#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uma s VAL 17 N 0.00 5.22 -0.84 1.39 1.01 0.19 -4.09 120.40 123.28 1uma s VAL 17 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1uma s VAL 17 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1uma s VAL 17 CO 0.00 0.32 0.34 -0.62 0.00 0.00 0.00 175.10 175.15 1uma n GLU 18 N 4.52 -2.73 0.00 2.72 -0.58 -1.26 -1.50 120.64 121.82 1uma n GLU 18 Ca -0.15 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1uma n GLU 18 Cb 0.52 -4.49 0.00 0.00 -0.57 0.00 0.00 31.44 26.90 1uma n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uma n GLY 19 N -1.17 2.94 3.25 0.62 0.00 -1.26 -4.68 105.19 104.88 1uma n GLY 19 Ca -0.06 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1uma n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uma s SER 20 N -0.56 0.41 0.24 1.61 1.04 -0.14 -4.86 113.70 111.44 1uma s SER 20 Ca 0.00 -1.42 -0.30 0.00 0.48 0.00 0.00 55.95 54.71 1uma s SER 20 Cb 0.00 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 1uma s SER 20 CO 0.00 -0.91 1.30 -1.81 0.98 0.00 0.00 173.24 172.80 1uma s ASP 21 N -3.19 6.88 0.80 7.02 1.11 -1.26 0.16 116.67 128.19 1uma s ASP 21 Ca 0.38 2.49 -0.11 0.00 0.18 0.00 0.00 52.55 55.48 1uma s ASP 21 Cb 0.05 -2.62 0.07 0.00 1.07 0.00 0.00 42.92 41.49 1uma s ASP 21 CO 0.15 -0.51 1.10 0.00 1.18 0.00 0.00 175.17 177.08 1uma s ALA 22 N -0.34 2.23 0.45 5.23 0.00 0.39 -4.75 121.76 124.98 1uma s ALA 22 Ca 0.54 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 1uma s ALA 22 Cb -0.37 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1uma s ALA 22 CO 0.43 -1.74 0.73 -1.21 0.00 0.00 0.00 175.76 173.96 1uma s GLU 23 N -5.15 3.48 0.36 0.00 2.02 -1.26 -4.91 118.70 113.24 1uma s GLU 23 Ca 0.61 0.03 -0.28 0.00 0.02 0.00 0.00 54.97 55.35 1uma s GLU 23 Cb -0.14 -2.45 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 1uma s GLU 23 CO 0.54 -0.14 1.36 0.42 0.02 0.00 0.00 175.26 177.46 1uma s ILE 24 N -2.64 2.50 -1.10 -1.63 -1.09 -1.26 -1.81 121.20 114.18 1uma s ILE 24 Ca 0.46 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1uma s ILE 24 Cb -0.10 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1uma s ILE 24 CO 0.42 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 1uma n GLY 25 N 0.68 1.06 0.17 6.18 0.00 -1.26 -4.90 105.19 107.11 1uma n GLY 25 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1uma n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1uma h MET 26 N 0.07 0.00 -2.02 1.61 -1.53 -1.73 -3.35 114.93 107.98 1uma h MET 26 Ca -0.21 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.50 1uma h MET 26 Cb 1.00 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.66 1uma h MET 26 CO 0.31 0.46 -1.07 0.43 0.14 0.00 0.00 176.91 177.18 1uma n SER 27 N -3.59 0.69 0.00 1.39 7.64 -1.26 -4.95 113.62 113.54 1uma n SER 27 Ca -0.00 -2.83 0.04 0.00 1.01 0.00 0.00 58.87 57.08 1uma n SER 27 Cb 0.55 -0.64 0.19 0.00 -1.01 0.00 0.00 64.21 63.31 1uma n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1uma n PRO 28 N 1.14 0.14 0.00 1.43 -0.04 -1.26 -0.59 135.00 135.83 1uma n PRO 28 Ca 0.23 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1uma n PRO 28 Cb 0.54 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1uma n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1uma n TRP 29 N -1.20 0.00 -1.99 0.54 2.14 -1.05 -1.73 117.44 114.15 1uma n TRP 29 Ca 0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 1uma n TRP 29 Cb 0.05 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.51 1uma n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1uma s GLN 30 N -2.20 4.23 0.09 -2.67 2.00 0.25 -1.41 119.66 119.94 1uma s GLN 30 Ca 0.25 2.28 0.09 0.00 -2.00 0.00 0.00 55.36 55.98 1uma s GLN 30 Cb 0.19 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 1uma s GLN 30 CO 0.41 -0.63 -0.21 0.08 -0.50 0.00 0.00 175.29 174.45 1uma s VAL 31 N 1.82 2.65 -0.22 1.34 1.01 0.01 -4.17 120.40 122.85 1uma s VAL 31 Ca 0.70 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1uma s VAL 31 Cb -0.40 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1uma s VAL 31 CO 0.31 0.19 -0.02 -0.32 0.00 0.00 0.00 175.10 175.27 1uma s MET 32 N -1.84 3.48 -0.35 2.72 1.75 0.73 -2.02 119.30 123.78 1uma s MET 32 Ca 0.16 -0.58 -0.24 0.00 -1.25 0.00 0.00 55.69 53.78 1uma s MET 32 Cb -0.10 -3.06 0.01 0.00 2.84 0.00 0.00 34.83 34.51 1uma s MET 32 CO 0.07 -0.13 0.82 -0.51 -0.65 0.00 0.00 175.02 174.62 1uma s LEU 33 N 1.33 4.09 -0.10 4.11 1.43 -0.31 -1.20 118.68 128.02 1uma s LEU 33 Ca 0.04 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1uma s LEU 33 Cb -0.14 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1uma s LEU 33 CO -0.00 -0.73 -0.24 0.12 0.23 0.00 0.00 176.35 175.73 1uma s PHE 34 N 3.15 2.56 -0.15 0.29 5.36 0.19 -0.82 117.98 128.56 1uma s PHE 34 Ca 0.33 -1.05 -0.29 0.00 -0.96 0.00 0.00 56.93 54.96 1uma s PHE 34 Cb -0.13 -1.71 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 1uma s PHE 34 CO 0.16 -0.42 1.08 0.50 -1.46 0.00 0.00 175.22 175.08 1uma s ARG 35 N 0.35 4.33 0.05 10.12 3.52 0.46 -0.58 118.95 137.20 1uma s ARG 35 Ca -0.19 1.46 -0.24 0.00 -0.13 0.00 0.00 55.73 56.63 1uma s ARG 35 Cb -0.18 -3.61 -0.17 0.00 -1.56 0.00 0.00 34.95 29.44 1uma s ARG 35 CO 0.09 -0.49 1.57 0.87 -0.81 0.00 0.00 175.30 176.53 1uma h LYS 36 N 7.41 -0.06 -2.11 5.12 1.57 -1.83 -2.12 116.57 124.55 1uma h LYS 36 Ca -0.27 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1uma h LYS 36 Cb 1.11 0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.21 1uma h LYS 36 CO 0.92 0.11 -0.21 0.45 -0.57 0.00 0.00 179.45 180.14 1uma s SER 36 N -5.29 -0.87 0.92 0.86 0.15 -1.26 -3.35 113.70 104.85 1uma s SER 36 Ca -0.14 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 57.75 1uma s SER 36 Cb 0.04 1.99 0.12 0.00 -1.71 0.00 0.00 66.02 66.47 1uma s SER 36 CO 0.66 -0.23 1.00 -0.81 1.20 0.00 0.00 173.24 175.06 1uma n PRO 37 N 5.43 -0.38 -2.67 5.44 -0.04 -1.26 -5.05 135.00 136.47 1uma n PRO 37 Ca -0.10 -0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 1uma n PRO 37 Cb 0.49 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 1uma n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1uma s GLN 38 N -4.38 3.83 0.09 0.54 -0.21 -1.21 -4.62 119.66 113.71 1uma s GLN 38 Ca 0.65 0.69 -0.19 0.00 0.02 0.00 0.00 55.36 56.53 1uma s GLN 38 Cb -0.23 -3.84 0.05 0.00 1.00 0.00 0.00 33.01 29.99 1uma s GLN 38 CO 0.59 -1.14 0.47 -1.83 -2.12 0.00 0.00 175.29 171.27 1uma s GLU 39 N 3.97 1.07 -0.14 2.91 -1.05 -0.80 -4.94 118.70 119.73 1uma s GLU 39 Ca 0.44 -0.47 -0.29 0.00 -0.15 0.00 0.00 54.97 54.50 1uma s GLU 39 Cb -0.10 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1uma s GLU 39 CO 0.24 -0.41 1.13 -1.17 0.95 0.00 0.00 175.26 176.00 1uma s LEU 40 N -2.42 4.20 -0.19 1.83 2.96 -1.26 0.18 118.68 123.97 1uma s LEU 40 Ca -0.01 1.61 -0.15 0.00 -0.22 0.00 0.00 54.13 55.36 1uma s LEU 40 Cb 0.00 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.94 1uma s LEU 40 CO -0.08 -0.63 0.19 0.18 -1.32 0.00 0.00 176.35 174.70 1uma n LEU 41 N 5.83 2.17 -3.93 -0.68 4.32 0.00 -4.90 117.00 119.80 1uma n LEU 41 Ca 0.12 0.32 0.03 0.00 -0.02 0.00 0.00 56.01 56.46 1uma n LEU 41 Cb 0.46 -1.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.27 1uma n LEU 41 CO 0.54 0.52 1.11 0.00 -1.22 0.00 0.00 177.39 178.33 1uma s GLY 43 N -3.70 1.77 0.13 0.00 0.00 0.12 -1.17 107.32 104.48 1uma s GLY 43 Ca 0.27 -1.79 -0.24 0.00 0.00 0.00 0.00 44.72 42.97 1uma s GLY 43 CO -0.01 -1.29 1.09 0.00 0.00 0.00 0.00 173.10 172.88 1uma s ALA 44 N -2.95 -1.79 -0.02 3.20 0.00 -0.86 -3.61 121.76 115.74 1uma s ALA 44 Ca 0.64 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1uma s ALA 44 Cb -0.06 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1uma s ALA 44 CO 0.42 -1.07 0.09 -1.54 0.00 0.00 0.00 175.76 173.66 1uma s SER 45 N -3.37 -0.02 -0.31 0.00 1.04 0.26 -0.81 113.70 110.50 1uma s SER 45 Ca 0.21 -0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.42 1uma s SER 45 Cb -0.01 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1uma s SER 45 CO 0.03 -0.17 0.61 -0.22 0.98 0.00 0.00 173.24 174.47 1uma s LEU 46 N -0.59 4.16 -0.00 2.42 0.20 -0.50 0.31 118.68 124.67 1uma s LEU 46 Ca -0.07 0.38 0.16 0.00 0.69 0.00 0.00 54.13 55.29 1uma s LEU 46 Cb -0.04 -2.77 -0.19 0.00 -0.43 0.00 0.00 46.19 42.75 1uma s LEU 46 CO 0.00 -0.47 0.63 2.30 -0.29 0.00 0.00 176.35 178.52 1uma n ILE 47 N 5.39 0.00 -3.60 6.68 -5.35 -0.48 -1.38 119.36 120.62 1uma n ILE 47 Ca -0.02 -0.17 -0.02 0.00 -0.27 0.00 0.00 62.75 62.28 1uma n ILE 47 Cb 0.49 0.82 0.01 0.00 -1.74 0.00 0.00 39.64 39.22 1uma n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1uma n SER 48 N -1.52 -0.82 0.14 7.28 3.41 -1.23 -4.66 113.62 116.23 1uma n SER 48 Ca 0.02 -1.45 0.12 0.00 -0.26 0.00 0.00 58.87 57.30 1uma n SER 48 Cb 0.29 1.34 0.51 0.00 -0.26 0.00 0.00 64.21 66.08 1uma n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1uma n ASP 49 N -0.95 0.71 0.00 4.04 5.75 -1.26 -3.45 116.55 121.39 1uma n ASP 49 Ca -0.01 0.68 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 1uma n ASP 49 Cb 0.26 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1uma n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1uma n ARG 50 N -2.29 -0.51 -4.77 0.11 5.12 -1.26 -0.59 116.66 112.47 1uma n ARG 50 Ca 0.02 -0.45 -0.25 0.00 -1.93 0.00 0.00 57.85 55.24 1uma n ARG 50 Cb 0.23 -0.88 -0.16 0.00 -1.16 0.00 0.00 32.46 30.49 1uma n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1uma s TRP 51 N -0.06 1.61 0.03 -1.55 0.52 -1.22 0.25 118.94 118.52 1uma s TRP 51 Ca 0.00 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 55.74 1uma s TRP 51 Cb 0.00 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 1uma s TRP 51 CO 0.00 -0.16 -0.25 0.08 0.02 0.00 0.00 176.95 176.63 1uma s VAL 52 N 0.08 2.05 -0.08 4.03 1.01 0.70 -1.38 120.40 126.80 1uma s VAL 52 Ca -0.04 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.68 1uma s VAL 52 Cb -0.11 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1uma s VAL 52 CO 0.02 0.41 -0.13 -0.22 0.00 0.00 0.00 175.10 175.18 1uma s LEU 53 N -1.04 2.78 0.00 3.92 2.96 0.15 -0.87 118.68 126.58 1uma s LEU 53 Ca 0.11 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1uma s LEU 53 Cb -0.10 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.01 1uma s LEU 53 CO 0.01 0.28 0.38 1.07 -1.32 0.00 0.00 176.35 176.77 1uma n THR 54 N 2.77 0.00 -3.29 3.68 5.66 0.19 -0.57 114.28 122.72 1uma n THR 54 Ca -0.18 -1.03 -0.38 0.00 -3.05 0.00 0.00 64.05 59.41 1uma n THR 54 Cb 0.52 0.71 -0.06 0.00 -1.55 0.00 0.00 70.33 69.95 1uma n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uma s ALA 55 N -2.19 3.51 0.33 1.79 0.00 -1.26 -0.59 121.76 123.35 1uma s ALA 55 Ca 0.17 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.13 1uma s ALA 55 Cb -0.01 -2.65 0.85 0.00 0.00 0.00 0.00 23.12 21.30 1uma s ALA 55 CO 0.12 0.15 1.77 0.00 0.00 0.00 0.00 175.76 177.80 1uma h ALA 56 N 5.92 1.82 0.00 0.00 0.00 -1.64 -1.38 119.26 123.98 1uma h ALA 56 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1uma h ALA 56 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1uma h ALA 56 CO 0.71 -0.21 0.00 1.12 0.00 0.00 0.00 179.25 180.87 1uma h HIS 57 N 0.65 0.00 0.00 0.00 2.07 -1.89 0.63 115.15 116.61 1uma h HIS 57 Ca 0.58 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 58.05 1uma h HIS 57 Cb 1.06 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.04 1uma h HIS 57 CO -0.00 0.00 -0.26 0.00 -3.07 0.00 0.00 177.93 174.60 1uma n LEU 59 N -3.62 2.26 -3.80 0.00 4.77 0.03 -4.85 117.00 111.80 1uma n LEU 59 Ca -0.01 -0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 55.67 1uma n LEU 59 Cb 0.39 -0.46 -0.17 0.00 -2.33 0.00 0.00 43.42 40.85 1uma n LEU 59 CO 0.34 0.74 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.54 1uma s LEU 60 N -5.97 0.79 0.01 2.23 2.96 -0.16 0.10 118.68 118.64 1uma s LEU 60 Ca -0.23 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.32 1uma s LEU 60 Cb 0.07 -0.40 0.08 0.00 0.50 0.00 0.00 46.19 46.43 1uma s LEU 60 CO 0.53 -0.16 0.69 -0.47 -1.32 0.00 0.00 176.35 175.62 1uma s TYR 60 N 1.66 -0.58 0.00 5.38 5.04 0.14 -4.01 117.35 124.97 1uma s TYR 60 Ca 0.00 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1uma s TYR 60 Cb -0.13 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.65 1uma s TYR 60 CO -0.04 -0.67 0.00 -2.30 -1.34 0.00 0.00 175.55 171.21 1uma n PRO 60 N 0.42 0.00 -0.08 4.97 -0.02 -1.26 -1.47 135.00 137.55 1uma n PRO 60 Ca -0.17 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.37 1uma n PRO 60 Cb 0.60 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.17 1uma n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1uma n TRP 60 N 0.00 0.00 -2.45 6.00 7.02 -1.26 -4.96 117.44 121.79 1uma n TRP 60 Ca 0.00 -0.77 -0.20 0.00 -1.02 0.00 0.00 57.50 55.52 1uma n TRP 60 Cb 0.00 -0.11 -0.00 0.00 -2.42 0.00 0.00 31.31 28.77 1uma n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1uma n ASP 60 N -1.05 -5.62 -4.59 -0.99 8.00 -1.07 -4.96 116.55 106.27 1uma n ASP 60 Ca 0.10 -0.05 -0.39 0.00 0.71 0.00 0.00 54.79 55.16 1uma n ASP 60 Cb 0.54 -4.63 -0.10 0.00 -0.02 0.00 0.00 41.12 36.91 1uma n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1uma s LYS 60 N -5.06 3.92 -0.44 -1.24 2.20 -0.54 -4.97 119.74 113.60 1uma s LYS 60 Ca 0.04 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.52 1uma s LYS 60 Cb -0.02 -3.68 0.19 0.00 -1.51 0.00 0.00 37.83 32.82 1uma s LYS 60 CO 0.05 -0.27 0.53 -1.71 -0.36 0.00 0.00 175.35 173.58 1uma n ASN 60 N 5.22 -1.45 -4.78 1.43 5.15 -1.23 0.27 115.26 119.87 1uma n ASN 60 Ca -0.11 -2.66 -0.37 0.00 -0.60 0.00 0.00 54.58 50.85 1uma n ASN 60 Cb 0.51 0.30 -0.05 0.00 -0.53 0.00 0.00 39.78 40.01 1uma n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1uma s PHE 60 N 0.15 3.43 0.28 1.20 0.08 0.29 -4.99 117.98 118.43 1uma s PHE 60 Ca 0.32 1.69 0.11 0.00 0.12 0.00 0.00 56.93 59.18 1uma s PHE 60 Cb 0.07 -3.05 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 1uma s PHE 60 CO -0.15 -0.30 -0.15 0.99 -0.10 0.00 0.00 175.22 175.52 1uma s THR 60 N -1.65 2.73 0.21 0.64 2.01 -1.26 -4.84 115.64 113.47 1uma s THR 60 Ca 0.55 -2.28 -0.17 0.00 0.31 0.00 0.00 61.69 60.09 1uma s THR 60 Cb -0.20 -2.45 0.21 0.00 0.01 0.00 0.00 72.50 70.06 1uma s THR 60 CO 0.26 -0.39 1.58 -0.33 -0.69 0.00 0.00 174.62 175.05 1uma h GLU 61 N 2.17 -0.08 0.00 4.92 4.39 -1.94 0.52 114.58 124.55 1uma h GLU 61 Ca -0.41 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1uma h GLU 61 Cb 1.26 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1uma h GLU 61 CO 0.60 -0.05 0.00 0.09 -1.16 0.00 0.00 179.01 178.49 1uma n ASN 62 N -5.47 0.00 0.02 1.42 3.02 -1.26 -2.59 115.26 110.40 1uma n ASN 62 Ca 0.07 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.99 1uma n ASN 62 Cb 0.38 -0.38 0.16 0.00 -0.61 0.00 0.00 39.78 39.33 1uma n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1uma n ASP 63 N -1.38 0.60 -4.42 6.41 8.00 0.18 -4.95 116.55 120.99 1uma n ASP 63 Ca 0.06 -0.20 -0.21 0.00 0.71 0.00 0.00 54.79 55.14 1uma n ASP 63 Cb 0.15 0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 41.54 1uma n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1uma s LEU 64 N -3.47 2.54 0.01 0.64 1.43 -1.07 -2.98 118.68 115.78 1uma s LEU 64 Ca 0.08 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.11 1uma s LEU 64 Cb 0.16 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 1uma s LEU 64 CO 0.74 -0.23 -0.13 -0.76 0.23 0.00 0.00 176.35 176.19 1uma s LEU 65 N -3.42 2.08 -0.17 1.79 1.02 0.25 -4.53 118.68 115.70 1uma s LEU 65 Ca 0.28 -0.32 -0.04 0.00 0.02 0.00 0.00 54.13 54.07 1uma s LEU 65 Cb 0.01 -0.63 -0.02 0.00 0.02 0.00 0.00 46.19 45.57 1uma s LEU 65 CO 0.11 0.10 -0.04 -0.69 0.02 0.00 0.00 176.35 175.86 1uma s VAL 66 N -0.52 3.78 -0.17 -1.59 1.01 -0.45 0.55 120.40 123.00 1uma s VAL 66 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1uma s VAL 66 Cb -0.06 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1uma s VAL 66 CO 0.00 0.47 -0.16 -0.13 0.00 0.00 0.00 175.10 175.28 1uma s ARG 67 N 0.64 3.14 0.09 2.72 0.52 -0.34 0.17 118.95 125.89 1uma s ARG 67 Ca -0.02 -0.77 0.09 0.00 -0.52 0.00 0.00 55.73 54.51 1uma s ARG 67 Cb -0.14 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1uma s ARG 67 CO 0.02 -0.11 -0.21 0.42 0.02 0.00 0.00 175.30 175.45 1uma s ILE 68 N 1.10 2.60 0.00 1.52 1.01 0.14 -0.19 121.20 127.38 1uma s ILE 68 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.18 1uma s ILE 68 Cb -0.14 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1uma s ILE 68 CO -0.05 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1uma n GLY 69 N 1.14 0.49 3.86 6.18 0.00 -1.26 -0.72 105.19 114.90 1uma n GLY 69 Ca -0.16 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1uma n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uma s LYS 70 N -1.19 3.44 0.16 1.61 1.02 -1.26 -4.39 119.74 119.13 1uma s LYS 70 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1uma s LYS 70 Cb 0.00 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1uma s LYS 70 CO 0.00 -0.69 0.00 1.58 -0.92 0.00 0.00 175.35 175.32 1uma n HIS 71 N -2.83 -1.12 -2.20 3.18 -0.00 -1.26 -4.92 115.22 106.07 1uma n HIS 71 Ca 0.06 0.20 -0.41 0.00 -0.00 0.00 0.00 57.72 57.57 1uma n HIS 71 Cb 0.54 0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.81 1uma n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1uma s SER 72 N -5.28 6.89 -0.00 0.26 0.15 -1.26 -0.68 113.70 113.78 1uma s SER 72 Ca 0.00 2.56 -0.25 0.00 0.70 0.00 0.00 55.95 58.96 1uma s SER 72 Cb 0.00 -2.64 -0.19 0.00 -1.71 0.00 0.00 66.02 61.48 1uma s SER 72 CO 0.00 -0.46 1.34 -0.09 1.20 0.00 0.00 173.24 175.24 1uma h ARG 73 N 3.80 0.04 0.00 5.44 2.43 -0.90 -3.38 114.38 121.81 1uma h ARG 73 Ca -0.48 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1uma h ARG 73 Cb 1.22 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1uma h ARG 73 CO 0.68 0.44 -1.83 0.25 -1.51 0.00 0.00 179.97 178.00 1uma n THR 74 N -4.86 0.01 -2.58 0.20 -2.24 -1.26 -4.98 114.28 98.57 1uma n THR 74 Ca -0.08 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 1uma n THR 74 Cb 0.23 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1uma n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uma s ARG 75 N -3.44 3.95 -0.69 -0.78 3.00 -1.26 -4.96 118.95 114.77 1uma s ARG 75 Ca -0.05 1.37 -0.19 0.00 0.00 0.00 0.00 55.73 56.85 1uma s ARG 75 Cb 0.14 -2.22 0.11 0.00 0.00 0.00 0.00 34.95 32.99 1uma s ARG 75 CO 0.90 -0.31 0.84 -0.47 0.00 0.00 0.00 175.30 176.27 1uma s TYR 76 N -1.92 3.02 -1.16 -0.53 5.04 -1.26 -4.89 117.35 115.65 1uma s TYR 76 Ca 0.64 -1.06 -0.23 0.00 -2.44 0.00 0.00 57.07 53.99 1uma s TYR 76 Cb -0.17 -4.11 -0.08 0.00 0.35 0.00 0.00 41.96 37.96 1uma s TYR 76 CO 0.21 -1.38 1.93 -1.21 -1.34 0.00 0.00 175.55 173.76 1uma s GLU 77 N 2.73 2.56 0.21 4.97 2.02 -1.26 -4.93 118.70 125.01 1uma s GLU 77 Ca 0.18 -1.11 -0.32 0.00 0.02 0.00 0.00 54.97 53.74 1uma s GLU 77 Cb -0.18 -5.24 -0.14 0.00 0.10 0.00 0.00 34.13 28.68 1uma s GLU 77 CO 0.03 -3.85 1.45 -2.13 0.02 0.00 0.00 175.26 170.77 1uma n ARG 77 N 8.35 2.03 -0.90 1.61 0.63 -1.26 -0.64 116.66 126.47 1uma n ARG 77 Ca 0.44 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 58.10 1uma n ARG 77 Cb 0.47 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 30.96 1uma n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1uma n ASN 78 N 2.53 -3.44 0.04 6.15 5.03 -1.26 -4.75 115.26 119.56 1uma n ASN 78 Ca 0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.58 1uma n ASN 78 Cb 0.30 -2.17 0.00 0.00 -1.02 0.00 0.00 39.78 36.89 1uma n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1uma n ILE 79 N -2.25 0.96 -1.89 2.41 5.41 0.18 -5.07 119.36 119.11 1uma n ILE 79 Ca 0.00 0.32 -0.31 0.00 1.00 0.00 0.00 62.75 63.76 1uma n ILE 79 Cb 0.22 -1.54 0.01 0.00 -0.71 0.00 0.00 39.64 37.63 1uma n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1uma s GLU 80 N -2.00 3.60 -0.04 0.38 -1.05 -0.28 -4.78 118.70 114.53 1uma s GLU 80 Ca 0.00 0.74 0.04 0.00 -0.15 0.00 0.00 54.97 55.60 1uma s GLU 80 Cb 0.00 -2.09 -0.00 0.00 -0.44 0.00 0.00 34.13 31.60 1uma s GLU 80 CO 0.00 -0.56 -0.17 0.15 0.95 0.00 0.00 175.26 175.64 1uma s LYS 81 N -5.16 1.69 -0.14 -4.83 3.01 0.11 -4.92 119.74 109.50 1uma s LYS 81 Ca 0.55 -0.58 -0.03 0.00 -1.01 0.00 0.00 55.97 54.90 1uma s LYS 81 Cb -0.11 -1.49 -0.03 0.00 -1.01 0.00 0.00 37.83 35.20 1uma s LYS 81 CO 0.54 0.24 -0.06 0.42 0.51 0.00 0.00 175.35 177.00 1uma s ILE 82 N 0.02 3.72 0.24 2.17 1.01 -1.26 0.27 121.20 127.38 1uma s ILE 82 Ca -0.03 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1uma s ILE 82 Cb -0.11 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1uma s ILE 82 CO 0.02 0.51 0.05 -0.44 0.00 0.00 0.00 174.94 175.07 1uma s SER 83 N 0.28 1.44 0.18 3.58 0.01 0.13 -4.96 113.70 114.35 1uma s SER 83 Ca -0.05 -1.30 0.06 0.00 1.31 0.00 0.00 55.95 55.98 1uma s SER 83 Cb -0.14 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 1uma s SER 83 CO 0.03 -0.63 0.08 -0.04 0.41 0.00 0.00 173.24 173.09 1uma s MET 84 N -3.96 2.68 -0.03 12.44 -1.94 -1.26 -1.35 119.30 125.89 1uma s MET 84 Ca 0.32 -1.00 -0.19 0.00 -1.71 0.00 0.00 55.69 53.11 1uma s MET 84 Cb 0.07 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.35 1uma s MET 84 CO 0.10 0.46 0.52 -0.51 -0.01 0.00 0.00 175.02 175.59 1uma s LEU 85 N -3.12 4.40 -0.15 -0.03 1.43 -1.26 0.18 118.68 120.12 1uma s LEU 85 Ca 0.30 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.28 1uma s LEU 85 Cb -0.09 -2.79 -0.24 0.00 0.03 0.00 0.00 46.19 43.10 1uma s LEU 85 CO 0.21 0.13 0.35 -0.08 0.23 0.00 0.00 176.35 177.19 1uma h GLU 86 N 5.69 0.16 -1.95 1.70 4.81 0.66 -3.42 114.58 122.23 1uma h GLU 86 Ca -0.46 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.46 1uma h GLU 86 Cb 1.20 0.10 -0.20 0.00 0.63 0.00 0.00 28.75 30.49 1uma h GLU 86 CO 0.69 1.13 0.23 0.21 -0.73 0.00 0.00 179.01 180.54 1uma s LYS 87 N -2.47 1.00 -0.08 1.92 2.36 -1.12 -4.99 119.74 116.37 1uma s LYS 87 Ca -0.24 0.27 0.01 0.00 -2.55 0.00 0.00 55.97 53.46 1uma s LYS 87 Cb 0.06 0.47 -0.03 0.00 -1.05 0.00 0.00 37.83 37.29 1uma s LYS 87 CO 0.70 -0.31 -0.10 0.42 1.55 0.00 0.00 175.35 177.61 1uma s ILE 88 N -1.13 3.38 -0.08 5.43 1.01 -1.26 -0.22 121.20 128.32 1uma s ILE 88 Ca -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1uma s ILE 88 Cb -0.00 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.11 1uma s ILE 88 CO 0.09 0.57 -0.06 -0.31 0.00 0.00 0.00 174.94 175.23 1uma s TYR 89 N -0.47 1.12 0.08 3.97 1.51 0.11 -5.00 117.35 118.65 1uma s TYR 89 Ca 0.06 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1uma s TYR 89 Cb -0.12 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1uma s TYR 89 CO 0.02 -0.35 0.03 0.42 -1.11 0.00 0.00 175.55 174.57 1uma s ILE 90 N 1.37 4.25 0.11 2.71 1.01 -1.26 -0.73 121.20 128.65 1uma s ILE 90 Ca -0.03 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.45 1uma s ILE 90 Cb -0.14 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 1uma s ILE 90 CO -0.03 0.14 1.79 -2.28 0.00 0.00 0.00 174.94 174.56 1uma s HIS 91 N -1.33 2.19 0.56 3.97 5.65 -1.04 -4.82 115.29 120.47 1uma s HIS 91 Ca 0.27 0.06 0.31 0.00 0.25 0.00 0.00 55.06 55.94 1uma s HIS 91 Cb -0.12 -4.12 1.45 0.00 -1.18 0.00 0.00 32.58 28.61 1uma s HIS 91 CO 0.19 -4.62 1.84 -1.00 -0.65 0.00 0.00 174.74 170.50 1uma h PRO 92 N 8.59 0.00 -0.38 2.88 0.13 -1.95 0.13 132.00 141.41 1uma h PRO 92 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1uma h PRO 92 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1uma h PRO 92 CO 0.94 0.00 0.02 0.54 -0.23 0.00 0.00 178.00 179.27 1uma n ARG 93 N -3.95 3.41 -1.69 0.86 1.74 -1.26 -5.00 116.66 110.77 1uma n ARG 93 Ca 0.16 -2.96 -0.44 0.00 -0.77 0.00 0.00 57.85 53.83 1uma n ARG 93 Cb 0.92 -1.98 -0.04 0.00 -1.02 0.00 0.00 32.46 30.35 1uma n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1uma n TYR 94 N -0.25 2.51 -3.40 -1.55 9.36 0.46 -4.73 117.16 119.55 1uma n TYR 94 Ca 0.25 0.11 -0.44 0.00 3.32 0.00 0.00 57.90 61.15 1uma n TYR 94 Cb 1.01 -2.63 -0.02 0.00 -0.63 0.00 0.00 39.34 37.08 1uma n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1uma s ASN 95 N 1.42 6.89 0.41 2.98 3.84 0.25 -4.83 114.94 125.90 1uma s ASN 95 Ca 0.79 -3.39 0.26 0.00 0.21 0.00 0.00 52.86 50.72 1uma s ASN 95 Cb -0.59 -2.14 0.71 0.00 -0.55 0.00 0.00 41.25 38.68 1uma s ASN 95 CO 0.36 -0.33 1.73 4.11 -2.79 0.00 0.00 177.10 180.18 1uma h TRP 96 N 6.81 0.00 -0.15 0.43 5.08 -1.91 0.35 115.95 126.56 1uma h TRP 96 Ca 0.15 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.97 1uma h TRP 96 Cb 0.90 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.06 1uma h TRP 96 CO 0.81 0.00 -0.56 0.00 -1.28 0.00 0.00 178.44 177.41 1uma h ARG 97 N 0.00 0.46 0.00 0.12 3.08 -1.99 -3.43 114.38 112.62 1uma h ARG 97 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1uma h ARG 97 Cb 0.80 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1uma h ARG 97 CO 0.00 0.90 -0.06 -1.91 -1.07 0.00 0.00 179.97 177.83 1uma n GLU 97 N -3.94 0.03 -0.61 0.04 2.13 -1.21 -4.97 120.64 112.11 1uma n GLU 97 Ca -0.03 0.01 0.04 0.00 0.66 0.00 0.00 57.16 57.84 1uma n GLU 97 Cb 0.60 -0.27 0.06 0.00 0.27 0.00 0.00 31.44 32.10 1uma n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1uma n ASN 98 N -2.81 0.91 -3.15 4.31 0.23 -1.18 -4.98 115.26 108.59 1uma n ASN 98 Ca -0.01 -2.44 -0.22 0.00 -0.53 0.00 0.00 54.58 51.39 1uma n ASN 98 Cb 0.03 -0.30 0.06 0.00 -2.08 0.00 0.00 39.78 37.48 1uma n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1uma n LEU 99 N -0.34 -3.01 -4.77 -4.53 4.77 0.12 -4.94 117.00 104.31 1uma n LEU 99 Ca 0.07 -0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.26 1uma n LEU 99 Cb 0.78 -2.87 -0.04 0.00 -2.33 0.00 0.00 43.42 38.96 1uma n LEU 99 CO -0.01 0.44 0.78 -0.62 -1.33 0.00 0.00 177.39 176.64 1uma s ASP 100 N -3.04 7.01 -1.04 -1.43 2.15 -1.22 -3.00 116.67 116.11 1uma s ASP 100 Ca 0.43 2.20 -0.01 0.00 0.43 0.00 0.00 52.55 55.60 1uma s ASP 100 Cb -0.19 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 1uma s ASP 100 CO 0.53 -0.32 0.88 0.54 -0.17 0.00 0.00 175.17 176.63 1uma n ARG 101 N 0.64 -5.82 -2.73 4.34 1.74 -1.26 0.84 116.66 114.40 1uma n ARG 101 Ca 0.02 0.72 -0.43 0.00 -0.77 0.00 0.00 57.85 57.38 1uma n ARG 101 Cb 0.47 -5.36 -0.01 0.00 -1.02 0.00 0.00 32.46 26.53 1uma n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uma s ASP 102 N -4.00 6.78 0.07 0.55 2.15 -1.16 -4.18 116.67 116.88 1uma s ASP 102 Ca 0.09 -2.28 -0.17 0.00 0.43 0.00 0.00 52.55 50.62 1uma s ASP 102 Cb -0.04 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1uma s ASP 102 CO 0.62 -1.12 0.40 -0.51 -0.17 0.00 0.00 175.17 174.39 1uma s ILE 103 N 3.45 0.06 -0.12 4.11 2.07 -1.26 -3.72 121.20 125.79 1uma s ILE 103 Ca 0.45 -0.51 -0.30 0.00 -1.41 0.00 0.00 60.65 58.88 1uma s ILE 103 Cb -0.00 -1.03 0.11 0.00 0.13 0.00 0.00 42.46 41.67 1uma s ILE 103 CO -0.02 -0.28 0.91 0.00 -1.91 0.00 0.00 174.94 173.64 1uma s ALA 104 N -2.93 -1.88 -0.03 1.50 0.00 0.24 -2.50 121.76 116.16 1uma s ALA 104 Ca -0.02 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1uma s ALA 104 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1uma s ALA 104 CO -0.06 -0.36 -0.07 -0.51 0.00 0.00 0.00 175.76 174.77 1uma s LEU 105 N -1.27 3.18 -0.10 0.00 1.43 0.10 -0.63 118.68 121.39 1uma s LEU 105 Ca -0.03 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1uma s LEU 105 Cb -0.00 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1uma s LEU 105 CO 0.02 0.32 -0.13 -0.04 0.23 0.00 0.00 176.35 176.75 1uma s MET 106 N -1.15 1.95 -0.23 1.70 -1.94 -0.05 0.06 119.30 119.64 1uma s MET 106 Ca 0.15 -0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 53.52 1uma s MET 106 Cb -0.11 -1.69 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1uma s MET 106 CO 0.05 -0.07 0.34 0.21 -0.01 0.00 0.00 175.02 175.54 1uma s LYS 107 N 1.00 4.11 0.44 2.03 2.20 0.69 -0.22 119.74 129.99 1uma s LYS 107 Ca -0.07 0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.36 1uma s LYS 107 Cb -0.15 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.52 1uma s LYS 107 CO -0.01 -0.08 1.06 -0.51 -0.36 0.00 0.00 175.35 175.45 1uma s LEU 108 N 1.45 4.02 0.26 5.43 1.43 0.14 0.12 118.68 131.53 1uma s LEU 108 Ca 0.15 2.04 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 1uma s LEU 108 Cb -0.15 -4.32 0.40 0.00 0.03 0.00 0.00 46.19 42.15 1uma s LEU 108 CO 0.08 -0.65 1.88 0.50 0.23 0.00 0.00 176.35 178.39 1uma h LYS 109 N 2.11 1.15 -3.87 1.70 3.64 0.17 -3.39 116.57 118.08 1uma h LYS 109 Ca -0.49 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 58.66 1uma h LYS 109 Cb 1.22 -0.26 -0.21 0.00 -0.41 0.00 0.00 32.23 32.57 1uma h LYS 109 CO 0.61 0.76 -0.65 0.15 -2.27 0.00 0.00 179.45 178.05 1uma s LYS 110 N -6.04 0.36 0.54 1.90 1.02 -1.26 -4.92 119.74 111.33 1uma s LYS 110 Ca -0.12 -0.57 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 1uma s LYS 110 Cb 0.20 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.59 1uma s LYS 110 CO 0.81 -0.07 1.32 -2.30 -0.92 0.00 0.00 175.35 174.19 1uma n PRO 111 N 1.54 1.64 -3.97 -1.68 -0.02 -1.26 -4.84 135.00 126.40 1uma n PRO 111 Ca -0.24 0.60 -0.28 0.00 -2.02 0.00 0.00 63.50 61.57 1uma n PRO 111 Cb 0.55 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1uma n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1uma s VAL 112 N -1.30 5.13 -0.06 -1.45 0.11 0.24 -4.99 120.40 118.08 1uma s VAL 112 Ca 0.71 -0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 58.96 1uma s VAL 112 Cb -0.43 -3.58 -0.05 0.00 -1.53 0.00 0.00 36.38 30.79 1uma s VAL 112 CO 0.50 -0.01 0.31 0.00 -3.33 0.00 0.00 175.10 172.57 1uma s ALA 113 N -1.65 3.74 0.71 1.54 0.00 -1.26 -4.82 121.76 120.02 1uma s ALA 113 Ca 0.34 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 1uma s ALA 113 Cb -0.12 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1uma s ALA 113 CO 0.27 0.47 1.10 -0.06 0.00 0.00 0.00 175.76 177.54 1uma s PHE 114 N -0.84 2.62 0.17 0.00 0.08 -1.26 -4.88 117.98 113.86 1uma s PHE 114 Ca 0.20 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.73 1uma s PHE 114 Cb -0.15 -3.10 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 1uma s PHE 114 CO 0.09 -1.72 0.36 -1.13 -0.10 0.00 0.00 175.22 172.72 1uma n SER 115 N -2.93 -1.00 0.30 1.36 3.41 -0.67 -4.94 113.62 109.15 1uma n SER 115 Ca 0.10 -1.69 0.16 0.00 -0.26 0.00 0.00 58.87 57.18 1uma n SER 115 Cb 0.52 1.67 0.93 0.00 -0.26 0.00 0.00 64.21 67.08 1uma n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1uma h ASP 116 N 0.87 0.00 -0.01 4.04 3.32 -1.99 -3.02 116.42 119.63 1uma h ASP 116 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1uma h ASP 116 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1uma h ASP 116 CO 0.19 0.01 -0.36 -1.22 -1.72 0.00 0.00 179.24 176.14 1uma n TYR 117 N -3.75 0.00 -3.80 4.55 4.01 -1.26 -4.79 117.16 112.13 1uma n TYR 117 Ca -0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 1uma n TYR 117 Cb 0.09 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.96 1uma n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1uma s ILE 118 N -1.90 0.66 -0.27 -0.72 1.01 -1.14 -4.03 121.20 114.79 1uma s ILE 118 Ca 0.12 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1uma s ILE 118 Cb 0.12 -0.93 0.07 0.00 0.01 0.00 0.00 42.46 41.73 1uma s ILE 118 CO 0.41 0.07 0.71 -2.28 0.00 0.00 0.00 174.94 173.85 1uma s HIS 119 N 1.83 -0.86 0.64 3.97 2.46 -0.71 -1.67 115.29 120.96 1uma s HIS 119 Ca 0.02 1.98 -0.13 0.00 0.47 0.00 0.00 55.06 57.40 1uma s HIS 119 Cb -0.15 0.37 -0.01 0.00 -0.13 0.00 0.00 32.58 32.66 1uma s HIS 119 CO -0.07 -0.42 1.06 -1.25 -2.47 0.00 0.00 174.74 171.59 1uma s PRO 120 N 0.71 3.12 0.29 2.88 0.04 -1.26 -2.52 135.00 138.26 1uma s PRO 120 Ca -0.03 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.14 1uma s PRO 120 Cb -0.05 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1uma s PRO 120 CO -0.05 -0.96 0.43 0.54 0.04 0.00 0.00 177.00 177.01 1uma s VAL 121 N -2.73 5.07 0.31 -0.36 0.11 -0.48 -4.90 120.40 117.43 1uma s VAL 121 Ca 0.61 -0.82 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1uma s VAL 121 Cb -0.15 -3.81 -0.06 0.00 -1.53 0.00 0.00 36.38 30.83 1uma s VAL 121 CO 0.45 -0.38 0.61 0.00 -3.33 0.00 0.00 175.10 172.45 1uma s LEU 123 N -3.50 4.42 0.68 0.00 1.43 -1.26 -1.17 118.68 119.28 1uma s LEU 123 Ca 0.46 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 54.11 1uma s LEU 123 Cb -0.11 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1uma s LEU 123 CO 0.29 0.36 1.12 -2.16 0.23 0.00 0.00 176.35 176.19 1uma s PRO 124 N -1.01 2.68 0.39 1.29 0.04 -1.26 -4.92 135.00 132.21 1uma s PRO 124 Ca 0.19 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1uma s PRO 124 Cb -0.14 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1uma s PRO 124 CO 0.08 -1.35 0.42 0.16 0.04 0.00 0.00 177.00 176.35 1uma s ASP 125 N -2.58 5.37 0.27 6.66 1.47 -1.26 -4.90 116.67 121.69 1uma s ASP 125 Ca 0.67 -0.54 -0.00 0.00 1.18 0.00 0.00 52.55 53.86 1uma s ASP 125 Cb -0.21 -0.77 0.56 0.00 -0.34 0.00 0.00 42.92 42.16 1uma s ASP 125 CO 0.43 -0.58 1.75 -0.09 0.68 0.00 0.00 175.17 177.36 1uma h ARG 126 N 0.97 0.56 0.00 2.11 2.43 -1.97 -1.21 114.38 117.27 1uma h ARG 126 Ca -0.42 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 58.52 1uma h ARG 126 Cb 1.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1uma h ARG 126 CO 0.54 0.37 -0.86 1.05 -1.51 0.00 0.00 179.97 179.56 1uma h GLU 127 N 0.58 0.17 -0.29 0.20 9.09 -2.03 0.78 114.58 123.07 1uma h GLU 127 Ca 0.47 -0.19 0.00 0.00 0.05 0.00 0.00 59.36 59.70 1uma h GLU 127 Cb 0.71 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1uma h GLU 127 CO -0.39 0.93 0.00 2.41 0.05 0.00 0.00 179.01 182.01 1uma n THR 128 N -3.65 0.00 0.00 -1.06 -1.04 -0.46 -1.32 114.28 106.75 1uma n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1uma n THR 128 Cb 0.80 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 1uma n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uma n ALA 129 N 0.37 0.00 0.11 2.41 0.00 0.27 -0.55 120.51 123.11 1uma n ALA 129 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1uma n ALA 129 Cb 0.07 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.59 1uma n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1uma h SER 129 N 0.00 0.09 0.00 0.00 4.64 -1.46 -3.37 113.55 113.45 1uma h SER 129 Ca 0.00 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.05 1uma h SER 129 Cb 0.00 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1uma h SER 129 CO 0.00 0.79 -2.21 0.18 -0.87 0.00 0.00 176.83 174.72 1uma n LEU 129 N -3.70 0.00 -3.70 5.97 4.77 0.28 -4.64 117.00 115.98 1uma n LEU 129 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1uma n LEU 129 Cb 0.71 0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 42.05 1uma n LEU 129 CO 0.44 0.28 2.39 0.18 -1.33 0.00 0.00 177.39 179.35 1uma n LEU 130 N -2.53 5.45 -4.08 2.23 4.77 -1.26 -4.78 117.00 116.81 1uma n LEU 130 Ca -0.20 -3.52 -0.21 0.00 -0.03 0.00 0.00 56.01 52.05 1uma n LEU 130 Cb 0.89 -1.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.44 1uma n LEU 130 CO 0.44 0.35 -0.46 -1.10 -1.33 0.00 0.00 177.39 175.29 1uma s GLN 131 N 4.13 0.98 0.13 3.23 -0.21 -1.26 -4.95 119.66 121.71 1uma s GLN 131 Ca 0.52 -0.44 -0.35 0.00 0.02 0.00 0.00 55.36 55.11 1uma s GLN 131 Cb 0.14 -0.95 -0.15 0.00 1.00 0.00 0.00 33.01 33.05 1uma s GLN 131 CO 0.02 0.26 1.48 0.00 -2.12 0.00 0.00 175.29 174.93 1uma n ALA 132 N 2.76 0.44 0.00 6.09 0.00 -1.26 -0.32 120.51 128.21 1uma n ALA 132 Ca -0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1uma n ALA 132 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1uma n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uma n GLY 133 N 3.04 3.18 3.77 0.00 0.00 0.19 -4.95 105.19 110.41 1uma n GLY 133 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1uma n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uma s TYR 134 N -2.75 3.37 0.07 1.61 1.51 0.56 -4.62 117.35 117.11 1uma s TYR 134 Ca 0.00 1.63 -0.01 0.00 -1.01 0.00 0.00 57.07 57.69 1uma s TYR 134 Cb 0.00 -3.32 -0.04 0.00 -0.11 0.00 0.00 41.96 38.49 1uma s TYR 134 CO 0.00 -0.84 0.24 0.15 -1.11 0.00 0.00 175.55 173.98 1uma s LYS 135 N -1.83 3.47 0.47 -0.62 1.02 -1.26 -0.64 119.74 120.34 1uma s LYS 135 Ca 0.50 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 56.13 1uma s LYS 135 Cb -0.31 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1uma s LYS 135 CO 0.39 0.59 0.07 0.20 -0.92 0.00 0.00 175.35 175.68 1uma s GLY 136 N -2.49 2.88 0.00 -3.33 0.00 0.24 -4.87 107.32 99.75 1uma s GLY 136 Ca 0.36 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.41 1uma s GLY 136 CO 0.27 -2.02 -0.09 -1.60 0.00 0.00 0.00 173.10 169.66 1uma s ARG 137 N -3.78 0.73 0.01 2.90 3.52 0.60 -0.49 118.95 122.43 1uma s ARG 137 Ca 0.13 -0.40 0.08 0.00 -0.13 0.00 0.00 55.73 55.41 1uma s ARG 137 Cb 0.01 -0.69 -0.02 0.00 -1.56 0.00 0.00 34.95 32.69 1uma s ARG 137 CO 0.08 0.18 -0.24 0.08 -0.81 0.00 0.00 175.30 174.60 1uma s VAL 138 N -0.37 1.92 0.10 7.11 1.01 0.26 -0.09 120.40 130.34 1uma s VAL 138 Ca 0.02 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.88 1uma s VAL 138 Cb -0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1uma s VAL 138 CO -0.00 0.43 -0.08 0.42 0.00 0.00 0.00 175.10 175.87 1uma s THR 139 N -0.67 0.83 0.00 3.92 -4.23 -1.24 -1.94 115.64 112.31 1uma s THR 139 Ca 0.10 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1uma s THR 139 Cb -0.09 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1uma s THR 139 CO 0.00 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1uma n GLY 140 N 0.21 1.30 1.30 3.99 0.00 -0.91 -4.59 105.19 106.49 1uma n GLY 140 Ca -0.14 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.02 1uma n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1uma n TRP 141 N -0.53 1.23 -0.92 1.61 8.01 -1.26 -2.13 117.44 123.45 1uma n TRP 141 Ca 0.00 -0.65 -0.29 0.00 -1.31 0.00 0.00 57.50 55.25 1uma n TRP 141 Cb 0.00 -0.23 0.23 0.00 -2.01 0.00 0.00 31.31 29.30 1uma n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1uma s GLY 142 N -1.12 1.54 0.76 6.99 0.00 -1.26 -4.54 107.32 109.70 1uma s GLY 142 Ca 0.45 -0.65 -0.15 0.00 0.00 0.00 0.00 44.72 44.37 1uma s GLY 142 CO 0.20 0.16 0.70 0.70 0.00 0.00 0.00 173.10 174.85 1uma n ASN 143 N -4.76 -0.64 0.01 1.64 3.02 0.16 -2.31 115.26 112.38 1uma n ASN 143 Ca 0.09 0.57 0.11 0.00 -0.03 0.00 0.00 54.58 55.33 1uma n ASN 143 Cb 0.58 -1.30 0.09 0.00 -0.61 0.00 0.00 39.78 38.54 1uma n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1uma n LEU 144 N -1.12 0.65 -3.62 3.41 4.77 -0.62 0.19 117.00 120.65 1uma n LEU 144 Ca 0.11 -0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1uma n LEU 144 Cb 0.50 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1uma n LEU 144 CO 0.50 0.11 0.22 -0.54 -1.33 0.00 0.00 177.39 176.35 1uma s LYS 145 N -3.08 0.95 0.17 3.23 1.02 -1.26 -4.29 119.74 116.49 1uma s LYS 145 Ca 0.08 -0.22 -0.15 0.00 0.02 0.00 0.00 55.97 55.69 1uma s LYS 145 Cb 0.16 0.43 0.14 0.00 -0.52 0.00 0.00 37.83 38.04 1uma s LYS 145 CO 0.77 -0.32 1.69 1.49 -0.92 0.00 0.00 175.35 178.06 1uma h GLU 146 N 3.02 0.10 -3.23 1.68 4.81 -1.93 -3.43 114.58 115.60 1uma h GLU 146 Ca -0.30 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.70 1uma h GLU 146 Cb 1.20 -0.02 -0.30 0.00 0.63 0.00 0.00 28.75 30.26 1uma h GLU 146 CO 0.42 0.06 -0.56 0.99 -0.73 0.00 0.00 179.01 179.19 1uma s THR 147 N -6.18 -0.03 0.00 0.32 2.01 -1.26 -4.98 115.64 105.51 1uma s THR 147 Ca -0.13 0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1uma s THR 147 Cb 0.15 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.39 1uma s THR 147 CO 0.71 0.05 0.00 -2.67 -0.69 0.00 0.00 174.62 172.02 1uma n TRP 148 N 3.87 0.00 0.00 4.92 2.14 -1.26 -5.10 117.44 122.01 1uma n TRP 148 Ca -0.22 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.35 1uma n TRP 148 Cb 0.54 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.04 1uma n TRP 148 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1uma n GLY 150 N 0.00 3.38 3.34 -1.67 0.00 -1.26 -5.04 105.19 103.94 1uma n GLY 150 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1uma n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uma s GLN 151 N 3.43 1.46 0.66 1.61 -0.21 -1.26 -1.58 119.66 123.77 1uma s GLN 151 Ca 0.00 -1.19 -0.11 0.00 0.02 0.00 0.00 55.36 54.08 1uma s GLN 151 Cb 0.00 -1.77 -0.01 0.00 1.00 0.00 0.00 33.01 32.23 1uma s GLN 151 CO 0.00 0.43 1.05 -1.25 -2.12 0.00 0.00 175.29 173.40 1uma s PRO 152 N -1.68 3.14 -0.09 2.91 0.04 -1.26 -4.95 135.00 133.10 1uma s PRO 152 Ca 0.11 0.51 0.10 0.00 0.04 0.00 0.00 61.00 61.76 1uma s PRO 152 Cb -0.10 -2.07 -0.24 0.00 0.04 0.00 0.00 34.50 32.13 1uma s PRO 152 CO 0.04 -0.83 0.49 -1.13 0.04 0.00 0.00 177.00 175.61 1uma n SER 153 N -2.86 0.97 -4.35 6.66 3.41 -1.26 -4.72 113.62 111.47 1uma n SER 153 Ca 0.06 0.30 -0.18 0.00 -0.26 0.00 0.00 58.87 58.79 1uma n SER 153 Cb 0.56 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1uma n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1uma s VAL 154 N -2.57 1.63 0.27 -3.33 0.11 -1.26 -0.24 120.40 115.00 1uma s VAL 154 Ca -0.09 -2.18 -0.29 0.00 -2.93 0.00 0.00 61.98 56.49 1uma s VAL 154 Cb 0.07 -2.09 -0.14 0.00 -1.53 0.00 0.00 36.38 32.70 1uma s VAL 154 CO 0.81 -0.56 1.17 -0.11 -3.33 0.00 0.00 175.10 173.08 1uma n LEU 155 N -0.39 2.37 -4.75 2.54 7.94 0.15 -4.83 117.00 120.03 1uma n LEU 155 Ca -0.08 1.17 -0.22 0.00 -1.11 0.00 0.00 56.01 55.77 1uma n LEU 155 Cb 0.61 -1.34 -0.06 0.00 0.53 0.00 0.00 43.42 43.16 1uma n LEU 155 CO 0.35 -1.01 -0.21 -1.10 -1.11 0.00 0.00 177.39 174.30 1uma s GLN 156 N -1.19 2.59 0.02 1.96 -1.52 -0.90 -0.47 119.66 120.15 1uma s GLN 156 Ca 0.62 -1.30 -0.05 0.00 -1.95 0.00 0.00 55.36 52.68 1uma s GLN 156 Cb -0.69 -2.35 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1uma s GLN 156 CO 0.57 0.29 0.09 0.08 -0.25 0.00 0.00 175.29 176.07 1uma s VAL 157 N -2.28 0.11 -0.17 1.09 1.01 0.12 -2.13 120.40 118.15 1uma s VAL 157 Ca 0.34 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1uma s VAL 157 Cb -0.06 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.74 1uma s VAL 157 CO 0.23 -0.51 0.57 0.54 0.00 0.00 0.00 175.10 175.93 1uma s VAL 158 N -2.00 0.01 -0.15 2.92 0.11 -0.82 -0.97 120.40 119.50 1uma s VAL 158 Ca -0.10 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 1uma s VAL 158 Cb -0.05 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1uma s VAL 158 CO -0.02 -0.02 0.10 0.20 -3.33 0.00 0.00 175.10 172.03 1uma s ASN 159 N -0.04 6.02 0.02 3.54 0.01 -1.26 -0.58 114.94 122.64 1uma s ASN 159 Ca -0.03 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 1uma s ASN 159 Cb -0.04 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 1uma s ASN 159 CO 0.02 0.30 -0.03 -0.76 -1.51 0.00 0.00 177.10 175.12 1uma s LEU 160 N -0.35 2.20 0.22 0.60 1.43 0.36 -4.92 118.68 118.21 1uma s LEU 160 Ca 0.10 -0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 52.52 1uma s LEU 160 Cb -0.12 0.04 -0.09 0.00 0.03 0.00 0.00 46.19 46.06 1uma s LEU 160 CO 0.01 -0.23 0.86 -2.16 0.23 0.00 0.00 176.35 175.07 1uma s PRO 161 N -1.21 4.68 0.41 1.29 0.04 -1.26 -0.59 135.00 138.35 1uma s PRO 161 Ca -0.12 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 1uma s PRO 161 Cb -0.08 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 1uma s PRO 161 CO -0.01 0.51 1.16 0.42 0.04 0.00 0.00 177.00 179.12 1uma s ILE 162 N -1.24 3.20 0.10 0.56 1.01 0.18 -0.86 121.20 124.15 1uma s ILE 162 Ca 0.40 0.98 0.07 0.00 0.00 0.00 0.00 60.65 62.10 1uma s ILE 162 Cb -0.23 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1uma s ILE 162 CO 0.28 0.07 -0.11 -0.69 0.00 0.00 0.00 174.94 174.50 1uma s VAL 163 N -1.45 3.33 0.35 2.92 1.01 -0.67 -0.63 120.40 125.26 1uma s VAL 163 Ca 0.58 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1uma s VAL 163 Cb -0.30 -2.55 -0.11 0.00 0.00 0.00 0.00 36.38 33.42 1uma s VAL 163 CO 0.37 0.13 1.52 -1.61 0.00 0.00 0.00 175.10 175.51 1uma s GLU 164 N -2.15 4.11 0.28 2.72 8.01 -1.26 -4.64 118.70 125.77 1uma s GLU 164 Ca 0.21 2.58 0.01 0.00 0.01 0.00 0.00 54.97 57.78 1uma s GLU 164 Cb -0.11 -2.98 0.68 0.00 -4.31 0.00 0.00 34.13 27.41 1uma s GLU 164 CO 0.13 -0.57 1.64 0.00 0.01 0.00 0.00 175.26 176.47 1uma h ARG 165 N 3.56 0.17 -0.36 1.61 3.08 -1.98 -1.38 114.38 119.07 1uma h ARG 165 Ca -0.50 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.50 1uma h ARG 165 Cb 1.23 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1uma h ARG 165 CO 0.69 0.11 0.07 -1.35 -1.07 0.00 0.00 179.97 178.42 1uma h PRO 166 N 0.17 0.59 -0.68 0.04 0.11 -1.99 -0.01 132.00 130.22 1uma h PRO 166 Ca 0.54 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 1uma h PRO 166 Cb 1.08 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1uma h PRO 166 CO -0.68 0.64 0.38 0.28 -0.21 0.00 0.00 178.00 178.41 1uma h VAL 167 N 0.43 1.20 0.21 3.15 2.07 -1.70 0.69 116.25 122.30 1uma h VAL 167 Ca 0.11 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1uma h VAL 167 Cb 0.33 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1uma h VAL 167 CO 0.00 0.22 -0.17 0.00 0.02 0.00 0.00 177.57 177.64 1uma h LYS 169 N -0.40 0.66 0.00 0.00 1.57 -0.68 -2.54 116.57 115.18 1uma h LYS 169 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1uma h LYS 169 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1uma h LYS 169 CO -0.02 0.44 0.00 -0.25 -0.57 0.00 0.00 179.45 179.04 1uma n ASP 170 N -4.78 0.00 -0.44 0.86 8.00 0.21 -2.47 116.55 117.93 1uma n ASP 170 Ca 0.07 -0.75 0.09 0.00 0.71 0.00 0.00 54.79 54.90 1uma n ASP 170 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1uma n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1uma n SER 171 N -0.91 1.83 -3.51 -2.24 3.41 -0.96 -4.99 113.62 106.25 1uma n SER 171 Ca 0.12 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 57.19 1uma n SER 171 Cb 0.06 0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1uma n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1uma s THR 172 N -1.97 0.00 -1.72 6.66 -1.32 -1.03 -4.89 115.64 111.37 1uma s THR 172 Ca 0.15 -1.52 0.18 0.00 -1.21 0.00 0.00 61.69 59.30 1uma s THR 172 Cb 0.14 -2.52 0.01 0.00 -1.51 0.00 0.00 72.50 68.63 1uma s THR 172 CO 0.41 0.00 0.94 0.54 -2.21 0.00 0.00 174.62 174.31 1uma n ARG 173 N -0.49 1.56 -2.57 7.08 1.74 -1.26 -4.94 116.66 117.78 1uma n ARG 173 Ca -0.00 -0.95 -0.39 0.00 -0.77 0.00 0.00 57.85 55.73 1uma n ARG 173 Cb 0.62 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 1uma n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uma s ILE 174 N -2.02 3.70 -0.36 0.55 1.01 -1.26 -4.99 121.20 117.83 1uma s ILE 174 Ca 0.16 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.14 1uma s ILE 174 Cb 0.15 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1uma s ILE 174 CO 0.43 0.32 1.31 -0.60 0.00 0.00 0.00 174.94 176.40 1uma s ARG 175 N -1.59 3.78 0.31 2.79 3.52 -1.26 -5.01 118.95 121.49 1uma s ARG 175 Ca 0.46 1.04 -0.26 0.00 -0.13 0.00 0.00 55.73 56.85 1uma s ARG 175 Cb -0.28 -3.93 -0.10 0.00 -1.56 0.00 0.00 34.95 29.08 1uma s ARG 175 CO 0.36 -1.30 0.92 0.42 -0.81 0.00 0.00 175.30 174.89 1uma s ILE 176 N 4.72 4.24 0.43 4.11 -1.09 -1.26 -4.85 121.20 127.50 1uma s ILE 176 Ca 0.56 1.78 0.04 0.00 -2.23 0.00 0.00 60.65 60.81 1uma s ILE 176 Cb -0.14 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1uma s ILE 176 CO 0.27 0.17 0.03 0.42 -1.23 0.00 0.00 174.94 174.60 1uma s THR 177 N -1.58 1.47 -0.60 2.92 -4.23 -1.26 -5.00 115.64 107.35 1uma s THR 177 Ca 0.49 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.21 1uma s THR 177 Cb -0.19 -2.65 0.21 0.00 1.34 0.00 0.00 72.50 71.21 1uma s THR 177 CO 0.24 0.00 1.63 0.47 -0.54 0.00 0.00 174.62 176.42 1uma n ASP 178 N -1.04 0.49 -0.92 3.99 8.00 -1.26 -2.42 116.55 123.39 1uma n ASP 178 Ca -0.09 0.63 0.04 0.00 0.71 0.00 0.00 54.79 56.08 1uma n ASP 178 Cb 0.67 -0.73 0.17 0.00 -0.02 0.00 0.00 41.12 41.21 1uma n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uma n ASN 179 N -2.05 2.60 -4.10 -2.24 3.02 -1.26 -4.86 115.26 106.38 1uma n ASN 179 Ca 0.02 -2.24 -0.09 0.00 -0.03 0.00 0.00 54.58 52.25 1uma n ASN 179 Cb 0.20 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 1uma n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1uma s MET 180 N -1.69 0.63 0.07 3.52 -1.94 -1.01 -1.03 119.30 117.84 1uma s MET 180 Ca 0.25 -1.14 -0.04 0.00 -1.71 0.00 0.00 55.69 53.05 1uma s MET 180 Cb 0.16 0.04 -0.03 0.00 2.01 0.00 0.00 34.83 37.02 1uma s MET 180 CO 0.11 -0.06 0.05 -0.59 -0.01 0.00 0.00 175.02 174.52 1uma s PHE 181 N -3.34 0.40 0.17 -0.03 -0.71 -0.49 -4.81 117.98 109.17 1uma s PHE 181 Ca 0.04 -0.91 0.09 0.00 -1.04 0.00 0.00 56.93 55.11 1uma s PHE 181 Cb 0.04 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1uma s PHE 181 CO -0.07 -0.44 -0.19 0.00 -1.34 0.00 0.00 175.22 173.19 1uma s ALA 183 N -2.07 -0.60 0.00 0.00 0.00 0.59 -1.68 121.76 118.01 1uma s ALA 183 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1uma s ALA 183 Cb -0.06 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1uma s ALA 183 CO 0.07 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1uma n GLY 184 N -0.05 3.20 3.88 0.00 0.00 -0.04 -1.68 105.19 110.50 1uma n GLY 184 Ca -0.16 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1uma n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uma s TYR 184 N -2.00 3.54 0.16 1.61 2.02 -1.26 -4.53 117.35 116.89 1uma s TYR 184 Ca 0.00 1.09 -0.16 0.00 -0.37 0.00 0.00 57.07 57.63 1uma s TYR 184 Cb 0.00 -2.51 -0.07 0.00 -0.40 0.00 0.00 41.96 38.97 1uma s TYR 184 CO 0.00 -0.36 0.59 0.15 -1.57 0.00 0.00 175.55 174.37 1uma s LYS 185 N -4.54 4.06 0.51 -0.62 -0.14 -1.26 -4.82 119.74 112.93 1uma s LYS 185 Ca 0.52 0.60 0.40 0.00 -1.36 0.00 0.00 55.97 56.13 1uma s LYS 185 Cb -0.10 -2.95 1.58 0.00 -1.68 0.00 0.00 37.83 34.68 1uma s LYS 185 CO 0.42 0.48 1.65 -1.35 -0.76 0.00 0.00 175.35 175.79 1uma h PRO 186 N 3.62 0.04 -0.56 -1.68 0.11 -1.95 0.94 132.00 132.53 1uma h PRO 186 Ca -0.49 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1uma h PRO 186 Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1uma h PRO 186 CO 0.65 0.03 -0.02 0.22 -0.21 0.00 0.00 178.00 178.67 1uma h ASP 186 N 0.04 0.98 -0.21 -2.05 1.82 -1.96 -3.28 116.42 111.77 1uma h ASP 186 Ca 0.81 -0.31 0.06 0.00 -0.39 0.00 0.00 57.03 57.19 1uma h ASP 186 Cb 2.99 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 42.73 1uma h ASP 186 CO -0.14 1.06 0.21 -0.33 -1.61 0.00 0.00 179.24 178.43 1uma h GLU 186 N 0.88 0.00 -5.78 0.28 5.08 0.56 -3.47 114.58 112.13 1uma h GLU 186 Ca 0.16 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.19 1uma h GLU 186 Cb 0.57 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.96 1uma h GLU 186 CO 0.03 0.00 -0.88 0.41 -1.00 0.00 0.00 179.01 177.57 1uma n GLY 186 N -1.44 -1.01 3.64 -3.84 0.00 -1.24 -5.00 105.19 96.31 1uma n GLY 186 Ca 0.02 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 1uma n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uma s LYS 186 N -5.11 0.40 0.00 1.61 2.20 -1.26 -5.17 119.74 112.40 1uma s LYS 186 Ca 0.42 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1uma s LYS 186 Cb -0.09 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1uma s LYS 186 CO 0.79 -0.07 0.00 0.54 -0.36 0.00 0.00 175.35 176.25 1uma n ARG 187 N 3.22 1.89 0.00 4.03 5.12 -1.26 -4.66 116.66 125.00 1uma n ARG 187 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1uma n ARG 187 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 1uma n ARG 187 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uma n GLY 188 N 4.56 4.21 3.62 -0.13 0.00 -1.25 -4.92 105.19 111.29 1uma n GLY 188 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 1uma n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uma s ASP 189 N 0.00 -0.17 0.60 1.61 2.15 -0.56 -4.72 116.67 115.58 1uma s ASP 189 Ca 0.00 -0.14 -0.10 0.00 0.43 0.00 0.00 52.55 52.74 1uma s ASP 189 Cb 0.00 0.29 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 1uma s ASP 189 CO 0.00 -0.50 0.98 0.00 -0.17 0.00 0.00 175.17 175.48 1uma s ALA 190 N -2.79 3.15 0.17 3.66 0.00 -1.26 -0.64 121.76 124.05 1uma s ALA 190 Ca 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 1uma s ALA 190 Cb 0.01 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1uma s ALA 190 CO -0.04 -0.67 0.23 0.00 0.00 0.00 0.00 175.76 175.29 1uma n GLU 192 N -0.29 1.72 0.00 0.00 2.13 -1.26 -0.67 120.64 122.27 1uma n GLU 192 Ca 0.01 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1uma n GLU 192 Cb 0.29 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1uma n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uma n GLY 193 N 2.20 3.29 0.06 8.31 0.00 -1.26 0.37 105.19 118.16 1uma n GLY 193 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1uma n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uma h ASP 194 N 0.00 0.00 -3.66 1.61 3.32 -1.24 -3.31 116.42 113.15 1uma h ASP 194 Ca 0.00 -0.23 -0.57 0.00 0.02 0.00 0.00 57.03 56.26 1uma h ASP 194 Cb 0.00 0.00 0.17 0.00 0.22 0.00 0.00 39.33 39.72 1uma h ASP 194 CO 0.00 0.11 0.13 -1.20 -1.72 0.00 0.00 179.24 176.57 1uma n SER 195 N -2.14 0.74 0.00 6.45 7.64 -1.26 -1.69 113.62 123.36 1uma n SER 195 Ca 0.03 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1uma n SER 195 Cb 0.45 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1uma n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uma n GLY 196 N 1.24 2.48 3.80 0.23 0.00 -0.19 0.16 105.19 112.92 1uma n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1uma n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uma s GLY 197 N -1.86 1.58 0.18 -0.02 0.00 -0.68 -3.26 107.32 103.25 1uma s GLY 197 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 44.72 44.05 1uma s GLY 197 CO 0.00 -0.00 0.54 2.56 0.00 0.00 0.00 173.10 176.20 1uma s PRO 198 N -5.33 3.88 -0.25 2.90 0.04 -1.26 -0.01 135.00 134.98 1uma s PRO 198 Ca 0.64 0.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 1uma s PRO 198 Cb -0.14 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1uma s PRO 198 CO 0.53 0.41 -0.01 0.12 0.04 0.00 0.00 177.00 178.08 1uma s PHE 199 N -1.63 3.04 0.26 0.56 2.19 0.60 -3.64 117.98 119.36 1uma s PHE 199 Ca 0.42 -1.09 0.10 0.00 0.33 0.00 0.00 56.93 56.69 1uma s PHE 199 Cb -0.13 -2.13 -0.05 0.00 -1.31 0.00 0.00 43.02 39.40 1uma s PHE 199 CO 0.20 -0.60 -0.17 0.14 1.83 0.00 0.00 175.22 176.62 1uma s VAL 200 N 1.45 2.18 0.06 3.12 -7.23 0.87 -1.17 120.40 119.68 1uma s VAL 200 Ca 0.04 -2.32 0.03 0.00 -1.81 0.00 0.00 61.98 57.92 1uma s VAL 200 Cb -0.16 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1uma s VAL 200 CO -0.02 -0.46 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.17 1uma s MET 201 N -3.57 0.66 -0.26 4.82 -1.94 0.76 -0.29 119.30 119.48 1uma s MET 201 Ca 0.27 -0.85 -0.10 0.00 -1.71 0.00 0.00 55.69 53.31 1uma s MET 201 Cb -0.03 -0.52 -0.05 0.00 2.01 0.00 0.00 34.83 36.24 1uma s MET 201 CO 0.12 0.11 0.15 0.21 -0.01 0.00 0.00 175.02 175.60 1uma s LYS 202 N -1.66 3.93 0.11 2.03 2.20 -1.26 0.60 119.74 125.69 1uma s LYS 202 Ca -0.06 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 54.90 1uma s LYS 202 Cb -0.10 -3.53 -0.08 0.00 -1.51 0.00 0.00 37.83 32.61 1uma s LYS 202 CO 0.01 -0.08 1.36 0.45 -0.36 0.00 0.00 175.35 176.73 1uma s SER 203 N 1.43 6.86 0.08 1.43 0.15 0.43 -4.89 113.70 119.20 1uma s SER 203 Ca 0.07 2.29 0.27 0.00 0.70 0.00 0.00 55.95 59.28 1uma s SER 203 Cb -0.15 -2.59 1.05 0.00 -1.71 0.00 0.00 66.02 62.62 1uma s SER 203 CO 0.07 -0.62 1.85 -0.81 1.20 0.00 0.00 173.24 174.93 1uma n PRO 204 N 3.89 0.10 0.04 5.44 -0.04 -1.26 -0.98 135.00 142.19 1uma n PRO 204 Ca 0.11 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 1uma n PRO 204 Cb 0.43 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 1uma n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1uma h PHE 204 N 0.00 0.61 0.00 0.54 0.04 -1.97 -3.41 116.94 112.75 1uma h PHE 204 Ca 0.00 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1uma h PHE 204 Cb 0.57 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1uma h PHE 204 CO 0.00 1.66 -0.00 0.27 -0.60 0.00 0.00 178.31 179.64 1uma n ASN 204 N -3.67 1.52 0.00 2.17 2.04 -1.23 -5.01 115.26 111.07 1uma n ASN 204 Ca -0.26 -1.79 0.00 0.00 -0.44 0.00 0.00 54.58 52.09 1uma n ASN 204 Cb 1.02 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 38.26 1uma n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1uma n ASN 205 N -0.40 -4.26 -4.93 0.53 4.13 -0.15 -4.98 115.26 105.20 1uma n ASN 205 Ca 0.00 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.00 1uma n ASN 205 Cb 0.32 -2.45 -0.03 0.00 -1.54 0.00 0.00 39.78 36.09 1uma n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1uma s ARG 206 N -1.28 3.52 -0.07 3.52 0.52 -1.26 -4.77 118.95 119.14 1uma s ARG 206 Ca 0.00 -0.33 -0.19 0.00 -0.52 0.00 0.00 55.73 54.69 1uma s ARG 206 Cb 0.00 -2.80 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 1uma s ARG 206 CO 0.00 0.35 0.54 -1.58 0.02 0.00 0.00 175.30 174.63 1uma s TRP 207 N -1.96 3.59 -0.03 -0.53 0.52 -1.26 -0.43 118.94 118.84 1uma s TRP 207 Ca 0.39 1.04 0.07 0.00 0.02 0.00 0.00 56.10 57.62 1uma s TRP 207 Cb -0.11 -2.59 -0.02 0.00 -1.15 0.00 0.00 33.47 29.61 1uma s TRP 207 CO 0.30 0.24 -0.25 0.71 0.02 0.00 0.00 176.95 177.97 1uma s TYR 208 N 0.30 2.31 -0.46 -1.98 2.02 0.20 -1.91 117.35 117.84 1uma s TYR 208 Ca 0.29 -0.52 -0.22 0.00 -0.37 0.00 0.00 57.07 56.25 1uma s TYR 208 Cb -0.16 -1.50 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1uma s TYR 208 CO 0.14 -0.10 0.72 -1.14 -1.57 0.00 0.00 175.55 173.60 1uma s GLN 209 N -0.44 3.32 0.07 -0.62 0.74 -0.32 -0.17 119.66 122.24 1uma s GLN 209 Ca 0.05 -0.30 0.17 0.00 0.05 0.00 0.00 55.36 55.34 1uma s GLN 209 Cb -0.11 -3.96 -0.12 0.00 1.10 0.00 0.00 33.01 29.91 1uma s GLN 209 CO 0.01 -1.10 0.84 -1.33 -0.55 0.00 0.00 175.29 173.15 1uma n MET 210 N 6.52 0.62 -4.15 1.67 2.81 -0.31 -4.35 117.12 119.93 1uma n MET 210 Ca -0.00 0.21 -0.10 0.00 -1.81 0.00 0.00 57.70 56.00 1uma n MET 210 Cb 0.48 -1.81 -0.10 0.00 -0.71 0.00 0.00 33.22 31.08 1uma n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1uma s GLY 211 N -4.76 1.06 -0.07 3.03 0.00 -0.96 -1.79 107.32 103.84 1uma s GLY 211 Ca -0.03 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.24 1uma s GLY 211 CO 0.81 -1.35 -0.21 -0.42 0.00 0.00 0.00 173.10 171.94 1uma s ILE 212 N -4.07 1.74 -0.16 0.90 1.01 -1.03 -0.29 121.20 119.31 1uma s ILE 212 Ca 0.27 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 1uma s ILE 212 Cb 0.07 -1.50 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1uma s ILE 212 CO 0.04 0.49 2.13 0.52 0.00 0.00 0.00 174.94 178.12 1uma n VAL 213 N 3.32 0.46 0.01 2.92 0.31 0.99 -1.22 118.33 125.12 1uma n VAL 213 Ca -0.19 -0.33 -0.02 0.00 -0.01 0.00 0.00 64.34 63.79 1uma n VAL 213 Cb 0.52 -2.34 -0.01 0.00 -0.91 0.00 0.00 33.84 31.10 1uma n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1uma n SER 214 N 10.01 1.33 -3.73 4.52 2.88 -0.72 -1.02 113.62 126.90 1uma n SER 214 Ca 0.28 0.19 -0.09 0.00 -1.33 0.00 0.00 58.87 57.92 1uma n SER 214 Cb 0.40 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.38 1uma n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1uma s TRP 215 N -2.23 -0.16 -0.19 0.66 1.48 -0.79 -4.92 118.94 112.79 1uma s TRP 215 Ca -0.08 -0.18 -0.33 0.00 -1.06 0.00 0.00 56.10 54.45 1uma s TRP 215 Cb 0.01 0.46 0.14 0.00 -1.16 0.00 0.00 33.47 32.92 1uma s TRP 215 CO 0.12 -0.97 1.17 0.20 -4.06 0.00 0.00 176.95 173.42 1uma s GLY 216 N -2.87 -0.23 -0.55 3.67 0.00 -1.26 0.31 107.32 106.39 1uma s GLY 216 Ca 0.09 1.88 -0.17 0.00 0.00 0.00 0.00 44.72 46.52 1uma s GLY 216 CO -0.02 0.72 0.56 -0.54 0.00 0.00 0.00 173.10 173.82 1uma s GLU 217 N -1.96 3.01 1.94 2.90 2.02 -1.26 -4.91 118.70 120.43 1uma s GLU 217 Ca 0.07 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.49 1uma s GLU 217 Cb -0.01 -4.28 0.00 0.00 0.10 0.00 0.00 34.13 29.94 1uma s GLU 217 CO -0.05 -1.38 0.00 0.41 0.02 0.00 0.00 175.26 174.26 1uma n GLY 219 N 5.26 -1.48 2.78 -1.39 0.00 -1.26 -4.66 105.19 104.43 1uma n GLY 219 Ca -0.12 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 1uma n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uma n ASP 221 N 4.65 -5.63 -4.82 0.00 2.03 -1.26 -4.64 116.55 106.89 1uma n ASP 221 Ca -0.16 -0.03 -0.33 0.00 0.52 0.00 0.00 54.79 54.78 1uma n ASP 221 Cb 0.50 -4.65 -0.07 0.00 -0.72 0.00 0.00 41.12 36.19 1uma n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1uma s ARG 221 N -5.02 4.20 0.25 -0.67 0.52 -1.26 -4.93 118.95 112.05 1uma s ARG 221 Ca 0.02 0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 1uma s ARG 221 Cb -0.01 -2.38 -0.10 0.00 0.52 0.00 0.00 34.95 32.99 1uma s ARG 221 CO 0.02 0.09 1.39 -0.51 0.02 0.00 0.00 175.30 176.32 1uma s ASP 222 N -2.11 6.72 0.00 0.23 1.11 -1.26 -2.27 116.67 119.09 1uma s ASP 222 Ca 0.57 2.62 0.00 0.00 0.18 0.00 0.00 52.55 55.92 1uma s ASP 222 Cb -0.11 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1uma s ASP 222 CO 0.16 -0.64 0.00 0.61 1.18 0.00 0.00 175.17 176.48 1uma n GLY 223 N 1.99 0.43 3.47 0.21 0.00 -1.26 -5.01 105.19 105.02 1uma n GLY 223 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1uma n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uma s LYS 224 N -0.49 1.68 0.27 1.61 -0.14 -0.96 -4.80 119.74 116.90 1uma s LYS 224 Ca 0.00 -1.60 0.02 0.00 -1.36 0.00 0.00 55.97 53.04 1uma s LYS 224 Cb 0.00 -1.86 -0.05 0.00 -1.68 0.00 0.00 37.83 34.23 1uma s LYS 224 CO 0.00 0.37 0.07 0.71 -0.76 0.00 0.00 175.35 175.74 1uma s TYR 225 N -2.06 1.63 0.00 3.18 2.02 -1.26 -4.74 117.35 116.12 1uma s TYR 225 Ca 0.26 -1.08 -0.09 0.00 -0.37 0.00 0.00 57.07 55.79 1uma s TYR 225 Cb -0.07 -0.98 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 1uma s TYR 225 CO 0.13 -0.20 0.30 0.20 -1.57 0.00 0.00 175.55 174.41 1uma s GLY 226 N -3.35 2.30 -0.05 0.71 0.00 -0.67 -4.45 107.32 101.81 1uma s GLY 226 Ca 0.35 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1uma s GLY 226 CO 0.13 -0.25 -0.04 -1.36 0.00 0.00 0.00 173.10 171.58 1uma s PHE 227 N -1.24 3.00 0.05 1.90 0.40 0.15 -0.30 117.98 121.93 1uma s PHE 227 Ca 0.26 0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.69 1uma s PHE 227 Cb -0.14 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1uma s PHE 227 CO 0.14 0.39 -0.13 0.71 0.70 0.00 0.00 175.22 177.03 1uma s TYR 228 N -0.91 1.14 0.23 0.36 1.51 0.19 -1.75 117.35 118.13 1uma s TYR 228 Ca 0.15 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1uma s TYR 228 Cb -0.11 -0.67 -0.09 0.00 -0.11 0.00 0.00 41.96 40.98 1uma s TYR 228 CO 0.04 0.03 1.34 0.99 -1.11 0.00 0.00 175.55 176.84 1uma s THR 229 N -0.98 3.00 -0.84 -0.71 2.01 -0.35 -1.40 115.64 116.36 1uma s THR 229 Ca -0.00 0.85 -0.23 0.00 0.31 0.00 0.00 61.69 62.61 1uma s THR 229 Cb -0.08 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 68.95 1uma s THR 229 CO 0.01 0.14 1.21 -2.28 -0.69 0.00 0.00 174.62 173.02 1uma s HIS 230 N -0.11 2.63 0.17 4.92 2.46 -0.20 -2.46 115.29 122.71 1uma s HIS 230 Ca 0.56 -0.68 -0.14 0.00 0.47 0.00 0.00 55.06 55.27 1uma s HIS 230 Cb -0.38 -4.49 0.11 0.00 -0.13 0.00 0.00 32.58 27.69 1uma s HIS 230 CO 0.41 -1.80 1.80 0.28 -2.47 0.00 0.00 174.74 172.96 1uma h VAL 231 N 6.19 1.01 -0.29 0.89 2.07 -1.66 -2.67 116.25 121.79 1uma h VAL 231 Ca -0.06 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1uma h VAL 231 Cb 1.04 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1uma h VAL 231 CO 1.26 0.10 0.05 0.15 0.02 0.00 0.00 177.57 179.14 1uma h PHE 232 N 0.54 0.07 -0.13 1.57 3.57 -1.87 0.36 116.94 121.06 1uma h PHE 232 Ca 0.21 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1uma h PHE 232 Cb 0.07 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1uma h PHE 232 CO -0.08 0.01 0.21 0.00 -2.23 0.00 0.00 178.31 176.21 1uma h ARG 233 N 0.15 0.00 -0.48 1.11 2.47 -1.86 0.25 114.38 116.01 1uma h ARG 233 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1uma h ARG 233 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1uma h ARG 233 CO -0.19 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.62 1uma n LEU 234 N -3.52 4.02 -0.26 3.04 4.77 0.00 -4.64 117.00 120.41 1uma n LEU 234 Ca 0.01 -2.42 -0.00 0.00 -0.03 0.00 0.00 56.01 53.56 1uma n LEU 234 Cb 0.31 -0.47 0.21 0.00 -2.33 0.00 0.00 43.42 41.14 1uma n LEU 234 CO 0.24 0.77 1.25 0.50 -1.33 0.00 0.00 177.39 178.81 1uma h LYS 235 N 3.02 1.08 -0.80 3.23 3.64 0.70 -2.51 116.57 124.93 1uma h LYS 235 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1uma h LYS 235 Cb 1.23 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1uma h LYS 235 CO 0.15 0.72 0.50 0.87 -2.27 0.00 0.00 179.45 179.43 1uma h LYS 236 N 1.11 1.08 -0.55 1.90 1.79 -1.82 0.17 116.57 120.25 1uma h LYS 236 Ca 0.30 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1uma h LYS 236 Cb -0.11 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.28 1uma h LYS 236 CO -0.06 0.74 0.18 2.35 -1.08 0.00 0.00 179.45 181.58 1uma h TRP 237 N 1.10 0.82 0.16 -1.35 7.01 -1.80 0.34 115.95 122.22 1uma h TRP 237 Ca 0.29 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1uma h TRP 237 Cb -0.08 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.74 1uma h TRP 237 CO -0.01 0.66 -0.08 0.82 -2.79 0.00 0.00 178.44 177.05 1uma h ILE 238 N 0.79 0.86 -0.25 2.65 2.04 -0.56 -0.31 117.51 122.73 1uma h ILE 238 Ca 0.18 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1uma h ILE 238 Cb 0.22 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1uma h ILE 238 CO -0.01 0.02 0.00 1.56 0.00 0.00 0.00 178.15 179.72 1uma h GLN 239 N -0.24 0.08 -0.22 2.37 4.20 -0.53 -0.72 115.11 120.04 1uma h GLN 239 Ca -0.02 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.74 1uma h GLN 239 Cb 0.19 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 1uma h GLN 239 CO 0.04 0.05 -0.35 -0.22 -0.67 0.00 0.00 178.83 177.68 1uma h LYS 240 N 0.08 -0.35 -0.67 1.46 3.64 -0.72 0.35 116.57 120.35 1uma h LYS 240 Ca 0.12 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1uma h LYS 240 Cb 0.15 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1uma h LYS 240 CO -0.19 -0.24 0.15 -0.24 -2.27 0.00 0.00 179.45 176.66 1uma h VAL 241 N -0.37 1.26 -0.26 2.00 3.04 -0.49 0.14 116.25 121.57 1uma h VAL 241 Ca 0.12 -0.97 -0.10 0.00 -1.01 0.00 0.00 66.70 64.73 1uma h VAL 241 Cb 0.56 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1uma h VAL 241 CO -0.43 0.37 -0.27 0.40 -1.01 0.00 0.00 177.57 176.63 1uma h ILE 242 N 1.02 1.27 0.00 3.17 2.04 -0.14 -1.51 117.51 123.37 1uma h ILE 242 Ca 0.21 -1.32 -0.24 0.00 1.00 0.00 0.00 64.86 64.51 1uma h ILE 242 Cb 0.38 1.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1uma h ILE 242 CO 0.00 0.42 -0.97 -2.24 0.00 0.00 0.00 178.15 175.36 1uma h ASP 243 N 0.45 0.64 1.08 1.72 3.04 0.04 -0.51 116.42 122.88 1uma h ASP 243 Ca 0.06 -0.52 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1uma h ASP 243 Cb 0.71 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 1uma h ASP 243 CO 0.05 1.32 0.00 1.67 -2.04 0.00 0.00 179.24 180.24 1uma n GLN 244 N -3.77 0.14 -0.12 4.15 7.27 0.00 -4.13 117.38 120.92 1uma n GLN 244 Ca -0.08 0.19 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1uma n GLN 244 Cb 0.85 -1.68 0.01 0.00 2.41 0.00 0.00 30.24 31.82 1uma n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1uma n PHE 245 N -1.92 0.00 0.00 3.69 3.72 -0.57 -5.07 117.46 117.30 1uma n PHE 245 Ca 0.05 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1uma n PHE 245 Cb 0.34 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1uma n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uma n GLY 246 N -0.13 0.05 2.06 1.37 0.00 -0.21 -5.00 105.19 103.33 1uma n GLY 246 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1uma n GLY 246 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11