#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5l s PRO 4 N 0.00 2.63 0.03 4.33 0.02 -1.26 -4.91 135.00 135.84 2a5l s PRO 4 Ca 0.00 1.84 -0.01 0.00 0.02 0.00 0.00 61.00 62.86 2a5l s PRO 4 Cb 0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 2a5l s PRO 4 CO 0.00 -1.48 -0.02 1.52 -0.33 0.00 0.00 177.00 176.69 2a5l s TYR 5 N -1.69 0.32 -0.14 6.54 1.13 -1.26 -3.04 117.35 119.21 2a5l s TYR 5 Ca 0.77 -0.67 -0.16 0.00 -1.41 0.00 0.00 57.07 55.60 2a5l s TYR 5 Cb -0.31 -0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.26 2a5l s TYR 5 CO 0.38 -0.25 0.38 0.42 -2.51 0.00 0.00 175.55 173.97 2a5l s ILE 6 N -2.21 5.25 -0.15 -3.49 -1.09 0.16 -0.13 121.20 119.54 2a5l s ILE 6 Ca -0.09 0.74 -0.22 0.00 -2.23 0.00 0.00 60.65 58.86 2a5l s ILE 6 Cb -0.04 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2a5l s ILE 6 CO -0.04 0.35 0.65 -0.22 -1.23 0.00 0.00 174.94 174.46 2a5l s LEU 7 N 0.57 4.21 -0.45 2.97 2.96 -0.28 -0.90 118.68 127.76 2a5l s LEU 7 Ca 0.21 0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 55.01 2a5l s LEU 7 Cb -0.14 -2.96 0.12 0.00 0.50 0.00 0.00 46.19 43.71 2a5l s LEU 7 CO 0.07 -0.21 0.31 -0.69 -1.32 0.00 0.00 176.35 174.50 2a5l s VAL 8 N 1.49 3.95 -0.19 1.68 1.01 0.54 -0.58 120.40 128.30 2a5l s VAL 8 Ca 0.32 -1.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 2a5l s VAL 8 Cb -0.16 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2a5l s VAL 8 CO 0.13 -0.75 -0.11 -0.22 0.00 0.00 0.00 175.10 174.14 2a5l s LEU 9 N 1.30 2.64 0.16 3.92 2.96 0.38 -0.63 118.68 129.40 2a5l s LEU 9 Ca 0.06 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2a5l s LEU 9 Cb -0.25 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2a5l s LEU 9 CO -0.02 0.03 0.26 -0.72 -1.32 0.00 0.00 176.35 174.58 2a5l s TYR 10 N 1.13 0.45 -0.01 5.38 1.13 -0.80 -0.63 117.35 123.99 2a5l s TYR 10 Ca 0.01 -0.81 0.07 0.00 -1.41 0.00 0.00 57.07 54.93 2a5l s TYR 10 Cb -0.14 -0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.59 2a5l s TYR 10 CO -0.03 -0.69 -0.24 -0.47 -2.51 0.00 0.00 175.55 171.61 2a5l s TYR 11 N -3.98 2.10 -0.00 -3.49 5.04 -0.65 -3.27 117.35 113.09 2a5l s TYR 11 Ca 0.18 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 2a5l s TYR 11 Cb 0.04 -1.35 -0.00 0.00 0.35 0.00 0.00 41.96 41.00 2a5l s TYR 11 CO 0.00 -0.03 -0.05 0.45 -1.34 0.00 0.00 175.55 174.59 2a5l s SER 12 N -0.59 0.54 -0.26 4.32 0.15 -1.26 -4.05 113.70 112.55 2a5l s SER 12 Ca 0.09 -0.08 -0.10 0.00 0.70 0.00 0.00 55.95 56.56 2a5l s SER 12 Cb -0.09 -0.06 -0.15 0.00 -1.71 0.00 0.00 66.02 64.01 2a5l s SER 12 CO -0.01 0.05 -0.23 -1.14 1.20 0.00 0.00 173.24 173.12 2a5l n ARG 13 N 2.99 0.61 -0.03 5.44 3.00 -1.26 -4.72 116.66 122.68 2a5l n ARG 13 Ca -0.13 0.26 0.01 0.00 -0.00 0.00 0.00 57.85 58.00 2a5l n ARG 13 Cb 0.58 -1.54 0.03 0.00 0.00 0.00 0.00 32.46 31.54 2a5l n ARG 13 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2a5l n HIS 14 N -3.97 0.08 0.00 -0.14 8.25 -1.26 -5.01 115.22 113.17 2a5l n HIS 14 Ca -0.49 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 2a5l n HIS 14 Cb 0.90 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.98 2a5l n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a5l n GLY 15 N -0.15 1.77 0.06 -1.41 0.00 -1.26 -4.82 105.19 99.38 2a5l n GLY 15 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2a5l n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5l h ALA 16 N 0.00 0.06 0.00 4.61 0.00 -1.96 -1.98 119.26 119.99 2a5l h ALA 16 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2a5l h ALA 16 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2a5l h ALA 16 CO 0.00 -0.41 -0.32 1.79 0.00 0.00 0.00 179.25 180.31 2a5l h THR 17 N -0.00 0.95 -0.71 0.00 1.35 -1.94 -2.28 112.91 110.28 2a5l h THR 17 Ca 0.02 -1.24 -0.03 0.00 -0.55 0.00 0.00 66.41 64.61 2a5l h THR 17 Cb 0.07 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 2a5l h THR 17 CO -0.00 0.32 0.35 0.00 -0.25 0.00 0.00 175.52 175.93 2a5l h ALA 18 N 1.68 0.92 0.00 6.62 0.00 -1.80 0.06 119.26 126.73 2a5l h ALA 18 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a5l h ALA 18 Cb 0.70 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2a5l h ALA 18 CO 0.04 0.48 0.00 -1.91 0.00 0.00 0.00 179.25 177.86 2a5l n GLU 19 N -4.43 0.51 0.00 0.00 4.07 -0.77 -1.80 120.64 118.22 2a5l n GLU 19 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2a5l n GLU 19 Cb 0.13 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 2a5l n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2a5l n ALA 21 N 1.13 0.00 -0.28 4.31 0.00 0.01 -1.73 120.51 123.95 2a5l n ALA 21 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2a5l n ALA 21 Cb 0.26 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.80 2a5l n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a5l h ARG 22 N 0.00 1.16 -0.27 0.00 3.08 -1.62 0.24 114.38 116.97 2a5l h ARG 22 Ca 0.00 -0.19 -0.17 0.00 0.07 0.00 0.00 59.98 59.68 2a5l h ARG 22 Cb 0.00 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2a5l h ARG 22 CO 0.00 0.92 -0.53 1.96 -1.07 0.00 0.00 179.97 181.25 2a5l h GLN 23 N 1.14 0.78 -0.95 0.04 1.08 -1.63 -0.68 115.11 114.88 2a5l h GLN 23 Ca 0.27 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2a5l h GLN 23 Cb 0.18 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.61 2a5l h GLN 23 CO -0.03 1.11 0.60 0.82 -0.95 0.00 0.00 178.83 180.38 2a5l h ILE 24 N 0.60 1.25 -0.72 2.54 2.04 -1.65 -1.87 117.51 119.70 2a5l h ILE 24 Ca 0.02 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 2a5l h ILE 24 Cb 1.11 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2a5l h ILE 24 CO 0.11 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.76 2a5l h ALA 25 N 1.33 0.94 -1.01 1.87 0.00 -0.66 0.31 119.26 122.04 2a5l h ALA 25 Ca 0.34 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2a5l h ALA 25 Cb -0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.35 2a5l h ALA 25 CO -0.07 0.60 0.66 0.00 0.00 0.00 0.00 179.25 180.44 2a5l h ARG 26 N 1.05 1.25 -0.38 0.00 -0.00 -0.68 -1.62 114.38 113.99 2a5l h ARG 26 Ca 0.23 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.98 59.60 2a5l h ARG 26 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 2a5l h ARG 26 CO -0.01 0.83 0.09 0.78 0.00 0.00 0.00 179.97 181.66 2a5l h GLY 27 N 1.29 0.66 0.03 0.04 0.00 -0.47 -1.77 103.07 102.85 2a5l h GLY 27 Ca 0.40 -0.41 0.11 0.00 0.00 0.00 0.00 47.33 47.43 2a5l h GLY 27 CO -0.12 0.38 -0.01 -2.08 0.00 0.00 0.00 176.54 174.71 2a5l h VAL 28 N 0.47 0.54 -0.78 4.60 2.07 -0.58 -0.55 116.25 122.02 2a5l h VAL 28 Ca 0.12 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2a5l h VAL 28 Cb 0.30 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2a5l h VAL 28 CO 0.00 0.02 0.47 -0.33 0.02 0.00 0.00 177.57 177.75 2a5l h GLU 29 N 0.10 1.04 0.00 1.57 5.08 -1.01 -1.49 114.58 119.87 2a5l h GLU 29 Ca 0.29 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2a5l h GLU 29 Cb 0.45 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2a5l h GLU 29 CO -0.49 0.72 -0.13 1.96 -1.00 0.00 0.00 179.01 180.08 2a5l h GLN 30 N 1.06 0.00 -0.39 2.33 4.20 -0.27 -2.10 115.11 119.95 2a5l h GLN 30 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2a5l h GLN 30 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2a5l h GLN 30 CO -0.05 0.13 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 2a5l n GLY 31 N -0.98 0.77 1.63 3.46 0.00 -0.39 -4.94 105.19 104.74 2a5l n GLY 31 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2a5l n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5l n GLY 32 N 1.03 0.52 3.46 -0.02 0.00 -0.79 -4.16 105.19 105.24 2a5l n GLY 32 Ca 0.12 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 2a5l n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a5l s PHE 33 N -2.00 2.32 0.42 1.61 0.40 -1.06 -5.03 117.98 114.64 2a5l s PHE 33 Ca 0.00 -0.33 -0.22 0.00 -0.60 0.00 0.00 56.93 55.77 2a5l s PHE 33 Cb 0.00 -1.07 -0.09 0.00 0.51 0.00 0.00 43.02 42.37 2a5l s PHE 33 CO 0.00 0.62 1.01 -1.21 0.70 0.00 0.00 175.22 176.35 2a5l s GLU 34 N -3.17 4.11 -0.12 0.44 0.41 -1.17 -3.31 118.70 115.89 2a5l s GLU 34 Ca 0.26 1.36 -0.02 0.00 -0.41 0.00 0.00 54.97 56.16 2a5l s GLU 34 Cb -0.06 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.91 2a5l s GLU 34 CO 0.13 -0.16 -0.05 0.00 -0.49 0.00 0.00 175.26 174.69 2a5l s ALA 35 N -1.87 2.99 -0.34 5.21 0.00 -1.26 -0.66 121.76 125.83 2a5l s ALA 35 Ca 0.61 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 2a5l s ALA 35 Cb -0.17 -1.42 0.06 0.00 0.00 0.00 0.00 23.12 21.59 2a5l s ALA 35 CO 0.21 0.36 0.08 0.50 0.00 0.00 0.00 175.76 176.92 2a5l s ARG 36 N -0.11 2.45 -0.27 0.00 3.52 -0.08 -4.93 118.95 119.54 2a5l s ARG 36 Ca 0.02 -1.32 -0.14 0.00 -0.13 0.00 0.00 55.73 54.15 2a5l s ARG 36 Cb -0.13 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2a5l s ARG 36 CO 0.03 -0.72 0.34 0.08 -0.81 0.00 0.00 175.30 174.21 2a5l s VAL 37 N 1.30 5.20 0.05 7.11 1.01 -1.26 -0.34 120.40 133.48 2a5l s VAL 37 Ca -0.01 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.48 2a5l s VAL 37 Cb -0.20 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2a5l s VAL 37 CO 0.00 0.18 -0.06 -0.13 0.00 0.00 0.00 175.10 175.09 2a5l s ARG 38 N 1.95 0.55 0.00 2.72 1.81 0.20 -4.44 118.95 121.74 2a5l s ARG 38 Ca 0.14 -0.86 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 2a5l s ARG 38 Cb -0.16 -0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.17 2a5l s ARG 38 CO 0.10 0.01 0.00 -2.37 -0.68 0.00 0.00 175.30 172.36 2a5l n THR 39 N 1.14 0.00 -4.07 0.02 5.66 -0.10 -1.91 114.28 115.01 2a5l n THR 39 Ca -0.21 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.66 2a5l n THR 39 Cb 0.56 -0.09 -0.11 0.00 -1.55 0.00 0.00 70.33 69.14 2a5l n THR 39 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2a5l s VAL 40 N -0.57 0.57 0.60 1.08 -7.23 -1.20 -0.42 120.40 113.24 2a5l s VAL 40 Ca 0.00 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 58.87 2a5l s VAL 40 Cb 0.00 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.21 2a5l s VAL 40 CO 0.00 -0.41 1.07 -2.84 -0.31 0.00 0.00 175.10 172.61 2a5l s PRO 41 N -1.74 3.22 0.82 4.82 0.02 -1.26 -4.92 135.00 135.96 2a5l s PRO 41 Ca -0.08 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.04 2a5l s PRO 41 Cb -0.09 -2.02 0.04 0.00 0.02 0.00 0.00 34.50 32.45 2a5l s PRO 41 CO 0.00 -0.89 0.81 0.00 -0.33 0.00 0.00 177.00 176.59 2a5l n ALA 42 N -2.10 -1.10 -2.53 -1.55 0.00 -1.26 -4.82 120.51 107.15 2a5l n ALA 42 Ca 0.09 -0.37 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 2a5l n ALA 42 Cb 0.53 -2.02 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 2a5l n ALA 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2a5l s VAL 43 N -2.13 2.45 0.25 0.00 -7.23 -1.26 -5.05 120.40 107.42 2a5l s VAL 43 Ca 0.67 -2.20 -0.22 0.00 -1.81 0.00 0.00 61.98 58.42 2a5l s VAL 43 Cb -0.29 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.10 2a5l s VAL 43 CO 0.57 -0.27 0.69 -0.94 -0.31 0.00 0.00 175.10 174.84 2a5l s SER 44 N -3.61 -0.35 -0.08 4.85 1.04 -1.26 -5.03 113.70 109.27 2a5l s SER 44 Ca 0.32 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2a5l s SER 44 Cb -0.01 0.69 0.10 0.00 0.10 0.00 0.00 66.02 66.91 2a5l s SER 44 CO 0.17 -1.24 1.32 0.35 0.98 0.00 0.00 173.24 174.82 2a5l n THR 45 N -0.44 1.54 -0.84 2.02 -2.24 -1.26 -5.26 114.28 107.81 2a5l n THR 45 Ca -0.08 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2a5l n THR 45 Cb 0.61 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2a5l n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a5l n ALA 59 N 0.40 -1.00 -1.10 6.98 0.00 -1.26 -5.35 120.51 119.18 2a5l n ALA 59 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 2a5l n ALA 59 Cb 0.66 -0.43 0.11 0.00 0.00 0.00 0.00 19.45 19.79 2a5l n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a5l s LEU 60 N -3.50 3.02 0.23 0.00 1.43 -1.26 -4.54 118.68 114.06 2a5l s LEU 60 Ca 0.00 2.01 -0.25 0.00 -1.03 0.00 0.00 54.13 54.85 2a5l s LEU 60 Cb 0.00 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.59 2a5l s LEU 60 CO 0.00 -2.38 0.84 -0.31 0.23 0.00 0.00 176.35 174.73 2a5l s TYR 61 N -2.69 3.82 0.45 0.29 2.02 -1.26 -0.93 117.35 119.06 2a5l s TYR 61 Ca 0.65 1.69 -0.22 0.00 -0.37 0.00 0.00 57.07 58.81 2a5l s TYR 61 Cb -0.20 -2.82 -0.08 0.00 -0.40 0.00 0.00 41.96 38.45 2a5l s TYR 61 CO 0.54 0.39 1.10 0.00 -1.57 0.00 0.00 175.55 176.02 2a5l s ALA 62 N -1.34 2.96 0.38 3.71 0.00 0.45 -4.83 121.76 123.08 2a5l s ALA 62 Ca 0.42 0.79 0.08 0.00 0.00 0.00 0.00 51.96 53.24 2a5l s ALA 62 Cb -0.21 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2a5l s ALA 62 CO 0.26 -0.46 0.14 0.95 0.00 0.00 0.00 175.76 176.65 2a5l s THR 63 N -1.68 2.58 0.24 0.00 -4.23 -1.26 -4.99 115.64 106.30 2a5l s THR 63 Ca 0.63 -1.74 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 2a5l s THR 63 Cb -0.24 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 70.89 2a5l s THR 63 CO 0.29 -0.09 1.91 -0.07 -0.54 0.00 0.00 174.62 176.11 2a5l h LEU 64 N 1.53 1.06 -1.24 4.79 3.38 -1.98 -2.30 115.31 120.55 2a5l h LEU 64 Ca -0.43 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.53 2a5l h LEU 64 Cb 1.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2a5l h LEU 64 CO 0.67 0.75 0.51 -0.33 0.09 0.00 0.00 178.44 180.14 2a5l h GLU 65 N 1.25 1.01 -0.79 1.13 4.39 -1.98 0.12 114.58 119.71 2a5l h GLU 65 Ca 0.36 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 60.09 2a5l h GLU 65 Cb -0.08 -0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 28.27 2a5l h GLU 65 CO -0.10 0.67 0.44 -0.44 -1.16 0.00 0.00 179.01 178.42 2a5l h ASP 66 N 1.04 0.63 -0.03 1.42 3.32 -1.82 -1.66 116.42 119.31 2a5l h ASP 66 Ca 0.29 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.22 2a5l h ASP 66 Cb -0.10 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.39 2a5l h ASP 66 CO -0.07 0.36 -0.65 0.25 -1.72 0.00 0.00 179.24 177.42 2a5l h LEU 67 N 0.75 0.62 -1.34 1.55 5.85 -1.13 -2.96 115.31 118.64 2a5l h LEU 67 Ca 0.38 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2a5l h LEU 67 Cb 0.34 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2a5l h LEU 67 CO -0.24 1.26 0.39 0.11 -0.34 0.00 0.00 178.44 179.62 2a5l h LYS 68 N 0.04 0.84 -0.25 1.25 1.57 -0.54 -3.02 116.57 116.45 2a5l h LYS 68 Ca -0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2a5l h LYS 68 Cb 1.33 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2a5l h LYS 68 CO 0.13 0.57 0.00 0.09 -0.57 0.00 0.00 179.45 179.67 2a5l n ASN 69 N -4.42 3.01 -4.78 0.86 3.02 -0.65 -4.88 115.26 107.43 2a5l n ASN 69 Ca 0.06 -1.93 -0.35 0.00 -0.03 0.00 0.00 54.58 52.33 2a5l n ASN 69 Cb 0.06 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 2a5l n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a5l h ALA 71 N 1.04 0.90 -1.45 0.00 0.00 -0.89 -3.49 119.26 115.38 2a5l h ALA 71 Ca -0.49 0.00 0.33 0.00 0.00 0.00 0.00 54.91 54.75 2a5l h ALA 71 Cb 1.25 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2a5l h ALA 71 CO 0.57 0.00 0.85 0.20 0.00 0.00 0.00 179.25 180.87 2a5l s GLY 72 N -4.03 -0.41 -0.02 0.00 0.00 -1.25 -4.14 107.32 97.47 2a5l s GLY 72 Ca 0.07 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.47 2a5l s GLY 72 CO 0.67 0.48 0.01 -2.27 0.00 0.00 0.00 173.10 172.00 2a5l s LEU 73 N -3.04 1.41 -0.16 0.66 2.96 -0.28 -1.12 118.68 119.10 2a5l s LEU 73 Ca 0.15 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2a5l s LEU 73 Cb 0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.64 2a5l s LEU 73 CO -0.04 -0.08 -0.13 0.00 -1.32 0.00 0.00 176.35 174.78 2a5l s ALA 74 N 0.69 2.58 -0.18 5.97 0.00 0.25 -1.14 121.76 129.93 2a5l s ALA 74 Ca -0.06 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 2a5l s ALA 74 Cb -0.09 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.74 2a5l s ALA 74 CO -0.02 -0.04 -0.16 -1.17 0.00 0.00 0.00 175.76 174.38 2a5l s LEU 75 N 0.82 2.39 -0.00 0.00 2.96 0.07 -0.47 118.68 124.44 2a5l s LEU 75 Ca -0.04 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 2a5l s LEU 75 Cb -0.15 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2a5l s LEU 75 CO 0.00 0.03 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.07 2a5l s GLY 76 N 1.13 0.80 -0.03 7.98 0.00 0.20 -0.94 107.32 116.45 2a5l s GLY 76 Ca 0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 44.72 43.76 2a5l s GLY 76 CO -0.06 -0.62 0.53 -0.45 0.00 0.00 0.00 173.10 172.51 2a5l s SER 77 N -0.51 -0.47 0.67 1.64 0.15 -0.46 -1.64 113.70 113.08 2a5l s SER 77 Ca 0.06 0.45 -0.15 0.00 0.70 0.00 0.00 55.95 57.00 2a5l s SER 77 Cb -0.06 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2a5l s SER 77 CO -0.00 -0.56 1.15 -2.16 1.20 0.00 0.00 173.24 172.86 2a5l s PRO 78 N -1.34 2.63 0.23 5.44 0.04 -1.26 -2.85 135.00 137.89 2a5l s PRO 78 Ca -0.11 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 2a5l s PRO 78 Cb -0.02 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2a5l s PRO 78 CO 0.07 -1.41 1.26 0.95 0.04 0.00 0.00 177.00 177.91 2a5l s THR 79 N -2.16 3.24 -0.42 1.26 -4.23 0.11 -4.07 115.64 109.36 2a5l s THR 79 Ca 0.70 1.08 0.02 0.00 -1.18 0.00 0.00 61.69 62.31 2a5l s THR 79 Cb -0.24 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 70.06 2a5l s THR 79 CO 0.41 0.19 0.26 -0.13 -0.54 0.00 0.00 174.62 174.81 2a5l s ARG 80 N -0.56 1.05 -1.36 3.99 1.81 -0.45 -4.87 118.95 118.57 2a5l s ARG 80 Ca 0.53 -1.88 -0.06 0.00 -1.72 0.00 0.00 55.73 52.61 2a5l s ARG 80 Cb -0.36 -1.92 0.02 0.00 -0.45 0.00 0.00 34.95 32.25 2a5l s ARG 80 CO 0.40 -1.22 0.96 1.19 -0.68 0.00 0.00 175.30 175.96 2a5l n PHE 81 N 3.51 -2.32 -0.97 -0.53 3.72 -1.26 -2.47 117.46 117.14 2a5l n PHE 81 Ca 0.14 0.92 0.00 0.00 -0.05 0.00 0.00 57.45 58.46 2a5l n PHE 81 Cb 0.37 -4.60 0.00 0.00 -0.94 0.00 0.00 39.48 34.31 2a5l n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2a5l n GLY 82 N -1.62 0.80 0.00 1.37 0.00 -1.26 -5.08 105.19 99.40 2a5l n GLY 82 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2a5l n GLY 82 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a5l n ASN 83 N 0.00 0.00 -4.87 1.61 5.03 -1.03 -3.89 115.26 112.11 2a5l n ASN 83 Ca 0.00 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.09 2a5l n ASN 83 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 2a5l n ASN 83 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2a5l s ALA 85 N -2.00 3.82 0.37 5.41 0.00 -1.26 -1.35 121.76 126.75 2a5l s ALA 85 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 51.96 51.56 2a5l s ALA 85 Cb 0.00 -2.12 0.86 0.00 0.00 0.00 0.00 23.12 21.86 2a5l s ALA 85 CO 0.00 0.59 1.88 0.66 0.00 0.00 0.00 175.76 178.89 2a5l h SER 86 N 4.54 0.60 -0.16 0.00 4.64 -1.97 -1.27 113.55 119.94 2a5l h SER 86 Ca -0.52 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 2a5l h SER 86 Cb 1.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2a5l h SER 86 CO 0.62 0.31 0.02 -0.65 -0.87 0.00 0.00 176.83 176.25 2a5l h PRO 87 N 0.64 0.37 0.05 4.77 0.11 -1.96 0.80 132.00 136.79 2a5l h PRO 87 Ca 0.43 -0.06 -0.27 0.00 0.11 0.00 0.00 66.00 66.20 2a5l h PRO 87 Cb 0.73 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.80 2a5l h PRO 87 CO -0.18 0.39 -1.11 1.25 -0.21 0.00 0.00 178.00 178.13 2a5l h LEU 88 N 0.37 0.80 -1.13 2.35 5.85 -1.60 -2.51 115.31 119.45 2a5l h LEU 88 Ca 0.09 -0.69 0.05 0.00 0.84 0.00 0.00 57.88 58.16 2a5l h LEU 88 Cb 0.22 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2a5l h LEU 88 CO 0.00 1.49 0.60 0.50 -0.34 0.00 0.00 178.44 180.69 2a5l h LYS 89 N 0.30 1.07 -0.50 1.25 1.63 -0.96 -1.76 116.57 117.60 2a5l h LYS 89 Ca -0.14 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.57 2a5l h LYS 89 Cb 1.77 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 33.14 2a5l h LYS 89 CO 0.21 0.71 0.21 -0.92 -3.45 0.00 0.00 179.45 176.21 2a5l h TYR 90 N 1.10 0.76 -0.26 1.91 3.20 -0.72 0.21 116.97 123.17 2a5l h TYR 90 Ca 0.37 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.23 2a5l h TYR 90 Cb 0.08 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 2a5l h TYR 90 CO -0.00 0.63 0.01 0.35 -1.64 0.00 0.00 178.16 177.50 2a5l h PHE 91 N 0.67 -0.00 -0.12 -3.82 3.57 -1.02 -2.25 116.94 113.97 2a5l h PHE 91 Ca 0.17 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2a5l h PHE 91 Cb 0.18 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2a5l h PHE 91 CO 0.00 -0.03 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.78 2a5l h LEU 92 N 0.09 0.19 -2.38 0.59 3.38 -0.79 -1.79 115.31 114.60 2a5l h LEU 92 Ca 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2a5l h LEU 92 Cb 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2a5l h LEU 92 CO -0.20 0.41 -0.00 0.44 0.09 0.00 0.00 178.44 179.18 2a5l h ASP 93 N 0.19 0.00 -0.29 -0.43 3.32 0.01 -1.79 116.42 117.43 2a5l h ASP 93 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2a5l h ASP 93 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2a5l h ASP 93 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 2a5l n GLY 94 N -0.64 0.36 1.66 2.75 0.00 -0.67 -4.32 105.19 104.34 2a5l n GLY 94 Ca -0.02 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2a5l n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a5l n THR 95 N 0.35 2.19 -0.30 2.61 -2.24 -0.67 -4.60 114.28 111.62 2a5l n THR 95 Ca 0.10 -1.31 0.10 0.00 -2.27 0.00 0.00 64.05 60.68 2a5l n THR 95 Cb 0.25 -0.03 0.27 0.00 -2.10 0.00 0.00 70.33 68.72 2a5l n THR 95 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2a5l h SER 96 N 3.95 0.45 -0.71 3.42 0.02 -1.81 -1.76 113.55 117.10 2a5l h SER 96 Ca 0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2a5l h SER 96 Cb 1.64 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 64.22 2a5l h SER 96 CO 0.33 0.12 0.32 0.77 -1.14 0.00 0.00 176.83 177.22 2a5l h SER 97 N 0.52 0.96 -0.71 3.07 4.64 -1.97 0.30 113.55 120.36 2a5l h SER 97 Ca 0.51 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 2a5l h SER 97 Cb 0.86 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 2a5l h SER 97 CO -0.44 0.84 0.36 -0.07 -0.87 0.00 0.00 176.83 176.64 2a5l h LEU 98 N 1.04 0.92 -0.22 5.97 4.07 -1.70 -1.81 115.31 123.59 2a5l h LEU 98 Ca 0.25 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 2a5l h LEU 98 Cb 0.16 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 2a5l h LEU 98 CO -0.03 0.78 -0.02 -0.25 -1.08 0.00 0.00 178.44 177.85 2a5l h TRP 99 N 0.99 0.44 -0.34 1.13 7.01 -0.66 -0.11 115.95 124.41 2a5l h TRP 99 Ca 0.25 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 2a5l h TRP 99 Cb 0.10 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 2a5l h TRP 99 CO 0.00 0.61 0.02 -0.07 -2.79 0.00 0.00 178.44 176.21 2a5l h LEU 100 N 0.15 0.48 -1.78 0.65 3.38 -0.85 -2.77 115.31 114.58 2a5l h LEU 100 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2a5l h LEU 100 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2a5l h LEU 100 CO 0.02 0.53 0.00 0.35 0.09 0.00 0.00 178.44 179.43 2a5l n THR 101 N -4.30 0.22 -2.37 0.22 -2.24 -0.69 -4.97 114.28 100.16 2a5l n THR 101 Ca 0.02 -0.52 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 2a5l n THR 101 Cb 0.23 0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2a5l n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5l n GLY 102 N 1.34 -0.21 0.34 3.38 0.00 -0.51 -4.92 105.19 104.61 2a5l n GLY 102 Ca 0.17 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2a5l n GLY 102 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a5l h SER 103 N -0.18 0.67 -0.22 1.61 0.02 -1.35 -2.76 113.55 111.33 2a5l h SER 103 Ca -0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2a5l h SER 103 Cb 1.25 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2a5l h SER 103 CO 0.40 0.47 0.00 0.18 -1.14 0.00 0.00 176.83 176.74 2a5l n LEU 104 N -4.46 2.92 -4.69 5.07 4.77 -1.26 -4.95 117.00 114.41 2a5l n LEU 104 Ca 0.07 -1.36 -0.43 0.00 -0.03 0.00 0.00 56.01 54.26 2a5l n LEU 104 Cb 0.10 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2a5l n LEU 104 CO 0.35 0.60 1.43 0.52 -1.33 0.00 0.00 177.39 178.97 2a5l n VAL 105 N 1.11 0.31 -0.45 4.08 0.31 -1.04 -2.22 118.33 120.42 2a5l n VAL 105 Ca 0.14 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2a5l n VAL 105 Cb 0.50 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 2a5l n VAL 105 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a5l n GLY 106 N 4.12 1.16 3.76 2.92 0.00 0.10 -5.02 105.19 112.23 2a5l n GLY 106 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2a5l n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5l s LYS 107 N -0.36 4.60 0.53 1.61 1.02 -0.94 -4.62 119.74 121.58 2a5l s LYS 107 Ca 0.00 1.20 -0.20 0.00 0.02 0.00 0.00 55.97 56.99 2a5l s LYS 107 Cb 0.00 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.96 2a5l s LYS 107 CO 0.00 0.48 1.15 -1.25 -0.92 0.00 0.00 175.35 174.81 2a5l s PRO 108 N -0.86 3.42 -0.04 -1.68 0.04 -1.26 -0.78 135.00 133.84 2a5l s PRO 108 Ca 0.38 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 2a5l s PRO 108 Cb -0.23 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.24 2a5l s PRO 108 CO 0.27 -0.81 0.38 0.00 0.04 0.00 0.00 177.00 176.88 2a5l s ALA 109 N -1.69 -0.98 0.23 8.56 0.00 -0.61 -1.13 121.76 126.14 2a5l s ALA 109 Ca 0.71 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 53.18 2a5l s ALA 109 Cb -0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2a5l s ALA 109 CO 0.30 -0.27 0.34 0.00 0.00 0.00 0.00 175.76 176.13 2a5l s ALA 110 N -1.11 0.33 0.21 0.00 0.00 -0.29 -0.80 121.76 120.09 2a5l s ALA 110 Ca -0.11 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.68 2a5l s ALA 110 Cb -0.04 1.20 -0.05 0.00 0.00 0.00 0.00 23.12 24.23 2a5l s ALA 110 CO 0.05 -0.75 -0.07 0.14 0.00 0.00 0.00 175.76 175.12 2a5l s VAL 111 N -4.05 1.31 -0.04 0.00 -7.23 -1.26 -0.76 120.40 108.37 2a5l s VAL 111 Ca 0.29 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.24 2a5l s VAL 111 Cb 0.02 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.85 2a5l s VAL 111 CO 0.10 -0.51 0.29 0.72 -0.31 0.00 0.00 175.10 175.39 2a5l s PHE 112 N -3.24 -0.20 0.09 2.82 -0.12 -0.12 -1.45 117.98 115.76 2a5l s PHE 112 Ca 0.24 0.38 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 2a5l s PHE 112 Cb 0.03 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 2a5l s PHE 112 CO 0.06 -0.31 -0.03 0.95 -0.05 0.00 0.00 175.22 175.85 2a5l s THR 113 N -0.87 0.40 0.14 -4.49 -4.23 0.09 -1.35 115.64 105.32 2a5l s THR 113 Ca -0.10 -1.88 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 2a5l s THR 113 Cb -0.05 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 2a5l s THR 113 CO 0.03 -0.84 -0.15 -0.55 -0.54 0.00 0.00 174.62 172.56 2a5l s SER 114 N -3.00 2.22 -0.01 3.99 0.15 -1.13 -2.24 113.70 113.68 2a5l s SER 114 Ca 0.12 -0.83 -0.03 0.00 0.70 0.00 0.00 55.95 55.92 2a5l s SER 114 Cb 0.07 -0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2a5l s SER 114 CO -0.06 -0.11 0.06 0.28 1.20 0.00 0.00 173.24 174.61 2a5l s THR 115 N -2.11 0.06 -2.83 6.45 -1.32 -0.32 -0.72 115.64 114.85 2a5l s THR 115 Ca 0.11 -0.46 0.24 0.00 -1.21 0.00 0.00 61.69 60.37 2a5l s THR 115 Cb -0.05 -0.24 0.27 0.00 -1.51 0.00 0.00 72.50 70.97 2a5l s THR 115 CO 0.04 -0.25 1.33 0.00 -2.21 0.00 0.00 174.62 173.53 2a5l n ALA 116 N 2.19 2.46 -2.90 11.08 0.00 -1.26 -0.28 120.51 131.80 2a5l n ALA 116 Ca -0.19 -0.75 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 2a5l n ALA 116 Cb 0.57 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 2a5l n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a5l s SER 117 N -1.87 6.34 0.02 0.00 0.15 -1.26 -4.14 113.70 112.95 2a5l s SER 117 Ca 0.31 0.35 0.26 0.00 0.70 0.00 0.00 55.95 57.58 2a5l s SER 117 Cb 0.21 -1.99 0.74 0.00 -1.71 0.00 0.00 66.02 63.27 2a5l s SER 117 CO 0.31 0.28 1.59 0.18 1.20 0.00 0.00 173.24 176.80 2a5l n LEU 118 N 1.07 0.37 -2.24 3.45 4.77 -1.26 -4.41 117.00 118.75 2a5l n LEU 118 Ca -0.12 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.82 2a5l n LEU 118 Cb 0.53 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2a5l n LEU 118 CO 0.42 0.05 0.27 1.41 -1.33 0.00 0.00 177.39 178.21 2a5l n HIS 119 N -1.60 3.04 -2.01 -1.77 8.25 -1.26 -5.08 115.22 114.79 2a5l n HIS 119 Ca 0.06 -2.61 0.00 0.00 -0.26 0.00 0.00 57.72 54.90 2a5l n HIS 119 Cb 0.35 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2a5l n HIS 119 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a5l n GLY 120 N -0.62 -2.24 0.00 -1.41 0.00 -1.26 -5.03 105.19 94.62 2a5l n GLY 120 Ca 0.43 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2a5l n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5l n GLY 121 N -0.20 1.61 0.19 -0.02 0.00 -1.26 -4.92 105.19 100.60 2a5l n GLY 121 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2a5l n GLY 121 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2a5l h GLN 122 N 0.22 0.60 -0.69 1.61 4.20 -1.96 -0.43 115.11 118.67 2a5l h GLN 122 Ca 0.00 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2a5l h GLN 122 Cb 0.00 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2a5l h GLN 122 CO 0.00 0.64 0.36 0.93 -0.67 0.00 0.00 178.83 180.09 2a5l h GLU 123 N 0.46 0.98 0.01 1.46 5.08 -1.99 0.22 114.58 120.80 2a5l h GLU 123 Ca 0.12 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 2a5l h GLU 123 Cb 0.31 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2a5l h GLU 123 CO 0.00 0.75 -0.89 1.79 -1.00 0.00 0.00 179.01 179.66 2a5l h THR 124 N 0.96 1.55 -0.19 1.13 1.35 -1.91 0.06 112.91 115.85 2a5l h THR 124 Ca 0.24 -2.78 0.01 0.00 -0.55 0.00 0.00 66.41 63.33 2a5l h THR 124 Cb 0.07 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 2a5l h THR 124 CO -0.04 0.80 0.11 0.74 -0.25 0.00 0.00 175.52 176.89 2a5l h THR 125 N 0.06 1.03 -0.29 6.82 2.02 -0.62 0.34 112.91 122.27 2a5l h THR 125 Ca -0.03 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.12 2a5l h THR 125 Cb 1.54 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 2a5l h THR 125 CO 0.13 0.04 -0.01 1.56 0.37 0.00 0.00 175.52 177.61 2a5l h GLN 126 N 0.23 0.08 -0.66 6.66 4.20 -0.29 -2.07 115.11 123.26 2a5l h GLN 126 Ca 0.07 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.85 2a5l h GLN 126 Cb -0.01 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.69 2a5l h GLN 126 CO -0.03 0.05 0.33 1.25 -0.67 0.00 0.00 178.83 179.76 2a5l h LEU 127 N 0.08 0.45 -2.03 1.46 5.85 -0.67 -1.44 115.31 119.01 2a5l h LEU 127 Ca 0.14 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2a5l h LEU 127 Cb 0.19 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2a5l h LEU 127 CO -0.24 0.27 0.00 -1.54 -0.34 0.00 0.00 178.44 176.59 2a5l n SER 128 N -4.86 0.19 0.00 1.25 3.41 0.08 -3.15 113.62 110.54 2a5l n SER 128 Ca 0.09 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2a5l n SER 128 Cb 0.22 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2a5l n SER 128 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2a5l n LEU 130 N 0.98 0.00 0.27 1.04 4.77 -0.54 -4.34 117.00 119.18 2a5l n LEU 130 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 2a5l n LEU 130 Cb 0.03 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2a5l n LEU 130 CO 0.00 0.00 0.70 -0.07 -1.33 0.00 0.00 177.39 176.69 2a5l h LEU 131 N 0.00 -0.53 -1.78 2.23 3.38 -1.85 -0.55 115.31 116.21 2a5l h LEU 131 Ca 0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2a5l h LEU 131 Cb 0.00 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2a5l h LEU 131 CO 0.00 -0.36 0.16 1.55 0.09 0.00 0.00 178.44 179.88 2a5l h PRO 132 N -0.65 0.29 -0.54 1.13 0.13 -1.92 0.04 132.00 130.47 2a5l h PRO 132 Ca -0.06 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2a5l h PRO 132 Cb 0.49 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 2a5l h PRO 132 CO 0.11 0.19 0.23 -0.07 -0.23 0.00 0.00 178.00 178.23 2a5l h LEU 133 N 0.29 0.73 -0.70 1.56 3.38 -1.80 -1.67 115.31 117.10 2a5l h LEU 133 Ca 0.09 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2a5l h LEU 133 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2a5l h LEU 133 CO -0.02 0.68 -0.36 -0.07 0.09 0.00 0.00 178.44 178.76 2a5l h LEU 134 N 0.73 0.62 -1.46 1.67 3.38 -0.45 -2.43 115.31 117.37 2a5l h LEU 134 Ca 0.18 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2a5l h LEU 134 Cb 0.17 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2a5l h LEU 134 CO -0.02 0.93 0.44 0.45 0.09 0.00 0.00 178.44 180.33 2a5l h HIS 135 N 0.50 0.66 -0.04 1.13 3.86 -0.72 -0.42 115.15 120.12 2a5l h HIS 135 Ca 0.05 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2a5l h HIS 135 Cb 0.85 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2a5l h HIS 135 CO 0.04 0.34 0.00 0.72 0.86 0.00 0.00 177.93 179.89 2a5l n HIS 136 N -4.48 0.05 -1.84 2.45 8.25 -0.65 -5.04 115.22 113.96 2a5l n HIS 136 Ca 0.10 -0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.53 2a5l n HIS 136 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2a5l n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a5l n GLY 137 N 0.92 -2.53 2.73 -1.41 0.00 -0.17 -3.13 105.19 101.59 2a5l n GLY 137 Ca 0.16 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2a5l n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a5l s LEU 139 N -0.74 2.00 0.11 0.99 1.43 0.04 -0.72 118.68 121.79 2a5l s LEU 139 Ca 0.02 -1.50 -0.24 0.00 -1.03 0.00 0.00 54.13 51.38 2a5l s LEU 139 Cb -0.01 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 2a5l s LEU 139 CO 0.21 -0.40 0.72 0.68 0.23 0.00 0.00 176.35 177.79 2a5l s VAL 140 N 1.67 4.55 0.05 -1.59 -7.23 -1.26 -1.58 120.40 115.02 2a5l s VAL 140 Ca 0.08 1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 61.79 2a5l s VAL 140 Cb -0.17 -4.07 -0.03 0.00 0.56 0.00 0.00 36.38 32.67 2a5l s VAL 140 CO -0.24 0.49 -0.01 -1.48 -0.31 0.00 0.00 175.10 173.56 2a5l s LEU 141 N -0.87 2.36 0.00 1.32 0.05 0.02 -4.92 118.68 116.63 2a5l s LEU 141 Ca 0.34 -0.87 0.00 0.00 0.05 0.00 0.00 54.13 53.65 2a5l s LEU 141 Cb -0.21 0.25 0.00 0.00 -2.05 0.00 0.00 46.19 44.17 2a5l s LEU 141 CO 0.23 -0.55 0.00 0.61 -0.55 0.00 0.00 176.35 176.09 2a5l n GLY 142 N 0.39 5.48 3.39 -3.48 0.00 -1.25 -4.28 105.19 105.44 2a5l n GLY 142 Ca -0.16 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 2a5l n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a5l s ILE 143 N 2.55 4.24 0.73 -0.61 1.01 -0.86 -4.90 121.20 123.36 2a5l s ILE 143 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 2a5l s ILE 143 Cb 0.00 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.35 2a5l s ILE 143 CO 0.00 0.10 1.07 -2.16 0.00 0.00 0.00 174.94 173.96 2a5l s PRO 144 N 1.55 2.61 -0.68 2.79 0.04 -1.26 -4.26 135.00 135.80 2a5l s PRO 144 Ca 0.04 0.91 -0.26 0.00 0.04 0.00 0.00 61.00 61.73 2a5l s PRO 144 Cb -0.17 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2a5l s PRO 144 CO 0.04 -1.32 2.28 -0.47 0.04 0.00 0.00 177.00 177.57 2a5l s TYR 145 N -3.05 1.26 0.93 0.56 5.04 -1.26 -5.05 117.35 115.79 2a5l s TYR 145 Ca 0.59 1.52 -0.15 0.00 -2.44 0.00 0.00 57.07 56.60 2a5l s TYR 145 Cb -0.15 -3.64 -0.04 0.00 0.35 0.00 0.00 41.96 38.48 2a5l s TYR 145 CO 0.55 -2.03 -0.02 0.25 -1.34 0.00 0.00 175.55 172.96 2a5l n THR 158 N 8.20 0.19 0.33 4.34 -2.24 -1.26 -5.30 114.28 118.54 2a5l n THR 158 Ca 0.39 -0.33 0.14 0.00 -2.27 0.00 0.00 64.05 61.98 2a5l n THR 158 Cb 0.49 -0.40 0.61 0.00 -2.10 0.00 0.00 70.33 68.93 2a5l n THR 158 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2a5l h PRO 159 N -1.19 0.00 -0.01 -0.78 0.11 -1.97 -3.30 132.00 124.86 2a5l h PRO 159 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2a5l h PRO 159 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2a5l h PRO 159 CO 0.31 0.00 -0.60 0.66 -0.21 0.00 0.00 178.00 178.16 2a5l n TYR 160 N -2.54 0.00 0.00 0.65 4.01 -1.26 -2.04 117.16 115.99 2a5l n TYR 160 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2a5l n TYR 160 Cb 0.21 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2a5l n TYR 160 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2a5l n GLY 161 N 1.45 0.40 3.81 2.72 0.00 -1.24 -4.45 105.19 107.87 2a5l n GLY 161 Ca 0.07 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2a5l n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5l s ALA 162 N -2.00 3.43 0.20 4.61 0.00 -0.53 -4.13 121.76 123.34 2a5l s ALA 162 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.24 2a5l s ALA 162 Cb 0.00 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2a5l s ALA 162 CO 0.00 0.32 -0.15 -1.12 0.00 0.00 0.00 175.76 174.81 2a5l s SER 163 N -1.49 2.60 -0.26 0.00 0.01 -1.26 -0.73 113.70 112.57 2a5l s SER 163 Ca 0.40 -0.99 -0.20 0.00 1.31 0.00 0.00 55.95 56.46 2a5l s SER 163 Cb -0.18 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 65.98 2a5l s SER 163 CO 0.22 -0.15 0.68 -2.28 0.41 0.00 0.00 173.24 172.13 2a5l s HIS 164 N -2.82 -0.88 -0.27 2.43 5.65 -0.95 -4.82 115.29 113.63 2a5l s HIS 164 Ca 0.21 1.95 -0.14 0.00 0.25 0.00 0.00 55.06 57.34 2a5l s HIS 164 Cb -0.02 0.42 -0.04 0.00 -1.18 0.00 0.00 32.58 31.76 2a5l s HIS 164 CO 0.07 -0.43 0.34 0.12 -0.65 0.00 0.00 174.74 174.19 2a5l s PHE 165 N 0.93 3.25 -2.63 3.88 5.36 -1.26 -1.18 117.98 126.33 2a5l s PHE 165 Ca -0.04 0.38 0.25 0.00 -0.96 0.00 0.00 56.93 56.56 2a5l s PHE 165 Cb -0.05 -2.53 0.49 0.00 -0.34 0.00 0.00 43.02 40.59 2a5l s PHE 165 CO -0.08 -0.20 1.42 0.00 -1.46 0.00 0.00 175.22 174.90 2a5l n ALA 166 N 5.20 2.67 -0.23 11.12 0.00 0.62 -4.78 120.51 135.12 2a5l n ALA 166 Ca -0.09 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.79 2a5l n ALA 166 Cb 0.51 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 2a5l n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a5l n GLY 167 N 1.30 -2.58 0.41 0.00 0.00 -1.26 -1.11 105.19 101.96 2a5l n GLY 167 Ca 0.15 -1.40 0.21 0.00 0.00 0.00 0.00 46.02 44.98 2a5l n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5l h ALA 168 N -0.22 2.42 -0.02 4.61 0.00 -1.95 -1.14 119.26 122.97 2a5l h ALA 168 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2a5l h ALA 168 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2a5l h ALA 168 CO 0.01 -0.66 -0.12 -0.40 0.00 0.00 0.00 179.25 178.08 2a5l n ASP 169 N -4.41 1.79 0.00 0.00 5.75 -1.26 -4.96 116.55 113.46 2a5l n ASP 169 Ca 0.16 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 2a5l n ASP 169 Cb 0.72 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 2a5l n ASP 169 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a5l n GLY 170 N 1.28 0.58 0.61 6.12 0.00 -0.43 -4.89 105.19 108.46 2a5l n GLY 170 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2a5l n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a5l n LYS 171 N -1.92 2.88 -1.70 1.61 4.01 -0.87 -4.42 118.16 117.75 2a5l n LYS 171 Ca 0.00 -2.07 -0.42 0.00 -0.51 0.00 0.00 58.31 55.31 2a5l n LYS 171 Cb 0.05 -1.29 -0.03 0.00 -0.51 0.00 0.00 35.03 33.25 2a5l n LYS 171 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2a5l s ARG 172 N -1.13 4.13 0.59 1.97 3.52 -0.27 -4.95 118.95 122.82 2a5l s ARG 172 Ca 0.23 2.62 -0.19 0.00 -0.13 0.00 0.00 55.73 58.26 2a5l s ARG 172 Cb 0.13 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 2a5l s ARG 172 CO 0.14 -0.83 1.22 -1.12 -0.81 0.00 0.00 175.30 173.90 2a5l s SER 173 N 2.44 5.14 0.22 -2.12 0.01 -1.26 -4.71 113.70 113.42 2a5l s SER 173 Ca 0.80 2.44 -0.32 0.00 1.31 0.00 0.00 55.95 60.18 2a5l s SER 173 Cb -0.47 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.02 2a5l s SER 173 CO 0.36 -1.63 1.54 0.18 0.41 0.00 0.00 173.24 174.09 2a5l n LEU 174 N -1.58 3.46 -4.93 2.44 4.32 -1.26 -4.99 117.00 114.45 2a5l n LEU 174 Ca 0.14 1.12 -0.29 0.00 -0.02 0.00 0.00 56.01 56.95 2a5l n LEU 174 Cb 0.49 -1.48 0.17 0.00 -1.62 0.00 0.00 43.42 40.98 2a5l n LEU 174 CO 0.45 -0.22 0.83 1.51 -1.22 0.00 0.00 177.39 178.75 2a5l s ASP 175 N 0.63 3.39 0.27 -1.43 3.84 -1.26 -4.74 116.67 117.36 2a5l s ASP 175 Ca 0.71 0.26 -0.02 0.00 -0.00 0.00 0.00 52.55 53.50 2a5l s ASP 175 Cb -0.61 -0.39 0.43 0.00 -1.38 0.00 0.00 42.92 40.97 2a5l s ASP 175 CO 0.44 -2.56 1.87 -0.08 -0.00 0.00 0.00 175.17 174.84 2a5l h GLU 176 N -1.47 1.07 0.00 2.11 4.81 -1.99 -0.24 114.58 118.88 2a5l h GLU 176 Ca -0.44 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 58.50 2a5l h GLU 176 Cb 1.25 -0.24 0.02 0.00 0.63 0.00 0.00 28.75 30.40 2a5l h GLU 176 CO 0.41 0.71 -0.91 0.45 -0.73 0.00 0.00 179.01 178.95 2a5l h HIS 177 N 1.10 0.91 -0.53 0.92 -0.00 -1.99 -0.84 115.15 114.73 2a5l h HIS 177 Ca 0.44 -0.50 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 2a5l h HIS 177 Cb 0.24 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 2a5l h HIS 177 CO -0.01 1.33 0.29 0.93 -0.00 0.00 0.00 177.93 180.47 2a5l h GLU 178 N 0.23 0.73 -0.13 2.45 5.08 -1.81 -1.06 114.58 120.07 2a5l h GLU 178 Ca -0.11 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2a5l h GLU 178 Cb 1.58 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 2a5l h GLU 178 CO 0.18 0.56 -0.02 1.25 -1.00 0.00 0.00 179.01 179.98 2a5l h LEU 179 N 0.70 0.25 -0.91 1.33 6.46 -1.00 -1.25 115.31 120.88 2a5l h LEU 179 Ca 0.19 -0.35 0.08 0.00 -0.12 0.00 0.00 57.88 57.67 2a5l h LEU 179 Cb 0.04 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 39.84 2a5l h LEU 179 CO -0.03 0.54 0.57 0.74 -0.62 0.00 0.00 178.44 179.64 2a5l h THR 180 N -0.05 1.01 -0.22 1.05 2.02 -1.07 -1.22 112.91 114.43 2a5l h THR 180 Ca 0.03 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 2a5l h THR 180 Cb 0.43 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2a5l h THR 180 CO 0.01 0.18 -0.49 -0.07 0.37 0.00 0.00 175.52 175.53 2a5l h LEU 181 N 0.99 0.65 -0.21 2.58 3.38 -1.04 -0.05 115.31 121.62 2a5l h LEU 181 Ca 0.41 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2a5l h LEU 181 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2a5l h LEU 181 CO -0.20 1.03 0.10 0.00 0.09 0.00 0.00 178.44 179.46 2a5l h ARG 183 N 0.21 0.97 -0.89 0.00 3.08 -1.05 -2.16 114.38 114.54 2a5l h ARG 183 Ca 0.09 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2a5l h ARG 183 Cb 0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2a5l h ARG 183 CO -0.06 0.87 0.56 0.00 -1.07 0.00 0.00 179.97 180.27 2a5l h ALA 184 N 1.05 1.13 -0.25 0.04 0.00 -0.76 -0.09 119.26 120.38 2a5l h ALA 184 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2a5l h ALA 184 Cb 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2a5l h ALA 184 CO -0.00 0.56 0.09 1.25 0.00 0.00 0.00 179.25 181.16 2a5l h LEU 185 N 1.22 0.34 -0.55 0.00 5.85 -0.71 0.33 115.31 121.79 2a5l h LEU 185 Ca 0.32 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2a5l h LEU 185 Cb -0.10 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2a5l h LEU 185 CO -0.07 0.43 0.34 1.23 -0.34 0.00 0.00 178.44 180.03 2a5l h GLY 186 N 0.24 0.80 1.04 3.75 0.00 -1.06 -0.66 103.07 107.18 2a5l h GLY 186 Ca 0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2a5l h GLY 186 CO -0.01 0.32 0.32 1.70 0.00 0.00 0.00 176.54 178.87 2a5l h LYS 187 N 0.74 1.16 -0.55 4.80 3.64 -0.82 -1.76 116.57 123.78 2a5l h LYS 187 Ca 0.20 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2a5l h LYS 187 Cb -0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2a5l h LYS 187 CO -0.04 0.94 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.99 2a5l h ARG 188 N 1.13 0.98 -0.38 1.90 2.43 -0.46 0.10 114.38 120.08 2a5l h ARG 188 Ca 0.26 -0.31 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2a5l h ARG 188 Cb 0.21 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2a5l h ARG 188 CO -0.02 0.98 0.18 -0.07 -1.51 0.00 0.00 179.97 179.53 2a5l h LEU 189 N 0.86 0.26 -0.05 3.80 3.38 -0.90 0.15 115.31 122.80 2a5l h LEU 189 Ca 0.16 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2a5l h LEU 189 Cb 0.55 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2a5l h LEU 189 CO 0.03 0.19 0.02 0.00 0.09 0.00 0.00 178.44 178.77 2a5l h ALA 190 N 1.21 0.07 -0.57 1.53 0.00 -1.02 -0.82 119.26 119.66 2a5l h ALA 190 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2a5l h ALA 190 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2a5l h ALA 190 CO -0.12 -0.34 0.26 0.93 0.00 0.00 0.00 179.25 179.97 2a5l h GLU 191 N -0.08 0.80 -0.25 0.00 5.08 -0.69 0.14 114.58 119.59 2a5l h GLU 191 Ca 0.02 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2a5l h GLU 191 Cb 0.18 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2a5l h GLU 191 CO -0.00 0.64 -0.13 1.15 -1.00 0.00 0.00 179.01 179.67 2a5l h THR 192 N 0.80 1.30 -0.78 1.13 2.02 -0.80 -1.34 112.91 115.25 2a5l h THR 192 Ca 0.20 -1.22 0.07 0.00 0.77 0.00 0.00 66.41 66.23 2a5l h THR 192 Cb 0.11 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 2a5l h THR 192 CO -0.02 0.38 0.45 0.00 0.37 0.00 0.00 175.52 176.70 2a5l h ALA 193 N 0.72 1.08 -0.35 6.16 0.00 -0.81 -1.00 119.26 125.06 2a5l h ALA 193 Ca 0.05 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2a5l h ALA 193 Cb 0.64 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2a5l h ALA 193 CO 0.04 0.13 0.15 0.78 0.00 0.00 0.00 179.25 180.34 2a5l h GLY 194 N 0.80 0.45 0.94 0.00 0.00 -0.42 -1.33 103.07 103.51 2a5l h GLY 194 Ca 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2a5l h GLY 194 CO -0.20 0.06 0.15 0.50 0.00 0.00 0.00 176.54 177.04 2a5l h LYS 195 N 0.31 0.43 -0.01 4.80 1.57 -0.71 -2.08 116.57 120.88 2a5l h LYS 195 Ca 0.15 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2a5l h LYS 195 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2a5l h LYS 195 CO -0.13 0.40 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.85 2a5l h LEU 196 N 0.35 0.01 0.00 2.94 3.38 -0.96 -2.85 115.31 118.18 2a5l h LEU 196 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2a5l h LEU 196 Cb 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2a5l h LEU 196 CO -0.01 0.24 -0.52 1.23 0.09 0.00 0.00 178.44 179.47 2a5l h GLY 197 N 0.70 0.00 0.00 0.83 0.00 -0.98 -3.51 103.07 100.10 2a5l h GLY 197 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a5l h GLY 197 CO 0.03 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.31