#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmm h ALA 2 N 0.00 2.60 -0.31 -1.28 0.00 -1.95 -2.00 119.26 116.32 3hmm h ALA 2 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hmm h ALA 2 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hmm h ALA 2 CO 0.00 -0.78 0.21 -0.09 0.00 0.00 0.00 179.25 178.59 3hmm h ARG 3 N 0.02 0.09 -0.11 0.00 9.65 -2.03 -2.77 114.38 119.22 3hmm h ARG 3 Ca 0.31 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 3hmm h ARG 3 Cb 1.22 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3hmm h ARG 3 CO -0.01 0.06 0.00 0.25 2.80 0.00 0.00 179.97 183.07 3hmm n THR 4 N -4.47 1.66 -3.56 0.20 -2.24 -0.76 -5.00 114.28 100.11 3hmm n THR 4 Ca 0.04 -1.71 -0.37 0.00 -2.27 0.00 0.00 64.05 59.73 3hmm n THR 4 Cb 0.32 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3hmm n THR 4 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hmm s ILE 5 N -2.18 5.20 -0.20 2.28 1.01 -1.05 -4.39 121.20 121.88 3hmm s ILE 5 Ca 0.26 0.66 -0.02 0.00 0.00 0.00 0.00 60.65 61.55 3hmm s ILE 5 Cb 0.21 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3hmm s ILE 5 CO 0.05 0.51 -0.10 -0.69 0.00 0.00 0.00 174.94 174.71 3hmm s VAL 6 N -0.49 2.90 0.22 2.92 1.01 -0.66 -4.92 120.40 121.39 3hmm s VAL 6 Ca 0.20 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3hmm s VAL 6 Cb -0.15 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.86 3hmm s VAL 6 CO 0.09 0.47 1.18 -0.76 0.00 0.00 0.00 175.10 176.08 3hmm s LEU 7 N 1.34 4.48 -0.02 3.92 1.43 -1.26 -0.61 118.68 127.97 3hmm s LEU 7 Ca 0.04 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.44 3hmm s LEU 7 Cb -0.14 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 3hmm s LEU 7 CO -0.06 -0.32 -0.01 0.00 0.23 0.00 0.00 176.35 176.19 3hmm n GLN 8 N 2.00 1.77 -3.69 1.70 6.02 -0.11 -4.94 117.38 120.12 3hmm n GLN 8 Ca 0.02 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 3hmm n GLN 8 Cb 0.44 -1.04 -0.09 0.00 1.02 0.00 0.00 30.24 30.58 3hmm n GLN 8 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3hmm s GLU 9 N -2.04 0.62 -0.08 -1.09 2.12 -1.07 -4.99 118.70 112.17 3hmm s GLU 9 Ca -0.02 0.75 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 3hmm s GLU 9 Cb 0.01 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.67 3hmm s GLU 9 CO 0.05 -0.08 1.10 0.45 -0.54 0.00 0.00 175.26 176.25 3hmm s SER 10 N 0.32 7.15 -0.03 -1.70 0.15 -1.26 -0.28 113.70 118.05 3hmm s SER 10 Ca -0.00 1.67 0.04 0.00 0.70 0.00 0.00 55.95 58.36 3hmm s SER 10 Cb -0.04 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 3hmm s SER 10 CO 0.00 -0.51 0.99 2.30 1.20 0.00 0.00 173.24 177.22 3hmm n ILE 11 N 4.57 1.07 0.00 6.45 -5.35 -0.24 -4.91 119.36 120.95 3hmm n ILE 11 Ca 0.10 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 3hmm n ILE 11 Cb 0.47 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 3hmm n ILE 11 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hmm n GLY 12 N -0.64 2.17 3.13 3.28 0.00 -1.13 -4.95 105.19 107.05 3hmm n GLY 12 Ca 0.03 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 3hmm n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hmm s LYS 13 N -1.93 1.67 0.54 1.61 -0.14 -1.26 0.40 119.74 120.63 3hmm s LYS 13 Ca 0.00 -0.59 0.02 0.00 -1.36 0.00 0.00 55.97 54.04 3hmm s LYS 13 Cb 0.00 -1.48 0.10 0.00 -1.68 0.00 0.00 37.83 34.77 3hmm s LYS 13 CO 0.00 0.25 0.74 0.41 -0.76 0.00 0.00 175.35 175.99 3hmm n GLY 14 N 3.09 0.99 0.36 -3.33 0.00 -0.36 -4.92 105.19 101.01 3hmm n GLY 14 Ca -0.18 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 43.91 3hmm n GLY 14 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hmm h ARG 15 N 0.00 0.76 -3.81 1.61 2.43 -2.02 -3.39 114.38 109.96 3hmm h ARG 15 Ca -0.25 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.66 3hmm h ARG 15 Cb 0.95 -0.17 -0.26 0.00 -0.42 0.00 0.00 29.97 30.07 3hmm h ARG 15 CO 0.28 0.50 -0.72 -0.06 -1.51 0.00 0.00 179.97 178.47 3hmm s PHE 16 N -5.86 0.08 0.00 2.20 0.40 -1.26 -5.12 117.98 108.43 3hmm s PHE 16 Ca -0.11 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 3hmm s PHE 16 Cb 0.25 -0.06 0.00 0.00 0.51 0.00 0.00 43.02 43.72 3hmm s PHE 16 CO 0.80 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 177.09 3hmm n GLY 17 N 2.73 -1.02 3.55 4.36 0.00 -1.26 -4.93 105.19 108.62 3hmm n GLY 17 Ca -0.15 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 3hmm n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hmm s GLU 18 N -2.87 2.56 -0.17 1.61 2.12 -0.64 -1.23 118.70 120.08 3hmm s GLU 18 Ca 0.00 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 3hmm s GLU 18 Cb 0.00 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.87 3hmm s GLU 18 CO 0.00 0.62 0.14 0.08 -0.54 0.00 0.00 175.26 175.56 3hmm s VAL 19 N -0.88 5.44 0.19 3.70 1.01 0.16 -0.69 120.40 129.33 3hmm s VAL 19 Ca 0.14 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.42 3hmm s VAL 19 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3hmm s VAL 19 CO 0.04 0.50 -0.16 0.26 0.00 0.00 0.00 175.10 175.75 3hmm s TRP 20 N -0.14 1.72 -0.40 5.22 0.52 0.21 -1.07 118.94 125.00 3hmm s TRP 20 Ca 0.11 -0.54 -0.13 0.00 0.02 0.00 0.00 56.10 55.57 3hmm s TRP 20 Cb -0.11 -0.82 0.03 0.00 -1.15 0.00 0.00 33.47 31.41 3hmm s TRP 20 CO 0.00 0.34 0.25 0.50 0.02 0.00 0.00 176.95 178.07 3hmm s ARG 21 N -3.32 2.87 0.48 4.98 3.52 0.62 -1.22 118.95 126.87 3hmm s ARG 21 Ca 0.20 -1.10 0.05 0.00 -0.13 0.00 0.00 55.73 54.75 3hmm s ARG 21 Cb -0.03 -3.85 -0.01 0.00 -1.56 0.00 0.00 34.95 29.51 3hmm s ARG 21 CO 0.07 -0.75 0.24 0.20 -0.81 0.00 0.00 175.30 174.24 3hmm s GLY 22 N 1.69 2.48 -0.11 8.12 0.00 0.20 -0.94 107.32 118.75 3hmm s GLY 22 Ca 0.03 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.34 3hmm s GLY 22 CO 0.08 -1.97 -0.18 0.54 0.00 0.00 0.00 173.10 171.56 3hmm s LYS 23 N -4.05 2.52 -0.38 2.90 1.02 0.22 -0.73 119.74 121.25 3hmm s LYS 23 Ca 0.32 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.63 3hmm s LYS 23 Cb 0.01 -2.06 0.11 0.00 -0.52 0.00 0.00 37.83 35.37 3hmm s LYS 23 CO 0.18 -0.00 0.13 -0.46 -0.92 0.00 0.00 175.35 174.28 3hmm s TRP 24 N 0.81 3.68 -1.25 3.18 -0.00 0.21 -1.65 118.94 123.92 3hmm s TRP 24 Ca -0.09 -2.70 -0.05 0.00 -0.00 0.00 0.00 56.10 53.25 3hmm s TRP 24 Cb -0.16 -3.09 0.01 0.00 -0.00 0.00 0.00 33.47 30.23 3hmm s TRP 24 CO 0.00 -0.96 0.70 -2.13 -0.00 0.00 0.00 176.95 174.56 3hmm n ARG 25 N 4.43 -5.11 0.00 5.86 3.00 -1.26 -2.00 116.66 121.57 3hmm n ARG 25 Ca 0.01 0.74 0.00 0.00 -0.00 0.00 0.00 57.85 58.60 3hmm n ARG 25 Cb 0.42 -5.33 0.00 0.00 0.00 0.00 0.00 32.46 27.55 3hmm n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hmm n GLY 26 N -1.55 3.09 3.76 5.14 0.00 -1.26 -5.03 105.19 109.35 3hmm n GLY 26 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3hmm n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hmm s GLU 27 N -0.35 4.67 0.18 1.61 2.12 -0.85 -4.98 118.70 121.10 3hmm s GLU 27 Ca 0.00 1.28 -0.30 0.00 0.36 0.00 0.00 54.97 56.31 3hmm s GLU 27 Cb 0.00 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.04 3hmm s GLU 27 CO 0.00 0.53 0.99 -1.21 -0.54 0.00 0.00 175.26 175.04 3hmm s GLU 28 N -1.09 4.72 0.11 4.30 2.02 -1.26 0.65 118.70 128.15 3hmm s GLU 28 Ca 0.38 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 56.89 3hmm s GLU 28 Cb -0.24 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 3hmm s GLU 28 CO 0.28 0.28 0.07 0.14 0.02 0.00 0.00 175.26 176.05 3hmm s VAL 29 N -0.50 0.13 -0.09 2.63 -7.23 0.09 -4.31 120.40 111.13 3hmm s VAL 29 Ca 0.45 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 3hmm s VAL 29 Cb -0.26 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3hmm s VAL 29 CO 0.32 -0.60 0.09 0.00 -0.31 0.00 0.00 175.10 174.60 3hmm s ALA 30 N -3.99 3.66 -0.06 1.32 0.00 -0.18 -0.63 121.76 121.87 3hmm s ALA 30 Ca 0.17 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3hmm s ALA 30 Cb 0.07 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.45 3hmm s ALA 30 CO -0.02 0.63 -0.08 0.08 0.00 0.00 0.00 175.76 176.37 3hmm s VAL 31 N -1.02 0.83 -0.20 0.00 1.01 -0.36 -0.95 120.40 119.70 3hmm s VAL 31 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3hmm s VAL 31 Cb -0.12 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3hmm s VAL 31 CO 0.06 0.30 -0.06 -0.75 0.00 0.00 0.00 175.10 174.65 3hmm s LYS 32 N 0.96 3.41 -0.17 2.72 2.20 0.03 0.64 119.74 129.53 3hmm s LYS 32 Ca -0.10 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.86 3hmm s LYS 32 Cb -0.15 -2.94 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 3hmm s LYS 32 CO 0.00 -0.09 -0.06 0.42 -0.36 0.00 0.00 175.35 175.27 3hmm s ILE 33 N 1.20 3.61 0.25 5.43 1.01 0.13 -1.48 121.20 131.35 3hmm s ILE 33 Ca 0.02 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.32 3hmm s ILE 33 Cb -0.14 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3hmm s ILE 33 CO -0.01 0.48 0.00 -0.36 0.00 0.00 0.00 174.94 175.05 3hmm s PHE 34 N 0.62 2.74 0.51 3.97 0.08 0.47 -1.63 117.98 124.74 3hmm s PHE 34 Ca -0.04 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.82 3hmm s PHE 34 Cb -0.15 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3hmm s PHE 34 CO 0.03 0.60 0.73 -1.54 -0.10 0.00 0.00 175.22 174.93 3hmm s SER 35 N -3.54 5.50 0.47 1.36 1.04 -1.26 -1.42 113.70 115.84 3hmm s SER 35 Ca 0.31 0.11 0.16 0.00 0.48 0.00 0.00 55.95 57.01 3hmm s SER 35 Cb -0.07 -1.14 1.13 0.00 0.10 0.00 0.00 66.02 66.04 3hmm s SER 35 CO 0.20 -0.96 2.02 0.77 0.98 0.00 0.00 173.24 176.24 3hmm h SER 36 N 0.20 0.24 0.10 7.02 4.64 -1.98 -0.45 113.55 123.32 3hmm h SER 36 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hmm h SER 36 Cb 1.28 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3hmm h SER 36 CO 0.54 0.15 -0.01 -2.11 -0.87 0.00 0.00 176.83 174.53 3hmm n ARG 37 N -4.46 1.00 -0.54 4.77 1.85 -1.26 -3.08 116.66 114.93 3hmm n ARG 37 Ca 0.07 -0.15 0.05 0.00 -1.00 0.00 0.00 57.85 56.81 3hmm n ARG 37 Cb 0.35 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.50 3hmm n ARG 37 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3hmm n GLU 38 N -0.87 2.56 -0.27 2.89 1.02 -0.18 -4.73 120.64 121.06 3hmm n GLU 38 Ca 0.21 -2.93 0.03 0.00 -0.02 0.00 0.00 57.16 54.46 3hmm n GLU 38 Cb 0.17 -1.83 0.25 0.00 -0.02 0.00 0.00 31.44 30.01 3hmm n GLU 38 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3hmm h GLU 39 N 1.50 0.98 -0.73 3.49 4.81 -1.58 -1.70 114.58 121.35 3hmm h GLU 39 Ca 0.07 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3hmm h GLU 39 Cb 1.52 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 3hmm h GLU 39 CO 0.28 0.65 0.27 0.00 -0.73 0.00 0.00 179.01 179.47 3hmm h ARG 40 N 1.01 1.09 -0.31 1.92 2.47 -1.89 0.39 114.38 119.06 3hmm h ARG 40 Ca 0.35 -0.20 -0.12 0.00 -1.26 0.00 0.00 59.98 58.75 3hmm h ARG 40 Cb 0.12 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 3hmm h ARG 40 CO -0.12 0.90 -0.27 0.77 0.56 0.00 0.00 179.97 181.82 3hmm h SER 41 N 1.06 0.78 0.05 7.04 0.02 -1.80 -0.30 113.55 120.41 3hmm h SER 41 Ca 0.24 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3hmm h SER 41 Cb 0.24 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3hmm h SER 41 CO -0.02 1.08 -0.02 -0.25 -1.14 0.00 0.00 176.83 176.47 3hmm h TRP 42 N 0.50 -0.06 -0.45 3.45 7.01 -1.06 -2.01 115.95 123.32 3hmm h TRP 42 Ca 0.06 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 3hmm h TRP 42 Cb 0.84 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.90 3hmm h TRP 42 CO 0.07 0.06 0.27 0.35 -2.79 0.00 0.00 178.44 176.39 3hmm h PHE 43 N -0.17 0.60 -0.68 2.65 3.04 -0.16 -0.95 116.94 121.28 3hmm h PHE 43 Ca -0.01 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 3hmm h PHE 43 Cb 0.15 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 3hmm h PHE 43 CO -0.04 0.43 0.37 -0.09 -2.02 0.00 0.00 178.31 176.96 3hmm h ARG 44 N 0.60 0.94 -0.46 1.11 9.65 -0.99 0.14 114.38 125.37 3hmm h ARG 44 Ca 0.16 -0.11 -0.09 0.00 -1.10 0.00 0.00 59.98 58.84 3hmm h ARG 44 Cb 0.01 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 3hmm h ARG 44 CO -0.03 0.71 -0.06 1.49 2.80 0.00 0.00 179.97 184.88 3hmm h GLU 45 N 0.93 0.86 -0.83 0.20 4.81 -1.16 -1.26 114.58 118.12 3hmm h GLU 45 Ca 0.24 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3hmm h GLU 45 Cb 0.04 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3hmm h GLU 45 CO -0.04 0.94 0.51 0.00 -0.73 0.00 0.00 179.01 179.69 3hmm h ALA 46 N 0.89 1.33 -0.15 2.92 0.00 -0.77 -1.35 119.26 122.14 3hmm h ALA 46 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hmm h ALA 46 Cb 0.59 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hmm h ALA 46 CO 0.04 0.58 0.09 1.49 0.00 0.00 0.00 179.25 181.45 3hmm h GLU 47 N 1.14 0.20 -0.37 0.00 4.81 -0.31 -1.78 114.58 118.28 3hmm h GLU 47 Ca 0.30 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3hmm h GLU 47 Cb -0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3hmm h GLU 47 CO -0.06 0.18 0.19 0.82 -0.73 0.00 0.00 179.01 179.41 3hmm h ILE 48 N 0.17 1.16 0.00 2.32 1.08 -0.81 -2.55 117.51 118.88 3hmm h ILE 48 Ca 0.05 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3hmm h ILE 48 Cb 0.03 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3hmm h ILE 48 CO -0.01 0.16 -0.12 1.88 -0.69 0.00 0.00 178.15 179.37 3hmm h TYR 49 N 0.46 0.00 -0.32 1.37 -1.99 -1.13 -2.17 116.97 113.19 3hmm h TYR 49 Ca 0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 3hmm h TYR 49 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 3hmm h TYR 49 CO -0.02 0.12 0.00 1.04 -0.00 0.00 0.00 178.16 179.30 3hmm n GLN 50 N -3.56 1.76 -1.78 4.88 6.02 -0.68 -4.89 117.38 119.13 3hmm n GLN 50 Ca -0.01 -1.18 -0.41 0.00 -0.01 0.00 0.00 57.00 55.38 3hmm n GLN 50 Cb 0.26 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 3hmm n GLN 50 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hmm s THR 51 N -1.58 2.03 0.34 5.09 2.01 -0.82 -4.91 115.64 117.81 3hmm s THR 51 Ca 0.23 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 3hmm s THR 51 Cb 0.12 -3.02 -0.12 0.00 0.01 0.00 0.00 72.50 69.49 3hmm s THR 51 CO 0.16 0.01 1.41 0.55 -0.69 0.00 0.00 174.62 176.06 3hmm n VAL 52 N 1.26 1.79 -2.02 3.82 3.14 -1.26 -2.40 118.33 122.65 3hmm n VAL 52 Ca 0.04 -0.45 -0.19 0.00 -2.96 0.00 0.00 64.34 60.78 3hmm n VAL 52 Cb 0.38 -1.76 -0.04 0.00 -1.06 0.00 0.00 33.84 31.36 3hmm n VAL 52 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 3hmm n MET 53 N 0.83 -1.62 0.08 1.45 2.81 -1.26 -4.27 117.12 115.13 3hmm n MET 53 Ca 0.04 1.02 -0.14 0.00 -1.81 0.00 0.00 57.70 56.81 3hmm n MET 53 Cb 0.37 -5.54 -0.07 0.00 -0.71 0.00 0.00 33.22 27.27 3hmm n MET 53 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3hmm h LEU 54 N 0.00 0.52 -9.35 4.03 5.85 -1.82 -3.47 115.31 111.07 3hmm h LEU 54 Ca -0.43 -0.45 -0.65 0.00 0.84 0.00 0.00 57.88 57.20 3hmm h LEU 54 Cb 1.30 -0.16 0.07 0.00 0.37 0.00 0.00 40.66 42.24 3hmm h LEU 54 CO 0.56 1.27 0.36 0.54 -0.34 0.00 0.00 178.44 180.82 3hmm n ARG 55 N -3.70 1.29 -3.54 1.25 1.74 -1.26 -4.96 116.66 107.48 3hmm n ARG 55 Ca -0.07 0.46 -0.17 0.00 -0.77 0.00 0.00 57.85 57.30 3hmm n ARG 55 Cb 0.88 -2.01 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 3hmm n ARG 55 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hmm s HIS 56 N -0.01 -0.67 0.66 -1.55 2.46 -1.26 -5.03 115.29 109.88 3hmm s HIS 56 Ca 0.75 1.26 0.43 0.00 0.47 0.00 0.00 55.06 57.97 3hmm s HIS 56 Cb -0.84 0.38 2.34 0.00 -0.13 0.00 0.00 32.58 34.33 3hmm s HIS 56 CO 0.50 -0.56 2.34 1.05 -2.47 0.00 0.00 174.74 175.60 3hmm h GLU 57 N 3.37 0.00 -0.46 2.88 4.11 -1.97 -1.68 114.58 120.83 3hmm h GLU 57 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3hmm h GLU 57 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3hmm h GLU 57 CO 0.32 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.49 3hmm n ASN 58 N -3.13 4.97 -4.07 3.06 5.03 -1.26 -4.68 115.26 115.17 3hmm n ASN 58 Ca -0.03 -2.93 -0.24 0.00 0.87 0.00 0.00 54.58 52.25 3hmm n ASN 58 Cb 0.10 -0.62 -0.16 0.00 -1.02 0.00 0.00 39.78 38.07 3hmm n ASN 58 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hmm s ILE 59 N -2.72 1.20 0.06 2.41 -1.09 -0.63 -0.60 121.20 119.84 3hmm s ILE 59 Ca 0.49 -0.57 -0.36 0.00 -2.23 0.00 0.00 60.65 57.98 3hmm s ILE 59 Cb 0.38 -1.06 -0.16 0.00 -1.58 0.00 0.00 42.46 40.04 3hmm s ILE 59 CO 0.14 0.36 1.43 -0.11 -1.23 0.00 0.00 174.94 175.53 3hmm n LEU 60 N 3.37 2.00 -4.61 2.97 7.94 0.15 -4.59 117.00 124.24 3hmm n LEU 60 Ca -0.19 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.38 3hmm n LEU 60 Cb 0.53 -1.23 -0.02 0.00 0.53 0.00 0.00 43.42 43.22 3hmm n LEU 60 CO 0.25 -0.84 1.29 -0.83 -1.11 0.00 0.00 177.39 176.15 3hmm s GLY 61 N 0.91 1.11 0.11 -3.96 0.00 -1.26 -4.97 107.32 99.26 3hmm s GLY 61 Ca 0.85 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 45.32 3hmm s GLY 61 CO 0.47 2.85 0.95 -0.12 0.00 0.00 0.00 173.10 177.25 3hmm s PHE 62 N 5.46 3.82 -0.20 1.90 5.36 -1.26 -1.25 117.98 131.80 3hmm s PHE 62 Ca 0.65 1.79 -0.12 0.00 -0.96 0.00 0.00 56.93 58.29 3hmm s PHE 62 Cb -0.17 -3.04 -0.08 0.00 -0.34 0.00 0.00 43.02 39.39 3hmm s PHE 62 CO 0.31 0.22 -0.29 -0.89 -1.46 0.00 0.00 175.22 173.11 3hmm n ILE 63 N 2.72 1.28 -3.60 3.12 5.41 0.44 -4.93 119.36 123.79 3hmm n ILE 63 Ca 0.02 -0.19 -0.00 0.00 1.00 0.00 0.00 62.75 63.58 3hmm n ILE 63 Cb 0.49 -1.90 -0.01 0.00 -0.71 0.00 0.00 39.64 37.51 3hmm n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hmm s ALA 64 N -2.49 -2.28 0.02 -1.39 0.00 -1.02 -4.99 121.76 109.62 3hmm s ALA 64 Ca -0.29 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.09 3hmm s ALA 64 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3hmm s ALA 64 CO 0.38 -0.80 -0.16 0.00 0.00 0.00 0.00 175.76 175.19 3hmm s ALA 65 N -2.17 2.67 0.30 0.00 0.00 -1.26 -0.67 121.76 120.63 3hmm s ALA 65 Ca 0.13 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 3hmm s ALA 65 Cb 0.03 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.35 3hmm s ALA 65 CO -0.04 0.58 0.76 0.34 0.00 0.00 0.00 175.76 177.40 3hmm s ASP 66 N -1.35 -0.18 0.10 0.00 3.68 -0.46 -5.00 116.67 113.46 3hmm s ASP 66 Ca 0.15 -0.74 0.10 0.00 2.13 0.00 0.00 52.55 54.18 3hmm s ASP 66 Cb -0.11 0.74 -0.04 0.00 -1.45 0.00 0.00 42.92 42.07 3hmm s ASP 66 CO 0.05 -1.41 -0.23 0.20 0.13 0.00 0.00 175.17 173.91 3hmm s ASN 67 N -2.97 3.51 -0.13 -0.34 -0.87 -1.26 -0.79 114.94 112.08 3hmm s ASN 67 Ca 0.12 -0.63 -0.04 0.00 -1.57 0.00 0.00 52.86 50.74 3hmm s ASN 67 Cb -0.05 -0.37 0.06 0.00 -0.02 0.00 0.00 41.25 40.87 3hmm s ASN 67 CO 0.08 0.20 0.13 -0.75 -2.57 0.00 0.00 177.10 174.19 3hmm s LYS 68 N -1.86 0.05 -0.27 -0.60 2.20 -0.45 -4.85 119.74 113.96 3hmm s LYS 68 Ca 0.15 0.21 -0.15 0.00 -0.36 0.00 0.00 55.97 55.81 3hmm s LYS 68 Cb -0.10 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.08 3hmm s LYS 68 CO 0.06 -0.52 0.39 0.34 -0.36 0.00 0.00 175.35 175.26 3hmm s ASP 69 N 2.22 6.27 0.00 1.43 -1.08 -1.26 -0.81 116.67 123.44 3hmm s ASP 69 Ca 0.04 0.31 0.26 0.00 -0.52 0.00 0.00 52.55 52.64 3hmm s ASP 69 Cb -0.14 -2.22 0.94 0.00 -1.46 0.00 0.00 42.92 40.04 3hmm s ASP 69 CO -0.08 -0.20 1.67 -0.46 0.52 0.00 0.00 175.17 176.63 3hmm n ASN 70 N 5.36 1.61 0.00 -0.34 0.23 -0.99 -4.90 115.26 116.23 3hmm n ASN 70 Ca -0.08 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 3hmm n ASN 70 Cb 0.51 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 3hmm n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hmm n GLY 71 N 1.17 2.30 0.78 4.83 0.00 -1.26 -4.86 105.19 108.15 3hmm n GLY 71 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hmm n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hmm n THR 72 N -1.09 0.00 -4.19 2.61 -1.04 -1.26 -5.11 114.28 104.20 3hmm n THR 72 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3hmm n THR 72 Cb 0.00 -1.12 -0.10 0.00 -1.82 0.00 0.00 70.33 67.29 3hmm n THR 72 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3hmm s TRP 73 N -1.97 1.07 -0.16 -1.42 -2.14 -1.26 -5.15 118.94 107.91 3hmm s TRP 73 Ca 0.00 -1.24 -0.07 0.00 2.66 0.00 0.00 56.10 57.45 3hmm s TRP 73 Cb 0.00 -0.58 -0.04 0.00 -3.10 0.00 0.00 33.47 29.75 3hmm s TRP 73 CO 0.00 -0.49 0.09 0.99 -2.66 0.00 0.00 176.95 174.88 3hmm s THR 74 N -3.99 5.06 -0.07 0.66 2.01 -1.26 -2.36 115.64 115.69 3hmm s THR 74 Ca 0.30 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 3hmm s THR 74 Cb 0.07 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 3hmm s THR 74 CO 0.06 0.52 0.01 -1.10 -0.69 0.00 0.00 174.62 173.42 3hmm s GLN 75 N -0.19 2.97 -0.28 4.92 -0.21 0.01 -4.08 119.66 122.80 3hmm s GLN 75 Ca 0.09 -0.43 -0.08 0.00 0.02 0.00 0.00 55.36 54.96 3hmm s GLN 75 Cb -0.12 -2.79 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 3hmm s GLN 75 CO 0.01 0.69 0.10 -0.51 -2.12 0.00 0.00 175.29 173.47 3hmm s LEU 76 N -1.03 3.78 -0.02 2.90 1.43 -0.51 -1.34 118.68 123.89 3hmm s LEU 76 Ca 0.15 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3hmm s LEU 76 Cb -0.11 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3hmm s LEU 76 CO 0.04 -0.13 0.02 0.26 0.23 0.00 0.00 176.35 176.77 3hmm s TRP 77 N 1.59 3.14 -0.04 0.29 0.52 0.03 -0.39 118.94 124.08 3hmm s TRP 77 Ca 0.05 0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.34 3hmm s TRP 77 Cb -0.16 -1.71 0.00 0.00 -1.15 0.00 0.00 33.47 30.45 3hmm s TRP 77 CO 0.04 0.49 -0.15 -0.51 0.02 0.00 0.00 176.95 176.85 3hmm s LEU 78 N -1.49 1.86 -0.01 2.99 1.43 -0.55 -1.35 118.68 121.55 3hmm s LEU 78 Ca 0.19 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3hmm s LEU 78 Cb -0.12 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 3hmm s LEU 78 CO 0.10 0.12 -0.20 -0.69 0.23 0.00 0.00 176.35 175.90 3hmm s VAL 79 N 0.15 1.62 0.34 -1.59 1.01 0.16 -0.79 120.40 121.29 3hmm s VAL 79 Ca -0.05 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3hmm s VAL 79 Cb -0.11 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 3hmm s VAL 79 CO 0.02 0.45 0.42 -1.54 0.00 0.00 0.00 175.10 174.45 3hmm n SER 80 N 2.56 -1.16 -4.73 3.32 3.41 -0.13 -0.42 113.62 116.47 3hmm n SER 80 Ca -0.15 -2.94 -0.33 0.00 -0.26 0.00 0.00 58.87 55.18 3hmm n SER 80 Cb 0.53 2.26 0.10 0.00 -0.26 0.00 0.00 64.21 66.84 3hmm n SER 80 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hmm s ASP 81 N -3.17 4.15 -0.11 4.04 -0.00 -0.38 -1.01 116.67 120.18 3hmm s ASP 81 Ca 0.31 2.22 -0.01 0.00 -0.00 0.00 0.00 52.55 55.08 3hmm s ASP 81 Cb -0.00 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.32 3hmm s ASP 81 CO 0.22 -2.29 -0.07 -0.47 -0.00 0.00 0.00 175.17 172.57 3hmm s TYR 82 N -2.24 2.95 -0.25 4.23 6.14 -1.26 -3.96 117.35 122.97 3hmm s TYR 82 Ca 0.71 -0.23 0.01 0.00 0.64 0.00 0.00 57.07 58.20 3hmm s TYR 82 Cb -0.26 -1.84 0.06 0.00 0.42 0.00 0.00 41.96 40.35 3hmm s TYR 82 CO 0.48 0.08 -0.07 -1.01 0.64 0.00 0.00 175.55 175.67 3hmm s HIS 83 N -0.12 2.69 0.45 4.97 3.76 -1.26 -4.97 115.29 120.80 3hmm s HIS 83 Ca 0.01 -1.96 0.21 0.00 -0.15 0.00 0.00 55.06 53.17 3hmm s HIS 83 Cb -0.13 -1.72 1.18 0.00 1.11 0.00 0.00 32.58 33.02 3hmm s HIS 83 CO 0.03 -0.81 1.86 1.49 -0.85 0.00 0.00 174.74 176.45 3hmm h GLU 84 N 7.89 0.30 0.00 1.40 4.81 -1.98 -0.61 114.58 126.39 3hmm h GLU 84 Ca -0.18 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 3hmm h GLU 84 Cb 1.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3hmm h GLU 84 CO 0.43 0.20 -0.23 0.45 -0.73 0.00 0.00 179.01 179.12 3hmm h HIS 85 N 0.30 0.00 -0.06 0.92 3.86 -1.94 -3.49 115.15 114.75 3hmm h HIS 85 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 3hmm h HIS 85 Cb 1.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.80 3hmm h HIS 85 CO -0.00 0.23 0.00 0.41 0.86 0.00 0.00 177.93 179.43 3hmm n GLY 86 N -0.47 -0.58 3.71 2.45 0.00 -0.24 -4.48 105.19 105.58 3hmm n GLY 86 Ca -0.02 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 3hmm n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hmm s SER 87 N -4.00 3.52 0.31 1.61 1.04 -1.26 -1.76 113.70 113.16 3hmm s SER 87 Ca 0.00 1.95 0.04 0.00 0.48 0.00 0.00 55.95 58.42 3hmm s SER 87 Cb 0.00 -2.50 0.51 0.00 0.10 0.00 0.00 66.02 64.12 3hmm s SER 87 CO 0.00 -2.68 1.79 0.25 0.98 0.00 0.00 173.24 173.58 3hmm h LEU 88 N -1.58 0.46 0.00 2.42 5.85 0.13 -1.77 115.31 120.83 3hmm h LEU 88 Ca -0.45 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.17 3hmm h LEU 88 Cb 1.26 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3hmm h LEU 88 CO 0.47 0.64 -0.18 0.15 -0.34 0.00 0.00 178.44 179.19 3hmm h PHE 89 N 0.44 -0.46 -0.55 1.25 3.57 -1.53 0.73 116.94 120.39 3hmm h PHE 89 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3hmm h PHE 89 Cb 0.52 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 3hmm h PHE 89 CO 0.02 -0.26 0.32 -0.44 -2.23 0.00 0.00 178.31 175.72 3hmm h ASP 90 N -0.29 0.67 -0.11 0.41 3.45 -1.77 -2.27 116.42 116.51 3hmm h ASP 90 Ca 0.06 -0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.47 3hmm h ASP 90 Cb 0.36 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 3hmm h ASP 90 CO -0.17 0.54 -0.07 0.22 -1.57 0.00 0.00 179.24 178.19 3hmm h TYR 91 N 0.74 -0.17 0.00 4.55 3.20 -0.85 -1.18 116.97 123.26 3hmm h TYR 91 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3hmm h TYR 91 Cb 0.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3hmm h TYR 91 CO -0.02 -0.11 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.13 3hmm h LEU 92 N -0.07 0.00 -0.03 2.82 3.38 -0.79 0.10 115.31 120.72 3hmm h LEU 92 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 3hmm h LEU 92 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hmm h LEU 92 CO -0.15 0.18 -1.09 0.78 0.09 0.00 0.00 178.44 178.25 3hmm h ASN 93 N 0.00 0.46 0.56 -0.43 2.35 -0.98 -3.36 115.58 114.17 3hmm h ASN 93 Ca -0.00 -0.43 -0.28 0.00 -0.55 0.00 0.00 56.30 55.04 3hmm h ASN 93 Cb 0.55 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3hmm h ASN 93 CO 0.02 1.28 -1.55 -0.09 -1.65 0.00 0.00 177.43 175.45 3hmm h ARG 94 N 0.14 0.08 -5.29 0.81 2.43 -0.75 -3.48 114.38 108.31 3hmm h ARG 94 Ca -0.11 -0.14 -0.54 0.00 -0.81 0.00 0.00 59.98 58.39 3hmm h ARG 94 Cb 1.78 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 31.24 3hmm h ARG 94 CO 0.18 0.80 -0.59 0.71 -1.51 0.00 0.00 179.97 179.57 3hmm s TYR 95 N -2.62 2.06 0.21 2.20 1.51 0.32 -5.10 117.35 115.93 3hmm s TYR 95 Ca -0.06 -0.94 0.10 0.00 -1.01 0.00 0.00 57.07 55.17 3hmm s TYR 95 Cb 0.08 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 3hmm s TYR 95 CO 0.83 0.08 -0.16 0.95 -1.11 0.00 0.00 175.55 176.14 3hmm s THR 96 N -3.12 2.78 0.21 -0.71 -4.23 -1.26 -4.59 115.64 104.71 3hmm s THR 96 Ca 0.32 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.98 3hmm s THR 96 Cb 0.08 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 3hmm s THR 96 CO 0.15 -0.19 -0.22 0.68 -0.54 0.00 0.00 174.62 174.50 3hmm s VAL 97 N -1.90 2.29 0.77 2.29 -7.23 0.77 -4.91 120.40 112.48 3hmm s VAL 97 Ca 0.25 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 3hmm s VAL 97 Cb -0.08 -2.12 0.10 0.00 0.56 0.00 0.00 36.38 34.84 3hmm s VAL 97 CO 0.14 -0.22 1.09 0.42 -0.31 0.00 0.00 175.10 176.22 3hmm s THR 98 N -1.94 2.17 0.15 5.32 -4.23 -1.26 -0.30 115.64 115.54 3hmm s THR 98 Ca 0.22 -0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.33 3hmm s THR 98 Cb -0.07 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.85 3hmm s THR 98 CO 0.10 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.53 3hmm h VAL 99 N -0.85 0.94 -0.79 2.29 2.07 -1.95 0.12 116.25 118.10 3hmm h VAL 99 Ca -0.43 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3hmm h VAL 99 Cb 1.29 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3hmm h VAL 99 CO 0.53 0.06 0.41 -0.33 0.02 0.00 0.00 177.57 178.27 3hmm h GLU 100 N 0.32 1.10 -0.60 1.57 3.07 -2.00 -1.83 114.58 116.22 3hmm h GLU 100 Ca 0.15 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 3hmm h GLU 100 Cb 0.09 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3hmm h GLU 100 CO -0.13 0.82 0.05 0.78 -1.40 0.00 0.00 179.01 179.13 3hmm h GLY 101 N 1.14 1.10 0.91 -3.84 0.00 -1.64 -2.07 103.07 98.66 3hmm h GLY 101 Ca 0.28 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3hmm h GLY 101 CO -0.04 0.71 0.11 1.98 0.00 0.00 0.00 176.54 179.30 3hmm h MET 102 N 0.92 0.47 -0.90 4.80 1.85 -0.48 -2.10 114.93 119.49 3hmm h MET 102 Ca 0.18 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 3hmm h MET 102 Cb 0.49 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.41 3hmm h MET 102 CO 0.02 0.49 0.52 0.82 -0.40 0.00 0.00 176.91 178.37 3hmm h ILE 103 N 0.34 1.25 -0.47 1.77 2.04 -1.23 -0.95 117.51 120.26 3hmm h ILE 103 Ca 0.10 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 3hmm h ILE 103 Cb 0.21 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3hmm h ILE 103 CO -0.01 0.27 0.16 0.50 0.00 0.00 0.00 178.15 179.08 3hmm h LYS 104 N 1.25 0.73 -0.34 2.37 3.64 -1.18 0.31 116.57 123.35 3hmm h LYS 104 Ca 0.32 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3hmm h LYS 104 Cb -0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3hmm h LYS 104 CO -0.06 0.68 0.11 -0.07 -2.27 0.00 0.00 179.45 177.84 3hmm h LEU 105 N 0.63 0.50 -0.23 5.20 3.38 -1.02 -0.93 115.31 122.83 3hmm h LEU 105 Ca 0.15 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3hmm h LEU 105 Cb 0.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hmm h LEU 105 CO -0.01 0.57 -0.19 0.00 0.09 0.00 0.00 178.44 178.90 3hmm h ALA 106 N 0.95 0.34 -0.36 1.53 0.00 -1.04 -2.44 119.26 118.24 3hmm h ALA 106 Ca 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hmm h ALA 106 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hmm h ALA 106 CO -0.00 0.27 0.18 1.25 0.00 0.00 0.00 179.25 180.94 3hmm h LEU 107 N 0.25 0.46 -0.78 0.00 5.85 -0.35 -1.09 115.31 119.64 3hmm h LEU 107 Ca 0.04 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 3hmm h LEU 107 Cb 0.73 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3hmm h LEU 107 CO 0.05 0.45 0.21 0.77 -0.34 0.00 0.00 178.44 179.57 3hmm h SER 108 N 0.44 1.06 -0.28 1.25 4.64 -1.20 0.29 113.55 119.75 3hmm h SER 108 Ca 0.12 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3hmm h SER 108 Cb 0.10 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3hmm h SER 108 CO -0.02 0.99 0.06 0.74 -0.87 0.00 0.00 176.83 177.74 3hmm h THR 109 N 1.08 1.22 -0.48 2.95 2.02 -1.29 -1.31 112.91 117.10 3hmm h THR 109 Ca 0.23 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 3hmm h THR 109 Cb 0.32 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3hmm h THR 109 CO -0.00 0.24 0.07 0.00 0.37 0.00 0.00 175.52 176.20 3hmm h ALA 110 N 0.89 1.24 -0.41 6.16 0.00 -0.92 -1.18 119.26 125.04 3hmm h ALA 110 Ca 0.09 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3hmm h ALA 110 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hmm h ALA 110 CO 0.00 0.52 -0.15 0.77 0.00 0.00 0.00 179.25 180.39 3hmm h SER 111 N 0.71 0.76 -0.43 0.00 0.02 -0.73 0.14 113.55 114.01 3hmm h SER 111 Ca 0.15 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 3hmm h SER 111 Cb 0.33 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3hmm h SER 111 CO 0.00 0.92 -0.24 1.23 -1.14 0.00 0.00 176.83 177.60 3hmm h GLY 112 N 0.97 1.03 1.54 -3.77 0.00 -0.63 -1.49 103.07 100.73 3hmm h GLY 112 Ca 0.11 -0.92 -0.16 0.00 0.00 0.00 0.00 47.33 46.36 3hmm h GLY 112 CO 0.04 0.84 -0.57 -2.00 0.00 0.00 0.00 176.54 174.86 3hmm h LEU 113 N 0.81 0.53 -1.03 3.11 5.85 -1.04 -1.54 115.31 122.00 3hmm h LEU 113 Ca 0.10 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3hmm h LEU 113 Cb 0.81 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3hmm h LEU 113 CO 0.07 0.99 -0.19 0.00 -0.34 0.00 0.00 178.44 178.96 3hmm h ALA 114 N 1.02 1.19 -0.22 1.25 0.00 -0.81 0.07 119.26 121.76 3hmm h ALA 114 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3hmm h ALA 114 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hmm h ALA 114 CO 0.10 0.52 -0.11 1.25 0.00 0.00 0.00 179.25 181.02 3hmm h HIS 115 N 0.43 0.53 -0.06 0.00 -0.00 -1.03 -0.12 115.15 114.89 3hmm h HIS 115 Ca 0.07 -0.13 0.01 0.00 -0.00 0.00 0.00 60.37 60.32 3hmm h HIS 115 Cb 0.58 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 3hmm h HIS 115 CO 0.02 0.74 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.59 3hmm h LEU 116 N 0.17 -0.09 -1.27 0.26 3.38 -0.90 -2.91 115.31 113.95 3hmm h LEU 116 Ca 0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3hmm h LEU 116 Cb 0.60 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hmm h LEU 116 CO 0.03 -0.04 -0.36 0.45 0.09 0.00 0.00 178.44 178.62 3hmm h HIS 117 N -0.02 0.01 -3.30 1.13 3.86 -0.89 0.23 115.15 116.18 3hmm h HIS 117 Ca 0.03 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.72 3hmm h HIS 117 Cb 0.07 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.55 3hmm h HIS 117 CO -0.13 0.37 0.57 1.41 0.86 0.00 0.00 177.93 181.00 3hmm s MET 118 N -4.22 4.45 -0.10 2.45 -2.45 -0.06 -4.23 119.30 115.14 3hmm s MET 118 Ca -0.03 1.83 -0.19 0.00 -1.25 0.00 0.00 55.69 56.06 3hmm s MET 118 Cb 0.14 -3.30 -0.04 0.00 1.25 0.00 0.00 34.83 32.89 3hmm s MET 118 CO 0.73 -0.19 0.50 -2.00 1.05 0.00 0.00 175.02 175.11 3hmm s GLU 119 N 0.52 4.34 -0.40 4.11 2.12 -1.26 -4.28 118.70 123.84 3hmm s GLU 119 Ca 0.57 0.51 -0.12 0.00 0.36 0.00 0.00 54.97 56.29 3hmm s GLU 119 Cb -0.31 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 30.70 3hmm s GLU 119 CO 0.32 0.18 0.25 0.42 -0.54 0.00 0.00 175.26 175.89 3hmm s ILE 120 N 0.55 4.64 0.22 -3.70 1.01 0.10 -4.95 121.20 119.07 3hmm s ILE 120 Ca 0.27 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 3hmm s ILE 120 Cb -0.16 -3.68 -0.08 0.00 0.01 0.00 0.00 42.46 38.55 3hmm s ILE 120 CO 0.12 -0.36 1.00 -0.69 0.00 0.00 0.00 174.94 175.01 3hmm s VAL 121 N 1.55 3.99 0.00 2.92 1.01 -1.26 -0.70 120.40 127.90 3hmm s VAL 121 Ca 0.03 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.90 3hmm s VAL 121 Cb -0.21 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3hmm s VAL 121 CO 0.06 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3hmm n GLY 122 N 1.64 0.85 0.35 4.51 0.00 -1.26 -4.85 105.19 106.44 3hmm n GLY 122 Ca -0.00 -1.38 0.02 0.00 0.00 0.00 0.00 46.02 44.66 3hmm n GLY 122 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hmm h THR 123 N 3.12 1.16 -2.51 2.61 1.35 -2.06 -2.12 112.91 114.46 3hmm h THR 123 Ca 0.00 -0.34 -0.71 0.00 -0.55 0.00 0.00 66.41 64.81 3hmm h THR 123 Cb 0.00 0.08 -0.34 0.00 -1.73 0.00 0.00 68.15 66.16 3hmm h THR 123 CO 0.00 0.18 0.19 0.00 -0.25 0.00 0.00 175.52 175.64 3hmm n GLN 124 N -4.44 3.80 -3.13 4.72 1.13 -1.26 -5.05 117.38 113.15 3hmm n GLN 124 Ca 0.09 -4.65 -0.34 0.00 -1.94 0.00 0.00 57.00 50.16 3hmm n GLN 124 Cb 0.07 -2.39 -0.06 0.00 0.11 0.00 0.00 30.24 27.97 3hmm n GLN 124 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3hmm s GLY 125 N -2.17 2.46 -0.21 1.08 0.00 -0.80 -4.75 107.32 102.93 3hmm s GLY 125 Ca 0.37 0.08 -0.07 0.00 0.00 0.00 0.00 44.72 45.10 3hmm s GLY 125 CO 0.01 0.36 0.06 1.25 0.00 0.00 0.00 173.10 174.78 3hmm s LYS 126 N -2.51 3.83 0.57 2.90 2.20 0.12 -4.73 119.74 122.13 3hmm s LYS 126 Ca 0.49 -0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.53 3hmm s LYS 126 Cb -0.13 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 3hmm s LYS 126 CO 0.19 0.10 1.03 -1.25 -0.36 0.00 0.00 175.35 175.06 3hmm s PRO 127 N 0.84 3.55 0.39 4.03 0.04 -1.26 0.02 135.00 142.60 3hmm s PRO 127 Ca 0.03 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.89 3hmm s PRO 127 Cb -0.14 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3hmm s PRO 127 CO 0.02 -0.61 1.25 0.00 0.04 0.00 0.00 177.00 177.70 3hmm s ALA 128 N -2.59 3.25 -0.01 8.56 0.00 -1.26 -4.71 121.76 125.01 3hmm s ALA 128 Ca 0.61 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.73 3hmm s ALA 128 Cb -0.13 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 3hmm s ALA 128 CO 0.37 -0.69 -0.08 0.42 0.00 0.00 0.00 175.76 175.77 3hmm s ILE 129 N -1.29 0.64 -0.06 0.00 1.01 0.82 -0.69 121.20 121.62 3hmm s ILE 129 Ca 0.56 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.91 3hmm s ILE 129 Cb -0.36 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 3hmm s ILE 129 CO 0.46 0.19 -0.12 0.00 0.00 0.00 0.00 174.94 175.47 3hmm s ALA 130 N -0.05 2.76 -0.07 9.38 0.00 -0.31 -2.99 121.76 130.48 3hmm s ALA 130 Ca 0.01 -0.95 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 3hmm s ALA 130 Cb -0.05 -1.06 -0.21 0.00 0.00 0.00 0.00 23.12 21.80 3hmm s ALA 130 CO -0.00 0.54 0.98 1.25 0.00 0.00 0.00 175.76 178.53 3hmm h HIS 131 N 5.40 -0.05 0.00 0.00 2.76 -1.88 -0.89 115.15 120.49 3hmm h HIS 131 Ca -0.46 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 3hmm h HIS 131 Cb 1.16 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3hmm h HIS 131 CO 0.52 0.58 0.00 0.54 -1.30 0.00 0.00 177.93 178.27 3hmm n ARG 132 N -4.79 0.00 -2.72 5.26 1.74 -1.26 -3.06 116.66 111.83 3hmm n ARG 132 Ca -0.09 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.97 3hmm n ARG 132 Cb 0.32 -2.72 0.10 0.00 -1.02 0.00 0.00 32.46 29.14 3hmm n ARG 132 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hmm n ASP 133 N 0.00 -0.58 -4.73 0.55 2.03 -1.26 -4.32 116.55 108.24 3hmm n ASP 133 Ca 0.00 -2.21 -0.41 0.00 0.52 0.00 0.00 54.79 52.68 3hmm n ASP 133 Cb 0.00 0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 3hmm n ASP 133 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3hmm s LEU 134 N -3.90 4.42 0.14 -2.67 2.96 -1.26 -4.85 118.68 113.52 3hmm s LEU 134 Ca 0.16 2.27 -0.25 0.00 -0.22 0.00 0.00 54.13 56.09 3hmm s LEU 134 Cb 0.41 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.56 3hmm s LEU 134 CO -0.09 -0.47 0.90 -1.59 -1.32 0.00 0.00 176.35 173.78 3hmm s LYS 135 N 0.11 1.21 0.52 1.98 -2.85 -1.26 -4.80 119.74 114.64 3hmm s LYS 135 Ca 0.56 -0.64 0.27 0.00 -1.00 0.00 0.00 55.97 55.17 3hmm s LYS 135 Cb -0.34 0.44 1.41 0.00 -2.06 0.00 0.00 37.83 37.28 3hmm s LYS 135 CO 0.36 -0.55 2.05 0.66 0.10 0.00 0.00 175.35 177.97 3hmm h SER 136 N 2.00 0.00 1.30 0.03 4.64 -1.94 -2.64 113.55 116.94 3hmm h SER 136 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hmm h SER 136 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hmm h SER 136 CO 0.26 0.13 0.00 0.11 -0.87 0.00 0.00 176.83 176.46 3hmm h LYS 137 N 0.00 0.00 -0.02 4.77 1.57 -1.96 -1.52 116.57 119.41 3hmm h LYS 137 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3hmm h LYS 137 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hmm h LYS 137 CO 0.02 0.00 -0.14 0.27 -0.57 0.00 0.00 179.45 179.02 3hmm n ASN 138 N -2.65 2.25 -4.44 0.86 2.04 -1.00 -4.77 115.26 107.55 3hmm n ASN 138 Ca 0.03 -3.34 -0.33 0.00 -0.44 0.00 0.00 54.58 50.50 3hmm n ASN 138 Cb 0.37 -0.47 -0.13 0.00 -2.53 0.00 0.00 39.78 37.02 3hmm n ASN 138 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3hmm s ILE 139 N -2.99 3.11 0.09 1.53 1.01 -1.19 -1.24 121.20 121.51 3hmm s ILE 139 Ca 0.35 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.38 3hmm s ILE 139 Cb 0.31 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3hmm s ILE 139 CO 0.00 0.56 -0.11 -0.76 0.00 0.00 0.00 174.94 174.63 3hmm s LEU 140 N -0.30 2.97 -0.23 2.97 1.43 0.45 0.22 118.68 126.20 3hmm s LEU 140 Ca 0.03 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 3hmm s LEU 140 Cb -0.13 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3hmm s LEU 140 CO 0.03 0.20 0.09 -0.69 0.23 0.00 0.00 176.35 176.20 3hmm s VAL 141 N -1.15 4.69 0.65 -1.59 1.01 -0.72 -0.88 120.40 122.40 3hmm s VAL 141 Ca 0.20 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 3hmm s VAL 141 Cb -0.11 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.11 3hmm s VAL 141 CO 0.12 0.37 1.00 -0.54 0.00 0.00 0.00 175.10 176.05 3hmm s LYS 142 N 1.14 2.93 0.53 2.72 1.02 0.71 -4.18 119.74 124.60 3hmm s LYS 142 Ca 0.05 0.26 0.22 0.00 0.02 0.00 0.00 55.97 56.52 3hmm s LYS 142 Cb -0.14 -2.14 1.35 0.00 -0.52 0.00 0.00 37.83 36.38 3hmm s LYS 142 CO 0.04 -0.85 2.05 -0.22 -0.92 0.00 0.00 175.35 175.44 3hmm h LYS 143 N -0.41 0.01 -0.08 1.68 3.64 -1.97 -0.68 116.57 118.75 3hmm h LYS 143 Ca -0.45 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3hmm h LYS 143 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3hmm h LYS 143 CO 0.62 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.08 3hmm n ASN 144 N -4.43 0.55 0.00 4.20 6.94 -1.26 -4.89 115.26 116.36 3hmm n ASN 144 Ca 0.05 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.83 3hmm n ASN 144 Cb 0.43 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 3hmm n ASN 144 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hmm n GLY 145 N 0.77 0.67 3.86 4.83 0.00 -0.26 -5.05 105.19 110.00 3hmm n GLY 145 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3hmm n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hmm s THR 146 N -2.37 4.01 0.23 2.61 -4.23 -1.26 -4.15 115.64 110.49 3hmm s THR 146 Ca 0.00 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 3hmm s THR 146 Cb 0.00 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 3hmm s THR 146 CO 0.00 -0.25 0.20 0.00 -0.54 0.00 0.00 174.62 174.03 3hmm s ILE 149 N -0.16 4.74 0.00 0.00 1.01 0.23 -0.41 121.20 126.61 3hmm s ILE 149 Ca -0.01 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.11 3hmm s ILE 149 Cb -0.01 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3hmm s ILE 149 CO -0.00 0.42 0.00 0.00 0.00 0.00 0.00 174.94 175.36 3hmm n ALA 150 N 2.51 0.00 -3.38 9.38 0.00 -0.37 -0.67 120.51 127.98 3hmm n ALA 150 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 3hmm n ALA 150 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 3hmm n ALA 150 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hmm n ASP 151 N -1.52 -6.48 -1.20 0.00 2.03 -1.26 -4.85 116.55 103.28 3hmm n ASP 151 Ca 0.00 -0.58 0.08 0.00 0.52 0.00 0.00 54.79 54.81 3hmm n ASP 151 Cb 0.00 -4.17 0.27 0.00 -0.72 0.00 0.00 41.12 36.50 3hmm n ASP 151 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hmm n LEU 152 N -2.77 3.49 0.31 -2.67 4.77 -1.26 -4.52 117.00 114.35 3hmm n LEU 152 Ca -0.09 -1.76 0.18 0.00 -0.03 0.00 0.00 56.01 54.31 3hmm n LEU 152 Cb 0.58 -0.46 1.01 0.00 -2.33 0.00 0.00 43.42 42.22 3hmm n LEU 152 CO 0.59 0.68 1.14 1.23 -1.33 0.00 0.00 177.39 179.70 3hmm h GLY 153 N 4.62 0.00 -2.00 -0.72 0.00 -1.90 -2.03 103.07 101.04 3hmm h GLY 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hmm h GLY 153 CO 0.12 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.70 3hmm n LEU 154 N -3.55 3.33 -4.73 3.11 4.77 -1.26 -4.56 117.00 114.11 3hmm n LEU 154 Ca -0.03 -1.76 -0.33 0.00 -0.03 0.00 0.00 56.01 53.86 3hmm n LEU 154 Cb 0.09 -0.30 0.10 0.00 -2.33 0.00 0.00 43.42 40.98 3hmm n LEU 154 CO 0.25 0.79 0.75 0.00 -1.33 0.00 0.00 177.39 177.84 3hmm s ALA 155 N -1.14 2.06 0.00 -1.18 0.00 -0.77 -4.66 121.76 116.08 3hmm s ALA 155 Ca 0.35 0.68 0.06 0.00 0.00 0.00 0.00 51.96 53.05 3hmm s ALA 155 Cb 0.19 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3hmm s ALA 155 CO 0.26 -1.95 -0.18 0.14 0.00 0.00 0.00 175.76 174.04 3hmm s VAL 156 N -2.31 1.39 -0.09 0.00 -7.23 -0.34 -4.97 120.40 106.85 3hmm s VAL 156 Ca 0.70 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 3hmm s VAL 156 Cb -0.25 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 3hmm s VAL 156 CO 0.49 0.31 -0.05 -0.13 -0.31 0.00 0.00 175.10 175.41 3hmm s ARG 157 N -0.62 3.00 -0.06 4.82 0.52 -1.26 -1.17 118.95 124.18 3hmm s ARG 157 Ca 0.06 -0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 54.69 3hmm s ARG 157 Cb -0.07 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 3hmm s ARG 157 CO -0.00 0.58 0.21 -1.58 0.02 0.00 0.00 175.30 174.53 3hmm s HIS 158 N -0.57 3.60 -0.52 -0.53 5.65 0.13 -1.62 115.29 121.44 3hmm s HIS 158 Ca 0.09 0.58 -0.05 0.00 0.25 0.00 0.00 55.06 55.93 3hmm s HIS 158 Cb -0.12 -1.98 0.14 0.00 -1.18 0.00 0.00 32.58 29.43 3hmm s HIS 158 CO 0.02 0.68 0.35 0.34 -0.65 0.00 0.00 174.74 175.48 3hmm s ASP 159 N -1.33 5.41 0.39 9.88 2.15 -0.06 -4.07 116.67 129.05 3hmm s ASP 159 Ca 0.21 -2.34 0.14 0.00 0.43 0.00 0.00 52.55 51.00 3hmm s ASP 159 Cb -0.13 -1.89 0.98 0.00 -0.30 0.00 0.00 42.92 41.58 3hmm s ASP 159 CO 0.10 -0.51 1.85 0.77 -0.17 0.00 0.00 175.17 177.21 3hmm h SER 160 N 7.75 0.51 -0.86 -0.34 4.64 -1.96 0.48 113.55 123.77 3hmm h SER 160 Ca -0.09 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.33 3hmm h SER 160 Cb 1.02 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.00 3hmm h SER 160 CO 0.74 0.21 0.54 0.00 -0.87 0.00 0.00 176.83 177.45 3hmm h ALA 161 N 1.61 1.17 -0.01 5.18 0.00 -1.97 -3.15 119.26 122.10 3hmm h ALA 161 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3hmm h ALA 161 Cb 1.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3hmm h ALA 161 CO -0.21 0.32 -0.10 0.25 0.00 0.00 0.00 179.25 179.50 3hmm n THR 162 N -4.59 0.00 -3.60 0.00 -2.24 -0.93 -5.01 114.28 97.90 3hmm n THR 162 Ca 0.12 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 3hmm n THR 162 Cb 0.15 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 69.54 3hmm n THR 162 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hmm n ASP 163 N -0.12 -1.86 -4.38 3.42 2.03 0.17 -5.01 116.55 110.79 3hmm n ASP 163 Ca 0.03 -0.73 -0.19 0.00 0.52 0.00 0.00 54.79 54.42 3hmm n ASP 163 Cb 0.15 -4.50 -0.10 0.00 -0.72 0.00 0.00 41.12 35.95 3hmm n ASP 163 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hmm s THR 164 N -3.52 1.50 0.06 5.18 -4.23 -1.17 -4.84 115.64 108.62 3hmm s THR 164 Ca 0.05 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.49 3hmm s THR 164 Cb -0.03 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 3hmm s THR 164 CO 0.78 -0.39 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.81 3hmm s ILE 165 N -3.11 3.86 -0.82 2.99 1.01 -1.26 -0.88 121.20 122.99 3hmm s ILE 165 Ca 0.27 -0.92 0.13 0.00 0.00 0.00 0.00 60.65 60.13 3hmm s ILE 165 Cb 0.03 -2.78 0.12 0.00 0.01 0.00 0.00 42.46 39.84 3hmm s ILE 165 CO 0.10 0.22 1.41 -0.90 0.00 0.00 0.00 174.94 175.76 3hmm n ASP 166 N 0.93 0.19 -2.06 3.58 5.75 -0.64 -4.82 116.55 119.48 3hmm n ASP 166 Ca -0.13 0.56 -0.09 0.00 -0.01 0.00 0.00 54.79 55.12 3hmm n ASP 166 Cb 0.52 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 3hmm n ASP 166 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3hmm n ILE 167 N -1.72 0.00 0.00 2.12 -5.35 -1.26 -5.04 119.36 108.11 3hmm n ILE 167 Ca 0.02 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 3hmm n ILE 167 Cb 0.12 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 3hmm n ILE 167 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hmm n ALA 168 N -1.90 0.00 0.00 -1.28 0.00 -1.26 -5.08 120.51 110.98 3hmm n ALA 168 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hmm n ALA 168 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3hmm n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmm n GLY 174 N -0.22 -0.60 3.66 0.00 0.00 -1.26 -5.12 105.19 101.66 3hmm n GLY 174 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3hmm n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hmm s THR 175 N -3.00 4.67 0.23 2.61 2.01 -1.26 -4.95 115.64 115.95 3hmm s THR 175 Ca 0.00 2.01 -0.09 0.00 0.31 0.00 0.00 61.69 63.92 3hmm s THR 175 Cb 0.00 -4.30 0.23 0.00 0.01 0.00 0.00 72.50 68.45 3hmm s THR 175 CO 0.00 -0.16 1.65 0.11 -0.69 0.00 0.00 174.62 175.54 3hmm h LYS 176 N 7.44 0.12 -0.87 4.92 6.56 -1.96 -2.20 116.57 130.58 3hmm h LYS 176 Ca -0.21 -0.01 0.12 0.00 -1.06 0.00 0.00 60.65 59.49 3hmm h LYS 176 Cb 1.07 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 32.64 3hmm h LYS 176 CO 0.97 0.08 0.56 -0.09 -2.06 0.00 0.00 179.45 178.91 3hmm h ARG 177 N 0.12 0.74 -0.10 3.15 2.43 -1.92 -2.14 114.38 116.67 3hmm h ARG 177 Ca 0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3hmm h ARG 177 Cb 0.61 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3hmm h ARG 177 CO -0.58 0.49 0.00 0.66 -1.51 0.00 0.00 179.97 179.03 3hmm n TYR 178 N -4.54 0.11 -1.89 2.20 4.01 -0.87 -4.96 117.16 111.21 3hmm n TYR 178 Ca 0.16 -0.05 -0.41 0.00 -0.16 0.00 0.00 57.90 57.43 3hmm n TYR 178 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.40 3hmm n TYR 178 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3hmm s MET 179 N -1.89 4.19 0.72 -0.72 -1.94 -0.81 -4.45 119.30 114.40 3hmm s MET 179 Ca 0.33 2.45 -0.13 0.00 -1.71 0.00 0.00 55.69 56.64 3hmm s MET 179 Cb 0.20 -3.04 0.03 0.00 2.01 0.00 0.00 34.83 34.04 3hmm s MET 179 CO 0.31 -0.49 1.11 0.00 -0.01 0.00 0.00 175.02 175.94 3hmm s ALA 180 N -0.44 2.33 0.19 3.03 0.00 -1.26 -4.76 121.76 120.84 3hmm s ALA 180 Ca 0.58 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 3hmm s ALA 180 Cb -0.45 -3.31 0.15 0.00 0.00 0.00 0.00 23.12 19.52 3hmm s ALA 180 CO 0.51 -1.57 1.64 -1.35 0.00 0.00 0.00 175.76 174.99 3hmm h PRO 181 N -0.55 -0.05 0.00 0.00 0.11 -1.92 0.47 132.00 130.06 3hmm h PRO 181 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3hmm h PRO 181 Cb 1.24 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hmm h PRO 181 CO 0.52 -0.03 -0.04 1.05 -0.21 0.00 0.00 178.00 179.29 3hmm h GLU 182 N -0.05 0.00 0.19 1.05 9.09 -1.92 -1.78 114.58 121.15 3hmm h GLU 182 Ca 0.24 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.38 3hmm h GLU 182 Cb 0.41 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.54 3hmm h GLU 182 CO -0.54 0.04 -1.26 0.28 0.05 0.00 0.00 179.01 177.59 3hmm h VAL 183 N 0.00 1.29 -0.77 -1.06 2.07 -1.33 -1.08 116.25 115.37 3hmm h VAL 183 Ca -0.00 -2.57 -0.02 0.00 0.82 0.00 0.00 66.70 64.93 3hmm h VAL 183 Cb 0.18 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 3hmm h VAL 183 CO 0.01 0.77 0.42 -0.07 0.02 0.00 0.00 177.57 178.71 3hmm h LEU 184 N -0.12 0.96 -2.42 2.57 3.38 -0.47 -2.57 115.31 116.64 3hmm h LEU 184 Ca -0.23 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hmm h LEU 184 Cb 1.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3hmm h LEU 184 CO 0.19 0.77 0.00 -0.90 0.09 0.00 0.00 178.44 178.59 3hmm n ASP 185 N -4.35 3.52 -1.95 -0.43 5.68 -0.73 -4.87 116.55 113.43 3hmm n ASP 185 Ca 0.08 -2.00 -0.18 0.00 -0.50 0.00 0.00 54.79 52.19 3hmm n ASP 185 Cb 0.10 -0.43 -0.04 0.00 -1.14 0.00 0.00 41.12 39.61 3hmm n ASP 185 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3hmm n ASP 186 N 1.43 -4.94 0.03 -1.12 9.92 -0.97 -4.85 116.55 116.05 3hmm n ASP 186 Ca 0.22 0.26 0.12 0.00 -0.53 0.00 0.00 54.79 54.86 3hmm n ASP 186 Cb 0.56 -4.29 0.24 0.00 -0.64 0.00 0.00 41.12 36.99 3hmm n ASP 186 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3hmm n SER 187 N -1.47 0.57 -4.77 -2.24 3.41 -0.51 -4.92 113.62 103.70 3hmm n SER 187 Ca -0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.01 3hmm n SER 187 Cb 0.62 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 3hmm n SER 187 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3hmm s ILE 188 N -3.09 2.39 -0.63 -1.33 2.07 -0.62 -4.95 121.20 115.04 3hmm s ILE 188 Ca 0.09 0.38 -0.21 0.00 -1.41 0.00 0.00 60.65 59.50 3hmm s ILE 188 Cb 0.15 -3.24 0.09 0.00 0.13 0.00 0.00 42.46 39.59 3hmm s ILE 188 CO 0.70 0.09 0.84 0.21 -1.91 0.00 0.00 174.94 174.86 3hmm s ASN 189 N -0.20 6.18 0.00 4.50 3.84 -1.26 -4.90 114.94 123.10 3hmm s ASN 189 Ca 0.52 -1.20 0.19 0.00 0.21 0.00 0.00 52.86 52.58 3hmm s ASN 189 Cb -0.43 -2.36 1.06 0.00 -0.55 0.00 0.00 41.25 38.96 3hmm s ASN 189 CO 0.56 -1.28 1.57 0.23 -2.79 0.00 0.00 177.10 175.39 3hmm n MET 190 N 7.04 0.44 0.00 0.43 2.81 -1.26 -1.71 117.12 124.87 3hmm n MET 190 Ca -0.07 0.06 0.12 0.00 -1.81 0.00 0.00 57.70 56.00 3hmm n MET 190 Cb 0.44 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.71 3hmm n MET 190 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hmm n LYS 191 N -1.15 0.27 -3.47 0.03 5.02 -1.26 -4.70 118.16 112.90 3hmm n LYS 191 Ca 0.12 -0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 3hmm n LYS 191 Cb 0.11 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.54 3hmm n LYS 191 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hmm s HIS 192 N -2.85 3.29 0.28 2.13 2.46 -0.69 -4.87 115.29 115.04 3hmm s HIS 192 Ca 0.15 -1.21 0.01 0.00 0.47 0.00 0.00 55.06 54.48 3hmm s HIS 192 Cb 0.18 -3.14 0.58 0.00 -0.13 0.00 0.00 32.58 30.07 3hmm s HIS 192 CO 0.66 -0.84 1.81 0.35 -2.47 0.00 0.00 174.74 174.25 3hmm h PHE 193 N 8.62 1.04 -0.56 3.88 3.57 -1.84 -1.21 116.94 130.44 3hmm h PHE 193 Ca -0.26 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.42 3hmm h PHE 193 Cb 1.10 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3hmm h PHE 193 CO 0.63 0.34 0.39 1.49 -2.23 0.00 0.00 178.31 178.94 3hmm h GLU 194 N 0.86 0.06 -0.23 1.11 4.57 -1.93 0.21 114.58 119.23 3hmm h GLU 194 Ca 0.50 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.61 3hmm h GLU 194 Cb 0.60 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 3hmm h GLU 194 CO -0.31 0.04 -0.17 0.77 -1.18 0.00 0.00 179.01 178.16 3hmm h SER 195 N 0.06 0.38 -0.24 1.04 0.02 -1.51 -1.71 113.55 111.59 3hmm h SER 195 Ca 0.27 -0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 3hmm h SER 195 Cb 0.97 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3hmm h SER 195 CO -0.02 0.57 -0.44 -0.26 -1.14 0.00 0.00 176.83 175.54 3hmm h PHE 196 N 0.36 0.98 -0.21 3.45 0.04 -1.05 -1.64 116.94 118.87 3hmm h PHE 196 Ca 0.07 -0.31 -0.00 0.00 2.80 0.00 0.00 57.97 60.52 3hmm h PHE 196 Cb 0.51 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3hmm h PHE 196 CO 0.01 1.10 0.11 0.87 -0.60 0.00 0.00 178.31 179.80 3hmm h LYS 197 N 0.65 0.29 -0.93 1.51 1.57 -1.25 -2.03 116.57 116.38 3hmm h LYS 197 Ca 0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3hmm h LYS 197 Cb 1.01 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 3hmm h LYS 197 CO 0.10 0.28 0.61 0.00 -0.57 0.00 0.00 179.45 179.87 3hmm h ARG 198 N 0.22 1.22 -0.24 3.15 3.08 -1.24 -1.54 114.38 119.04 3hmm h ARG 198 Ca 0.07 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3hmm h ARG 198 Cb 0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3hmm h ARG 198 CO -0.01 0.82 -0.08 0.00 -1.07 0.00 0.00 179.97 179.62 3hmm h ALA 199 N 1.41 1.42 -0.57 0.04 0.00 -0.99 -2.16 119.26 118.41 3hmm h ALA 199 Ca 0.34 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hmm h ALA 199 Cb -0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hmm h ALA 199 CO -0.07 0.41 0.04 -0.44 0.00 0.00 0.00 179.25 179.18 3hmm h ASP 200 N 0.36 0.91 -0.77 0.00 3.32 -0.57 -2.84 116.42 116.84 3hmm h ASP 200 Ca 0.08 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3hmm h ASP 200 Cb 0.37 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3hmm h ASP 200 CO 0.02 0.95 0.47 0.40 -1.72 0.00 0.00 179.24 179.36 3hmm h ILE 201 N 0.88 1.22 -0.42 0.35 1.08 -0.94 -0.27 117.51 119.41 3hmm h ILE 201 Ca 0.17 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.19 3hmm h ILE 201 Cb 0.47 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 3hmm h ILE 201 CO 0.02 0.22 0.25 0.22 -0.69 0.00 0.00 178.15 178.18 3hmm h TYR 202 N 1.05 0.48 -0.60 1.37 3.20 -1.31 0.07 116.97 121.24 3hmm h TYR 202 Ca 0.28 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 3hmm h TYR 202 Cb -0.05 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3hmm h TYR 202 CO -0.01 0.28 0.15 0.00 -1.64 0.00 0.00 178.16 176.95 3hmm h ALA 203 N 1.18 0.79 -0.21 1.82 0.00 -1.19 -1.92 119.26 119.74 3hmm h ALA 203 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hmm h ALA 203 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hmm h ALA 203 CO -0.07 0.49 0.03 1.98 0.00 0.00 0.00 179.25 181.68 3hmm h MET 204 N 0.87 0.29 -0.64 0.00 1.85 -0.51 -1.11 114.93 115.68 3hmm h MET 204 Ca 0.19 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.25 3hmm h MET 204 Cb 0.34 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.28 3hmm h MET 204 CO 0.00 0.30 0.42 0.78 -0.40 0.00 0.00 176.91 178.00 3hmm h GLY 205 N 0.52 0.91 1.00 1.39 0.00 -0.21 0.54 103.07 107.22 3hmm h GLY 205 Ca 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3hmm h GLY 205 CO -0.00 0.30 0.25 1.41 0.00 0.00 0.00 176.54 178.50 3hmm h LEU 206 N 0.84 0.84 -0.58 3.11 3.38 -0.86 -2.20 115.31 119.85 3hmm h LEU 206 Ca 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hmm h LEU 206 Cb -0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3hmm h LEU 206 CO -0.07 0.78 0.37 0.58 0.09 0.00 0.00 178.44 180.19 3hmm h VAL 207 N 0.86 1.16 -0.85 1.22 2.07 -0.70 -1.81 116.25 118.19 3hmm h VAL 207 Ca 0.21 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3hmm h VAL 207 Cb 0.20 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 3hmm h VAL 207 CO -0.02 0.16 0.55 -0.26 0.02 0.00 0.00 177.57 178.02 3hmm h PHE 208 N 0.79 0.95 -0.80 1.57 -1.00 -0.52 -0.50 116.94 117.43 3hmm h PHE 208 Ca 0.21 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 3hmm h PHE 208 Cb -0.06 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.15 3hmm h PHE 208 CO -0.03 0.49 0.32 2.35 -1.61 0.00 0.00 178.31 179.83 3hmm h TRP 209 N 0.93 1.21 -0.77 -0.55 7.01 -0.74 -0.91 115.95 122.12 3hmm h TRP 209 Ca 0.37 -0.09 -0.05 0.00 2.11 0.00 0.00 58.89 61.23 3hmm h TRP 209 Cb 0.25 -0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 3hmm h TRP 209 CO -0.00 0.91 0.28 0.93 -2.79 0.00 0.00 178.44 177.78 3hmm h GLU 210 N 1.16 1.17 0.13 2.65 5.08 -0.44 -2.82 114.58 121.51 3hmm h GLU 210 Ca 0.27 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3hmm h GLU 210 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3hmm h GLU 210 CO -0.02 0.97 -0.06 0.82 -1.00 0.00 0.00 179.01 179.72 3hmm h ILE 211 N 1.13 1.03 -0.95 3.13 2.04 -0.95 -3.23 117.51 119.71 3hmm h ILE 211 Ca 0.25 -0.71 0.17 0.00 1.00 0.00 0.00 64.86 65.57 3hmm h ILE 211 Cb 0.25 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 3hmm h ILE 211 CO -0.02 0.17 0.60 0.00 0.00 0.00 0.00 178.15 178.91 3hmm h ALA 212 N 0.30 1.81 -0.36 1.87 0.00 -1.14 0.01 119.26 121.75 3hmm h ALA 212 Ca -0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hmm h ALA 212 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hmm h ALA 212 CO 0.03 -0.11 0.24 0.00 0.00 0.00 0.00 179.25 179.41 3hmm h ARG 213 N 0.70 0.34 -0.04 0.00 3.08 -1.51 -1.66 114.38 115.29 3hmm h ARG 213 Ca 0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3hmm h ARG 213 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3hmm h ARG 213 CO -0.27 0.23 0.00 0.54 -1.07 0.00 0.00 179.97 179.40 3hmm n ARG 214 N -4.48 1.51 -2.36 0.04 5.12 -0.02 -1.56 116.66 114.91 3hmm n ARG 214 Ca 0.04 -0.74 -0.42 0.00 -1.93 0.00 0.00 57.85 54.80 3hmm n ARG 214 Cb 0.17 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 29.99 3hmm n ARG 214 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hmm s SER 216 N 4.60 6.46 -0.22 0.00 0.15 0.58 -4.65 113.70 120.63 3hmm s SER 216 Ca 0.55 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.76 3hmm s SER 216 Cb -0.11 -2.27 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 3hmm s SER 216 CO 0.26 -0.21 -0.08 -0.63 1.20 0.00 0.00 173.24 173.78 3hmm s ILE 217 N 1.88 1.64 -0.83 6.45 1.01 -0.75 -4.65 121.20 125.94 3hmm s ILE 217 Ca 0.21 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 3hmm s ILE 217 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.53 3hmm s ILE 217 CO 0.09 0.04 0.23 0.61 0.00 0.00 0.00 174.94 175.92 3hmm n GLY 218 N 4.66 0.03 2.69 6.18 0.00 -1.26 -2.47 105.19 115.02 3hmm n GLY 218 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3hmm n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmm n GLY 219 N -1.11 0.40 3.63 -0.02 0.00 -1.26 -4.99 105.19 101.84 3hmm n GLY 219 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3hmm n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmm s ILE 220 N -1.98 4.54 0.01 -0.61 -1.09 -1.03 -5.08 121.20 115.96 3hmm s ILE 220 Ca 0.00 -0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 3hmm s ILE 220 Cb 0.00 -3.00 0.10 0.00 -1.58 0.00 0.00 42.46 37.98 3hmm s ILE 220 CO 0.00 0.51 1.12 -1.38 -1.23 0.00 0.00 174.94 173.96 3hmm s HIS 221 N 0.01 -0.12 0.32 3.97 -3.43 -1.26 -1.82 115.29 112.96 3hmm s HIS 221 Ca 0.04 -0.03 -0.02 0.00 -0.80 0.00 0.00 55.06 54.25 3hmm s HIS 221 Cb -0.12 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.55 3hmm s HIS 221 CO 0.01 -0.47 0.55 -1.21 -2.00 0.00 0.00 174.74 171.63 3hmm s GLU 222 N -2.78 3.54 0.66 -0.38 8.01 -0.60 -5.06 118.70 122.09 3hmm s GLU 222 Ca 0.11 -0.19 -0.13 0.00 0.01 0.00 0.00 54.97 54.78 3hmm s GLU 222 Cb 0.01 -2.66 -0.00 0.00 -4.31 0.00 0.00 34.13 27.17 3hmm s GLU 222 CO -0.03 0.17 1.07 -0.51 0.01 0.00 0.00 175.26 175.97 3hmm s ASP 223 N -3.66 5.38 0.34 -0.19 1.01 -1.26 -4.45 116.67 113.84 3hmm s ASP 223 Ca 0.42 1.76 -0.28 0.00 0.71 0.00 0.00 52.55 55.16 3hmm s ASP 223 Cb -0.10 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 3hmm s ASP 223 CO 0.34 -1.44 1.32 -0.47 0.21 0.00 0.00 175.17 175.13 3hmm s TYR 224 N -2.72 2.98 -0.03 4.23 5.04 -1.26 -4.90 117.35 120.70 3hmm s TYR 224 Ca 0.62 1.39 -0.22 0.00 -2.44 0.00 0.00 57.07 56.42 3hmm s TYR 224 Cb -0.16 -3.71 0.04 0.00 0.35 0.00 0.00 41.96 38.48 3hmm s TYR 224 CO 0.47 -1.98 0.47 -0.65 -1.34 0.00 0.00 175.55 172.52 3hmm s GLN 225 N -1.87 0.84 0.41 4.97 -1.52 -1.26 -5.10 119.66 116.14 3hmm s GLN 225 Ca 0.50 -0.00 -0.15 0.00 -1.95 0.00 0.00 55.36 53.76 3hmm s GLN 225 Cb -0.40 0.39 -0.08 0.00 -0.22 0.00 0.00 33.01 32.69 3hmm s GLN 225 CO 0.53 -0.25 0.84 -0.51 -0.25 0.00 0.00 175.29 175.65 3hmm s LEU 226 N -1.28 3.86 0.31 2.90 1.43 -1.26 -4.78 118.68 119.85 3hmm s LEU 226 Ca -0.12 1.36 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 3hmm s LEU 226 Cb -0.03 -4.23 -0.11 0.00 0.03 0.00 0.00 46.19 41.85 3hmm s LEU 226 CO 0.07 -0.39 1.57 -2.16 0.23 0.00 0.00 176.35 175.67 3hmm s PRO 227 N -3.57 4.13 -0.87 1.29 0.04 -1.26 -1.80 135.00 132.95 3hmm s PRO 227 Ca 0.55 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.16 3hmm s PRO 227 Cb -0.10 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3hmm s PRO 227 CO 0.25 -0.60 0.00 0.66 0.04 0.00 0.00 177.00 177.35 3hmm n TYR 228 N 1.84 -0.13 0.02 0.56 4.01 -1.26 -4.92 117.16 117.29 3hmm n TYR 228 Ca 0.07 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 58.01 3hmm n TYR 228 Cb 0.38 -1.90 0.71 0.00 -0.31 0.00 0.00 39.34 38.22 3hmm n TYR 228 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3hmm h TYR 229 N 0.00 0.00 -0.29 -0.72 -0.00 -1.66 -1.53 116.97 112.77 3hmm h TYR 229 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.52 3hmm h TYR 229 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.47 3hmm h TYR 229 CO 0.24 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.01 3hmm n ASP 230 N -4.25 3.81 0.00 0.10 5.75 -1.26 -4.51 116.55 116.19 3hmm n ASP 230 Ca 0.09 -3.10 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 3hmm n ASP 230 Cb 0.59 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3hmm n ASP 230 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hmm n LEU 231 N -0.55 0.00 -4.06 -2.12 4.77 -0.61 -5.09 117.00 109.34 3hmm n LEU 231 Ca 0.23 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.14 3hmm n LEU 231 Cb 0.93 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.92 3hmm n LEU 231 CO 0.17 0.00 -0.34 0.68 -1.33 0.00 0.00 177.39 176.57 3hmm s VAL 232 N -1.36 0.20 1.18 4.08 -7.23 -1.01 -5.00 120.40 111.26 3hmm s VAL 232 Ca 0.00 -1.67 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 3hmm s VAL 232 Cb 0.00 -1.39 0.29 0.00 0.56 0.00 0.00 36.38 35.84 3hmm s VAL 232 CO 0.00 -0.92 1.02 -2.84 -0.31 0.00 0.00 175.10 172.05 3hmm s PRO 233 N -3.68 -1.02 0.28 4.82 0.02 -1.26 -4.79 135.00 129.37 3hmm s PRO 233 Ca 0.05 0.77 -0.02 0.00 0.02 0.00 0.00 61.00 61.82 3hmm s PRO 233 Cb 0.06 -1.55 0.39 0.00 0.02 0.00 0.00 34.50 33.43 3hmm s PRO 233 CO -0.09 -3.77 1.86 0.77 -0.33 0.00 0.00 177.00 175.44 3hmm h SER 234 N -2.65 0.85 -2.17 2.53 0.02 -1.97 -3.22 113.55 106.94 3hmm h SER 234 Ca -0.62 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 59.62 3hmm h SER 234 Cb 1.34 -0.22 -0.42 0.00 0.14 0.00 0.00 62.40 63.24 3hmm h SER 234 CO 0.51 0.76 -0.67 -0.67 -1.14 0.00 0.00 176.83 175.62 3hmm n ASP 235 N -4.32 3.33 -4.74 3.07 2.03 -1.26 -5.08 116.55 109.59 3hmm n ASP 235 Ca 0.06 -3.36 -0.38 0.00 0.52 0.00 0.00 54.79 51.62 3hmm n ASP 235 Cb 0.16 -0.66 0.05 0.00 -0.72 0.00 0.00 41.12 39.96 3hmm n ASP 235 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hmm n PRO 236 N 0.83 1.50 -2.65 -0.67 -0.04 -1.22 -5.05 135.00 127.70 3hmm n PRO 236 Ca 0.29 0.56 -0.21 0.00 -0.04 0.00 0.00 63.50 64.10 3hmm n PRO 236 Cb 0.43 -2.57 0.04 0.00 -0.04 0.00 0.00 33.50 31.35 3hmm n PRO 236 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hmm s SER 237 N -1.08 5.24 0.19 3.54 1.04 -1.26 -4.75 113.70 116.62 3hmm s SER 237 Ca 0.76 -0.06 -0.13 0.00 0.48 0.00 0.00 55.95 57.00 3hmm s SER 237 Cb -0.40 -0.80 0.10 0.00 0.10 0.00 0.00 66.02 65.01 3hmm s SER 237 CO 0.46 -1.17 1.85 0.58 0.98 0.00 0.00 173.24 175.94 3hmm h VAL 238 N 0.06 1.15 -0.50 5.02 2.07 -1.96 -1.82 116.25 120.27 3hmm h VAL 238 Ca -0.42 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3hmm h VAL 238 Cb 1.29 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3hmm h VAL 238 CO 0.51 0.15 0.23 -0.08 0.02 0.00 0.00 177.57 178.40 3hmm h GLU 239 N 0.81 0.73 -0.86 1.57 4.57 -1.94 0.16 114.58 119.62 3hmm h GLU 239 Ca 0.22 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3hmm h GLU 239 Cb -0.09 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 3hmm h GLU 239 CO -0.05 0.62 0.43 0.93 -1.18 0.00 0.00 179.01 179.76 3hmm h GLU 240 N 0.67 1.22 -0.20 1.92 5.08 -1.89 -1.37 114.58 120.01 3hmm h GLU 240 Ca 0.17 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3hmm h GLU 240 Cb 0.14 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3hmm h GLU 240 CO -0.02 0.92 -0.17 0.52 -1.00 0.00 0.00 179.01 179.26 3hmm h MET 241 N 1.21 0.46 -0.85 2.33 2.86 -1.02 -3.19 114.93 116.74 3hmm h MET 241 Ca 0.30 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 3hmm h MET 241 Cb 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 3hmm h MET 241 CO -0.04 0.80 0.52 -0.09 1.06 0.00 0.00 176.91 179.16 3hmm h ARG 242 N 0.14 0.91 -0.49 1.72 2.43 -0.38 0.89 114.38 119.61 3hmm h ARG 242 Ca 0.04 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3hmm h ARG 242 Cb 0.70 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3hmm h ARG 242 CO 0.04 0.61 0.15 0.87 -1.51 0.00 0.00 179.97 180.13 3hmm h LYS 243 N 0.94 0.72 0.00 0.20 1.57 -1.29 0.13 116.57 118.84 3hmm h LYS 243 Ca 0.37 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3hmm h LYS 243 Cb 0.19 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3hmm h LYS 243 CO -0.18 0.63 -0.13 0.28 -0.57 0.00 0.00 179.45 179.48 3hmm h VAL 244 N 0.70 1.49 -0.04 0.50 2.07 -1.38 -0.49 116.25 119.10 3hmm h VAL 244 Ca 0.16 -2.16 -0.16 0.00 0.82 0.00 0.00 66.70 65.36 3hmm h VAL 244 Cb 0.21 2.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3hmm h VAL 244 CO -0.01 0.50 -0.59 0.58 0.02 0.00 0.00 177.57 178.07 3hmm h VAL 245 N -1.00 1.39 0.06 2.57 2.07 -0.88 -1.06 116.25 119.41 3hmm h VAL 245 Ca -0.03 -1.99 -0.27 0.00 0.82 0.00 0.00 66.70 65.22 3hmm h VAL 245 Cb 0.91 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3hmm h VAL 245 CO -0.02 0.59 -1.44 0.00 0.02 0.00 0.00 177.57 176.72 3hmm h GLU 247 N -0.58 0.00 0.00 0.00 5.08 -1.36 -3.35 114.58 114.36 3hmm h GLU 247 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3hmm h GLU 247 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 3hmm h GLU 247 CO -0.07 0.44 0.00 0.37 -1.00 0.00 0.00 179.01 178.75 3hmm h GLN 248 N -1.00 0.00 -5.89 2.33 4.15 -1.12 -3.48 115.11 110.10 3hmm h GLN 248 Ca -0.04 0.00 -0.40 0.00 0.77 0.00 0.00 58.65 58.98 3hmm h GLN 248 Cb 0.54 0.00 0.12 0.00 0.21 0.00 0.00 27.48 28.35 3hmm h GLN 248 CO -0.02 0.00 -0.70 1.63 -1.93 0.00 0.00 178.83 177.81 3hmm n LYS 249 N -2.88 -7.54 -3.37 1.69 5.02 -0.65 -4.99 118.16 105.44 3hmm n LYS 249 Ca 0.04 0.80 -0.28 0.00 -2.02 0.00 0.00 58.31 56.85 3hmm n LYS 249 Cb 0.45 -5.83 -0.03 0.00 -0.02 0.00 0.00 35.03 29.60 3hmm n LYS 249 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hmm s LEU 250 N -7.21 4.06 0.19 -0.35 1.43 -0.49 -4.99 118.68 111.31 3hmm s LEU 250 Ca 0.53 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3hmm s LEU 250 Cb -0.24 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 3hmm s LEU 250 CO 0.74 -0.20 0.06 -0.13 0.23 0.00 0.00 176.35 177.05 3hmm s ARG 251 N -3.66 1.16 0.33 1.70 1.81 -1.26 -4.46 118.95 114.58 3hmm s ARG 251 Ca 0.43 -1.59 -0.28 0.00 -1.72 0.00 0.00 55.73 52.57 3hmm s ARG 251 Cb -0.11 -0.09 -0.13 0.00 -0.45 0.00 0.00 34.95 34.18 3hmm s ARG 251 CO 0.31 -0.24 1.18 -2.30 -0.68 0.00 0.00 175.30 173.58 3hmm n PRO 252 N -0.27 1.83 -2.31 3.54 -0.02 -1.26 -4.90 135.00 131.61 3hmm n PRO 252 Ca -0.03 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3hmm n PRO 252 Cb 0.64 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 3hmm n PRO 252 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hmm s ASN 253 N -0.42 7.03 -0.46 2.55 4.22 -1.26 -5.01 114.94 121.59 3hmm s ASN 253 Ca 0.57 2.40 -0.16 0.00 -2.14 0.00 0.00 52.86 53.53 3hmm s ASN 253 Cb -0.61 -2.63 0.06 0.00 1.28 0.00 0.00 41.25 39.35 3hmm s ASN 253 CO 0.61 -0.37 0.39 -0.63 -2.04 0.00 0.00 177.10 175.06 3hmm s ILE 254 N -0.67 5.22 0.37 0.54 -1.09 -1.26 -5.06 121.20 119.26 3hmm s ILE 254 Ca 0.50 -0.92 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 3hmm s ILE 254 Cb -0.35 -4.09 -0.11 0.00 -1.58 0.00 0.00 42.46 36.33 3hmm s ILE 254 CO 0.43 -0.52 1.20 -2.65 -1.23 0.00 0.00 174.94 172.17 3hmm n PRO 255 N 5.25 1.84 0.27 2.79 -0.02 -1.26 -4.86 135.00 139.02 3hmm n PRO 255 Ca -0.12 0.65 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 3hmm n PRO 255 Cb 0.45 -2.24 0.77 0.00 -0.02 0.00 0.00 33.50 32.46 3hmm n PRO 255 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3hmm h ASN 256 N 2.17 0.00 -0.16 2.55 -1.24 -2.03 -2.36 115.58 114.50 3hmm h ASN 256 Ca -0.46 0.00 0.03 0.00 0.71 0.00 0.00 56.30 56.58 3hmm h ASN 256 Cb 1.30 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.34 3hmm h ASN 256 CO 0.60 0.09 0.11 -0.09 -1.29 0.00 0.00 177.43 176.86 3hmm h ARG 257 N 0.00 0.10 0.00 6.67 2.43 -2.04 -1.83 114.38 119.71 3hmm h ARG 257 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hmm h ARG 257 Cb 0.35 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3hmm h ARG 257 CO 0.01 0.07 0.00 0.91 -1.51 0.00 0.00 179.97 179.45 3hmm n TRP 258 N -4.50 0.00 1.08 2.20 7.02 -0.89 -1.94 117.44 120.41 3hmm n TRP 258 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 3hmm n TRP 258 Cb 0.17 -0.44 0.44 0.00 -2.42 0.00 0.00 31.31 29.06 3hmm n TRP 258 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3hmm n GLN 259 N -1.44 0.16 0.17 -0.99 1.13 -0.69 -2.81 117.38 112.91 3hmm n GLN 259 Ca 0.04 -0.06 0.11 0.00 -1.94 0.00 0.00 57.00 55.14 3hmm n GLN 259 Cb 0.13 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 29.07 3hmm n GLN 259 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3hmm h SER 260 N 0.16 0.00 -3.74 1.08 4.64 -1.56 -3.46 113.55 110.67 3hmm h SER 260 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 3hmm h SER 260 Cb 0.48 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.26 3hmm h SER 260 CO 0.00 0.04 -0.85 0.00 -0.87 0.00 0.00 176.83 175.14 3hmm h GLU 262 N 6.26 0.44 -0.13 0.00 4.57 -1.88 0.81 114.58 124.66 3hmm h GLU 262 Ca -0.29 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.87 3hmm h GLU 262 Cb 1.20 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3hmm h GLU 262 CO 0.49 0.29 0.07 0.00 -1.18 0.00 0.00 179.01 178.68 3hmm h ALA 263 N 1.38 0.15 -0.25 2.92 0.00 -1.95 -1.13 119.26 120.39 3hmm h ALA 263 Ca 0.29 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3hmm h ALA 263 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hmm h ALA 263 CO -0.26 -0.37 -0.09 -0.07 0.00 0.00 0.00 179.25 178.46 3hmm h LEU 264 N 0.15 0.38 -0.73 0.00 3.38 -1.66 -0.63 115.31 116.19 3hmm h LEU 264 Ca 0.05 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3hmm h LEU 264 Cb -0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3hmm h LEU 264 CO -0.03 0.51 0.11 0.03 0.09 0.00 0.00 178.44 179.15 3hmm h ARG 265 N 0.37 1.08 -0.36 1.13 3.08 -0.30 0.59 114.38 119.97 3hmm h ARG 265 Ca 0.08 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 3hmm h ARG 265 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hmm h ARG 265 CO 0.02 0.99 -0.19 0.28 -1.07 0.00 0.00 179.97 180.00 3hmm h VAL 266 N 1.01 1.28 -0.21 2.04 2.07 -0.72 -2.21 116.25 119.52 3hmm h VAL 266 Ca 0.20 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3hmm h VAL 266 Cb 0.43 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3hmm h VAL 266 CO 0.01 0.43 0.11 0.24 0.02 0.00 0.00 177.57 178.39 3hmm h MET 267 N 0.56 0.29 -0.75 1.57 2.86 -0.86 -2.21 114.93 116.40 3hmm h MET 267 Ca 0.08 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3hmm h MET 267 Cb 0.74 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 3hmm h MET 267 CO 0.06 0.28 0.48 0.00 1.06 0.00 0.00 176.91 178.78 3hmm h ALA 268 N 0.99 0.98 -0.55 6.32 0.00 -0.84 -1.38 119.26 124.78 3hmm h ALA 268 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hmm h ALA 268 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hmm h ALA 268 CO -0.01 0.29 0.34 -0.22 0.00 0.00 0.00 179.25 179.64 3hmm h LYS 269 N 0.94 0.74 -0.49 0.00 3.64 -1.24 -1.90 116.57 118.27 3hmm h LYS 269 Ca 0.30 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3hmm h LYS 269 Cb -0.01 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3hmm h LYS 269 CO -0.10 0.53 0.30 0.82 -2.27 0.00 0.00 179.45 178.73 3hmm h ILE 270 N 0.74 1.06 -0.21 2.00 2.04 -0.81 -1.65 117.51 120.68 3hmm h ILE 270 Ca 0.20 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3hmm h ILE 270 Cb -0.03 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3hmm h ILE 270 CO -0.04 0.11 -0.05 0.24 0.00 0.00 0.00 178.15 178.41 3hmm h MET 271 N 0.60 0.00 -0.65 2.37 2.86 -0.76 -1.76 114.93 117.60 3hmm h MET 271 Ca 0.20 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.90 3hmm h MET 271 Cb 0.01 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 3hmm h MET 271 CO -0.08 0.00 0.33 0.00 1.06 0.00 0.00 176.91 178.22 3hmm h ARG 272 N 0.00 0.58 0.00 1.72 2.47 -1.05 -0.26 114.38 117.84 3hmm h ARG 272 Ca 0.10 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3hmm h ARG 272 Cb 0.15 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3hmm h ARG 272 CO -0.21 0.39 0.00 0.39 0.56 0.00 0.00 179.97 181.09 3hmm n GLU 273 N -4.85 0.82 -0.02 0.04 1.02 -0.65 -2.35 120.64 114.66 3hmm n GLU 273 Ca 0.08 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.25 3hmm n GLU 273 Cb 0.20 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.36 3hmm n GLU 273 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hmm n TRP 275 N -2.01 0.48 -1.70 0.00 8.01 -0.74 -3.84 117.44 117.63 3hmm n TRP 275 Ca -0.06 -0.24 -0.43 0.00 -1.31 0.00 0.00 57.50 55.46 3hmm n TRP 275 Cb 0.44 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.72 3hmm n TRP 275 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3hmm n TYR 276 N 0.87 2.42 0.10 -5.99 4.01 -1.24 -4.85 117.16 112.48 3hmm n TYR 276 Ca 0.17 0.40 0.10 0.00 -0.16 0.00 0.00 57.90 58.41 3hmm n TYR 276 Cb 0.43 -2.49 0.58 0.00 -0.31 0.00 0.00 39.34 37.54 3hmm n TYR 276 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hmm h ALA 277 N 4.00 2.02 -2.44 -0.72 0.00 -1.96 -3.38 119.26 116.78 3hmm h ALA 277 Ca -0.46 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.80 3hmm h ALA 277 Cb 1.26 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 3hmm h ALA 277 CO 0.74 -0.07 -0.02 1.21 0.00 0.00 0.00 179.25 181.10 3hmm s ASN 278 N -6.70 6.34 0.38 0.00 2.47 -1.26 -4.56 114.94 111.61 3hmm s ASN 278 Ca -0.06 0.06 0.09 0.00 0.42 0.00 0.00 52.86 53.37 3hmm s ASN 278 Cb 0.18 -2.28 0.84 0.00 -1.45 0.00 0.00 41.25 38.55 3hmm s ASN 278 CO 0.71 -0.47 1.94 1.23 -3.72 0.00 0.00 177.10 176.78 3hmm h GLY 279 N 9.09 0.91 2.00 1.21 0.00 -1.94 -1.92 103.07 112.42 3hmm h GLY 279 Ca -0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 3hmm h GLY 279 CO 0.77 0.15 -0.06 0.00 0.00 0.00 0.00 176.54 177.41 3hmm h ALA 280 N 1.63 1.37 0.00 3.60 0.00 -1.93 -2.23 119.26 121.69 3hmm h ALA 280 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hmm h ALA 280 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hmm h ALA 280 CO -0.12 0.08 -0.27 0.00 0.00 0.00 0.00 179.25 178.94 3hmm h ALA 281 N 1.94 0.83 -2.38 0.00 0.00 -1.72 -3.47 119.26 114.45 3hmm h ALA 281 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3hmm h ALA 281 Cb 0.18 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.06 3hmm h ALA 281 CO 0.01 0.00 0.37 1.03 0.00 0.00 0.00 179.25 180.66 3hmm s ARG 282 N -3.14 3.01 0.85 0.00 0.52 -0.84 -4.96 118.95 114.39 3hmm s ARG 282 Ca 0.08 1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 56.41 3hmm s ARG 282 Cb 0.12 -1.99 0.10 0.00 0.52 0.00 0.00 34.95 33.71 3hmm s ARG 282 CO 0.66 -1.06 1.10 -0.51 0.02 0.00 0.00 175.30 175.50 3hmm s LEU 283 N -4.88 2.62 0.26 2.53 1.43 -0.52 -5.03 118.68 115.10 3hmm s LEU 283 Ca 0.64 1.72 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 3hmm s LEU 283 Cb -0.17 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 3hmm s LEU 283 CO 0.42 -2.49 0.41 0.42 0.23 0.00 0.00 176.35 175.35 3hmm s THR 284 N -2.87 5.22 0.26 5.49 -4.23 -1.26 -4.94 115.64 113.31 3hmm s THR 284 Ca 0.63 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 60.31 3hmm s THR 284 Cb -0.18 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.07 3hmm s THR 284 CO 0.57 -0.37 1.94 0.00 -0.54 0.00 0.00 174.62 176.21 3hmm h ALA 285 N 1.16 1.31 -0.57 3.99 0.00 -1.93 -1.38 119.26 121.84 3hmm h ALA 285 Ca -0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 3hmm h ALA 285 Cb 1.22 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3hmm h ALA 285 CO 0.62 0.64 0.27 1.25 0.00 0.00 0.00 179.25 182.03 3hmm h LEU 286 N 1.32 0.75 -0.55 0.00 5.85 -1.91 -0.00 115.31 120.77 3hmm h LEU 286 Ca 0.36 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3hmm h LEU 286 Cb -0.14 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3hmm h LEU 286 CO -0.08 0.67 0.14 -0.09 -0.34 0.00 0.00 178.44 178.74 3hmm h ARG 287 N 0.77 0.88 -0.67 1.25 9.65 -1.85 -0.83 114.38 123.57 3hmm h ARG 287 Ca 0.19 -0.21 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3hmm h ARG 287 Cb 0.13 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3hmm h ARG 287 CO -0.02 0.82 0.31 0.82 2.80 0.00 0.00 179.97 184.70 3hmm h ILE 288 N 0.78 1.23 -0.85 1.20 2.04 -0.95 -1.23 117.51 119.72 3hmm h ILE 288 Ca 0.17 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3hmm h ILE 288 Cb 0.34 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3hmm h ILE 288 CO 0.00 0.27 0.51 0.50 0.00 0.00 0.00 178.15 179.43 3hmm h LYS 289 N 0.93 1.15 0.31 2.37 3.64 -0.67 -1.02 116.57 123.29 3hmm h LYS 289 Ca 0.23 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3hmm h LYS 289 Cb 0.13 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3hmm h LYS 289 CO -0.03 0.81 -0.17 0.87 -2.27 0.00 0.00 179.45 178.66 3hmm h LYS 290 N 1.17 -0.43 -0.38 1.90 1.79 -0.58 0.68 116.57 120.71 3hmm h LYS 290 Ca 0.31 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.83 3hmm h LYS 290 Cb -0.05 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3hmm h LYS 290 CO -0.06 -0.29 0.19 1.15 -1.08 0.00 0.00 179.45 179.36 3hmm h THR 291 N -0.45 0.97 -0.20 -0.16 2.02 -0.98 -1.26 112.91 112.85 3hmm h THR 291 Ca -0.04 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 3hmm h THR 291 Cb 0.36 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3hmm h THR 291 CO 0.05 0.07 -0.33 -0.07 0.37 0.00 0.00 175.52 175.61 3hmm h LEU 292 N 0.38 0.42 -0.56 2.58 3.38 -1.10 -1.44 115.31 118.98 3hmm h LEU 292 Ca 0.16 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hmm h LEU 292 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hmm h LEU 292 CO -0.12 0.73 0.13 -1.28 0.09 0.00 0.00 178.44 177.99 3hmm h SER 293 N 0.35 0.85 -0.34 -0.43 0.87 -0.39 0.32 113.55 114.79 3hmm h SER 293 Ca 0.04 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.30 3hmm h SER 293 Cb 0.75 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3hmm h SER 293 CO 0.06 0.86 -0.06 1.56 -0.53 0.00 0.00 176.83 178.72 3hmm h GLN 294 N 0.79 0.63 -0.72 2.24 4.20 -1.05 -2.61 115.11 118.59 3hmm h GLN 294 Ca 0.17 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hmm h GLN 294 Cb 0.35 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3hmm h GLN 294 CO 0.00 0.79 0.44 1.25 -0.67 0.00 0.00 178.83 180.64 3hmm h LEU 295 N 0.42 0.86 -1.55 1.46 5.85 -1.07 -1.33 115.31 119.95 3hmm h LEU 295 Ca 0.09 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hmm h LEU 295 Cb 0.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3hmm h LEU 295 CO 0.03 0.66 0.10 -1.28 -0.34 0.00 0.00 178.44 177.61 3hmm h SER 296 N 0.99 0.35 0.42 1.25 0.87 -0.65 -2.55 113.55 114.23 3hmm h SER 296 Ca 0.26 -0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.55 3hmm h SER 296 Cb -0.05 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3hmm h SER 296 CO -0.05 0.34 -1.03 1.56 -0.53 0.00 0.00 176.83 177.12 3hmm h GLN 297 N 0.40 0.37 0.00 2.24 4.20 -0.90 -3.51 115.11 117.90 3hmm h GLN 297 Ca 0.10 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3hmm h GLN 297 Cb 0.10 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3hmm h GLN 297 CO -0.01 1.14 0.00 1.04 -0.67 0.00 0.00 178.83 180.33