#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f68 s VAL 17 N 0.00 5.23 -0.77 1.39 1.01 0.64 -4.06 120.40 123.83 3f68 s VAL 17 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3f68 s VAL 17 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3f68 s VAL 17 CO 0.00 0.23 0.00 -0.62 0.00 0.00 0.00 175.10 174.71 3f68 n GLU 18 N 4.80 -0.68 0.00 2.72 -0.58 -1.26 -2.04 120.64 123.59 3f68 n GLU 18 Ca -0.10 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 3f68 n GLU 18 Cb 0.51 -4.45 0.00 0.00 -0.57 0.00 0.00 31.44 26.93 3f68 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f68 n GLY 19 N -1.14 1.71 3.24 0.62 0.00 -1.26 -4.73 105.19 103.63 3f68 n GLY 19 Ca -0.10 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 3f68 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f68 s SER 20 N -1.00 0.18 0.08 1.61 1.04 0.19 -4.90 113.70 110.90 3f68 s SER 20 Ca 0.00 -1.12 -0.32 0.00 0.48 0.00 0.00 55.95 54.99 3f68 s SER 20 Cb 0.00 0.37 -0.12 0.00 0.10 0.00 0.00 66.02 66.37 3f68 s SER 20 CO 0.00 -0.82 1.80 0.47 0.98 0.00 0.00 173.24 175.67 3f68 n ASP 21 N -0.18 3.70 -4.72 7.02 9.92 -1.26 -0.52 116.55 130.51 3f68 n ASP 21 Ca -0.05 1.00 -0.36 0.00 -0.53 0.00 0.00 54.79 54.85 3f68 n ASP 21 Cb 0.64 -1.48 0.08 0.00 -0.64 0.00 0.00 41.12 39.72 3f68 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3f68 s ALA 22 N 2.71 2.27 0.54 2.24 0.00 0.08 -4.81 121.76 124.78 3f68 s ALA 22 Ca 0.84 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.79 3f68 s ALA 22 Cb -0.57 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 18.94 3f68 s ALA 22 CO 0.41 -1.74 1.02 -1.21 0.00 0.00 0.00 175.76 174.23 3f68 s GLU 23 N -3.53 3.69 0.19 0.00 2.02 -1.26 -4.96 118.70 114.84 3f68 s GLU 23 Ca 0.81 1.09 -0.33 0.00 0.02 0.00 0.00 54.97 56.56 3f68 s GLU 23 Cb -0.36 -2.09 -0.13 0.00 0.10 0.00 0.00 34.13 31.65 3f68 s GLU 23 CO 0.42 -0.50 1.61 -0.89 0.02 0.00 0.00 175.26 175.91 3f68 n ILE 24 N -1.69 0.13 -1.02 -1.63 2.08 -1.26 -2.22 119.36 113.75 3f68 n ILE 24 Ca 0.08 -0.03 -0.01 0.00 0.56 0.00 0.00 62.75 63.35 3f68 n ILE 24 Cb 0.53 -1.68 -0.00 0.00 -0.75 0.00 0.00 39.64 37.74 3f68 n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3f68 n GLY 25 N 3.40 0.34 0.24 7.39 0.00 -1.26 -4.90 105.19 110.39 3f68 n GLY 25 Ca 0.16 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3f68 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3f68 h MET 26 N 0.51 0.00 -2.02 1.61 -1.53 -1.82 -3.36 114.93 108.32 3f68 h MET 26 Ca -0.01 0.00 -0.50 0.00 -3.44 0.00 0.00 59.70 55.74 3f68 h MET 26 Cb 0.46 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.11 3f68 h MET 26 CO 0.02 0.06 -1.14 0.45 0.14 0.00 0.00 176.91 176.44 3f68 n SER 27 N -3.14 0.94 0.00 1.39 2.88 -1.26 -4.99 113.62 109.44 3f68 n SER 27 Ca 0.02 -2.99 0.10 0.00 -1.33 0.00 0.00 58.87 54.67 3f68 n SER 27 Cb 0.45 -0.62 0.57 0.00 -0.75 0.00 0.00 64.21 63.86 3f68 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3f68 n PRO 28 N 0.48 0.50 0.00 -1.46 -0.04 -1.26 -0.56 135.00 132.66 3f68 n PRO 28 Ca 0.25 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 3f68 n PRO 28 Cb 0.62 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.90 3f68 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3f68 n TRP 29 N -1.12 0.00 -2.19 0.54 2.14 -0.96 -1.17 117.44 114.68 3f68 n TRP 29 Ca 0.13 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.29 3f68 n TRP 29 Cb 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.55 3f68 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3f68 s GLN 30 N -2.21 4.36 0.00 -2.67 2.00 0.28 -1.13 119.66 120.29 3f68 s GLN 30 Ca 0.29 2.08 0.06 0.00 -2.00 0.00 0.00 55.36 55.80 3f68 s GLN 30 Cb 0.20 -3.21 -0.03 0.00 0.80 0.00 0.00 33.01 30.78 3f68 s GLN 30 CO 0.41 -0.32 -0.19 0.08 -0.50 0.00 0.00 175.29 174.77 3f68 s VAL 31 N 0.42 2.66 -0.22 1.34 1.01 0.19 -4.16 120.40 121.64 3f68 s VAL 31 Ca 0.59 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3f68 s VAL 31 Cb -0.37 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3f68 s VAL 31 CO 0.36 0.47 0.09 -0.32 0.00 0.00 0.00 175.10 175.69 3f68 s MET 32 N -1.04 3.87 -0.40 2.72 1.75 -0.25 -1.70 119.30 124.25 3f68 s MET 32 Ca 0.12 -0.38 -0.24 0.00 -1.25 0.00 0.00 55.69 53.94 3f68 s MET 32 Cb -0.10 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.25 3f68 s MET 32 CO 0.02 0.04 0.85 -0.51 -0.65 0.00 0.00 175.02 174.78 3f68 s LEU 33 N 1.01 4.08 -0.10 4.11 1.43 0.04 -1.77 118.68 127.49 3f68 s LEU 33 Ca 0.05 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3f68 s LEU 33 Cb -0.14 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 3f68 s LEU 33 CO 0.03 -0.86 -0.19 0.12 0.23 0.00 0.00 176.35 175.68 3f68 s PHE 34 N 3.37 2.65 0.08 0.29 2.19 -0.74 0.17 117.98 125.99 3f68 s PHE 34 Ca 0.34 -0.75 -0.30 0.00 0.33 0.00 0.00 56.93 56.55 3f68 s PHE 34 Cb -0.12 -1.73 -0.05 0.00 -1.31 0.00 0.00 43.02 39.81 3f68 s PHE 34 CO 0.20 -0.25 1.02 0.50 1.83 0.00 0.00 175.22 178.52 3f68 s ARG 35 N 0.15 4.61 0.03 10.12 3.52 0.50 -2.85 118.95 135.03 3f68 s ARG 35 Ca -0.10 1.52 -0.30 0.00 -0.13 0.00 0.00 55.73 56.71 3f68 s ARG 35 Cb -0.16 -3.39 -0.17 0.00 -1.56 0.00 0.00 34.95 29.68 3f68 s ARG 35 CO 0.06 0.05 1.25 0.87 -0.81 0.00 0.00 175.30 176.72 3f68 h LYS 36 N 6.05 -1.04 -3.18 5.12 1.57 -1.80 -1.59 116.57 121.70 3f68 h LYS 36 Ca -0.42 0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.13 3f68 h LYS 36 Cb 1.21 0.24 -0.35 0.00 0.08 0.00 0.00 32.23 33.41 3f68 h LYS 36 CO 0.74 -0.69 -0.65 0.45 -0.57 0.00 0.00 179.45 178.72 3f68 s SER 36 N -4.32 0.62 0.16 0.86 0.15 -1.26 -2.65 113.70 107.27 3f68 s SER 36 Ca -0.16 0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 3f68 s SER 36 Cb 0.02 0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 64.42 3f68 s SER 36 CO 0.48 -0.22 1.00 -2.16 1.20 0.00 0.00 173.24 173.53 3f68 s PRO 37 N 2.00 4.70 -0.21 5.44 0.04 -1.26 -5.06 135.00 140.65 3f68 s PRO 37 Ca 0.00 1.54 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 3f68 s PRO 37 Cb -0.12 -3.32 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 3f68 s PRO 37 CO -0.05 0.24 2.00 1.04 0.04 0.00 0.00 177.00 180.28 3f68 n GLN 38 N 2.34 1.69 -3.51 4.56 6.02 -1.08 -4.68 117.38 122.72 3f68 n GLN 38 Ca 0.01 0.57 -0.08 0.00 -0.01 0.00 0.00 57.00 57.49 3f68 n GLN 38 Cb 0.48 -2.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.12 3f68 n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3f68 s GLU 39 N 4.96 0.77 0.11 -1.09 -1.05 -0.60 -4.91 118.70 116.88 3f68 s GLU 39 Ca 1.00 -0.26 -0.31 0.00 -0.15 0.00 0.00 54.97 55.24 3f68 s GLU 39 Cb -0.75 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.21 3f68 s GLU 39 CO 0.51 -0.33 1.62 -1.17 0.95 0.00 0.00 175.26 176.83 3f68 s LEU 40 N -2.39 4.37 -0.25 1.83 2.96 -1.26 0.19 118.68 124.13 3f68 s LEU 40 Ca 0.05 2.54 -0.04 0.00 -0.22 0.00 0.00 54.13 56.46 3f68 s LEU 40 Cb -0.01 -3.58 -0.14 0.00 0.50 0.00 0.00 46.19 42.97 3f68 s LEU 40 CO -0.08 -0.86 -0.25 0.18 -1.32 0.00 0.00 176.35 174.01 3f68 n LEU 41 N 4.93 2.55 -3.78 -0.68 4.77 0.46 -4.80 117.00 120.45 3f68 n LEU 41 Ca 0.15 0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.15 3f68 n LEU 41 Cb 0.40 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3f68 n LEU 41 CO 0.62 0.77 0.90 0.00 -1.33 0.00 0.00 177.39 178.35 3f68 s GLY 43 N -3.21 1.72 -0.00 0.00 0.00 0.11 -0.78 107.32 105.17 3f68 s GLY 43 Ca 0.18 -2.09 -0.23 0.00 0.00 0.00 0.00 44.72 42.58 3f68 s GLY 43 CO 0.01 -1.57 1.05 0.00 0.00 0.00 0.00 173.10 172.59 3f68 n ALA 44 N -2.45 -2.95 -3.03 3.20 0.00 -0.69 -3.63 120.51 110.96 3f68 n ALA 44 Ca 0.16 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 3f68 n ALA 44 Cb 0.61 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 20.13 3f68 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3f68 s SER 45 N -3.34 0.05 -0.22 0.00 1.04 0.13 -0.64 113.70 110.71 3f68 s SER 45 Ca 0.25 -0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.21 3f68 s SER 45 Cb -0.01 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 3f68 s SER 45 CO -0.00 -0.41 0.55 -0.22 0.98 0.00 0.00 173.24 174.14 3f68 s LEU 46 N -1.57 4.11 0.00 2.42 2.96 -0.28 -0.32 118.68 126.00 3f68 s LEU 46 Ca -0.12 0.66 0.06 0.00 -0.22 0.00 0.00 54.13 54.51 3f68 s LEU 46 Cb -0.06 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 3f68 s LEU 46 CO 0.00 -0.25 0.45 2.30 -1.32 0.00 0.00 176.35 177.54 3f68 n ILE 47 N 4.82 0.00 -2.86 6.68 -5.35 -0.16 -2.05 119.36 120.44 3f68 n ILE 47 Ca -0.04 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3f68 n ILE 47 Cb 0.50 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 3f68 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3f68 n SER 48 N -0.43 0.00 0.00 7.28 3.41 -1.18 -4.77 113.62 117.92 3f68 n SER 48 Ca 0.02 -0.67 0.14 0.00 -0.26 0.00 0.00 58.87 58.10 3f68 n SER 48 Cb 0.12 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.65 3f68 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3f68 n ASP 49 N -0.55 0.06 -0.06 4.04 5.68 -1.26 -3.77 116.55 120.69 3f68 n ASP 49 Ca 0.00 0.43 0.01 0.00 -0.50 0.00 0.00 54.79 54.73 3f68 n ASP 49 Cb 0.00 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 39.57 3f68 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f68 n ARG 50 N -1.51 1.52 -4.14 0.11 3.00 -1.26 -1.75 116.66 112.64 3f68 n ARG 50 Ca 0.07 -1.30 -0.19 0.00 -0.01 0.00 0.00 57.85 56.42 3f68 n ARG 50 Cb 0.34 -0.87 -0.16 0.00 0.00 0.00 0.00 32.46 31.77 3f68 n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3f68 s TRP 51 N -0.86 0.65 -0.05 -1.55 0.52 -1.25 -1.41 118.94 115.00 3f68 s TRP 51 Ca 0.05 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.07 3f68 s TRP 51 Cb 0.04 -0.58 -0.02 0.00 -1.15 0.00 0.00 33.47 31.76 3f68 s TRP 51 CO 0.00 -0.16 -0.24 0.08 0.02 0.00 0.00 176.95 176.66 3f68 s VAL 52 N 0.79 2.22 -0.10 4.03 1.01 -0.09 -0.99 120.40 127.27 3f68 s VAL 52 Ca -0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 3f68 s VAL 52 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3f68 s VAL 52 CO -0.00 0.57 -0.00 -0.22 0.00 0.00 0.00 175.10 175.45 3f68 s LEU 53 N -0.36 3.52 0.00 3.92 2.96 0.57 -0.87 118.68 128.42 3f68 s LEU 53 Ca 0.03 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3f68 s LEU 53 Cb -0.12 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3f68 s LEU 53 CO 0.02 0.33 0.37 1.07 -1.32 0.00 0.00 176.35 176.82 3f68 n THR 54 N 2.43 0.00 -3.13 3.68 5.66 -0.47 -0.70 114.28 121.76 3f68 n THR 54 Ca -0.18 -0.88 -0.39 0.00 -3.05 0.00 0.00 64.05 59.55 3f68 n THR 54 Cb 0.53 0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 69.89 3f68 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f68 s ALA 55 N -2.03 3.51 0.32 1.79 0.00 -1.26 -0.86 121.76 123.23 3f68 s ALA 55 Ca 0.14 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3f68 s ALA 55 Cb -0.02 -2.80 0.55 0.00 0.00 0.00 0.00 23.12 20.85 3f68 s ALA 55 CO 0.10 0.31 1.96 0.00 0.00 0.00 0.00 175.76 178.14 3f68 h ALA 56 N 4.61 1.50 0.00 0.00 0.00 -1.69 -2.03 119.26 121.66 3f68 h ALA 56 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3f68 h ALA 56 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3f68 h ALA 56 CO 0.65 0.42 0.00 1.12 0.00 0.00 0.00 179.25 181.45 3f68 h HIS 57 N 0.99 0.00 0.00 0.00 2.07 -1.89 0.00 115.15 116.33 3f68 h HIS 57 Ca 0.31 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.77 3f68 h HIS 57 Cb 0.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.98 3f68 h HIS 57 CO -0.00 0.00 -0.27 0.00 -3.07 0.00 0.00 177.93 174.59 3f68 n LEU 59 N -3.64 2.84 -3.88 0.00 4.77 -0.64 -4.87 117.00 111.59 3f68 n LEU 59 Ca -0.01 -0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 3f68 n LEU 59 Cb 0.39 -0.69 -0.16 0.00 -2.33 0.00 0.00 43.42 40.63 3f68 n LEU 59 CO 0.34 0.80 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.58 3f68 s LEU 60 N -6.26 2.04 0.16 2.23 2.96 -0.11 -0.61 118.68 119.09 3f68 s LEU 60 Ca -0.27 -1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 52.51 3f68 s LEU 60 Cb 0.07 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.79 3f68 s LEU 60 CO 0.45 -0.25 0.37 -0.47 -1.32 0.00 0.00 176.35 175.13 3f68 s TYR 60 N 1.56 0.09 0.00 5.38 5.04 0.26 -4.20 117.35 125.48 3f68 s TYR 60 Ca -0.03 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3f68 s TYR 60 Cb -0.18 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.27 3f68 s TYR 60 CO -0.07 -0.75 0.00 -2.30 -1.34 0.00 0.00 175.55 171.09 3f68 n PRO 60 N -0.23 0.00 -0.06 4.97 -0.02 -1.26 -2.35 135.00 136.04 3f68 n PRO 60 Ca -0.11 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.41 3f68 n PRO 60 Cb 0.63 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.18 3f68 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3f68 n TRP 60 N 0.00 0.09 -3.86 6.00 8.01 -1.26 -4.95 117.44 121.47 3f68 n TRP 60 Ca 0.00 -0.69 -0.24 0.00 -1.31 0.00 0.00 57.50 55.26 3f68 n TRP 60 Cb 0.00 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.31 29.20 3f68 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3f68 n ASP 60 N -0.75 -0.77 -4.32 -0.99 8.00 -1.19 -4.95 116.55 111.59 3f68 n ASP 60 Ca 0.08 -0.94 -0.36 0.00 0.71 0.00 0.00 54.79 54.27 3f68 n ASP 60 Cb 0.43 -3.41 -0.13 0.00 -0.02 0.00 0.00 41.12 37.99 3f68 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3f68 s LYS 60 N -6.33 3.23 -0.30 -1.24 2.20 -0.99 -5.00 119.74 111.30 3f68 s LYS 60 Ca 0.02 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3f68 s LYS 60 Cb -0.01 -3.16 0.15 0.00 -1.51 0.00 0.00 37.83 33.30 3f68 s LYS 60 CO 0.86 -0.31 0.37 1.21 -0.36 0.00 0.00 175.35 177.12 3f68 s ASN 60 N 1.48 0.91 0.13 1.43 3.04 -1.22 0.91 114.94 121.62 3f68 s ASN 60 Ca 0.04 -0.65 -0.04 0.00 0.04 0.00 0.00 52.86 52.25 3f68 s ASN 60 Cb -0.16 0.84 -0.05 0.00 -1.54 0.00 0.00 41.25 40.34 3f68 s ASN 60 CO -0.01 -0.36 0.35 -0.36 -3.04 0.00 0.00 177.10 173.68 3f68 s PHE 60 N 2.35 3.48 0.25 0.43 0.08 0.22 -5.02 117.98 119.78 3f68 s PHE 60 Ca 0.10 0.49 0.09 0.00 0.12 0.00 0.00 56.93 57.73 3f68 s PHE 60 Cb -0.13 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 3f68 s PHE 60 CO -0.28 0.46 0.06 -0.08 -0.10 0.00 0.00 175.22 175.28 3f68 s THR 60 N -1.64 3.81 0.12 0.64 -1.32 -1.26 -4.92 115.64 111.06 3f68 s THR 60 Ca 0.40 -1.71 -0.11 0.00 -1.21 0.00 0.00 61.69 59.07 3f68 s THR 60 Cb -0.12 -3.04 0.10 0.00 -1.51 0.00 0.00 72.50 67.93 3f68 s THR 60 CO 0.25 -0.35 0.82 -0.62 -2.21 0.00 0.00 174.62 172.52 3f68 n GLU 61 N -0.94 -0.14 0.00 7.08 4.71 -1.26 0.52 120.64 130.60 3f68 n GLU 61 Ca -0.07 0.82 0.11 0.00 -0.01 0.00 0.00 57.16 58.00 3f68 n GLU 61 Cb 0.58 -1.21 0.49 0.00 -1.01 0.00 0.00 31.44 30.29 3f68 n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3f68 n ASN 62 N -4.76 0.00 0.00 1.62 3.02 -1.26 -1.14 115.26 112.74 3f68 n ASN 62 Ca 0.05 0.38 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 3f68 n ASN 62 Cb 0.20 -0.45 0.50 0.00 -0.61 0.00 0.00 39.78 39.42 3f68 n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3f68 n ASP 63 N -1.45 0.00 -4.35 6.41 8.00 0.18 -4.91 116.55 120.44 3f68 n ASP 63 Ca 0.06 0.46 -0.19 0.00 0.71 0.00 0.00 54.79 55.84 3f68 n ASP 63 Cb 0.24 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 3f68 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3f68 s LEU 64 N -2.97 2.56 0.04 0.64 1.43 -0.29 -2.51 118.68 117.58 3f68 s LEU 64 Ca 0.12 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 3f68 s LEU 64 Cb 0.15 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 3f68 s LEU 64 CO 0.42 -0.17 -0.08 -0.76 0.23 0.00 0.00 176.35 175.99 3f68 s LEU 65 N -3.31 2.25 -0.24 1.79 1.43 -1.13 -4.42 118.68 115.04 3f68 s LEU 65 Ca 0.22 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 3f68 s LEU 65 Cb -0.01 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 3f68 s LEU 65 CO 0.07 -0.20 0.13 -0.69 0.23 0.00 0.00 176.35 175.88 3f68 s VAL 66 N -1.36 5.03 -0.28 -1.59 1.01 0.14 -1.79 120.40 121.56 3f68 s VAL 66 Ca -0.10 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 3f68 s VAL 66 Cb -0.10 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3f68 s VAL 66 CO 0.00 0.35 0.04 -0.13 0.00 0.00 0.00 175.10 175.36 3f68 s ARG 67 N 1.17 3.09 0.15 2.72 0.52 -0.73 0.64 118.95 126.50 3f68 s ARG 67 Ca 0.06 -0.85 0.09 0.00 -0.52 0.00 0.00 55.73 54.51 3f68 s ARG 67 Cb -0.14 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3f68 s ARG 67 CO 0.05 -0.40 -0.13 0.42 0.02 0.00 0.00 175.30 175.25 3f68 s ILE 68 N 1.47 3.05 0.00 1.52 1.01 0.52 -1.09 121.20 127.68 3f68 s ILE 68 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.11 3f68 s ILE 68 Cb -0.17 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.84 3f68 s ILE 68 CO 0.01 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 3f68 n GLY 69 N 0.42 0.56 3.92 6.18 0.00 -1.26 -1.22 105.19 113.79 3f68 n GLY 69 Ca -0.13 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 3f68 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f68 s LYS 70 N -0.46 3.32 0.00 1.61 1.02 -1.26 -4.40 119.74 119.58 3f68 s LYS 70 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.04 3f68 s LYS 70 Cb 0.00 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3f68 s LYS 70 CO 0.00 -0.33 0.00 1.58 -0.92 0.00 0.00 175.35 175.68 3f68 n HIS 71 N -2.31 0.00 -2.55 3.18 -0.00 -1.26 -4.93 115.22 107.35 3f68 n HIS 71 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.35 3f68 n HIS 71 Cb 0.56 0.34 -0.05 0.00 -0.00 0.00 0.00 29.99 30.85 3f68 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3f68 s SER 72 N -4.77 7.15 -0.05 0.26 0.15 -1.26 0.02 113.70 115.20 3f68 s SER 72 Ca 0.00 2.12 -0.24 0.00 0.70 0.00 0.00 55.95 58.53 3f68 s SER 72 Cb 0.00 -2.61 -0.19 0.00 -1.71 0.00 0.00 66.02 61.51 3f68 s SER 72 CO 0.00 -0.21 1.02 -0.09 1.20 0.00 0.00 173.24 175.16 3f68 h ARG 73 N 3.38 -0.09 0.04 5.44 2.43 -1.64 -3.40 114.38 120.55 3f68 h ARG 73 Ca -0.47 0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.38 3f68 h ARG 73 Cb 1.21 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 3f68 h ARG 73 CO 0.65 0.47 -1.88 0.25 -1.51 0.00 0.00 179.97 177.94 3f68 n THR 74 N -4.84 1.65 -2.10 0.20 -2.24 -1.26 -4.97 114.28 100.72 3f68 n THR 74 Ca -0.08 -0.74 -0.34 0.00 -2.27 0.00 0.00 64.05 60.61 3f68 n THR 74 Cb 0.30 -1.26 0.02 0.00 -2.10 0.00 0.00 70.33 67.28 3f68 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3f68 s ARG 75 N -2.57 3.18 -0.41 -0.78 3.00 -1.26 -5.00 118.95 115.11 3f68 s ARG 75 Ca -0.12 1.53 -0.18 0.00 0.00 0.00 0.00 55.73 56.95 3f68 s ARG 75 Cb 0.07 -1.99 0.02 0.00 0.00 0.00 0.00 34.95 33.05 3f68 s ARG 75 CO 0.80 -0.97 0.49 -0.47 0.00 0.00 0.00 175.30 175.15 3f68 s TYR 76 N -1.97 3.15 -1.25 -0.53 5.04 -1.26 -4.88 117.35 115.65 3f68 s TYR 76 Ca 0.71 -0.19 -0.12 0.00 -2.44 0.00 0.00 57.07 55.03 3f68 s TYR 76 Cb -0.22 -3.00 0.16 0.00 0.35 0.00 0.00 41.96 39.25 3f68 s TYR 76 CO 0.32 -0.70 1.63 0.39 -1.34 0.00 0.00 175.55 175.85 3f68 n GLU 77 N 5.77 3.44 -1.55 4.97 1.02 -1.26 -4.96 120.64 128.07 3f68 n GLU 77 Ca -0.06 -3.68 -0.49 0.00 -0.02 0.00 0.00 57.16 52.92 3f68 n GLU 77 Cb 0.48 -3.03 -0.04 0.00 -0.02 0.00 0.00 31.44 28.83 3f68 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3f68 n ARG 77 N 5.13 0.97 -0.57 3.49 0.63 -1.26 0.07 116.66 125.11 3f68 n ARG 77 Ca 0.39 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 3f68 n ARG 77 Cb 0.40 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.55 3f68 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3f68 n ASN 78 N 1.86 0.00 0.03 6.15 4.13 -1.26 -4.69 115.26 121.48 3f68 n ASN 78 Ca 0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.41 3f68 n ASN 78 Cb 0.24 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 3f68 n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3f68 n ILE 79 N -2.00 0.66 -1.58 2.41 5.41 0.22 -5.06 119.36 119.40 3f68 n ILE 79 Ca 0.00 0.22 -0.32 0.00 1.00 0.00 0.00 62.75 63.65 3f68 n ILE 79 Cb 0.00 -1.29 0.06 0.00 -0.71 0.00 0.00 39.64 37.69 3f68 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3f68 s GLU 80 N -1.54 2.79 -0.00 0.38 -1.05 0.11 -4.80 118.70 114.58 3f68 s GLU 80 Ca 0.00 1.12 0.08 0.00 -0.15 0.00 0.00 54.97 56.01 3f68 s GLU 80 Cb 0.00 -1.96 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 3f68 s GLU 80 CO 0.00 -1.23 -0.24 0.15 0.95 0.00 0.00 175.26 174.89 3f68 s LYS 81 N -4.71 1.84 -0.10 -4.83 -0.14 -0.36 -4.86 119.74 106.58 3f68 s LYS 81 Ca 0.61 -0.90 0.02 0.00 -1.36 0.00 0.00 55.97 54.34 3f68 s LYS 81 Cb -0.16 -1.84 -0.02 0.00 -1.68 0.00 0.00 37.83 34.13 3f68 s LYS 81 CO 0.50 0.50 -0.16 0.42 -0.76 0.00 0.00 175.35 175.85 3f68 s ILE 82 N -0.63 2.81 0.06 2.17 1.01 -1.26 -0.36 121.20 125.00 3f68 s ILE 82 Ca 0.09 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3f68 s ILE 82 Cb -0.09 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3f68 s ILE 82 CO -0.00 0.55 -0.13 -0.44 0.00 0.00 0.00 174.94 174.92 3f68 s SER 83 N 0.02 1.49 0.10 3.58 0.01 0.21 -4.96 113.70 114.14 3f68 s SER 83 Ca -0.05 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.68 3f68 s SER 83 Cb -0.15 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 3f68 s SER 83 CO 0.05 -0.07 0.19 -0.04 0.41 0.00 0.00 173.24 173.78 3f68 s MET 84 N -1.50 3.24 -0.10 12.44 -1.94 -1.26 -0.68 119.30 129.50 3f68 s MET 84 Ca -0.02 -0.59 -0.19 0.00 -1.71 0.00 0.00 55.69 53.17 3f68 s MET 84 Cb -0.09 -2.90 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 3f68 s MET 84 CO 0.02 0.56 0.51 -0.51 -0.01 0.00 0.00 175.02 175.59 3f68 s LEU 85 N -2.74 4.30 0.06 -0.03 2.01 -1.26 -1.32 118.68 119.70 3f68 s LEU 85 Ca 0.33 0.90 0.14 0.00 0.01 0.00 0.00 54.13 55.51 3f68 s LEU 85 Cb -0.12 -2.76 -0.15 0.00 0.01 0.00 0.00 46.19 43.17 3f68 s LEU 85 CO 0.26 0.01 0.90 -0.08 1.01 0.00 0.00 176.35 178.45 3f68 h GLU 86 N 6.54 0.00 -0.72 1.70 4.81 -1.22 -3.44 114.58 122.25 3f68 h GLU 86 Ca -0.42 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.04 3f68 h GLU 86 Cb 1.18 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.25 3f68 h GLU 86 CO 0.74 0.45 0.71 0.15 -0.73 0.00 0.00 179.01 180.34 3f68 s LYS 87 N -2.81 0.02 -0.12 1.92 1.02 -1.11 -4.99 119.74 113.68 3f68 s LYS 87 Ca -0.02 0.04 -0.18 0.00 0.02 0.00 0.00 55.97 55.82 3f68 s LYS 87 Cb 0.08 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 3f68 s LYS 87 CO 0.81 -0.00 0.48 0.42 -0.92 0.00 0.00 175.35 176.13 3f68 s ILE 88 N 1.33 5.19 -0.17 2.17 1.01 -1.26 -1.07 121.20 128.40 3f68 s ILE 88 Ca -0.05 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3f68 s ILE 88 Cb -0.02 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.65 3f68 s ILE 88 CO -0.11 0.33 -0.16 -0.31 0.00 0.00 0.00 174.94 174.68 3f68 s TYR 89 N 0.62 2.79 -0.06 3.97 1.51 0.39 -5.02 117.35 121.56 3f68 s TYR 89 Ca 0.26 -1.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.03 3f68 s TYR 89 Cb -0.15 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 3f68 s TYR 89 CO 0.10 -0.64 -0.07 0.42 -1.11 0.00 0.00 175.55 174.25 3f68 s ILE 90 N 1.10 3.64 0.03 2.71 1.01 -1.26 -0.79 121.20 127.64 3f68 s ILE 90 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 60.65 59.73 3f68 s ILE 90 Cb -0.14 -2.50 -0.17 0.00 0.01 0.00 0.00 42.46 39.66 3f68 s ILE 90 CO -0.06 0.57 1.40 1.57 0.00 0.00 0.00 174.94 178.42 3f68 n HIS 91 N 2.13 1.59 0.24 3.97 -0.00 -1.16 -4.85 115.22 117.14 3f68 n HIS 91 Ca -0.17 0.62 0.11 0.00 -0.00 0.00 0.00 57.72 58.28 3f68 n HIS 91 Cb 0.53 -2.35 0.53 0.00 -0.00 0.00 0.00 29.99 28.69 3f68 n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3f68 n PRO 92 N 2.94 0.15 -0.51 1.57 -0.04 -1.26 -2.32 135.00 135.53 3f68 n PRO 92 Ca 0.20 0.55 0.07 0.00 -0.04 0.00 0.00 63.50 64.27 3f68 n PRO 92 Cb 0.18 -1.90 0.18 0.00 -0.04 0.00 0.00 33.50 31.92 3f68 n PRO 92 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3f68 n ARG 93 N -2.21 1.42 -1.79 0.54 1.74 -1.26 -5.00 116.66 110.11 3f68 n ARG 93 Ca -0.00 -3.04 -0.42 0.00 -0.77 0.00 0.00 57.85 53.61 3f68 n ARG 93 Cb 0.10 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3f68 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3f68 s TYR 94 N -2.96 1.51 -1.20 -1.55 5.04 -0.98 -4.70 117.35 112.50 3f68 s TYR 94 Ca 0.36 -0.08 -0.12 0.00 -2.44 0.00 0.00 57.07 54.79 3f68 s TYR 94 Cb 0.34 -4.10 0.20 0.00 0.35 0.00 0.00 41.96 38.75 3f68 s TYR 94 CO -0.05 -4.73 1.48 -1.71 -1.34 0.00 0.00 175.55 169.20 3f68 n ASN 95 N 8.05 5.31 0.11 4.32 2.85 -0.50 -4.79 115.26 130.61 3f68 n ASN 95 Ca 0.20 -3.04 0.13 0.00 -0.11 0.00 0.00 54.58 51.76 3f68 n ASN 95 Cb 0.42 -1.51 0.45 0.00 1.24 0.00 0.00 39.78 40.38 3f68 n ASN 95 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 3f68 n TRP 96 N 4.60 0.82 -0.05 1.20 4.27 -1.26 0.14 117.44 127.16 3f68 n TRP 96 Ca 0.35 0.27 -0.13 0.00 -3.89 0.00 0.00 57.50 54.09 3f68 n TRP 96 Cb 0.40 -0.94 -0.08 0.00 -1.36 0.00 0.00 31.31 29.34 3f68 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3f68 h ARG 97 N 0.00 0.33 0.00 -2.67 3.08 -1.99 -3.43 114.38 109.70 3f68 h ARG 97 Ca 0.00 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 3f68 h ARG 97 Cb 0.58 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3f68 h ARG 97 CO 0.00 0.76 -1.32 -1.91 -1.07 0.00 0.00 179.97 176.43 3f68 n GLU 97 N -4.55 0.33 -0.05 0.04 2.13 -1.25 -4.97 120.64 112.34 3f68 n GLU 97 Ca -0.07 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3f68 n GLU 97 Cb 0.38 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.02 3f68 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3f68 n ASN 98 N -3.89 0.00 -0.92 4.31 0.23 -1.21 -4.95 115.26 108.83 3f68 n ASN 98 Ca -0.22 -1.08 -0.10 0.00 -0.53 0.00 0.00 54.58 52.65 3f68 n ASN 98 Cb 0.54 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 3f68 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3f68 n LEU 99 N 0.00 -0.99 -4.65 -4.53 4.32 0.12 -4.98 117.00 106.29 3f68 n LEU 99 Ca 0.00 0.17 -0.45 0.00 -0.02 0.00 0.00 56.01 55.71 3f68 n LEU 99 Cb 0.52 -1.68 -0.02 0.00 -1.62 0.00 0.00 43.42 40.61 3f68 n LEU 99 CO 0.00 -0.40 0.83 -0.67 -1.22 0.00 0.00 177.39 175.93 3f68 n ASP 100 N 0.23 2.21 -3.46 -1.43 2.03 -1.24 -2.50 116.55 112.39 3f68 n ASP 100 Ca -0.11 1.17 -0.18 0.00 0.52 0.00 0.00 54.79 56.20 3f68 n ASP 100 Cb 0.42 -1.38 0.08 0.00 -0.72 0.00 0.00 41.12 39.52 3f68 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3f68 n ARG 101 N 1.22 -6.32 -2.65 -0.67 1.74 -1.26 -1.41 116.66 107.31 3f68 n ARG 101 Ca 0.09 0.82 -0.43 0.00 -0.77 0.00 0.00 57.85 57.57 3f68 n ARG 101 Cb 0.32 -5.78 -0.01 0.00 -1.02 0.00 0.00 32.46 25.98 3f68 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3f68 s ASP 102 N -4.34 6.82 -0.11 0.55 2.15 -1.04 -4.36 116.67 116.34 3f68 s ASP 102 Ca 0.01 -2.39 -0.16 0.00 0.43 0.00 0.00 52.55 50.44 3f68 s ASP 102 Cb -0.00 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 3f68 s ASP 102 CO 0.74 -1.14 0.42 -0.51 -0.17 0.00 0.00 175.17 174.50 3f68 s ILE 103 N 3.85 0.02 -0.03 4.11 2.07 -1.26 -3.74 121.20 126.21 3f68 s ILE 103 Ca 0.50 -0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.49 3f68 s ILE 103 Cb 0.02 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 42.00 3f68 s ILE 103 CO 0.04 -0.07 0.28 0.00 -1.91 0.00 0.00 174.94 173.27 3f68 s ALA 104 N -0.30 -0.69 0.03 1.50 0.00 -0.04 -2.99 121.76 119.27 3f68 s ALA 104 Ca -0.04 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3f68 s ALA 104 Cb -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3f68 s ALA 104 CO 0.02 -0.22 0.06 -0.51 0.00 0.00 0.00 175.76 175.11 3f68 s LEU 105 N -0.98 3.77 -0.18 0.00 1.43 0.03 -1.37 118.68 121.38 3f68 s LEU 105 Ca -0.11 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3f68 s LEU 105 Cb -0.05 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.90 3f68 s LEU 105 CO 0.03 0.23 -0.15 -0.04 0.23 0.00 0.00 176.35 176.65 3f68 s MET 106 N -1.98 2.43 -0.00 1.70 -1.94 -0.05 -0.46 119.30 119.00 3f68 s MET 106 Ca 0.25 -0.80 -0.21 0.00 -1.71 0.00 0.00 55.69 53.22 3f68 s MET 106 Cb -0.12 -2.41 -0.05 0.00 2.01 0.00 0.00 34.83 34.26 3f68 s MET 106 CO 0.16 -0.31 0.62 0.21 -0.01 0.00 0.00 175.02 175.69 3f68 s LYS 107 N 1.36 4.34 0.16 2.03 2.20 -0.23 -0.91 119.74 128.70 3f68 s LYS 107 Ca 0.02 0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 56.30 3f68 s LYS 107 Cb -0.14 -3.35 -0.07 0.00 -1.51 0.00 0.00 37.83 32.76 3f68 s LYS 107 CO -0.10 0.34 0.50 -0.51 -0.36 0.00 0.00 175.35 175.21 3f68 s LEU 108 N -0.10 4.27 0.11 5.43 1.43 -0.50 -0.83 118.68 128.48 3f68 s LEU 108 Ca 0.32 0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 54.08 3f68 s LEU 108 Cb -0.18 -3.37 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 3f68 s LEU 108 CO 0.18 0.04 1.69 0.11 0.23 0.00 0.00 176.35 178.60 3f68 h LYS 109 N 3.11 -0.21 -5.86 1.70 1.57 -1.49 -3.42 116.57 111.98 3f68 h LYS 109 Ca -0.48 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 57.81 3f68 h LYS 109 Cb 1.18 0.05 -0.19 0.00 0.08 0.00 0.00 32.23 33.35 3f68 h LYS 109 CO 0.68 -0.14 -0.78 0.15 -0.57 0.00 0.00 179.45 178.79 3f68 s LYS 110 N -6.15 1.20 0.35 3.15 1.02 -1.26 -4.97 119.74 113.07 3f68 s LYS 110 Ca -0.14 -1.33 -0.28 0.00 0.02 0.00 0.00 55.97 54.23 3f68 s LYS 110 Cb 0.08 -1.25 -0.11 0.00 -0.52 0.00 0.00 37.83 36.03 3f68 s LYS 110 CO 0.66 0.26 1.39 -1.25 -0.92 0.00 0.00 175.35 175.49 3f68 s PRO 111 N -2.63 4.24 0.41 -1.68 0.04 -1.26 -4.88 135.00 129.24 3f68 s PRO 111 Ca 0.13 2.38 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 3f68 s PRO 111 Cb -0.06 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.37 3f68 s PRO 111 CO 0.05 -0.34 0.83 0.54 0.04 0.00 0.00 177.00 178.12 3f68 s VAL 112 N -1.12 4.64 -0.10 -0.36 0.11 -0.71 -5.03 120.40 117.82 3f68 s VAL 112 Ca 0.51 0.99 -0.17 0.00 -2.93 0.00 0.00 61.98 60.37 3f68 s VAL 112 Cb -0.43 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.71 3f68 s VAL 112 CO 0.57 -0.42 0.45 0.00 -3.33 0.00 0.00 175.10 172.38 3f68 s ALA 113 N -2.27 3.52 0.62 1.54 0.00 -1.26 -4.89 121.76 119.02 3f68 s ALA 113 Ca 0.56 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 3f68 s ALA 113 Cb -0.10 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 3f68 s ALA 113 CO 0.24 0.10 1.08 -0.06 0.00 0.00 0.00 175.76 177.12 3f68 s PHE 114 N 0.27 2.84 0.19 0.00 0.08 -1.26 -4.86 117.98 115.24 3f68 s PHE 114 Ca 0.25 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.71 3f68 s PHE 114 Cb -0.15 -3.07 0.04 0.00 -0.57 0.00 0.00 43.02 39.26 3f68 s PHE 114 CO 0.10 -1.35 0.56 -1.13 -0.10 0.00 0.00 175.22 173.31 3f68 n SER 115 N -2.19 -1.28 0.21 1.36 3.41 -0.78 -4.95 113.62 109.40 3f68 n SER 115 Ca 0.09 -1.81 0.15 0.00 -0.26 0.00 0.00 58.87 57.05 3f68 n SER 115 Cb 0.52 2.12 0.74 0.00 -0.26 0.00 0.00 64.21 67.33 3f68 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3f68 h ASP 116 N 1.23 0.00 -0.00 4.04 3.32 -2.00 -3.04 116.42 119.97 3f68 h ASP 116 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3f68 h ASP 116 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3f68 h ASP 116 CO 0.25 0.00 -0.20 -1.22 -1.72 0.00 0.00 179.24 176.35 3f68 n TYR 117 N -2.55 0.00 -3.83 4.55 4.01 -1.26 -4.72 117.16 113.35 3f68 n TYR 117 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 3f68 n TYR 117 Cb 0.12 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.98 3f68 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3f68 s ILE 118 N -1.28 0.81 -0.24 -0.72 1.01 -1.15 -4.00 121.20 115.63 3f68 s ILE 118 Ca 0.04 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.03 3f68 s ILE 118 Cb 0.05 -1.03 0.10 0.00 0.01 0.00 0.00 42.46 41.59 3f68 s ILE 118 CO 0.20 0.11 0.89 -2.28 0.00 0.00 0.00 174.94 173.87 3f68 s HIS 119 N 1.77 -0.58 0.38 3.97 2.46 -0.32 -1.87 115.29 121.10 3f68 s HIS 119 Ca 0.02 1.35 -0.21 0.00 0.47 0.00 0.00 55.06 56.69 3f68 s HIS 119 Cb -0.15 0.35 -0.10 0.00 -0.13 0.00 0.00 32.58 32.55 3f68 s HIS 119 CO -0.07 -0.33 0.89 -1.25 -2.47 0.00 0.00 174.74 171.52 3f68 s PRO 120 N 0.00 4.24 0.46 2.88 0.04 -1.26 -2.26 135.00 139.11 3f68 s PRO 120 Ca 0.00 1.05 -0.06 0.00 0.04 0.00 0.00 61.00 62.03 3f68 s PRO 120 Cb -0.04 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3f68 s PRO 120 CO -0.01 0.08 0.77 0.54 0.04 0.00 0.00 177.00 178.42 3f68 s VAL 121 N -2.02 4.90 0.45 -0.36 0.11 -0.87 -4.92 120.40 117.70 3f68 s VAL 121 Ca 0.58 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.77 3f68 s VAL 121 Cb -0.11 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 30.84 3f68 s VAL 121 CO 0.16 -0.79 0.81 0.00 -3.33 0.00 0.00 175.10 171.96 3f68 s LEU 123 N -4.17 3.79 0.46 0.00 1.43 -1.26 -0.40 118.68 118.53 3f68 s LEU 123 Ca 0.51 0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 53.57 3f68 s LEU 123 Cb -0.10 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 3f68 s LEU 123 CO 0.36 0.32 1.12 -2.16 0.23 0.00 0.00 176.35 176.23 3f68 s PRO 124 N -0.55 3.78 0.56 1.29 0.04 -1.26 -4.94 135.00 133.92 3f68 s PRO 124 Ca 0.10 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 3f68 s PRO 124 Cb -0.12 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 3f68 s PRO 124 CO 0.02 -0.50 0.88 0.16 0.04 0.00 0.00 177.00 177.60 3f68 s ASP 125 N -1.55 5.89 0.43 6.66 1.47 -1.26 -4.87 116.67 123.45 3f68 s ASP 125 Ca 0.64 0.88 0.14 0.00 1.18 0.00 0.00 52.55 55.40 3f68 s ASP 125 Cb -0.25 -1.99 1.03 0.00 -0.34 0.00 0.00 42.92 41.37 3f68 s ASP 125 CO 0.30 -0.88 1.97 -0.09 0.68 0.00 0.00 175.17 177.15 3f68 h ARG 126 N -0.07 0.40 -0.01 2.11 2.43 -1.97 -2.88 114.38 114.38 3f68 h ARG 126 Ca -0.46 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.46 3f68 h ARG 126 Cb 1.23 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3f68 h ARG 126 CO 0.61 0.27 -0.89 0.93 -1.51 0.00 0.00 179.97 179.38 3f68 h GLU 127 N 0.41 0.63 -1.15 0.20 3.07 -2.04 -0.70 114.58 115.01 3f68 h GLU 127 Ca 0.29 -0.66 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3f68 h GLU 127 Cb 0.59 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3f68 h GLU 127 CO -0.08 1.26 0.00 2.41 -1.40 0.00 0.00 179.01 181.19 3f68 n THR 128 N -3.97 0.01 0.00 1.13 -1.04 -1.09 -1.02 114.28 108.30 3f68 n THR 128 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3f68 n THR 128 Cb 0.81 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 3f68 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3f68 n ALA 129 N 0.78 0.00 0.06 2.41 0.00 -0.27 -0.55 120.51 122.94 3f68 n ALA 129 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3f68 n ALA 129 Cb 0.01 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.57 3f68 n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3f68 h SER 129 N 0.00 0.40 0.00 0.00 0.87 -1.33 -3.37 113.55 110.12 3f68 h SER 129 Ca 0.00 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.22 3f68 h SER 129 Cb 0.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3f68 h SER 129 CO 0.00 0.88 -2.01 0.18 -0.53 0.00 0.00 176.83 175.34 3f68 n LEU 129 N -3.92 0.00 -4.09 2.23 4.77 0.29 -4.65 117.00 111.63 3f68 n LEU 129 Ca -0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 3f68 n LEU 129 Cb 0.59 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3f68 n LEU 129 CO 0.45 0.17 2.37 0.18 -1.33 0.00 0.00 177.39 179.23 3f68 n LEU 130 N -2.36 6.07 -4.16 2.23 4.77 -1.26 -4.82 117.00 117.47 3f68 n LEU 130 Ca -0.13 -4.07 -0.21 0.00 -0.03 0.00 0.00 56.01 51.56 3f68 n LEU 130 Cb 0.72 -1.69 -0.14 0.00 -2.33 0.00 0.00 43.42 39.98 3f68 n LEU 130 CO 0.40 0.73 -0.48 -1.10 -1.33 0.00 0.00 177.39 175.60 3f68 s GLN 131 N 3.52 1.06 0.25 3.23 -0.21 -1.26 -4.99 119.66 121.27 3f68 s GLN 131 Ca 0.50 -0.77 -0.31 0.00 0.02 0.00 0.00 55.36 54.80 3f68 s GLN 131 Cb 0.10 -1.08 -0.13 0.00 1.00 0.00 0.00 33.01 32.89 3f68 s GLN 131 CO -0.02 0.27 1.49 0.00 -2.12 0.00 0.00 175.29 174.91 3f68 n ALA 132 N 1.98 1.67 0.00 6.09 0.00 -1.26 -1.07 120.51 127.92 3f68 n ALA 132 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3f68 n ALA 132 Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3f68 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f68 n GLY 133 N 2.27 2.86 3.76 0.00 0.00 0.12 -4.96 105.19 109.25 3f68 n GLY 133 Ca 0.11 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3f68 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f68 s TYR 134 N -2.05 3.11 0.10 1.61 1.51 -0.23 -4.65 117.35 116.75 3f68 s TYR 134 Ca 0.00 1.37 -0.06 0.00 -1.01 0.00 0.00 57.07 57.37 3f68 s TYR 134 Cb 0.00 -3.66 -0.05 0.00 -0.11 0.00 0.00 41.96 38.14 3f68 s TYR 134 CO 0.00 -1.86 0.35 0.15 -1.11 0.00 0.00 175.55 173.08 3f68 s LYS 135 N -1.39 3.62 0.49 -0.62 1.02 -1.26 -1.35 119.74 120.24 3f68 s LYS 135 Ca 0.51 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.44 3f68 s LYS 135 Cb -0.39 -2.93 -0.00 0.00 -0.52 0.00 0.00 37.83 33.98 3f68 s LYS 135 CO 0.49 0.53 0.03 0.41 -0.92 0.00 0.00 175.35 175.89 3f68 n GLY 136 N 0.45 3.51 3.14 -3.33 0.00 0.18 -4.85 105.19 104.30 3f68 n GLY 136 Ca -0.05 -2.33 -0.28 0.00 0.00 0.00 0.00 46.02 43.36 3f68 n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3f68 s ARG 137 N -3.77 2.17 0.07 1.61 3.52 -0.13 -0.21 118.95 122.23 3f68 s ARG 137 Ca 0.04 -0.66 0.09 0.00 -0.13 0.00 0.00 55.73 55.07 3f68 s ARG 137 Cb 0.00 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 3f68 s ARG 137 CO 0.03 0.19 -0.25 0.54 -0.81 0.00 0.00 175.30 174.99 3f68 s VAL 138 N 0.25 2.07 0.05 7.11 0.11 0.16 -1.17 120.40 128.99 3f68 s VAL 138 Ca -0.10 -1.47 0.04 0.00 -2.93 0.00 0.00 61.98 57.52 3f68 s VAL 138 Cb -0.15 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 32.88 3f68 s VAL 138 CO 0.04 0.25 -0.12 0.42 -3.33 0.00 0.00 175.10 172.36 3f68 s THR 139 N -0.89 0.92 0.00 5.04 -4.23 -1.24 -1.96 115.64 113.27 3f68 s THR 139 Ca 0.11 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3f68 s THR 139 Cb -0.10 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.85 3f68 s THR 139 CO 0.03 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3f68 n GLY 140 N 1.54 0.14 1.57 3.99 0.00 -0.60 -4.58 105.19 107.24 3f68 n GLY 140 Ca -0.21 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 3f68 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3f68 n TRP 141 N -0.24 1.83 -2.14 1.61 8.01 -1.26 -2.24 117.44 123.00 3f68 n TRP 141 Ca 0.00 -1.73 -0.11 0.00 -1.31 0.00 0.00 57.50 54.35 3f68 n TRP 141 Cb 0.00 -0.67 0.06 0.00 -2.01 0.00 0.00 31.31 28.70 3f68 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3f68 n GLY 142 N -1.13 0.17 3.60 6.99 0.00 -1.26 -4.65 105.19 108.91 3f68 n GLY 142 Ca 0.43 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 3f68 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f68 n ASN 143 N -3.07 0.83 0.04 1.61 3.02 -0.02 -2.89 115.26 114.78 3f68 n ASN 143 Ca 0.08 0.89 0.13 0.00 -0.03 0.00 0.00 54.58 55.65 3f68 n ASN 143 Cb 0.27 -1.36 0.49 0.00 -0.61 0.00 0.00 39.78 38.57 3f68 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3f68 n LEU 144 N -0.13 0.35 -3.82 3.41 4.77 -1.26 -0.66 117.00 119.67 3f68 n LEU 144 Ca 0.12 0.47 -0.02 0.00 -0.03 0.00 0.00 56.01 56.54 3f68 n LEU 144 Cb 0.44 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3f68 n LEU 144 CO 0.53 -0.05 0.83 -1.59 -1.33 0.00 0.00 177.39 175.78 3f68 s LYS 145 N -3.04 1.12 0.00 3.23 -2.85 -1.26 -4.36 119.74 112.58 3f68 s LYS 145 Ca 0.12 -0.68 -0.01 0.00 -1.00 0.00 0.00 55.97 54.40 3f68 s LYS 145 Cb 0.16 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 3f68 s LYS 145 CO 0.58 -0.52 0.85 0.39 0.10 0.00 0.00 175.35 176.75 3f68 n GLU 146 N -0.62 0.33 -4.34 1.78 1.02 -1.26 -4.94 120.64 112.61 3f68 n GLU 146 Ca -0.04 -0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 56.79 3f68 n GLU 146 Cb 0.60 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.36 3f68 n GLU 146 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3f68 s GLN 151 N 2.19 0.75 0.49 3.49 -0.21 -1.26 -5.10 119.66 120.01 3f68 s GLN 151 Ca 0.08 -0.44 -0.08 0.00 0.02 0.00 0.00 55.36 54.94 3f68 s GLN 151 Cb 0.04 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 33.29 3f68 s GLN 151 CO 0.00 0.19 0.84 -1.25 -2.12 0.00 0.00 175.29 172.94 3f68 s PRO 152 N -0.51 3.62 0.16 2.91 0.04 -1.26 -4.92 135.00 135.04 3f68 s PRO 152 Ca 0.02 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.42 3f68 s PRO 152 Cb -0.05 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 3f68 s PRO 152 CO 0.00 -0.24 1.39 1.03 0.04 0.00 0.00 177.00 179.22 3f68 h SER 153 N 0.38 0.53 -4.53 6.66 0.87 -1.99 -3.43 113.55 112.05 3f68 h SER 153 Ca -0.46 -0.37 -0.36 0.00 -1.23 0.00 0.00 61.79 59.37 3f68 h SER 153 Cb 1.20 -0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 62.86 3f68 h SER 153 CO 0.62 1.13 -0.60 0.68 -0.53 0.00 0.00 176.83 178.13 3f68 s VAL 154 N -3.53 0.51 0.07 2.23 -7.23 -1.26 -1.89 120.40 109.31 3f68 s VAL 154 Ca -0.06 -2.00 -0.36 0.00 -1.81 0.00 0.00 61.98 57.75 3f68 s VAL 154 Cb 0.10 -2.61 -0.19 0.00 0.56 0.00 0.00 36.38 34.24 3f68 s VAL 154 CO 0.85 0.00 0.98 -0.11 -0.31 0.00 0.00 175.10 176.51 3f68 n LEU 155 N -0.49 0.02 -4.67 1.32 7.94 0.10 -4.83 117.00 116.41 3f68 n LEU 155 Ca 0.00 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 55.77 3f68 n LEU 155 Cb 0.66 -0.98 -0.08 0.00 0.53 0.00 0.00 43.42 43.55 3f68 n LEU 155 CO 0.37 -2.01 -0.34 -1.10 -1.11 0.00 0.00 177.39 173.20 3f68 s GLN 156 N -0.22 2.43 0.02 1.96 -1.52 -0.95 -0.75 119.66 120.63 3f68 s GLN 156 Ca 0.83 -1.03 0.02 0.00 -1.95 0.00 0.00 55.36 53.23 3f68 s GLN 156 Cb -1.12 -2.40 -0.01 0.00 -0.22 0.00 0.00 33.01 29.25 3f68 s GLN 156 CO 0.55 0.48 -0.07 0.14 -0.25 0.00 0.00 175.29 176.14 3f68 s VAL 157 N -1.58 0.53 -0.13 1.09 -7.23 0.32 -1.56 120.40 111.84 3f68 s VAL 157 Ca 0.27 -0.69 -0.11 0.00 -1.81 0.00 0.00 61.98 59.64 3f68 s VAL 157 Cb -0.10 -0.53 0.04 0.00 0.56 0.00 0.00 36.38 36.35 3f68 s VAL 157 CO 0.18 -0.12 0.34 0.54 -0.31 0.00 0.00 175.10 175.73 3f68 s VAL 158 N -0.77 -0.01 -0.16 1.32 0.11 -0.83 -0.64 120.40 119.43 3f68 s VAL 158 Ca -0.04 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.91 3f68 s VAL 158 Cb -0.06 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 3f68 s VAL 158 CO 0.00 0.01 0.28 0.20 -3.33 0.00 0.00 175.10 172.26 3f68 s ASN 159 N 0.48 6.43 -0.02 3.54 0.01 -1.26 -0.67 114.94 123.45 3f68 s ASN 159 Ca -0.02 0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 52.61 3f68 s ASN 159 Cb -0.04 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.45 3f68 s ASN 159 CO -0.02 0.13 0.04 -0.76 -1.51 0.00 0.00 177.10 174.97 3f68 s LEU 160 N 0.34 1.82 0.19 0.60 1.43 0.71 -4.95 118.68 118.83 3f68 s LEU 160 Ca 0.16 0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 53.09 3f68 s LEU 160 Cb -0.13 0.13 -0.08 0.00 0.03 0.00 0.00 46.19 46.14 3f68 s LEU 160 CO 0.04 -0.02 0.80 -2.16 0.23 0.00 0.00 176.35 175.24 3f68 s PRO 161 N 0.06 4.55 0.38 1.29 0.04 -1.26 -0.64 135.00 139.41 3f68 s PRO 161 Ca -0.00 1.16 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 3f68 s PRO 161 Cb -0.01 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 3f68 s PRO 161 CO -0.00 0.52 1.33 0.42 0.04 0.00 0.00 177.00 179.31 3f68 s ILE 162 N -1.24 2.56 -0.03 0.56 1.01 -0.46 -0.77 121.20 122.83 3f68 s ILE 162 Ca 0.38 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.58 3f68 s ILE 162 Cb -0.22 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3f68 s ILE 162 CO 0.26 0.10 -0.06 -0.69 0.00 0.00 0.00 174.94 174.55 3f68 s VAL 163 N -1.20 3.73 0.32 2.92 1.01 -0.82 -0.70 120.40 125.65 3f68 s VAL 163 Ca 0.54 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3f68 s VAL 163 Cb -0.40 -2.58 -0.13 0.00 0.00 0.00 0.00 36.38 33.28 3f68 s VAL 163 CO 0.52 0.49 1.27 -0.62 0.00 0.00 0.00 175.10 176.76 3f68 n GLU 164 N 1.87 1.99 -0.30 2.72 4.71 -1.26 -4.61 120.64 125.76 3f68 n GLU 164 Ca -0.17 0.70 -0.03 0.00 -0.01 0.00 0.00 57.16 57.65 3f68 n GLU 164 Cb 0.53 -2.26 0.08 0.00 -1.01 0.00 0.00 31.44 28.78 3f68 n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3f68 h ARG 165 N 2.76 1.05 -0.25 3.49 2.43 -1.98 -1.32 114.38 120.57 3f68 h ARG 165 Ca -0.45 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3f68 h ARG 165 Cb 1.29 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3f68 h ARG 165 CO 0.65 0.70 0.17 -1.35 -1.51 0.00 0.00 179.97 178.62 3f68 h PRO 166 N 1.09 0.25 -0.04 0.20 0.11 -2.00 -1.17 132.00 130.44 3f68 h PRO 166 Ca 0.31 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 66.18 3f68 h PRO 166 Cb -0.09 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 30.97 3f68 h PRO 166 CO -0.08 0.16 -0.90 0.28 -0.21 0.00 0.00 178.00 177.25 3f68 h VAL 167 N 0.25 1.35 0.02 3.15 2.07 -1.63 -2.41 116.25 119.05 3f68 h VAL 167 Ca 0.10 -2.27 0.02 0.00 0.82 0.00 0.00 66.70 65.37 3f68 h VAL 167 Cb 0.09 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3f68 h VAL 167 CO -0.02 0.69 -0.19 0.00 0.02 0.00 0.00 177.57 178.07 3f68 h LYS 169 N -0.32 0.25 0.00 0.00 1.57 -1.26 -2.34 116.57 114.47 3f68 h LYS 169 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3f68 h LYS 169 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3f68 h LYS 169 CO -0.16 0.17 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3f68 n ASP 170 N -5.04 0.00 -0.49 0.86 8.00 -0.91 -2.79 116.55 116.18 3f68 n ASP 170 Ca 0.02 0.20 0.13 0.00 0.71 0.00 0.00 54.79 55.85 3f68 n ASP 170 Cb 0.15 -0.36 0.30 0.00 -0.02 0.00 0.00 41.12 41.19 3f68 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3f68 n SER 171 N -1.36 1.70 -3.76 -2.24 3.41 -0.88 -4.96 113.62 105.53 3f68 n SER 171 Ca 0.07 -1.38 -0.11 0.00 -0.26 0.00 0.00 58.87 57.18 3f68 n SER 171 Cb 0.17 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 3f68 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3f68 s THR 172 N -2.26 0.09 -0.92 6.66 -1.32 -1.12 -4.83 115.64 111.94 3f68 s THR 172 Ca 0.28 -0.71 0.26 0.00 -1.21 0.00 0.00 61.69 60.31 3f68 s THR 172 Cb 0.20 -0.97 0.11 0.00 -1.51 0.00 0.00 72.50 70.33 3f68 s THR 172 CO 0.44 -0.39 1.59 0.54 -2.21 0.00 0.00 174.62 174.59 3f68 n ARG 173 N 0.52 0.07 -2.46 7.08 1.74 -1.26 -4.92 116.66 117.43 3f68 n ARG 173 Ca -0.18 0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.58 3f68 n ARG 173 Cb 0.60 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 3f68 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3f68 s ILE 174 N -3.03 3.58 -0.51 0.55 -1.09 -1.26 -4.97 121.20 114.46 3f68 s ILE 174 Ca 0.11 1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 59.27 3f68 s ILE 174 Cb 0.17 -3.44 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 3f68 s ILE 174 CO 0.64 -0.17 1.20 -0.60 -1.23 0.00 0.00 174.94 174.78 3f68 s ARG 175 N -3.11 3.61 0.09 2.79 3.52 -1.26 -5.01 118.95 119.57 3f68 s ARG 175 Ca 0.67 0.48 -0.27 0.00 -0.13 0.00 0.00 55.73 56.49 3f68 s ARG 175 Cb -0.20 -3.97 -0.06 0.00 -1.56 0.00 0.00 34.95 29.16 3f68 s ARG 175 CO 0.24 -1.54 0.83 0.42 -0.81 0.00 0.00 175.30 174.44 3f68 s ILE 176 N 4.83 4.59 0.44 4.11 -1.09 -1.26 -4.90 121.20 127.92 3f68 s ILE 176 Ca 0.48 1.79 0.07 0.00 -2.23 0.00 0.00 60.65 60.77 3f68 s ILE 176 Cb -0.08 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 3f68 s ILE 176 CO 0.29 0.37 0.39 0.42 -1.23 0.00 0.00 174.94 175.19 3f68 s THR 177 N -0.22 2.47 -1.03 2.92 -4.23 -1.26 -5.00 115.64 109.30 3f68 s THR 177 Ca 0.41 -1.37 0.14 0.00 -1.18 0.00 0.00 61.69 59.69 3f68 s THR 177 Cb -0.22 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 70.91 3f68 s THR 177 CO 0.26 0.00 1.45 0.47 -0.54 0.00 0.00 174.62 176.26 3f68 n ASP 178 N -1.59 0.00 -0.99 3.99 8.00 -1.26 -2.11 116.55 122.60 3f68 n ASP 178 Ca 0.03 0.47 0.06 0.00 0.71 0.00 0.00 54.79 56.06 3f68 n ASP 178 Cb 0.62 -0.49 0.20 0.00 -0.02 0.00 0.00 41.12 41.44 3f68 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3f68 n ASN 179 N -1.49 2.84 -4.16 -2.24 3.02 -1.26 -4.88 115.26 107.09 3f68 n ASN 179 Ca 0.04 -2.21 -0.12 0.00 -0.03 0.00 0.00 54.58 52.25 3f68 n ASN 179 Cb 0.16 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 3f68 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3f68 s MET 180 N -1.67 0.79 0.13 3.52 -1.94 -0.90 -1.33 119.30 117.92 3f68 s MET 180 Ca 0.29 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 3f68 s MET 180 Cb 0.18 -0.30 -0.04 0.00 2.01 0.00 0.00 34.83 36.68 3f68 s MET 180 CO 0.15 0.02 0.02 -0.59 -0.01 0.00 0.00 175.02 174.60 3f68 s PHE 181 N -3.01 0.93 0.25 -0.03 -0.12 -0.65 -4.83 117.98 110.53 3f68 s PHE 181 Ca 0.07 -1.11 0.11 0.00 -0.05 0.00 0.00 56.93 55.95 3f68 s PHE 181 Cb 0.01 -0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 41.81 3f68 s PHE 181 CO -0.03 -0.36 -0.20 0.00 -0.05 0.00 0.00 175.22 174.58 3f68 s ALA 183 N -2.43 -0.27 0.00 0.00 0.00 -0.31 -1.95 121.76 116.79 3f68 s ALA 183 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3f68 s ALA 183 Cb -0.05 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3f68 s ALA 183 CO 0.13 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3f68 n GLY 184 N 0.76 4.30 3.82 0.00 0.00 0.05 -2.06 105.19 112.06 3f68 n GLY 184 Ca -0.19 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 3f68 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f68 s TYR 184 N -2.00 3.22 0.71 1.61 2.02 -1.26 -4.55 117.35 117.09 3f68 s TYR 184 Ca 0.00 1.57 -0.11 0.00 -0.37 0.00 0.00 57.07 58.16 3f68 s TYR 184 Cb 0.00 -2.91 0.02 0.00 -0.40 0.00 0.00 41.96 38.66 3f68 s TYR 184 CO 0.00 -0.43 1.09 0.15 -1.57 0.00 0.00 175.55 174.79 3f68 s LYS 185 N -3.40 2.83 0.29 -0.62 1.02 -1.26 -4.81 119.74 113.79 3f68 s LYS 185 Ca 0.63 0.55 -0.02 0.00 0.02 0.00 0.00 55.97 57.15 3f68 s LYS 185 Cb -0.12 -2.01 0.43 0.00 -0.52 0.00 0.00 37.83 35.61 3f68 s LYS 185 CO 0.20 -1.08 1.96 -1.35 -0.92 0.00 0.00 175.35 174.16 3f68 h PRO 186 N -0.69 1.11 0.00 -1.68 0.11 -1.96 -2.48 132.00 126.42 3f68 h PRO 186 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3f68 h PRO 186 Cb 1.25 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3f68 h PRO 186 CO 0.62 0.74 0.00 -0.25 -0.21 0.00 0.00 178.00 178.90 3f68 n ASP 186 N -4.41 0.00 -0.00 -2.05 9.92 -1.26 -3.44 116.55 115.31 3f68 n ASP 186 Ca 0.10 0.09 0.06 0.00 -0.53 0.00 0.00 54.79 54.51 3f68 n ASP 186 Cb 0.03 -0.14 -0.09 0.00 -0.64 0.00 0.00 41.12 40.28 3f68 n ASP 186 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3f68 n GLU 186 N -1.14 1.68 0.00 -1.24 1.02 -0.93 -5.02 120.64 115.00 3f68 n GLU 186 Ca 0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3f68 n GLU 186 Cb 0.01 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3f68 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f68 n GLY 186 N 1.49 2.02 3.74 0.62 0.00 -1.22 -4.98 105.19 106.85 3f68 n GLY 186 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 3f68 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f68 s LYS 186 N 0.00 2.55 0.00 1.61 1.02 -1.26 -5.06 119.74 118.60 3f68 s LYS 186 Ca 0.00 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.87 3f68 s LYS 186 Cb 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 3f68 s LYS 186 CO 0.00 -1.55 0.00 2.89 -0.92 0.00 0.00 175.35 175.77 3f68 n ARG 187 N -2.08 0.12 0.00 1.68 1.85 -1.26 -4.68 116.66 112.29 3f68 n ARG 187 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3f68 n ARG 187 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 3f68 n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3f68 n GLY 188 N 0.17 3.83 3.61 2.89 0.00 -1.26 -4.90 105.19 109.54 3f68 n GLY 188 Ca 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 3f68 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f68 s ASP 189 N 0.00 -0.13 0.73 1.61 2.15 -0.87 -4.72 116.67 115.44 3f68 s ASP 189 Ca 0.00 -0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.78 3f68 s ASP 189 Cb 0.00 0.20 0.03 0.00 -0.30 0.00 0.00 42.92 42.85 3f68 s ASP 189 CO 0.00 -0.35 1.08 0.00 -0.17 0.00 0.00 175.17 175.72 3f68 s ALA 190 N -2.57 2.59 0.24 3.66 0.00 -1.26 -0.26 121.76 124.17 3f68 s ALA 190 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 3f68 s ALA 190 Cb 0.01 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.03 3f68 s ALA 190 CO -0.04 -1.35 0.38 0.00 0.00 0.00 0.00 175.76 174.75 3f68 n GLU 192 N -0.39 1.28 0.00 0.00 2.13 -1.26 -1.04 120.64 121.36 3f68 n GLU 192 Ca -0.01 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.27 3f68 n GLU 192 Cb 0.40 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 29.97 3f68 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f68 n GLY 193 N 3.31 0.31 0.13 8.31 0.00 -1.26 -0.84 105.19 115.16 3f68 n GLY 193 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 3f68 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f68 h ASP 194 N 0.00 0.00 -1.26 1.61 3.32 -1.42 -3.31 116.42 115.35 3f68 h ASP 194 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3f68 h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 3f68 h ASP 194 CO 0.00 0.32 -0.56 -1.20 -1.72 0.00 0.00 179.24 176.08 3f68 n SER 195 N -2.95 -1.37 0.00 6.45 7.64 -1.26 -1.65 113.62 120.49 3f68 n SER 195 Ca -0.02 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.93 3f68 n SER 195 Cb 0.69 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 3f68 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f68 n GLY 196 N 2.00 3.07 3.70 0.23 0.00 -0.38 0.07 105.19 113.88 3f68 n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3f68 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f68 s GLY 197 N -1.46 1.57 0.16 -0.02 0.00 -0.66 -3.08 107.32 103.85 3f68 s GLY 197 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 44.72 44.20 3f68 s GLY 197 CO 0.00 0.23 0.60 2.56 0.00 0.00 0.00 173.10 176.49 3f68 s PRO 198 N -5.02 4.07 -0.37 2.90 0.04 -1.26 -0.95 135.00 134.42 3f68 s PRO 198 Ca 0.65 0.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 3f68 s PRO 198 Cb -0.18 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.44 3f68 s PRO 198 CO 0.57 0.46 0.24 0.12 0.04 0.00 0.00 177.00 178.43 3f68 s PHE 199 N -1.46 3.23 0.26 0.56 2.19 0.02 -3.70 117.98 119.07 3f68 s PHE 199 Ca 0.39 -0.59 0.11 0.00 0.33 0.00 0.00 56.93 57.16 3f68 s PHE 199 Cb -0.16 -2.48 -0.05 0.00 -1.31 0.00 0.00 43.02 39.02 3f68 s PHE 199 CO 0.20 -0.53 -0.13 0.14 1.83 0.00 0.00 175.22 176.72 3f68 s VAL 200 N 1.65 2.82 0.04 3.12 -7.23 -0.31 -1.51 120.40 118.97 3f68 s VAL 200 Ca 0.04 -2.18 0.03 0.00 -1.81 0.00 0.00 61.98 58.06 3f68 s VAL 200 Cb -0.18 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 3f68 s VAL 200 CO 0.09 -0.36 -0.10 -0.04 -0.31 0.00 0.00 175.10 174.38 3f68 s MET 201 N -3.46 0.69 -0.33 4.82 -1.94 0.12 -0.95 119.30 118.24 3f68 s MET 201 Ca 0.30 -0.71 -0.14 0.00 -1.71 0.00 0.00 55.69 53.42 3f68 s MET 201 Cb -0.06 -0.60 -0.02 0.00 2.01 0.00 0.00 34.83 36.16 3f68 s MET 201 CO 0.16 0.14 0.29 0.21 -0.01 0.00 0.00 175.02 175.81 3f68 s LYS 202 N -1.27 3.59 0.15 2.03 2.20 -1.26 -1.01 119.74 124.17 3f68 s LYS 202 Ca -0.03 -0.50 -0.31 0.00 -0.36 0.00 0.00 55.97 54.76 3f68 s LYS 202 Cb -0.08 -3.79 -0.10 0.00 -1.51 0.00 0.00 37.83 32.35 3f68 s LYS 202 CO 0.01 -0.44 1.65 0.45 -0.36 0.00 0.00 175.35 176.66 3f68 s SER 203 N 1.73 6.52 0.00 1.43 0.15 -0.09 -4.87 113.70 118.57 3f68 s SER 203 Ca 0.09 2.67 0.28 0.00 0.70 0.00 0.00 55.95 59.68 3f68 s SER 203 Cb -0.17 -2.59 1.28 0.00 -1.71 0.00 0.00 66.02 62.84 3f68 s SER 203 CO 0.11 -0.89 1.92 -0.81 1.20 0.00 0.00 173.24 174.76 3f68 n PRO 204 N 4.44 0.20 0.03 5.44 -0.04 -1.26 -0.80 135.00 143.01 3f68 n PRO 204 Ca 0.15 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.43 3f68 n PRO 204 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 3f68 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3f68 h PHE 204 N 0.00 0.52 0.00 0.54 0.04 -1.97 -3.41 116.94 112.67 3f68 h PHE 204 Ca 0.00 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3f68 h PHE 204 Cb 0.37 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3f68 h PHE 204 CO 0.00 1.50 0.00 0.27 -0.60 0.00 0.00 178.31 179.48 3f68 n ASN 204 N -3.94 1.01 -2.04 2.17 2.04 -1.23 -5.02 115.26 108.25 3f68 n ASN 204 Ca -0.22 -1.44 -0.20 0.00 -0.44 0.00 0.00 54.58 52.29 3f68 n ASN 204 Cb 0.91 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 38.11 3f68 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3f68 n ASN 205 N -0.22 -5.48 -4.79 0.53 3.02 0.02 -5.00 115.26 103.33 3f68 n ASN 205 Ca 0.00 0.22 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 3f68 n ASN 205 Cb 0.30 -4.70 -0.06 0.00 -0.61 0.00 0.00 39.78 34.71 3f68 n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3f68 s ARG 206 N -4.44 2.93 -0.05 3.52 0.52 -1.25 -4.85 118.95 115.34 3f68 s ARG 206 Ca 0.00 -0.72 -0.25 0.00 -0.52 0.00 0.00 55.73 54.25 3f68 s ARG 206 Cb 0.00 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 3f68 s ARG 206 CO 0.00 0.55 0.75 -1.58 0.02 0.00 0.00 175.30 175.04 3f68 s TRP 207 N -1.49 3.59 -0.04 -0.53 0.52 -1.26 -0.92 118.94 118.82 3f68 s TRP 207 Ca 0.30 1.33 0.05 0.00 0.02 0.00 0.00 56.10 57.80 3f68 s TRP 207 Cb -0.12 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.32 3f68 s TRP 207 CO 0.23 0.07 -0.18 0.71 0.02 0.00 0.00 176.95 177.80 3f68 s TYR 208 N 0.82 2.58 -0.57 -1.98 2.02 -0.18 -2.05 117.35 117.99 3f68 s TYR 208 Ca 0.40 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.59 3f68 s TYR 208 Cb -0.18 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 3f68 s TYR 208 CO 0.20 0.09 0.88 -1.14 -1.57 0.00 0.00 175.55 174.00 3f68 s GLN 209 N -0.64 3.23 0.11 -0.62 0.74 0.47 -0.70 119.66 122.24 3f68 s GLN 209 Ca 0.10 -0.54 0.18 0.00 0.05 0.00 0.00 55.36 55.15 3f68 s GLN 209 Cb -0.11 -4.11 -0.09 0.00 1.10 0.00 0.00 33.01 29.81 3f68 s GLN 209 CO 0.00 -1.51 0.90 0.52 -0.55 0.00 0.00 175.29 174.66 3f68 h MET 210 N 9.30 0.00 -4.29 1.67 2.86 -1.60 -3.40 114.93 119.48 3f68 h MET 210 Ca -0.27 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.20 3f68 h MET 210 Cb 1.08 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.60 3f68 h MET 210 CO 1.08 0.21 -0.54 0.20 1.06 0.00 0.00 176.91 178.93 3f68 s GLY 211 N -4.66 0.93 -0.08 8.32 0.00 -0.96 -1.92 107.32 108.95 3f68 s GLY 211 Ca -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.38 3f68 s GLY 211 CO 0.80 -1.21 -0.17 -0.42 0.00 0.00 0.00 173.10 172.10 3f68 s ILE 212 N -4.05 1.54 -0.01 0.90 1.01 -0.89 -0.80 121.20 118.91 3f68 s ILE 212 Ca 0.25 -0.71 -0.33 0.00 0.00 0.00 0.00 60.65 59.86 3f68 s ILE 212 Cb 0.06 -1.37 -0.11 0.00 0.01 0.00 0.00 42.46 41.05 3f68 s ILE 212 CO 0.04 0.45 1.88 0.52 0.00 0.00 0.00 174.94 177.82 3f68 n VAL 213 N 3.71 0.56 0.04 2.92 0.31 -0.12 -0.67 118.33 125.07 3f68 n VAL 213 Ca -0.21 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3f68 n VAL 213 Cb 0.52 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 3f68 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3f68 n SER 214 N 6.48 0.51 -3.55 4.52 2.88 -0.58 -1.25 113.62 122.63 3f68 n SER 214 Ca 0.21 0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.76 3f68 n SER 214 Cb 0.33 -0.12 -0.02 0.00 -0.75 0.00 0.00 64.21 63.65 3f68 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3f68 s TRP 215 N -2.00 -0.42 0.15 0.66 1.48 -0.88 -4.93 118.94 113.01 3f68 s TRP 215 Ca 0.00 0.15 -0.24 0.00 -1.06 0.00 0.00 56.10 54.95 3f68 s TRP 215 Cb 0.00 0.60 0.06 0.00 -1.16 0.00 0.00 33.47 32.97 3f68 s TRP 215 CO 0.00 -0.93 0.75 0.20 -4.06 0.00 0.00 176.95 172.91 3f68 s GLY 216 N -2.78 -0.39 -0.43 3.67 0.00 -1.26 -0.20 107.32 105.92 3f68 s GLY 216 Ca 0.04 0.34 -0.10 0.00 0.00 0.00 0.00 44.72 45.00 3f68 s GLY 216 CO -0.07 0.11 0.29 -0.54 0.00 0.00 0.00 173.10 172.89 3f68 s GLU 217 N -3.58 2.64 0.75 2.90 2.02 -1.26 -4.94 118.70 117.23 3f68 s GLU 217 Ca 0.06 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.57 3f68 s GLU 217 Cb -0.02 -3.85 0.00 0.00 0.10 0.00 0.00 34.13 30.35 3f68 s GLU 217 CO -0.05 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.65 3f68 n GLY 219 N 4.96 -2.15 2.78 -1.39 0.00 -1.26 -4.76 105.19 103.37 3f68 n GLY 219 Ca -0.10 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 3f68 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f68 n ASP 221 N 4.75 -5.18 -4.78 0.00 2.03 -1.26 -4.65 116.55 107.46 3f68 n ASP 221 Ca -0.14 -0.02 -0.37 0.00 0.52 0.00 0.00 54.79 54.78 3f68 n ASP 221 Cb 0.50 -4.25 -0.05 0.00 -0.72 0.00 0.00 41.12 36.60 3f68 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3f68 s ARG 221 N -4.90 4.33 0.44 -0.67 0.52 -1.26 -4.93 118.95 112.47 3f68 s ARG 221 Ca 0.01 1.47 -0.25 0.00 -0.52 0.00 0.00 55.73 56.43 3f68 s ARG 221 Cb -0.00 -2.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.73 3f68 s ARG 221 CO 0.01 0.02 1.34 -0.51 0.02 0.00 0.00 175.30 176.17 3f68 s ASP 222 N -1.55 6.07 0.00 0.23 1.11 -1.26 -2.40 116.67 118.87 3f68 s ASP 222 Ca 0.55 2.72 0.00 0.00 0.18 0.00 0.00 52.55 56.00 3f68 s ASP 222 Cb -0.21 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.14 3f68 s ASP 222 CO 0.27 -1.03 0.00 0.61 1.18 0.00 0.00 175.17 176.20 3f68 n GLY 223 N 0.63 0.31 3.64 0.21 0.00 -1.26 -5.00 105.19 103.71 3f68 n GLY 223 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3f68 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f68 s LYS 224 N -0.86 2.21 0.07 1.61 1.02 -1.01 -4.81 119.74 117.97 3f68 s LYS 224 Ca 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.47 3f68 s LYS 224 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 3f68 s LYS 224 CO 0.00 0.28 -0.06 0.71 -0.92 0.00 0.00 175.35 175.36 3f68 s TYR 225 N -2.39 0.71 0.27 3.18 1.51 -1.26 -4.74 117.35 114.63 3f68 s TYR 225 Ca 0.33 -0.81 -0.16 0.00 -1.01 0.00 0.00 57.07 55.42 3f68 s TYR 225 Cb -0.04 -0.44 -0.08 0.00 -0.11 0.00 0.00 41.96 41.29 3f68 s TYR 225 CO 0.20 -0.18 0.70 0.20 -1.11 0.00 0.00 175.55 175.36 3f68 s GLY 226 N -2.51 2.42 -0.06 0.71 0.00 -0.87 -4.65 107.32 102.35 3f68 s GLY 226 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.81 3f68 s GLY 226 CO -0.04 0.29 -0.09 -1.36 0.00 0.00 0.00 173.10 171.90 3f68 s PHE 227 N -1.79 2.86 -0.04 1.90 0.40 0.72 -1.17 117.98 120.87 3f68 s PHE 227 Ca 0.49 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.81 3f68 s PHE 227 Cb -0.13 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.72 3f68 s PHE 227 CO 0.19 0.28 -0.12 0.71 0.70 0.00 0.00 175.22 176.98 3f68 s TYR 228 N -0.77 1.26 0.21 0.36 1.51 -0.37 -1.52 117.35 118.03 3f68 s TYR 228 Ca 0.12 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 3f68 s TYR 228 Cb -0.11 -0.88 -0.10 0.00 -0.11 0.00 0.00 41.96 40.76 3f68 s TYR 228 CO 0.01 -0.14 1.53 0.99 -1.11 0.00 0.00 175.55 176.83 3f68 s THR 229 N 0.20 2.54 -0.76 -0.71 2.01 0.15 -1.63 115.64 117.44 3f68 s THR 229 Ca -0.05 0.41 -0.25 0.00 0.31 0.00 0.00 61.69 62.12 3f68 s THR 229 Cb -0.10 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.19 3f68 s THR 229 CO 0.01 0.05 1.20 -2.28 -0.69 0.00 0.00 174.62 172.91 3f68 s HIS 230 N 0.60 2.48 0.16 4.92 2.46 -0.44 -2.08 115.29 123.38 3f68 s HIS 230 Ca 0.66 -0.38 -0.14 0.00 0.47 0.00 0.00 55.06 55.67 3f68 s HIS 230 Cb -0.44 -4.52 0.04 0.00 -0.13 0.00 0.00 32.58 27.53 3f68 s HIS 230 CO 0.38 -1.90 1.72 0.28 -2.47 0.00 0.00 174.74 172.74 3f68 h VAL 231 N 6.10 1.21 -0.22 0.89 2.07 -1.69 -1.60 116.25 123.00 3f68 h VAL 231 Ca -0.19 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3f68 h VAL 231 Cb 1.05 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3f68 h VAL 231 CO 1.26 0.24 0.15 0.15 0.02 0.00 0.00 177.57 179.39 3f68 h PHE 232 N 0.68 0.20 0.00 1.57 3.57 -1.87 -1.43 116.94 119.66 3f68 h PHE 232 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3f68 h PHE 232 Cb 0.17 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3f68 h PHE 232 CO 0.00 0.12 0.00 -0.09 -2.23 0.00 0.00 178.31 176.11 3f68 h ARG 233 N 0.21 0.00 -0.27 1.11 2.43 -1.67 -2.91 114.38 113.29 3f68 h ARG 233 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3f68 h ARG 233 Cb 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3f68 h ARG 233 CO -0.02 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.72 3f68 n LEU 234 N -3.04 3.91 0.16 3.80 4.77 -0.55 -4.74 117.00 121.31 3f68 n LEU 234 Ca 0.02 -3.06 0.01 0.00 -0.03 0.00 0.00 56.01 52.94 3f68 n LEU 234 Cb 0.36 -0.55 0.25 0.00 -2.33 0.00 0.00 43.42 41.15 3f68 n LEU 234 CO 0.28 0.71 0.59 0.50 -1.33 0.00 0.00 177.39 178.14 3f68 h LYS 235 N 1.75 0.00 -0.51 3.23 3.64 -1.32 -2.49 116.57 120.87 3f68 h LYS 235 Ca 0.02 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3f68 h LYS 235 Cb 1.47 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.23 3f68 h LYS 235 CO 0.24 0.51 0.18 0.87 -2.27 0.00 0.00 179.45 178.98 3f68 h LYS 236 N 0.00 0.35 -0.29 1.90 1.79 -1.85 0.27 116.57 118.74 3f68 h LYS 236 Ca -0.01 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 3f68 h LYS 236 Cb 0.92 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 3f68 h LYS 236 CO 0.07 0.23 -0.12 2.35 -1.08 0.00 0.00 179.45 180.90 3f68 h TRP 237 N 0.36 0.52 -0.07 -1.35 7.01 -1.85 0.73 115.95 121.30 3f68 h TRP 237 Ca 0.25 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3f68 h TRP 237 Cb 0.27 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3f68 h TRP 237 CO -0.16 0.60 0.01 0.82 -2.79 0.00 0.00 178.44 176.91 3f68 h ILE 238 N 0.45 1.22 0.09 2.65 2.04 -0.70 -0.79 117.51 122.48 3f68 h ILE 238 Ca 0.09 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3f68 h ILE 238 Cb 0.48 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3f68 h ILE 238 CO 0.03 0.19 -0.15 -0.61 0.00 0.00 0.00 178.15 177.61 3f68 h GLN 239 N -0.13 -0.29 -0.13 2.37 5.75 -0.37 -0.29 115.11 122.02 3f68 h GLN 239 Ca 0.02 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3f68 h GLN 239 Cb 0.30 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.85 3f68 h GLN 239 CO 0.00 -0.19 -0.52 0.87 -2.65 0.00 0.00 178.83 176.34 3f68 h LYS 240 N -0.30 -0.53 -0.68 1.69 1.57 -0.87 0.36 116.57 117.81 3f68 h LYS 240 Ca 0.02 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 3f68 h LYS 240 Cb 0.32 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3f68 h LYS 240 CO -0.09 -0.36 0.31 0.28 -0.57 0.00 0.00 179.45 179.02 3f68 h VAL 241 N -0.55 0.81 -0.18 0.50 2.07 -0.76 -2.24 116.25 115.90 3f68 h VAL 241 Ca 0.03 -0.18 -0.22 0.00 0.82 0.00 0.00 66.70 67.16 3f68 h VAL 241 Cb 0.65 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3f68 h VAL 241 CO -0.42 0.10 -0.73 0.40 0.02 0.00 0.00 177.57 176.93 3f68 h ILE 242 N 0.52 1.28 0.00 4.57 2.04 -0.35 -2.02 117.51 123.55 3f68 h ILE 242 Ca 0.34 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 64.26 3f68 h ILE 242 Cb 0.39 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3f68 h ILE 242 CO -0.29 0.62 0.00 0.47 0.00 0.00 0.00 178.15 178.95 3f68 n ASP 243 N -3.94 0.00 -0.20 1.72 8.00 0.12 0.26 116.55 122.51 3f68 n ASP 243 Ca -0.07 0.97 -0.06 0.00 0.71 0.00 0.00 54.79 56.35 3f68 n ASP 243 Cb 0.72 -0.47 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3f68 n ASP 243 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3f68 h GLN 244 N 0.00 0.74 -0.24 -1.24 5.75 -1.57 -2.53 115.11 116.02 3f68 h GLN 244 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3f68 h GLN 244 Cb 0.00 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.38 3f68 h GLN 244 CO 0.00 0.49 0.00 1.19 -2.65 0.00 0.00 178.83 177.86 3f68 n PHE 245 N -4.70 0.32 -0.30 3.99 3.01 -0.76 -5.13 117.46 113.88 3f68 n PHE 245 Ca 0.04 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3f68 n PHE 245 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3f68 n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18