#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a61 s VAL 17 N 0.00 3.64 -1.28 1.39 1.01 -0.54 -4.00 120.40 120.62 1a61 s VAL 17 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1a61 s VAL 17 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1a61 s VAL 17 CO 0.00 0.49 0.00 -0.62 0.00 0.00 0.00 175.10 174.97 1a61 n GLU 18 N 3.68 -0.98 0.00 2.72 -0.58 -1.26 -3.25 120.64 120.97 1a61 n GLU 18 Ca -0.18 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 1a61 n GLU 18 Cb 0.52 -4.96 0.00 0.00 -0.57 0.00 0.00 31.44 26.44 1a61 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a61 n GLY 19 N -1.20 1.64 3.52 0.62 0.00 -1.26 -4.66 105.19 103.84 1a61 n GLY 19 Ca -0.14 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1a61 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a61 s SER 20 N -1.00 -0.37 0.42 1.61 1.04 -0.60 -4.89 113.70 109.91 1a61 s SER 20 Ca 0.00 0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.24 1a61 s SER 20 Cb 0.00 0.37 -0.10 0.00 0.10 0.00 0.00 66.02 66.39 1a61 s SER 20 CO 0.00 -0.57 1.34 0.47 0.98 0.00 0.00 173.24 175.46 1a61 n ASP 21 N -0.09 2.90 -4.84 7.02 8.00 -1.26 0.00 116.55 128.29 1a61 n ASP 21 Ca -0.09 1.13 -0.30 0.00 0.71 0.00 0.00 54.79 56.24 1a61 n ASP 21 Cb 0.61 -1.54 0.07 0.00 -0.02 0.00 0.00 41.12 40.24 1a61 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a61 s ALA 22 N -1.18 2.59 0.64 2.24 0.00 0.81 -4.80 121.76 122.05 1a61 s ALA 22 Ca 0.60 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1a61 s ALA 22 Cb -0.49 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1a61 s ALA 22 CO 0.59 -1.41 0.96 -1.21 0.00 0.00 0.00 175.76 174.68 1a61 s GLU 23 N -5.25 2.61 0.28 0.00 2.02 -1.26 -4.91 118.70 112.18 1a61 s GLU 23 Ca 0.59 -0.10 -0.25 0.00 0.02 0.00 0.00 54.97 55.23 1a61 s GLU 23 Cb -0.13 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 1a61 s GLU 23 CO 0.53 -0.94 0.89 0.42 0.02 0.00 0.00 175.26 176.17 1a61 s ILE 24 N -3.11 4.28 -1.44 -1.63 -1.09 -1.26 -2.67 121.20 114.28 1a61 s ILE 24 Ca 0.57 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.72 1a61 s ILE 24 Cb -0.11 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1a61 s ILE 24 CO 0.45 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.99 1a61 n GLY 25 N 0.77 1.35 0.18 6.18 0.00 -1.26 -4.91 105.19 107.50 1a61 n GLY 25 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1a61 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1a61 h MET 26 N 0.04 0.27 -2.51 1.61 -1.53 -1.89 -3.38 114.93 107.53 1a61 h MET 26 Ca -0.28 -0.16 -0.60 0.00 -3.44 0.00 0.00 59.70 55.23 1a61 h MET 26 Cb 1.10 0.01 -0.39 0.00 -0.55 0.00 0.00 31.60 31.77 1a61 h MET 26 CO 0.41 0.73 -0.87 0.43 0.14 0.00 0.00 176.91 177.74 1a61 n SER 27 N -3.94 0.61 0.00 1.39 7.64 -1.26 -4.99 113.62 113.07 1a61 n SER 27 Ca -0.02 -2.65 0.09 0.00 1.01 0.00 0.00 58.87 57.30 1a61 n SER 27 Cb 0.56 -0.62 0.45 0.00 -1.01 0.00 0.00 64.21 63.59 1a61 n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a61 n PRO 28 N 2.43 0.13 0.00 1.43 -0.04 -1.26 -1.73 135.00 135.96 1a61 n PRO 28 Ca 0.27 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1a61 n PRO 28 Cb 0.45 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.57 1a61 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a61 n TRP 29 N -1.40 0.00 -2.30 0.54 2.14 -1.01 -1.19 117.44 114.22 1a61 n TRP 29 Ca 0.07 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.21 1a61 n TRP 29 Cb 0.19 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.66 1a61 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1a61 s GLN 30 N -2.08 4.15 0.12 -2.67 2.00 -0.70 0.45 119.66 120.92 1a61 s GLN 30 Ca 0.28 1.74 0.06 0.00 -2.00 0.00 0.00 55.36 55.44 1a61 s GLN 30 Cb 0.20 -3.85 -0.04 0.00 0.80 0.00 0.00 33.01 30.12 1a61 s GLN 30 CO 0.35 -0.84 -0.01 0.08 -0.50 0.00 0.00 175.29 174.38 1a61 s VAL 31 N 3.88 3.86 -0.20 1.34 1.01 -0.37 -4.16 120.40 125.76 1a61 s VAL 31 Ca 0.61 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1a61 s VAL 31 Cb -0.24 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1a61 s VAL 31 CO 0.20 0.03 -0.07 -0.32 0.00 0.00 0.00 175.10 174.94 1a61 s MET 32 N -2.55 3.37 -0.20 2.72 1.75 0.11 -2.04 119.30 122.46 1a61 s MET 32 Ca 0.26 -0.64 -0.26 0.00 -1.25 0.00 0.00 55.69 53.80 1a61 s MET 32 Cb -0.11 -2.92 -0.01 0.00 2.84 0.00 0.00 34.83 34.64 1a61 s MET 32 CO 0.18 -0.12 0.88 -0.51 -0.65 0.00 0.00 175.02 174.80 1a61 s LEU 33 N 1.25 4.14 -0.12 4.11 1.43 0.22 -1.68 118.68 128.02 1a61 s LEU 33 Ca 0.03 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 1a61 s LEU 33 Cb -0.14 -3.29 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1a61 s LEU 33 CO -0.02 -0.48 -0.19 0.12 0.23 0.00 0.00 176.35 176.01 1a61 s PHE 34 N 2.52 2.29 0.10 0.29 5.36 0.56 0.26 117.98 129.36 1a61 s PHE 34 Ca 0.39 -1.09 -0.30 0.00 -0.96 0.00 0.00 56.93 54.96 1a61 s PHE 34 Cb -0.16 -1.59 -0.06 0.00 -0.34 0.00 0.00 43.02 40.87 1a61 s PHE 34 CO 0.10 -0.52 1.04 0.50 -1.46 0.00 0.00 175.22 174.88 1a61 s ARG 35 N 0.85 4.61 0.26 10.12 3.52 0.51 -1.95 118.95 136.87 1a61 s ARG 35 Ca -0.08 1.57 -0.00 0.00 -0.13 0.00 0.00 55.73 57.08 1a61 s ARG 35 Cb -0.15 -3.36 0.35 0.00 -1.56 0.00 0.00 34.95 30.23 1a61 s ARG 35 CO -0.01 0.06 1.73 0.87 -0.81 0.00 0.00 175.30 177.14 1a61 h LYS 36 N 5.84 0.66 -1.01 5.12 1.57 -1.86 -1.61 116.57 125.28 1a61 h LYS 36 Ca -0.43 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.20 1a61 h LYS 36 Cb 1.21 -0.06 -0.21 0.00 0.08 0.00 0.00 32.23 33.25 1a61 h LYS 36 CO 0.74 0.77 -0.33 0.45 -0.57 0.00 0.00 179.45 180.51 1a61 s SER 36 N -6.73 -1.48 0.77 0.86 0.15 -1.26 -3.69 113.70 102.32 1a61 s SER 36 Ca -0.08 0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.97 1a61 s SER 36 Cb 0.14 2.09 0.06 0.00 -1.71 0.00 0.00 66.02 66.60 1a61 s SER 36 CO 0.80 -0.28 1.12 -2.16 1.20 0.00 0.00 173.24 173.93 1a61 s PRO 37 N 2.84 2.11 0.16 5.44 0.04 -1.26 -5.07 135.00 139.26 1a61 s PRO 37 Ca 0.15 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 1a61 s PRO 37 Cb -0.13 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1a61 s PRO 37 CO -0.23 -1.79 1.35 -0.65 0.04 0.00 0.00 177.00 175.72 1a61 s GLN 38 N -4.52 4.35 -0.29 4.56 -0.21 -1.24 -4.60 119.66 117.71 1a61 s GLN 38 Ca 0.66 2.07 -0.28 0.00 0.02 0.00 0.00 55.36 57.83 1a61 s GLN 38 Cb -0.21 -3.22 0.19 0.00 1.00 0.00 0.00 33.01 30.77 1a61 s GLN 38 CO 0.51 -0.35 1.38 -1.83 -2.12 0.00 0.00 175.29 172.89 1a61 s GLU 39 N 0.48 0.06 -0.37 2.91 -1.05 -0.61 -4.92 118.70 115.22 1a61 s GLU 39 Ca 0.61 0.03 -0.28 0.00 -0.15 0.00 0.00 54.97 55.17 1a61 s GLU 39 Cb -0.37 0.03 -0.01 0.00 -0.44 0.00 0.00 34.13 33.34 1a61 s GLU 39 CO 0.34 -0.02 1.67 -1.17 0.95 0.00 0.00 175.26 177.04 1a61 s LEU 40 N -0.72 3.52 -0.01 1.83 2.96 -1.26 0.19 118.68 125.18 1a61 s LEU 40 Ca 0.08 1.10 -0.20 0.00 -0.22 0.00 0.00 54.13 54.89 1a61 s LEU 40 Cb -0.02 -3.48 -0.11 0.00 0.50 0.00 0.00 46.19 43.07 1a61 s LEU 40 CO -0.10 -1.64 0.85 -0.07 -1.32 0.00 0.00 176.35 174.07 1a61 h LEU 41 N 13.27 -0.62 0.00 -0.68 4.07 -0.53 -3.47 115.31 127.34 1a61 h LEU 41 Ca -0.31 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1a61 h LEU 41 Cb 1.15 0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1a61 h LEU 41 CO 1.06 -0.22 0.00 0.00 -1.08 0.00 0.00 178.44 178.19 1a61 s GLY 43 N -0.80 1.82 0.05 0.00 0.00 -0.23 0.70 107.32 108.85 1a61 s GLY 43 Ca 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 44.72 42.64 1a61 s GLY 43 CO 0.00 -1.67 0.37 0.00 0.00 0.00 0.00 173.10 171.80 1a61 n ALA 44 N -2.13 -0.99 -3.03 3.20 0.00 -0.87 -3.72 120.51 112.97 1a61 n ALA 44 Ca 0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1a61 n ALA 44 Cb 0.61 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 1a61 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a61 s SER 45 N -1.87 -0.01 -0.32 0.00 1.04 0.38 -1.23 113.70 111.69 1a61 s SER 45 Ca 0.08 -0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 1a61 s SER 45 Cb -0.01 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1a61 s SER 45 CO 0.01 -0.46 0.61 -0.22 0.98 0.00 0.00 173.24 174.17 1a61 s LEU 46 N -1.65 4.18 -0.03 2.42 1.98 0.17 0.02 118.68 125.77 1a61 s LEU 46 Ca -0.11 0.34 0.10 0.00 -2.89 0.00 0.00 54.13 51.57 1a61 s LEU 46 Cb -0.05 -2.78 -0.16 0.00 0.66 0.00 0.00 46.19 43.87 1a61 s LEU 46 CO -0.00 -0.49 0.19 2.30 -1.89 0.00 0.00 176.35 176.46 1a61 n ILE 47 N 5.42 0.14 -3.94 6.68 -5.35 -1.00 -1.09 119.36 120.23 1a61 n ILE 47 Ca -0.02 -0.28 -0.10 0.00 -0.27 0.00 0.00 62.75 62.08 1a61 n ILE 47 Cb 0.49 0.05 -0.02 0.00 -1.74 0.00 0.00 39.64 38.42 1a61 n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1a61 s SER 48 N -3.44 0.14 0.00 7.28 1.04 -1.22 -4.62 113.70 112.88 1a61 s SER 48 Ca -0.04 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1a61 s SER 48 Cb 0.06 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1a61 s SER 48 CO 0.44 -1.39 0.52 -0.90 0.98 0.00 0.00 173.24 172.89 1a61 n ASP 49 N -0.95 0.58 0.00 7.02 5.75 -1.26 -2.94 116.55 124.74 1a61 n ASP 49 Ca -0.04 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1a61 n ASP 49 Cb 0.61 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1a61 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a61 n ARG 50 N -0.07 0.00 -4.88 0.11 1.74 -1.26 -0.08 116.66 112.21 1a61 n ARG 50 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1a61 n ARG 50 Cb 0.14 -0.12 -0.16 0.00 -1.02 0.00 0.00 32.46 31.30 1a61 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1a61 s TRP 51 N 0.00 1.87 -0.07 -1.55 0.52 -1.15 0.93 118.94 119.49 1a61 s TRP 51 Ca 0.00 -0.62 0.04 0.00 0.02 0.00 0.00 56.10 55.54 1a61 s TRP 51 Cb 0.00 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 1a61 s TRP 51 CO 0.00 -0.24 -0.20 0.08 0.02 0.00 0.00 176.95 176.61 1a61 s VAL 52 N 0.22 2.48 -0.20 4.03 1.01 -0.60 -2.38 120.40 124.97 1a61 s VAL 52 Ca -0.09 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1a61 s VAL 52 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1a61 s VAL 52 CO 0.04 0.57 0.11 -0.22 0.00 0.00 0.00 175.10 175.59 1a61 s LEU 53 N -0.22 4.05 0.00 3.92 2.96 0.10 -1.94 118.68 127.56 1a61 s LEU 53 Ca -0.01 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1a61 s LEU 53 Cb -0.13 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1a61 s LEU 53 CO 0.03 0.16 0.05 1.07 -1.32 0.00 0.00 176.35 176.35 1a61 n THR 54 N 3.62 0.00 -3.38 3.68 5.66 -0.82 -0.47 114.28 122.56 1a61 n THR 54 Ca -0.16 -0.52 -0.38 0.00 -3.05 0.00 0.00 64.05 59.95 1a61 n THR 54 Cb 0.52 0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 1a61 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a61 s ALA 55 N -2.27 3.52 0.39 1.79 0.00 -1.26 -1.92 121.76 122.00 1a61 s ALA 55 Ca 0.07 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1a61 s ALA 55 Cb 0.00 -2.58 0.81 0.00 0.00 0.00 0.00 23.12 21.35 1a61 s ALA 55 CO 0.05 -0.03 1.98 0.00 0.00 0.00 0.00 175.76 177.76 1a61 h ALA 56 N 6.83 1.59 0.00 0.00 0.00 -1.66 -2.70 119.26 123.33 1a61 h ALA 56 Ca -0.40 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a61 h ALA 56 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1a61 h ALA 56 CO 0.75 0.31 0.00 -2.39 0.00 0.00 0.00 179.25 177.92 1a61 n HIS 57 N -4.38 0.45 0.12 0.00 1.44 -1.26 -1.21 115.22 110.39 1a61 n HIS 57 Ca 0.01 0.21 -0.02 0.00 -2.01 0.00 0.00 57.72 55.91 1a61 n HIS 57 Cb 0.16 -0.84 0.12 0.00 0.12 0.00 0.00 29.99 29.55 1a61 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a61 n LEU 59 N -3.73 2.27 -3.82 0.00 4.77 -0.45 -4.88 117.00 111.17 1a61 n LEU 59 Ca -0.01 -0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.62 1a61 n LEU 59 Cb 0.67 -0.59 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 1a61 n LEU 59 CO 0.43 0.83 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.70 1a61 s LEU 60 N -6.30 1.09 0.12 2.23 2.96 -0.35 -0.61 118.68 117.82 1a61 s LEU 60 Ca -0.29 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 52.99 1a61 s LEU 60 Cb 0.08 -0.67 0.05 0.00 0.50 0.00 0.00 46.19 46.15 1a61 s LEU 60 CO 0.66 -0.20 0.47 -0.47 -1.32 0.00 0.00 176.35 175.49 1a61 s TYR 60 N 1.81 -0.33 0.00 5.38 5.04 0.33 -4.12 117.35 125.47 1a61 s TYR 60 Ca 0.02 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 1a61 s TYR 60 Cb -0.14 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1a61 s TYR 60 CO -0.07 -0.74 0.00 -2.30 -1.34 0.00 0.00 175.55 171.10 1a61 n PRO 60 N -0.18 0.00 -0.16 4.97 -0.02 -1.26 -1.32 135.00 137.02 1a61 n PRO 60 Ca -0.17 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.42 1a61 n PRO 60 Cb 0.64 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.30 1a61 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1a61 n TRP 60 N 0.00 0.43 -3.37 6.00 8.01 -1.26 -4.96 117.44 122.29 1a61 n TRP 60 Ca 0.00 -0.24 -0.21 0.00 -1.31 0.00 0.00 57.50 55.74 1a61 n TRP 60 Cb 0.00 -0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.36 1a61 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1a61 n ASP 60 N 1.31 -5.78 -4.41 -0.99 8.00 -0.86 -4.96 116.55 108.86 1a61 n ASP 60 Ca 0.17 -0.43 -0.37 0.00 0.71 0.00 0.00 54.79 54.86 1a61 n ASP 60 Cb 0.56 -4.43 -0.12 0.00 -0.02 0.00 0.00 41.12 37.11 1a61 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1a61 s LYS 60 N -6.05 3.39 -0.43 -1.24 2.20 -0.43 -4.99 119.74 112.18 1a61 s LYS 60 Ca 0.47 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 55.49 1a61 s LYS 60 Cb -0.21 -3.41 0.22 0.00 -1.51 0.00 0.00 37.83 32.92 1a61 s LYS 60 CO 0.59 -0.33 0.55 -1.71 -0.36 0.00 0.00 175.35 174.09 1a61 n ASN 60 N 4.92 -0.97 -4.82 1.43 5.15 -1.23 0.12 115.26 119.87 1a61 n ASN 60 Ca -0.15 -2.72 -0.33 0.00 -0.60 0.00 0.00 54.58 50.78 1a61 n ASN 60 Cb 0.50 0.08 -0.06 0.00 -0.53 0.00 0.00 39.78 39.77 1a61 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1a61 s PHE 60 N -0.25 3.23 0.31 1.20 0.08 0.22 -4.99 117.98 117.78 1a61 s PHE 60 Ca 0.33 1.59 0.10 0.00 0.12 0.00 0.00 56.93 59.07 1a61 s PHE 60 Cb 0.12 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 1a61 s PHE 60 CO -0.15 -0.35 -0.07 -0.08 -0.10 0.00 0.00 175.22 174.46 1a61 s THR 60 N -2.17 2.62 0.19 0.64 -1.32 -1.26 -4.85 115.64 109.50 1a61 s THR 60 Ca 0.63 -2.13 -0.12 0.00 -1.21 0.00 0.00 61.69 58.86 1a61 s THR 60 Cb -0.11 -2.64 0.13 0.00 -1.51 0.00 0.00 72.50 68.37 1a61 s THR 60 CO 0.17 -0.28 1.70 -0.33 -2.21 0.00 0.00 174.62 173.67 1a61 h GLU 61 N 1.99 0.18 -0.88 7.08 3.07 -1.94 -1.44 114.58 122.65 1a61 h GLU 61 Ca -0.42 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 58.60 1a61 h GLU 61 Cb 1.25 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 29.06 1a61 h GLU 61 CO 0.65 0.12 0.57 -0.91 -1.40 0.00 0.00 179.01 178.04 1a61 h ASN 62 N 0.19 0.49 0.77 1.42 4.21 -1.96 -2.83 115.58 117.87 1a61 h ASN 62 Ca 0.27 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1a61 h ASN 62 Cb 0.39 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1a61 h ASN 62 CO -0.39 0.22 0.00 0.44 -1.29 0.00 0.00 177.43 176.41 1a61 h ASP 63 N 0.50 0.00 -3.03 5.81 3.32 -1.65 -3.47 116.42 117.89 1a61 h ASP 63 Ca 0.45 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 57.02 1a61 h ASP 63 Cb 0.98 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 1a61 h ASP 63 CO -0.18 0.00 -0.72 -0.76 -1.72 0.00 0.00 179.24 175.85 1a61 s LEU 64 N -6.09 2.54 -0.03 1.55 1.43 -1.07 -3.40 118.68 113.63 1a61 s LEU 64 Ca -0.00 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1a61 s LEU 64 Cb 0.10 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.62 1a61 s LEU 64 CO 0.50 -0.18 -0.04 -0.76 0.23 0.00 0.00 176.35 176.10 1a61 s LEU 65 N -3.37 1.50 -0.18 1.79 1.02 -0.82 -4.48 118.68 114.14 1a61 s LEU 65 Ca 0.25 -0.09 -0.06 0.00 0.02 0.00 0.00 54.13 54.25 1a61 s LEU 65 Cb -0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 46.19 45.83 1a61 s LEU 65 CO 0.09 -0.03 0.01 -0.69 0.02 0.00 0.00 176.35 175.75 1a61 s VAL 66 N 0.62 4.28 -0.17 -1.59 1.01 -0.80 0.21 120.40 123.95 1a61 s VAL 66 Ca -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1a61 s VAL 66 Cb -0.11 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.40 1a61 s VAL 66 CO -0.00 0.46 -0.06 -0.13 0.00 0.00 0.00 175.10 175.36 1a61 s ARG 67 N 0.53 1.57 -0.01 2.72 0.52 -0.68 -0.89 118.95 122.72 1a61 s ARG 67 Ca 0.00 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1a61 s ARG 67 Cb -0.14 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 1a61 s ARG 67 CO 0.02 -0.43 0.04 0.42 0.02 0.00 0.00 175.30 175.37 1a61 s ILE 68 N 1.58 4.45 0.00 1.52 1.01 -0.30 -0.71 121.20 128.75 1a61 s ILE 68 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1a61 s ILE 68 Cb -0.16 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1a61 s ILE 68 CO -0.08 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1a61 n GLY 69 N 1.32 0.65 3.85 6.18 0.00 -1.26 -0.41 105.19 115.53 1a61 n GLY 69 Ca -0.14 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1a61 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a61 s LYS 70 N -0.67 3.93 0.00 1.61 1.02 -1.26 -4.57 119.74 119.80 1a61 s LYS 70 Ca 0.00 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1a61 s LYS 70 Cb 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1a61 s LYS 70 CO 0.00 -0.23 0.00 1.58 -0.92 0.00 0.00 175.35 175.78 1a61 n HIS 71 N -1.52 0.00 -2.77 3.18 -0.00 -1.26 -4.96 115.22 107.89 1a61 n HIS 71 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.36 1a61 n HIS 71 Cb 0.54 0.15 -0.03 0.00 -0.00 0.00 0.00 29.99 30.65 1a61 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1a61 s SER 72 N -4.97 7.28 0.12 0.26 0.15 -1.26 -1.10 113.70 114.17 1a61 s SER 72 Ca 0.00 1.55 -0.17 0.00 0.70 0.00 0.00 55.95 58.03 1a61 s SER 72 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1a61 s SER 72 CO 0.00 -0.26 1.67 -0.09 1.20 0.00 0.00 173.24 175.77 1a61 h ARG 73 N 6.84 0.50 0.00 5.44 2.43 -1.22 -3.39 114.38 124.98 1a61 h ARG 73 Ca -0.40 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1a61 h ARG 73 Cb 1.21 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1a61 h ARG 73 CO 0.76 0.49 -1.39 0.25 -1.51 0.00 0.00 179.97 178.57 1a61 n THR 74 N -4.71 0.01 -2.18 0.20 -2.24 -1.26 -4.99 114.28 99.10 1a61 n THR 74 Ca -0.01 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 1a61 n THR 74 Cb 0.13 0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1a61 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a61 s ARG 75 N -2.58 3.29 -0.64 -0.78 1.81 -1.26 -4.99 118.95 113.79 1a61 s ARG 75 Ca -0.03 1.53 -0.23 0.00 -1.72 0.00 0.00 55.73 55.28 1a61 s ARG 75 Cb 0.05 -2.00 0.06 0.00 -0.45 0.00 0.00 34.95 32.61 1a61 s ARG 75 CO 0.35 -0.89 0.98 -0.47 -0.68 0.00 0.00 175.30 174.60 1a61 s TYR 76 N -1.93 2.67 -1.09 -0.53 5.04 -1.26 -4.86 117.35 115.39 1a61 s TYR 76 Ca 0.71 -0.42 -0.22 0.00 -2.44 0.00 0.00 57.07 54.69 1a61 s TYR 76 Cb -0.22 -4.27 -0.02 0.00 0.35 0.00 0.00 41.96 37.80 1a61 s TYR 76 CO 0.30 -1.62 1.81 -1.21 -1.34 0.00 0.00 175.55 173.48 1a61 s GLU 77 N 4.16 3.01 0.04 4.97 2.02 -1.26 -4.96 118.70 126.67 1a61 s GLU 77 Ca 0.24 -1.05 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1a61 s GLU 77 Cb -0.15 -5.27 -0.08 0.00 0.10 0.00 0.00 34.13 28.73 1a61 s GLU 77 CO 0.12 -3.13 1.79 0.50 0.02 0.00 0.00 175.26 174.56 1a61 s ARG 77 N 5.92 4.16 0.00 1.61 3.52 -1.26 -1.34 118.95 131.57 1a61 s ARG 77 Ca 0.62 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.66 1a61 s ARG 77 Cb -0.02 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 1a61 s ARG 77 CO 0.03 -0.85 0.00 0.09 -0.81 0.00 0.00 175.30 173.76 1a61 n ASN 78 N 6.60 0.00 -0.07 -2.12 5.03 -1.26 -4.81 115.26 118.64 1a61 n ASN 78 Ca 0.18 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.49 1a61 n ASN 78 Cb 0.41 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.12 1a61 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1a61 n ILE 79 N -2.00 0.87 -3.43 2.41 5.41 -0.45 -5.05 119.36 117.12 1a61 n ILE 79 Ca 0.00 -0.14 -0.38 0.00 1.00 0.00 0.00 62.75 63.24 1a61 n ILE 79 Cb 0.00 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.13 1a61 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1a61 s GLU 80 N -2.29 4.11 -0.16 0.38 -1.05 -0.48 -4.78 118.70 114.43 1a61 s GLU 80 Ca -0.19 0.41 -0.08 0.00 -0.15 0.00 0.00 54.97 54.96 1a61 s GLU 80 Cb 0.07 -3.31 -0.04 0.00 -0.44 0.00 0.00 34.13 30.40 1a61 s GLU 80 CO 0.25 0.47 0.10 0.15 0.95 0.00 0.00 175.26 177.18 1a61 s LYS 81 N -0.36 3.79 -0.20 -4.83 3.01 0.45 -4.91 119.74 116.70 1a61 s LYS 81 Ca 0.24 -0.25 -0.05 0.00 -1.01 0.00 0.00 55.97 54.90 1a61 s LYS 81 Cb -0.16 -3.23 -0.02 0.00 -1.01 0.00 0.00 37.83 33.41 1a61 s LYS 81 CO 0.12 0.47 0.00 0.42 0.51 0.00 0.00 175.35 176.87 1a61 s ILE 82 N -0.16 3.96 0.44 2.17 1.01 -1.26 -1.15 121.20 126.21 1a61 s ILE 82 Ca 0.09 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1a61 s ILE 82 Cb -0.12 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1a61 s ILE 82 CO 0.01 0.43 0.06 -0.44 0.00 0.00 0.00 174.94 175.00 1a61 s SER 83 N 1.00 3.33 0.12 3.58 0.01 -0.07 -5.00 113.70 116.66 1a61 s SER 83 Ca 0.02 -1.61 0.08 0.00 1.31 0.00 0.00 55.95 55.75 1a61 s SER 83 Cb -0.14 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1a61 s SER 83 CO 0.02 -0.82 -0.14 -0.04 0.41 0.00 0.00 173.24 172.66 1a61 s MET 84 N -3.79 1.93 0.00 12.44 -1.94 -1.26 -1.91 119.30 124.76 1a61 s MET 84 Ca 0.20 -1.14 -0.16 0.00 -1.71 0.00 0.00 55.69 52.88 1a61 s MET 84 Cb 0.04 -2.18 -0.06 0.00 2.01 0.00 0.00 34.83 34.64 1a61 s MET 84 CO 0.11 0.48 0.44 -0.51 -0.01 0.00 0.00 175.02 175.53 1a61 s LEU 85 N -2.25 4.47 0.07 -0.03 1.43 -1.26 -0.74 118.68 120.37 1a61 s LEU 85 Ca 0.20 1.00 0.22 0.00 -1.03 0.00 0.00 54.13 54.52 1a61 s LEU 85 Cb -0.10 -2.64 -0.18 0.00 0.03 0.00 0.00 46.19 43.29 1a61 s LEU 85 CO 0.12 0.30 0.74 1.21 0.23 0.00 0.00 176.35 178.94 1a61 n GLU 86 N 1.92 0.62 -3.64 1.70 2.13 0.13 -4.61 120.64 118.90 1a61 n GLU 86 Ca -0.13 -0.06 -0.02 0.00 0.66 0.00 0.00 57.16 57.61 1a61 n GLU 86 Cb 0.52 -1.65 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 1a61 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1a61 s LYS 87 N -3.44 0.08 -0.08 5.31 2.36 -1.19 -5.00 119.74 117.78 1a61 s LYS 87 Ca -0.04 0.00 0.05 0.00 -2.55 0.00 0.00 55.97 53.42 1a61 s LYS 87 Cb 0.12 0.04 -0.00 0.00 -1.05 0.00 0.00 37.83 36.93 1a61 s LYS 87 CO 0.86 -0.03 -0.23 0.42 1.55 0.00 0.00 175.35 177.92 1a61 s ILE 88 N -1.40 1.94 -0.23 5.43 1.01 -1.26 -1.90 121.20 124.78 1a61 s ILE 88 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1a61 s ILE 88 Cb -0.01 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.85 1a61 s ILE 88 CO -0.06 0.54 -0.11 -0.31 0.00 0.00 0.00 174.94 175.00 1a61 s TYR 89 N 0.14 2.85 0.08 3.97 1.51 -0.28 -5.00 117.35 120.63 1a61 s TYR 89 Ca -0.11 -1.97 -0.11 0.00 -1.01 0.00 0.00 57.07 53.87 1a61 s TYR 89 Cb -0.16 -1.80 -0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1a61 s TYR 89 CO 0.06 -0.82 0.42 0.42 -1.11 0.00 0.00 175.55 174.52 1a61 s ILE 90 N 1.25 5.06 0.02 2.71 -1.09 -1.26 0.08 121.20 127.96 1a61 s ILE 90 Ca -0.05 0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 58.59 1a61 s ILE 90 Cb -0.18 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 1a61 s ILE 90 CO -0.07 0.30 1.61 -2.28 -1.23 0.00 0.00 174.94 173.26 1a61 s HIS 91 N -1.39 2.37 0.37 3.97 5.65 -0.97 -4.80 115.29 120.48 1a61 s HIS 91 Ca 0.33 0.37 0.17 0.00 0.25 0.00 0.00 55.06 56.19 1a61 s HIS 91 Cb -0.14 -3.89 1.10 0.00 -1.18 0.00 0.00 32.58 28.46 1a61 s HIS 91 CO 0.18 -3.60 1.71 -1.00 -0.65 0.00 0.00 174.74 171.39 1a61 h PRO 92 N 8.60 0.37 -0.88 2.88 0.13 -1.94 -2.76 132.00 138.40 1a61 h PRO 92 Ca -0.41 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1a61 h PRO 92 Cb 1.19 -0.08 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 1a61 h PRO 92 CO 0.93 0.24 0.50 0.54 -0.23 0.00 0.00 178.00 179.99 1a61 n ARG 93 N -4.79 2.45 -2.40 0.86 1.74 -1.26 -5.00 116.66 108.25 1a61 n ARG 93 Ca 0.29 -3.23 -0.41 0.00 -0.77 0.00 0.00 57.85 53.72 1a61 n ARG 93 Cb 0.95 -2.17 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1a61 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1a61 s TYR 94 N -3.51 3.46 -0.85 -1.55 5.04 -1.04 -4.65 117.35 114.25 1a61 s TYR 94 Ca 0.57 1.48 -0.07 0.00 -2.44 0.00 0.00 57.07 56.62 1a61 s TYR 94 Cb 0.47 -3.39 0.22 0.00 0.35 0.00 0.00 41.96 39.61 1a61 s TYR 94 CO 0.04 -1.05 0.75 1.21 -1.34 0.00 0.00 175.55 175.16 1a61 s ASN 95 N -0.01 6.25 0.39 4.32 3.84 0.22 -4.82 114.94 125.12 1a61 s ASN 95 Ca 0.51 -3.19 0.21 0.00 0.21 0.00 0.00 52.86 50.60 1a61 s ASN 95 Cb -0.32 -2.03 0.32 0.00 -0.55 0.00 0.00 41.25 38.67 1a61 s ASN 95 CO 0.37 -0.36 1.58 4.11 -2.79 0.00 0.00 177.10 180.01 1a61 h TRP 96 N 6.88 0.00 -0.22 0.43 5.08 -1.94 0.42 115.95 126.60 1a61 h TRP 96 Ca 0.10 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.91 1a61 h TRP 96 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 1a61 h TRP 96 CO 0.81 0.19 -0.52 0.00 -1.28 0.00 0.00 178.44 177.64 1a61 h ARG 97 N 0.00 0.64 0.00 0.12 3.08 -1.98 -3.43 114.38 112.80 1a61 h ARG 97 Ca -0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1a61 h ARG 97 Cb 1.10 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1a61 h ARG 97 CO 0.03 1.00 -0.06 -1.91 -1.07 0.00 0.00 179.97 177.96 1a61 n GLU 97 N -3.98 0.03 0.00 0.04 2.13 -1.25 -5.01 120.64 112.61 1a61 n GLU 97 Ca -0.03 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1a61 n GLU 97 Cb 0.60 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.86 1a61 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1a61 n ASN 98 N -3.32 0.85 -0.28 4.31 0.23 -1.22 -4.99 115.26 110.85 1a61 n ASN 98 Ca -0.01 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 1a61 n ASN 98 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1a61 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1a61 n LEU 99 N -0.17 -1.56 -4.72 -4.53 4.77 0.15 -4.96 117.00 105.97 1a61 n LEU 99 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1a61 n LEU 99 Cb 0.28 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1a61 n LEU 99 CO 0.00 0.00 0.77 -0.62 -1.33 0.00 0.00 177.39 176.21 1a61 s ASP 100 N -3.00 7.28 -0.74 -1.43 2.15 -1.15 -3.26 116.67 116.52 1a61 s ASP 100 Ca 0.00 1.93 -0.04 0.00 0.43 0.00 0.00 52.55 54.87 1a61 s ASP 100 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1a61 s ASP 100 CO 0.00 -0.27 0.53 0.54 -0.17 0.00 0.00 175.17 175.80 1a61 n ARG 101 N 3.18 -3.69 -2.04 4.34 1.74 -1.26 0.71 116.66 119.64 1a61 n ARG 101 Ca 0.05 0.44 -0.38 0.00 -0.77 0.00 0.00 57.85 57.20 1a61 n ARG 101 Cb 0.48 -4.31 -0.03 0.00 -1.02 0.00 0.00 32.46 27.57 1a61 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1a61 n ASP 102 N -0.74 3.74 -3.72 0.55 2.03 -1.20 -4.44 116.55 112.77 1a61 n ASP 102 Ca -0.01 -2.79 -0.14 0.00 0.52 0.00 0.00 54.79 52.37 1a61 n ASP 102 Cb 0.54 -1.63 -0.09 0.00 -0.72 0.00 0.00 41.12 39.23 1a61 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a61 s ILE 103 N 6.54 0.02 0.11 5.18 2.07 -1.26 -3.79 121.20 130.07 1a61 s ILE 103 Ca 0.58 -0.20 -0.15 0.00 -1.41 0.00 0.00 60.65 59.47 1a61 s ILE 103 Cb 0.06 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 42.03 1a61 s ILE 103 CO 0.08 -0.11 0.37 0.00 -1.91 0.00 0.00 174.94 173.37 1a61 s ALA 104 N -0.60 -0.82 0.10 1.50 0.00 -0.81 -2.30 121.76 118.82 1a61 s ALA 104 Ca -0.07 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 51.85 1a61 s ALA 104 Cb -0.04 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1a61 s ALA 104 CO 0.03 -0.60 -0.17 -0.51 0.00 0.00 0.00 175.76 174.51 1a61 s LEU 105 N -2.72 2.32 -0.16 0.00 1.43 0.11 -1.95 118.68 117.71 1a61 s LEU 105 Ca 0.02 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1a61 s LEU 105 Cb 0.02 -0.67 0.06 0.00 0.03 0.00 0.00 46.19 45.62 1a61 s LEU 105 CO -0.11 -0.04 0.07 -0.04 0.23 0.00 0.00 176.35 176.46 1a61 s MET 106 N -2.07 0.25 -0.08 1.70 -1.94 -0.82 -1.12 119.30 115.23 1a61 s MET 106 Ca 0.04 -0.14 -0.30 0.00 -1.71 0.00 0.00 55.69 53.59 1a61 s MET 106 Cb -0.09 -1.77 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 1a61 s MET 106 CO 0.03 -0.62 1.01 0.21 -0.01 0.00 0.00 175.02 175.65 1a61 s LYS 107 N 2.05 4.44 0.59 2.03 2.20 -0.80 -1.55 119.74 128.71 1a61 s LYS 107 Ca 0.01 1.42 -0.18 0.00 -0.36 0.00 0.00 55.97 56.86 1a61 s LYS 107 Cb -0.16 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1a61 s LYS 107 CO -0.08 -0.27 1.16 -0.51 -0.36 0.00 0.00 175.35 175.28 1a61 s LEU 108 N 1.82 3.62 0.25 5.43 1.43 0.26 0.17 118.68 131.67 1a61 s LEU 108 Ca 0.50 2.22 -0.02 0.00 -1.03 0.00 0.00 54.13 55.80 1a61 s LEU 108 Cb -0.19 -4.58 0.29 0.00 0.03 0.00 0.00 46.19 41.74 1a61 s LEU 108 CO 0.20 -1.49 1.69 0.11 0.23 0.00 0.00 176.35 177.10 1a61 h LYS 109 N 0.77 0.69 -3.73 1.70 6.56 -1.19 -3.39 116.57 117.98 1a61 h LYS 109 Ca -0.49 -0.25 -0.14 0.00 -1.06 0.00 0.00 60.65 58.72 1a61 h LYS 109 Cb 1.27 -0.05 -0.19 0.00 -0.57 0.00 0.00 32.23 32.70 1a61 h LYS 109 CO 0.55 0.82 -0.53 -1.59 -2.06 0.00 0.00 179.45 176.64 1a61 s LYS 110 N -4.67 0.53 0.52 3.15 -2.85 -1.26 -4.98 119.74 110.18 1a61 s LYS 110 Ca -0.09 -0.63 -0.22 0.00 -1.00 0.00 0.00 55.97 54.03 1a61 s LYS 110 Cb 0.14 0.21 -0.06 0.00 -2.06 0.00 0.00 37.83 36.06 1a61 s LYS 110 CO 0.81 -0.13 1.27 -1.25 0.10 0.00 0.00 175.35 176.16 1a61 s PRO 111 N -2.14 3.33 -0.11 1.78 0.04 -1.26 -4.86 135.00 131.79 1a61 s PRO 111 Ca -0.09 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1a61 s PRO 111 Cb -0.04 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1a61 s PRO 111 CO -0.02 -0.97 0.15 0.54 0.04 0.00 0.00 177.00 176.73 1a61 s VAL 112 N -1.42 5.50 0.08 -0.36 0.11 0.89 -5.01 120.40 120.18 1a61 s VAL 112 Ca 0.70 0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 59.70 1a61 s VAL 112 Cb -0.35 -3.42 -0.07 0.00 -1.53 0.00 0.00 36.38 31.01 1a61 s VAL 112 CO 0.41 0.59 0.64 0.00 -3.33 0.00 0.00 175.10 173.41 1a61 s ALA 113 N -1.07 3.52 0.79 1.54 0.00 -1.26 -4.73 121.76 120.55 1a61 s ALA 113 Ca 0.17 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1a61 s ALA 113 Cb -0.12 -2.76 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1a61 s ALA 113 CO 0.06 0.30 1.12 -0.06 0.00 0.00 0.00 175.76 177.19 1a61 s PHE 114 N -0.87 2.99 0.05 0.00 0.08 -1.26 -4.95 117.98 114.01 1a61 s PHE 114 Ca 0.32 0.96 -0.09 0.00 0.12 0.00 0.00 56.93 58.25 1a61 s PHE 114 Cb -0.20 -3.24 0.03 0.00 -0.57 0.00 0.00 43.02 39.03 1a61 s PHE 114 CO 0.21 -1.65 0.40 -1.13 -0.10 0.00 0.00 175.22 172.95 1a61 n SER 115 N -3.30 -0.58 0.26 1.36 3.41 0.91 -4.94 113.62 110.74 1a61 n SER 115 Ca 0.07 -1.26 0.12 0.00 -0.26 0.00 0.00 58.87 57.54 1a61 n SER 115 Cb 0.58 0.93 0.68 0.00 -0.26 0.00 0.00 64.21 66.15 1a61 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1a61 h ASP 116 N 0.72 0.00 0.00 4.04 5.19 -1.99 -3.21 116.42 121.17 1a61 h ASP 116 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1a61 h ASP 116 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1a61 h ASP 116 CO 0.13 0.14 -1.14 -1.22 -3.12 0.00 0.00 179.24 174.03 1a61 n TYR 117 N -3.64 0.00 -3.89 4.55 4.01 -1.26 -4.74 117.16 112.19 1a61 n TYR 117 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1a61 n TYR 117 Cb 0.26 -0.12 -0.16 0.00 -0.31 0.00 0.00 39.34 39.01 1a61 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a61 s ILE 118 N -2.89 1.10 -0.08 -0.72 1.01 -1.21 -4.13 121.20 114.27 1a61 s ILE 118 Ca 0.03 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 1a61 s ILE 118 Cb 0.13 -1.27 0.06 0.00 0.01 0.00 0.00 42.46 41.40 1a61 s ILE 118 CO 0.76 0.13 0.63 -2.28 0.00 0.00 0.00 174.94 174.19 1a61 s HIS 119 N 1.64 -0.62 0.44 3.97 2.46 -0.34 -0.06 115.29 122.78 1a61 s HIS 119 Ca 0.01 1.14 -0.16 0.00 0.47 0.00 0.00 55.06 56.52 1a61 s HIS 119 Cb -0.15 0.35 -0.09 0.00 -0.13 0.00 0.00 32.58 32.56 1a61 s HIS 119 CO -0.08 -0.54 0.89 -1.25 -2.47 0.00 0.00 174.74 171.29 1a61 s PRO 120 N -0.94 4.01 0.32 2.88 0.04 -1.26 -2.40 135.00 137.64 1a61 s PRO 120 Ca -0.09 0.86 0.02 0.00 0.04 0.00 0.00 61.00 61.83 1a61 s PRO 120 Cb -0.01 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1a61 s PRO 120 CO 0.08 -0.09 0.50 0.54 0.04 0.00 0.00 177.00 178.07 1a61 s VAL 121 N -2.34 5.10 0.13 -0.36 0.11 -0.25 -4.90 120.40 117.90 1a61 s VAL 121 Ca 0.58 -0.63 -0.09 0.00 -2.93 0.00 0.00 61.98 58.91 1a61 s VAL 121 Cb -0.10 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 30.85 1a61 s VAL 121 CO 0.24 -0.48 0.45 0.00 -3.33 0.00 0.00 175.10 171.98 1a61 s LEU 123 N -2.26 4.41 0.54 0.00 1.43 -1.26 0.57 118.68 122.11 1a61 s LEU 123 Ca 0.38 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.01 1a61 s LEU 123 Cb -0.13 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 1a61 s LEU 123 CO 0.20 0.32 1.01 -2.16 0.23 0.00 0.00 176.35 175.95 1a61 s PRO 124 N -1.31 3.73 0.20 1.29 0.04 -1.26 -4.91 135.00 132.78 1a61 s PRO 124 Ca 0.23 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.28 1a61 s PRO 124 Cb -0.14 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1a61 s PRO 124 CO 0.11 -0.46 0.40 0.16 0.04 0.00 0.00 177.00 177.25 1a61 s ASP 125 N -3.03 6.39 0.32 6.66 -4.77 -1.26 -4.92 116.67 116.06 1a61 s ASP 125 Ca 0.60 0.41 0.10 0.00 -3.30 0.00 0.00 52.55 50.37 1a61 s ASP 125 Cb -0.12 -2.01 0.95 0.00 -1.09 0.00 0.00 42.92 40.65 1a61 s ASP 125 CO 0.34 -0.05 1.67 -0.09 0.70 0.00 0.00 175.17 177.74 1a61 h ARG 126 N 1.99 0.33 0.14 2.11 2.43 -1.98 -1.29 114.38 118.12 1a61 h ARG 126 Ca -0.48 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.36 1a61 h ARG 126 Cb 1.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1a61 h ARG 126 CO 0.68 0.22 -1.50 1.05 -1.51 0.00 0.00 179.97 178.91 1a61 h GLU 127 N 0.34 0.30 -1.03 0.20 9.09 -2.04 -1.31 114.58 120.13 1a61 h GLU 127 Ca 0.67 -0.52 0.00 0.00 0.05 0.00 0.00 59.36 59.56 1a61 h GLU 127 Cb 1.44 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.73 1a61 h GLU 127 CO -0.60 1.20 0.00 2.41 0.05 0.00 0.00 179.01 182.07 1a61 n THR 128 N -3.51 0.06 0.00 -1.06 -1.04 -0.49 -0.22 114.28 108.02 1a61 n THR 128 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1a61 n THR 128 Cb 1.05 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.25 1a61 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a61 n ALA 129 N 0.70 0.00 0.22 2.41 0.00 -0.50 -1.36 120.51 121.99 1a61 n ALA 129 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1a61 n ALA 129 Cb 0.04 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.81 1a61 n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1a61 h SER 129 N 0.00 0.00 0.00 0.00 0.02 -0.89 -3.38 113.55 109.30 1a61 h SER 129 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1a61 h SER 129 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1a61 h SER 129 CO 0.00 0.12 -1.84 0.18 -1.14 0.00 0.00 176.83 174.15 1a61 n LEU 129 N -3.17 0.00 -4.32 5.07 4.77 -0.46 -4.75 117.00 114.14 1a61 n LEU 129 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 1a61 n LEU 129 Cb 0.49 0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 1a61 n LEU 129 CO 0.33 0.29 1.83 0.18 -1.33 0.00 0.00 177.39 178.69 1a61 n LEU 130 N -2.43 4.00 -3.97 2.23 4.77 -1.26 -4.85 117.00 115.50 1a61 n LEU 130 Ca -0.19 -3.37 -0.16 0.00 -0.03 0.00 0.00 56.01 52.26 1a61 n LEU 130 Cb 0.87 -1.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.21 1a61 n LEU 130 CO 0.27 -0.85 -0.41 -1.10 -1.33 0.00 0.00 177.39 173.97 1a61 s GLN 131 N 5.40 0.48 0.13 3.23 -0.21 -1.26 -4.97 119.66 122.46 1a61 s GLN 131 Ca 0.61 -0.21 -0.32 0.00 0.02 0.00 0.00 55.36 55.47 1a61 s GLN 131 Cb 0.05 -0.46 -0.11 0.00 1.00 0.00 0.00 33.01 33.48 1a61 s GLN 131 CO 0.10 0.12 1.79 0.00 -2.12 0.00 0.00 175.29 175.19 1a61 n ALA 132 N 2.95 2.15 0.00 6.09 0.00 -1.26 -0.95 120.51 129.49 1a61 n ALA 132 Ca -0.13 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1a61 n ALA 132 Cb 0.58 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1a61 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a61 n GLY 133 N 4.11 2.81 3.77 0.00 0.00 0.30 -4.93 105.19 111.25 1a61 n GLY 133 Ca 0.18 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 1a61 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a61 s TYR 134 N -1.54 3.12 0.20 1.61 1.51 -0.13 -4.62 117.35 117.50 1a61 s TYR 134 Ca 0.00 1.50 -0.14 0.00 -1.01 0.00 0.00 57.07 57.42 1a61 s TYR 134 Cb 0.00 -3.54 -0.07 0.00 -0.11 0.00 0.00 41.96 38.24 1a61 s TYR 134 CO 0.00 -1.52 0.60 0.15 -1.11 0.00 0.00 175.55 173.67 1a61 s LYS 135 N -1.91 3.99 0.08 -0.62 1.02 -1.26 -0.16 119.74 120.87 1a61 s LYS 135 Ca 0.51 0.53 0.01 0.00 0.02 0.00 0.00 55.97 57.04 1a61 s LYS 135 Cb -0.36 -2.81 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1a61 s LYS 135 CO 0.47 0.39 0.03 0.41 -0.92 0.00 0.00 175.35 175.73 1a61 n GLY 136 N 0.46 3.94 2.95 -3.33 0.00 -0.71 -4.84 105.19 103.66 1a61 n GLY 136 Ca -0.03 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 1a61 n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a61 s ARG 137 N -2.29 0.40 0.03 1.61 3.52 0.24 -1.37 118.95 121.08 1a61 s ARG 137 Ca 0.04 -0.16 0.06 0.00 -0.13 0.00 0.00 55.73 55.54 1a61 s ARG 137 Cb 0.00 -0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 32.97 1a61 s ARG 137 CO 0.03 0.09 -0.16 0.08 -0.81 0.00 0.00 175.30 174.53 1a61 s VAL 138 N -0.06 2.90 0.03 7.11 1.01 -0.35 -0.21 120.40 130.83 1a61 s VAL 138 Ca 0.01 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1a61 s VAL 138 Cb -0.02 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1a61 s VAL 138 CO -0.00 0.37 -0.02 0.42 0.00 0.00 0.00 175.10 175.87 1a61 s THR 139 N -0.91 0.15 0.00 3.92 -4.23 -1.22 -2.11 115.64 111.23 1a61 s THR 139 Ca 0.15 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1a61 s THR 139 Cb -0.11 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1a61 s THR 139 CO 0.05 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 1a61 n GLY 140 N 1.03 1.03 1.73 3.99 0.00 -1.20 -4.54 105.19 107.24 1a61 n GLY 140 Ca -0.20 -0.91 0.06 0.00 0.00 0.00 0.00 46.02 44.98 1a61 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a61 n TRP 141 N -0.37 1.84 -1.66 1.61 8.01 -1.26 -2.38 117.44 123.23 1a61 n TRP 141 Ca 0.00 -0.64 -0.29 0.00 -1.31 0.00 0.00 57.50 55.26 1a61 n TRP 141 Cb 0.00 -0.46 0.12 0.00 -2.01 0.00 0.00 31.31 28.96 1a61 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1a61 s GLY 142 N -0.70 1.58 0.69 6.99 0.00 -1.26 -4.44 107.32 110.17 1a61 s GLY 142 Ca 0.49 -0.56 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 1a61 s GLY 142 CO 0.15 -0.03 0.50 0.70 0.00 0.00 0.00 173.10 174.42 1a61 n ASN 143 N -3.61 -1.25 -0.00 1.64 3.02 -0.32 -3.19 115.26 111.55 1a61 n ASN 143 Ca 0.07 0.62 0.09 0.00 -0.03 0.00 0.00 54.58 55.33 1a61 n ASN 143 Cb 0.60 -1.20 -0.12 0.00 -0.61 0.00 0.00 39.78 38.45 1a61 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a61 n LEU 144 N -0.01 0.57 -3.74 3.41 4.77 0.17 0.42 117.00 122.59 1a61 n LEU 144 Ca 0.10 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.63 1a61 n LEU 144 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1a61 n LEU 144 CO 0.51 0.14 0.04 -0.75 -1.33 0.00 0.00 177.39 176.00 1a61 s LYS 145 N -2.95 0.43 0.00 3.23 2.20 -1.26 -4.43 119.74 116.96 1a61 s LYS 145 Ca 0.02 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1a61 s LYS 145 Cb 0.13 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1a61 s LYS 145 CO 0.77 -0.06 0.00 -1.91 -0.36 0.00 0.00 175.35 173.80 1a61 n GLU 146 N 2.96 0.00 0.05 4.03 2.13 -1.26 -4.96 120.64 123.58 1a61 n GLU 146 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1a61 n GLU 146 Cb 0.57 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 31.18 1a61 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a61 n GLY 150 N 0.74 -0.10 3.67 8.31 0.00 -1.26 -4.96 105.19 111.60 1a61 n GLY 150 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1a61 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a61 s GLN 151 N -2.00 2.48 0.82 1.61 -0.21 -1.26 0.44 119.66 121.54 1a61 s GLN 151 Ca 0.00 -0.92 -0.11 0.00 0.02 0.00 0.00 55.36 54.35 1a61 s GLN 151 Cb 0.00 -2.48 0.12 0.00 1.00 0.00 0.00 33.01 31.65 1a61 s GLN 151 CO 0.00 0.52 1.16 -1.25 -2.12 0.00 0.00 175.29 173.60 1a61 s PRO 152 N -2.47 1.60 0.03 2.91 0.04 -1.26 -4.95 135.00 130.90 1a61 s PRO 152 Ca 0.26 -0.25 0.20 0.00 0.04 0.00 0.00 61.00 61.24 1a61 s PRO 152 Cb -0.11 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 1a61 s PRO 152 CO 0.18 -1.73 0.68 -1.13 0.04 0.00 0.00 177.00 175.03 1a61 n SER 153 N -3.30 0.52 -4.35 6.66 3.41 -1.26 -4.71 113.62 110.59 1a61 n SER 153 Ca 0.11 0.22 -0.18 0.00 -0.26 0.00 0.00 58.87 58.76 1a61 n SER 153 Cb 0.60 0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 65.25 1a61 n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a61 s VAL 154 N -3.11 0.90 0.18 -3.33 0.11 -1.26 -0.74 120.40 113.15 1a61 s VAL 154 Ca -0.05 -2.01 -0.32 0.00 -2.93 0.00 0.00 61.98 56.67 1a61 s VAL 154 Cb 0.10 -2.52 -0.11 0.00 -1.53 0.00 0.00 36.38 32.31 1a61 s VAL 154 CO 0.83 -0.16 1.75 -0.22 -3.33 0.00 0.00 175.10 173.97 1a61 s LEU 155 N -3.34 4.38 0.30 2.54 2.96 -0.26 -4.85 118.68 120.41 1a61 s LEU 155 Ca 0.33 2.83 0.04 0.00 -0.22 0.00 0.00 54.13 57.11 1a61 s LEU 155 Cb 0.07 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1a61 s LEU 155 CO 0.11 -0.98 0.45 -1.10 -1.32 0.00 0.00 176.35 173.51 1a61 s GLN 156 N 1.65 3.34 0.01 1.98 -1.52 -1.00 -0.14 119.66 123.98 1a61 s GLN 156 Ca 0.76 -0.72 -0.07 0.00 -1.95 0.00 0.00 55.36 53.38 1a61 s GLN 156 Cb -0.48 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 1a61 s GLN 156 CO 0.33 0.23 0.14 0.08 -0.25 0.00 0.00 175.29 175.83 1a61 s VAL 157 N -2.13 0.09 -0.19 1.09 1.01 0.10 -3.22 120.40 117.15 1a61 s VAL 157 Ca 0.39 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1a61 s VAL 157 Cb -0.09 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.76 1a61 s VAL 157 CO 0.31 -0.43 0.49 0.54 0.00 0.00 0.00 175.10 176.01 1a61 s VAL 158 N -1.74 -0.00 -0.20 2.92 0.11 -0.90 -1.56 120.40 119.03 1a61 s VAL 158 Ca -0.12 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 58.80 1a61 s VAL 158 Cb -0.06 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1a61 s VAL 158 CO -0.00 0.00 0.30 0.20 -3.33 0.00 0.00 175.10 172.27 1a61 s ASN 159 N 0.45 6.36 0.06 3.54 0.01 -1.26 -1.21 114.94 122.89 1a61 s ASN 159 Ca -0.02 0.41 0.03 0.00 -0.71 0.00 0.00 52.86 52.58 1a61 s ASN 159 Cb -0.04 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 1a61 s ASN 159 CO -0.02 0.02 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.74 1a61 s LEU 160 N 0.93 2.31 0.15 0.60 1.43 -0.47 -4.90 118.68 118.73 1a61 s LEU 160 Ca 0.15 -0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 1a61 s LEU 160 Cb -0.14 -0.25 -0.07 0.00 0.03 0.00 0.00 46.19 45.76 1a61 s LEU 160 CO 0.05 -0.21 0.65 -2.16 0.23 0.00 0.00 176.35 174.91 1a61 s PRO 161 N -2.02 4.24 0.37 1.29 0.04 -1.26 -1.73 135.00 135.92 1a61 s PRO 161 Ca -0.04 0.81 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 1a61 s PRO 161 Cb -0.07 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.30 1a61 s PRO 161 CO 0.00 0.52 1.33 0.42 0.04 0.00 0.00 177.00 179.31 1a61 s ILE 162 N -1.31 2.59 -0.05 0.56 1.01 0.77 -1.97 121.20 122.80 1a61 s ILE 162 Ca 0.36 0.57 0.04 0.00 0.00 0.00 0.00 60.65 61.63 1a61 s ILE 162 Cb -0.18 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1a61 s ILE 162 CO 0.21 0.12 -0.17 -0.69 0.00 0.00 0.00 174.94 174.40 1a61 s VAL 163 N -1.18 2.78 0.29 2.92 1.01 -1.14 0.11 120.40 125.19 1a61 s VAL 163 Ca 0.52 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1a61 s VAL 163 Cb -0.40 -2.07 -0.13 0.00 0.00 0.00 0.00 36.38 33.78 1a61 s VAL 163 CO 0.53 0.58 1.21 -0.62 0.00 0.00 0.00 175.10 176.80 1a61 n GLU 164 N 2.47 1.78 -0.34 2.72 4.71 -1.26 -4.57 120.64 126.15 1a61 n GLU 164 Ca -0.17 0.63 0.19 0.00 -0.01 0.00 0.00 57.16 57.79 1a61 n GLU 164 Cb 0.52 -2.14 0.41 0.00 -1.01 0.00 0.00 31.44 29.22 1a61 n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a61 h ARG 165 N 2.75 0.52 -0.29 3.49 3.08 -1.98 0.45 114.38 122.40 1a61 h ARG 165 Ca -0.43 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.49 1a61 h ARG 165 Cb 1.31 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1a61 h ARG 165 CO 0.65 0.35 -0.20 -1.00 -1.07 0.00 0.00 179.97 178.70 1a61 h PRO 166 N 0.54 0.64 -0.61 0.04 0.13 -1.98 0.26 132.00 131.02 1a61 h PRO 166 Ca 0.64 -0.30 -0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1a61 h PRO 166 Cb 1.30 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1a61 h PRO 166 CO -0.45 0.90 0.38 0.28 -0.23 0.00 0.00 178.00 178.87 1a61 h VAL 167 N 0.38 1.17 0.63 1.56 2.07 -1.68 0.30 116.25 120.69 1a61 h VAL 167 Ca 0.06 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1a61 h VAL 167 Cb 0.74 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1a61 h VAL 167 CO 0.05 0.18 -0.36 0.00 0.02 0.00 0.00 177.57 177.46 1a61 h LYS 169 N -0.92 0.49 0.00 0.00 1.57 -0.45 -2.90 116.57 114.36 1a61 h LYS 169 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1a61 h LYS 169 Cb 0.73 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1a61 h LYS 169 CO 0.11 0.32 0.00 -0.25 -0.57 0.00 0.00 179.45 179.06 1a61 n ASP 170 N -4.95 0.00 -0.30 0.86 9.92 0.09 -3.43 116.55 118.73 1a61 n ASP 170 Ca 0.25 -1.88 0.09 0.00 -0.53 0.00 0.00 54.79 52.73 1a61 n ASP 170 Cb 0.72 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.17 1a61 n ASP 170 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1a61 n SER 171 N -0.55 1.54 -3.82 -2.24 3.41 -1.09 -5.03 113.62 105.83 1a61 n SER 171 Ca 0.02 -1.27 -0.10 0.00 -0.26 0.00 0.00 58.87 57.26 1a61 n SER 171 Cb 0.01 0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1a61 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a61 s THR 172 N -2.32 0.00 -0.89 6.66 -1.32 -1.22 -4.93 115.64 111.62 1a61 s THR 172 Ca 0.13 -1.43 0.22 0.00 -1.21 0.00 0.00 61.69 59.40 1a61 s THR 172 Cb 0.15 -2.32 -0.20 0.00 -1.51 0.00 0.00 72.50 68.62 1a61 s THR 172 CO 0.56 0.00 0.94 0.54 -2.21 0.00 0.00 174.62 174.45 1a61 n ARG 173 N -0.42 0.08 -2.40 7.08 1.74 -1.26 -4.90 116.66 116.58 1a61 n ARG 173 Ca -0.01 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 1a61 n ARG 173 Cb 0.62 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 1a61 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a61 s ILE 174 N -3.06 3.37 -0.22 0.55 -1.09 -1.26 -5.00 121.20 114.48 1a61 s ILE 174 Ca 0.07 1.34 -0.29 0.00 -2.23 0.00 0.00 60.65 59.54 1a61 s ILE 174 Cb 0.16 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1a61 s ILE 174 CO 0.84 0.30 1.47 -0.60 -1.23 0.00 0.00 174.94 175.73 1a61 s ARG 175 N -1.33 3.92 0.33 2.79 3.52 -1.26 -5.02 118.95 121.90 1a61 s ARG 175 Ca 0.46 1.57 -0.25 0.00 -0.13 0.00 0.00 55.73 57.39 1a61 s ARG 175 Cb -0.33 -3.95 -0.10 0.00 -1.56 0.00 0.00 34.95 29.01 1a61 s ARG 175 CO 0.42 -1.13 0.93 0.42 -0.81 0.00 0.00 175.30 175.14 1a61 s ILE 176 N 4.62 4.26 0.39 4.11 -1.09 -1.26 -4.89 121.20 127.34 1a61 s ILE 176 Ca 0.65 1.74 0.04 0.00 -2.23 0.00 0.00 60.65 60.84 1a61 s ILE 176 Cb -0.23 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1a61 s ILE 176 CO 0.25 0.09 0.06 0.42 -1.23 0.00 0.00 174.94 174.53 1a61 s THR 177 N -1.68 1.14 -1.08 2.92 -4.23 -1.26 -5.05 115.64 106.40 1a61 s THR 177 Ca 0.51 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.20 1a61 s THR 177 Cb -0.17 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.24 1a61 s THR 177 CO 0.22 0.00 1.57 0.47 -0.54 0.00 0.00 174.62 176.34 1a61 n ASP 178 N -0.98 0.00 -1.18 3.99 8.00 -1.26 -3.07 116.55 122.06 1a61 n ASP 178 Ca -0.06 0.42 0.05 0.00 0.71 0.00 0.00 54.79 55.90 1a61 n ASP 178 Cb 0.66 -0.46 0.22 0.00 -0.02 0.00 0.00 41.12 41.52 1a61 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1a61 n ASN 179 N -1.46 3.38 -3.91 -2.24 3.02 -1.26 -4.88 115.26 107.91 1a61 n ASN 179 Ca 0.05 -2.41 -0.10 0.00 -0.03 0.00 0.00 54.58 52.08 1a61 n ASN 179 Cb 0.20 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 1a61 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a61 s MET 180 N -1.88 0.50 0.02 3.52 -1.94 -1.17 -1.36 119.30 116.98 1a61 s MET 180 Ca 0.30 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 1a61 s MET 180 Cb 0.22 0.20 -0.02 0.00 2.01 0.00 0.00 34.83 37.24 1a61 s MET 180 CO 0.11 -0.12 -0.03 -0.59 -0.01 0.00 0.00 175.02 174.38 1a61 s PHE 181 N -1.83 0.29 0.27 -0.03 -0.12 -1.06 -4.75 117.98 110.76 1a61 s PHE 181 Ca -0.12 -0.41 0.09 0.00 -0.05 0.00 0.00 56.93 56.44 1a61 s PHE 181 Cb -0.06 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1a61 s PHE 181 CO -0.01 -0.13 0.08 0.00 -0.05 0.00 0.00 175.22 175.11 1a61 s ALA 183 N -2.27 -0.72 0.00 0.00 0.00 0.07 -2.87 121.76 115.97 1a61 s ALA 183 Ca 0.33 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1a61 s ALA 183 Cb -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1a61 s ALA 183 CO 0.22 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1a61 n GLY 184 N 2.31 3.29 3.88 0.00 0.00 -0.83 -1.95 105.19 111.88 1a61 n GLY 184 Ca -0.16 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1a61 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a61 s TYR 184 N -2.00 3.57 0.25 1.61 2.02 -1.26 -4.39 117.35 117.15 1a61 s TYR 184 Ca 0.00 1.17 -0.15 0.00 -0.37 0.00 0.00 57.07 57.73 1a61 s TYR 184 Cb 0.00 -2.60 -0.08 0.00 -0.40 0.00 0.00 41.96 38.88 1a61 s TYR 184 CO 0.00 -0.49 0.66 0.15 -1.57 0.00 0.00 175.55 174.30 1a61 s LYS 185 N -4.80 4.02 0.37 -0.62 -0.14 -1.26 -4.74 119.74 112.56 1a61 s LYS 185 Ca 0.53 0.60 0.15 0.00 -1.36 0.00 0.00 55.97 55.90 1a61 s LYS 185 Cb -0.11 -2.67 1.02 0.00 -1.68 0.00 0.00 37.83 34.39 1a61 s LYS 185 CO 0.47 0.30 1.75 -1.00 -0.76 0.00 0.00 175.35 176.11 1a61 h PRO 186 N 2.83 0.46 0.04 -1.68 0.13 -1.94 0.77 132.00 132.61 1a61 h PRO 186 Ca -0.48 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1a61 h PRO 186 Cb 1.18 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1a61 h PRO 186 CO 0.66 0.30 -0.02 0.22 -0.23 0.00 0.00 178.00 178.93 1a61 h ASP 186 N 0.47 -0.05 -0.00 1.44 3.58 -1.97 -1.69 116.42 118.20 1a61 h ASP 186 Ca 0.62 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1a61 h ASP 186 Cb 1.40 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 1a61 h ASP 186 CO -0.37 0.05 0.00 -0.33 -2.88 0.00 0.00 179.24 175.72 1a61 h GLU 186 N -0.14 0.00 -4.06 0.28 5.08 0.18 -3.46 114.58 112.46 1a61 h GLU 186 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1a61 h GLU 186 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1a61 h GLU 186 CO 0.01 0.00 -0.57 0.41 -1.00 0.00 0.00 179.01 177.86 1a61 n GLY 186 N -1.10 0.02 3.64 -3.84 0.00 -0.64 -4.99 105.19 98.29 1a61 n GLY 186 Ca -0.03 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1a61 n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a61 s LYS 186 N -0.69 0.37 0.48 1.61 2.20 -1.26 -5.13 119.74 117.32 1a61 s LYS 186 Ca 0.04 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.20 1a61 s LYS 186 Cb -0.00 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 1a61 s LYS 186 CO 0.08 -0.06 0.01 1.03 -0.36 0.00 0.00 175.35 176.05 1a61 s ARG 187 N 0.74 2.11 0.00 4.03 0.52 -1.26 -4.72 118.95 120.37 1a61 s ARG 187 Ca -0.02 -2.31 0.00 0.00 -0.52 0.00 0.00 55.73 52.88 1a61 s ARG 187 Cb -0.04 -1.50 0.00 0.00 0.52 0.00 0.00 34.95 33.93 1a61 s ARG 187 CO -0.11 -0.29 0.00 0.41 0.02 0.00 0.00 175.30 175.33 1a61 n GLY 188 N -1.16 4.54 3.64 -3.53 0.00 -1.26 -4.91 105.19 102.52 1a61 n GLY 188 Ca -0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 1a61 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a61 s ASP 189 N 0.00 -0.22 0.95 1.61 2.15 -1.20 -4.66 116.67 115.29 1a61 s ASP 189 Ca 0.00 -0.21 -0.16 0.00 0.43 0.00 0.00 52.55 52.61 1a61 s ASP 189 Cb 0.00 0.39 0.19 0.00 -0.30 0.00 0.00 42.92 43.20 1a61 s ASP 189 CO 0.00 -0.69 1.30 0.00 -0.17 0.00 0.00 175.17 175.61 1a61 s ALA 190 N -3.08 2.25 0.06 3.66 0.00 -1.26 -1.46 121.76 121.93 1a61 s ALA 190 Ca 0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1a61 s ALA 190 Cb -0.00 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1a61 s ALA 190 CO -0.03 -2.38 0.11 0.00 0.00 0.00 0.00 175.76 173.46 1a61 s GLU 192 N -2.09 3.92 0.00 0.00 8.01 -1.26 -1.69 118.70 125.60 1a61 s GLU 192 Ca 0.04 2.45 0.00 0.00 0.01 0.00 0.00 54.97 57.47 1a61 s GLU 192 Cb -0.00 -2.82 0.00 0.00 -4.31 0.00 0.00 34.13 27.00 1a61 s GLU 192 CO 0.03 -0.64 0.00 0.41 0.01 0.00 0.00 175.26 175.07 1a61 n GLY 193 N 0.55 2.08 0.22 -1.39 0.00 -1.26 -1.17 105.19 104.21 1a61 n GLY 193 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1a61 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a61 h ASP 194 N 0.00 0.00 -0.86 1.61 3.32 -1.67 -3.38 116.42 115.45 1a61 h ASP 194 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 1a61 h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1a61 h ASP 194 CO 0.00 0.13 -0.47 -1.20 -1.72 0.00 0.00 179.24 175.98 1a61 n SER 195 N -3.18 -1.26 0.00 6.45 7.64 -1.26 -1.09 113.62 120.93 1a61 n SER 195 Ca 0.02 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1a61 n SER 195 Cb 0.48 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1a61 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a61 n GLY 196 N 1.49 2.88 3.76 0.23 0.00 -0.63 -1.07 105.19 111.85 1a61 n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1a61 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a61 s GLY 197 N -1.64 1.61 0.27 -0.02 0.00 -0.25 -3.24 107.32 104.06 1a61 s GLY 197 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 44.72 44.34 1a61 s GLY 197 CO 0.00 0.30 0.79 2.56 0.00 0.00 0.00 173.10 176.75 1a61 s PRO 198 N -5.05 4.29 -0.32 2.90 0.04 -1.26 0.16 135.00 135.75 1a61 s PRO 198 Ca 0.62 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1a61 s PRO 198 Cb -0.16 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.67 1a61 s PRO 198 CO 0.56 0.31 0.05 0.12 0.04 0.00 0.00 177.00 178.08 1a61 s PHE 199 N -1.64 3.30 0.22 0.56 2.19 -0.05 -3.45 117.98 119.11 1a61 s PHE 199 Ca 0.47 -1.81 0.11 0.00 0.33 0.00 0.00 56.93 56.03 1a61 s PHE 199 Cb -0.16 -2.28 -0.05 0.00 -1.31 0.00 0.00 43.02 39.22 1a61 s PHE 199 CO 0.21 -0.80 -0.19 0.14 1.83 0.00 0.00 175.22 176.41 1a61 s VAL 200 N 1.28 2.61 0.16 3.12 -7.23 0.71 -0.40 120.40 120.65 1a61 s VAL 200 Ca -0.03 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1a61 s VAL 200 Cb -0.20 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1a61 s VAL 200 CO -0.00 -0.22 -0.13 -0.04 -0.31 0.00 0.00 175.10 174.40 1a61 s MET 201 N -3.01 1.15 -0.29 4.82 -1.94 -0.59 -0.59 119.30 118.85 1a61 s MET 201 Ca 0.25 -1.46 -0.09 0.00 -1.71 0.00 0.00 55.69 52.69 1a61 s MET 201 Cb -0.07 -0.87 -0.01 0.00 2.01 0.00 0.00 34.83 35.89 1a61 s MET 201 CO 0.13 0.14 0.12 0.21 -0.01 0.00 0.00 175.02 175.60 1a61 s LYS 202 N -3.48 3.45 0.18 2.03 2.20 -1.26 -0.08 119.74 122.79 1a61 s LYS 202 Ca 0.17 -0.63 -0.32 0.00 -0.36 0.00 0.00 55.97 54.83 1a61 s LYS 202 Cb -0.00 -3.47 -0.11 0.00 -1.51 0.00 0.00 37.83 32.74 1a61 s LYS 202 CO 0.03 -0.33 1.71 0.45 -0.36 0.00 0.00 175.35 176.86 1a61 s SER 203 N 1.61 6.42 0.00 1.43 0.15 0.14 -4.92 113.70 118.53 1a61 s SER 203 Ca 0.05 2.80 0.26 0.00 0.70 0.00 0.00 55.95 59.77 1a61 s SER 203 Cb -0.16 -2.59 1.28 0.00 -1.71 0.00 0.00 66.02 62.84 1a61 s SER 203 CO 0.05 -0.95 1.88 -0.81 1.20 0.00 0.00 173.24 174.61 1a61 n PRO 204 N 4.30 0.29 -0.10 5.44 -0.04 -1.26 -2.04 135.00 141.59 1a61 n PRO 204 Ca 0.16 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 1a61 n PRO 204 Cb 0.36 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 1a61 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a61 h PHE 204 N 0.00 0.00 0.00 0.54 0.04 -1.96 -3.41 116.94 112.14 1a61 h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1a61 h PHE 204 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1a61 h PHE 204 CO 0.00 1.43 0.00 0.27 -0.60 0.00 0.00 178.31 179.41 1a61 n ASN 204 N -4.44 1.33 -0.41 2.17 2.04 -1.25 -5.03 115.26 109.66 1a61 n ASN 204 Ca -0.31 -1.37 -0.05 0.00 -0.44 0.00 0.00 54.58 52.41 1a61 n ASN 204 Cb 0.66 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.89 1a61 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1a61 n ASN 205 N -0.19 -4.97 -4.95 0.53 4.13 -0.87 -5.00 115.26 103.95 1a61 n ASN 205 Ca 0.00 0.13 -0.23 0.00 1.68 0.00 0.00 54.58 56.16 1a61 n ASN 205 Cb 0.11 -2.94 0.03 0.00 -1.54 0.00 0.00 39.78 35.44 1a61 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1a61 s ARG 206 N -2.07 2.70 -0.14 3.52 0.52 -1.26 -4.79 118.95 117.44 1a61 s ARG 206 Ca 0.00 -0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 54.64 1a61 s ARG 206 Cb 0.00 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1a61 s ARG 206 CO 0.00 -0.65 0.08 -1.58 0.02 0.00 0.00 175.30 173.16 1a61 s TRP 207 N -2.80 3.35 0.02 -0.53 0.52 -1.26 -0.69 118.94 117.55 1a61 s TRP 207 Ca 0.55 0.27 0.08 0.00 0.02 0.00 0.00 56.10 57.01 1a61 s TRP 207 Cb -0.10 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1a61 s TRP 207 CO 0.40 0.44 -0.23 0.71 0.02 0.00 0.00 176.95 178.30 1a61 s TYR 208 N -0.43 1.99 -0.17 -1.98 2.02 0.89 -2.21 117.35 117.47 1a61 s TYR 208 Ca 0.10 -0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 56.17 1a61 s TYR 208 Cb -0.12 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 1a61 s TYR 208 CO 0.02 0.05 0.79 -1.14 -1.57 0.00 0.00 175.55 173.69 1a61 s GLN 209 N -0.92 4.29 -0.06 -0.62 0.74 0.19 -1.54 119.66 121.75 1a61 s GLN 209 Ca 0.09 0.94 0.19 0.00 0.05 0.00 0.00 55.36 56.62 1a61 s GLN 209 Cb -0.09 -3.57 -0.29 0.00 1.10 0.00 0.00 33.01 30.17 1a61 s GLN 209 CO 0.01 -0.29 0.35 -1.33 -0.55 0.00 0.00 175.29 173.47 1a61 n MET 210 N 5.13 0.69 -3.92 1.67 2.81 0.47 -4.34 117.12 119.63 1a61 n MET 210 Ca 0.03 -0.14 -0.09 0.00 -1.81 0.00 0.00 57.70 55.68 1a61 n MET 210 Cb 0.49 -1.46 -0.07 0.00 -0.71 0.00 0.00 33.22 31.47 1a61 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a61 s GLY 211 N -4.46 0.36 -0.11 3.03 0.00 -0.94 -2.01 107.32 103.18 1a61 s GLY 211 Ca -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.90 1a61 s GLY 211 CO 0.80 -0.78 -0.19 -0.42 0.00 0.00 0.00 173.10 172.51 1a61 s ILE 212 N -3.94 1.75 0.03 0.90 1.01 -0.85 -0.87 121.20 119.23 1a61 s ILE 212 Ca 0.14 -0.80 -0.36 0.00 0.00 0.00 0.00 60.65 59.63 1a61 s ILE 212 Cb 0.03 -1.56 -0.14 0.00 0.01 0.00 0.00 42.46 40.80 1a61 s ILE 212 CO -0.02 0.49 1.60 0.52 0.00 0.00 0.00 174.94 177.53 1a61 n VAL 213 N 4.00 0.16 0.05 2.92 0.31 0.12 -0.84 118.33 125.05 1a61 n VAL 213 Ca -0.20 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1a61 n VAL 213 Cb 0.52 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1a61 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a61 n SER 214 N 4.11 0.84 -3.68 4.52 2.88 -0.46 -1.60 113.62 120.23 1a61 n SER 214 Ca 0.20 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.78 1a61 n SER 214 Cb 0.24 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 1a61 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a61 s TRP 215 N -1.81 -0.27 0.12 0.66 1.48 -0.84 -4.92 118.94 113.35 1a61 s TRP 215 Ca 0.00 -0.07 -0.08 0.00 -1.06 0.00 0.00 56.10 54.89 1a61 s TRP 215 Cb 0.00 0.56 0.03 0.00 -1.16 0.00 0.00 33.47 32.90 1a61 s TRP 215 CO 0.00 -1.01 0.40 0.41 -4.06 0.00 0.00 176.95 172.68 1a61 n GLY 216 N -0.40 1.24 2.73 3.67 0.00 -1.26 -0.70 105.19 110.47 1a61 n GLY 216 Ca -0.10 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1a61 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a61 s GLU 217 N -2.03 0.70 2.14 1.61 2.02 -1.26 -5.02 118.70 116.86 1a61 s GLU 217 Ca 0.08 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1a61 s GLU 217 Cb -0.02 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1a61 s GLU 217 CO 0.04 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.78 1a61 n GLY 219 N 4.89 -1.11 3.58 -1.39 0.00 -1.26 -4.79 105.19 105.11 1a61 n GLY 219 Ca -0.03 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 1a61 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a61 n ASP 221 N 4.69 -4.43 -4.75 0.00 2.03 -1.26 -4.54 116.55 108.30 1a61 n ASP 221 Ca -0.17 0.34 -0.34 0.00 0.52 0.00 0.00 54.79 55.13 1a61 n ASP 221 Cb 0.55 -3.95 0.05 0.00 -0.72 0.00 0.00 41.12 37.05 1a61 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a61 s ARG 221 N -3.74 2.72 0.35 -0.67 1.81 -1.26 -4.92 118.95 113.24 1a61 s ARG 221 Ca 0.00 1.65 -0.25 0.00 -1.72 0.00 0.00 55.73 55.41 1a61 s ARG 221 Cb 0.00 -1.92 -0.10 0.00 -0.45 0.00 0.00 34.95 32.49 1a61 s ARG 221 CO 0.00 -1.36 1.00 -0.51 -0.68 0.00 0.00 175.30 173.75 1a61 s ASP 222 N -2.03 7.09 -0.01 0.23 1.11 -1.26 -3.35 116.67 118.45 1a61 s ASP 222 Ca 0.73 1.94 0.00 0.00 0.18 0.00 0.00 52.55 55.40 1a61 s ASP 222 Cb -0.26 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.14 1a61 s ASP 222 CO 0.38 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.09 1a61 n GLY 223 N 0.48 0.22 3.65 0.21 0.00 -1.26 -4.99 105.19 103.49 1a61 n GLY 223 Ca 0.03 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1a61 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a61 s LYS 224 N -1.17 2.08 0.04 1.61 -0.14 -1.21 -4.79 119.74 116.17 1a61 s LYS 224 Ca 0.00 -1.84 -0.10 0.00 -1.36 0.00 0.00 55.97 52.67 1a61 s LYS 224 Cb 0.00 -1.88 0.01 0.00 -1.68 0.00 0.00 37.83 34.27 1a61 s LYS 224 CO 0.00 0.04 0.21 0.71 -0.76 0.00 0.00 175.35 175.55 1a61 s TYR 225 N -2.58 0.04 0.39 3.18 1.51 -1.26 -4.80 117.35 113.83 1a61 s TYR 225 Ca 0.36 -0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 56.01 1a61 s TYR 225 Cb 0.03 -0.01 -0.08 0.00 -0.11 0.00 0.00 41.96 41.78 1a61 s TYR 225 CO 0.20 -0.45 0.81 0.20 -1.11 0.00 0.00 175.55 175.20 1a61 s GLY 226 N -2.13 2.19 -0.04 0.71 0.00 -0.82 -4.64 107.32 102.59 1a61 s GLY 226 Ca -0.04 0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.77 1a61 s GLY 226 CO -0.04 0.27 -0.20 -1.36 0.00 0.00 0.00 173.10 171.77 1a61 s PHE 227 N -2.21 2.54 0.03 1.90 0.40 0.12 -0.75 117.98 120.01 1a61 s PHE 227 Ca 0.55 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.56 1a61 s PHE 227 Cb -0.10 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 1a61 s PHE 227 CO 0.23 0.03 -0.13 0.71 0.70 0.00 0.00 175.22 176.76 1a61 s TYR 228 N -0.55 1.10 0.30 0.36 1.51 -0.44 -1.35 117.35 118.29 1a61 s TYR 228 Ca 0.08 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 1a61 s TYR 228 Cb -0.11 -0.66 -0.11 0.00 -0.11 0.00 0.00 41.96 40.97 1a61 s TYR 228 CO 0.01 0.01 1.56 0.99 -1.11 0.00 0.00 175.55 177.02 1a61 s THR 229 N -0.79 2.11 -0.40 -0.71 2.01 -0.02 -2.56 115.64 115.27 1a61 s THR 229 Ca 0.01 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 1a61 s THR 229 Cb -0.07 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.40 1a61 s THR 229 CO 0.01 0.02 0.96 -2.28 -0.69 0.00 0.00 174.62 172.64 1a61 s HIS 230 N -0.20 3.01 0.03 4.92 2.46 -0.46 -2.00 115.29 123.05 1a61 s HIS 230 Ca 0.61 0.70 -0.16 0.00 0.47 0.00 0.00 55.06 56.67 1a61 s HIS 230 Cb -0.47 -3.84 -0.32 0.00 -0.13 0.00 0.00 32.58 27.83 1a61 s HIS 230 CO 0.50 -0.95 1.04 0.28 -2.47 0.00 0.00 174.74 173.14 1a61 h VAL 231 N 5.93 1.32 -0.33 0.89 2.07 -1.72 -3.08 116.25 121.33 1a61 h VAL 231 Ca -0.23 -2.53 0.04 0.00 0.82 0.00 0.00 66.70 64.80 1a61 h VAL 231 Cb 1.07 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 1a61 h VAL 231 CO 1.02 0.76 0.12 0.15 0.02 0.00 0.00 177.57 179.63 1a61 h PHE 232 N 0.13 0.22 -0.77 1.57 3.57 -1.87 -2.11 116.94 117.67 1a61 h PHE 232 Ca -0.20 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.49 1a61 h PHE 232 Cb 1.94 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.58 1a61 h PHE 232 CO 0.13 0.10 0.52 0.00 -2.23 0.00 0.00 178.31 176.83 1a61 h ARG 233 N 0.27 0.31 -0.68 1.11 2.47 -1.92 -0.35 114.38 115.59 1a61 h ARG 233 Ca 0.15 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1a61 h ARG 233 Cb 0.11 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1a61 h ARG 233 CO -0.15 0.21 0.00 1.28 0.56 0.00 0.00 179.97 181.87 1a61 n LEU 234 N -4.45 4.08 0.24 3.04 4.77 -0.82 -4.57 117.00 119.29 1a61 n LEU 234 Ca 0.15 -2.05 0.09 0.00 -0.03 0.00 0.00 56.01 54.17 1a61 n LEU 234 Cb 0.61 -0.51 0.60 0.00 -2.33 0.00 0.00 43.42 41.80 1a61 n LEU 234 CO 0.33 0.86 0.93 0.50 -1.33 0.00 0.00 177.39 178.68 1a61 h LYS 235 N 4.00 0.00 -0.10 3.23 3.64 -0.72 -1.68 116.57 124.94 1a61 h LYS 235 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1a61 h LYS 235 Cb 1.13 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1a61 h LYS 235 CO 0.10 0.17 -0.01 0.87 -2.27 0.00 0.00 179.45 178.31 1a61 h LYS 236 N 0.00 0.18 -0.41 1.90 1.79 -1.80 -0.84 116.57 117.38 1a61 h LYS 236 Ca -0.00 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1a61 h LYS 236 Cb 0.34 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1a61 h LYS 236 CO 0.02 0.45 0.14 2.35 -1.08 0.00 0.00 179.45 181.33 1a61 h TRP 237 N -0.11 0.25 -0.24 -1.35 7.01 -1.67 -0.00 115.95 119.83 1a61 h TRP 237 Ca 0.03 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.11 1a61 h TRP 237 Cb 0.38 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.31 1a61 h TRP 237 CO 0.04 0.09 -0.31 0.82 -2.79 0.00 0.00 178.44 176.29 1a61 h ILE 238 N 0.30 0.28 -0.03 2.65 2.04 -0.81 -1.57 117.51 120.39 1a61 h ILE 238 Ca 0.19 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.07 1a61 h ILE 238 Cb 0.18 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1a61 h ILE 238 CO -0.20 0.00 -0.36 -0.61 0.00 0.00 0.00 178.15 176.99 1a61 h GLN 239 N -0.32 -0.41 -0.67 2.37 4.15 -0.94 -2.11 115.11 117.17 1a61 h GLN 239 Ca 0.13 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.70 1a61 h GLN 239 Cb 0.53 0.09 -0.13 0.00 0.21 0.00 0.00 27.48 28.19 1a61 h GLN 239 CO -0.42 -0.27 -0.30 -0.22 -1.93 0.00 0.00 178.83 175.69 1a61 h LYS 240 N -0.42 -0.10 -0.20 1.69 3.64 -0.87 -0.29 116.57 120.02 1a61 h LYS 240 Ca 0.01 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1a61 h LYS 240 Cb 0.47 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1a61 h LYS 240 CO -0.25 -0.07 -0.48 -0.24 -2.27 0.00 0.00 179.45 176.14 1a61 h VAL 241 N -0.10 1.31 0.00 2.00 3.04 -1.03 -2.44 116.25 119.03 1a61 h VAL 241 Ca 0.28 -1.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.27 1a61 h VAL 241 Cb 0.55 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1a61 h VAL 241 CO -0.73 0.53 0.00 -0.38 -1.01 0.00 0.00 177.57 175.97 1a61 n ILE 242 N -3.99 0.79 -0.04 3.17 5.41 -0.22 -1.19 119.36 123.30 1a61 n ILE 242 Ca -0.02 0.16 -0.03 0.00 1.00 0.00 0.00 62.75 63.85 1a61 n ILE 242 Cb 0.56 -1.08 -0.14 0.00 -0.71 0.00 0.00 39.64 38.27 1a61 n ILE 242 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1a61 n ASP 243 N -2.24 0.31 0.02 4.38 5.68 -0.59 -3.41 116.55 120.71 1a61 n ASP 243 Ca 0.03 0.14 -0.16 0.00 -0.50 0.00 0.00 54.79 54.30 1a61 n ASP 243 Cb 0.26 0.87 -0.14 0.00 -1.14 0.00 0.00 41.12 40.97 1a61 n ASP 243 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1a61 h GLN 244 N 0.00 0.18 -0.16 0.11 4.15 -1.46 -3.38 115.11 114.55 1a61 h GLN 244 Ca -0.32 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 58.79 1a61 h GLN 244 Cb 1.82 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.63 1a61 h GLN 244 CO 0.03 0.97 0.00 1.19 -1.93 0.00 0.00 178.83 179.09 1a61 n PHE 245 N -3.34 0.20 0.00 3.99 3.72 -0.33 -5.11 117.46 116.58 1a61 n PHE 245 Ca -0.21 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 1a61 n PHE 245 Cb 1.05 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 1a61 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12