#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r55 h GLN 3 N 0.00 -0.50 0.00 -4.13 1.08 -2.03 0.90 115.11 110.44 2r55 h GLN 3 Ca 0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2r55 h GLN 3 Cb 0.00 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2r55 h GLN 3 CO 0.00 -0.33 0.30 0.66 -0.95 0.00 0.00 178.83 178.51 2r55 h SER 4 N -0.52 0.00 0.00 1.46 4.64 -2.04 0.31 113.55 117.40 2r55 h SER 4 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2r55 h SER 4 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2r55 h SER 4 CO -0.43 0.00 -1.03 1.15 -0.87 0.00 0.00 176.83 175.65 2r55 n MET 5 N -2.10 2.56 -0.23 4.77 0.00 -0.70 -3.46 117.12 117.96 2r55 n MET 5 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.73 2r55 n MET 5 Cb 0.32 -1.01 0.16 0.00 0.00 0.00 0.00 33.22 32.69 2r55 n MET 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2r55 h ALA 6 N 0.01 0.91 -0.22 3.17 0.00 -0.44 0.24 119.26 122.94 2r55 h ALA 6 Ca -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2r55 h ALA 6 Cb 1.02 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2r55 h ALA 6 CO -0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 179.25 178.68 2r55 h ALA 7 N 1.54 1.07 0.31 0.00 0.00 -0.61 -3.20 119.26 118.38 2r55 h ALA 7 Ca 0.38 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2r55 h ALA 7 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2r55 h ALA 7 CO -0.43 0.57 -0.15 0.37 0.00 0.00 0.00 179.25 179.62 2r55 h GLN 8 N 0.39 -0.40 0.00 0.00 4.15 -1.24 -0.66 115.11 117.35 2r55 h GLN 8 Ca 0.05 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 2r55 h GLN 8 Cb 0.72 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2r55 h GLN 8 CO 0.06 -0.08 -0.18 0.00 -1.93 0.00 0.00 178.83 176.70 2r55 h MET 9 N -0.93 0.00 -0.05 1.69 -0.00 -1.13 -0.92 114.93 113.59 2r55 h MET 9 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.46 2r55 h MET 9 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2r55 h MET 9 CO 0.07 0.18 -0.80 0.66 -0.00 0.00 0.00 176.91 177.02 2r55 h SER 10 N 0.00 0.45 -0.46 -0.10 4.64 -1.56 -2.89 113.55 113.62 2r55 h SER 10 Ca -0.00 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 2r55 h SER 10 Cb 0.50 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2r55 h SER 10 CO 0.02 1.08 0.19 -0.08 -0.87 0.00 0.00 176.83 177.17 2r55 h GLU 11 N 0.23 0.69 -1.01 4.77 4.57 0.17 -1.91 114.58 122.10 2r55 h GLU 11 Ca -0.04 -0.12 0.23 0.00 -1.18 0.00 0.00 59.36 58.25 2r55 h GLU 11 Cb 1.39 -0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 29.77 2r55 h GLU 11 CO 0.13 0.62 0.63 0.00 -1.18 0.00 0.00 179.01 179.22 2r55 h ALA 12 N 1.03 2.02 0.29 2.92 0.00 -1.27 -1.13 119.26 123.13 2r55 h ALA 12 Ca 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2r55 h ALA 12 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2r55 h ALA 12 CO -0.01 -0.41 -0.14 0.28 0.00 0.00 0.00 179.25 178.97 2r55 h VAL 13 N 0.52 0.73 -0.92 0.00 2.07 -1.13 -1.90 116.25 115.61 2r55 h VAL 13 Ca 0.58 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2r55 h VAL 13 Cb 1.26 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2r55 h VAL 13 CO -0.33 0.11 0.58 0.00 0.02 0.00 0.00 177.57 177.95 2r55 h ALA 14 N -0.14 1.29 -0.59 1.67 0.00 -1.31 -0.63 119.26 119.55 2r55 h ALA 14 Ca -0.04 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2r55 h ALA 14 Cb 0.49 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2r55 h ALA 14 CO 0.07 0.33 0.23 0.93 0.00 0.00 0.00 179.25 180.80 2r55 h GLU 15 N 1.04 0.41 -0.56 0.00 5.08 -1.04 0.34 114.58 119.85 2r55 h GLU 15 Ca 0.41 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.68 2r55 h GLU 15 Cb 0.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2r55 h GLU 15 CO -0.18 0.27 0.10 0.87 -1.00 0.00 0.00 179.01 179.07 2r55 h LYS 16 N 0.42 0.91 -0.51 2.33 1.57 -0.72 -2.07 116.57 118.50 2r55 h LYS 16 Ca 0.29 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2r55 h LYS 16 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2r55 h LYS 16 CO -0.28 0.87 0.31 0.52 -0.57 0.00 0.00 179.45 180.30 2r55 h MET 17 N 0.80 0.61 -0.87 3.15 2.86 -0.52 0.64 114.93 121.61 2r55 h MET 17 Ca 0.17 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 2r55 h MET 17 Cb 0.39 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 2r55 h MET 17 CO 0.01 0.40 0.53 1.25 1.06 0.00 0.00 176.91 180.16 2r55 h LEU 18 N 0.63 0.81 -0.60 1.22 5.85 -0.05 -1.37 115.31 121.80 2r55 h LEU 18 Ca 0.20 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 2r55 h LEU 18 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2r55 h LEU 18 CO -0.08 0.50 -0.31 -0.61 -0.34 0.00 0.00 178.44 177.60 2r55 h GLN 19 N 0.94 0.77 0.00 1.25 5.75 -0.66 -2.28 115.11 120.89 2r55 h GLN 19 Ca 0.39 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2r55 h GLN 19 Cb 0.24 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 2r55 h GLN 19 CO -0.20 0.98 -0.04 1.88 -2.65 0.00 0.00 178.83 178.80 2r55 h TYR 20 N 0.65 0.00 0.09 3.99 0.05 -0.11 -0.10 116.97 121.53 2r55 h TYR 20 Ca 0.07 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.60 2r55 h TYR 20 Cb 0.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2r55 h TYR 20 CO 0.04 0.04 -1.13 -0.09 -1.05 0.00 0.00 178.16 175.97 2r55 h ARG 21 N 0.00 0.29 0.14 4.88 9.65 -0.73 -3.33 114.38 125.29 2r55 h ARG 21 Ca -0.00 -0.43 -0.32 0.00 -1.10 0.00 0.00 59.98 58.13 2r55 h ARG 21 Cb 0.07 0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2r55 h ARG 21 CO 0.01 1.17 -1.61 0.00 2.80 0.00 0.00 179.97 182.33 2r55 h ARG 22 N 0.11 0.30 -6.80 0.20 3.08 -1.14 -3.47 114.38 106.67 2r55 h ARG 22 Ca -0.11 -0.51 -0.55 0.00 0.07 0.00 0.00 59.98 58.87 2r55 h ARG 22 Cb 1.83 0.19 0.10 0.00 0.08 0.00 0.00 29.97 32.18 2r55 h ARG 22 CO 0.19 1.18 0.68 -0.25 -1.07 0.00 0.00 179.97 180.70 2r55 n ASP 23 N -3.50 3.32 -0.21 7.04 8.00 -0.08 -4.89 116.55 126.23 2r55 n ASP 23 Ca -0.19 1.20 0.03 0.00 0.71 0.00 0.00 54.79 56.54 2r55 n ASP 23 Cb 1.06 -1.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.62 2r55 n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2r55 n THR 24 N 0.88 0.00 -3.09 -3.53 -2.24 -1.26 -4.98 114.28 100.06 2r55 n THR 24 Ca 0.05 -0.46 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 2r55 n THR 24 Cb 0.37 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 2r55 n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2r55 s ALA 25 N -0.83 3.77 0.00 6.98 0.00 -1.26 -4.30 121.76 126.11 2r55 s ALA 25 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2r55 s ALA 25 Cb 0.06 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2r55 s ALA 25 CO 0.13 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2r55 n GLY 26 N -1.99 1.11 3.47 0.00 0.00 -1.26 -4.95 105.19 101.58 2r55 n GLY 26 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2r55 n GLY 26 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2r55 n TRP 27 N 0.00 1.66 -4.31 1.61 7.02 -1.26 -4.75 117.44 117.41 2r55 n TRP 27 Ca 0.00 0.31 -0.34 0.00 -1.02 0.00 0.00 57.50 56.45 2r55 n TRP 27 Cb 0.00 -2.52 -0.13 0.00 -2.42 0.00 0.00 31.31 26.24 2r55 n TRP 27 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2r55 s LYS 28 N 5.86 3.57 0.26 -0.99 -0.14 0.01 -4.91 119.74 123.40 2r55 s LYS 28 Ca 1.08 -0.56 -0.30 0.00 -1.36 0.00 0.00 55.97 54.83 2r55 s LYS 28 Cb -0.90 -2.92 -0.10 0.00 -1.68 0.00 0.00 37.83 32.23 2r55 s LYS 28 CO 0.51 0.12 1.35 -1.50 -0.76 0.00 0.00 175.35 175.07 2r55 s ILE 29 N 0.68 2.87 -0.03 2.17 1.10 -1.26 -1.46 121.20 125.26 2r55 s ILE 29 Ca -0.02 0.77 -0.02 0.00 -0.51 0.00 0.00 60.65 60.86 2r55 s ILE 29 Cb -0.15 -3.49 -0.01 0.00 0.15 0.00 0.00 42.46 38.97 2r55 s ILE 29 CO 0.02 0.14 -0.04 0.00 -2.11 0.00 0.00 174.94 172.95 2r55 s ARG 31 N -1.30 1.95 0.00 0.00 1.70 -1.16 -5.05 118.95 115.09 2r55 s ARG 31 Ca -0.04 -1.75 0.00 0.00 -0.47 0.00 0.00 55.73 53.47 2r55 s ARG 31 Cb 0.01 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 2r55 s ARG 31 CO 0.05 -0.82 0.00 -1.91 -1.08 0.00 0.00 175.30 171.54 2r55 n GLU 32 N -0.57 0.00 0.00 3.89 2.13 -1.26 -2.44 120.64 122.39 2r55 n GLU 32 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2r55 n GLU 32 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 2r55 n GLU 32 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2r55 n GLY 33 N 0.00 0.07 3.63 8.31 0.00 -1.24 -4.89 105.19 111.07 2r55 n GLY 33 Ca 0.00 -2.04 -0.45 0.00 0.00 0.00 0.00 46.02 43.53 2r55 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2r55 n ASN 34 N 0.00 3.59 0.00 1.61 3.02 -1.26 -3.81 115.26 118.42 2r55 n ASN 34 Ca 0.00 0.69 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 2r55 n ASN 34 Cb 0.00 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 2r55 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r55 n GLY 35 N 5.01 1.22 4.01 7.41 0.00 -1.26 -4.90 105.19 116.68 2r55 n GLY 35 Ca 0.25 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2r55 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r55 s VAL 36 N 0.00 2.79 -0.27 1.61 1.01 -1.25 -4.26 120.40 120.03 2r55 s VAL 36 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 2r55 s VAL 36 Cb 0.00 -2.81 0.10 0.00 0.00 0.00 0.00 36.38 33.67 2r55 s VAL 36 CO 0.00 0.00 0.62 -0.94 0.00 0.00 0.00 175.10 174.78 2r55 s SER 37 N -4.43 -0.93 -0.01 3.32 1.04 -0.75 -3.71 113.70 108.23 2r55 s SER 37 Ca 0.57 1.44 0.06 0.00 0.48 0.00 0.00 55.95 58.50 2r55 s SER 37 Cb -0.09 1.73 -0.02 0.00 0.10 0.00 0.00 66.02 67.74 2r55 s SER 37 CO 0.35 -0.23 -0.21 0.68 0.98 0.00 0.00 173.24 174.81 2r55 s VAL 38 N 2.27 1.65 0.23 5.02 -7.23 -1.02 -1.53 120.40 119.79 2r55 s VAL 38 Ca -0.07 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2r55 s VAL 38 Cb -0.09 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2r55 s VAL 38 CO -0.18 0.45 0.15 -0.94 -0.31 0.00 0.00 175.10 174.27 2r55 s SER 39 N -0.53 0.50 0.21 4.85 1.04 -0.69 -1.19 113.70 117.90 2r55 s SER 39 Ca 0.08 -1.45 -0.00 0.00 0.48 0.00 0.00 55.95 55.06 2r55 s SER 39 Cb -0.08 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2r55 s SER 39 CO -0.01 -0.87 0.15 -1.66 0.98 0.00 0.00 173.24 171.84 2r55 s TRP 40 N -4.01 1.21 0.12 5.02 1.48 -0.53 -0.94 118.94 121.29 2r55 s TRP 40 Ca 0.39 -1.40 -0.24 0.00 -1.06 0.00 0.00 56.10 53.78 2r55 s TRP 40 Cb 0.06 -0.57 0.08 0.00 -1.16 0.00 0.00 33.47 31.88 2r55 s TRP 40 CO 0.15 -0.67 0.68 -0.98 -4.06 0.00 0.00 176.95 172.06 2r55 s ARG 41 N -4.08 1.17 0.20 3.25 1.70 -0.43 -0.81 118.95 119.95 2r55 s ARG 41 Ca 0.39 -0.43 -0.32 0.00 -0.47 0.00 0.00 55.73 54.89 2r55 s ARG 41 Cb 0.06 0.54 -0.12 0.00 -0.57 0.00 0.00 34.95 34.85 2r55 s ARG 41 CO 0.14 -0.51 1.67 -2.30 -1.08 0.00 0.00 175.30 173.22 2r55 n PRO 42 N -0.35 2.61 -2.24 3.89 -0.02 -1.26 -0.39 135.00 137.23 2r55 n PRO 42 Ca -0.15 0.94 -0.36 0.00 -2.02 0.00 0.00 63.50 61.91 2r55 n PRO 42 Cb 0.64 -2.76 -0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2r55 n PRO 42 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2r55 s SER 43 N 1.04 5.99 0.00 2.55 0.15 -0.61 -4.66 113.70 118.16 2r55 s SER 43 Ca 0.75 2.28 0.24 0.00 0.70 0.00 0.00 55.95 59.92 2r55 s SER 43 Cb -0.55 -2.60 0.33 0.00 -1.71 0.00 0.00 66.02 61.49 2r55 s SER 43 CO 0.35 -1.04 1.30 1.33 1.20 0.00 0.00 173.24 176.38 2r55 n VAL 44 N -0.78 0.00 0.08 4.45 0.24 -1.26 -4.43 118.33 116.63 2r55 n VAL 44 Ca 0.09 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.34 62.16 2r55 n VAL 44 Cb 0.49 0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 33.73 2r55 n VAL 44 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2r55 h GLU 45 N 2.08 0.00 -2.55 7.34 4.39 -1.94 -3.49 114.58 120.41 2r55 h GLU 45 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 2r55 h GLU 45 Cb 0.66 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.21 2r55 h GLU 45 CO 0.00 0.54 0.40 -0.59 -1.16 0.00 0.00 179.01 178.20 2r55 s PHE 46 N -2.87 -0.26 0.33 4.33 -0.71 -1.26 -5.06 117.98 112.47 2r55 s PHE 46 Ca 0.01 -0.01 0.11 0.00 -1.04 0.00 0.00 56.93 56.00 2r55 s PHE 46 Cb 0.08 0.61 0.98 0.00 -1.21 0.00 0.00 43.02 43.49 2r55 s PHE 46 CO 0.79 -0.83 1.67 -1.35 -1.34 0.00 0.00 175.22 174.15 2r55 h PRO 47 N 2.00 0.33 0.00 1.99 0.11 -1.94 -3.41 132.00 131.08 2r55 h PRO 47 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2r55 h PRO 47 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2r55 h PRO 47 CO 0.28 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 2r55 n GLY 48 N -1.31 -1.11 3.58 -0.55 0.00 -1.26 -4.73 105.19 99.81 2r55 n GLY 48 Ca 0.29 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 2r55 n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r55 s ASN 49 N -1.49 3.92 -0.09 1.61 0.01 -1.26 -1.57 114.94 116.08 2r55 s ASN 49 Ca 0.00 -1.11 0.02 0.00 -0.71 0.00 0.00 52.86 51.06 2r55 s ASN 49 Cb 0.00 -0.43 -0.02 0.00 0.41 0.00 0.00 41.25 41.21 2r55 s ASN 49 CO 0.00 -0.21 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.03 2r55 s LEU 50 N -3.65 2.79 -0.05 0.60 2.96 0.47 -4.45 118.68 117.35 2r55 s LEU 50 Ca 0.33 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2r55 s LEU 50 Cb 0.01 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2r55 s LEU 50 CO 0.18 0.27 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.02 2r55 s TYR 51 N -0.27 2.70 -0.14 5.38 1.51 0.06 -1.31 117.35 125.28 2r55 s TYR 51 Ca 0.02 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2r55 s TYR 51 Cb -0.13 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 2r55 s TYR 51 CO 0.03 0.19 -0.11 0.50 -1.11 0.00 0.00 175.55 175.04 2r55 s ARG 52 N -0.73 1.95 -0.12 -0.62 3.52 -0.12 -1.35 118.95 121.49 2r55 s ARG 52 Ca 0.11 -0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 2r55 s ARG 52 Cb -0.11 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.35 2r55 s ARG 52 CO 0.00 -0.26 0.00 0.20 -0.81 0.00 0.00 175.30 174.44 2r55 s GLY 53 N 1.58 1.83 -0.01 8.12 0.00 0.11 -1.70 107.32 117.24 2r55 s GLY 53 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2r55 s GLY 53 CO -0.10 -0.33 -0.07 1.85 0.00 0.00 0.00 173.10 174.45 2r55 s GLU 54 N -0.35 0.63 0.00 2.90 2.12 -0.58 -0.91 118.70 122.51 2r55 s GLU 54 Ca 0.07 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.17 2r55 s GLU 54 Cb -0.12 -0.62 0.00 0.00 0.26 0.00 0.00 34.13 33.65 2r55 s GLU 54 CO 0.02 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 2r55 n GLY 55 N 3.11 0.92 3.66 -1.50 0.00 -0.95 -1.81 105.19 108.61 2r55 n GLY 55 Ca -0.15 0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2r55 n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r55 s ILE 56 N 0.00 3.88 -0.15 -0.61 1.01 -1.26 -1.79 121.20 122.27 2r55 s ILE 56 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 2r55 s ILE 56 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 2r55 s ILE 56 CO 0.00 -0.13 0.25 0.54 0.00 0.00 0.00 174.94 175.60 2r55 s VAL 57 N 4.00 5.33 -1.31 2.92 0.11 0.94 -4.97 120.40 127.42 2r55 s VAL 57 Ca 0.66 0.47 -0.13 0.00 -2.93 0.00 0.00 61.98 60.05 2r55 s VAL 57 Cb -0.27 -3.58 0.12 0.00 -1.53 0.00 0.00 36.38 31.12 2r55 s VAL 57 CO 0.24 0.44 1.85 -1.22 -3.33 0.00 0.00 175.10 173.08 2r55 n TYR 58 N 3.27 3.74 -3.48 1.54 0.53 -1.26 -1.93 117.16 119.58 2r55 n TYR 58 Ca -0.14 -2.96 -0.11 0.00 -1.02 0.00 0.00 57.90 53.67 2r55 n TYR 58 Cb 0.52 -2.24 -0.02 0.00 -1.03 0.00 0.00 39.34 36.57 2r55 n TYR 58 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 2r55 s GLY 59 N 2.29 -0.54 0.58 2.72 0.00 -1.26 -4.83 107.32 106.28 2r55 s GLY 59 Ca 0.44 0.38 -0.20 0.00 0.00 0.00 0.00 44.72 45.34 2r55 s GLY 59 CO -0.01 0.10 1.29 -0.51 0.00 0.00 0.00 173.10 173.97 2r55 s THR 60 N -3.77 2.28 0.41 0.90 -4.23 -1.26 -3.33 115.64 106.63 2r55 s THR 60 Ca 0.02 0.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.86 2r55 s THR 60 Cb -0.01 -3.09 0.35 0.00 1.34 0.00 0.00 72.50 71.09 2r55 s THR 60 CO -0.11 -0.02 1.91 0.25 -0.54 0.00 0.00 174.62 176.11 2r55 h LEU 61 N 1.09 0.46 0.00 4.79 5.85 -1.93 -1.73 115.31 123.84 2r55 h LEU 61 Ca -0.51 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2r55 h LEU 61 Cb 1.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2r55 h LEU 61 CO 0.56 0.24 -0.68 -0.62 -0.34 0.00 0.00 178.44 177.60 2r55 n GLU 62 N -4.50 0.14 -0.03 1.25 1.02 -1.26 -2.29 120.64 114.97 2r55 n GLU 62 Ca 0.15 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 2r55 n GLU 62 Cb 0.51 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 2r55 n GLU 62 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2r55 h GLU 63 N 0.00 0.18 -0.25 3.49 5.08 -1.70 -2.12 114.58 119.27 2r55 h GLU 63 Ca 0.00 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2r55 h GLU 63 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2r55 h GLU 63 CO 0.00 0.75 -0.18 -0.39 -1.00 0.00 0.00 179.01 178.18 2r55 h VAL 64 N -0.35 1.24 -0.11 3.13 -1.51 -1.49 -2.59 116.25 114.56 2r55 h VAL 64 Ca -0.00 -1.10 -0.09 0.00 -1.23 0.00 0.00 66.70 64.28 2r55 h VAL 64 Cb 0.76 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2r55 h VAL 64 CO 0.03 0.35 -0.27 -0.25 -1.23 0.00 0.00 177.57 176.20 2r55 h TRP 65 N 0.40 0.49 -1.00 5.19 2.91 -1.55 -2.92 115.95 119.47 2r55 h TRP 65 Ca 0.07 -0.18 0.28 0.00 1.13 0.00 0.00 58.89 60.18 2r55 h TRP 65 Cb 0.55 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.06 2r55 h TRP 65 CO 0.02 0.88 0.70 -0.44 -1.03 0.00 0.00 178.44 178.57 2r55 h ASP 66 N -0.05 0.12 -0.18 2.65 3.32 -1.13 0.52 116.42 121.67 2r55 h ASP 66 Ca -0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2r55 h ASP 66 Cb 0.87 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 2r55 h ASP 66 CO 0.06 0.03 -0.18 0.00 -1.72 0.00 0.00 179.24 177.43 2r55 n VAL 68 N -4.48 0.00 -1.59 0.00 0.24 -0.41 -3.40 118.33 108.69 2r55 n VAL 68 Ca -0.06 -0.27 -0.48 0.00 -2.04 0.00 0.00 64.34 61.49 2r55 n VAL 68 Cb 0.39 0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 33.19 2r55 n VAL 68 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2r55 n LYS 69 N -1.88 1.27 -2.76 7.34 4.81 0.17 -4.97 118.16 122.14 2r55 n LYS 69 Ca -0.00 0.45 -0.42 0.00 -0.87 0.00 0.00 58.31 57.46 2r55 n LYS 69 Cb 0.44 -1.95 -0.03 0.00 0.02 0.00 0.00 35.03 33.51 2r55 n LYS 69 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2r55 s PRO 70 N -0.50 4.25 0.09 1.64 0.02 -1.26 -4.65 135.00 134.59 2r55 s PRO 70 Ca 0.71 1.19 0.03 0.00 0.02 0.00 0.00 61.00 62.95 2r55 s PRO 70 Cb -0.82 -3.63 -0.24 0.00 0.02 0.00 0.00 34.50 29.84 2r55 s PRO 70 CO 0.53 -0.54 1.17 0.78 -0.33 0.00 0.00 177.00 178.60 2r55 h GLY 73 N 9.16 0.12 0.00 0.52 0.00 -2.01 -3.49 103.07 107.37 2r55 h GLY 73 Ca -0.22 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2r55 h GLY 73 CO 0.92 0.28 0.00 0.61 0.00 0.00 0.00 176.54 178.35 2r55 n GLY 74 N 1.44 0.50 0.03 4.60 0.00 -1.26 -4.87 105.19 105.63 2r55 n GLY 74 Ca -0.05 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 2r55 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r55 n LEU 75 N 0.00 0.00 -0.13 0.99 4.77 -1.26 -4.78 117.00 116.59 2r55 n LEU 75 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2r55 n LEU 75 Cb 0.00 0.17 0.50 0.00 -2.33 0.00 0.00 43.42 41.76 2r55 n LEU 75 CO 0.00 0.17 1.20 -0.09 -1.33 0.00 0.00 177.39 177.34 2r55 h ARG 76 N 0.00 0.40 -0.99 3.23 2.43 -1.84 -1.73 114.38 115.88 2r55 h ARG 76 Ca -0.18 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.14 2r55 h ARG 76 Cb 1.36 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.72 2r55 h ARG 76 CO 0.01 0.26 0.62 0.28 -1.51 0.00 0.00 179.97 179.63 2r55 h VAL 77 N 0.41 0.75 0.00 0.20 2.07 -1.86 -2.92 116.25 114.90 2r55 h VAL 77 Ca 0.33 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2r55 h VAL 77 Cb 0.72 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2r55 h VAL 77 CO -0.10 0.14 0.00 1.17 0.02 0.00 0.00 177.57 178.80 2r55 n LYS 78 N -4.71 0.00 0.15 1.57 3.00 -0.65 -4.45 118.16 113.07 2r55 n LYS 78 Ca 0.22 0.35 0.07 0.00 -0.00 0.00 0.00 58.31 58.95 2r55 n LYS 78 Cb 0.54 -1.23 0.06 0.00 0.00 0.00 0.00 35.03 34.40 2r55 n LYS 78 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 2r55 h TRP 79 N 0.00 0.00 -3.27 5.64 5.08 -1.69 -3.43 115.95 118.28 2r55 h TRP 79 Ca 0.00 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.35 2r55 h TRP 79 Cb 0.00 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.03 2r55 h TRP 79 CO 0.12 0.26 0.48 0.34 -1.28 0.00 0.00 178.44 178.36 2r55 s ASP 80 N -6.13 6.34 0.66 0.11 2.15 -1.10 -4.78 116.67 113.92 2r55 s ASP 80 Ca 0.04 -0.37 0.28 0.00 0.43 0.00 0.00 52.55 52.92 2r55 s ASP 80 Cb 0.07 -2.41 1.50 0.00 -0.30 0.00 0.00 42.92 41.78 2r55 s ASP 80 CO 0.73 -1.15 1.85 1.05 -0.17 0.00 0.00 175.17 177.49 2r55 h GLU 81 N 9.23 0.00 -0.64 4.34 4.11 -1.90 -1.25 114.58 128.47 2r55 h GLU 81 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2r55 h GLU 81 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2r55 h GLU 81 CO 1.06 0.00 0.00 0.09 0.07 0.00 0.00 179.01 180.23 2r55 n ASN 82 N -2.95 4.23 -3.71 3.06 3.02 -1.26 -4.71 115.26 112.93 2r55 n ASN 82 Ca -0.01 -2.49 -0.18 0.00 -0.03 0.00 0.00 54.58 51.88 2r55 n ASN 82 Cb 0.46 -0.56 -0.17 0.00 -0.61 0.00 0.00 39.78 38.89 2r55 n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2r55 s VAL 83 N -2.00 -0.09 -0.07 2.41 1.01 -0.47 -4.19 120.40 117.00 2r55 s VAL 83 Ca 0.42 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.78 2r55 s VAL 83 Cb 0.29 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.47 2r55 s VAL 83 CO 0.17 0.14 0.00 0.35 0.00 0.00 0.00 175.10 175.76 2r55 n THR 84 N 4.82 0.43 -3.74 3.92 -2.24 0.32 -4.76 114.28 113.03 2r55 n THR 84 Ca -0.14 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 2r55 n THR 84 Cb 0.50 -0.82 -0.18 0.00 -2.10 0.00 0.00 70.33 67.73 2r55 n THR 84 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2r55 s GLY 85 N -3.98 0.29 -0.15 3.38 0.00 -1.14 -4.94 107.32 100.77 2r55 s GLY 85 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2r55 s GLY 85 CO 0.24 1.18 -0.14 -0.12 0.00 0.00 0.00 173.10 174.26 2r55 s PHE 86 N 1.91 2.13 -0.06 1.90 5.36 -1.26 0.77 117.98 128.74 2r55 s PHE 86 Ca 0.02 -1.19 0.03 0.00 -0.96 0.00 0.00 56.93 54.84 2r55 s PHE 86 Cb -0.12 -1.57 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 2r55 s PHE 86 CO -0.04 -0.66 -0.16 -1.21 -1.46 0.00 0.00 175.22 171.70 2r55 s GLU 87 N 1.49 1.85 -0.35 10.12 2.02 -0.46 -4.92 118.70 128.46 2r55 s GLU 87 Ca 0.05 -0.55 -0.20 0.00 0.02 0.00 0.00 54.97 54.28 2r55 s GLU 87 Cb -0.13 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.55 2r55 s GLU 87 CO -0.10 0.15 0.63 0.42 0.02 0.00 0.00 175.26 176.37 2r55 s ILE 88 N 0.31 4.90 -0.01 -1.63 -1.09 -1.26 -1.27 121.20 121.15 2r55 s ILE 88 Ca -0.09 0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 58.92 2r55 s ILE 88 Cb -0.14 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.68 2r55 s ILE 88 CO 0.03 -0.29 -0.01 0.40 -1.23 0.00 0.00 174.94 173.85 2r55 h ILE 89 N 5.66 0.00 -3.68 2.92 2.04 -0.55 -3.46 117.51 120.44 2r55 h ILE 89 Ca -0.26 -0.11 -0.65 0.00 1.00 0.00 0.00 64.86 64.84 2r55 h ILE 89 Cb 1.11 0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 36.80 2r55 h ILE 89 CO 0.83 0.00 -0.75 -1.58 0.00 0.00 0.00 178.15 176.65 2r55 s GLN 90 N -1.10 1.62 -1.02 2.37 0.74 -1.19 -4.98 119.66 116.11 2r55 s GLN 90 Ca -0.01 -1.58 -0.23 0.00 0.05 0.00 0.00 55.36 53.59 2r55 s GLN 90 Cb 0.00 -2.96 0.05 0.00 1.10 0.00 0.00 33.01 31.20 2r55 s GLN 90 CO 0.01 -0.82 1.47 0.45 -0.55 0.00 0.00 175.29 175.85 2r55 s SER 91 N 1.06 6.46 -0.00 6.67 0.15 -1.26 -2.00 113.70 124.78 2r55 s SER 91 Ca 0.04 -1.43 -0.03 0.00 0.70 0.00 0.00 55.95 55.23 2r55 s SER 91 Cb -0.19 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 2r55 s SER 91 CO -0.09 -1.55 0.57 0.40 1.20 0.00 0.00 173.24 173.77 2r55 h ILE 92 N 6.81 0.00 -0.90 6.45 2.04 -1.53 -3.47 117.51 126.91 2r55 h ILE 92 Ca 0.20 -0.07 -0.55 0.00 1.00 0.00 0.00 64.86 65.44 2r55 h ILE 92 Cb 1.01 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2r55 h ILE 92 CO 1.42 0.00 -0.31 -0.89 0.00 0.00 0.00 178.15 178.37 2r55 s THR 93 N -2.31 2.01 0.37 -0.27 2.01 0.22 -4.95 115.64 112.72 2r55 s THR 93 Ca -0.01 -1.41 0.17 0.00 0.31 0.00 0.00 61.69 60.75 2r55 s THR 93 Cb 0.00 -2.41 0.37 0.00 0.01 0.00 0.00 72.50 70.47 2r55 s THR 93 CO 0.04 0.00 1.70 -0.78 -0.69 0.00 0.00 174.62 174.89 2r55 h ASP 94 N 0.79 0.48 0.00 3.53 1.82 -2.03 -3.17 116.42 117.85 2r55 h ASP 94 Ca -0.37 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 2r55 h ASP 94 Cb 1.29 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2r55 h ASP 94 CO 0.56 -0.04 0.00 1.07 -1.61 0.00 0.00 179.24 179.22 2r55 n THR 95 N -4.84 0.18 -4.12 2.25 5.66 -1.26 -5.01 114.28 107.14 2r55 n THR 95 Ca 0.30 -0.49 -0.20 0.00 -3.05 0.00 0.00 64.05 60.60 2r55 n THR 95 Cb 0.99 1.06 -0.16 0.00 -1.55 0.00 0.00 70.33 70.67 2r55 n THR 95 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2r55 s LEU 96 N -0.18 1.25 0.18 1.09 2.96 -1.20 -1.68 118.68 121.10 2r55 s LEU 96 Ca 0.00 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 2r55 s LEU 96 Cb 0.00 -0.46 0.04 0.00 0.50 0.00 0.00 46.19 46.27 2r55 s LEU 96 CO 0.00 -0.07 0.52 0.00 -1.32 0.00 0.00 176.35 175.48 2r55 s VAL 98 N -3.84 3.45 0.10 0.00 1.01 -0.85 -1.02 120.40 119.25 2r55 s VAL 98 Ca 0.07 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2r55 s VAL 98 Cb -0.01 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2r55 s VAL 98 CO -0.06 0.46 -0.20 -0.94 0.00 0.00 0.00 175.10 174.37 2r55 s SER 99 N 0.92 2.44 -0.13 3.32 1.04 -0.25 0.27 113.70 121.31 2r55 s SER 99 Ca -0.01 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 2r55 s SER 99 Cb -0.15 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 2r55 s SER 99 CO 0.01 0.04 -0.08 -0.60 0.98 0.00 0.00 173.24 173.58 2r55 s ARG 100 N -1.94 3.39 -0.08 4.02 3.52 -0.40 -0.70 118.95 126.77 2r55 s ARG 100 Ca 0.06 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 2r55 s ARG 100 Cb -0.10 -2.73 0.01 0.00 -1.56 0.00 0.00 34.95 30.57 2r55 s ARG 100 CO 0.04 0.30 -0.18 0.99 -0.81 0.00 0.00 175.30 175.65 2r55 s THR 101 N 0.16 1.57 -0.18 4.11 2.01 -0.10 -1.35 115.64 121.85 2r55 s THR 101 Ca -0.04 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 2r55 s THR 101 Cb -0.14 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2r55 s THR 101 CO 0.04 0.45 -0.00 -0.44 -0.69 0.00 0.00 174.62 173.97 2r55 s SER 102 N 0.52 4.92 0.17 3.53 0.01 0.23 -1.24 113.70 121.83 2r55 s SER 102 Ca -0.17 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 56.99 2r55 s SER 102 Cb -0.17 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 2r55 s SER 102 CO 0.06 0.11 0.23 0.42 0.41 0.00 0.00 173.24 174.47 2r55 s THR 103 N 0.70 4.94 0.13 1.44 -4.23 -0.34 0.12 115.64 118.40 2r55 s THR 103 Ca -0.00 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2r55 s THR 103 Cb -0.14 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.17 2r55 s THR 103 CO 0.02 -0.13 0.18 -0.81 -0.54 0.00 0.00 174.62 173.34 2r55 n PRO 104 N -0.57 0.60 -1.11 3.99 -0.04 -1.26 -3.65 135.00 132.96 2r55 n PRO 104 Ca -0.08 -0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 62.52 2r55 n PRO 104 Cb 0.55 -0.10 0.11 0.00 -0.04 0.00 0.00 33.50 34.01 2r55 n PRO 104 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2r55 n SER 105 N -2.95 -0.11 -3.94 3.54 7.64 -1.26 -4.31 113.62 112.23 2r55 n SER 105 Ca 0.03 0.55 -0.09 0.00 1.01 0.00 0.00 58.87 60.37 2r55 n SER 105 Cb 0.11 -1.37 -0.05 0.00 -1.01 0.00 0.00 64.21 61.88 2r55 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r55 s ALA 106 N -2.09 -0.33 -1.18 -0.43 0.00 0.55 -4.93 121.76 113.35 2r55 s ALA 106 Ca 0.69 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 2r55 s ALA 106 Cb -0.30 0.99 0.04 0.00 0.00 0.00 0.00 23.12 23.85 2r55 s ALA 106 CO 0.55 -0.81 0.69 0.00 0.00 0.00 0.00 175.76 176.20 2r55 n ALA 107 N -0.34 -2.62 -3.07 0.00 0.00 -1.26 -1.28 120.51 111.94 2r55 n ALA 107 Ca -0.04 -0.53 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 2r55 n ALA 107 Cb 0.62 -2.68 0.04 0.00 0.00 0.00 0.00 19.45 17.44 2r55 n ALA 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2r55 n MET 108 N -4.80 -4.56 -1.00 0.00 2.81 -1.26 -1.79 117.12 106.52 2r55 n MET 108 Ca -0.12 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 2r55 n MET 108 Cb 0.57 -4.73 0.00 0.00 -0.71 0.00 0.00 33.22 28.35 2r55 n MET 108 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2r55 n LYS 109 N -3.26 -1.72 0.16 0.03 5.02 -0.97 -4.86 118.16 112.57 2r55 n LYS 109 Ca -0.02 0.43 0.01 0.00 -2.02 0.00 0.00 58.31 56.71 2r55 n LYS 109 Cb 0.55 -4.73 0.26 0.00 -0.02 0.00 0.00 35.03 31.10 2r55 n LYS 109 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2r55 h LEU 110 N 0.00 0.00 -8.00 -0.35 3.38 -0.97 -3.37 115.31 106.00 2r55 h LEU 110 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 2r55 h LEU 110 Cb 0.86 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.33 2r55 h LEU 110 CO 0.00 0.50 -0.37 -0.63 0.09 0.00 0.00 178.44 178.02 2r55 s ILE 111 N -3.79 4.38 0.79 1.22 1.01 -0.40 -5.01 121.20 119.41 2r55 s ILE 111 Ca -0.02 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 2r55 s ILE 111 Cb 0.13 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.82 2r55 s ILE 111 CO 0.74 -0.75 1.09 -0.94 0.00 0.00 0.00 174.94 175.08 2r55 s SER 112 N 2.73 4.34 0.22 3.58 1.04 -1.26 -0.33 113.70 124.03 2r55 s SER 112 Ca 0.05 1.76 -0.32 0.00 0.48 0.00 0.00 55.95 57.93 2r55 s SER 112 Cb -0.26 -2.46 -0.14 0.00 0.10 0.00 0.00 66.02 63.25 2r55 s SER 112 CO 0.00 -2.13 1.31 -2.65 0.98 0.00 0.00 173.24 170.75 2r55 n PRO 113 N -3.58 1.71 -4.36 4.02 -0.02 -1.26 -4.71 135.00 126.79 2r55 n PRO 113 Ca 0.09 0.61 -0.23 0.00 -2.02 0.00 0.00 63.50 61.94 2r55 n PRO 113 Cb 0.53 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 2r55 n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2r55 s ARG 114 N -0.47 2.05 0.04 -0.52 1.81 -1.24 -1.77 118.95 118.84 2r55 s ARG 114 Ca 0.69 -1.58 0.02 0.00 -1.72 0.00 0.00 55.73 53.14 2r55 s ARG 114 Cb -0.72 -1.99 -0.02 0.00 -0.45 0.00 0.00 34.95 31.76 2r55 s ARG 114 CO 0.51 0.33 -0.07 0.16 -0.68 0.00 0.00 175.30 175.55 2r55 s ASP 115 N -3.62 0.80 -0.02 0.23 -4.77 0.18 -1.20 116.67 108.28 2r55 s ASP 115 Ca 0.31 -0.52 0.04 0.00 -3.30 0.00 0.00 52.55 49.09 2r55 s ASP 115 Cb -0.05 0.03 -0.01 0.00 -1.09 0.00 0.00 42.92 41.80 2r55 s ASP 115 CO 0.18 -0.19 -0.15 -0.36 0.70 0.00 0.00 175.17 175.35 2r55 s PHE 116 N -1.30 1.37 -0.38 2.11 0.40 -0.38 -0.62 117.98 119.18 2r55 s PHE 116 Ca -0.10 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2r55 s PHE 116 Cb -0.09 -0.89 0.10 0.00 0.51 0.00 0.00 43.02 42.65 2r55 s PHE 116 CO 0.00 -0.04 0.14 0.08 0.70 0.00 0.00 175.22 176.10 2r55 s VAL 117 N -0.28 2.92 -0.01 -0.44 1.01 -1.26 -0.92 120.40 121.42 2r55 s VAL 117 Ca 0.04 -2.13 0.01 0.00 0.00 0.00 0.00 61.98 59.91 2r55 s VAL 117 Cb -0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2r55 s VAL 117 CO -0.00 -0.63 -0.01 -1.81 0.00 0.00 0.00 175.10 172.64 2r55 s ASP 118 N 1.48 5.03 -0.43 3.32 1.01 0.13 0.26 116.67 127.46 2r55 s ASP 118 Ca 0.09 -0.02 -0.25 0.00 0.71 0.00 0.00 52.55 53.08 2r55 s ASP 118 Cb -0.21 -1.30 0.02 0.00 1.01 0.00 0.00 42.92 42.44 2r55 s ASP 118 CO -0.05 0.29 0.90 -0.22 0.21 0.00 0.00 175.17 176.30 2r55 s LEU 119 N -1.44 4.04 -0.17 1.23 2.96 0.39 -1.09 118.68 124.60 2r55 s LEU 119 Ca 0.18 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 2r55 s LEU 119 Cb -0.11 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.41 2r55 s LEU 119 CO 0.09 -0.97 -0.17 0.54 -1.32 0.00 0.00 176.35 174.52 2r55 s VAL 120 N 3.60 2.38 -0.12 1.68 0.11 -0.19 -0.75 120.40 127.11 2r55 s VAL 120 Ca 0.36 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2r55 s VAL 120 Cb -0.11 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 2r55 s VAL 120 CO 0.24 0.52 -0.16 -0.22 -3.33 0.00 0.00 175.10 172.15 2r55 s LEU 121 N 1.10 2.55 -0.14 2.54 1.98 0.25 -1.90 118.68 125.06 2r55 s LEU 121 Ca 0.00 -0.39 -0.17 0.00 -2.89 0.00 0.00 54.13 50.68 2r55 s LEU 121 Cb -0.14 -1.56 -0.04 0.00 0.66 0.00 0.00 46.19 45.11 2r55 s LEU 121 CO -0.06 0.17 0.43 -0.69 -1.89 0.00 0.00 176.35 174.30 2r55 s VAL 122 N 0.34 5.21 -0.00 1.68 1.01 -0.67 -1.35 120.40 126.61 2r55 s VAL 122 Ca -0.13 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2r55 s VAL 122 Cb -0.16 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2r55 s VAL 122 CO 0.07 0.33 -0.05 -0.75 0.00 0.00 0.00 175.10 174.69 2r55 s LYS 123 N 0.69 0.39 -0.07 2.72 2.20 -1.07 -4.87 119.74 119.73 2r55 s LYS 123 Ca 0.23 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 2r55 s LYS 123 Cb -0.15 -0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 35.79 2r55 s LYS 123 CO 0.09 0.10 -0.15 1.03 -0.36 0.00 0.00 175.35 176.05 2r55 s ARG 124 N -0.20 2.76 0.47 4.03 0.52 -1.26 -1.59 118.95 123.67 2r55 s ARG 124 Ca 0.01 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.58 2r55 s ARG 124 Cb -0.02 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.05 2r55 s ARG 124 CO -0.00 0.47 0.57 0.71 0.02 0.00 0.00 175.30 177.08 2r55 s TYR 125 N -0.35 2.35 0.12 -0.53 2.02 0.82 -5.02 117.35 116.76 2r55 s TYR 125 Ca 0.03 -0.53 0.19 0.00 -0.37 0.00 0.00 57.07 56.39 2r55 s TYR 125 Cb -0.13 -2.26 0.63 0.00 -0.40 0.00 0.00 41.96 39.81 2r55 s TYR 125 CO 0.02 -0.55 1.71 0.93 -1.57 0.00 0.00 175.55 176.09 2r55 h GLU 126 N 0.62 0.00 0.00 -0.62 4.39 -2.01 -2.84 114.58 114.12 2r55 h GLU 126 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2r55 h GLU 126 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2r55 h GLU 126 CO 0.47 0.37 -0.08 -0.40 -1.16 0.00 0.00 179.01 178.22 2r55 n ASP 127 N -3.46 0.58 0.00 1.42 5.75 -1.26 -4.89 116.55 114.69 2r55 n ASP 127 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 2r55 n ASP 127 Cb 0.53 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2r55 n ASP 127 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r55 n GLY 128 N 1.37 2.13 3.54 6.12 0.00 -1.07 -4.80 105.19 112.48 2r55 n GLY 128 Ca 0.06 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.53 2r55 n GLY 128 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2r55 n THR 129 N -0.27 0.20 -4.85 2.61 -1.04 -1.26 -4.69 114.28 104.98 2r55 n THR 129 Ca 0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 2r55 n THR 129 Cb 0.00 -0.42 -0.13 0.00 -1.82 0.00 0.00 70.33 67.96 2r55 n THR 129 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2r55 s ILE 130 N 0.12 3.07 0.12 12.58 1.01 -0.22 -0.12 121.20 137.75 2r55 s ILE 130 Ca 0.85 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.84 2r55 s ILE 130 Cb -1.08 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2r55 s ILE 130 CO 0.52 0.57 -0.10 -0.94 0.00 0.00 0.00 174.94 174.99 2r55 s SER 131 N -0.40 1.60 -0.03 3.58 1.04 -0.62 0.36 113.70 119.22 2r55 s SER 131 Ca 0.05 -0.89 0.07 0.00 0.48 0.00 0.00 55.95 55.66 2r55 s SER 131 Cb -0.12 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 2r55 s SER 131 CO 0.02 -0.28 -0.25 -0.94 0.98 0.00 0.00 173.24 172.77 2r55 s SER 132 N -2.71 2.98 -0.19 7.02 1.04 0.14 -2.61 113.70 119.37 2r55 s SER 132 Ca 0.10 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2r55 s SER 132 Cb -0.01 -0.48 0.07 0.00 0.10 0.00 0.00 66.02 65.69 2r55 s SER 132 CO 0.00 0.29 0.08 0.20 0.98 0.00 0.00 173.24 174.80 2r55 s ASN 133 N -0.46 2.62 -0.04 7.02 0.01 -0.46 -2.02 114.94 121.62 2r55 s ASN 133 Ca 0.06 -0.75 0.05 0.00 -0.71 0.00 0.00 52.86 51.51 2r55 s ASN 133 Cb -0.11 -0.33 -0.01 0.00 0.41 0.00 0.00 41.25 41.21 2r55 s ASN 133 CO 0.00 -0.35 -0.19 0.00 -1.51 0.00 0.00 177.10 175.05 2r55 s ALA 134 N 2.07 1.64 0.04 0.60 0.00 0.29 -0.58 121.76 125.82 2r55 s ALA 134 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2r55 s ALA 134 Cb -0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 2r55 s ALA 134 CO -0.12 0.33 -0.04 -0.08 0.00 0.00 0.00 175.76 175.85 2r55 s THR 135 N -0.13 0.25 0.50 0.00 -1.32 0.07 -1.63 115.64 113.38 2r55 s THR 135 Ca -0.01 -1.30 -0.23 0.00 -1.21 0.00 0.00 61.69 58.95 2r55 s THR 135 Cb -0.11 -0.81 -0.06 0.00 -1.51 0.00 0.00 72.50 70.01 2r55 s THR 135 CO 0.02 -0.67 1.34 -1.38 -2.21 0.00 0.00 174.62 171.71 2r55 s HIS 136 N -2.39 2.47 -0.12 9.09 -3.43 0.46 0.15 115.29 121.51 2r55 s HIS 136 Ca -0.06 1.38 -0.11 0.00 -0.80 0.00 0.00 55.06 55.47 2r55 s HIS 136 Cb -0.03 -3.75 0.03 0.00 -1.43 0.00 0.00 32.58 27.41 2r55 s HIS 136 CO -0.04 -2.61 0.33 0.54 -2.00 0.00 0.00 174.74 170.96 2r55 s VAL 137 N -1.32 -0.00 0.03 -5.38 0.11 0.14 -4.60 120.40 109.38 2r55 s VAL 137 Ca 0.67 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.43 2r55 s VAL 137 Cb -0.39 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 2r55 s VAL 137 CO 0.47 0.00 1.13 -1.61 -3.33 0.00 0.00 175.10 171.77 2r55 s GLU 138 N 0.29 4.46 -0.13 1.54 2.02 -1.26 -4.62 118.70 121.00 2r55 s GLU 138 Ca -0.01 1.66 -0.02 0.00 0.02 0.00 0.00 54.97 56.62 2r55 s GLU 138 Cb -0.03 -3.40 0.04 0.00 0.10 0.00 0.00 34.13 30.84 2r55 s GLU 138 CO -0.01 -0.22 -0.00 -1.58 0.02 0.00 0.00 175.26 173.48 2r55 s HIS 139 N 1.16 0.99 0.04 1.61 2.46 -1.26 -5.03 115.29 115.26 2r55 s HIS 139 Ca 0.56 -0.56 0.09 0.00 0.47 0.00 0.00 55.06 55.62 2r55 s HIS 139 Cb -0.26 -0.98 0.48 0.00 -0.13 0.00 0.00 32.58 31.69 2r55 s HIS 139 CO 0.28 -0.47 1.12 -2.30 -2.47 0.00 0.00 174.74 170.89 2r55 n PRO 140 N 5.06 0.06 -0.28 2.88 -0.02 -1.26 -0.30 135.00 141.15 2r55 n PRO 140 Ca -0.09 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2r55 n PRO 140 Cb 0.49 -2.10 0.25 0.00 -0.02 0.00 0.00 33.50 32.12 2r55 n PRO 140 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2r55 n LEU 141 N -1.90 3.53 -3.04 2.45 7.94 -1.26 -4.66 117.00 120.07 2r55 n LEU 141 Ca -0.01 -1.94 -0.16 0.00 -1.11 0.00 0.00 56.01 52.80 2r55 n LEU 141 Cb 0.41 -0.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 2r55 n LEU 141 CO 0.04 0.87 -0.08 0.00 -1.11 0.00 0.00 177.39 177.11 2r55 s PRO 143 N 0.20 1.61 0.08 0.00 0.04 -1.26 -4.57 135.00 131.11 2r55 s PRO 143 Ca 0.32 -0.95 -0.35 0.00 0.04 0.00 0.00 61.00 60.06 2r55 s PRO 143 Cb 0.09 -2.26 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 2r55 s PRO 143 CO -0.15 -1.53 1.57 -2.30 0.04 0.00 0.00 177.00 174.63 2r55 n PRO 144 N -2.94 1.85 -3.59 0.56 -0.02 -1.26 -4.96 135.00 124.64 2r55 n PRO 144 Ca 0.14 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.95 2r55 n PRO 144 Cb 0.60 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 2r55 n PRO 144 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2r55 s LYS 145 N 1.38 3.73 0.14 -0.52 -0.14 -1.26 -5.03 119.74 118.04 2r55 s LYS 145 Ca 0.83 0.13 -0.31 0.00 -1.36 0.00 0.00 55.97 55.26 2r55 s LYS 145 Cb -0.77 -2.97 -0.10 0.00 -1.68 0.00 0.00 37.83 32.31 2r55 s LYS 145 CO 0.43 0.54 1.76 -1.25 -0.76 0.00 0.00 175.35 176.08 2r55 s PRO 146 N -2.04 4.15 0.00 -1.68 0.04 -1.26 -2.29 135.00 131.92 2r55 s PRO 146 Ca 0.34 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2r55 s PRO 146 Cb -0.14 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2r55 s PRO 146 CO 0.19 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2r55 n GLY 147 N 4.10 0.84 3.55 0.56 0.00 -1.26 -5.04 105.19 107.94 2r55 n GLY 147 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2r55 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r55 s PHE 148 N -3.27 2.75 0.09 1.61 0.40 -0.97 -4.62 117.98 113.96 2r55 s PHE 148 Ca 0.00 -0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 55.94 2r55 s PHE 148 Cb 0.00 -1.51 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 2r55 s PHE 148 CO 0.00 0.35 0.77 0.08 0.70 0.00 0.00 175.22 177.13 2r55 s VAL 149 N -1.04 4.61 -0.45 -0.44 1.01 -0.73 -4.60 120.40 118.76 2r55 s VAL 149 Ca 0.18 1.66 -0.29 0.00 0.00 0.00 0.00 61.98 63.53 2r55 s VAL 149 Cb -0.11 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2r55 s VAL 149 CO 0.09 0.42 1.31 -0.60 0.00 0.00 0.00 175.10 176.31 2r55 s ARG 150 N -0.42 3.60 0.56 2.72 6.06 -1.26 -0.65 118.95 129.56 2r55 s ARG 150 Ca 0.38 0.75 -0.02 0.00 -2.50 0.00 0.00 55.73 54.34 2r55 s ARG 150 Cb -0.21 -3.99 0.02 0.00 0.06 0.00 0.00 34.95 30.83 2r55 s ARG 150 CO 0.24 -1.53 0.81 0.20 -2.50 0.00 0.00 175.30 172.52 2r55 s GLY 151 N 3.43 1.67 -0.13 8.12 0.00 0.20 -4.63 107.32 115.99 2r55 s GLY 151 Ca 0.56 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 2r55 s GLY 151 CO 0.32 -0.76 -0.01 -1.36 0.00 0.00 0.00 173.10 171.29 2r55 s PHE 152 N -2.83 1.05 0.11 1.90 0.40 -0.80 -4.46 117.98 113.35 2r55 s PHE 152 Ca 0.54 -0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 55.96 2r55 s PHE 152 Cb -0.10 -1.01 -0.06 0.00 0.51 0.00 0.00 43.02 42.36 2r55 s PHE 152 CO 0.41 -0.49 0.98 -0.80 0.70 0.00 0.00 175.22 176.02 2r55 s ASN 153 N 1.85 7.46 0.54 1.36 0.01 -1.26 -0.31 114.94 124.59 2r55 s ASN 153 Ca 0.02 1.83 0.05 0.00 -0.71 0.00 0.00 52.86 54.05 2r55 s ASN 153 Cb -0.14 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 38.98 2r55 s ASN 153 CO -0.07 -0.10 0.74 -1.00 -1.51 0.00 0.00 177.10 175.17 2r55 s HIS 154 N 0.03 2.38 -0.22 2.20 3.76 0.13 -0.40 115.29 123.16 2r55 s HIS 154 Ca 0.48 -0.31 -0.41 0.00 -0.15 0.00 0.00 55.06 54.66 2r55 s HIS 154 Cb -0.24 -2.57 -0.18 0.00 1.11 0.00 0.00 32.58 30.71 2r55 s HIS 154 CO 0.30 -0.91 1.53 -2.30 -0.85 0.00 0.00 174.74 172.52 2r55 n PRO 155 N -2.24 0.69 -3.87 8.40 -0.02 -1.25 -4.52 135.00 132.18 2r55 n PRO 155 Ca 0.10 0.25 -0.08 0.00 -2.02 0.00 0.00 63.50 61.76 2r55 n PRO 155 Cb 0.60 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 2r55 n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r55 n GLY 157 N -0.47 0.64 3.00 0.00 0.00 -0.65 -0.55 105.19 107.15 2r55 n GLY 157 Ca -0.05 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 2r55 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r55 s PHE 159 N 0.00 3.12 -0.41 0.00 0.40 0.82 0.24 117.98 122.15 2r55 s PHE 159 Ca 0.00 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 2r55 s PHE 159 Cb -0.06 -2.28 0.05 0.00 0.51 0.00 0.00 43.02 41.24 2r55 s PHE 159 CO -0.00 -0.35 0.27 0.00 0.70 0.00 0.00 175.22 175.84 2r55 s GLU 161 N 1.56 3.15 0.63 0.00 2.02 0.20 -1.05 118.70 125.21 2r55 s GLU 161 Ca 0.03 -0.75 -0.17 0.00 0.02 0.00 0.00 54.97 54.11 2r55 s GLU 161 Cb -0.21 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 2r55 s GLU 161 CO 0.06 -0.18 1.14 -1.25 0.02 0.00 0.00 175.26 175.05 2r55 s PRO 162 N 1.31 2.84 -0.09 0.39 0.04 -1.26 -1.29 135.00 136.95 2r55 s PRO 162 Ca 0.04 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.68 2r55 s PRO 162 Cb -0.14 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2r55 s PRO 162 CO -0.08 -1.25 -0.16 -0.51 0.04 0.00 0.00 177.00 175.03 2r55 s LEU 163 N -4.55 1.80 -1.35 -3.56 1.02 -1.25 -4.85 118.68 105.93 2r55 s LEU 163 Ca 0.71 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 54.38 2r55 s LEU 163 Cb -0.24 -1.07 0.11 0.00 0.02 0.00 0.00 46.19 45.01 2r55 s LEU 163 CO 0.37 0.07 2.29 -0.81 0.02 0.00 0.00 176.35 178.29 2r55 n PRO 164 N 3.83 4.10 0.00 1.29 -0.05 -1.26 -4.61 135.00 138.29 2r55 n PRO 164 Ca -0.21 -3.29 0.00 0.00 -0.05 0.00 0.00 63.50 59.95 2r55 n PRO 164 Cb 0.52 -2.78 0.00 0.00 -0.05 0.00 0.00 33.50 31.19 2r55 n PRO 164 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 175.50 173.15 2r55 n PRO 167 N 2.83 0.00 -0.04 0.54 -0.02 -1.26 -5.11 135.00 131.93 2r55 n PRO 167 Ca 0.57 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2r55 n PRO 167 Cb 0.29 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.78 2r55 n PRO 167 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2r55 n THR 168 N 0.00 0.49 -4.58 3.45 -2.24 -1.26 -4.87 114.28 105.26 2r55 n THR 168 Ca 0.00 -0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 2r55 n THR 168 Cb 0.00 -0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 67.48 2r55 n THR 168 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2r55 s LYS 169 N -0.72 2.01 -0.06 -0.78 3.01 -1.26 -4.37 119.74 117.57 2r55 s LYS 169 Ca 0.02 -2.25 -0.03 0.00 -1.01 0.00 0.00 55.97 52.71 2r55 s LYS 169 Cb 0.02 -0.86 0.03 0.00 -1.01 0.00 0.00 37.83 36.00 2r55 s LYS 169 CO 0.01 -0.45 0.13 0.99 0.51 0.00 0.00 175.35 176.53 2r55 s THR 170 N -3.11 -0.03 -0.14 2.17 2.01 -0.81 -3.85 115.64 111.88 2r55 s THR 170 Ca 0.19 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 2r55 s THR 170 Cb 0.02 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2r55 s THR 170 CO 0.11 0.05 0.51 0.21 -0.69 0.00 0.00 174.62 174.81 2r55 s ASN 171 N 0.78 6.67 -0.24 3.53 2.47 -0.41 -0.04 114.94 127.70 2r55 s ASN 171 Ca -0.06 0.80 0.02 0.00 0.42 0.00 0.00 52.86 54.03 2r55 s ASN 171 Cb -0.08 -2.30 0.04 0.00 -1.45 0.00 0.00 41.25 37.47 2r55 s ASN 171 CO -0.04 -0.07 -0.13 -0.22 -3.72 0.00 0.00 177.10 172.93 2r55 s LEU 172 N 0.98 3.03 -0.18 3.21 2.96 -0.74 -0.63 118.68 127.31 2r55 s LEU 172 Ca 0.26 -1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 53.05 2r55 s LEU 172 Cb -0.15 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2r55 s LEU 172 CO 0.11 -0.13 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.21 2r55 s VAL 173 N 1.19 3.00 0.04 1.68 1.01 -0.92 -2.25 120.40 124.15 2r55 s VAL 173 Ca -0.04 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2r55 s VAL 173 Cb -0.17 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2r55 s VAL 173 CO -0.07 0.48 -0.17 0.42 0.00 0.00 0.00 175.10 175.76 2r55 s THR 174 N 1.04 1.39 -0.14 3.92 -4.23 -0.09 -0.13 115.64 117.41 2r55 s THR 174 Ca -0.00 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2r55 s THR 174 Cb -0.15 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 72.48 2r55 s THR 174 CO -0.02 0.12 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.62 2r55 s PHE 175 N -0.80 2.55 -0.21 3.99 0.08 0.08 0.05 117.98 123.72 2r55 s PHE 175 Ca 0.05 -1.28 -0.09 0.00 0.12 0.00 0.00 56.93 55.73 2r55 s PHE 175 Cb -0.08 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 2r55 s PHE 175 CO 0.01 -0.59 0.11 -0.06 -0.10 0.00 0.00 175.22 174.59 2r55 s PHE 176 N 0.86 3.30 -0.37 0.36 0.40 -0.45 -1.64 117.98 120.42 2r55 s PHE 176 Ca -0.07 0.15 0.12 0.00 -0.60 0.00 0.00 56.93 56.54 2r55 s PHE 176 Cb -0.15 -2.18 0.36 0.00 0.51 0.00 0.00 43.02 41.56 2r55 s PHE 176 CO -0.02 0.12 0.76 1.58 0.70 0.00 0.00 175.22 178.35 2r55 n HIS 177 N 3.90 0.37 -4.13 0.36 -0.00 -1.26 -0.76 115.22 113.69 2r55 n HIS 177 Ca -0.16 -3.71 -0.35 0.00 0.46 0.00 0.00 57.72 53.96 2r55 n HIS 177 Cb 0.52 -0.42 -0.09 0.00 -0.12 0.00 0.00 29.99 29.88 2r55 n HIS 177 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2r55 s THR 178 N -2.55 4.68 -0.51 3.57 2.01 -1.26 0.17 115.64 121.75 2r55 s THR 178 Ca 0.39 -0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.19 2r55 s THR 178 Cb 0.36 -3.05 0.13 0.00 0.01 0.00 0.00 72.50 69.94 2r55 s THR 178 CO -0.07 0.53 0.41 -0.62 -0.69 0.00 0.00 174.62 174.19 2r55 s ASP 179 N -0.23 5.90 0.52 3.53 2.15 0.58 -4.86 116.67 124.26 2r55 s ASP 179 Ca 0.07 -1.91 0.25 0.00 0.43 0.00 0.00 52.55 51.39 2r55 s ASP 179 Cb -0.12 -2.08 1.38 0.00 -0.30 0.00 0.00 42.92 41.80 2r55 s ASP 179 CO 0.02 -0.74 1.98 -0.07 -0.17 0.00 0.00 175.17 176.19 2r55 h LEU 180 N 8.56 0.03 0.00 -1.34 3.38 -1.95 -2.12 115.31 121.86 2r55 h LEU 180 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2r55 h LEU 180 Cb 1.08 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2r55 h LEU 180 CO 0.92 0.01 0.00 -0.24 0.09 0.00 0.00 178.44 179.22 2r55 n SER 181 N -4.38 -0.25 0.00 -0.43 2.88 -1.26 -4.49 113.62 105.70 2r55 n SER 181 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2r55 n SER 181 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2r55 n SER 181 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r55 n GLY 182 N 0.00 3.00 2.32 0.46 0.00 -1.26 -4.22 105.19 105.49 2r55 n GLY 182 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 2r55 n GLY 182 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r55 n TYR 183 N 14.00 0.78 -4.90 1.61 4.02 -1.26 -5.10 117.16 126.30 2r55 n TYR 183 Ca 0.00 -3.72 -0.33 0.00 -0.01 0.00 0.00 57.90 53.84 2r55 n TYR 183 Cb 0.00 -0.33 -0.14 0.00 -0.02 0.00 0.00 39.34 38.85 2r55 n TYR 183 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2r55 s LEU 184 N -1.34 2.59 0.81 7.72 1.43 -1.26 -5.11 118.68 123.53 2r55 s LEU 184 Ca 0.35 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 2r55 s LEU 184 Cb 0.13 -1.55 0.08 0.00 0.03 0.00 0.00 46.19 44.88 2r55 s LEU 184 CO -0.10 0.22 1.12 -2.65 0.23 0.00 0.00 176.35 175.17 2r55 n PRO 185 N 3.15 0.14 0.29 1.29 -0.02 -1.26 -4.96 135.00 133.63 2r55 n PRO 185 Ca -0.18 0.12 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 2r55 n PRO 185 Cb 0.53 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 2r55 n PRO 185 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2r55 h GLN 186 N -0.94 -0.75 -0.85 -0.52 1.08 -2.00 -3.26 115.11 107.87 2r55 h GLN 186 Ca -0.46 0.05 0.22 0.00 -1.45 0.00 0.00 58.65 57.01 2r55 h GLN 186 Cb 1.30 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 28.86 2r55 h GLN 186 CO 0.45 -0.45 0.59 -2.95 -0.95 0.00 0.00 178.83 175.52 2r55 h ASN 187 N -1.11 0.16 0.51 1.46 7.08 -1.98 0.54 115.58 122.25 2r55 h ASN 187 Ca -0.08 0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 53.14 2r55 h ASN 187 Cb 0.65 -0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 36.85 2r55 h ASN 187 CO 0.13 0.06 -0.50 0.58 -2.08 0.00 0.00 177.43 175.63 2r55 h VAL 188 N 0.16 0.00 -0.46 6.14 2.07 -1.96 -1.70 116.25 120.51 2r55 h VAL 188 Ca 0.42 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.99 2r55 h VAL 188 Cb 1.40 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2r55 h VAL 188 CO -0.07 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.28 2r55 h VAL 189 N -1.01 0.89 -0.03 2.57 2.07 -0.08 -2.41 116.25 118.26 2r55 h VAL 189 Ca -0.07 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2r55 h VAL 189 Cb 0.87 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2r55 h VAL 189 CO -0.05 0.07 0.03 0.44 0.02 0.00 0.00 177.57 178.07 2r55 h ASP 190 N 0.37 0.00 0.30 0.57 5.19 -0.81 -2.38 116.42 119.66 2r55 h ASP 190 Ca 0.21 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.29 2r55 h ASP 190 Cb 0.18 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.72 2r55 h ASP 190 CO -0.19 0.00 -1.53 0.28 -3.12 0.00 0.00 179.24 174.68 2r55 h SER 191 N 0.00 0.72 0.74 6.45 0.02 -0.83 -3.41 113.55 117.24 2r55 h SER 191 Ca 0.01 -0.84 -0.04 0.00 -0.84 0.00 0.00 61.79 60.09 2r55 h SER 191 Cb 0.07 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.38 2r55 h SER 191 CO -0.00 1.67 -0.35 0.15 -1.14 0.00 0.00 176.83 177.16 2r55 h PHE 192 N 0.12 -0.92 -0.05 3.45 3.57 -1.05 -3.30 116.94 118.76 2r55 h PHE 192 Ca -0.26 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.25 2r55 h PHE 192 Cb 2.12 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 41.12 2r55 h PHE 192 CO 0.11 -0.55 -0.25 0.74 -2.23 0.00 0.00 178.31 176.13 2r55 h PHE 193 N -1.15 -0.68 -0.66 0.41 0.04 -1.74 0.21 116.94 113.37 2r55 h PHE 193 Ca -0.10 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.79 2r55 h PHE 193 Cb 0.78 0.31 -0.11 0.00 2.20 0.00 0.00 35.95 39.13 2r55 h PHE 193 CO -0.00 -0.34 -0.45 -1.35 -0.60 0.00 0.00 178.31 175.56 2r55 h PRO 194 N -0.37 -0.18 -0.31 1.51 0.11 -1.79 -0.19 132.00 130.79 2r55 h PRO 194 Ca 0.08 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 2r55 h PRO 194 Cb 0.47 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 2r55 h PRO 194 CO -0.26 -0.12 0.12 0.00 -0.21 0.00 0.00 178.00 177.53 2r55 h ARG 195 N -0.19 0.43 -0.64 1.05 3.08 -1.51 -1.87 114.38 114.73 2r55 h ARG 195 Ca 0.19 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2r55 h ARG 195 Cb 0.55 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2r55 h ARG 195 CO -0.74 0.36 0.10 1.03 -1.07 0.00 0.00 179.97 179.65 2r55 h SER 196 N 0.43 1.02 -0.25 7.04 0.87 0.10 -2.30 113.55 120.45 2r55 h SER 196 Ca 0.11 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 2r55 h SER 196 Cb 0.10 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2r55 h SER 196 CO -0.01 1.02 -0.07 -0.03 -0.53 0.00 0.00 176.83 177.21 2r55 h MET 197 N 0.97 0.49 -0.27 2.24 1.85 -0.30 -1.05 114.93 118.87 2r55 h MET 197 Ca 0.19 -0.19 -0.06 0.00 -0.61 0.00 0.00 59.70 59.03 2r55 h MET 197 Cb 0.44 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 2r55 h MET 197 CO 0.01 0.72 -0.08 1.79 -0.40 0.00 0.00 176.91 178.95 2r55 h THR 198 N 0.23 1.20 -0.14 -0.77 1.35 -1.41 -2.37 112.91 111.00 2r55 h THR 198 Ca 0.06 -0.86 -0.17 0.00 -0.55 0.00 0.00 66.41 64.89 2r55 h THR 198 Cb 0.54 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2r55 h THR 198 CO 0.03 0.28 -0.63 0.03 -0.25 0.00 0.00 175.52 174.98 2r55 h ARG 199 N 0.41 0.50 -0.24 4.72 3.08 -1.41 -2.14 114.38 119.30 2r55 h ARG 199 Ca 0.08 -0.35 0.02 0.00 0.07 0.00 0.00 59.98 59.80 2r55 h ARG 199 Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2r55 h ARG 199 CO 0.02 0.97 0.09 0.35 -1.07 0.00 0.00 179.97 180.34 2r55 h PHE 200 N 0.37 0.17 -0.26 3.04 3.57 -0.72 -0.04 116.94 123.08 2r55 h PHE 200 Ca -0.01 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2r55 h PHE 200 Cb 1.18 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2r55 h PHE 200 CO 0.05 0.09 -0.39 1.88 -2.23 0.00 0.00 178.31 177.71 2r55 h TYR 201 N 0.21 0.89 -0.50 0.41 -1.99 -1.48 0.65 116.97 115.15 2r55 h TYR 201 Ca 0.10 -0.30 0.10 0.00 2.00 0.00 0.00 58.73 60.63 2r55 h TYR 201 Cb 0.05 -0.17 -0.09 0.00 2.00 0.00 0.00 36.73 38.52 2r55 h TYR 201 CO -0.11 1.07 -0.05 0.00 -0.00 0.00 0.00 178.16 179.07 2r55 h ALA 202 N 0.66 0.43 0.31 3.88 0.00 -1.25 -1.51 119.26 121.77 2r55 h ALA 202 Ca 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2r55 h ALA 202 Cb 0.98 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2r55 h ALA 202 CO 0.09 -0.41 -0.15 -0.91 0.00 0.00 0.00 179.25 177.87 2r55 h ASN 203 N 0.07 -0.35 -1.00 0.00 2.35 -0.74 -3.00 115.58 112.91 2r55 h ASN 203 Ca 0.25 -0.11 0.28 0.00 -0.55 0.00 0.00 56.30 56.16 2r55 h ASN 203 Cb 0.38 0.09 -0.13 0.00 0.05 0.00 0.00 38.32 38.71 2r55 h ASN 203 CO -0.46 -0.09 0.58 0.25 -1.65 0.00 0.00 177.43 176.06 2r55 h LEU 204 N -0.62 0.60 -0.06 1.61 7.12 -0.69 -1.81 115.31 121.47 2r55 h LEU 204 Ca -0.04 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 2r55 h LEU 204 Cb 0.44 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2r55 h LEU 204 CO 0.07 0.00 0.02 1.56 -0.13 0.00 0.00 178.44 179.96 2r55 h GLN 205 N 0.47 0.09 -0.87 1.25 4.20 -1.14 -2.16 115.11 116.95 2r55 h GLN 205 Ca 0.68 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.51 2r55 h GLN 205 Cb 1.41 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 29.08 2r55 h GLN 205 CO -0.53 0.22 0.47 -0.22 -0.67 0.00 0.00 178.83 178.10 2r55 h LYS 206 N -0.06 0.67 -0.35 1.46 3.64 -1.27 -0.81 116.57 119.84 2r55 h LYS 206 Ca 0.02 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2r55 h LYS 206 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2r55 h LYS 206 CO -0.00 0.44 -0.02 0.00 -2.27 0.00 0.00 179.45 177.60 2r55 h ALA 207 N 1.55 0.48 -0.04 5.00 0.00 -1.12 -2.63 119.26 122.49 2r55 h ALA 207 Ca 0.46 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2r55 h ALA 207 Cb 0.61 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2r55 h ALA 207 CO -0.34 0.27 -0.14 0.28 0.00 0.00 0.00 179.25 179.32 2r55 h VAL 208 N 0.44 0.64 -0.72 0.00 2.07 -0.94 -2.84 116.25 114.90 2r55 h VAL 208 Ca 0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.80 2r55 h VAL 208 Cb 0.49 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2r55 h VAL 208 CO 0.02 0.00 0.50 0.11 0.02 0.00 0.00 177.57 178.22 2r55 h LYS 209 N -0.21 0.19 0.00 1.57 1.57 -0.93 -0.80 116.57 117.96 2r55 h LYS 209 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2r55 h LYS 209 Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2r55 h LYS 209 CO -0.17 0.13 -0.05 1.96 -0.57 0.00 0.00 179.45 180.75 2r55 h GLN 210 N 0.19 0.00 0.00 3.15 4.20 -1.22 -0.86 115.11 120.58 2r55 h GLN 210 Ca 0.35 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.03 2r55 h GLN 210 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 2r55 h GLN 210 CO -0.07 0.05 -0.55 0.74 -0.67 0.00 0.00 178.83 178.33 2r55 h PHE 211 N 0.00 0.00 -0.40 2.96 0.04 -1.26 -3.25 116.94 115.04 2r55 h PHE 211 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2r55 h PHE 211 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2r55 h PHE 211 CO 0.00 0.16 0.00 0.72 -0.60 0.00 0.00 178.31 178.59 2r55 n HIS 212 N -2.97 1.08 -1.06 -0.55 8.25 -0.34 -5.18 115.22 114.44 2r55 n HIS 212 Ca 0.01 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 2r55 n HIS 212 Cb 0.61 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2r55 n HIS 212 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07