#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h2p s ARG 3 N 0.00 0.36 -0.12 5.55 3.52 0.17 -4.98 118.95 123.44 2h2p s ARG 3 Ca 0.00 0.98 -0.06 0.00 -0.13 0.00 0.00 55.73 56.52 2h2p s ARG 3 Cb 0.00 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 2h2p s ARG 3 CO 0.00 -0.22 0.10 -0.51 -0.81 0.00 0.00 175.30 173.86 2h2p s LEU 4 N 2.25 4.16 -0.29 -0.88 1.43 -1.26 -1.39 118.68 122.70 2h2p s LEU 4 Ca -0.04 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 2h2p s LEU 4 Cb -0.11 -2.01 0.10 0.00 0.03 0.00 0.00 46.19 44.20 2h2p s LEU 4 CO -0.13 0.38 0.13 -0.22 0.23 0.00 0.00 176.35 176.73 2h2p s LEU 5 N -0.84 0.67 0.45 1.79 2.96 -0.81 -3.92 118.68 118.97 2h2p s LEU 5 Ca 0.14 -1.30 -0.22 0.00 -0.22 0.00 0.00 54.13 52.52 2h2p s LEU 5 Cb -0.12 -0.39 -0.08 0.00 0.50 0.00 0.00 46.19 46.10 2h2p s LEU 5 CO 0.03 -0.44 1.07 -1.61 -1.32 0.00 0.00 176.35 174.08 2h2p s GLU 6 N 2.06 3.91 0.00 1.98 8.01 -1.26 -2.73 118.70 130.67 2h2p s GLU 6 Ca 0.09 1.49 0.00 0.00 0.01 0.00 0.00 54.97 56.56 2h2p s GLU 6 Cb -0.16 -2.31 0.00 0.00 -4.31 0.00 0.00 34.13 27.35 2h2p s GLU 6 CO -0.35 -0.36 0.00 -1.13 0.01 0.00 0.00 175.26 173.43 2h2p n SER 7 N -0.56 0.00 0.00 -0.19 3.41 -0.55 -4.80 113.62 110.92 2h2p n SER 7 Ca 0.07 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2h2p n SER 7 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2h2p n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h2p n GLY 8 N 0.00 0.81 3.59 5.00 0.00 -1.26 -3.12 105.19 110.21 2h2p n GLY 8 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2h2p n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2p n GLY 9 N -2.00 -0.93 0.00 -0.02 0.00 -1.26 -4.75 105.19 96.23 2h2p n GLY 9 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2h2p n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2p n GLY 10 N 0.61 -0.39 3.66 -0.02 0.00 0.51 -4.80 105.19 104.77 2h2p n GLY 10 Ca 0.10 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2h2p n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2h2p s LEU 11 N 0.00 4.15 -0.01 0.99 2.96 -1.26 -0.71 118.68 124.80 2h2p s LEU 11 Ca 0.00 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2h2p s LEU 11 Cb 0.00 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 2h2p s LEU 11 CO 0.00 -0.18 -0.12 0.68 -1.32 0.00 0.00 176.35 175.41 2h2p s VAL 12 N 1.63 0.97 0.21 1.68 -7.23 -0.25 -4.99 120.40 112.42 2h2p s VAL 12 Ca 0.24 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 2h2p s VAL 12 Cb -0.15 -0.81 -0.08 0.00 0.56 0.00 0.00 36.38 35.89 2h2p s VAL 12 CO 0.10 0.28 1.18 -1.10 -0.31 0.00 0.00 175.10 175.24 2h2p s GLN 13 N -0.25 4.52 0.21 4.82 -0.21 -1.25 -0.97 119.66 126.52 2h2p s GLN 13 Ca 0.04 1.88 -0.30 0.00 0.02 0.00 0.00 55.36 57.00 2h2p s GLN 13 Cb -0.05 -3.22 -0.16 0.00 1.00 0.00 0.00 33.01 30.58 2h2p s GLN 13 CO -0.00 -0.03 0.82 -2.30 -2.12 0.00 0.00 175.29 171.65 2h2p n PRO 14 N 2.15 0.62 -2.94 2.91 -0.02 -1.26 -2.29 135.00 134.16 2h2p n PRO 14 Ca 0.03 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.61 2h2p n PRO 14 Cb 0.45 -1.45 0.06 0.00 -0.02 0.00 0.00 33.50 32.53 2h2p n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h2p n GLY 15 N 1.71 -0.42 0.00 -1.23 0.00 0.97 -4.88 105.19 101.34 2h2p n GLY 15 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2h2p n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2p n GLY 16 N -1.20 5.47 3.62 -0.02 0.00 -0.97 -4.60 105.19 107.48 2h2p n GLY 16 Ca -0.13 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 2h2p n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h2p s SER 17 N 1.00 -0.52 0.14 1.61 1.04 -1.26 0.21 113.70 115.93 2h2p s SER 17 Ca 0.00 0.94 0.03 0.00 0.48 0.00 0.00 55.95 57.40 2h2p s SER 17 Cb 0.00 0.93 -0.04 0.00 0.10 0.00 0.00 66.02 67.00 2h2p s SER 17 CO 0.00 -0.22 -0.06 -0.22 0.98 0.00 0.00 173.24 173.71 2h2p s LEU 18 N 0.02 2.41 -0.37 2.42 2.96 -0.08 -4.97 118.68 121.07 2h2p s LEU 18 Ca 0.01 -1.06 0.02 0.00 -0.22 0.00 0.00 54.13 52.88 2h2p s LEU 18 Cb -0.04 -0.19 0.11 0.00 0.50 0.00 0.00 46.19 46.56 2h2p s LEU 18 CO -0.03 -0.44 0.12 -0.75 -1.32 0.00 0.00 176.35 173.93 2h2p s LYS 19 N -3.82 1.32 0.22 1.98 2.20 -1.26 -0.91 119.74 119.48 2h2p s LYS 19 Ca 0.18 -1.78 -0.26 0.00 -0.36 0.00 0.00 55.97 53.74 2h2p s LYS 19 Cb 0.04 -2.78 -0.09 0.00 -1.51 0.00 0.00 37.83 33.50 2h2p s LYS 19 CO 0.00 -1.01 0.85 -0.51 -0.36 0.00 0.00 175.35 174.33 2h2p s LEU 20 N 0.85 4.54 0.30 5.43 1.43 0.15 -4.78 118.68 126.61 2h2p s LEU 20 Ca 0.12 1.75 0.10 0.00 -1.03 0.00 0.00 54.13 55.08 2h2p s LEU 20 Cb -0.20 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 2h2p s LEU 20 CO -0.11 0.13 -0.04 -0.44 0.23 0.00 0.00 176.35 176.12 2h2p s SER 21 N -1.29 4.15 -0.41 2.29 0.01 -1.18 -0.50 113.70 116.76 2h2p s SER 21 Ca 0.41 -0.90 0.09 0.00 1.31 0.00 0.00 55.95 56.86 2h2p s SER 21 Cb -0.23 -0.57 0.30 0.00 0.21 0.00 0.00 66.02 65.73 2h2p s SER 21 CO 0.27 -0.10 0.78 0.00 0.41 0.00 0.00 173.24 174.60 2h2p n ALA 23 N 0.80 -0.01 -2.48 0.00 0.00 -1.11 -3.35 120.51 114.37 2h2p n ALA 23 Ca 0.18 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 2h2p n ALA 23 Cb 0.63 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 2h2p n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2p s ALA 24 N 4.90 3.68 -0.19 0.00 0.00 0.42 -1.93 121.76 128.64 2h2p s ALA 24 Ca 1.07 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 2h2p s ALA 24 Cb -1.20 -2.40 0.05 0.00 0.00 0.00 0.00 23.12 19.57 2h2p s ALA 24 CO 0.65 0.49 0.48 -1.54 0.00 0.00 0.00 175.76 175.84 2h2p s SER 25 N -1.32 -0.55 0.00 0.00 1.04 -0.48 -4.76 113.70 107.63 2h2p s SER 25 Ca 0.28 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.71 2h2p s SER 25 Cb -0.16 0.95 0.00 0.00 0.10 0.00 0.00 66.02 66.91 2h2p s SER 25 CO 0.16 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2h2p n GLY 26 N 3.45 1.28 3.76 7.32 0.00 -1.26 0.45 105.19 120.19 2h2p n GLY 26 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2h2p n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2h2p s PHE 27 N -2.00 -0.07 -1.44 1.61 -0.71 -1.26 -3.77 117.98 110.34 2h2p s PHE 27 Ca 0.00 -0.21 -0.12 0.00 -1.04 0.00 0.00 56.93 55.56 2h2p s PHE 27 Cb 0.00 0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 42.40 2h2p s PHE 27 CO 0.00 -0.75 2.57 -3.47 -1.34 0.00 0.00 175.22 172.23 2h2p n ASP 28 N -0.62 6.40 -0.37 1.98 2.03 -1.26 -4.74 116.55 119.96 2h2p n ASP 28 Ca -0.06 -2.63 0.32 0.00 0.52 0.00 0.00 54.79 52.94 2h2p n ASP 28 Cb 0.61 -1.51 0.55 0.00 -0.72 0.00 0.00 41.12 40.05 2h2p n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2h2p n TYR 29 N 4.69 0.64 0.30 -0.67 9.36 -1.26 -0.05 117.16 130.18 2h2p n TYR 29 Ca 0.65 0.65 0.19 0.00 3.32 0.00 0.00 57.90 62.70 2h2p n TYR 29 Cb 0.28 -1.06 0.95 0.00 -0.63 0.00 0.00 39.34 38.88 2h2p n TYR 29 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2h2p h SER 30 N 0.00 0.00 0.15 2.98 4.64 -1.89 -2.56 113.55 116.86 2h2p h SER 30 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 2h2p h SER 30 Cb 2.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.35 2h2p h SER 30 CO -0.42 0.02 -0.25 0.54 -0.87 0.00 0.00 176.83 175.84 2h2p n ARG 31 N -3.19 1.08 -4.38 4.77 5.12 0.93 -4.71 116.66 116.29 2h2p n ARG 31 Ca -0.02 -0.71 -0.34 0.00 -1.93 0.00 0.00 57.85 54.86 2h2p n ARG 31 Cb 0.18 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 29.90 2h2p n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2h2p s TYR 32 N -2.41 3.10 -0.28 -1.55 1.51 -0.97 -4.89 117.35 111.87 2h2p s TYR 32 Ca 0.25 0.13 -0.26 0.00 -1.01 0.00 0.00 57.07 56.18 2h2p s TYR 32 Cb 0.19 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2h2p s TYR 32 CO 0.49 0.45 0.90 -1.58 -1.11 0.00 0.00 175.55 174.70 2h2p s TRP 33 N -0.95 3.25 0.48 2.71 0.52 -1.26 -4.05 118.94 119.64 2h2p s TRP 33 Ca 0.16 1.10 -0.01 0.00 0.02 0.00 0.00 56.10 57.36 2h2p s TRP 33 Cb -0.11 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 28.94 2h2p s TRP 33 CO 0.05 -0.54 0.72 -1.64 0.02 0.00 0.00 176.95 175.56 2h2p s MET 34 N 3.10 3.01 0.35 4.98 -1.94 -1.20 -1.31 119.30 126.28 2h2p s MET 34 Ca 0.38 -0.41 -0.05 0.00 -1.71 0.00 0.00 55.69 53.90 2h2p s MET 34 Cb -0.14 -2.50 0.01 0.00 2.01 0.00 0.00 34.83 34.21 2h2p s MET 34 CO 0.10 -0.38 0.52 0.45 -0.01 0.00 0.00 175.02 175.71 2h2p s SER 35 N -4.25 0.74 0.02 3.03 0.15 -1.11 -2.10 113.70 110.18 2h2p s SER 35 Ca 0.50 -1.41 0.01 0.00 0.70 0.00 0.00 55.95 55.75 2h2p s SER 35 Cb -0.10 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 2h2p s SER 35 CO 0.39 -1.35 -0.04 0.26 1.20 0.00 0.00 173.24 173.70 2h2p s TRP 36 N -2.97 0.35 0.06 3.44 0.52 -0.79 -1.97 118.94 117.58 2h2p s TRP 36 Ca 0.28 -0.33 -0.10 0.00 0.02 0.00 0.00 56.10 55.96 2h2p s TRP 36 Cb -0.01 -0.22 0.01 0.00 -1.15 0.00 0.00 33.47 32.09 2h2p s TRP 36 CO 0.18 -0.09 0.23 0.08 0.02 0.00 0.00 176.95 177.37 2h2p s VAL 37 N -0.89 0.11 0.06 4.03 1.01 -0.86 -2.16 120.40 121.69 2h2p s VAL 37 Ca -0.08 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 2h2p s VAL 37 Cb -0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2h2p s VAL 37 CO -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 175.10 174.58 2h2p s ARG 38 N -3.02 0.65 -0.07 2.72 1.70 -0.48 -0.81 118.95 119.64 2h2p s ARG 38 Ca -0.02 -1.22 -0.03 0.00 -0.47 0.00 0.00 55.73 54.00 2h2p s ARG 38 Cb 0.01 0.22 0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2h2p s ARG 38 CO -0.06 -0.13 0.06 -1.14 -1.08 0.00 0.00 175.30 172.94 2h2p s GLN 39 N -3.93 0.02 -0.25 3.89 0.74 -0.54 -1.45 119.66 118.14 2h2p s GLN 39 Ca 0.08 0.24 -0.10 0.00 0.05 0.00 0.00 55.36 55.64 2h2p s GLN 39 Cb 0.08 -0.87 -0.05 0.00 1.10 0.00 0.00 33.01 33.27 2h2p s GLN 39 CO -0.09 -0.41 0.15 0.00 -0.55 0.00 0.00 175.29 174.39 2h2p s ALA 40 N 2.14 3.48 0.00 1.58 0.00 -1.26 -0.28 121.76 127.42 2h2p s ALA 40 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2h2p s ALA 40 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2h2p s ALA 40 CO -0.05 -0.35 0.00 -2.30 0.00 0.00 0.00 175.76 173.07 2h2p n PRO 41 N 4.62 -0.08 -0.49 0.00 -0.02 -1.26 -1.14 135.00 136.64 2h2p n PRO 41 Ca -0.15 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2h2p n PRO 41 Cb 0.52 -0.13 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 2h2p n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h2p n GLY 42 N 0.80 0.00 3.95 -1.23 0.00 -1.26 -4.92 105.19 102.53 2h2p n GLY 42 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2h2p n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h2p s LYS 43 N -0.97 1.81 1.28 1.61 2.36 -0.29 -5.09 119.74 120.44 2h2p s LYS 43 Ca 0.00 -0.59 -0.21 0.00 -2.55 0.00 0.00 55.97 52.62 2h2p s LYS 43 Cb 0.00 -2.19 0.32 0.00 -1.05 0.00 0.00 37.83 34.91 2h2p s LYS 43 CO 0.00 -1.45 1.08 0.20 1.55 0.00 0.00 175.35 176.74 2h2p s GLY 44 N -4.64 1.56 0.27 5.54 0.00 -1.26 -4.50 107.32 104.30 2h2p s GLY 44 Ca 0.64 -1.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.20 2h2p s GLY 44 CO 0.45 -0.10 0.61 1.08 0.00 0.00 0.00 173.10 175.14 2h2p s LEU 45 N -7.19 4.10 -0.11 0.66 1.43 -1.26 -4.25 118.68 112.05 2h2p s LEU 45 Ca 0.72 0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 2h2p s LEU 45 Cb -0.08 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.42 2h2p s LEU 45 CO 0.56 -0.15 0.23 -0.54 0.23 0.00 0.00 176.35 176.69 2h2p s LYS 46 N -3.05 0.15 0.11 1.70 1.02 -0.53 -4.96 119.74 114.18 2h2p s LYS 46 Ca 0.49 0.62 -0.31 0.00 0.02 0.00 0.00 55.97 56.79 2h2p s LYS 46 Cb -0.11 -0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 37.02 2h2p s LYS 46 CO 0.23 -0.24 1.34 -0.46 -0.92 0.00 0.00 175.35 175.30 2h2p s TRP 47 N 1.91 3.29 -0.19 3.18 -0.00 -1.26 -1.39 118.94 124.48 2h2p s TRP 47 Ca -0.03 1.05 -0.17 0.00 -0.00 0.00 0.00 56.10 56.95 2h2p s TRP 47 Cb -0.11 -3.62 -0.13 0.00 -0.00 0.00 0.00 33.47 29.60 2h2p s TRP 47 CO -0.08 -2.12 0.04 -0.89 -0.00 0.00 0.00 176.95 173.90 2h2p n ILE 48 N 3.82 1.50 0.00 5.86 2.08 -0.92 -4.65 119.36 127.05 2h2p n ILE 48 Ca 0.10 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.45 2h2p n ILE 48 Cb 0.43 -2.15 0.00 0.00 -0.75 0.00 0.00 39.64 37.17 2h2p n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2h2p n GLY 49 N 1.48 -0.97 0.00 7.39 0.00 -1.25 -0.86 105.19 110.99 2h2p n GLY 49 Ca -0.25 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2h2p n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2h2p n GLU 50 N -0.02 0.55 -3.15 1.61 0.28 -0.39 -1.88 120.64 117.64 2h2p n GLU 50 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2h2p n GLU 50 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 2h2p n GLU 50 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2h2p s ILE 51 N -1.63 -0.21 0.55 3.84 2.07 -0.89 -3.89 121.20 121.05 2h2p s ILE 51 Ca 0.00 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.04 2h2p s ILE 51 Cb 0.00 -0.39 -0.08 0.00 0.13 0.00 0.00 42.46 42.13 2h2p s ILE 51 CO 0.00 0.00 0.80 -0.46 -1.91 0.00 0.00 174.94 173.37 2h2p n ASN 52 N 5.18 0.16 -0.06 4.50 6.94 -1.09 -3.26 115.26 127.62 2h2p n ASN 52 Ca 0.06 0.83 0.02 0.00 -0.02 0.00 0.00 54.58 55.46 2h2p n ASN 52 Cb 0.57 -1.29 0.04 0.00 -2.36 0.00 0.00 39.78 36.74 2h2p n ASN 52 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 2h2p n PRO 53 N -0.39 -0.01 -0.27 -0.53 -0.02 -1.26 0.11 135.00 132.63 2h2p n PRO 53 Ca 0.12 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 2h2p n PRO 53 Cb 0.45 -0.40 0.24 0.00 -0.02 0.00 0.00 33.50 33.77 2h2p n PRO 53 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2h2p n VAL 54 N -4.11 0.94 -1.01 -1.45 0.24 -1.26 -4.93 118.33 106.75 2h2p n VAL 54 Ca 0.03 -0.97 -0.00 0.00 -2.04 0.00 0.00 64.34 61.36 2h2p n VAL 54 Cb 0.11 0.55 -0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2h2p n VAL 54 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2h2p n SER 55 N 1.16 -3.50 -1.13 -1.34 7.64 0.12 -4.91 113.62 111.66 2h2p n SER 55 Ca 0.19 0.01 0.02 0.00 1.01 0.00 0.00 58.87 60.09 2h2p n SER 55 Cb 0.53 -1.02 0.16 0.00 -1.01 0.00 0.00 64.21 62.87 2h2p n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2h2p n SER 56 N -0.04 3.02 -3.63 6.43 3.41 -1.26 -4.74 113.62 116.81 2h2p n SER 56 Ca -0.00 -2.42 -0.12 0.00 -0.26 0.00 0.00 58.87 56.07 2h2p n SER 56 Cb 0.09 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.38 2h2p n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2h2p s THR 57 N -1.70 0.00 -0.51 6.66 2.01 -1.26 -5.01 115.64 115.82 2h2p s THR 57 Ca 0.23 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.30 2h2p s THR 57 Cb 0.18 -1.00 0.19 0.00 0.01 0.00 0.00 72.50 71.88 2h2p s THR 57 CO 0.06 0.00 0.70 -0.38 -0.69 0.00 0.00 174.62 174.31 2h2p n ILE 58 N 2.32 -0.10 -2.63 1.82 5.41 -1.26 -2.66 119.36 122.26 2h2p n ILE 58 Ca -0.13 -1.19 -0.32 0.00 1.00 0.00 0.00 62.75 62.10 2h2p n ILE 58 Cb 0.56 0.79 -0.05 0.00 -0.71 0.00 0.00 39.64 40.23 2h2p n ILE 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2h2p s ASN 59 N 0.80 6.70 0.03 4.38 0.01 -1.25 -4.89 114.94 120.72 2h2p s ASN 59 Ca 0.30 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.97 2h2p s ASN 59 Cb 0.00 -2.48 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 2h2p s ASN 59 CO -0.06 -0.47 0.00 -1.22 -1.51 0.00 0.00 177.10 173.84 2h2p n TYR 60 N -1.20 0.04 -3.94 2.20 4.02 -1.26 -1.26 117.16 115.76 2h2p n TYR 60 Ca 0.06 -0.16 -0.23 0.00 -0.01 0.00 0.00 57.90 57.56 2h2p n TYR 60 Cb 0.54 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 2h2p n TYR 60 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2h2p s THR 61 N -1.36 5.28 -0.80 -0.72 -1.32 -0.04 -4.83 115.64 111.84 2h2p s THR 61 Ca 0.01 -0.85 -0.14 0.00 -1.21 0.00 0.00 61.69 59.49 2h2p s THR 61 Cb 0.00 -3.81 -0.23 0.00 -1.51 0.00 0.00 72.50 66.95 2h2p s THR 61 CO 0.00 -0.24 2.05 -2.65 -2.21 0.00 0.00 174.62 171.57 2h2p n PRO 62 N -1.09 0.16 -3.94 7.08 -0.02 -1.26 -4.75 135.00 131.18 2h2p n PRO 62 Ca -0.08 -0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 60.84 2h2p n PRO 62 Cb 0.56 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 2h2p n PRO 62 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2h2p n SER 63 N 10.18 0.46 -4.78 2.55 3.41 -1.26 -5.14 113.62 119.04 2h2p n SER 63 Ca 0.50 -2.81 -0.33 0.00 -0.26 0.00 0.00 58.87 55.96 2h2p n SER 63 Cb 0.30 1.07 0.02 0.00 -0.26 0.00 0.00 64.21 65.34 2h2p n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h2p s LEU 64 N 0.00 3.55 -0.51 1.04 1.43 -1.26 -4.89 118.68 118.03 2h2p s LEU 64 Ca 0.24 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.25 2h2p s LEU 64 Cb 0.01 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.60 2h2p s LEU 64 CO 0.17 -1.31 3.07 1.17 0.23 0.00 0.00 176.35 179.68 2h2p n LYS 65 N -1.90 2.66 0.00 1.70 4.81 -1.26 -3.02 118.16 121.14 2h2p n LYS 65 Ca 0.10 -1.95 0.00 0.00 -0.87 0.00 0.00 58.31 55.59 2h2p n LYS 65 Cb 0.52 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.35 2h2p n LYS 65 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2h2p n ASP 66 N 1.89 0.00 0.08 3.14 2.03 -1.26 -5.00 116.55 117.43 2h2p n ASP 66 Ca 0.52 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.73 2h2p n ASP 66 Cb 0.62 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.95 2h2p n ASP 66 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2h2p h LYS 67 N 0.00 -0.28 -6.17 -0.67 1.63 -1.84 -3.40 116.57 105.85 2h2p h LYS 67 Ca 0.00 0.02 -0.52 0.00 -0.85 0.00 0.00 60.65 59.30 2h2p h LYS 67 Cb 0.00 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 2h2p h LYS 67 CO 0.00 0.08 -0.53 -0.06 -3.45 0.00 0.00 179.45 175.49 2h2p s PHE 68 N -3.37 2.86 -0.34 1.91 2.99 -1.26 -0.95 117.98 119.82 2h2p s PHE 68 Ca -0.11 -0.26 0.05 0.00 0.00 0.00 0.00 56.93 56.61 2h2p s PHE 68 Cb 0.01 -1.53 0.18 0.00 0.00 0.00 0.00 43.02 41.67 2h2p s PHE 68 CO 0.41 0.40 0.52 0.42 -0.00 0.00 0.00 175.22 176.97 2h2p s ILE 69 N -2.30 -0.79 0.29 0.64 1.01 -0.16 -4.95 121.20 114.94 2h2p s ILE 69 Ca 0.36 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 2h2p s ILE 69 Cb -0.06 -0.64 -0.09 0.00 0.01 0.00 0.00 42.46 41.69 2h2p s ILE 69 CO 0.24 -0.17 0.73 -0.63 0.00 0.00 0.00 174.94 175.10 2h2p s ILE 70 N 2.22 4.64 0.37 2.92 1.01 -1.26 -2.11 121.20 128.99 2h2p s ILE 70 Ca 0.13 1.06 -0.16 0.00 0.00 0.00 0.00 60.65 61.68 2h2p s ILE 70 Cb -0.10 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.73 2h2p s ILE 70 CO -0.18 -0.05 0.81 -0.94 0.00 0.00 0.00 174.94 174.59 2h2p s SER 71 N -2.06 -0.00 -0.13 3.58 1.04 -1.12 -5.01 113.70 110.00 2h2p s SER 71 Ca 0.50 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.55 2h2p s SER 71 Cb -0.12 0.82 0.08 0.00 0.10 0.00 0.00 66.02 66.89 2h2p s SER 71 CO 0.19 -1.62 0.73 0.00 0.98 0.00 0.00 173.24 173.51 2h2p s ARG 72 N -2.33 0.94 -0.69 4.02 1.70 -1.26 -1.87 118.95 119.46 2h2p s ARG 72 Ca 0.16 0.47 0.05 0.00 -0.47 0.00 0.00 55.73 55.94 2h2p s ARG 72 Cb -0.05 0.45 0.21 0.00 -0.57 0.00 0.00 34.95 34.99 2h2p s ARG 72 CO 0.11 -0.24 0.64 -3.47 -1.08 0.00 0.00 175.30 171.25 2h2p n ASP 73 N 1.44 3.48 -0.52 -2.89 -0.08 -1.11 -4.96 116.55 111.90 2h2p n ASP 73 Ca -0.17 -3.32 0.43 0.00 -1.51 0.00 0.00 54.79 50.22 2h2p n ASP 73 Cb 0.56 -0.74 0.71 0.00 2.34 0.00 0.00 41.12 43.99 2h2p n ASP 73 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2h2p h ASN 74 N 4.85 0.16 0.14 1.67 2.35 -1.92 1.44 115.58 124.27 2h2p h ASN 74 Ca 0.17 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2h2p h ASN 74 Cb 0.71 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2h2p h ASN 74 CO 0.79 -0.21 0.00 0.00 -1.65 0.00 0.00 177.43 176.36 2h2p n ALA 75 N -2.60 2.17 0.00 -0.83 0.00 -1.26 -2.81 120.51 115.18 2h2p n ALA 75 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2h2p n ALA 75 Cb 1.66 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 19.78 2h2p n ALA 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2h2p n LYS 76 N -1.11 3.99 -3.09 0.00 5.02 0.49 -5.03 118.16 118.43 2h2p n LYS 76 Ca 0.13 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 2h2p n LYS 76 Cb 0.10 -0.72 0.06 0.00 -0.02 0.00 0.00 35.03 34.45 2h2p n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2h2p n ASP 77 N -1.22 -3.31 -3.78 4.39 9.92 -1.01 -4.83 116.55 116.71 2h2p n ASP 77 Ca 0.00 -0.40 -0.14 0.00 -0.53 0.00 0.00 54.79 53.72 2h2p n ASP 77 Cb 0.00 -3.63 -0.16 0.00 -0.64 0.00 0.00 41.12 36.70 2h2p n ASP 77 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2h2p s THR 78 N -3.23 -0.05 0.55 -3.53 -4.23 -1.26 0.16 115.64 104.04 2h2p s THR 78 Ca 0.17 0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.87 2h2p s THR 78 Cb -0.08 -0.10 0.02 0.00 1.34 0.00 0.00 72.50 73.69 2h2p s THR 78 CO 0.50 0.08 0.79 -0.22 -0.54 0.00 0.00 174.62 175.23 2h2p s LEU 79 N 0.97 3.31 -0.01 4.79 2.96 -1.21 -2.76 118.68 126.72 2h2p s LEU 79 Ca -0.08 0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2h2p s LEU 79 Cb -0.11 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.53 2h2p s LEU 79 CO -0.03 -1.08 0.11 -0.31 -1.32 0.00 0.00 176.35 173.72 2h2p s TYR 80 N -2.79 0.01 -0.04 5.38 4.12 -0.78 -1.69 117.35 121.56 2h2p s TYR 80 Ca 0.55 -0.03 -0.00 0.00 0.02 0.00 0.00 57.07 57.61 2h2p s TYR 80 Cb -0.10 -0.04 0.03 0.00 -1.52 0.00 0.00 41.96 40.33 2h2p s TYR 80 CO 0.40 -0.20 0.01 -1.17 0.02 0.00 0.00 175.55 174.61 2h2p s LEU 81 N -0.89 0.91 -0.16 -1.29 2.96 0.35 -2.79 118.68 117.77 2h2p s LEU 81 Ca -0.10 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2h2p s LEU 81 Cb -0.06 -0.22 0.02 0.00 0.50 0.00 0.00 46.19 46.43 2h2p s LEU 81 CO 0.01 -0.14 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.61 2h2p s GLN 82 N 1.34 2.80 -0.10 1.98 -0.21 -0.90 0.31 119.66 124.89 2h2p s GLN 82 Ca -0.05 -0.76 0.02 0.00 0.02 0.00 0.00 55.36 54.59 2h2p s GLN 82 Cb -0.13 -2.38 -0.01 0.00 1.00 0.00 0.00 33.01 31.48 2h2p s GLN 82 CO -0.02 -0.15 -0.17 0.42 -2.12 0.00 0.00 175.29 173.25 2h2p s ILE 83 N 1.16 2.77 0.28 1.08 1.01 -0.09 -0.99 121.20 126.43 2h2p s ILE 83 Ca 0.01 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 59.98 2h2p s ILE 83 Cb -0.14 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 2h2p s ILE 83 CO -0.08 0.55 -0.16 -0.44 0.00 0.00 0.00 174.94 174.81 2h2p s SER 84 N 0.07 3.34 -0.91 3.58 0.01 -0.13 -0.91 113.70 118.76 2h2p s SER 84 Ca -0.07 -1.08 -0.08 0.00 1.31 0.00 0.00 55.95 56.04 2h2p s SER 84 Cb -0.15 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.82 2h2p s SER 84 CO 0.05 -0.08 0.65 0.29 0.41 0.00 0.00 173.24 174.55 2h2p n LYS 85 N -0.60 -1.28 -2.90 12.44 4.76 0.57 -4.77 118.16 126.38 2h2p n LYS 85 Ca -0.06 0.72 -0.40 0.00 -2.87 0.00 0.00 58.31 55.71 2h2p n LYS 85 Cb 0.61 -2.98 -0.05 0.00 -1.84 0.00 0.00 35.03 30.77 2h2p n LYS 85 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2h2p s VAL 86 N -3.12 4.69 0.00 -0.18 1.01 -0.82 -4.70 120.40 117.28 2h2p s VAL 86 Ca 0.12 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2h2p s VAL 86 Cb -0.06 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2h2p s VAL 86 CO 0.88 0.33 0.00 -2.11 0.00 0.00 0.00 175.10 174.21 2h2p n ARG 87 N 2.91 1.87 0.00 2.72 1.85 -1.26 0.32 116.66 125.07 2h2p n ARG 87 Ca -0.01 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 2h2p n ARG 87 Cb 0.50 0.00 0.55 0.00 -1.05 0.00 0.00 32.46 32.46 2h2p n ARG 87 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2h2p n SER 88 N -1.28 0.01 0.20 2.89 7.64 -1.26 -2.61 113.62 119.21 2h2p n SER 88 Ca 0.00 0.50 0.14 0.00 1.01 0.00 0.00 58.87 60.52 2h2p n SER 88 Cb 0.00 -0.50 0.42 0.00 -1.01 0.00 0.00 64.21 63.12 2h2p n SER 88 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2h2p h GLU 89 N 0.00 0.00 -1.00 1.43 3.07 -2.00 -3.18 114.58 112.90 2h2p h GLU 89 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 2h2p h GLU 89 Cb 0.44 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.05 2h2p h GLU 89 CO 0.00 0.00 0.70 -0.25 -1.40 0.00 0.00 179.01 178.06 2h2p n ASP 90 N -2.81 4.65 -4.14 1.42 8.00 -1.07 -4.83 116.55 117.77 2h2p n ASP 90 Ca 0.03 -3.63 -0.38 0.00 0.71 0.00 0.00 54.79 51.52 2h2p n ASP 90 Cb 0.40 -0.87 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 2h2p n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2h2p s THR 91 N -3.61 3.97 0.00 -3.53 2.01 -1.21 -4.72 115.64 108.55 2h2p s THR 91 Ca 0.58 -2.70 0.00 0.00 0.31 0.00 0.00 61.69 59.88 2h2p s THR 91 Cb 0.48 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 69.41 2h2p s THR 91 CO 0.08 -0.87 0.00 0.00 -0.69 0.00 0.00 174.62 173.14 2h2p n ALA 92 N 3.79 0.00 -2.77 7.40 0.00 0.07 -4.47 120.51 124.53 2h2p n ALA 92 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 2h2p n ALA 92 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 2h2p n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2h2p s LEU 93 N 0.00 3.84 -0.38 0.00 2.96 0.61 -0.04 118.68 125.67 2h2p s LEU 93 Ca 0.00 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 2h2p s LEU 93 Cb 0.00 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.69 2h2p s LEU 93 CO 0.00 0.01 0.21 -0.31 -1.32 0.00 0.00 176.35 174.94 2h2p s TYR 94 N 1.40 3.26 0.31 5.38 2.02 0.15 -1.46 117.35 128.41 2h2p s TYR 94 Ca 0.06 -1.14 -0.12 0.00 -0.37 0.00 0.00 57.07 55.51 2h2p s TYR 94 Cb -0.15 -2.55 -0.08 0.00 -0.40 0.00 0.00 41.96 38.78 2h2p s TYR 94 CO 0.06 -0.71 0.68 0.71 -1.57 0.00 0.00 175.55 174.72 2h2p s TYR 95 N 1.51 3.41 -0.10 2.71 2.02 0.01 -1.10 117.35 125.82 2h2p s TYR 95 Ca 0.02 1.05 0.02 0.00 -0.37 0.00 0.00 57.07 57.79 2h2p s TYR 95 Cb -0.20 -2.41 -0.01 0.00 -0.40 0.00 0.00 41.96 38.93 2h2p s TYR 95 CO 0.05 0.11 -0.17 0.00 -1.57 0.00 0.00 175.55 173.97 2h2p n ALA 97 N 3.19 0.41 -3.70 0.00 0.00 -0.83 -0.91 120.51 118.66 2h2p n ALA 97 Ca -0.18 -1.59 -0.20 0.00 0.00 0.00 0.00 53.44 51.47 2h2p n ALA 97 Cb 0.53 1.02 -0.18 0.00 0.00 0.00 0.00 19.45 20.82 2h2p n ALA 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2h2p s ARG 98 N -3.21 0.08 0.34 0.00 3.52 -1.04 -2.75 118.95 115.88 2h2p s ARG 98 Ca 0.12 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.02 2h2p s ARG 98 Cb 0.01 -0.57 -0.03 0.00 -1.56 0.00 0.00 34.95 32.79 2h2p s ARG 98 CO 0.08 -0.30 0.54 -0.51 -0.81 0.00 0.00 175.30 174.30 2h2p s LEU 99 N 1.97 4.03 0.00 -0.88 1.02 -0.43 -0.31 118.68 124.08 2h2p s LEU 99 Ca 0.03 0.43 -0.00 0.00 0.02 0.00 0.00 54.13 54.61 2h2p s LEU 99 Cb -0.12 -3.29 0.00 0.00 0.02 0.00 0.00 46.19 42.80 2h2p s LEU 99 CO -0.03 -0.28 0.01 0.00 0.02 0.00 0.00 176.35 176.07 2h2p n TYR 100 N -1.73 -0.70 -3.86 0.29 9.36 -0.89 -4.49 117.16 115.14 2h2p n TYR 100 Ca -0.05 -0.02 -0.09 0.00 3.32 0.00 0.00 57.90 61.06 2h2p n TYR 100 Cb 0.56 0.01 -0.04 0.00 -0.63 0.00 0.00 39.34 39.24 2h2p n TYR 100 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 2h2p s TYR 101 N -6.75 0.04 0.00 2.98 -0.85 -1.26 -1.17 117.35 110.33 2h2p s TYR 101 Ca 0.00 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 2h2p s TYR 101 Cb -0.00 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.73 2h2p s TYR 101 CO 0.00 -1.01 0.00 0.41 -1.52 0.00 0.00 175.55 173.43 2h2p n GLY 102 N -0.38 0.37 0.18 5.49 0.00 -1.26 -4.76 105.19 104.82 2h2p n GLY 102 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 2h2p n GLY 102 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2h2p h TYR 103 N 0.00 0.00 0.00 1.61 0.05 -2.03 -3.46 116.97 113.14 2h2p h TYR 103 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2h2p h TYR 103 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2h2p h TYR 103 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 2h2p n GLY 104 N 0.23 1.21 3.57 3.88 0.00 -1.26 -5.08 105.19 107.74 2h2p n GLY 104 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2h2p n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h2p s TYR 105 N -0.29 2.67 0.98 1.61 1.51 -1.26 -4.94 117.35 117.64 2h2p s TYR 105 Ca 0.00 0.36 -0.12 0.00 -1.01 0.00 0.00 57.07 56.30 2h2p s TYR 105 Cb 0.00 -4.41 0.13 0.00 -0.11 0.00 0.00 41.96 37.57 2h2p s TYR 105 CO 0.00 -1.50 0.81 0.91 -1.11 0.00 0.00 175.55 174.66 2h2p n TRP 106 N 8.17 -0.34 -3.93 2.71 7.02 -1.26 -4.49 117.44 125.32 2h2p n TRP 106 Ca 0.07 0.25 -0.08 0.00 -1.02 0.00 0.00 57.50 56.72 2h2p n TRP 106 Cb 0.49 -1.86 -0.03 0.00 -2.42 0.00 0.00 31.31 27.49 2h2p n TRP 106 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 2h2p s TYR 107 N -2.50 0.14 -0.52 -5.99 -0.85 -0.32 -4.98 117.35 102.33 2h2p s TYR 107 Ca 0.63 -0.56 -0.19 0.00 -0.52 0.00 0.00 57.07 56.44 2h2p s TYR 107 Cb -0.22 0.45 0.07 0.00 0.38 0.00 0.00 41.96 42.64 2h2p s TYR 107 CO 0.63 -1.15 0.63 -0.06 -1.52 0.00 0.00 175.55 174.08 2h2p s PHE 108 N -3.82 3.04 0.00 -3.49 0.08 -1.26 -2.10 117.98 110.44 2h2p s PHE 108 Ca 0.17 -0.62 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 2h2p s PHE 108 Cb -0.03 -3.61 -0.08 0.00 -0.57 0.00 0.00 43.02 38.73 2h2p s PHE 108 CO 0.09 -1.07 0.87 0.22 -0.10 0.00 0.00 175.22 175.23 2h2p h ASP 109 N 9.02 -0.42 -3.24 1.36 3.58 -0.98 -3.45 116.42 122.30 2h2p h ASP 109 Ca -0.28 0.01 -0.53 0.00 0.42 0.00 0.00 57.03 56.66 2h2p h ASP 109 Cb 1.09 0.11 -0.36 0.00 1.72 0.00 0.00 39.33 41.89 2h2p h ASP 109 CO 0.99 -0.21 -0.81 -0.69 -2.88 0.00 0.00 179.24 175.64 2h2p s VAL 110 N -3.51 1.09 0.11 2.25 1.01 -1.20 -4.98 120.40 115.17 2h2p s VAL 110 Ca -0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 2h2p s VAL 110 Cb 0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2h2p s VAL 110 CO 0.22 0.37 0.27 0.26 0.00 0.00 0.00 175.10 176.22 2h2p s TRP 111 N 1.42 3.50 0.83 5.22 0.52 -1.26 -2.49 118.94 126.68 2h2p s TRP 111 Ca -0.00 0.29 -0.06 0.00 0.02 0.00 0.00 56.10 56.35 2h2p s TRP 111 Cb -0.13 -1.80 0.18 0.00 -1.15 0.00 0.00 33.47 30.56 2h2p s TRP 111 CO -0.05 0.52 1.14 0.41 0.02 0.00 0.00 176.95 178.99 2h2p n GLY 112 N -0.01 -0.09 0.19 0.98 0.00 -0.09 -4.80 105.19 101.37 2h2p n GLY 112 Ca -0.05 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 2h2p n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h2p h ALA 113 N -1.02 0.55 0.00 4.61 0.00 -1.90 -3.43 119.26 118.07 2h2p h ALA 113 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2h2p h ALA 113 Cb 1.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2h2p h ALA 113 CO 0.35 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2h2p n GLY 114 N -1.21 2.77 2.92 0.00 0.00 -1.26 -4.96 105.19 103.45 2h2p n GLY 114 Ca 0.01 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 2h2p n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2h2p s THR 115 N -2.89 0.24 -0.13 2.61 -1.32 -0.26 -4.71 115.64 109.18 2h2p s THR 115 Ca 0.00 -0.14 -0.18 0.00 -1.21 0.00 0.00 61.69 60.16 2h2p s THR 115 Cb 0.00 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2h2p s THR 115 CO 0.00 0.06 0.46 -0.89 -2.21 0.00 0.00 174.62 172.04 2h2p s THR 116 N -0.09 5.19 -0.19 5.08 2.01 -1.26 0.32 115.64 126.70 2h2p s THR 116 Ca 0.01 0.90 -0.01 0.00 0.31 0.00 0.00 61.69 62.91 2h2p s THR 116 Cb -0.01 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.71 2h2p s THR 116 CO -0.00 0.32 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.41 2h2p s VAL 117 N 0.72 2.53 -0.16 3.82 1.01 0.95 -0.36 120.40 128.91 2h2p s VAL 117 Ca 0.25 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2h2p s VAL 117 Cb -0.15 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2h2p s VAL 117 CO 0.09 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 2h2p s THR 118 N 1.35 2.23 -0.27 3.92 2.01 0.11 -0.75 115.64 124.24 2h2p s THR 118 Ca 0.05 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 2h2p s THR 118 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2h2p s THR 118 CO -0.09 0.54 0.33 -0.69 -0.69 0.00 0.00 174.62 174.01 2h2p s VAL 119 N 0.96 5.21 -0.19 3.82 1.01 -1.26 -1.09 120.40 128.85 2h2p s VAL 119 Ca -0.03 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2h2p s VAL 119 Cb -0.15 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.72 2h2p s VAL 119 CO -0.04 0.18 1.13 -0.55 0.00 0.00 0.00 175.10 175.82 2h2p s SER 120 N 1.63 -0.24 0.20 3.32 0.15 -0.14 -4.91 113.70 113.71 2h2p s SER 120 Ca 0.13 0.21 0.26 0.00 0.70 0.00 0.00 55.95 57.25 2h2p s SER 120 Cb -0.16 0.20 0.79 0.00 -1.71 0.00 0.00 66.02 65.15 2h2p s SER 120 CO 0.10 -0.25 1.75 -1.20 1.20 0.00 0.00 173.24 174.83 2h2p n SER 121 N 0.48 0.79 0.84 5.45 7.64 -1.26 -3.95 113.62 123.60 2h2p n SER 121 Ca -0.06 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2h2p n SER 121 Cb 0.58 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2h2p n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h2p n ALA 122 N -1.78 0.00 -3.48 -0.43 0.00 -1.26 -5.03 120.51 108.53 2h2p n ALA 122 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 2h2p n ALA 122 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 2h2p n ALA 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2h2p s LYS 123 N 0.00 0.89 -0.03 0.00 2.20 -1.26 -5.12 119.74 116.42 2h2p s LYS 123 Ca 0.00 0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 55.72 2h2p s LYS 123 Cb 0.00 0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 36.69 2h2p s LYS 123 CO 0.00 -0.22 1.33 0.99 -0.36 0.00 0.00 175.35 177.09 2h2p s THR 124 N -0.67 3.92 -0.14 3.43 2.01 -1.26 -4.65 115.64 118.28 2h2p s THR 124 Ca -0.07 1.27 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 2h2p s THR 124 Cb -0.02 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.72 2h2p s THR 124 CO 0.06 -0.01 0.07 -0.89 -0.69 0.00 0.00 174.62 173.16 2h2p s THR 125 N 2.44 0.01 0.52 -0.82 2.01 -0.45 -4.95 115.64 114.40 2h2p s THR 125 Ca 0.61 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.33 2h2p s THR 125 Cb -0.29 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 2h2p s THR 125 CO 0.24 -0.13 1.31 -2.16 -0.69 0.00 0.00 174.62 173.20 2h2p s PRO 126 N 2.10 3.32 0.50 4.92 0.04 -1.26 -1.01 135.00 143.61 2h2p s PRO 126 Ca 0.03 2.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 2h2p s PRO 126 Cb -0.15 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 2h2p s PRO 126 CO -0.07 -1.01 1.07 -1.25 0.04 0.00 0.00 177.00 175.77 2h2p s PRO 127 N -2.83 3.69 -0.20 0.56 0.04 -1.26 -4.56 135.00 130.44 2h2p s PRO 127 Ca 0.69 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 2h2p s PRO 127 Cb -0.38 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2h2p s PRO 127 CO 0.45 -0.54 0.07 0.45 0.04 0.00 0.00 177.00 177.47 2h2p s SER 128 N -1.90 5.49 -0.36 6.66 0.15 -0.49 -4.95 113.70 118.29 2h2p s SER 128 Ca 0.68 -0.00 -0.11 0.00 0.70 0.00 0.00 55.95 57.22 2h2p s SER 128 Cb -0.19 -1.95 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 2h2p s SER 128 CO 0.22 0.11 0.21 -0.69 1.20 0.00 0.00 173.24 174.29 2h2p s VAL 129 N 0.73 4.74 -0.38 4.45 1.01 -1.26 -1.34 120.40 128.35 2h2p s VAL 129 Ca 0.03 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 2h2p s VAL 129 Cb -0.13 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2h2p s VAL 129 CO 0.02 -0.14 0.20 -0.31 0.00 0.00 0.00 175.10 174.87 2h2p s TYR 130 N 1.60 3.27 0.37 5.22 2.02 0.11 -4.98 117.35 124.96 2h2p s TYR 130 Ca 0.04 -1.19 -0.28 0.00 -0.37 0.00 0.00 57.07 55.26 2h2p s TYR 130 Cb -0.18 -2.53 -0.11 0.00 -0.40 0.00 0.00 41.96 38.74 2h2p s TYR 130 CO 0.07 -0.72 1.48 -1.25 -1.57 0.00 0.00 175.55 173.57 2h2p s PRO 131 N 1.49 4.13 -0.49 -1.71 0.04 -1.26 0.33 135.00 137.53 2h2p s PRO 131 Ca 0.01 2.55 0.03 0.00 0.04 0.00 0.00 61.00 63.64 2h2p s PRO 131 Cb -0.20 -2.98 0.13 0.00 0.04 0.00 0.00 34.50 31.49 2h2p s PRO 131 CO 0.05 -0.52 0.25 -0.51 0.04 0.00 0.00 177.00 176.31 2h2p s LEU 132 N -1.99 3.72 0.16 -3.56 1.43 0.94 -4.80 118.68 114.58 2h2p s LEU 132 Ca 0.53 -2.86 -0.17 0.00 -1.03 0.00 0.00 54.13 50.61 2h2p s LEU 132 Cb -0.46 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 2h2p s LEU 132 CO 0.62 -0.25 0.60 0.00 0.23 0.00 0.00 176.35 177.55 2h2p s ALA 133 N -0.03 3.53 1.13 4.21 0.00 -1.26 -2.44 121.76 126.90 2h2p s ALA 133 Ca 0.17 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 2h2p s ALA 133 Cb -0.25 -2.62 0.24 0.00 0.00 0.00 0.00 23.12 20.49 2h2p s ALA 133 CO -0.00 0.41 0.90 -0.35 0.00 0.00 0.00 175.76 176.72 2h2p n PRO 134 N 0.92 -2.03 -1.85 0.00 -0.04 -1.26 -4.93 135.00 125.80 2h2p n PRO 134 Ca -0.05 -0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 62.53 2h2p n PRO 134 Cb 0.51 -2.14 0.03 0.00 -0.04 0.00 0.00 33.50 31.87 2h2p n PRO 134 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2h2p s GLY 135 N -2.36 1.99 0.00 0.55 0.00 -1.26 -4.66 107.32 101.58 2h2p s GLY 135 Ca 0.67 0.33 0.15 0.00 0.00 0.00 0.00 44.72 45.86 2h2p s GLY 135 CO 0.64 0.65 1.39 1.44 0.00 0.00 0.00 173.10 177.22 2h2p n SER 136 N -2.43 0.00 -1.59 1.64 7.64 -1.26 -0.69 113.62 116.93 2h2p n SER 136 Ca 0.09 -1.07 0.06 0.00 1.01 0.00 0.00 58.87 58.95 2h2p n SER 136 Cb 0.53 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.05 2h2p n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h2p n ALA 137 N -0.80 3.56 -1.53 -0.43 0.00 -1.26 -4.95 120.51 115.10 2h2p n ALA 137 Ca 0.11 -1.50 -0.39 0.00 0.00 0.00 0.00 53.44 51.67 2h2p n ALA 137 Cb 0.05 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 2h2p n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2p n ALA 138 N 0.53 0.68 1.22 0.00 0.00 0.13 -4.81 120.51 118.26 2h2p n ALA 138 Ca 0.22 -0.68 0.14 0.00 0.00 0.00 0.00 53.44 53.12 2h2p n ALA 138 Cb 0.98 -2.89 0.68 0.00 0.00 0.00 0.00 19.45 18.22 2h2p n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2p n ALA 139 N 13.89 2.37 -2.63 0.00 0.00 -1.26 -4.98 120.51 127.91 2h2p n ALA 139 Ca 0.46 -0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.53 2h2p n ALA 139 Cb 0.38 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.39 2h2p n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2p n ALA 140 N -1.36 -1.83 -1.80 0.00 0.00 -1.26 -4.98 120.51 109.28 2h2p n ALA 140 Ca 0.11 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2h2p n ALA 140 Cb 0.26 -1.38 0.20 0.00 0.00 0.00 0.00 19.45 18.53 2h2p n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2p s ALA 141 N -0.93 1.95 0.11 0.00 0.00 -1.26 -4.95 121.76 116.68 2h2p s ALA 141 Ca 0.24 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 2h2p s ALA 141 Cb -0.02 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2h2p s ALA 141 CO 0.54 -2.68 1.32 0.45 0.00 0.00 0.00 175.76 175.39 2h2p n SER 142 N -3.96 -0.73 -4.88 0.00 2.88 -1.26 -4.37 113.62 101.29 2h2p n SER 142 Ca 0.15 1.49 -0.35 0.00 -1.33 0.00 0.00 58.87 58.83 2h2p n SER 142 Cb 0.59 -0.29 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 2h2p n SER 142 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2h2p s MET 143 N -4.81 3.61 -0.24 -1.46 1.00 -1.26 -2.20 119.30 113.95 2h2p s MET 143 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 55.69 55.56 2h2p s MET 143 Cb 0.08 -3.07 0.07 0.00 0.00 0.00 0.00 34.83 31.91 2h2p s MET 143 CO 0.43 0.63 0.02 0.54 0.00 0.00 0.00 175.02 176.64 2h2p s VAL 144 N -1.31 0.99 -0.16 -6.03 0.11 1.03 -4.86 120.40 110.16 2h2p s VAL 144 Ca 0.28 -1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.01 2h2p s VAL 144 Cb -0.13 -1.48 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 2h2p s VAL 144 CO 0.16 -0.30 1.24 -0.89 -3.33 0.00 0.00 175.10 171.99 2h2p s THR 145 N 1.62 4.31 0.00 5.04 2.01 -1.26 -2.65 115.64 124.71 2h2p s THR 145 Ca 0.00 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.59 2h2p s THR 145 Cb -0.18 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2h2p s THR 145 CO -0.11 -0.13 0.00 0.18 -0.69 0.00 0.00 174.62 173.87 2h2p n LEU 146 N 6.46 0.00 0.00 4.42 4.77 -0.86 -4.67 117.00 127.12 2h2p n LEU 146 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2h2p n LEU 146 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2h2p n LEU 146 CO 0.55 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2h2p n GLY 147 N 5.00 3.24 3.02 -0.72 0.00 -1.02 -2.79 105.19 111.92 2h2p n GLY 147 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2h2p n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h2p s LEU 149 N -1.23 3.54 -0.25 0.00 2.96 0.15 -1.40 118.68 122.46 2h2p s LEU 149 Ca -0.08 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2h2p s LEU 149 Cb -0.08 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 2h2p s LEU 149 CO 0.00 0.06 0.04 -0.69 -1.32 0.00 0.00 176.35 174.44 2h2p s VAL 150 N 1.04 3.97 0.01 1.68 1.01 0.13 0.06 120.40 128.30 2h2p s VAL 150 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2h2p s VAL 150 Cb -0.14 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2h2p s VAL 150 CO 0.03 0.33 -0.07 -0.75 0.00 0.00 0.00 175.10 174.64 2h2p s LYS 151 N 1.56 0.54 -0.45 2.72 2.20 -0.45 -0.24 119.74 125.62 2h2p s LYS 151 Ca 0.06 -0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 55.24 2h2p s LYS 151 Cb -0.15 -0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 35.69 2h2p s LYS 151 CO 0.01 0.12 0.42 0.41 -0.36 0.00 0.00 175.35 175.95 2h2p n GLY 152 N 2.42 -0.67 3.06 5.54 0.00 0.02 -1.40 105.19 114.15 2h2p n GLY 152 Ca -0.16 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2h2p n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h2p s TYR 153 N -3.05 0.56 -0.24 1.61 -0.85 -1.06 -4.13 117.35 110.19 2h2p s TYR 153 Ca 0.06 -0.70 -0.16 0.00 -0.52 0.00 0.00 57.07 55.75 2h2p s TYR 153 Cb -0.01 -0.36 0.07 0.00 0.38 0.00 0.00 41.96 42.04 2h2p s TYR 153 CO 0.41 -0.19 0.61 0.12 -1.52 0.00 0.00 175.55 174.99 2h2p s PHE 154 N -2.34 -0.85 0.00 -3.49 5.36 -0.18 -0.98 117.98 115.50 2h2p s PHE 154 Ca -0.04 1.82 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 2h2p s PHE 154 Cb -0.03 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 2h2p s PHE 154 CO -0.03 -0.43 0.00 -0.35 -1.46 0.00 0.00 175.22 172.95 2h2p n PRO 155 N 3.82 1.07 -1.76 10.12 -0.04 -1.26 -1.34 135.00 145.60 2h2p n PRO 155 Ca -0.19 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 2h2p n PRO 155 Cb 0.57 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.07 2h2p n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2h2p s GLU 156 N -1.68 3.08 0.16 0.54 0.41 -1.26 -4.79 118.70 115.15 2h2p s GLU 156 Ca 0.00 1.07 0.01 0.00 -0.41 0.00 0.00 54.97 55.64 2h2p s GLU 156 Cb 0.00 -2.01 0.01 0.00 -1.78 0.00 0.00 34.13 30.36 2h2p s GLU 156 CO 0.00 -1.00 0.09 -0.35 -0.49 0.00 0.00 175.26 173.51 2h2p n PRO 157 N -2.68 1.36 -4.21 0.39 -0.04 -1.26 -4.88 135.00 123.67 2h2p n PRO 157 Ca 0.08 -1.04 -0.13 0.00 -0.04 0.00 0.00 63.50 62.37 2h2p n PRO 157 Cb 0.53 0.16 -0.10 0.00 -0.04 0.00 0.00 33.50 34.05 2h2p n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2h2p s VAL 158 N -1.00 0.98 0.04 0.52 -7.23 -1.26 -4.48 120.40 107.97 2h2p s VAL 158 Ca 0.07 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 2h2p s VAL 158 Cb -0.01 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2h2p s VAL 158 CO 0.04 -0.76 -0.15 0.42 -0.31 0.00 0.00 175.10 174.34 2h2p s THR 159 N -3.29 1.20 -0.03 5.32 -4.23 0.29 -4.96 115.64 109.94 2h2p s THR 159 Ca 0.13 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2h2p s THR 159 Cb 0.03 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.78 2h2p s THR 159 CO -0.01 0.02 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.29 2h2p s VAL 160 N -0.87 0.95 0.22 2.29 1.01 -1.26 -1.12 120.40 121.61 2h2p s VAL 160 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2h2p s VAL 160 Cb -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2h2p s VAL 160 CO 0.01 0.29 0.12 0.42 0.00 0.00 0.00 175.10 175.95 2h2p s THR 161 N 0.24 0.15 -0.09 3.92 -4.23 -1.23 -4.99 115.64 109.41 2h2p s THR 161 Ca -0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 2h2p s THR 161 Cb -0.10 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.22 2h2p s THR 161 CO 0.01 0.00 -0.11 0.26 -0.54 0.00 0.00 174.62 174.24 2h2p s TRP 162 N -4.04 1.57 -1.05 3.99 0.52 -1.25 -1.40 118.94 117.28 2h2p s TRP 162 Ca 0.39 -0.69 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 2h2p s TRP 162 Cb 0.07 -1.20 -0.01 0.00 -1.15 0.00 0.00 33.47 31.18 2h2p s TRP 162 CO 0.13 -0.41 0.88 0.09 0.02 0.00 0.00 176.95 177.66 2h2p n ASN 163 N 4.31 -2.67 -3.96 2.95 3.02 -0.20 -0.96 115.26 117.75 2h2p n ASN 163 Ca -0.18 -0.57 -0.38 0.00 -0.03 0.00 0.00 54.58 53.42 2h2p n ASN 163 Cb 0.51 -4.65 0.01 0.00 -0.61 0.00 0.00 39.78 35.04 2h2p n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2h2p n SER 164 N -2.93 -3.48 0.00 6.41 7.64 -1.26 0.05 113.62 120.05 2h2p n SER 164 Ca -0.23 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2h2p n SER 164 Cb 0.65 -2.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.47 2h2p n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h2p n GLY 165 N -2.01 0.75 0.32 0.23 0.00 -1.09 -4.79 105.19 98.60 2h2p n GLY 165 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.88 2h2p n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2h2p h SER 166 N 0.00 0.67 -2.48 1.61 4.64 -0.10 -3.29 113.55 114.60 2h2p h SER 166 Ca 0.00 -0.04 -0.70 0.00 -0.47 0.00 0.00 61.79 60.58 2h2p h SER 166 Cb 0.00 -0.17 -0.18 0.00 -0.31 0.00 0.00 62.40 61.74 2h2p h SER 166 CO 0.00 0.52 0.84 -0.76 -0.87 0.00 0.00 176.83 176.56 2h2p s LEU 167 N -9.59 5.18 -0.11 5.97 1.02 -0.14 -4.80 118.68 116.21 2h2p s LEU 167 Ca -0.09 -2.22 0.19 0.00 0.02 0.00 0.00 54.13 52.02 2h2p s LEU 167 Cb 0.17 -2.38 -0.26 0.00 0.02 0.00 0.00 46.19 43.73 2h2p s LEU 167 CO 0.76 -0.98 0.30 0.00 0.02 0.00 0.00 176.35 176.45 2h2p n ALA 168 N 6.22 1.95 -2.38 4.21 0.00 -1.24 -4.26 120.51 125.01 2h2p n ALA 168 Ca 0.25 -0.98 -0.31 0.00 0.00 0.00 0.00 53.44 52.40 2h2p n ALA 168 Cb 0.48 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 2h2p n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2p s ALA 169 N -2.86 3.52 -1.25 0.00 0.00 -1.26 -4.36 121.76 115.55 2h2p s ALA 169 Ca -0.08 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 2h2p s ALA 169 Cb 0.09 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.74 2h2p s ALA 169 CO 0.85 0.31 0.88 0.41 0.00 0.00 0.00 175.76 178.21 2h2p n GLY 170 N -0.63 -0.36 3.34 0.00 0.00 -1.26 -4.80 105.19 101.48 2h2p n GLY 170 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2h2p n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h2p s VAL 171 N -3.22 2.13 -0.05 1.61 1.01 -1.26 -1.70 120.40 118.92 2h2p s VAL 171 Ca 0.44 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2h2p s VAL 171 Cb -0.19 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2h2p s VAL 171 CO 0.54 0.34 0.09 -1.00 0.00 0.00 0.00 175.10 175.07 2h2p s HIS 172 N -0.82 -0.06 -0.13 5.22 3.76 -1.24 -5.01 115.29 117.00 2h2p s HIS 172 Ca 0.12 0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2h2p s HIS 172 Cb -0.10 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.37 2h2p s HIS 172 CO 0.02 -0.15 -0.19 0.99 -0.85 0.00 0.00 174.74 174.56 2h2p s THR 173 N 1.41 2.36 0.12 1.30 2.01 -1.26 -0.86 115.64 120.72 2h2p s THR 173 Ca -0.06 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 2h2p s THR 173 Cb -0.12 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 2h2p s THR 173 CO -0.04 0.54 0.48 -0.36 -0.69 0.00 0.00 174.62 174.55 2h2p s PHE 174 N 0.66 3.59 0.86 4.92 0.08 -0.50 -5.01 117.98 122.59 2h2p s PHE 174 Ca -0.10 0.93 -0.14 0.00 0.12 0.00 0.00 56.93 57.74 2h2p s PHE 174 Cb -0.16 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.01 2h2p s PHE 174 CO 0.02 0.46 0.33 -2.30 -0.10 0.00 0.00 175.22 173.63 2h2p n PRO 175 N 0.79 -0.04 -2.48 0.24 -0.02 -1.26 -4.40 135.00 127.84 2h2p n PRO 175 Ca -0.06 0.03 -0.23 0.00 -2.02 0.00 0.00 63.50 61.22 2h2p n PRO 175 Cb 0.52 -1.75 0.05 0.00 -0.02 0.00 0.00 33.50 32.30 2h2p n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h2p s ALA 176 N -2.17 3.57 0.02 3.55 0.00 -1.26 -4.74 121.76 120.73 2h2p s ALA 176 Ca 0.58 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2h2p s ALA 176 Cb -0.26 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 2h2p s ALA 176 CO 0.65 -0.94 -0.05 0.14 0.00 0.00 0.00 175.76 175.56 2h2p s VAL 177 N -2.95 0.36 -0.15 0.00 -7.23 -0.81 -4.94 120.40 104.69 2h2p s VAL 177 Ca 0.58 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.87 2h2p s VAL 177 Cb -0.10 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 2h2p s VAL 177 CO 0.41 -0.23 0.48 -0.22 -0.31 0.00 0.00 175.10 175.23 2h2p s LEU 178 N -0.99 4.23 -0.48 1.32 2.96 -1.26 -1.77 118.68 122.68 2h2p s LEU 178 Ca -0.07 0.75 0.08 0.00 -0.22 0.00 0.00 54.13 54.67 2h2p s LEU 178 Cb -0.07 -2.68 0.36 0.00 0.50 0.00 0.00 46.19 44.30 2h2p s LEU 178 CO -0.00 -0.05 0.90 1.67 -1.32 0.00 0.00 176.35 177.54 2h2p n GLN 179 N 4.04 2.42 -1.77 1.98 -0.06 0.55 -4.94 117.38 119.59 2h2p n GLN 179 Ca -0.06 -4.26 -0.01 0.00 -2.00 0.00 0.00 57.00 50.67 2h2p n GLN 179 Cb 0.51 -2.01 0.00 0.00 -4.06 0.00 0.00 30.24 24.68 2h2p n GLN 179 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2h2p n ALA 180 N -0.10 -1.45 -2.06 1.69 0.00 -1.26 -4.36 120.51 112.97 2h2p n ALA 180 Ca 0.29 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 2h2p n ALA 180 Cb 0.53 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 2h2p n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h2p n ALA 181 N -1.30 -0.31 -3.44 0.00 0.00 -1.26 -5.02 120.51 109.18 2h2p n ALA 181 Ca -0.00 0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 2h2p n ALA 181 Cb 0.51 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 2h2p n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h2p s LEU 182 N -3.15 -0.09 0.17 0.00 1.43 -1.26 -4.82 118.68 110.96 2h2p s LEU 182 Ca 0.00 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 2h2p s LEU 182 Cb 0.00 1.91 -0.04 0.00 0.03 0.00 0.00 46.19 48.09 2h2p s LEU 182 CO 0.00 -0.26 0.10 -0.31 0.23 0.00 0.00 176.35 176.11 2h2p s TYR 183 N 0.00 3.06 -0.12 0.29 1.51 -0.15 -0.33 117.35 121.61 2h2p s TYR 183 Ca -0.02 -0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 55.89 2h2p s TYR 183 Cb -0.04 -1.46 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 2h2p s TYR 183 CO 0.02 0.52 0.30 0.99 -1.11 0.00 0.00 175.55 176.28 2h2p s THR 184 N -1.78 -0.01 0.16 -0.71 2.01 -0.73 -0.80 115.64 113.78 2h2p s THR 184 Ca 0.30 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 2h2p s THR 184 Cb -0.10 -0.44 0.03 0.00 0.01 0.00 0.00 72.50 72.01 2h2p s THR 184 CO 0.22 0.02 0.47 -1.48 -0.69 0.00 0.00 174.62 173.16 2h2p s LEU 185 N 0.56 0.16 0.08 4.42 0.05 0.67 -1.92 118.68 122.71 2h2p s LEU 185 Ca -0.03 -0.38 0.03 0.00 0.05 0.00 0.00 54.13 53.80 2h2p s LEU 185 Cb -0.05 2.04 -0.03 0.00 -2.05 0.00 0.00 46.19 46.10 2h2p s LEU 185 CO -0.03 -0.96 -0.09 -0.94 -0.55 0.00 0.00 176.35 173.78 2h2p s SER 186 N -2.84 1.22 -0.01 1.48 1.04 -1.26 0.18 113.70 113.51 2h2p s SER 186 Ca 0.06 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.78 2h2p s SER 186 Cb 0.00 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 2h2p s SER 186 CO -0.07 -0.27 -0.15 -0.55 0.98 0.00 0.00 173.24 173.18 2h2p s SER 187 N -2.23 1.77 0.37 7.02 0.15 -0.49 -1.41 113.70 118.89 2h2p s SER 187 Ca 0.01 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.43 2h2p s SER 187 Cb -0.04 -0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.08 2h2p s SER 187 CO -0.01 0.18 0.38 -1.54 1.20 0.00 0.00 173.24 173.45 2h2p n SER 188 N 2.76 1.86 0.00 5.45 3.41 -0.04 -0.67 113.62 126.39 2h2p n SER 188 Ca -0.15 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 2h2p n SER 188 Cb 0.55 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2h2p n SER 188 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2h2p n VAL 189 N -1.56 0.00 -2.36 -3.33 3.14 -1.12 -3.68 118.33 109.42 2h2p n VAL 189 Ca 0.04 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.04 2h2p n VAL 189 Cb 0.41 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.17 2h2p n VAL 189 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2h2p s THR 190 N 0.00 3.31 0.24 1.55 2.01 -0.69 -2.04 115.64 120.03 2h2p s THR 190 Ca 0.00 1.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.84 2h2p s THR 190 Cb 0.00 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2h2p s THR 190 CO 0.00 0.05 0.65 0.68 -0.69 0.00 0.00 174.62 175.31 2h2p s VAL 191 N -1.51 0.00 0.22 3.82 -7.23 -1.08 -4.81 120.40 109.81 2h2p s VAL 191 Ca 0.59 -0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 59.80 2h2p s VAL 191 Cb -0.28 -1.78 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 2h2p s VAL 191 CO 0.34 -0.02 0.60 -2.84 -0.31 0.00 0.00 175.10 172.88 2h2p s PRO 192 N -3.89 3.94 0.00 4.82 0.02 -1.26 0.34 135.00 138.96 2h2p s PRO 192 Ca 0.10 0.47 0.19 0.00 0.02 0.00 0.00 61.00 61.78 2h2p s PRO 192 Cb -0.04 -2.72 0.88 0.00 0.02 0.00 0.00 34.50 32.64 2h2p s PRO 192 CO 0.02 0.35 1.59 0.43 -0.33 0.00 0.00 177.00 179.05 2h2p n SER 193 N 0.20 0.00 -0.28 2.53 7.64 -0.93 -1.43 113.62 121.34 2h2p n SER 193 Ca -0.01 0.23 0.10 0.00 1.01 0.00 0.00 58.87 60.20 2h2p n SER 193 Cb 0.52 -0.38 0.48 0.00 -1.01 0.00 0.00 64.21 63.83 2h2p n SER 193 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2h2p n SER 194 N -1.38 0.84 -0.02 6.43 3.41 -1.26 -3.53 113.62 118.11 2h2p n SER 194 Ca 0.07 -1.54 -0.02 0.00 -0.26 0.00 0.00 58.87 57.12 2h2p n SER 194 Cb 0.18 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 2h2p n SER 194 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2h2p n SER 195 N -0.24 3.98 -3.88 4.04 2.88 -0.52 -4.89 113.62 115.00 2h2p n SER 195 Ca 0.16 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 2h2p n SER 195 Cb 0.20 0.63 -0.14 0.00 -0.75 0.00 0.00 64.21 64.15 2h2p n SER 195 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2h2p s TRP 196 N -2.11 0.05 -1.40 0.66 -0.00 -1.17 -0.40 118.94 114.58 2h2p s TRP 196 Ca -0.02 -0.02 0.16 0.00 -0.00 0.00 0.00 56.10 56.22 2h2p s TRP 196 Cb 0.01 -0.03 0.79 0.00 -0.00 0.00 0.00 33.47 34.23 2h2p s TRP 196 CO 0.17 -0.00 1.45 -2.30 -0.00 0.00 0.00 176.95 176.27 2h2p n PRO 197 N 3.03 0.21 -0.34 5.86 -0.02 -1.26 -4.49 135.00 137.99 2h2p n PRO 197 Ca -0.12 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.65 2h2p n PRO 197 Cb 0.60 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.94 2h2p n PRO 197 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2h2p h SER 198 N 0.00 0.71 -1.30 2.55 4.64 -1.85 -3.44 113.55 114.86 2h2p h SER 198 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2h2p h SER 198 Cb 0.16 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2h2p h SER 198 CO 0.00 0.23 0.00 -0.62 -0.87 0.00 0.00 176.83 175.57 2h2p n GLU 199 N -4.74 3.45 -3.93 4.77 -0.58 0.47 -5.09 120.64 115.00 2h2p n GLU 199 Ca 0.23 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.63 2h2p n GLU 199 Cb 0.63 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.36 2h2p n GLU 199 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2h2p s THR 200 N 1.96 3.12 -0.24 2.62 2.01 -1.26 -4.90 115.64 118.95 2h2p s THR 200 Ca 0.00 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 2h2p s THR 200 Cb 0.00 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.00 2h2p s THR 200 CO 0.00 0.29 -0.02 0.54 -0.69 0.00 0.00 174.62 174.74 2h2p s VAL 201 N 1.40 3.42 -0.05 3.82 0.11 -1.26 -4.90 120.40 122.95 2h2p s VAL 201 Ca 0.03 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 2h2p s VAL 201 Cb -0.16 -2.62 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 2h2p s VAL 201 CO -0.04 0.33 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.98 2h2p s THR 202 N 1.46 1.61 -0.14 5.04 2.01 -1.26 0.14 115.64 124.51 2h2p s THR 202 Ca 0.04 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2h2p s THR 202 Cb -0.15 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 2h2p s THR 202 CO -0.02 0.46 -0.12 0.00 -0.69 0.00 0.00 174.62 174.25 2h2p s ASN 204 N 0.41 5.10 0.04 0.00 -0.87 -0.49 -0.04 114.94 119.10 2h2p s ASN 204 Ca -0.09 -2.26 -0.29 0.00 -1.57 0.00 0.00 52.86 48.65 2h2p s ASN 204 Cb -0.16 -1.78 -0.04 0.00 -0.02 0.00 0.00 41.25 39.24 2h2p s ASN 204 CO 0.05 -0.46 0.92 -0.69 -2.57 0.00 0.00 177.10 174.35 2h2p s VAL 205 N 0.80 4.72 -0.09 1.60 1.01 -0.17 -3.56 120.40 124.71 2h2p s VAL 205 Ca 0.11 1.96 0.01 0.00 0.00 0.00 0.00 61.98 64.06 2h2p s VAL 205 Cb -0.22 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.90 2h2p s VAL 205 CO -0.04 0.26 -0.12 0.00 0.00 0.00 0.00 175.10 175.20 2h2p s ALA 206 N 0.45 1.37 -0.35 5.51 0.00 -0.27 -0.93 121.76 127.54 2h2p s ALA 206 Ca 0.47 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2h2p s ALA 206 Cb -0.22 -0.72 0.11 0.00 0.00 0.00 0.00 23.12 22.29 2h2p s ALA 206 CO 0.27 -0.07 0.11 -1.58 0.00 0.00 0.00 175.76 174.49 2h2p s HIS 207 N 1.02 2.70 0.20 0.00 2.46 -1.01 -0.55 115.29 120.11 2h2p s HIS 207 Ca -0.08 -2.45 -0.03 0.00 0.47 0.00 0.00 55.06 52.98 2h2p s HIS 207 Cb -0.15 -2.32 0.13 0.00 -0.13 0.00 0.00 32.58 30.11 2h2p s HIS 207 CO -0.01 -0.89 1.52 -1.00 -2.47 0.00 0.00 174.74 171.89 2h2p h PRO 208 N 7.61 0.55 0.00 2.88 0.13 -1.80 -2.33 132.00 139.04 2h2p h PRO 208 Ca -0.08 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2h2p h PRO 208 Cb 1.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2h2p h PRO 208 CO 0.51 0.94 0.38 0.00 -0.23 0.00 0.00 178.00 179.60 2h2p h ALA 209 N 0.99 1.30 0.00 -0.56 0.00 -1.87 0.43 119.26 119.56 2h2p h ALA 209 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2h2p h ALA 209 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2h2p h ALA 209 CO 0.10 -0.30 -0.26 -1.13 0.00 0.00 0.00 179.25 177.66 2h2p n SER 210 N -2.28 0.67 -4.04 0.00 3.41 -1.21 -4.90 113.62 105.27 2h2p n SER 210 Ca -0.01 -2.07 -0.39 0.00 -0.26 0.00 0.00 58.87 56.15 2h2p n SER 210 Cb 0.40 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2h2p n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2h2p n SER 211 N -0.36 -2.82 -4.12 4.04 7.64 0.15 -4.95 113.62 113.20 2h2p n SER 211 Ca 0.04 -1.12 -0.23 0.00 1.01 0.00 0.00 58.87 58.57 2h2p n SER 211 Cb 0.62 -1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 62.32 2h2p n SER 211 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2h2p s THR 212 N -3.82 1.22 -0.09 0.44 2.01 -0.90 -5.03 115.64 109.48 2h2p s THR 212 Ca 0.36 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2h2p s THR 212 Cb -0.20 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.31 2h2p s THR 212 CO 0.83 0.35 -0.08 -0.54 -0.69 0.00 0.00 174.62 174.49 2h2p s LYS 213 N -0.27 1.43 -0.24 4.92 1.02 -1.26 -2.39 119.74 122.95 2h2p s LYS 213 Ca 0.04 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2h2p s LYS 213 Cb -0.07 -1.39 0.05 0.00 -0.52 0.00 0.00 37.83 35.90 2h2p s LYS 213 CO -0.00 -0.16 -0.10 0.08 -0.92 0.00 0.00 175.35 174.25 2h2p s VAL 214 N 1.31 1.91 -0.33 3.17 1.01 -0.10 -5.01 120.40 122.36 2h2p s VAL 214 Ca -0.03 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.45 2h2p s VAL 214 Cb -0.14 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2h2p s VAL 214 CO -0.03 0.04 0.31 -1.81 0.00 0.00 0.00 175.10 173.61 2h2p s ASP 215 N 1.24 6.14 -0.37 3.32 1.01 -1.26 -1.00 116.67 125.75 2h2p s ASP 215 Ca -0.06 -0.19 -0.06 0.00 0.71 0.00 0.00 52.55 52.96 2h2p s ASP 215 Cb -0.18 -2.17 0.07 0.00 1.01 0.00 0.00 42.92 41.64 2h2p s ASP 215 CO -0.07 -0.26 0.15 -0.75 0.21 0.00 0.00 175.17 174.46 2h2p s LYS 216 N 1.92 2.46 0.28 8.23 2.47 0.94 -4.96 119.74 131.09 2h2p s LYS 216 Ca 0.10 -1.40 -0.29 0.00 -1.56 0.00 0.00 55.97 52.82 2h2p s LYS 216 Cb -0.17 -3.53 -0.10 0.00 -1.46 0.00 0.00 37.83 32.58 2h2p s LYS 216 CO 0.11 -0.82 1.18 0.21 0.16 0.00 0.00 175.35 176.19 2h2p s LYS 217 N 1.33 4.53 -0.65 4.03 2.20 -1.26 -1.96 119.74 127.96 2h2p s LYS 217 Ca 0.01 1.94 -0.15 0.00 -0.36 0.00 0.00 55.97 57.41 2h2p s LYS 217 Cb -0.21 -3.16 0.17 0.00 -1.51 0.00 0.00 37.83 33.11 2h2p s LYS 217 CO 0.01 0.04 0.61 0.42 -0.36 0.00 0.00 175.35 176.06 2h2p s ILE 218 N -0.97 5.36 0.50 5.43 -1.09 0.12 -4.96 121.20 125.59 2h2p s ILE 218 Ca 0.47 -1.90 -0.01 0.00 -2.23 0.00 0.00 60.65 56.99 2h2p s ILE 218 Cb -0.34 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.16 2h2p s ILE 218 CO 0.44 -0.93 0.74 0.68 -1.23 0.00 0.00 174.94 174.63 2h2p s VAL 219 N 1.02 3.75 1.04 2.92 -7.23 -1.26 -4.60 120.40 116.03 2h2p s VAL 219 Ca 0.09 -0.40 -0.16 0.00 -1.81 0.00 0.00 61.98 59.70 2h2p s VAL 219 Cb -0.22 -3.41 0.22 0.00 0.56 0.00 0.00 36.38 33.52 2h2p s VAL 219 CO -0.02 -0.32 1.18 -2.84 -0.31 0.00 0.00 175.10 172.79 2h2p s PRO 220 N -4.69 0.05 0.63 4.82 0.02 -1.26 -4.67 135.00 129.90 2h2p s PRO 220 Ca 0.51 -0.04 -0.11 0.00 0.02 0.00 0.00 61.00 61.38 2h2p s PRO 220 Cb -0.10 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 2h2p s PRO 220 CO 0.40 -2.87 1.03 1.03 -0.33 0.00 0.00 177.00 176.26 2h2p s ARG 221 N -5.49 3.48 0.00 5.54 0.52 -1.26 -5.06 118.95 116.69 2h2p s ARG 221 Ca 0.69 0.68 0.28 0.00 -0.52 0.00 0.00 55.73 56.86 2h2p s ARG 221 Cb -0.10 -2.09 1.65 0.00 0.52 0.00 0.00 34.95 34.94 2h2p s ARG 221 CO 0.54 -0.62 2.00 0.00 0.02 0.00 0.00 175.30 177.24