39 0.04 -1.26 -4.54 135.00 126.19 1wlr s PRO 58 Ca 0.27 -0.33 -0.18 0.00 0.04 0.00 0.00 61.00 60.80 1wlr s PRO 58 Cb -0.12 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1wlr s PRO 58 CO 0.19 -2.99 0.80 0.39 0.04 0.00 0.00 177.00 175.43 1wlr n GLU 59 N -4.19 -1.33 -3.74 4.56 1.02 -1.26 -4.63 120.64 111.07 1wlr n GLU 59 Ca 0.15 0.57 -0.13 0.00 -0.02 0.00 0.00 57.16 57.72 1wlr n GLU 59 Cb 0.59 -4.30 -0.09 0.00 -0.02 0.00 0.00 31.44 27.63 1wlr n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlr s ALA 60 N -3.41 -0.87 -0.06 0.62 0.00 -1.26 -3.27 121.76 113.50 1wlr s ALA 60 Ca 0.43 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 1wlr s ALA 60 Cb -0.14 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1wlr s ALA 60 CO 0.84 -0.24 0.13 0.08 0.00 0.00 0.00 175.76 176.58 1wlr s VAL 61 N -0.82 -0.07 -0.18 0.00 1.01 -0.15 -1.08 120.40 119.11 1wlr s VAL 61 Ca -0.09 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1wlr s VAL 61 Cb -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1wlr s VAL 61 CO 0.03 0.08 0.34 -0.22 0.00 0.00 0.00 175.10 175.33 1wlr s LEU 62 N 1.25 4.19 -0.22 3.92 2.96 0.33 -0.62 118.68 130.49 1wlr s LEU 62 Ca -0.08 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1wlr s LEU 62 Cb -0.12 -2.43 0.03 0.00 0.50 0.00 0.00 46.19 44.17 1wlr s LEU 62 CO -0.06 0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.16 1wlr s VAL 63 N 0.91 2.34 -0.30 1.68 1.01 0.51 -1.07 120.40 125.49 1wlr s VAL 63 Ca 0.17 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1wlr s VAL 63 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1wlr s VAL 63 CO 0.06 0.29 0.16 -0.76 0.00 0.00 0.00 175.10 174.85 1wlr s LEU 64 N 1.25 4.06 -0.24 3.92 1.43 0.15 -0.88 118.68 128.37 1wlr s LEU 64 Ca -0.00 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1wlr s LEU 64 Cb -0.16 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1wlr s LEU 64 CO -0.08 -0.14 0.02 -0.63 0.23 0.00 0.00 176.35 175.75 1wlr s ILE 65 N 1.67 3.90 -0.60 -0.59 1.01 0.60 -0.74 121.20 126.45 1wlr s ILE 65 Ca 0.06 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 1wlr s ILE 65 Cb -0.17 -2.81 0.15 0.00 0.01 0.00 0.00 42.46 39.65 1wlr s ILE 65 CO 0.08 0.37 0.48 -0.75 0.00 0.00 0.00 174.94 175.12 1wlr s LYS 66 N 1.55 2.80 0.20 2.79 2.20 0.41 -0.86 119.74 128.85 1wlr s LYS 66 Ca 0.06 -2.10 -0.06 0.00 -0.36 0.00 0.00 55.97 53.51 1wlr s LYS 66 Cb -0.15 -4.03 0.14 0.00 -1.51 0.00 0.00 37.83 32.28 1wlr s LYS 66 CO 0.01 -1.22 1.63 0.77 -0.36 0.00 0.00 175.35 176.17 1wlr h SER 67 N 8.01 0.90 -0.59 1.43 0.02 -1.25 0.16 113.55 122.23 1wlr h SER 67 Ca -0.10 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1wlr h SER 67 Cb 1.04 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1wlr h SER 67 CO 0.82 1.04 0.00 -0.90 -1.14 0.00 0.00 176.83 176.65 1wlr n ASP 68 N -4.14 0.00 0.18 3.07 5.68 -1.07 -2.71 116.55 117.56 1wlr n ASP 68 Ca 0.01 -0.77 0.14 0.00 -0.50 0.00 0.00 54.79 53.67 1wlr n ASP 68 Cb 0.40 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 40.98 1wlr n ASP 68 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1wlr h ASP 69 N 0.00 0.00 0.00 -1.12 3.32 -1.95 -3.25 116.42 113.42 1wlr h ASP 69 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1wlr h ASP 69 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1wlr h ASP 69 CO 0.00 0.00 -1.32 0.35 -1.72 0.00 0.00 179.24 176.55 1wlr n THR 70 N -2.50 0.32 -3.70 0.35 -2.24 -1.26 -5.02 114.28 100.23 1wlr n THR 70 Ca 0.01 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 1wlr n THR 70 Cb 0.21 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.47 1wlr n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wlr s HIS 71 N -2.11 3.28 0.08 4.78 3.76 -1.23 -5.07 115.29 118.78 1wlr s HIS 71 Ca -0.02 0.15 -0.12 0.00 -0.15 0.00 0.00 55.06 54.91 1wlr s HIS 71 Cb 0.01 -2.26 0.02 0.00 1.11 0.00 0.00 32.58 31.46 1wlr s HIS 71 CO 0.19 0.02 0.29 0.54 -0.85 0.00 0.00 174.74 174.93 1wlr s ASN 72 N 1.10 -0.06 0.20 1.40 2.20 -1.26 -0.89 114.94 117.62 1wlr s ASN 72 Ca 0.07 -0.40 -0.22 0.00 -0.94 0.00 0.00 52.86 51.37 1wlr s ASN 72 Cb -0.14 0.38 0.05 0.00 -2.00 0.00 0.00 41.25 39.55 1wlr s ASN 72 CO 0.05 -0.72 0.64 -1.38 -2.94 0.00 0.00 177.10 172.74 1wlr s HIS 73 N -3.39 -0.42 0.04 1.54 -3.43 -0.04 -4.99 115.29 104.60 1wlr s HIS 73 Ca 0.01 0.13 0.08 0.00 -0.80 0.00 0.00 55.06 54.48 1wlr s HIS 73 Cb 0.02 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1wlr s HIS 73 CO -0.09 -0.98 -0.24 -1.54 -2.00 0.00 0.00 174.74 169.90 1wlr s SER 74 N -2.81 3.38 -0.09 7.38 1.04 -1.26 -0.29 113.70 121.06 1wlr s SER 74 Ca 0.04 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1wlr s SER 74 Cb -0.03 -0.40 0.02 0.00 0.10 0.00 0.00 66.02 65.71 1wlr s SER 74 CO -0.06 0.26 -0.11 -0.69 0.98 0.00 0.00 173.24 173.61 1wlr s VAL 75 N -0.83 1.16 -0.21 5.02 1.01 -0.06 -1.85 120.40 124.64 1wlr s VAL 75 Ca 0.13 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1wlr s VAL 75 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1wlr s VAL 75 CO 0.03 0.37 0.10 -0.22 0.00 0.00 0.00 175.10 175.38 1wlr s LEU 76 N 0.99 3.96 -0.13 3.92 2.96 0.23 -0.36 118.68 130.25 1wlr s LEU 76 Ca -0.08 0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 1wlr s LEU 76 Cb -0.15 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1wlr s LEU 76 CO -0.00 0.13 0.36 -0.36 -1.32 0.00 0.00 176.35 175.15 1wlr s PHE 77 N 0.65 3.50 0.24 5.38 0.08 0.21 0.33 117.98 128.37 1wlr s PHE 77 Ca 0.06 0.72 -0.19 0.00 0.12 0.00 0.00 56.93 57.64 1wlr s PHE 77 Cb -0.13 -2.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.95 1wlr s PHE 77 CO 0.01 0.26 0.61 0.54 -0.10 0.00 0.00 175.22 176.54 1wlr s ASN 78 N 0.35 -0.25 0.30 1.36 4.22 -0.32 -0.98 114.94 119.61 1wlr s ASN 78 Ca 0.20 -0.59 -0.29 0.00 -2.14 0.00 0.00 52.86 50.04 1wlr s ASN 78 Cb -0.14 0.65 -0.10 0.00 1.28 0.00 0.00 41.25 42.94 1wlr s ASN 78 CO 0.07 -1.19 1.39 -0.13 -2.04 0.00 0.00 177.10 175.19 1wlr s ARG 79 N -3.91 4.29 0.53 3.55 0.52 -1.20 -1.12 118.95 121.60 1wlr s ARG 79 Ca 0.12 2.29 -0.21 0.00 -0.52 0.00 0.00 55.73 57.42 1wlr s ARG 79 Cb -0.03 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 1wlr s ARG 79 CO 0.03 -0.33 1.20 0.54 0.02 0.00 0.00 175.30 176.75 1wlr s VAL 80 N -0.59 2.82 0.36 3.52 0.11 -1.26 -3.55 120.40 121.81 1wlr s VAL 80 Ca 0.54 0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 59.88 1wlr s VAL 80 Cb -0.41 -3.25 -0.12 0.00 -1.53 0.00 0.00 36.38 31.07 1wlr s VAL 80 CO 0.49 -0.07 1.12 0.54 -3.33 0.00 0.00 175.10 173.86 1wlr n ARG 81 N -1.11 1.65 -3.15 1.54 5.12 -1.26 -4.82 116.66 114.63 1wlr n ARG 81 Ca 0.11 0.58 0.04 0.00 -1.93 0.00 0.00 57.85 56.65 1wlr n ARG 81 Cb 0.49 -2.11 -0.00 0.00 -1.16 0.00 0.00 32.46 29.68 1wlr n ARG 81 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1wlr s ASP 82 N -0.53 -1.50 0.19 0.55 -1.08 -1.26 -5.06 116.67 107.98 1wlr s ASP 82 Ca 0.59 0.46 -0.13 0.00 -0.52 0.00 0.00 52.55 52.95 1wlr s ASP 82 Cb -0.60 2.07 0.20 0.00 -1.46 0.00 0.00 42.92 43.13 1wlr s ASP 82 CO 0.60 -0.28 1.69 0.25 0.52 0.00 0.00 175.17 177.95 1wlr h LEU 83 N 7.99 -0.14 -0.20 -1.34 5.85 -1.99 -0.92 115.31 124.55 1wlr h LEU 83 Ca -0.10 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1wlr h LEU 83 Cb 1.18 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1wlr h LEU 83 CO 0.18 -0.04 -0.09 0.74 -0.34 0.00 0.00 178.44 178.90 1wlr h THR 84 N 0.15 1.30 -0.39 1.05 2.02 -1.99 -0.97 112.91 114.09 1wlr h THR 84 Ca 0.25 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1wlr h THR 84 Cb 0.37 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1wlr h THR 84 CO -0.39 0.34 0.12 0.00 0.37 0.00 0.00 175.52 175.97 1wlr h ALA 85 N 0.71 1.49 0.11 6.16 0.00 -1.88 -2.46 119.26 123.39 1wlr h ALA 85 Ca 0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 1wlr h ALA 85 Cb 0.57 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wlr h ALA 85 CO 0.03 0.39 -1.20 0.93 0.00 0.00 0.00 179.25 179.39 1wlr h GLU 86 N 0.56 0.54 -1.00 0.00 5.08 -0.99 0.10 114.58 118.86 1wlr h GLU 86 Ca 0.13 -0.72 0.10 0.00 -1.00 0.00 0.00 59.36 57.87 1wlr h GLU 86 Cb 0.17 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 1wlr h GLU 86 CO -0.01 1.31 0.64 0.82 -1.00 0.00 0.00 179.01 180.77 1wlr h ILE 87 N 0.24 0.99 0.02 3.13 2.04 -1.09 -1.07 117.51 121.76 1wlr h ILE 87 Ca -0.16 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1wlr h ILE 87 Cb 1.88 -0.17 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1wlr h ILE 87 CO 0.22 0.19 -0.26 -0.50 0.00 0.00 0.00 178.15 177.81 1wlr h TRP 88 N 1.06 0.23 0.00 1.37 4.06 -1.35 -3.43 115.95 117.89 1wlr h TRP 88 Ca 0.47 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 61.29 1wlr h TRP 88 Cb 0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1wlr h TRP 88 CO -0.00 1.00 0.00 1.19 -3.56 0.00 0.00 178.44 177.06 1wlr n PHE 89 N -4.49 0.00 0.00 0.49 3.72 0.34 -5.11 117.46 112.42 1wlr n PHE 89 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1wlr n PHE 89 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1wlr n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wlr n GLY 90 N 0.86 3.37 3.76 1.37 0.00 -0.41 -5.00 105.19 109.13 1wlr n GLY 90 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1wlr n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wlr s ARG 91 N -2.83 3.37 0.05 1.61 0.52 -1.26 -4.18 118.95 116.23 1wlr s ARG 91 Ca 0.00 1.95 0.08 0.00 -0.52 0.00 0.00 55.73 57.24 1wlr s ARG 91 Cb 0.00 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 1wlr s ARG 91 CO 0.00 -0.92 -0.22 1.03 0.02 0.00 0.00 175.30 175.22 1wlr s ARG 92 N -2.91 1.92 0.11 3.54 0.52 -1.26 -5.05 118.95 115.81 1wlr s ARG 92 Ca 0.69 -1.06 -0.20 0.00 -0.52 0.00 0.00 55.73 54.65 1wlr s ARG 92 Cb -0.33 -2.09 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 1wlr s ARG 92 CO 0.39 0.52 1.70 1.25 0.02 0.00 0.00 175.30 179.18 1wlr h LEU 93 N 4.57 0.25 0.00 2.53 5.85 -1.95 -3.46 115.31 123.09 1wlr h LEU 93 Ca -0.48 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.21 1wlr h LEU 93 Cb 1.15 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1wlr h LEU 93 CO 0.45 0.26 -0.07 0.61 -0.34 0.00 0.00 178.44 179.36 1wlr n GLY 94 N -0.93 -2.17 0.11 3.75 0.00 -1.23 -4.32 105.19 100.39 1wlr n GLY 94 Ca -0.04 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 1wlr n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wlr h GLN 95 N 0.00 0.20 -0.46 1.61 7.50 -1.91 -3.25 115.11 118.80 1wlr h GLN 95 Ca 0.00 -0.34 -0.09 0.00 0.50 0.00 0.00 58.65 58.72 1wlr h GLN 95 Cb 0.17 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 1wlr h GLN 95 CO 0.00 1.04 -0.07 -0.44 -1.50 0.00 0.00 178.83 177.85 1wlr h ASP 96 N 0.05 0.87 0.95 1.46 3.32 -1.92 -3.23 116.42 117.92 1wlr h ASP 96 Ca -0.24 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1wlr h ASP 96 Cb 2.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.31 1wlr h ASP 96 CO 0.15 1.01 -0.65 0.00 -1.72 0.00 0.00 179.24 178.02 1wlr h ALA 97 N 0.89 0.59 -0.22 3.45 0.00 -1.75 -3.41 119.26 118.82 1wlr h ALA 97 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1wlr h ALA 97 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wlr h ALA 97 CO 0.04 0.00 0.11 0.00 0.00 0.00 0.00 179.25 179.40 1wlr h ALA 98 N 2.40 0.28 -0.47 0.00 0.00 -1.59 -1.69 119.26 118.19 1wlr h ALA 98 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1wlr h ALA 98 Cb 0.80 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1wlr h ALA 98 CO 0.00 -0.17 0.07 -1.35 0.00 0.00 0.00 179.25 177.80 1wlr h PRO 99 N 0.23 0.20 -0.09 0.00 0.11 -1.76 0.57 132.00 131.26 1wlr h PRO 99 Ca 0.08 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1wlr h PRO 99 Cb 0.10 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 1wlr h PRO 99 CO -0.01 0.13 -0.05 1.49 -0.21 0.00 0.00 178.00 179.35 1wlr h GLU 100 N 0.20 0.19 -0.44 1.05 4.22 -1.79 0.11 114.58 118.12 1wlr h GLU 100 Ca 0.23 -0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.55 1wlr h GLU 100 Cb 0.32 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1wlr h GLU 100 CO -0.32 0.56 0.11 -0.22 -2.18 0.00 0.00 179.01 176.95 1wlr h LYS 101 N -0.19 0.70 0.00 1.92 1.63 -1.04 -3.27 116.57 116.32 1wlr h LYS 101 Ca 0.02 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1wlr h LYS 101 Cb 0.51 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1wlr h LYS 101 CO 0.01 0.70 -1.68 1.28 -3.45 0.00 0.00 179.45 176.32 1wlr n LEU 102 N -4.52 0.29 -0.06 5.20 4.77 0.17 -4.94 117.00 117.91 1wlr n LEU 102 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1wlr n LEU 102 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1wlr n LEU 102 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1wlr n GLY 103 N 1.25 0.80 3.90 -0.72 0.00 0.36 -4.81 105.19 105.98 1wlr n GLY 103 Ca -0.04 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 1wlr n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wlr s VAL 104 N -2.11 4.60 0.05 1.61 -7.23 -0.98 -4.96 120.40 111.38 1wlr s VAL 104 Ca 0.00 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 1wlr s VAL 104 Cb 0.00 -3.55 -0.31 0.00 0.56 0.00 0.00 36.38 33.08 1wlr s VAL 104 CO 0.00 -0.30 1.08 0.44 -0.31 0.00 0.00 175.10 176.02 1wlr h ASP 105 N 1.26 0.80 -5.02 4.85 3.32 -1.80 -3.39 116.42 116.44 1wlr h ASP 105 Ca -0.49 -0.79 -0.14 0.00 0.02 0.00 0.00 57.03 55.63 1wlr h ASP 105 Cb 1.24 -0.26 -0.20 0.00 0.22 0.00 0.00 39.33 40.34 1wlr h ASP 105 CO 0.60 1.60 -0.53 -0.13 -1.72 0.00 0.00 179.24 179.05 1wlr s ARG 106 N -2.83 0.50 -0.02 3.56 0.52 -0.77 -4.92 118.95 114.98 1wlr s ARG 106 Ca -0.08 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1wlr s ARG 106 Cb 0.05 0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.72 1wlr s ARG 106 CO 0.93 -0.12 -0.12 0.00 0.02 0.00 0.00 175.30 176.01 1wlr s ALA 107 N -1.85 1.04 0.15 2.13 0.00 -1.26 -0.60 121.76 121.37 1wlr s ALA 107 Ca -0.11 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1wlr s ALA 107 Cb -0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1wlr s ALA 107 CO -0.01 0.22 -0.12 -0.51 0.00 0.00 0.00 175.76 175.33 1wlr s LEU 108 N -0.07 2.50 0.18 0.00 1.43 0.15 -4.90 118.68 117.97 1wlr s LEU 108 Ca 0.01 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 1wlr s LEU 108 Cb -0.07 -0.48 -0.08 0.00 0.03 0.00 0.00 46.19 45.59 1wlr s LEU 108 CO 0.00 -0.24 1.30 0.00 0.23 0.00 0.00 176.35 177.64 1wlr s ALA 109 N -2.88 3.51 0.44 4.21 0.00 -1.26 -1.17 121.76 124.61 1wlr s ALA 109 Ca 0.15 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.29 1wlr s ALA 109 Cb -0.00 -3.48 0.99 0.00 0.00 0.00 0.00 23.12 20.63 1wlr s ALA 109 CO 0.03 -0.52 2.08 0.35 0.00 0.00 0.00 175.76 177.70 1wlr h PHE 110 N 5.57 0.36 0.00 0.00 3.57 -1.41 -0.88 116.94 124.15 1wlr h PHE 110 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1wlr h PHE 110 Cb 1.21 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1wlr h PHE 110 CO 0.63 0.22 0.02 0.66 -2.23 0.00 0.00 178.31 177.61 1wlr h SER 111 N 0.39 0.00 -0.49 0.41 4.64 -1.91 -1.71 113.55 114.87 1wlr h SER 111 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wlr h SER 111 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1wlr h SER 111 CO -0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.31 1wlr n GLU 112 N -2.96 2.52 -0.30 4.77 -0.58 -0.34 -4.65 120.64 119.11 1wlr n GLU 112 Ca -0.03 -2.32 -0.01 0.00 -0.42 0.00 0.00 57.16 54.38 1wlr n GLU 112 Cb 0.08 -1.52 0.16 0.00 -0.57 0.00 0.00 31.44 29.59 1wlr n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1wlr h ILE 113 N 4.24 1.23 0.00 -3.67 2.10 -1.38 -1.21 117.51 118.83 1wlr h ILE 113 Ca 0.00 -0.46 -0.06 0.00 1.08 0.00 0.00 64.86 65.41 1wlr h ILE 113 Cb 0.95 -0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.62 1wlr h ILE 113 CO 0.00 0.23 -0.31 0.78 -1.08 0.00 0.00 178.15 177.78 1wlr h ASN 114 N 1.21 0.00 1.63 2.19 2.35 -1.83 0.19 115.58 121.32 1wlr h ASN 114 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1wlr h ASN 114 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1wlr h ASN 114 CO -0.07 0.31 -0.28 1.56 -1.65 0.00 0.00 177.43 177.31 1wlr h GLN 115 N 0.00 0.00 0.00 0.81 7.50 -1.59 -3.40 115.11 118.42 1wlr h GLN 115 Ca -0.00 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.03 1wlr h GLN 115 Cb 0.82 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.32 1wlr h GLN 115 CO 0.04 0.00 -1.45 1.04 -1.50 0.00 0.00 178.83 176.96 1wlr n GLN 116 N -2.84 1.58 -0.06 1.46 1.13 -0.62 -4.68 117.38 113.35 1wlr n GLN 116 Ca 0.03 0.02 -0.09 0.00 -1.94 0.00 0.00 57.00 55.03 1wlr n GLN 116 Cb 0.52 -1.16 -0.02 0.00 0.11 0.00 0.00 30.24 29.69 1wlr n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1wlr h LEU 117 N 0.00 0.19 -1.76 1.08 5.85 -0.85 -1.47 115.31 118.35 1wlr h LEU 117 Ca -0.18 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1wlr h LEU 117 Cb 1.34 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1wlr h LEU 117 CO -0.01 0.14 0.20 0.10 -0.34 0.00 0.00 178.44 178.54 1wlr h TYR 118 N 0.27 0.31 -0.07 1.25 -0.00 -1.81 -0.52 116.97 116.39 1wlr h TYR 118 Ca 0.10 0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.73 1wlr h TYR 118 Cb 0.03 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 36.64 1wlr h TYR 118 CO -0.09 0.18 -0.46 1.96 -0.00 0.00 0.00 178.16 179.75 1wlr h GLN 119 N 0.32 0.17 0.00 0.10 4.20 -1.56 0.13 115.11 118.47 1wlr h GLN 119 Ca 0.12 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 1wlr h GLN 119 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1wlr h GLN 119 CO -0.03 0.60 -0.65 -0.07 -0.67 0.00 0.00 178.83 178.01 1wlr h LEU 120 N 0.14 0.00 0.00 1.46 3.38 -0.56 -3.29 115.31 116.44 1wlr h LEU 120 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1wlr h LEU 120 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wlr h LEU 120 CO 0.07 0.65 -1.34 0.18 0.09 0.00 0.00 178.44 178.09 1wlr n LEU 121 N -3.68 0.66 -4.63 1.67 4.77 -0.76 -4.86 117.00 110.18 1wlr n LEU 121 Ca -0.01 0.27 -0.57 0.00 -0.03 0.00 0.00 56.01 55.67 1wlr n LEU 121 Cb 0.66 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.69 1wlr n LEU 121 CO 0.42 -0.04 1.01 -3.20 -1.33 0.00 0.00 177.39 174.25 1wlr n ASN 122 N -2.66 1.55 0.00 -1.43 5.15 0.43 -1.18 115.26 117.12 1wlr n ASN 122 Ca -0.04 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1wlr n ASN 122 Cb 0.65 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 1wlr n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wlr n GLY 123 N 3.05 0.90 3.85 8.20 0.00 -0.55 -4.95 105.19 115.69 1wlr n GLY 123 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1wlr n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wlr s LEU 124 N 0.00 3.56 -0.01 0.99 1.43 -0.33 -4.99 118.68 119.34 1wlr s LEU 124 Ca 0.00 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1wlr s LEU 124 Cb 0.00 -4.47 -0.25 0.00 0.03 0.00 0.00 46.19 41.50 1wlr s LEU 124 CO 0.00 -0.63 0.81 0.44 0.23 0.00 0.00 176.35 177.20 1wlr h ASP 125 N 0.69 0.23 -3.80 2.29 3.32 -1.18 -3.11 116.42 114.87 1wlr h ASP 125 Ca -0.46 -0.36 -0.33 0.00 0.02 0.00 0.00 57.03 55.90 1wlr h ASP 125 Cb 1.19 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.36 1wlr h ASP 125 CO 0.62 1.30 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.00 1wlr s VAL 126 N -2.62 0.39 -0.10 -1.35 1.01 -1.07 -2.91 120.40 113.75 1wlr s VAL 126 Ca -0.08 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1wlr s VAL 126 Cb 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 1wlr s VAL 126 CO 0.83 0.13 -0.23 0.54 0.00 0.00 0.00 175.10 176.37 1wlr s VAL 127 N 0.14 2.15 -0.28 2.92 0.11 -0.36 -1.74 120.40 123.33 1wlr s VAL 127 Ca -0.01 -0.99 -0.11 0.00 -2.93 0.00 0.00 61.98 57.94 1wlr s VAL 127 Cb -0.05 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.93 1wlr s VAL 127 CO -0.00 0.56 0.19 -0.31 -3.33 0.00 0.00 175.10 172.20 1wlr s TYR 128 N 0.34 3.22 -0.14 1.54 1.51 0.66 -1.00 117.35 123.48 1wlr s TYR 128 Ca -0.18 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 55.85 1wlr s TYR 128 Cb -0.18 -2.38 0.04 0.00 -0.11 0.00 0.00 41.96 39.33 1wlr s TYR 128 CO 0.09 -0.18 0.35 -1.58 -1.11 0.00 0.00 175.55 173.12 1wlr s HIS 129 N 1.75 -0.43 -0.98 2.71 2.46 -0.45 -1.08 115.29 119.28 1wlr s HIS 129 Ca 0.07 1.00 -0.17 0.00 0.47 0.00 0.00 55.06 56.44 1wlr s HIS 129 Cb -0.16 0.15 0.16 0.00 -0.13 0.00 0.00 32.58 32.60 1wlr s HIS 129 CO 0.11 -0.22 1.13 0.00 -2.47 0.00 0.00 174.74 173.28 1wlr s ALA 130 N 0.55 3.67 0.27 1.58 0.00 -1.26 -3.96 121.76 122.61 1wlr s ALA 130 Ca -0.03 -3.03 -0.29 0.00 0.00 0.00 0.00 51.96 48.61 1wlr s ALA 130 Cb -0.05 -3.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.02 1wlr s ALA 130 CO -0.03 -2.79 1.15 -1.14 0.00 0.00 0.00 175.76 172.95 1wlr s GLN 131 N 1.87 4.57 0.00 0.00 0.74 -1.26 -3.49 119.66 122.09 1wlr s GLN 131 Ca 0.32 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.61 1wlr s GLN 131 Cb -0.05 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.87 1wlr s GLN 131 CO -0.08 0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.16 1wlr n GLY 132 N 1.34 0.78 0.06 2.59 0.00 -1.26 -4.93 105.19 103.76 1wlr n GLY 132 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1wlr n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wlr h GLU 133 N 3.15 0.00 -5.45 1.61 4.57 -2.01 -3.46 114.58 113.00 1wlr h GLU 133 Ca 0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 1wlr h GLU 133 Cb 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 28.75 28.27 1wlr h GLU 133 CO 0.00 0.16 -0.85 0.71 -1.18 0.00 0.00 179.01 177.85 1wlr s TYR 134 N -1.74 2.00 0.22 0.92 2.02 -1.26 -5.03 117.35 114.48 1wlr s TYR 134 Ca -0.05 -0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 1wlr s TYR 134 Cb -0.00 -1.34 0.18 0.00 -0.40 0.00 0.00 41.96 40.41 1wlr s TYR 134 CO 0.13 -0.22 1.83 0.00 -1.57 0.00 0.00 175.55 175.72 1wlr h ALA 135 N 6.31 1.09 -0.33 3.71 0.00 -2.00 -1.89 119.26 126.16 1wlr h ALA 135 Ca -0.31 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1wlr h ALA 135 Cb 1.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1wlr h ALA 135 CO 0.47 0.63 -0.07 0.10 0.00 0.00 0.00 179.25 180.39 1wlr h TYR 136 N 1.20 0.57 -0.17 0.00 -0.00 -2.00 -1.27 116.97 115.31 1wlr h TYR 136 Ca 0.29 -0.08 -0.14 0.00 -0.00 0.00 0.00 58.73 58.81 1wlr h TYR 136 Cb 0.08 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 36.66 1wlr h TYR 136 CO 0.01 0.60 -0.43 0.00 -0.00 0.00 0.00 178.16 178.35 1wlr h ALA 137 N 1.42 0.28 -0.83 0.10 0.00 -1.86 -2.58 119.26 115.79 1wlr h ALA 137 Ca 0.10 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1wlr h ALA 137 Cb 0.43 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1wlr h ALA 137 CO 0.02 0.40 0.53 -0.44 0.00 0.00 0.00 179.25 179.76 1wlr h ASP 138 N 0.25 0.86 -0.58 0.00 3.32 -0.97 -0.84 116.42 118.45 1wlr h ASP 138 Ca -0.01 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1wlr h ASP 138 Cb 1.04 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 1wlr h ASP 138 CO 0.09 0.58 0.38 0.58 -1.72 0.00 0.00 179.24 179.16 1wlr h VAL 139 N 1.01 1.14 -0.30 -1.35 2.07 -1.18 0.88 116.25 118.53 1wlr h VAL 139 Ca 0.34 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1wlr h VAL 139 Cb 0.05 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1wlr h VAL 139 CO -0.13 0.14 0.12 0.40 0.02 0.00 0.00 177.57 178.12 1wlr h ILE 140 N 0.78 1.18 -0.27 4.57 2.04 -1.03 -1.01 117.51 123.77 1wlr h ILE 140 Ca 0.22 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 1wlr h ILE 140 Cb -0.07 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1wlr h ILE 140 CO -0.05 0.19 -0.06 0.58 0.00 0.00 0.00 178.15 178.80 1wlr h VAL 141 N 0.33 1.28 -0.49 1.67 2.07 -0.97 -2.06 116.25 118.07 1wlr h VAL 141 Ca 0.10 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 1wlr h VAL 141 Cb 0.18 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1wlr h VAL 141 CO -0.01 0.34 -0.08 0.78 0.02 0.00 0.00 177.57 178.62 1wlr h ASN 142 N 0.26 0.87 -0.47 0.57 2.35 -0.76 -1.56 115.58 116.84 1wlr h ASN 142 Ca 0.07 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1wlr h ASN 142 Cb 0.53 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1wlr h ASN 142 CO 0.03 0.98 0.28 0.28 -1.65 0.00 0.00 177.43 177.35 1wlr h SER 143 N 0.80 0.56 -0.42 5.81 0.02 -1.16 0.09 113.55 119.25 1wlr h SER 143 Ca 0.14 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1wlr h SER 143 Cb 0.59 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1wlr h SER 143 CO 0.04 0.45 0.26 0.00 -1.14 0.00 0.00 176.83 176.44 1wlr h ALA 144 N 1.13 0.54 -0.49 3.77 0.00 -1.08 -1.48 119.26 121.65 1wlr h ALA 144 Ca 0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1wlr h ALA 144 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1wlr h ALA 144 CO -0.03 0.01 -0.14 -0.07 0.00 0.00 0.00 179.25 179.03 1wlr h LEU 145 N 0.56 0.94 -0.48 0.00 3.38 -1.13 -2.65 115.31 115.93 1wlr h LEU 145 Ca 0.15 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wlr h LEU 145 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1wlr h LEU 145 CO -0.03 1.07 0.28 -0.33 0.09 0.00 0.00 178.44 179.52 1wlr h GLU 146 N 0.83 0.65 -0.58 1.13 4.39 -0.80 0.41 114.58 120.60 1wlr h GLU 146 Ca 0.13 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.88 1wlr h GLU 146 Cb 0.68 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.10 1wlr h GLU 146 CO 0.05 0.48 0.07 0.87 -1.16 0.00 0.00 179.01 179.32 1wlr h LYS 147 N 0.64 0.18 -0.16 2.33 1.57 -1.14 -1.04 116.57 118.94 1wlr h LYS 147 Ca 0.17 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1wlr h LYS 147 Cb 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1wlr h LYS 147 CO -0.03 0.12 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.84 1wlr h LEU 148 N 0.19 0.33 -0.43 2.94 3.38 -1.25 -1.41 115.31 119.06 1wlr h LEU 148 Ca 0.31 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1wlr h LEU 148 Cb 0.47 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1wlr h LEU 148 CO -0.44 0.65 0.15 0.03 0.09 0.00 0.00 178.44 178.92 1wlr h ARG 149 N 0.01 0.31 -0.06 1.13 3.08 -0.75 -2.32 114.38 115.79 1wlr h ARG 149 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wlr h ARG 149 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1wlr h ARG 149 CO 0.02 0.21 0.00 1.63 -1.07 0.00 0.00 179.97 180.76 1wlr n LYS 150 N -5.00 1.26 -0.89 0.04 5.02 -0.41 -4.36 118.16 113.81 1wlr n LYS 150 Ca 0.03 -0.39 -0.08 0.00 -2.02 0.00 0.00 58.31 55.85 1wlr n LYS 150 Cb 0.16 -1.32 0.20 0.00 -0.02 0.00 0.00 35.03 34.04 1wlr n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wlr n GLY 151 N 0.91 4.80 0.23 0.72 0.00 -0.53 -4.70 105.19 106.62 1wlr n GLY 151 Ca 0.15 -1.20 0.04 0.00 0.00 0.00 0.00 46.02 45.00 1wlr n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wlr h SER 152 N 1.03 0.11 0.30 1.61 4.64 -1.73 -0.70 113.55 118.81 1wlr h SER 152 Ca 0.30 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1wlr h SER 152 Cb 1.90 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1wlr h SER 152 CO 0.53 0.30 -0.06 0.03 -0.87 0.00 0.00 176.83 176.76 1wlr h ARG 153 N 0.12 0.00 -0.64 4.77 3.08 -1.90 0.99 114.38 120.80 1wlr h ARG 153 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wlr h ARG 153 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1wlr h ARG 153 CO 0.03 0.06 0.00 1.04 -1.07 0.00 0.00 179.97 180.03 1wlr n GLN 154 N -3.51 3.45 -2.82 0.04 3.00 -0.50 -4.94 117.38 112.11 1wlr n GLN 154 Ca -0.02 -2.55 -0.22 0.00 -0.01 0.00 0.00 57.00 54.20 1wlr n GLN 154 Cb 0.18 -1.84 0.02 0.00 0.00 0.00 0.00 30.24 28.61 1wlr n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1wlr n ASN 155 N 0.99 -6.05 -4.90 1.08 3.02 0.34 -5.00 115.26 104.74 1wlr n ASN 155 Ca 0.23 -0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.25 1wlr n ASN 155 Cb 0.81 -4.94 -0.05 0.00 -0.61 0.00 0.00 39.78 34.99 1wlr n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wlr s LEU 156 N -6.48 4.36 -0.01 3.41 1.43 -0.39 -4.98 118.68 116.02 1wlr s LEU 156 Ca 0.20 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1wlr s LEU 156 Cb -0.09 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1wlr s LEU 156 CO 0.25 0.23 -0.02 0.42 0.23 0.00 0.00 176.35 177.46 1wlr s THR 157 N -1.37 0.22 0.17 5.49 -4.23 -1.26 -3.79 115.64 110.87 1wlr s THR 157 Ca 0.30 -0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.58 1wlr s THR 157 Cb -0.13 -0.23 -0.08 0.00 1.34 0.00 0.00 72.50 73.41 1wlr s THR 157 CO 0.19 0.09 0.64 0.00 -0.54 0.00 0.00 174.62 175.01 1wlr s ALA 158 N 0.32 3.50 0.38 3.99 0.00 -1.26 -1.48 121.76 127.21 1wlr s ALA 158 Ca -0.03 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.68 1wlr s ALA 158 Cb -0.06 -2.68 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 1wlr s ALA 158 CO -0.01 0.39 1.47 -1.25 0.00 0.00 0.00 175.76 176.36 1wlr s PRO 159 N -1.86 4.11 0.05 0.00 0.04 -1.17 -4.90 135.00 131.27 1wlr s PRO 159 Ca 0.39 2.53 0.25 0.00 0.04 0.00 0.00 61.00 64.21 1wlr s PRO 159 Cb -0.16 -2.96 0.49 0.00 0.04 0.00 0.00 34.50 31.90 1wlr s PRO 159 CO 0.20 -0.52 1.41 0.00 0.04 0.00 0.00 177.00 178.13 1wlr n ALA 160 N 0.46 3.21 -3.34 8.56 0.00 -1.19 -4.86 120.51 123.34 1wlr n ALA 160 Ca 0.01 -0.29 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 1wlr n ALA 160 Cb 0.40 -1.16 -0.16 0.00 0.00 0.00 0.00 19.45 18.52 1wlr n ALA 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wlr s THR 161 N -3.07 2.28 -0.12 0.00 2.01 -1.14 -5.09 115.64 110.51 1wlr s THR 161 Ca 0.09 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1wlr s THR 161 Cb 0.16 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.76 1wlr s THR 161 CO 0.70 0.55 -0.18 -0.32 -0.69 0.00 0.00 174.62 174.67 1wlr s MET 162 N 0.52 3.20 -0.06 4.92 1.75 -1.26 -1.23 119.30 127.14 1wlr s MET 162 Ca -0.13 -0.79 0.05 0.00 -1.25 0.00 0.00 55.69 53.58 1wlr s MET 162 Cb -0.17 -2.48 -0.01 0.00 2.84 0.00 0.00 34.83 35.01 1wlr s MET 162 CO 0.05 0.15 -0.23 0.42 -0.65 0.00 0.00 175.02 174.75 1wlr s ILE 163 N 0.46 1.95 -0.21 10.11 1.01 -0.17 -4.98 121.20 129.37 1wlr s ILE 163 Ca -0.13 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 1wlr s ILE 163 Cb -0.17 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1wlr s ILE 163 CO 0.05 0.54 1.43 -0.62 0.00 0.00 0.00 174.94 176.35 1wlr s ASP 164 N -0.03 6.65 0.03 3.58 -1.08 -1.25 -1.34 116.67 123.23 1wlr s ASP 164 Ca -0.07 1.59 0.27 0.00 -0.52 0.00 0.00 52.55 53.82 1wlr s ASP 164 Cb -0.14 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 39.88 1wlr s ASP 164 CO 0.04 -1.04 1.84 -2.67 0.52 0.00 0.00 175.17 173.87 1wlr n TRP 165 N 7.57 0.12 -0.09 -5.34 4.27 -1.26 -4.22 117.44 118.49 1wlr n TRP 165 Ca 0.16 0.04 -0.08 0.00 -3.89 0.00 0.00 57.50 53.73 1wlr n TRP 165 Cb 0.45 -0.56 -0.01 0.00 -1.36 0.00 0.00 31.31 29.83 1wlr n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wlr h ARG 166 N 0.00 0.38 -0.69 -2.67 3.08 -1.90 -0.66 114.38 111.91 1wlr h ARG 166 Ca 0.00 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.17 1wlr h ARG 166 Cb 0.49 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.36 1wlr h ARG 166 CO 0.00 0.25 0.19 -1.35 -1.07 0.00 0.00 179.97 177.98 1wlr h PRO 167 N 0.39 0.30 -0.16 0.04 0.11 -2.00 0.12 132.00 130.80 1wlr h PRO 167 Ca 0.13 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1wlr h PRO 167 Cb -0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1wlr h PRO 167 CO -0.06 0.20 -0.29 0.28 -0.21 0.00 0.00 178.00 177.92 1wlr h VAL 168 N 0.30 1.35 -0.53 3.15 2.07 -1.75 -2.27 116.25 118.58 1wlr h VAL 168 Ca 0.38 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1wlr h VAL 168 Cb 0.60 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1wlr h VAL 168 CO -0.45 0.46 -0.00 0.58 0.02 0.00 0.00 177.57 178.18 1wlr h VAL 169 N 0.11 1.25 -0.02 2.57 2.07 -0.88 -1.83 116.25 119.52 1wlr h VAL 169 Ca 0.01 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 1wlr h VAL 169 Cb 0.88 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1wlr h VAL 169 CO 0.07 0.38 -0.56 0.45 0.02 0.00 0.00 177.57 177.92 1wlr h HIS 170 N 0.83 0.09 -0.57 1.57 3.86 -0.77 -0.28 115.15 119.86 1wlr h HIS 170 Ca 0.16 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1wlr h HIS 170 Cb 0.49 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1wlr h HIS 170 CO 0.03 0.61 -0.04 1.49 0.86 0.00 0.00 177.93 180.88 1wlr h GLU 171 N 0.05 1.03 -0.22 2.45 4.57 -1.19 -1.23 114.58 120.04 1wlr h GLU 171 Ca -0.00 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.84 1wlr h GLU 171 Cb 1.01 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1wlr h GLU 171 CO 0.08 1.03 0.13 0.52 -1.18 0.00 0.00 179.01 179.59 1wlr h MET 172 N 0.93 0.26 0.00 1.92 2.86 -0.83 -2.85 114.93 117.22 1wlr h MET 172 Ca 0.16 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1wlr h MET 172 Cb 0.60 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1wlr h MET 172 CO 0.04 0.17 -0.15 0.00 1.06 0.00 0.00 176.91 178.03 1wlr h ARG 173 N 0.27 0.00 0.00 1.72 3.08 -0.83 -2.54 114.38 116.08 1wlr h ARG 173 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1wlr h ARG 173 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1wlr h ARG 173 CO -0.04 0.15 -0.28 1.25 -1.07 0.00 0.00 179.97 179.98 1wlr h LEU 174 N 0.00 0.00 -8.17 3.04 5.85 -0.98 -3.39 115.31 111.66 1wlr h LEU 174 Ca -0.00 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 58.02 1wlr h LEU 174 Cb 0.39 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.13 1wlr h LEU 174 CO 0.02 0.28 -0.58 -0.36 -0.34 0.00 0.00 178.44 177.46 1wlr s PHE 175 N -4.09 3.28 0.26 1.25 0.40 -0.96 -4.02 117.98 114.11 1wlr s PHE 175 Ca -0.02 -1.48 -0.29 0.00 -0.60 0.00 0.00 56.93 54.53 1wlr s PHE 175 Cb 0.13 -2.42 -0.09 0.00 0.51 0.00 0.00 43.02 41.15 1wlr s PHE 175 CO 0.67 -0.76 0.95 0.15 0.70 0.00 0.00 175.22 176.93 1wlr s LYS 176 N 1.39 4.79 0.74 0.44 3.01 0.16 -4.94 119.74 125.34 1wlr s LYS 176 Ca -0.01 1.47 -0.11 0.00 -1.01 0.00 0.00 55.97 56.32 1wlr s LYS 176 Cb -0.20 -3.18 0.03 0.00 -1.01 0.00 0.00 37.83 33.47 1wlr s LYS 176 CO 0.02 0.46 1.08 -1.54 0.51 0.00 0.00 175.35 175.88 1wlr s SER 177 N -1.26 4.87 0.39 2.83 1.04 -1.26 -4.81 113.70 115.50 1wlr s SER 177 Ca 0.43 1.75 0.12 0.00 0.48 0.00 0.00 55.95 58.73 1wlr s SER 177 Cb -0.25 -2.51 0.92 0.00 0.10 0.00 0.00 66.02 64.28 1wlr s SER 177 CO 0.31 -1.79 1.89 -0.65 0.98 0.00 0.00 173.24 173.98 1wlr h PRO 178 N -0.91 0.55 -0.57 4.02 0.11 -1.99 -0.59 132.00 132.63 1wlr h PRO 178 Ca -0.44 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1wlr h PRO 178 Cb 1.22 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1wlr h PRO 178 CO 0.54 0.37 0.07 0.93 -0.21 0.00 0.00 178.00 179.69 1wlr h GLU 179 N 0.57 0.96 -0.74 1.05 3.07 -1.94 -0.67 114.58 116.88 1wlr h GLU 179 Ca 0.42 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 1wlr h GLU 179 Cb 0.80 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 1wlr h GLU 179 CO -0.17 0.92 0.33 0.93 -1.40 0.00 0.00 179.01 179.63 1wlr h GLU 180 N 0.85 1.08 -0.80 2.33 5.08 -1.68 -1.95 114.58 119.49 1wlr h GLU 180 Ca 0.17 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1wlr h GLU 180 Cb 0.45 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1wlr h GLU 180 CO 0.02 0.86 0.32 0.82 -1.00 0.00 0.00 179.01 180.03 1wlr h ILE 181 N 1.05 1.26 -0.80 3.13 2.04 -0.82 -0.44 117.51 122.93 1wlr h ILE 181 Ca 0.25 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1wlr h ILE 181 Cb 0.15 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1wlr h ILE 181 CO -0.03 0.34 0.40 0.00 0.00 0.00 0.00 178.15 178.86 1wlr h ALA 182 N 1.17 1.20 -0.22 1.87 0.00 -0.79 0.25 119.26 122.74 1wlr h ALA 182 Ca 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wlr h ALA 182 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wlr h ALA 182 CO -0.02 0.62 -0.02 0.28 0.00 0.00 0.00 179.25 180.11 1wlr h VAL 183 N 1.13 1.26 -0.50 0.00 2.07 -0.85 -2.05 116.25 117.31 1wlr h VAL 183 Ca 0.28 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1wlr h VAL 183 Cb 0.08 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1wlr h VAL 183 CO -0.04 0.29 0.31 -0.07 0.02 0.00 0.00 177.57 178.08 1wlr h LEU 184 N 0.16 0.59 -0.68 2.57 3.38 -0.80 -0.14 115.31 120.39 1wlr h LEU 184 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1wlr h LEU 184 Cb 0.44 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1wlr h LEU 184 CO 0.01 0.45 0.26 -0.09 0.09 0.00 0.00 178.44 179.16 1wlr h ARG 185 N 0.68 1.01 -0.36 1.13 2.43 -0.24 0.12 114.38 119.16 1wlr h ARG 185 Ca 0.18 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1wlr h ARG 185 Cb -0.04 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1wlr h ARG 185 CO -0.04 0.85 -0.20 -0.09 -1.51 0.00 0.00 179.97 178.98 1wlr h ARG 186 N 0.96 0.77 -0.61 0.20 9.65 -0.78 -1.08 114.38 123.48 1wlr h ARG 186 Ca 0.22 -0.35 0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1wlr h ARG 186 Cb 0.22 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.72 1wlr h ARG 186 CO -0.02 0.97 0.28 0.00 2.80 0.00 0.00 179.97 184.01 1wlr h ALA 187 N 0.78 0.80 -0.64 2.80 0.00 -0.78 0.48 119.26 122.70 1wlr h ALA 187 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1wlr h ALA 187 Cb 0.76 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1wlr h ALA 187 CO 0.06 -0.09 0.29 0.78 0.00 0.00 0.00 179.25 180.29 1wlr h GLY 188 N 0.52 1.00 0.88 0.00 0.00 -0.48 -0.63 103.07 104.36 1wlr h GLY 188 Ca 0.29 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1wlr h GLY 188 CO -0.23 0.49 0.05 0.83 0.00 0.00 0.00 176.54 177.68 1wlr h GLU 189 N 0.89 0.46 -0.37 4.80 5.08 -0.82 0.64 114.58 125.26 1wlr h GLU 189 Ca 0.22 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1wlr h GLU 189 Cb 0.15 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1wlr h GLU 189 CO -0.02 0.56 0.22 0.82 -1.00 0.00 0.00 179.01 179.59 1wlr h ILE 190 N 0.28 1.06 -0.67 3.13 2.04 -0.81 -1.04 117.51 121.50 1wlr h ILE 190 Ca 0.09 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1wlr h ILE 190 Cb 0.32 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1wlr h ILE 190 CO 0.00 0.08 0.27 0.74 0.00 0.00 0.00 178.15 179.24 1wlr h THR 191 N 0.45 1.24 -0.51 -0.27 2.02 -1.00 -2.12 112.91 112.73 1wlr h THR 191 Ca 0.14 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1wlr h THR 191 Cb -0.02 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1wlr h THR 191 CO -0.05 0.30 0.33 0.00 0.37 0.00 0.00 175.52 176.46 1wlr h ALA 192 N 1.11 0.64 -0.85 6.16 0.00 -0.62 -1.47 119.26 124.23 1wlr h ALA 192 Ca 0.22 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1wlr h ALA 192 Cb 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1wlr h ALA 192 CO -0.02 0.10 0.55 0.52 0.00 0.00 0.00 179.25 180.40 1wlr h MET 193 N 0.68 1.05 -0.51 0.00 2.07 -0.98 -0.12 114.93 117.12 1wlr h MET 193 Ca 0.18 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1wlr h MET 193 Cb -0.06 -0.24 -0.03 0.00 -1.87 0.00 0.00 31.60 29.40 1wlr h MET 193 CO -0.04 0.69 0.33 0.00 1.07 0.00 0.00 176.91 178.96 1wlr h ALA 194 N 1.35 0.65 -0.30 6.32 0.00 -0.97 -0.93 119.26 125.38 1wlr h ALA 194 Ca 0.34 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1wlr h ALA 194 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1wlr h ALA 194 CO -0.11 0.11 -0.32 0.45 0.00 0.00 0.00 179.25 179.38 1wlr h HIS 195 N 0.69 0.75 -0.55 0.00 3.86 -0.90 -1.38 115.15 117.61 1wlr h HIS 195 Ca 0.19 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1wlr h HIS 195 Cb -0.06 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1wlr h HIS 195 CO -0.03 0.88 0.32 1.15 0.86 0.00 0.00 177.93 181.11 1wlr h THR 196 N 0.55 1.17 -0.62 2.45 2.02 -0.87 -2.25 112.91 115.36 1wlr h THR 196 Ca 0.06 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.84 1wlr h THR 196 Cb 0.81 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1wlr h THR 196 CO 0.07 0.18 0.41 -0.09 0.37 0.00 0.00 175.52 176.46 1wlr h ARG 197 N 0.74 0.80 -0.45 6.66 2.43 -0.88 -1.68 114.38 122.00 1wlr h ARG 197 Ca 0.20 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1wlr h ARG 197 Cb 0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1wlr h ARG 197 CO -0.03 0.53 0.29 0.00 -1.51 0.00 0.00 179.97 179.24 1wlr h ALA 198 N 1.24 0.57 -0.94 2.80 0.00 -1.04 0.90 119.26 122.78 1wlr h ALA 198 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wlr h ALA 198 Cb -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1wlr h ALA 198 CO -0.06 0.00 0.57 0.52 0.00 0.00 0.00 179.25 180.28 1wlr h MET 199 N 0.59 1.28 0.00 0.00 2.86 -1.20 -0.64 114.93 117.82 1wlr h MET 199 Ca 0.17 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1wlr h MET 199 Cb -0.05 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.34 1wlr h MET 199 CO -0.05 0.90 -0.15 0.93 1.06 0.00 0.00 176.91 179.60 1wlr h GLU 200 N 1.30 0.00 0.00 1.72 5.08 -0.76 -3.24 114.58 118.68 1wlr h GLU 200 Ca 0.34 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1wlr h GLU 200 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1wlr h GLU 200 CO -0.06 0.15 -1.68 1.63 -1.00 0.00 0.00 179.01 178.05 1wlr n LYS 201 N -3.20 0.64 -1.99 2.33 4.76 0.26 -4.76 118.16 116.21 1wlr n LYS 201 Ca 0.02 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1wlr n LYS 201 Cb 0.49 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 1wlr n LYS 201 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wlr s ARG 203 N 1.20 0.36 0.29 0.00 1.81 -1.26 -4.92 118.95 116.42 1wlr s ARG 203 Ca 0.69 -0.52 -0.29 0.00 -1.72 0.00 0.00 55.73 53.89 1wlr s ARG 203 Cb -0.42 0.14 -0.13 0.00 -0.45 0.00 0.00 34.95 34.08 1wlr s ARG 203 CO 0.31 -0.07 1.23 -2.30 -0.68 0.00 0.00 175.30 173.79 1wlr n PRO 204 N 1.60 1.80 0.00 3.54 -0.02 -1.26 -2.04 135.00 138.62 1wlr n PRO 204 Ca -0.23 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1wlr n PRO 204 Cb 0.55 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1wlr n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wlr n GLY 205 N 1.36 3.11 3.76 -1.23 0.00 0.14 -4.96 105.19 107.37 1wlr n GLY 205 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1wlr n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wlr s MET 206 N -0.31 2.59 0.32 1.61 -1.94 -0.87 -4.66 119.30 116.05 1wlr s MET 206 Ca 0.00 1.39 -0.05 0.00 -1.71 0.00 0.00 55.69 55.33 1wlr s MET 206 Cb 0.00 -1.92 -0.05 0.00 2.01 0.00 0.00 34.83 34.87 1wlr s MET 206 CO 0.00 -1.41 0.59 -0.06 -0.01 0.00 0.00 175.02 174.13 1wlr s PHE 207 N -2.41 3.49 0.22 -0.03 0.40 -1.26 -0.22 117.98 118.17 1wlr s PHE 207 Ca 0.67 0.65 -0.08 0.00 -0.60 0.00 0.00 56.93 57.57 1wlr s PHE 207 Cb -0.21 -2.12 0.31 0.00 0.51 0.00 0.00 43.02 41.51 1wlr s PHE 207 CO 0.45 0.11 1.79 0.93 0.70 0.00 0.00 175.22 179.19 1wlr h GLU 208 N 1.41 0.61 0.00 0.44 5.08 -1.32 -1.55 114.58 119.25 1wlr h GLU 208 Ca -0.48 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1wlr h GLU 208 Cb 1.19 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1wlr h GLU 208 CO 0.65 0.40 -0.02 0.10 -1.00 0.00 0.00 179.01 179.15 1wlr h TYR 209 N 0.63 0.00 -0.83 4.33 -0.00 -1.45 -1.83 116.97 117.82 1wlr h TYR 209 Ca 0.34 0.00 0.02 0.00 0.00 0.00 0.00 58.73 59.09 1wlr h TYR 209 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.00 1wlr h TYR 209 CO -0.10 0.02 0.55 0.45 -0.00 0.00 0.00 178.16 179.07 1wlr h HIS 210 N 0.00 1.01 -0.22 0.10 3.86 -1.59 -0.67 115.15 117.65 1wlr h HIS 210 Ca -0.00 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 1wlr h HIS 210 Cb 0.04 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 1wlr h HIS 210 CO 0.00 0.61 -0.56 -0.07 0.86 0.00 0.00 177.93 178.77 1wlr h LEU 211 N 1.07 0.76 -0.69 2.43 3.38 -1.42 -1.86 115.31 118.98 1wlr h LEU 211 Ca 0.32 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1wlr h LEU 211 Cb -0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 1wlr h LEU 211 CO -0.08 1.16 0.34 -0.08 0.09 0.00 0.00 178.44 179.87 1wlr h GLU 212 N 0.52 0.57 -0.69 1.13 4.81 -1.38 -1.52 114.58 118.01 1wlr h GLU 212 Ca 0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1wlr h GLU 212 Cb 1.13 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1wlr h GLU 212 CO 0.11 0.38 0.45 0.78 -0.73 0.00 0.00 179.01 180.01 1wlr h GLY 213 N 0.59 0.97 0.94 1.92 0.00 -0.62 -1.10 103.07 105.77 1wlr h GLY 213 Ca 0.34 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1wlr h GLY 213 CO -0.26 0.35 0.16 0.83 0.00 0.00 0.00 176.54 177.61 1wlr h GLU 214 N 0.93 0.57 -0.06 4.80 4.39 -1.04 -1.92 114.58 122.25 1wlr h GLU 214 Ca 0.26 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1wlr h GLU 214 Cb -0.09 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1wlr h GLU 214 CO -0.06 0.54 0.04 0.82 -1.16 0.00 0.00 179.01 179.19 1wlr h ILE 215 N 0.48 1.03 -0.40 3.13 2.04 -1.06 -2.17 117.51 120.56 1wlr h ILE 215 Ca 0.13 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 1wlr h ILE 215 Cb 0.18 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1wlr h ILE 215 CO -0.01 0.03 -0.15 0.45 0.00 0.00 0.00 178.15 178.47 1wlr h HIS 216 N 0.06 0.80 -0.75 1.37 3.86 -1.17 -0.71 115.15 118.61 1wlr h HIS 216 Ca 0.02 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1wlr h HIS 216 Cb 0.01 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 1wlr h HIS 216 CO -0.07 0.83 0.48 1.25 0.86 0.00 0.00 177.93 181.28 1wlr h HIS 217 N 0.65 0.96 -0.34 2.45 -0.00 -1.23 -1.54 115.15 116.11 1wlr h HIS 217 Ca 0.11 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 1wlr h HIS 217 Cb 0.62 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1wlr h HIS 217 CO 0.03 0.63 -0.13 1.49 -0.00 0.00 0.00 177.93 179.94 1wlr h GLU 218 N 1.02 0.69 -0.13 5.26 4.57 -0.91 -0.44 114.58 124.64 1wlr h GLU 218 Ca 0.27 -0.29 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1wlr h GLU 218 Cb -0.08 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.42 1wlr h GLU 218 CO -0.06 0.88 -0.32 0.74 -1.18 0.00 0.00 179.01 179.07 1wlr h PHE 219 N 0.46 -0.90 -0.81 0.92 0.04 -1.06 -2.78 116.94 112.82 1wlr h PHE 219 Ca 0.08 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.95 1wlr h PHE 219 Cb 0.66 0.41 -0.06 0.00 2.20 0.00 0.00 35.95 39.16 1wlr h PHE 219 CO 0.06 -0.40 0.49 -0.97 -0.60 0.00 0.00 178.31 176.89 1wlr h ASN 220 N -0.40 0.75 0.76 2.17 -0.73 -0.91 -1.64 115.58 115.59 1wlr h ASN 220 Ca 0.09 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 1wlr h ASN 220 Cb 0.55 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.01 1wlr h ASN 220 CO -0.35 0.47 -0.04 0.08 -0.37 0.00 0.00 177.43 177.22 1wlr h ARG 221 N 0.88 0.00 -0.53 6.67 0.11 -0.80 -0.35 114.38 120.37 1wlr h ARG 221 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 1wlr h ARG 221 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1wlr h ARG 221 CO -0.19 0.04 0.00 0.72 0.10 0.00 0.00 179.97 180.64 1wlr n HIS 222 N -3.18 0.71 -0.88 4.08 8.25 -0.92 -4.92 115.22 118.36 1wlr n HIS 222 Ca -0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 1wlr n HIS 222 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1wlr n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wlr n GLY 223 N 1.41 0.52 3.22 -1.41 0.00 -0.14 -5.01 105.19 103.78 1wlr n GLY 223 Ca 0.19 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1wlr n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wlr s ALA 224 N -2.00 3.75 0.15 4.61 0.00 -0.66 -4.81 121.76 122.80 1wlr s ALA 224 Ca 0.00 -3.12 -0.14 0.00 0.00 0.00 0.00 51.96 48.70 1wlr s ALA 224 Cb 0.00 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1wlr s ALA 224 CO 0.00 -2.13 1.70 0.00 0.00 0.00 0.00 175.76 175.33 1wlr h ARG 225 N 7.68 0.71 -6.60 0.00 3.08 -1.79 -2.67 114.38 114.79 1wlr h ARG 225 Ca -0.02 -0.13 -0.67 0.00 0.07 0.00 0.00 59.98 59.23 1wlr h ARG 225 Cb 1.02 -0.11 -0.18 0.00 0.08 0.00 0.00 29.97 30.77 1wlr h ARG 225 CO 0.77 0.64 -0.77 0.71 -1.07 0.00 0.00 179.97 180.25 1wlr s TYR 226 N -5.55 2.64 0.76 3.04 2.02 -1.26 -4.65 117.35 114.35 1wlr s TYR 226 Ca -0.13 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 1wlr s TYR 226 Cb 0.11 -1.42 0.06 0.00 -0.40 0.00 0.00 41.96 40.31 1wlr s TYR 226 CO 0.77 0.37 1.11 -2.14 -1.57 0.00 0.00 175.55 174.09 1wlr s PRO 227 N -1.96 2.18 0.12 -1.71 0.02 -1.26 -1.20 135.00 131.18 1wlr s PRO 227 Ca 0.18 1.33 0.26 0.00 0.02 0.00 0.00 61.00 62.80 1wlr s PRO 227 Cb -0.11 -1.88 0.82 0.00 0.02 0.00 0.00 34.50 33.36 1wlr s PRO 227 CO 0.10 -1.72 1.71 -1.13 -0.33 0.00 0.00 177.00 175.63 1wlr n SER 228 N -3.31 0.54 -3.69 2.53 3.41 0.40 -4.47 113.62 109.03 1wlr n SER 228 Ca 0.10 0.41 -0.05 0.00 -0.26 0.00 0.00 58.87 59.06 1wlr n SER 228 Cb 0.52 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1wlr n SER 228 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1wlr s TYR 229 N -3.08 -0.21 0.02 7.33 1.13 -1.26 -4.71 117.35 116.58 1wlr s TYR 229 Ca 0.11 -0.07 -0.30 0.00 -1.41 0.00 0.00 57.07 55.40 1wlr s TYR 229 Cb 0.15 0.62 -0.07 0.00 -1.10 0.00 0.00 41.96 41.55 1wlr s TYR 229 CO 0.61 -0.80 1.65 -0.80 -2.51 0.00 0.00 175.55 173.70 1wlr s ASN 230 N -2.82 6.63 0.25 -0.18 0.01 -1.26 -4.72 114.94 112.85 1wlr s ASN 230 Ca 0.10 2.39 -0.30 0.00 -0.71 0.00 0.00 52.86 54.34 1wlr s ASN 230 Cb -0.02 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 1wlr s ASN 230 CO -0.01 -0.89 1.47 -0.89 -1.51 0.00 0.00 177.10 175.27 1wlr s THR 231 N 3.17 2.57 -0.22 1.60 2.01 -1.26 -4.94 115.64 118.58 1wlr s THR 231 Ca 0.74 0.47 -0.05 0.00 0.31 0.00 0.00 61.69 63.16 1wlr s THR 231 Cb -0.37 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1wlr s THR 231 CO 0.32 0.07 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.67 1wlr s ILE 232 N 0.10 3.70 -0.43 1.82 1.01 0.00 -4.64 121.20 122.76 1wlr s ILE 232 Ca 0.61 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1wlr s ILE 232 Cb -0.43 -2.69 0.13 0.00 0.01 0.00 0.00 42.46 39.49 1wlr s ILE 232 CO 0.43 0.41 0.23 -0.69 0.00 0.00 0.00 174.94 175.32 1wlr s VAL 233 N 1.31 1.35 -0.44 2.92 1.01 -1.23 -0.97 120.40 124.35 1wlr s VAL 233 Ca 0.04 -2.46 -0.07 0.00 0.00 0.00 0.00 61.98 59.49 1wlr s VAL 233 Cb -0.15 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.39 1wlr s VAL 233 CO -0.00 -0.88 0.28 -0.83 0.00 0.00 0.00 175.10 173.67 1wlr s GLY 234 N 0.46 2.01 0.10 4.51 0.00 0.21 -4.53 107.32 110.09 1wlr s GLY 234 Ca 0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 44.72 42.38 1wlr s GLY 234 CO -0.01 1.05 0.32 -1.35 0.00 0.00 0.00 173.10 173.12 1wlr s SER 235 N 2.29 6.46 1.11 1.64 1.04 -1.26 -1.12 113.70 123.87 1wlr s SER 235 Ca 0.06 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1wlr s SER 235 Cb -0.25 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1wlr s SER 235 CO -0.02 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1wlr n GLY 236 N 0.28 3.03 0.34 7.32 0.00 0.09 -1.32 105.19 114.94 1wlr n GLY 236 Ca -0.04 -0.31 0.18 0.00 0.00 0.00 0.00 46.02 45.85 1wlr n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wlr h GLU 237 N 0.00 0.00 0.00 1.61 5.08 -1.91 -1.50 114.58 117.86 1wlr h GLU 237 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wlr h GLU 237 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wlr h GLU 237 CO 0.00 0.00 -0.13 -0.91 -1.00 0.00 0.00 179.01 176.97 1wlr h ASN 238 N 0.00 0.00 0.51 1.42 2.35 -1.48 -2.06 115.58 116.31 1wlr h ASN 238 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1wlr h ASN 238 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1wlr h ASN 238 CO -0.00 0.13 0.00 1.23 -1.65 0.00 0.00 177.43 177.14 1wlr h GLY 239 N 1.29 0.00 0.42 2.83 0.00 -1.19 -1.83 103.07 104.59 1wlr h GLY 239 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wlr h GLY 239 CO 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.51 1wlr s ILE 241 N -2.18 5.27 0.12 0.00 1.01 -0.69 -5.00 121.20 119.72 1wlr s ILE 241 Ca 0.37 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.74 1wlr s ILE 241 Cb 0.21 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 1wlr s ILE 241 CO 0.40 0.09 1.75 -0.07 0.00 0.00 0.00 174.94 177.11 1wlr h LEU 242 N 8.44 0.07 -5.08 2.97 3.38 -1.86 -2.71 115.31 120.53 1wlr h LEU 242 Ca -0.33 0.01 -0.69 0.00 0.09 0.00 0.00 57.88 56.96 1wlr h LEU 242 Cb 1.17 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.58 1wlr h LEU 242 CO 0.60 0.06 0.21 1.41 0.09 0.00 0.00 178.44 180.82 1wlr n HIS 243 N -5.05 3.25 -2.07 1.13 8.25 -1.26 -5.02 115.22 114.46 1wlr n HIS 243 Ca -0.04 -2.87 -0.43 0.00 -0.26 0.00 0.00 57.72 54.12 1wlr n HIS 243 Cb 0.05 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 1wlr n HIS 243 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1wlr s TYR 244 N -3.85 1.98 0.00 4.41 5.04 -1.03 -4.85 117.35 119.06 1wlr s TYR 244 Ca 0.48 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1wlr s TYR 244 Cb 0.36 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.61 1wlr s TYR 244 CO -0.26 -2.96 0.54 0.25 -1.34 0.00 0.00 175.55 171.79 1wlr n THR 245 N 6.82 0.16 -0.29 4.34 -2.24 -1.26 -3.56 114.28 118.26 1wlr n THR 245 Ca 0.20 -0.53 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 1wlr n THR 245 Cb 0.46 1.01 0.11 0.00 -2.10 0.00 0.00 70.33 69.80 1wlr n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wlr h GLU 246 N 0.00 1.18 -6.79 -0.78 3.07 -1.90 -3.47 114.58 105.89 1wlr h GLU 246 Ca 0.00 -0.17 -0.56 0.00 -0.50 0.00 0.00 59.36 58.14 1wlr h GLU 246 Cb 0.15 -0.22 -0.20 0.00 -0.84 0.00 0.00 28.75 27.64 1wlr h GLU 246 CO 0.00 0.90 -0.87 0.09 -1.40 0.00 0.00 179.01 177.73 1wlr n ASN 247 N -4.31 -2.06 -0.23 1.42 3.02 -1.26 -4.83 115.26 107.01 1wlr n ASN 247 Ca 0.08 -1.07 0.06 0.00 -0.03 0.00 0.00 54.58 53.62 1wlr n ASN 247 Cb 0.13 -2.55 -0.02 0.00 -0.61 0.00 0.00 39.78 36.74 1wlr n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wlr n GLU 248 N -4.37 2.14 -3.79 3.52 0.28 -1.26 -1.23 120.64 115.93 1wlr n GLU 248 Ca -0.04 -0.55 -0.30 0.00 -0.16 0.00 0.00 57.16 56.11 1wlr n GLU 248 Cb 0.55 -1.14 -0.04 0.00 1.43 0.00 0.00 31.44 32.23 1wlr n GLU 248 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wlr s GLU 250 N -2.75 4.35 -0.08 0.00 2.12 -1.26 -1.21 118.70 119.88 1wlr s GLU 250 Ca 0.38 2.02 -0.29 0.00 0.36 0.00 0.00 54.97 57.44 1wlr s GLU 250 Cb -0.12 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 1wlr s GLU 250 CO 0.27 -0.37 0.96 -1.64 -0.54 0.00 0.00 175.26 173.94 1wlr s MET 251 N 0.83 4.45 -0.11 4.30 -1.94 0.70 -4.92 119.30 122.61 1wlr s MET 251 Ca 0.62 1.32 -0.12 0.00 -1.71 0.00 0.00 55.69 55.80 1wlr s MET 251 Cb -0.35 -3.52 -0.05 0.00 2.01 0.00 0.00 34.83 32.92 1wlr s MET 251 CO 0.32 -0.21 0.29 1.03 -0.01 0.00 0.00 175.02 176.43 1wlr s ARG 252 N 1.65 3.99 -0.33 2.03 1.81 -1.26 -0.69 118.95 126.16 1wlr s ARG 252 Ca 0.48 0.12 -0.40 0.00 -1.72 0.00 0.00 55.73 54.21 1wlr s ARG 252 Cb -0.19 -3.32 -0.15 0.00 -0.45 0.00 0.00 34.95 30.84 1wlr s ARG 252 CO 0.20 0.47 1.87 -3.47 -0.68 0.00 0.00 175.30 173.70 1wlr n ASP 253 N 2.77 2.14 0.00 0.23 -0.08 -1.26 -1.71 116.55 118.64 1wlr n ASP 253 Ca -0.14 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1wlr n ASP 253 Cb 0.53 -1.13 0.00 0.00 2.34 0.00 0.00 41.12 42.85 1wlr n ASP 253 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wlr n GLY 254 N 5.01 1.60 3.93 0.27 0.00 -1.26 -5.02 105.19 109.72 1wlr n GLY 254 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 1wlr n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wlr s ASP 255 N -1.78 6.35 0.48 1.61 1.01 -0.70 -4.93 116.67 118.72 1wlr s ASP 255 Ca 0.00 0.43 -0.07 0.00 0.71 0.00 0.00 52.55 53.63 1wlr s ASP 255 Cb 0.00 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 1wlr s ASP 255 CO 0.00 -0.17 0.80 -0.76 0.21 0.00 0.00 175.17 175.25 1wlr s LEU 256 N -3.84 3.64 -0.06 1.23 1.43 -1.26 -1.13 118.68 118.69 1wlr s LEU 256 Ca 0.39 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 1wlr s LEU 256 Cb -0.10 -3.95 0.01 0.00 0.03 0.00 0.00 46.19 42.18 1wlr s LEU 256 CO 0.32 -0.56 -0.11 0.54 0.23 0.00 0.00 176.35 176.77 1wlr s VAL 257 N -2.70 1.02 -0.28 -1.59 0.11 0.10 -0.73 120.40 116.34 1wlr s VAL 257 Ca 0.49 -0.41 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1wlr s VAL 257 Cb -0.10 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1wlr s VAL 257 CO 0.43 0.33 0.13 -0.22 -3.33 0.00 0.00 175.10 172.43 1wlr s LEU 258 N 0.71 3.80 -0.20 2.54 0.20 -0.27 -1.31 118.68 124.14 1wlr s LEU 258 Ca -0.14 -0.27 -0.03 0.00 0.69 0.00 0.00 54.13 54.38 1wlr s LEU 258 Cb -0.16 -2.00 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 1wlr s LEU 258 CO 0.03 -0.09 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.30 1wlr s ILE 259 N 1.65 3.25 -0.24 6.68 1.01 0.50 -0.62 121.20 133.43 1wlr s ILE 259 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1wlr s ILE 259 Cb -0.16 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 39.91 1wlr s ILE 259 CO 0.06 0.45 -0.07 -0.62 0.00 0.00 0.00 174.94 174.76 1wlr s ASP 260 N 1.30 4.04 -0.08 3.58 -1.08 -0.14 -1.39 116.67 122.90 1wlr s ASP 260 Ca 0.04 -1.26 -0.28 0.00 -0.52 0.00 0.00 52.55 50.53 1wlr s ASP 260 Cb -0.14 -1.29 0.06 0.00 -1.46 0.00 0.00 42.92 40.09 1wlr s ASP 260 CO -0.03 -0.23 0.64 0.00 0.52 0.00 0.00 175.17 176.08 1wlr s ALA 261 N 1.30 -1.65 -0.14 3.66 0.00 -0.44 -0.82 121.76 123.67 1wlr s ALA 261 Ca -0.06 1.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 1wlr s ALA 261 Cb -0.19 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.80 1wlr s ALA 261 CO -0.06 -0.35 0.61 0.20 0.00 0.00 0.00 175.76 176.17 1wlr s GLY 262 N -0.92 -0.48 0.61 0.00 0.00 -1.26 -1.97 107.32 103.30 1wlr s GLY 262 Ca -0.09 1.45 -0.05 0.00 0.00 0.00 0.00 44.72 46.03 1wlr s GLY 262 CO 0.08 1.17 0.92 0.00 0.00 0.00 0.00 173.10 175.26 1wlr s GLU 264 N -5.03 2.76 -0.19 0.00 2.12 -0.34 -0.88 118.70 117.14 1wlr s GLU 264 Ca 0.55 -1.02 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1wlr s GLU 264 Cb -0.11 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.43 1wlr s GLU 264 CO 0.44 -0.39 -0.14 -0.47 -0.54 0.00 0.00 175.26 174.16 1wlr s TYR 265 N 1.28 2.56 -1.51 5.30 5.04 -0.11 -4.29 117.35 125.61 1wlr s TYR 265 Ca -0.01 -1.61 -0.14 0.00 -2.44 0.00 0.00 57.07 52.87 1wlr s TYR 265 Cb -0.17 -1.74 0.11 0.00 0.35 0.00 0.00 41.96 40.51 1wlr s TYR 265 CO -0.06 -0.76 0.75 1.63 -1.34 0.00 0.00 175.55 175.77 1wlr n LYS 266 N 4.66 -4.04 0.00 4.97 4.76 -1.26 -1.27 118.16 125.98 1wlr n LYS 266 Ca -0.17 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1wlr n LYS 266 Cb 0.48 -5.27 0.00 0.00 -1.84 0.00 0.00 35.03 28.40 1wlr n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wlr n GLY 267 N -1.42 2.93 3.84 0.72 0.00 -1.26 -4.93 105.19 105.07 1wlr n GLY 267 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1wlr n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wlr s TYR 268 N -2.19 3.70 -0.04 1.61 1.51 -0.40 -4.43 117.35 117.12 1wlr s TYR 268 Ca 0.00 0.90 -0.22 0.00 -1.01 0.00 0.00 57.07 56.74 1wlr s TYR 268 Cb 0.00 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1wlr s TYR 268 CO 0.00 0.64 0.65 0.00 -1.11 0.00 0.00 175.55 175.73 1wlr s ALA 269 N -0.98 3.40 0.38 3.71 0.00 0.11 -0.93 121.76 127.45 1wlr s ALA 269 Ca 0.22 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 1wlr s ALA 269 Cb -0.16 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1wlr s ALA 269 CO 0.11 0.02 0.66 0.20 0.00 0.00 0.00 175.76 176.75 1wlr s GLY 270 N 0.35 1.67 -0.29 0.00 0.00 -0.05 -4.67 107.32 104.33 1wlr s GLY 270 Ca 0.34 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1wlr s GLY 270 CO 0.18 -0.41 0.53 -0.35 0.00 0.00 0.00 173.10 173.05 1wlr s ASP 271 N -3.60 -0.94 -0.03 1.64 -1.08 -1.26 -3.94 116.67 107.47 1wlr s ASP 271 Ca 0.46 0.20 0.07 0.00 -0.52 0.00 0.00 52.55 52.76 1wlr s ASP 271 Cb -0.10 1.76 -0.02 0.00 -1.46 0.00 0.00 42.92 43.10 1wlr s ASP 271 CO 0.36 -0.30 -0.25 -0.63 0.52 0.00 0.00 175.17 174.86 1wlr s ILE 272 N 2.74 2.14 -0.09 4.11 1.01 -0.83 -4.46 121.20 125.83 1wlr s ILE 272 Ca 0.12 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1wlr s ILE 272 Cb -0.12 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 1wlr s ILE 272 CO -0.25 0.58 -0.24 -0.89 0.00 0.00 0.00 174.94 174.14 1wlr s THR 273 N -0.59 2.10 -0.01 2.92 2.01 -1.12 -1.33 115.64 119.62 1wlr s THR 273 Ca 0.09 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1wlr s THR 273 Cb -0.10 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1wlr s THR 273 CO -0.01 0.56 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.25 1wlr s ARG 274 N 0.17 0.87 -0.07 4.92 1.81 -0.48 -0.97 118.95 125.20 1wlr s ARG 274 Ca -0.14 -0.39 0.04 0.00 -1.72 0.00 0.00 55.73 53.53 1wlr s ARG 274 Cb -0.17 -0.85 -0.01 0.00 -0.45 0.00 0.00 34.95 33.48 1wlr s ARG 274 CO 0.07 0.23 -0.21 0.99 -0.68 0.00 0.00 175.30 175.70 1wlr s THR 275 N -0.25 2.39 0.11 0.02 2.01 -1.21 -0.37 115.64 118.33 1wlr s THR 275 Ca 0.04 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.95 1wlr s THR 275 Cb -0.04 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.59 1wlr s THR 275 CO -0.00 0.56 0.37 0.72 -0.69 0.00 0.00 174.62 175.58 1wlr s PHE 276 N -0.11 -0.16 0.11 4.92 -0.71 -0.43 -4.97 117.98 116.63 1wlr s PHE 276 Ca -0.04 -0.12 -0.31 0.00 -1.04 0.00 0.00 56.93 55.41 1wlr s PHE 276 Cb -0.14 0.20 -0.08 0.00 -1.21 0.00 0.00 43.02 41.79 1wlr s PHE 276 CO 0.04 -0.65 1.44 -1.25 -1.34 0.00 0.00 175.22 173.45 1wlr s PRO 277 N -3.57 4.29 0.29 1.99 0.04 -1.26 -0.72 135.00 136.06 1wlr s PRO 277 Ca 0.02 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.23 1wlr s PRO 277 Cb 0.02 -3.27 0.67 0.00 0.04 0.00 0.00 34.50 31.96 1wlr s PRO 277 CO -0.10 -0.49 1.79 0.28 0.04 0.00 0.00 177.00 178.52 1wlr h VAL 278 N 4.28 0.77 -0.46 -0.36 2.07 -1.42 -1.95 116.25 119.18 1wlr h VAL 278 Ca -0.42 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1wlr h VAL 278 Cb 1.21 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1wlr h VAL 278 CO 0.88 0.15 0.00 -0.46 0.02 0.00 0.00 177.57 178.16 1wlr n ASN 279 N -4.73 2.49 0.00 0.57 0.23 -1.26 -4.09 115.26 108.47 1wlr n ASN 279 Ca 0.22 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.28 1wlr n ASN 279 Cb 0.50 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1wlr n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wlr n GLY 280 N 1.25 1.14 2.72 4.83 0.00 -0.73 -5.02 105.19 109.37 1wlr n GLY 280 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1wlr n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wlr s LYS 281 N -0.24 0.36 0.31 1.61 2.47 -1.26 -4.52 119.74 118.47 1wlr s LYS 281 Ca 0.00 0.10 -0.29 0.00 -1.56 0.00 0.00 55.97 54.22 1wlr s LYS 281 Cb 0.00 -1.08 -0.11 0.00 -1.46 0.00 0.00 37.83 35.19 1wlr s LYS 281 CO 0.00 -0.39 1.45 -0.06 0.16 0.00 0.00 175.35 176.51 1wlr s PHE 282 N 2.03 2.87 0.89 4.03 0.08 -1.26 -4.83 117.98 121.79 1wlr s PHE 282 Ca 0.04 1.10 -0.12 0.00 0.12 0.00 0.00 56.93 58.07 1wlr s PHE 282 Cb -0.13 -3.89 0.12 0.00 -0.57 0.00 0.00 43.02 38.56 1wlr s PHE 282 CO -0.05 -2.74 1.12 0.95 -0.10 0.00 0.00 175.22 174.39 1wlr s THR 283 N -0.54 2.36 0.17 0.64 -4.23 -1.26 -4.82 115.64 107.96 1wlr s THR 283 Ca 0.56 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 61.05 1wlr s THR 283 Cb -0.44 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 70.65 1wlr s THR 283 CO 0.51 -0.15 1.82 -0.61 -0.54 0.00 0.00 174.62 175.65 1wlr h GLN 284 N -1.43 0.72 -0.46 3.99 4.15 -1.98 0.16 115.11 120.24 1wlr h GLN 284 Ca -0.50 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 58.86 1wlr h GLN 284 Cb 1.31 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 1wlr h GLN 284 CO 0.60 0.50 0.28 0.00 -1.93 0.00 0.00 178.83 178.28 1wlr h ALA 285 N 1.17 0.59 -0.50 3.38 0.00 -1.93 -0.31 119.26 121.66 1wlr h ALA 285 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wlr h ALA 285 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1wlr h ALA 285 CO -0.04 0.08 0.22 1.96 0.00 0.00 0.00 179.25 181.48 1wlr h GLN 286 N 0.62 0.73 -0.66 0.00 4.20 -1.82 -2.66 115.11 115.52 1wlr h GLN 286 Ca 0.17 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1wlr h GLN 286 Cb -0.00 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1wlr h GLN 286 CO -0.03 0.63 0.19 -0.09 -0.67 0.00 0.00 178.83 178.86 1wlr h ARG 287 N 0.67 1.03 -0.82 1.46 9.65 -0.75 0.27 114.38 125.89 1wlr h ARG 287 Ca 0.17 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1wlr h ARG 287 Cb 0.15 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1wlr h ARG 287 CO -0.02 0.89 0.50 0.93 2.80 0.00 0.00 179.97 185.07 1wlr h GLU 288 N 0.99 1.10 -0.10 0.20 5.08 -0.80 -0.62 114.58 120.43 1wlr h GLU 288 Ca 0.21 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1wlr h GLU 288 Cb 0.30 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1wlr h GLU 288 CO -0.01 0.77 -0.41 0.82 -1.00 0.00 0.00 179.01 179.18 1wlr h ILE 289 N 1.12 1.39 -0.72 3.13 1.08 -1.21 -3.28 117.51 119.01 1wlr h ILE 289 Ca 0.29 -1.75 0.11 0.00 -0.39 0.00 0.00 64.86 63.12 1wlr h ILE 289 Cb -0.06 2.22 -0.08 0.00 -3.07 0.00 0.00 36.82 35.82 1wlr h ILE 289 CO -0.06 0.52 0.32 0.22 -0.69 0.00 0.00 178.15 178.46 1wlr h TYR 290 N 0.01 0.57 -0.44 1.37 3.20 -0.76 -2.21 116.97 118.71 1wlr h TYR 290 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1wlr h TYR 290 Cb 1.05 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1wlr h TYR 290 CO 0.12 0.15 0.22 -0.44 -1.64 0.00 0.00 178.16 176.57 1wlr h ASP 291 N 0.52 0.54 -0.24 -2.11 3.32 -1.18 0.68 116.42 117.96 1wlr h ASP 291 Ca 0.37 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 1wlr h ASP 291 Cb 0.48 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1wlr h ASP 291 CO -0.33 0.46 -0.15 0.40 -1.72 0.00 0.00 179.24 177.90 1wlr h ILE 292 N 0.61 1.31 -0.39 0.35 2.04 -1.47 -1.24 117.51 118.72 1wlr h ILE 292 Ca 0.16 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1wlr h ILE 292 Cb 0.05 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1wlr h ILE 292 CO -0.02 0.39 0.06 0.58 0.00 0.00 0.00 178.15 179.16 1wlr h VAL 293 N 0.23 1.24 -0.42 1.67 2.07 -1.16 -1.58 116.25 118.30 1wlr h VAL 293 Ca 0.05 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1wlr h VAL 293 Cb 0.67 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1wlr h VAL 293 CO 0.04 0.30 0.24 0.25 0.02 0.00 0.00 177.57 178.42 1wlr h LEU 294 N 0.50 0.52 -0.88 2.57 5.85 -0.87 -1.65 115.31 121.34 1wlr h LEU 294 Ca 0.12 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1wlr h LEU 294 Cb 0.37 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1wlr h LEU 294 CO 0.01 0.44 0.55 -0.08 -0.34 0.00 0.00 178.44 179.02 1wlr h GLU 295 N 0.55 0.99 -0.28 1.25 4.57 -1.14 0.16 114.58 120.68 1wlr h GLU 295 Ca 0.15 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1wlr h GLU 295 Cb 0.03 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.35 1wlr h GLU 295 CO -0.03 0.66 -0.02 0.77 -1.18 0.00 0.00 179.01 179.21 1wlr h SER 296 N 1.02 -0.15 -0.20 1.04 0.02 -0.81 -0.39 113.55 114.09 1wlr h SER 296 Ca 0.38 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.35 1wlr h SER 296 Cb 0.14 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1wlr h SER 296 CO -0.16 -0.04 -0.05 0.25 -1.14 0.00 0.00 176.83 175.69 1wlr h LEU 297 N 0.06 0.39 -0.82 5.07 5.85 -0.71 -1.98 115.31 123.17 1wlr h LEU 297 Ca 0.14 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1wlr h LEU 297 Cb 0.19 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1wlr h LEU 297 CO -0.25 0.66 0.43 -0.33 -0.34 0.00 0.00 178.44 178.61 1wlr h GLU 298 N 0.11 1.16 -0.62 1.25 5.08 -0.58 0.26 114.58 121.23 1wlr h GLU 298 Ca 0.05 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1wlr h GLU 298 Cb 0.49 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1wlr h GLU 298 CO 0.02 0.87 0.14 1.15 -1.00 0.00 0.00 179.01 180.19 1wlr h THR 299 N 1.15 1.26 -0.74 1.13 2.02 -1.08 -1.75 112.91 114.90 1wlr h THR 299 Ca 0.29 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1wlr h THR 299 Cb 0.07 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1wlr h THR 299 CO -0.04 0.35 0.39 0.28 0.37 0.00 0.00 175.52 176.87 1wlr h SER 300 N 0.92 0.94 -0.15 4.18 0.02 -0.77 -1.00 113.55 117.69 1wlr h SER 300 Ca 0.19 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1wlr h SER 300 Cb 0.37 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1wlr h SER 300 CO 0.00 0.78 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.28 1wlr h LEU 301 N 1.03 0.50 -0.57 5.07 3.38 -0.74 -0.47 115.31 123.50 1wlr h LEU 301 Ca 0.26 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1wlr h LEU 301 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1wlr h LEU 301 CO -0.04 0.66 -0.32 0.03 0.09 0.00 0.00 178.44 178.86 1wlr h ARG 302 N 0.47 0.79 0.17 1.13 3.08 -0.90 -3.36 114.38 115.77 1wlr h ARG 302 Ca 0.09 -0.37 -0.33 0.00 0.07 0.00 0.00 59.98 59.44 1wlr h ARG 302 Cb 0.51 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1wlr h ARG 302 CO 0.03 1.00 -1.59 -0.07 -1.07 0.00 0.00 179.97 178.27 1wlr h LEU 303 N 0.66 0.56 -9.48 3.04 3.38 -0.63 -3.47 115.31 109.38 1wlr h LEU 303 Ca 0.07 -0.75 -0.55 0.00 0.09 0.00 0.00 57.88 56.74 1wlr h LEU 303 Cb 0.86 -0.18 0.04 0.00 0.09 0.00 0.00 40.66 41.47 1wlr h LEU 303 CO 0.08 1.62 1.05 -1.22 0.09 0.00 0.00 178.44 180.06 1wlr n TYR 304 N -3.56 2.52 -3.67 1.13 4.01 -0.24 -4.93 117.16 112.42 1wlr n TYR 304 Ca -0.19 -0.04 -0.04 0.00 -0.16 0.00 0.00 57.90 57.46 1wlr n TYR 304 Cb 1.07 -2.68 -0.01 0.00 -0.31 0.00 0.00 39.34 37.40 1wlr n TYR 304 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1wlr s ARG 305 N 2.55 0.99 0.29 -0.72 1.70 -1.26 -3.41 118.95 119.09 1wlr s ARG 305 Ca 0.83 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 55.28 1wlr s ARG 305 Cb -0.55 0.36 -0.12 0.00 -0.57 0.00 0.00 34.95 34.07 1wlr s ARG 305 CO 0.39 -0.45 1.59 -2.30 -1.08 0.00 0.00 175.30 173.45 1wlr n PRO 306 N -0.41 2.67 0.00 3.89 -0.02 -1.26 -3.08 135.00 136.79 1wlr n PRO 306 Ca -0.07 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1wlr n PRO 306 Cb 0.61 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1wlr n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wlr n GLY 307 N 2.20 2.54 0.00 -1.23 0.00 -0.54 -4.95 105.19 103.22 1wlr n GLY 307 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wlr n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wlr n THR 308 N -1.82 0.00 -3.87 2.61 5.66 -1.18 -4.78 114.28 110.91 1wlr n THR 308 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1wlr n THR 308 Cb 0.00 -1.16 -0.07 0.00 -1.55 0.00 0.00 70.33 67.55 1wlr n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wlr s SER 309 N -1.00 0.08 0.26 1.09 1.04 -1.26 -0.36 113.70 113.55 1wlr s SER 309 Ca 0.00 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 55.72 1wlr s SER 309 Cb 0.00 0.37 0.40 0.00 0.10 0.00 0.00 66.02 66.89 1wlr s SER 309 CO 0.00 -0.78 1.87 0.40 0.98 0.00 0.00 173.24 175.71 1wlr h ILE 310 N 2.68 1.05 -0.21 -1.02 2.04 -1.75 -1.78 117.51 118.53 1wlr h ILE 310 Ca -0.33 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1wlr h ILE 310 Cb 1.21 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1wlr h ILE 310 CO 0.54 0.20 0.08 0.25 0.00 0.00 0.00 178.15 179.22 1wlr h LEU 311 N 1.09 0.11 -0.36 1.44 5.85 -1.48 0.20 115.31 122.16 1wlr h LEU 311 Ca 0.42 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.14 1wlr h LEU 311 Cb 0.21 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1wlr h LEU 311 CO -0.18 0.09 0.13 -0.08 -0.34 0.00 0.00 178.44 178.05 1wlr h GLU 312 N 0.19 0.54 -0.53 1.25 4.81 -1.78 -1.54 114.58 117.52 1wlr h GLU 312 Ca 0.09 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1wlr h GLU 312 Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1wlr h GLU 312 CO -0.08 0.55 -0.05 0.28 -0.73 0.00 0.00 179.01 178.98 1wlr h VAL 313 N 0.43 1.26 -0.93 0.32 2.07 -1.21 -2.47 116.25 115.71 1wlr h VAL 313 Ca 0.12 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.59 1wlr h VAL 313 Cb 0.22 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1wlr h VAL 313 CO -0.01 0.41 0.56 0.74 0.02 0.00 0.00 177.57 179.29 1wlr h THR 314 N 0.85 0.91 -0.99 2.57 2.02 -0.25 -1.67 112.91 116.35 1wlr h THR 314 Ca 0.15 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 67.14 1wlr h THR 314 Cb 0.57 -0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.83 1wlr h THR 314 CO 0.03 0.16 0.62 1.23 0.37 0.00 0.00 175.52 177.94 1wlr h GLY 315 N 0.90 1.57 1.07 2.16 0.00 -0.81 -0.22 103.07 107.75 1wlr h GLY 315 Ca 0.46 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1wlr h GLY 315 CO -0.26 0.16 -0.25 0.83 0.00 0.00 0.00 176.54 177.02 1wlr h GLU 316 N 0.96 0.90 -0.32 4.80 4.39 -1.26 -2.81 114.58 121.25 1wlr h GLU 316 Ca 0.49 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1wlr h GLU 316 Cb 0.51 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1wlr h GLU 316 CO -0.25 1.07 0.12 0.28 -1.16 0.00 0.00 179.01 179.06 1wlr h VAL 317 N 0.73 1.19 -0.80 3.13 2.07 -0.96 -2.03 116.25 119.58 1wlr h VAL 317 Ca 0.09 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1wlr h VAL 317 Cb 0.82 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 1wlr h VAL 317 CO 0.07 0.20 0.47 0.58 0.02 0.00 0.00 177.57 178.91 1wlr h VAL 318 N 0.36 0.97 -0.38 2.57 2.07 -1.05 0.50 116.25 121.30 1wlr h VAL 318 Ca 0.11 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1wlr h VAL 318 Cb 0.20 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1wlr h VAL 318 CO -0.01 0.15 0.10 -0.09 0.02 0.00 0.00 177.57 177.75 1wlr h ARG 319 N 0.83 0.60 -0.68 1.57 2.43 -1.26 0.21 114.38 118.07 1wlr h ARG 319 Ca 0.37 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 1wlr h ARG 319 Cb 0.25 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1wlr h ARG 319 CO -0.21 0.62 0.36 0.82 -1.51 0.00 0.00 179.97 180.05 1wlr h ILE 320 N 0.46 0.92 0.03 1.20 2.04 -0.89 -0.88 117.51 120.39 1wlr h ILE 320 Ca 0.12 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1wlr h ILE 320 Cb 0.28 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1wlr h ILE 320 CO -0.00 0.12 -0.01 0.24 0.00 0.00 0.00 178.15 178.49 1wlr h MET 321 N 0.65 -0.04 -0.48 2.37 2.86 -0.57 -1.77 114.93 117.95 1wlr h MET 321 Ca 0.32 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 1wlr h MET 321 Cb 0.26 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1wlr h MET 321 CO -0.22 0.43 0.26 0.28 1.06 0.00 0.00 176.91 178.72 1wlr h VAL 322 N -0.51 0.99 -0.65 -2.22 2.07 -0.92 -0.17 116.25 114.84 1wlr h VAL 322 Ca -0.00 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1wlr h VAL 322 Cb 0.48 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1wlr h VAL 322 CO 0.01 0.09 0.41 0.28 0.02 0.00 0.00 177.57 178.38 1wlr h SER 323 N 0.51 0.68 -0.36 0.57 0.02 -1.16 -0.92 113.55 112.89 1wlr h SER 323 Ca 0.20 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1wlr h SER 323 Cb 0.08 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1wlr h SER 323 CO -0.12 0.48 -0.25 1.23 -1.14 0.00 0.00 176.83 177.03 1wlr h GLY 324 N 0.82 0.87 1.59 -3.77 0.00 -0.78 -1.84 103.07 99.96 1wlr h GLY 324 Ca 0.26 -0.84 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 1wlr h GLY 324 CO -0.09 0.76 -0.27 1.41 0.00 0.00 0.00 176.54 178.35 1wlr h LEU 325 N 0.59 0.48 -0.15 3.11 3.38 -0.84 -2.13 115.31 119.76 1wlr h LEU 325 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1wlr h LEU 325 Cb 0.82 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1wlr h LEU 325 CO 0.07 0.74 0.03 0.58 0.09 0.00 0.00 178.44 179.95 1wlr h VAL 326 N 0.42 1.20 -0.48 1.22 2.07 -1.06 0.09 116.25 119.71 1wlr h VAL 326 Ca 0.06 -0.64 0.10 0.00 0.82 0.00 0.00 66.70 67.04 1wlr h VAL 326 Cb 0.69 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1wlr h VAL 326 CO 0.05 0.19 0.33 0.50 0.02 0.00 0.00 177.57 178.66 1wlr h LYS 327 N 0.04 0.21 -0.01 1.57 3.64 -1.07 -1.36 116.57 119.59 1wlr h LYS 327 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1wlr h LYS 327 Cb 0.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1wlr h LYS 327 CO 0.00 0.14 -0.23 1.28 -2.27 0.00 0.00 179.45 178.37 1wlr n LEU 328 N -4.45 1.26 -0.01 5.20 4.77 -0.82 -4.94 117.00 117.99 1wlr n LEU 328 Ca 0.08 -0.37 -0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1wlr n LEU 328 Cb 0.40 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1wlr n LEU 328 CO 0.35 0.23 -0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1wlr n GLY 329 N 1.32 0.47 0.18 -0.72 0.00 -0.51 -4.88 105.19 101.05 1wlr n GLY 329 Ca 0.13 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1wlr n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wlr h ILE 330 N 0.00 1.32 -2.55 -0.61 2.04 -1.24 -3.41 117.51 113.06 1wlr h ILE 330 Ca -0.00 -2.31 -0.58 0.00 1.00 0.00 0.00 64.86 62.97 1wlr h ILE 330 Cb 0.06 2.39 -0.10 0.00 -0.74 0.00 0.00 36.82 38.43 1wlr h ILE 330 CO 0.00 0.71 -0.64 -0.76 0.00 0.00 0.00 178.15 177.46 1wlr s LEU 331 N -7.99 3.30 -0.02 1.44 1.43 -0.84 -4.89 118.68 111.10 1wlr s LEU 331 Ca -0.08 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1wlr s LEU 331 Cb 0.08 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1wlr s LEU 331 CO 0.90 0.04 -0.00 -0.54 0.23 0.00 0.00 176.35 176.98 1wlr s LYS 332 N -3.32 0.24 0.00 1.70 1.02 -1.26 -4.17 119.74 113.95 1wlr s LYS 332 Ca 0.29 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1wlr s LYS 332 Cb -0.08 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 1wlr s LYS 332 CO 0.20 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 1wlr n GLY 333 N 3.90 0.92 3.75 -3.33 0.00 -1.26 -5.02 105.19 104.15 1wlr n GLY 333 Ca -0.24 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1wlr n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wlr s ASP 334 N -4.00 6.71 0.16 1.61 2.15 -1.26 -4.98 116.67 117.06 1wlr s ASP 334 Ca 0.00 0.85 -0.16 0.00 0.43 0.00 0.00 52.55 53.66 1wlr s ASP 334 Cb 0.00 -2.27 0.09 0.00 -0.30 0.00 0.00 42.92 40.44 1wlr s ASP 334 CO 0.00 0.09 1.69 0.58 -0.17 0.00 0.00 175.17 177.37 1wlr h VAL 335 N 4.43 0.69 -0.34 1.11 2.07 -1.97 0.26 116.25 122.49 1wlr h VAL 335 Ca -0.44 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 1wlr h VAL 335 Cb 1.19 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1wlr h VAL 335 CO 0.72 0.01 -0.29 0.44 0.02 0.00 0.00 177.57 178.48 1wlr h ASP 336 N 0.07 0.74 -0.33 0.57 3.32 -1.99 0.15 116.42 118.95 1wlr h ASP 336 Ca 0.19 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1wlr h ASP 336 Cb 0.27 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1wlr h ASP 336 CO -0.33 0.98 0.05 -0.33 -1.72 0.00 0.00 179.24 177.89 1wlr h GLU 337 N 0.62 0.56 -0.51 3.56 5.08 -1.83 -1.03 114.58 121.03 1wlr h GLU 337 Ca 0.08 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1wlr h GLU 337 Cb 0.80 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1wlr h GLU 337 CO 0.07 0.65 0.29 -0.07 -1.00 0.00 0.00 179.01 178.95 1wlr h LEU 338 N 0.39 0.46 -0.37 1.33 3.38 -0.07 -0.54 115.31 119.88 1wlr h LEU 338 Ca 0.10 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1wlr h LEU 338 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1wlr h LEU 338 CO 0.01 0.32 0.22 0.40 0.09 0.00 0.00 178.44 179.48 1wlr h ILE 339 N 0.58 1.04 -0.20 1.22 2.04 -0.66 -0.18 117.51 121.35 1wlr h ILE 339 Ca 0.21 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1wlr h ILE 339 Cb 0.05 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1wlr h ILE 339 CO -0.11 0.08 0.09 0.00 0.00 0.00 0.00 178.15 178.21 1wlr h ALA 340 N 1.16 1.78 -0.41 1.87 0.00 -0.64 0.49 119.26 123.51 1wlr h ALA 340 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wlr h ALA 340 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1wlr h ALA 340 CO -0.07 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1wlr n GLN 341 N -4.46 2.69 -4.10 0.00 10.64 -0.26 -4.93 117.38 116.96 1wlr n GLN 341 Ca -0.00 -1.80 -0.30 0.00 -1.83 0.00 0.00 57.00 53.08 1wlr n GLN 341 Cb 0.11 -1.64 -0.04 0.00 -0.86 0.00 0.00 30.24 27.82 1wlr n GLN 341 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1wlr n ASN 342 N 0.64 -1.06 0.10 2.61 3.02 0.16 -4.83 115.26 115.90 1wlr n ASN 342 Ca 0.16 -1.05 0.10 0.00 -0.03 0.00 0.00 54.58 53.76 1wlr n ASN 342 Cb 0.59 -2.73 0.43 0.00 -0.61 0.00 0.00 39.78 37.47 1wlr n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wlr n ALA 343 N -4.42 1.49 0.41 5.41 0.00 -0.13 -2.21 120.51 121.07 1wlr n ALA 343 Ca -0.19 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1wlr n ALA 343 Cb 0.63 -1.31 0.40 0.00 0.00 0.00 0.00 19.45 19.17 1wlr n ALA 343 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1wlr h HIS 344 N 0.00 0.00 -0.66 0.00 2.07 -1.88 -3.39 115.15 111.28 1wlr h HIS 344 Ca 0.00 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.56 1wlr h HIS 344 Cb 0.24 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.18 1wlr h HIS 344 CO 0.00 0.00 0.44 0.00 -3.07 0.00 0.00 177.93 175.30 1wlr h ARG 345 N 0.00 0.75 -0.20 5.12 2.47 -1.62 0.53 114.38 121.43 1wlr h ARG 345 Ca 0.00 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.73 1wlr h ARG 345 Cb 0.70 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1wlr h ARG 345 CO 0.00 0.49 0.15 -1.35 0.56 0.00 0.00 179.97 179.82 1wlr h PRO 346 N 0.77 0.00 0.00 0.04 0.11 -1.84 -3.18 132.00 127.90 1wlr h PRO 346 Ca 0.27 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.16 1wlr h PRO 346 Cb 0.11 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 1wlr h PRO 346 CO -0.08 0.00 -2.06 1.19 -0.21 0.00 0.00 178.00 176.84 1wlr n PHE 347 N -4.38 0.00 -3.66 0.65 3.72 -0.12 -4.76 117.46 108.91 1wlr n PHE 347 Ca 0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 1wlr n PHE 347 Cb 0.29 -0.71 -0.13 0.00 -0.94 0.00 0.00 39.48 37.98 1wlr n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1wlr s PHE 348 N -2.64 1.59 -1.37 1.38 5.36 -0.01 -0.84 117.98 121.45 1wlr s PHE 348 Ca -0.08 -2.03 0.15 0.00 -0.96 0.00 0.00 56.93 54.01 1wlr s PHE 348 Cb 0.07 -1.60 0.42 0.00 -0.34 0.00 0.00 43.02 41.57 1wlr s PHE 348 CO 0.70 -0.82 1.35 0.00 -1.46 0.00 0.00 175.22 174.99 1wlr n MET 349 N 4.03 2.73 -4.54 10.12 0.00 -1.21 -4.24 117.12 124.01 1wlr n MET 349 Ca 0.06 -2.25 -0.26 0.00 0.00 0.00 0.00 57.70 55.26 1wlr n MET 349 Cb 0.37 -1.38 -0.09 0.00 0.00 0.00 0.00 33.22 32.12 1wlr n MET 349 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1wlr s HIS 350 N -1.02 1.85 0.67 3.17 -3.43 -1.26 -5.12 115.29 110.15 1wlr s HIS 350 Ca 0.33 -1.16 -0.11 0.00 -0.80 0.00 0.00 55.06 53.32 1wlr s HIS 350 Cb 0.17 -1.26 -0.01 0.00 -1.43 0.00 0.00 32.58 30.05 1wlr s HIS 350 CO 0.23 -0.14 1.05 0.20 -2.00 0.00 0.00 174.74 174.07 1wlr s GLY 351 N -3.62 1.66 0.09 -1.38 0.00 -1.26 -5.00 107.32 97.80 1wlr s GLY 351 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 44.72 44.86 1wlr s GLY 351 CO 0.13 0.24 1.17 -2.00 0.00 0.00 0.00 173.10 172.64 1wlr h LEU 352 N -0.55 0.39 -7.49 0.66 5.85 -1.94 -3.46 115.31 108.77 1wlr h LEU 352 Ca -0.44 -0.41 -0.17 0.00 0.84 0.00 0.00 57.88 57.70 1wlr h LEU 352 Cb 1.21 -0.13 -0.26 0.00 0.37 0.00 0.00 40.66 41.86 1wlr h LEU 352 CO 0.60 1.31 -0.43 -0.44 -0.34 0.00 0.00 178.44 179.13 1wlr s SER 353 N -7.10 -0.25 0.10 1.25 0.01 -1.26 -0.63 113.70 105.82 1wlr s SER 353 Ca -0.04 0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.75 1wlr s SER 353 Cb 0.07 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 1wlr s SER 353 CO 0.88 -0.09 -0.11 -1.38 0.41 0.00 0.00 173.24 172.95 1wlr s HIS 354 N 0.11 1.16 0.77 2.43 -3.43 -1.25 -4.93 115.29 110.15 1wlr s HIS 354 Ca -0.00 -0.63 -0.14 0.00 -0.80 0.00 0.00 55.06 53.49 1wlr s HIS 354 Cb -0.02 -0.62 0.06 0.00 -1.43 0.00 0.00 32.58 30.57 1wlr s HIS 354 CO 0.00 0.04 1.20 -1.58 -2.00 0.00 0.00 174.74 172.40 1wlr s TRP 355 N -2.36 1.95 -0.01 0.38 0.23 -1.26 -0.74 118.94 117.13 1wlr s TRP 355 Ca 0.06 1.64 0.01 0.00 -2.03 0.00 0.00 56.10 55.78 1wlr s TRP 355 Cb -0.03 -3.45 0.01 0.00 0.03 0.00 0.00 33.47 30.02 1wlr s TRP 355 CO 0.01 -2.68 -0.01 -1.17 0.96 0.00 0.00 176.95 174.05 1wlr s LEU 356 N -5.48 1.80 0.00 2.99 2.96 -0.53 -0.82 118.68 119.60 1wlr s LEU 356 Ca 0.73 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1wlr s LEU 356 Cb -0.28 -0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.30 1wlr s LEU 356 CO 0.48 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 176.12 1wlr n GLY 357 N 3.29 0.07 0.25 7.98 0.00 -1.26 -4.61 105.19 110.91 1wlr n GLY 357 Ca -0.16 0.47 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1wlr n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wlr h LEU 358 N 0.00 0.00 -8.97 0.99 3.38 -1.94 0.36 115.31 109.13 1wlr h LEU 358 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1wlr h LEU 358 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 1wlr h LEU 358 CO 0.00 0.12 -0.80 -1.81 0.09 0.00 0.00 178.44 176.05 1wlr s ASP 359 N -5.98 3.87 0.16 -0.43 1.01 -1.26 -4.67 116.67 109.37 1wlr s ASP 359 Ca 0.00 -0.39 -0.16 0.00 0.71 0.00 0.00 52.55 52.72 1wlr s ASP 359 Cb 0.10 -0.66 0.03 0.00 1.01 0.00 0.00 42.92 43.40 1wlr s ASP 359 CO 0.59 0.26 1.82 1.62 0.21 0.00 0.00 175.17 179.68 1wlr h VAL 360 N 3.97 1.11 -3.00 -1.27 3.04 -1.84 -3.08 116.25 115.18 1wlr h VAL 360 Ca -0.47 -0.20 -0.74 0.00 -1.01 0.00 0.00 66.70 64.27 1wlr h VAL 360 Cb 1.15 0.47 -0.21 0.00 -2.01 0.00 0.00 31.29 30.69 1wlr h VAL 360 CO 0.48 0.11 0.58 -1.00 -1.01 0.00 0.00 177.57 176.73 1wlr s HIS 361 N -6.16 3.47 0.70 3.17 3.76 -1.26 -4.31 115.29 114.65 1wlr s HIS 361 Ca -0.13 -1.77 -0.11 0.00 -0.15 0.00 0.00 55.06 52.90 1wlr s HIS 361 Cb 0.11 -4.08 0.01 0.00 1.11 0.00 0.00 32.58 29.73 1wlr s HIS 361 CO 0.73 -1.26 1.08 0.34 -0.85 0.00 0.00 174.74 174.78 1wlr s ASP 362 N 2.86 5.50 0.74 1.40 2.15 -0.00 -4.98 116.67 124.34 1wlr s ASP 362 Ca 0.28 1.21 -0.11 0.00 0.43 0.00 0.00 52.55 54.36 1wlr s ASP 362 Cb -0.07 -2.05 0.03 0.00 -0.30 0.00 0.00 42.92 40.53 1wlr s ASP 362 CO -0.08 -1.31 1.07 0.68 -0.17 0.00 0.00 175.17 175.36 1wlr s VAL 363 N -3.30 3.64 0.00 1.11 -7.23 -1.26 -4.61 120.40 108.75 1wlr s VAL 363 Ca 0.58 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1wlr s VAL 363 Cb -0.11 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.58 1wlr s VAL 363 CO 0.52 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1wlr n GLY 364 N -1.94 3.93 3.71 2.32 0.00 -1.26 -4.50 105.19 107.44 1wlr n GLY 364 Ca 0.07 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1wlr n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wlr s VAL 365 N -1.86 4.70 -0.13 1.61 1.01 -1.26 -4.95 120.40 119.52 1wlr s VAL 365 Ca 0.00 1.96 0.17 0.00 0.00 0.00 0.00 61.98 64.11 1wlr s VAL 365 Cb 0.00 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 1wlr s VAL 365 CO 0.00 0.16 0.78 -1.22 0.00 0.00 0.00 175.10 174.82 1wlr n TYR 366 N 3.81 0.89 -0.03 5.22 4.01 -1.26 -4.92 117.16 124.88 1wlr n TYR 366 Ca 0.06 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1wlr n TYR 366 Cb 0.50 -1.05 -0.00 0.00 -0.31 0.00 0.00 39.34 38.48 1wlr n TYR 366 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wlr n GLY 367 N 1.40 -2.55 3.68 2.72 0.00 -1.26 -1.25 105.19 107.91 1wlr n GLY 367 Ca -0.10 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.01 1wlr n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wlr n GLN 368 N -2.10 2.29 -1.99 1.61 7.27 -1.26 -1.44 117.38 121.76 1wlr n GLN 368 Ca -0.00 0.83 -0.21 0.00 0.07 0.00 0.00 57.00 57.69 1wlr n GLN 368 Cb 0.01 -2.64 -0.05 0.00 2.41 0.00 0.00 30.24 29.97 1wlr n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1wlr n ASP 369 N 4.54 -5.72 -3.42 1.69 8.00 -1.26 -1.87 116.55 118.50 1wlr n ASP 369 Ca 0.18 0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.73 1wlr n ASP 369 Cb 0.31 -4.90 0.08 0.00 -0.02 0.00 0.00 41.12 36.59 1wlr n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wlr n ARG 370 N -2.69 -7.24 0.00 -1.24 1.74 -0.52 -4.24 116.66 102.46 1wlr n ARG 370 Ca -0.23 0.80 0.14 0.00 -0.77 0.00 0.00 57.85 57.79 1wlr n ARG 370 Cb 0.69 -5.73 0.55 0.00 -1.02 0.00 0.00 32.46 26.94 1wlr n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wlr n SER 371 N -2.89 0.60 -4.73 0.55 3.41 -0.78 -1.63 113.62 108.15 1wlr n SER 371 Ca -0.08 -0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 57.48 1wlr n SER 371 Cb 0.59 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1wlr n SER 371 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1wlr n ARG 372 N -0.90 2.53 -2.17 4.33 0.63 -0.38 -4.81 116.66 115.89 1wlr n ARG 372 Ca 0.14 0.90 -0.42 0.00 -0.92 0.00 0.00 57.85 57.54 1wlr n ARG 372 Cb 0.30 -2.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.55 1wlr n ARG 372 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1wlr s ILE 373 N -0.32 3.42 0.37 5.15 -1.09 -1.26 -4.38 121.20 123.09 1wlr s ILE 373 Ca 0.62 0.95 -0.25 0.00 -2.23 0.00 0.00 60.65 59.74 1wlr s ILE 373 Cb -0.52 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 36.65 1wlr s ILE 373 CO 0.53 0.04 1.06 -0.76 -1.23 0.00 0.00 174.94 174.58 1wlr s LEU 374 N 1.67 4.25 0.10 2.97 1.43 0.51 -4.84 118.68 124.77 1wlr s LEU 374 Ca 0.65 2.09 0.03 0.00 -1.03 0.00 0.00 54.13 55.87 1wlr s LEU 374 Cb -0.35 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 1wlr s LEU 374 CO 0.29 -0.39 -0.09 -1.61 0.23 0.00 0.00 176.35 174.78 1wlr s GLU 375 N -2.21 0.86 0.32 1.70 2.02 -1.26 -1.46 118.70 118.67 1wlr s GLU 375 Ca 0.54 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 1wlr s GLU 375 Cb -0.24 -0.47 -0.12 0.00 0.10 0.00 0.00 34.13 33.40 1wlr s GLU 375 CO 0.31 0.06 1.36 -2.30 0.02 0.00 0.00 175.26 174.71 1wlr n PRO 376 N 0.35 2.21 0.00 0.39 -0.02 -1.26 -2.76 135.00 133.91 1wlr n PRO 376 Ca -0.15 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1wlr n PRO 376 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1wlr n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wlr n GLY 377 N 1.19 1.28 3.77 -1.23 0.00 -0.36 -4.89 105.19 104.95 1wlr n GLY 377 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1wlr n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wlr s MET 378 N -0.76 4.64 -0.06 1.61 -1.94 -1.11 -0.66 119.30 121.02 1wlr s MET 378 Ca 0.00 1.38 0.04 0.00 -1.71 0.00 0.00 55.69 55.40 1wlr s MET 378 Cb 0.00 -2.92 0.00 0.00 2.01 0.00 0.00 34.83 33.92 1wlr s MET 378 CO 0.00 0.33 -0.17 0.08 -0.01 0.00 0.00 175.02 175.24 1wlr s VAL 379 N -1.50 1.48 0.09 -6.03 1.01 -1.26 -0.44 120.40 113.75 1wlr s VAL 379 Ca 0.48 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1wlr s VAL 379 Cb -0.21 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1wlr s VAL 379 CO 0.26 0.43 0.28 -1.48 0.00 0.00 0.00 175.10 174.59 1wlr s LEU 380 N 0.27 0.99 0.44 3.92 2.34 -0.47 -1.45 118.68 124.72 1wlr s LEU 380 Ca -0.10 -0.46 -0.06 0.00 0.06 0.00 0.00 54.13 53.57 1wlr s LEU 380 Cb -0.14 1.35 -0.04 0.00 -0.56 0.00 0.00 46.19 46.80 1wlr s LEU 380 CO 0.04 -0.75 0.75 0.42 -1.06 0.00 0.00 176.35 175.75 1wlr s THR 381 N -3.61 4.90 -0.19 5.48 -4.23 0.08 -0.93 115.64 117.15 1wlr s THR 381 Ca 0.02 0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1wlr s THR 381 Cb 0.03 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 70.11 1wlr s THR 381 CO -0.10 -0.70 0.02 -0.69 -0.54 0.00 0.00 174.62 172.61 1wlr s VAL 382 N -2.56 0.69 -0.39 2.29 1.01 -0.07 -3.88 120.40 117.49 1wlr s VAL 382 Ca 0.48 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.94 1wlr s VAL 382 Cb -0.10 -1.13 0.32 0.00 0.00 0.00 0.00 36.38 35.47 1wlr s VAL 382 CO 0.40 -0.15 0.75 -1.84 0.00 0.00 0.00 175.10 174.26 1wlr n GLU 383 N 4.99 0.92 -1.58 2.72 0.28 0.19 -1.58 120.64 126.59 1wlr n GLU 383 Ca -0.09 -3.08 -0.34 0.00 -0.16 0.00 0.00 57.16 53.48 1wlr n GLU 383 Cb 0.47 -1.52 0.07 0.00 1.43 0.00 0.00 31.44 31.89 1wlr n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wlr s PRO 384 N -1.71 2.42 0.17 3.44 0.04 -1.23 -4.79 135.00 133.33 1wlr s PRO 384 Ca 0.36 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1wlr s PRO 384 Cb 0.31 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 33.00 1wlr s PRO 384 CO -0.09 -1.59 0.51 0.20 0.04 0.00 0.00 177.00 176.07 1wlr s GLY 385 N -2.21 -0.26 -0.02 0.56 0.00 -1.26 -2.38 107.32 101.75 1wlr s GLY 385 Ca 0.72 -0.02 -0.00 0.00 0.00 0.00 0.00 44.72 45.42 1wlr s GLY 385 CO 0.43 -0.18 0.02 1.08 0.00 0.00 0.00 173.10 174.45 1wlr s LEU 386 N -2.83 1.04 -0.20 0.66 1.43 0.22 -4.50 118.68 114.51 1wlr s LEU 386 Ca 0.06 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1wlr s LEU 386 Cb -0.00 -0.12 0.05 0.00 0.03 0.00 0.00 46.19 46.15 1wlr s LEU 386 CO -0.08 -0.13 -0.02 -0.31 0.23 0.00 0.00 176.35 176.04 1wlr s TYR 387 N 1.13 1.70 -0.40 0.29 1.51 -0.02 -0.86 117.35 120.70 1wlr s TYR 387 Ca -0.08 -1.22 -0.10 0.00 -1.01 0.00 0.00 57.07 54.65 1wlr s TYR 387 Cb -0.13 -1.30 0.06 0.00 -0.11 0.00 0.00 41.96 40.48 1wlr s TYR 387 CO -0.03 -0.66 0.24 0.42 -1.11 0.00 0.00 175.55 174.41 1wlr s ILE 388 N 1.63 4.35 0.58 2.71 -1.09 0.89 -4.39 121.20 125.87 1wlr s ILE 388 Ca -0.02 -1.20 -0.20 0.00 -2.23 0.00 0.00 60.65 57.00 1wlr s ILE 388 Cb -0.17 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1wlr s ILE 388 CO -0.07 -0.40 1.33 0.00 -1.23 0.00 0.00 174.94 174.57 1wlr s ALA 389 N 1.47 2.67 0.67 9.38 0.00 -1.26 -0.55 121.76 134.14 1wlr s ALA 389 Ca 0.02 1.28 0.40 0.00 0.00 0.00 0.00 51.96 53.67 1wlr s ALA 389 Cb -0.22 -3.56 2.20 0.00 0.00 0.00 0.00 23.12 21.55 1wlr s ALA 389 CO 0.04 -1.44 2.24 -1.00 0.00 0.00 0.00 175.76 175.60 1wlr h PRO 390 N 1.15 0.00 -0.32 0.00 0.13 -1.92 -0.98 132.00 130.06 1wlr h PRO 390 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1wlr h PRO 390 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1wlr h PRO 390 CO 0.56 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 1wlr n ASP 391 N -3.03 3.32 -4.76 1.44 5.75 -1.26 -4.66 116.55 113.36 1wlr n ASP 391 Ca -0.03 -2.40 -0.39 0.00 -0.01 0.00 0.00 54.79 51.97 1wlr n ASP 391 Cb 0.16 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 39.92 1wlr n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wlr s ALA 392 N -1.71 2.97 -1.31 2.12 0.00 -0.37 -4.89 121.76 118.56 1wlr s ALA 392 Ca 0.31 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.42 1wlr s ALA 392 Cb 0.21 -3.54 0.11 0.00 0.00 0.00 0.00 23.12 19.90 1wlr s ALA 392 CO 0.13 -1.18 1.78 0.39 0.00 0.00 0.00 175.76 176.88 1wlr n GLU 393 N -0.67 3.25 -4.03 0.00 -0.58 -1.26 -4.87 120.64 112.47 1wlr n GLU 393 Ca 0.08 -3.34 -0.10 0.00 -0.42 0.00 0.00 57.16 53.39 1wlr n GLU 393 Cb 0.45 -3.23 -0.08 0.00 -0.57 0.00 0.00 31.44 28.01 1wlr n GLU 393 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1wlr s VAL 394 N 2.63 0.04 0.16 2.62 -7.23 -1.26 -5.04 120.40 112.33 1wlr s VAL 394 Ca 0.47 -1.57 -0.34 0.00 -1.81 0.00 0.00 61.98 58.74 1wlr s VAL 394 Cb 0.05 -2.07 -0.15 0.00 0.56 0.00 0.00 36.38 34.78 1wlr s VAL 394 CO 0.01 -0.19 1.45 -2.65 -0.31 0.00 0.00 175.10 173.41 1wlr n PRO 395 N -0.25 1.82 -0.21 4.82 -0.02 -1.26 -4.80 135.00 135.10 1wlr n PRO 395 Ca -0.04 0.65 0.19 0.00 -2.02 0.00 0.00 63.50 62.28 1wlr n PRO 395 Cb 0.63 -2.35 0.53 0.00 -0.02 0.00 0.00 33.50 32.30 1wlr n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wlr h GLU 396 N 5.03 0.36 0.00 -0.52 4.81 -1.99 -1.91 114.58 120.36 1wlr h GLU 396 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wlr h GLU 396 Cb 1.28 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1wlr h GLU 396 CO 0.82 0.24 0.00 -0.56 -0.73 0.00 0.00 179.01 178.78 1wlr h GLN 397 N 0.37 0.00 -0.00 1.92 -0.00 -2.02 -2.54 115.11 112.84 1wlr h GLN 397 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 1wlr h GLN 397 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.58 1wlr h GLN 397 CO -0.14 0.00 -0.58 0.66 -0.00 0.00 0.00 178.83 178.77 1wlr n TYR 398 N -2.34 0.00 -2.23 0.06 4.01 -0.72 -4.83 117.16 111.11 1wlr n TYR 398 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1wlr n TYR 398 Cb 0.17 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 1wlr n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wlr s ARG 399 N -2.94 4.43 -0.15 -0.72 0.52 -0.96 -2.86 118.95 116.27 1wlr s ARG 399 Ca 0.12 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 1wlr s ARG 399 Cb 0.17 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1wlr s ARG 399 CO 0.71 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.31 1wlr n GLY 400 N 1.54 0.51 3.63 -3.53 0.00 0.29 -4.81 105.19 102.82 1wlr n GLY 400 Ca 0.02 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1wlr n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wlr s ILE 401 N -1.99 5.17 -0.18 -0.61 1.01 -1.09 -3.45 121.20 120.05 1wlr s ILE 401 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1wlr s ILE 401 Cb 0.00 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.77 1wlr s ILE 401 CO 0.00 0.18 -0.10 -0.83 0.00 0.00 0.00 174.94 174.19 1wlr s GLY 402 N 1.37 1.17 -0.08 6.18 0.00 -1.26 -0.08 107.32 114.62 1wlr s GLY 402 Ca 0.18 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.87 1wlr s GLY 402 CO 0.09 0.71 -0.14 -0.42 0.00 0.00 0.00 173.10 173.34 1wlr s ILE 403 N 1.47 1.30 0.00 0.90 1.01 -0.04 -4.70 121.20 121.14 1wlr s ILE 403 Ca 0.01 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1wlr s ILE 403 Cb -0.15 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1wlr s ILE 403 CO -0.09 0.39 -0.03 -0.60 0.00 0.00 0.00 174.94 174.62 1wlr s ARG 404 N 0.69 0.25 -0.05 2.79 3.52 -1.26 -0.61 118.95 124.28 1wlr s ARG 404 Ca -0.14 -0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1wlr s ARG 404 Cb -0.16 -0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.08 1wlr s ARG 404 CO 0.04 0.04 0.00 0.42 -0.81 0.00 0.00 175.30 174.99 1wlr s ILE 405 N -0.33 0.28 -0.03 4.11 1.01 -1.00 -3.35 121.20 121.89 1wlr s ILE 405 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1wlr s ILE 405 Cb -0.03 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 42.04 1wlr s ILE 405 CO -0.00 0.22 -0.03 -0.70 0.00 0.00 0.00 174.94 174.43 1wlr s GLU 406 N 1.66 0.49 0.31 2.79 2.12 -0.14 -3.58 118.70 122.35 1wlr s GLU 406 Ca -0.00 -0.05 0.11 0.00 0.36 0.00 0.00 54.97 55.39 1wlr s GLU 406 Cb -0.13 -0.56 -0.06 0.00 0.26 0.00 0.00 34.13 33.65 1wlr s GLU 406 CO -0.03 -0.05 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.98 1wlr s ASP 407 N 0.66 3.64 -0.12 -1.70 1.01 -0.61 -2.80 116.67 116.76 1wlr s ASP 407 Ca -0.07 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.07 1wlr s ASP 407 Cb -0.11 -0.32 -0.02 0.00 1.01 0.00 0.00 42.92 43.48 1wlr s ASP 407 CO -0.01 -0.09 -0.12 -1.81 0.21 0.00 0.00 175.17 173.36 1wlr s ASP 408 N -3.56 4.14 0.13 0.27 1.01 -1.26 -0.89 116.67 116.51 1wlr s ASP 408 Ca 0.31 -0.27 0.06 0.00 0.71 0.00 0.00 52.55 53.36 1wlr s ASP 408 Cb -0.01 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.38 1wlr s ASP 408 CO 0.16 0.20 -0.14 0.27 0.21 0.00 0.00 175.17 175.87 1wlr s ILE 409 N 0.13 1.34 -0.12 0.77 -4.36 -0.11 -0.33 121.20 118.53 1wlr s ILE 409 Ca -0.06 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1wlr s ILE 409 Cb -0.15 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 41.97 1wlr s ILE 409 CO 0.04 -0.45 -0.15 0.54 0.24 0.00 0.00 174.94 175.16 1wlr s VAL 410 N -2.27 2.83 0.17 8.37 0.11 -0.29 -1.36 120.40 127.96 1wlr s VAL 410 Ca 0.10 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 1wlr s VAL 410 Cb -0.04 -2.17 -0.08 0.00 -1.53 0.00 0.00 36.38 32.56 1wlr s VAL 410 CO 0.03 0.53 1.28 -0.63 -3.33 0.00 0.00 175.10 172.98 1wlr s ILE 411 N 0.32 3.42 0.42 7.04 -1.09 0.42 -0.53 121.20 131.20 1wlr s ILE 411 Ca -0.12 1.13 0.03 0.00 -2.23 0.00 0.00 60.65 59.46 1wlr s ILE 411 Cb -0.16 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 1wlr s ILE 411 CO 0.06 0.15 0.08 0.42 -1.23 0.00 0.00 174.94 174.42 1wlr s THR 412 N 0.34 0.92 0.42 2.92 -4.23 -0.17 -1.22 115.64 114.61 1wlr s THR 412 Ca 0.57 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.27 1wlr s THR 412 Cb -0.35 -2.42 0.21 0.00 1.34 0.00 0.00 72.50 71.29 1wlr s THR 412 CO 0.35 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 176.10 1wlr h GLU 413 N 1.74 0.00 -0.19 3.99 4.39 -1.97 -2.91 114.58 119.63 1wlr h GLU 413 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1wlr h GLU 413 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1wlr h GLU 413 CO 0.65 0.19 0.00 0.25 -1.16 0.00 0.00 179.01 178.93 1wlr n THR 414 N -4.02 0.30 0.00 1.13 -2.24 -1.26 -4.84 114.28 103.34 1wlr n THR 414 Ca -0.02 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1wlr n THR 414 Cb 0.27 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1wlr n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wlr n GLY 415 N 1.13 0.19 3.16 3.38 0.00 -1.10 -5.03 105.19 106.92 1wlr n GLY 415 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1wlr n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlr s ASN 416 N -4.00 0.05 -0.12 1.61 2.20 -1.22 -1.00 114.94 112.45 1wlr s ASN 416 Ca 0.00 -0.35 -0.03 0.00 -0.94 0.00 0.00 52.86 51.53 1wlr s ASN 416 Cb 0.00 0.27 -0.03 0.00 -2.00 0.00 0.00 41.25 39.49 1wlr s ASN 416 CO 0.00 -0.52 0.01 -0.70 -2.94 0.00 0.00 177.10 172.95 1wlr s GLU 417 N -2.38 3.31 -0.34 3.55 2.12 0.31 -4.88 118.70 120.40 1wlr s GLU 417 Ca -0.07 -0.41 -0.18 0.00 0.36 0.00 0.00 54.97 54.67 1wlr s GLU 417 Cb -0.02 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 1wlr s GLU 417 CO -0.03 0.54 0.52 1.21 -0.54 0.00 0.00 175.26 176.96 1wlr s ASN 418 N -0.42 6.34 0.09 -1.70 3.84 -1.26 -1.14 114.94 120.68 1wlr s ASN 418 Ca 0.08 0.06 0.27 0.00 0.21 0.00 0.00 52.86 53.48 1wlr s ASN 418 Cb -0.12 -2.27 0.83 0.00 -0.55 0.00 0.00 41.25 39.13 1wlr s ASN 418 CO 0.02 -0.46 1.69 0.18 -2.79 0.00 0.00 177.10 175.74 1wlr n LEU 419 N 5.74 0.46 -0.12 3.21 4.77 0.55 -4.18 117.00 127.45 1wlr n LEU 419 Ca -0.04 0.40 0.03 0.00 -0.03 0.00 0.00 56.01 56.36 1wlr n LEU 419 Cb 0.49 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1wlr n LEU 419 CO 0.45 -0.05 0.43 0.35 -1.33 0.00 0.00 177.39 177.24 1wlr n THR 420 N -1.85 0.90 1.72 -5.08 -2.24 -1.25 -3.84 114.28 102.63 1wlr n THR 420 Ca 0.06 -1.01 0.14 0.00 -2.27 0.00 0.00 64.05 60.97 1wlr n THR 420 Cb 0.39 0.37 0.83 0.00 -2.10 0.00 0.00 70.33 69.81 1wlr n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wlr n ALA 421 N -0.60 2.54 1.43 6.98 0.00 -1.26 -3.12 120.51 126.47 1wlr n ALA 421 Ca 0.05 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1wlr n ALA 421 Cb 0.50 -1.46 0.73 0.00 0.00 0.00 0.00 19.45 19.22 1wlr n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wlr n SER 422 N -1.04 0.00 -4.58 0.00 3.41 -1.26 -4.54 113.62 105.61 1wlr n SER 422 Ca 0.20 -0.35 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 1wlr n SER 422 Cb 0.12 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 1wlr n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wlr s VAL 423 N -2.38 4.44 0.66 -3.33 0.11 -1.18 -4.89 120.40 113.83 1wlr s VAL 423 Ca 0.31 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 1wlr s VAL 423 Cb 0.18 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1wlr s VAL 423 CO 0.38 0.47 1.22 0.68 -3.33 0.00 0.00 175.10 174.53 1wlr s VAL 424 N 0.38 2.39 0.00 2.04 -7.23 -1.26 -4.98 120.40 111.73 1wlr s VAL 424 Ca 0.00 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1wlr s VAL 424 Cb -0.13 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1wlr s VAL 424 CO 0.01 -0.08 0.00 2.29 -0.31 0.00 0.00 175.10 177.02 1wlr n LYS 425 N -2.16 5.06 -1.83 4.82 2.85 -1.26 -4.88 118.16 120.76 1wlr n LYS 425 Ca 0.14 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.98 1wlr n LYS 425 Cb 0.50 -0.53 -0.02 0.00 -0.65 0.00 0.00 35.03 34.32 1wlr n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1wlr s LYS 426 N -0.23 4.16 0.32 -1.58 1.02 -1.26 -4.84 119.74 117.33 1wlr s LYS 426 Ca 0.00 2.51 0.00 0.00 0.02 0.00 0.00 55.97 58.50 1wlr s LYS 426 Cb 0.00 -3.06 0.52 0.00 -0.52 0.00 0.00 37.83 34.78 1wlr s LYS 426 CO 0.00 -0.60 1.95 -1.00 -0.92 0.00 0.00 175.35 174.78 1wlr h PRO 427 N 5.26 0.90 -0.13 -1.68 0.13 -1.99 0.34 132.00 134.82 1wlr h PRO 427 Ca -0.46 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 1wlr h PRO 427 Cb 1.22 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1wlr h PRO 427 CO 0.82 0.65 -0.27 1.05 -0.23 0.00 0.00 178.00 180.01 1wlr h GLU 428 N 0.91 0.25 0.01 0.86 9.09 -1.99 -0.47 114.58 123.24 1wlr h GLU 428 Ca 0.24 -0.09 -0.25 0.00 0.05 0.00 0.00 59.36 59.31 1wlr h GLU 428 Cb -0.00 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1wlr h GLU 428 CO -0.04 0.51 -1.01 0.93 0.05 0.00 0.00 179.01 179.44 1wlr h GLU 429 N 0.22 0.55 0.14 1.06 5.08 -1.51 -0.62 114.58 119.50 1wlr h GLU 429 Ca 0.03 -0.60 0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1wlr h GLU 429 Cb 0.60 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1wlr h GLU 429 CO 0.04 1.22 -0.16 0.82 -1.00 0.00 0.00 179.01 179.93 1wlr h ILE 430 N 0.30 0.63 -0.39 3.13 2.04 -0.85 -1.22 117.51 121.16 1wlr h ILE 430 Ca -0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1wlr h ILE 430 Cb 1.66 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1wlr h ILE 430 CO 0.19 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 178.16 1wlr h GLU 431 N -0.35 0.32 -0.74 2.37 5.08 -1.06 -1.07 114.58 119.14 1wlr h GLU 431 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wlr h GLU 431 Cb 0.34 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1wlr h GLU 431 CO -0.06 0.21 0.40 0.00 -1.00 0.00 0.00 179.01 178.57 1wlr h ALA 432 N 1.23 0.95 -0.28 3.43 0.00 -1.01 0.55 119.26 124.12 1wlr h ALA 432 Ca 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1wlr h ALA 432 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1wlr h ALA 432 CO -0.16 0.46 0.10 1.25 0.00 0.00 0.00 179.25 180.90 1wlr h LEU 433 N 1.02 0.12 -0.33 0.00 5.85 -0.81 -1.76 115.31 119.40 1wlr h LEU 433 Ca 0.26 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.82 1wlr h LEU 433 Cb 0.04 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1wlr h LEU 433 CO -0.04 0.10 -0.60 0.24 -0.34 0.00 0.00 178.44 177.81 1wlr h MET 434 N 0.23 0.78 -0.60 1.25 2.86 -0.81 -2.07 114.93 116.56 1wlr h MET 434 Ca 0.13 -0.52 0.06 0.00 -2.06 0.00 0.00 59.70 57.30 1wlr h MET 434 Cb 0.09 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1wlr h MET 434 CO -0.12 1.14 0.32 0.28 1.06 0.00 0.00 176.91 179.59 1wlr h VAL 435 N 0.58 0.94 -0.46 -2.22 2.07 -0.81 0.13 116.25 116.48 1wlr h VAL 435 Ca -0.00 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1wlr h VAL 435 Cb 1.19 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wlr h VAL 435 CO 0.13 0.11 0.18 0.00 0.02 0.00 0.00 177.57 178.01 1wlr h ALA 436 N 1.33 0.60 -0.30 1.67 0.00 -1.26 -2.49 119.26 118.82 1wlr h ALA 436 Ca 0.27 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1wlr h ALA 436 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wlr h ALA 436 CO -0.19 0.21 -0.34 0.00 0.00 0.00 0.00 179.25 178.94 1wlr h ALA 437 N 1.03 0.85 0.00 0.00 0.00 -0.92 -2.98 119.26 117.24 1wlr h ALA 437 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wlr h ALA 437 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wlr h ALA 437 CO -0.01 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.41 1wlr n ARG 438 N -4.06 0.23 0.01 0.00 1.74 0.42 -2.24 116.66 112.75 1wlr n ARG 438 Ca -0.01 0.39 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1wlr n ARG 438 Cb 0.49 -1.88 0.31 0.00 -1.02 0.00 0.00 32.46 30.36 1wlr n ARG 438 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wlr n LYS 439 N -2.30 0.05 0.00 5.56 5.02 -0.95 -5.07 118.16 120.47 1wlr n LYS 439 Ca 0.03 0.02 0.15 0.00 -2.02 0.00 0.00 58.31 56.49 1wlr n LYS 439 Cb 0.28 -1.54 0.78 0.00 -0.02 0.00 0.00 35.03 34.54 1wlr n LYS 439 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92