#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afq s VAL 17 N 0.00 1.20 -1.31 1.39 1.01 -0.52 -4.56 120.40 117.62 2afq s VAL 17 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 2afq s VAL 17 Cb 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 2afq s VAL 17 CO 0.00 0.37 0.69 -0.62 0.00 0.00 0.00 175.10 175.54 2afq n GLU 18 N 3.66 -4.78 -1.96 2.72 1.02 -1.26 -1.38 120.64 118.65 2afq n GLU 18 Ca -0.22 0.61 -0.04 0.00 -0.02 0.00 0.00 57.16 57.49 2afq n GLU 18 Cb 0.52 -5.14 -0.00 0.00 -0.02 0.00 0.00 31.44 26.80 2afq n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2afq n GLY 19 N -1.59 3.22 3.43 0.62 0.00 -1.26 -4.03 105.19 105.59 2afq n GLY 19 Ca -0.30 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.31 2afq n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2afq s SER 20 N -1.48 3.01 0.36 1.61 1.04 -0.55 -4.88 113.70 112.82 2afq s SER 20 Ca 0.04 -1.12 -0.28 0.00 0.48 0.00 0.00 55.95 55.07 2afq s SER 20 Cb -0.00 -0.21 -0.10 0.00 0.10 0.00 0.00 66.02 65.80 2afq s SER 20 CO 0.02 -0.21 1.39 -1.81 0.98 0.00 0.00 173.24 173.62 2afq s ASP 21 N -3.45 6.50 0.35 7.02 1.01 -1.26 -0.87 116.67 125.97 2afq s ASP 21 Ca 0.28 2.86 -0.23 0.00 0.71 0.00 0.00 52.55 56.18 2afq s ASP 21 Cb 0.01 -2.66 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 2afq s ASP 21 CO 0.12 -0.74 0.92 0.00 0.21 0.00 0.00 175.17 175.67 2afq s ALA 22 N -1.14 3.17 0.66 5.23 0.00 -0.03 -4.79 121.76 124.86 2afq s ALA 22 Ca 0.52 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 2afq s ALA 22 Cb -0.43 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2afq s ALA 22 CO 0.58 0.18 1.06 -1.21 0.00 0.00 0.00 175.76 176.37 2afq s GLU 23 N -2.50 3.26 0.22 0.00 2.02 -1.26 -4.86 118.70 115.59 2afq s GLU 23 Ca 0.54 0.62 -0.31 0.00 0.02 0.00 0.00 54.97 55.84 2afq s GLU 23 Cb -0.15 -2.05 -0.12 0.00 0.10 0.00 0.00 34.13 31.92 2afq s GLU 23 CO 0.19 -0.78 1.67 0.42 0.02 0.00 0.00 175.26 176.78 2afq s ILE 24 N -3.26 2.11 -1.09 -1.63 -1.09 -1.26 -2.10 121.20 112.88 2afq s ILE 24 Ca 0.56 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 2afq s ILE 24 Cb -0.11 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2afq s ILE 24 CO 0.53 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 2afq n GLY 25 N 3.48 1.12 0.17 6.18 0.00 -1.26 -4.89 105.19 109.99 2afq n GLY 25 Ca 0.14 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.93 2afq n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2afq h MET 26 N 0.09 0.00 -2.02 1.61 -1.53 -1.80 -3.35 114.93 107.93 2afq h MET 26 Ca -0.21 0.00 -0.54 0.00 -3.44 0.00 0.00 59.70 55.51 2afq h MET 26 Cb 0.85 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.51 2afq h MET 26 CO 0.31 0.45 -1.10 0.45 0.14 0.00 0.00 176.91 177.16 2afq n SER 27 N -3.47 0.65 0.14 1.39 2.88 -1.26 -4.97 113.62 108.97 2afq n SER 27 Ca 0.00 -2.85 0.10 0.00 -1.33 0.00 0.00 58.87 54.79 2afq n SER 27 Cb 0.58 -0.63 0.51 0.00 -0.75 0.00 0.00 64.21 63.92 2afq n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2afq n PRO 28 N 1.01 0.13 -0.06 -1.46 -0.04 -1.26 -1.53 135.00 131.78 2afq n PRO 28 Ca 0.23 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.41 2afq n PRO 28 Cb 0.56 -1.89 0.29 0.00 -0.04 0.00 0.00 33.50 32.42 2afq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2afq n TRP 29 N -2.15 0.17 -2.03 0.54 2.14 -0.98 -1.76 117.44 113.37 2afq n TRP 29 Ca -0.01 -0.08 -0.41 0.00 2.07 0.00 0.00 57.50 59.06 2afq n TRP 29 Cb 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.52 2afq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2afq s GLN 30 N -1.83 4.28 -0.00 -2.67 2.00 -0.58 -0.58 119.66 120.27 2afq s GLN 30 Ca 0.34 2.28 0.04 0.00 -2.00 0.00 0.00 55.36 56.02 2afq s GLN 30 Cb 0.20 -3.12 -0.01 0.00 0.80 0.00 0.00 33.01 30.89 2afq s GLN 30 CO 0.30 -0.41 -0.11 0.08 -0.50 0.00 0.00 175.29 174.65 2afq s VAL 31 N 0.01 0.90 -0.22 1.34 1.01 -0.52 -4.14 120.40 118.78 2afq s VAL 31 Ca 0.59 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 2afq s VAL 31 Cb -0.41 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2afq s VAL 31 CO 0.43 0.22 -0.02 -0.04 0.00 0.00 0.00 175.10 175.69 2afq s MET 32 N -0.37 3.48 -0.29 2.72 1.00 -0.27 -1.34 119.30 124.23 2afq s MET 32 Ca 0.04 -0.58 -0.16 0.00 0.00 0.00 0.00 55.69 54.99 2afq s MET 32 Cb -0.05 -3.07 -0.03 0.00 0.00 0.00 0.00 34.83 31.69 2afq s MET 32 CO -0.00 -0.14 0.43 -1.17 0.00 0.00 0.00 175.02 174.14 2afq s LEU 33 N 1.37 4.15 0.16 -0.03 2.96 -0.63 -0.93 118.68 125.73 2afq s LEU 33 Ca 0.04 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 2afq s LEU 33 Cb -0.14 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2afq s LEU 33 CO -0.01 -0.28 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.38 2afq s PHE 34 N 2.18 2.86 0.30 5.38 0.40 0.23 -0.03 117.98 129.30 2afq s PHE 34 Ca 0.17 -0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2afq s PHE 34 Cb -0.16 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2afq s PHE 34 CO 0.11 0.51 0.51 1.03 0.70 0.00 0.00 175.22 178.07 2afq s ARG 35 N -2.84 3.52 -0.02 0.44 0.52 -0.65 -1.80 118.95 118.12 2afq s ARG 35 Ca 0.27 -0.27 -0.00 0.00 -0.52 0.00 0.00 55.73 55.20 2afq s ARG 35 Cb -0.10 -2.71 -0.26 0.00 0.52 0.00 0.00 34.95 32.41 2afq s ARG 35 CO 0.18 0.23 0.75 0.87 0.02 0.00 0.00 175.30 177.35 2afq h LYS 36 N 1.25 0.19 -2.47 3.54 1.57 -1.76 -3.18 116.57 115.72 2afq h LYS 36 Ca -0.49 -0.33 -0.32 0.00 -1.87 0.00 0.00 60.65 57.64 2afq h LYS 36 Cb 1.21 0.12 -0.35 0.00 0.08 0.00 0.00 32.23 33.28 2afq h LYS 36 CO 0.64 1.00 -0.63 0.45 -0.57 0.00 0.00 179.45 180.34 2afq s SER 36 N -6.80 1.46 0.57 0.86 0.15 -1.26 -2.72 113.70 105.95 2afq s SER 36 Ca -0.10 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.06 2afq s SER 36 Cb 0.07 0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2afq s SER 36 CO 0.83 -0.34 1.07 -2.16 1.20 0.00 0.00 173.24 173.85 2afq s PRO 37 N 2.33 3.37 -0.71 5.44 0.04 -1.26 -5.05 135.00 139.16 2afq s PRO 37 Ca 0.07 1.34 -0.27 0.00 0.04 0.00 0.00 61.00 62.18 2afq s PRO 37 Cb -0.16 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2afq s PRO 37 CO -0.16 -0.79 1.38 -1.14 0.04 0.00 0.00 177.00 176.33 2afq s GLN 38 N -3.74 3.11 0.16 4.56 0.74 -1.10 -4.44 119.66 118.95 2afq s GLN 38 Ca 0.66 -0.06 -0.18 0.00 0.05 0.00 0.00 55.36 55.83 2afq s GLN 38 Cb -0.18 -4.21 0.04 0.00 1.10 0.00 0.00 33.01 29.76 2afq s GLN 38 CO 0.32 -2.22 0.49 -1.83 -0.55 0.00 0.00 175.29 171.49 2afq s GLU 39 N 5.91 1.24 0.18 1.67 -1.05 -1.20 -4.96 118.70 120.49 2afq s GLU 39 Ca 0.41 -0.74 -0.31 0.00 -0.15 0.00 0.00 54.97 54.18 2afq s GLU 39 Cb -0.09 0.51 -0.10 0.00 -0.44 0.00 0.00 34.13 34.02 2afq s GLU 39 CO 0.17 -0.51 1.51 -1.17 0.95 0.00 0.00 175.26 176.21 2afq s LEU 40 N -2.83 4.37 -0.22 1.83 2.96 -1.26 -1.64 118.68 121.90 2afq s LEU 40 Ca 0.05 2.59 -0.06 0.00 -0.22 0.00 0.00 54.13 56.50 2afq s LEU 40 Cb 0.00 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 2afq s LEU 40 CO -0.08 -0.77 -0.25 -0.11 -1.32 0.00 0.00 176.35 173.82 2afq n LEU 41 N 3.57 2.17 -3.82 -0.68 7.94 0.95 -4.90 117.00 122.23 2afq n LEU 41 Ca 0.12 0.11 -0.06 0.00 -1.11 0.00 0.00 56.01 55.07 2afq n LEU 41 Cb 0.39 -0.70 -0.01 0.00 0.53 0.00 0.00 43.42 43.64 2afq n LEU 41 CO 0.61 0.63 0.58 0.00 -1.11 0.00 0.00 177.39 178.10 2afq s GLY 43 N -3.01 1.77 0.14 0.00 0.00 -0.28 -1.60 107.32 104.34 2afq s GLY 43 Ca 0.13 -1.50 -0.24 0.00 0.00 0.00 0.00 44.72 43.11 2afq s GLY 43 CO 0.07 -1.03 1.07 0.00 0.00 0.00 0.00 173.10 173.21 2afq s ALA 44 N -3.08 -1.75 0.03 3.20 0.00 -0.45 -3.61 121.76 116.10 2afq s ALA 44 Ca 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 2afq s ALA 44 Cb -0.07 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2afq s ALA 44 CO 0.43 -1.07 -0.01 -1.54 0.00 0.00 0.00 175.76 173.57 2afq s SER 45 N -3.31 0.27 -0.23 0.00 1.04 -0.02 -1.44 113.70 110.00 2afq s SER 45 Ca 0.20 -0.58 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 2afq s SER 45 Cb -0.01 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2afq s SER 45 CO 0.03 -0.37 0.32 -0.22 0.98 0.00 0.00 173.24 173.98 2afq s LEU 46 N -1.76 4.10 0.00 2.42 2.96 0.25 -0.66 118.68 126.00 2afq s LEU 46 Ca -0.11 0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 2afq s LEU 46 Cb -0.06 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 2afq s LEU 46 CO -0.03 -0.07 0.48 2.30 -1.32 0.00 0.00 176.35 177.72 2afq n ILE 47 N 4.58 0.00 -3.87 6.68 -5.35 -0.90 -1.90 119.36 118.60 2afq n ILE 47 Ca -0.10 -0.42 -0.03 0.00 -0.27 0.00 0.00 62.75 61.93 2afq n ILE 47 Cb 0.51 1.07 0.01 0.00 -1.74 0.00 0.00 39.64 39.50 2afq n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2afq s SER 48 N -1.12 -0.01 0.00 7.28 1.04 -1.22 -4.75 113.70 114.92 2afq s SER 48 Ca 0.05 -0.61 0.13 0.00 0.48 0.00 0.00 55.95 56.00 2afq s SER 48 Cb 0.05 0.47 0.56 0.00 0.10 0.00 0.00 66.02 67.20 2afq s SER 48 CO 0.18 -0.92 1.40 -0.90 0.98 0.00 0.00 173.24 173.98 2afq n ASP 49 N -1.13 0.00 0.00 7.02 5.75 -1.26 -3.58 116.55 123.35 2afq n ASP 49 Ca -0.03 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 2afq n ASP 49 Cb 0.60 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2afq n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2afq n ARG 50 N -1.47 0.06 -5.07 0.11 1.85 -1.26 -0.49 116.66 110.40 2afq n ARG 50 Ca 0.03 -0.29 -0.29 0.00 -1.00 0.00 0.00 57.85 56.31 2afq n ARG 50 Cb 0.14 -0.54 -0.16 0.00 -1.05 0.00 0.00 32.46 30.85 2afq n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2afq s TRP 51 N -0.03 2.12 -0.04 2.89 0.52 -1.23 -1.21 118.94 121.95 2afq s TRP 51 Ca 0.00 -0.64 0.04 0.00 0.02 0.00 0.00 56.10 55.52 2afq s TRP 51 Cb 0.00 -1.41 -0.00 0.00 -1.15 0.00 0.00 33.47 30.91 2afq s TRP 51 CO 0.00 -0.21 -0.17 0.08 0.02 0.00 0.00 176.95 176.67 2afq s VAL 52 N -0.03 1.41 -0.09 4.03 1.01 -0.39 -2.11 120.40 124.23 2afq s VAL 52 Ca -0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2afq s VAL 52 Cb -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2afq s VAL 52 CO 0.03 0.41 0.06 -0.22 0.00 0.00 0.00 175.10 175.38 2afq s LEU 53 N 0.00 3.91 0.00 3.92 2.96 0.17 -1.01 118.68 128.63 2afq s LEU 53 Ca -0.03 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2afq s LEU 53 Cb -0.11 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.64 2afq s LEU 53 CO 0.02 0.38 0.30 1.07 -1.32 0.00 0.00 176.35 176.80 2afq n THR 54 N 1.98 0.00 -3.40 3.68 5.66 -0.80 -0.84 114.28 120.56 2afq n THR 54 Ca -0.19 -0.68 -0.38 0.00 -3.05 0.00 0.00 64.05 59.75 2afq n THR 54 Cb 0.54 0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 69.76 2afq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2afq s ALA 55 N -1.86 3.61 0.36 1.79 0.00 -1.26 -1.47 121.76 122.93 2afq s ALA 55 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2afq s ALA 55 Cb -0.01 -2.51 0.67 0.00 0.00 0.00 0.00 23.12 21.26 2afq s ALA 55 CO 0.08 0.32 2.02 0.00 0.00 0.00 0.00 175.76 178.18 2afq h ALA 56 N 5.27 1.57 0.00 0.00 0.00 -1.71 -2.24 119.26 122.16 2afq h ALA 56 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2afq h ALA 56 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2afq h ALA 56 CO 0.66 0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.92 2afq n HIS 57 N -4.44 0.72 0.24 0.00 1.44 -1.26 -0.66 115.22 111.25 2afq n HIS 57 Ca 0.06 0.31 0.13 0.00 -2.01 0.00 0.00 57.72 56.21 2afq n HIS 57 Cb 0.04 -0.99 0.41 0.00 0.12 0.00 0.00 29.99 29.56 2afq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2afq n LEU 59 N -3.14 0.86 -3.84 0.00 4.77 -0.47 -4.95 117.00 110.23 2afq n LEU 59 Ca 0.02 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 2afq n LEU 59 Cb 0.44 0.04 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 2afq n LEU 59 CO 0.32 0.34 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.09 2afq s LEU 60 N -4.89 0.93 0.11 2.23 2.96 0.17 -2.01 118.68 118.19 2afq s LEU 60 Ca -0.07 -0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 53.45 2afq s LEU 60 Cb 0.03 -0.53 0.07 0.00 0.50 0.00 0.00 46.19 46.27 2afq s LEU 60 CO 0.31 -0.14 0.81 -0.47 -1.32 0.00 0.00 176.35 175.54 2afq s TYR 60 N 1.59 -0.32 0.00 5.38 5.04 0.02 -4.27 117.35 124.79 2afq s TYR 60 Ca -0.00 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 2afq s TYR 60 Cb -0.13 0.59 0.00 0.00 0.35 0.00 0.00 41.96 42.77 2afq s TYR 60 CO -0.04 -0.78 0.00 -2.30 -1.34 0.00 0.00 175.55 171.09 2afq n PRO 60 N -0.36 0.00 -0.54 4.97 -0.02 -1.26 -2.10 135.00 135.69 2afq n PRO 60 Ca -0.10 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.46 2afq n PRO 60 Cb 0.62 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.40 2afq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2afq n TRP 60 N 0.00 1.29 -3.51 6.00 8.01 -1.26 -4.92 117.44 123.05 2afq n TRP 60 Ca 0.00 -0.50 -0.25 0.00 -1.31 0.00 0.00 57.50 55.44 2afq n TRP 60 Cb 0.00 -0.25 0.04 0.00 -2.01 0.00 0.00 31.31 29.09 2afq n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2afq n ASP 60 N 0.80 -5.52 -4.47 -0.99 8.00 -1.19 -4.95 116.55 108.24 2afq n ASP 60 Ca 0.21 -0.53 -0.43 0.00 0.71 0.00 0.00 54.79 54.76 2afq n ASP 60 Cb 0.79 -4.41 -0.10 0.00 -0.02 0.00 0.00 41.12 37.38 2afq n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2afq s LYS 60 N -6.21 3.04 -0.45 -1.24 2.20 -0.89 -4.94 119.74 111.25 2afq s LYS 60 Ca 0.51 -0.95 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2afq s LYS 60 Cb -0.24 -3.96 0.24 0.00 -1.51 0.00 0.00 37.83 32.36 2afq s LYS 60 CO 0.64 -0.72 0.71 -1.71 -0.36 0.00 0.00 175.35 173.90 2afq n ASN 60 N 5.18 -1.56 -4.77 1.43 2.85 -1.24 -0.80 115.26 116.36 2afq n ASN 60 Ca -0.11 -3.00 -0.39 0.00 -0.11 0.00 0.00 54.58 50.97 2afq n ASN 60 Cb 0.47 0.71 -0.02 0.00 1.24 0.00 0.00 39.78 42.18 2afq n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2afq s PHE 60 N -0.10 3.11 0.48 1.20 0.08 -0.85 -5.05 117.98 116.84 2afq s PHE 60 Ca 0.33 1.53 0.07 0.00 0.12 0.00 0.00 56.93 58.98 2afq s PHE 60 Cb 0.19 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 2afq s PHE 60 CO -0.18 -1.42 0.37 0.95 -0.10 0.00 0.00 175.22 174.84 2afq s THR 60 N -1.29 2.15 0.27 0.64 -4.23 -1.26 -4.95 115.64 106.97 2afq s THR 60 Ca 0.53 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2afq s THR 60 Cb -0.34 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.15 2afq s THR 60 CO 0.43 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.97 2afq h GLU 61 N 0.95 0.71 0.00 3.99 3.07 -1.93 -2.42 114.58 118.95 2afq h GLU 61 Ca -0.39 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2afq h GLU 61 Cb 1.28 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2afq h GLU 61 CO 0.59 0.47 0.00 0.09 -1.40 0.00 0.00 179.01 178.76 2afq n ASN 62 N -4.79 0.00 0.09 1.42 3.02 -1.26 -3.33 115.26 110.40 2afq n ASN 62 Ca 0.18 -0.06 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 2afq n ASN 62 Cb 0.41 -0.30 0.30 0.00 -0.61 0.00 0.00 39.78 39.58 2afq n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2afq h ASP 63 N 0.00 0.00 -2.30 6.41 3.32 -1.83 -3.48 116.42 118.54 2afq h ASP 63 Ca 0.00 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.38 2afq h ASP 63 Cb 0.27 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.69 2afq h ASP 63 CO 0.00 0.04 -0.53 -0.76 -1.72 0.00 0.00 179.24 176.27 2afq s LEU 64 N -4.47 2.14 0.09 1.55 1.43 -1.21 -2.09 118.68 116.12 2afq s LEU 64 Ca 0.09 -1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 51.34 2afq s LEU 64 Cb 0.12 -0.35 0.06 0.00 0.03 0.00 0.00 46.19 46.05 2afq s LEU 64 CO 0.65 -0.85 0.54 -1.48 0.23 0.00 0.00 176.35 175.45 2afq s LEU 65 N -3.67 -0.22 -0.02 1.79 0.05 -0.75 -4.53 118.68 111.34 2afq s LEU 65 Ca 0.21 0.09 0.07 0.00 0.05 0.00 0.00 54.13 54.55 2afq s LEU 65 Cb 0.03 2.28 -0.02 0.00 -2.05 0.00 0.00 46.19 46.43 2afq s LEU 65 CO 0.12 -0.81 -0.22 0.68 -0.55 0.00 0.00 176.35 175.56 2afq s VAL 66 N -2.98 1.73 -0.10 1.48 -7.23 -0.54 -0.60 120.40 112.15 2afq s VAL 66 Ca -0.02 -0.93 -0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2afq s VAL 66 Cb -0.00 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 2afq s VAL 66 CO -0.06 0.49 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.01 2afq s ARG 67 N -0.51 3.08 0.01 4.82 0.52 -0.11 -1.15 118.95 125.61 2afq s ARG 67 Ca 0.08 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 2afq s ARG 67 Cb -0.08 -2.67 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 2afq s ARG 67 CO -0.01 0.47 -0.12 0.42 0.02 0.00 0.00 175.30 176.09 2afq s ILE 68 N -0.29 0.91 -0.08 1.52 1.01 0.24 -1.11 121.20 123.40 2afq s ILE 68 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2afq s ILE 68 Cb -0.13 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.54 2afq s ILE 68 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2afq n GLY 69 N 2.41 0.46 3.61 6.18 0.00 -1.26 -0.47 105.19 116.12 2afq n GLY 69 Ca -0.16 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2afq n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2afq s LYS 70 N -1.69 4.02 -0.09 1.61 2.20 -1.26 -3.89 119.74 120.64 2afq s LYS 70 Ca 0.00 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 2afq s LYS 70 Cb 0.00 -3.67 -0.25 0.00 -1.51 0.00 0.00 37.83 32.41 2afq s LYS 70 CO 0.00 -0.35 0.50 1.58 -0.36 0.00 0.00 175.35 176.72 2afq n HIS 71 N 5.49 1.13 -5.08 4.03 -0.00 -1.26 -4.87 115.22 114.66 2afq n HIS 71 Ca -0.06 0.31 -0.31 0.00 -0.00 0.00 0.00 57.72 57.66 2afq n HIS 71 Cb 0.50 -1.17 -0.15 0.00 -0.00 0.00 0.00 29.99 29.17 2afq n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2afq s SER 72 N -6.59 3.43 0.00 0.26 0.15 -1.26 -1.79 113.70 107.90 2afq s SER 72 Ca -0.14 -0.39 0.25 0.00 0.70 0.00 0.00 55.95 56.37 2afq s SER 72 Cb 0.07 -0.52 0.55 0.00 -1.71 0.00 0.00 66.02 64.42 2afq s SER 72 CO 0.80 0.32 1.44 -2.11 1.20 0.00 0.00 173.24 174.88 2afq n ARG 73 N 2.25 1.24 0.00 5.44 1.85 -0.31 -4.01 116.66 123.13 2afq n ARG 73 Ca -0.16 -0.86 0.09 0.00 -1.00 0.00 0.00 57.85 55.91 2afq n ARG 73 Cb 0.52 -1.48 0.02 0.00 -1.05 0.00 0.00 32.46 30.46 2afq n ARG 73 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2afq n THR 74 N -0.13 0.00 -3.71 8.89 -1.04 -1.26 -4.99 114.28 112.04 2afq n THR 74 Ca 0.13 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.05 61.63 2afq n THR 74 Cb 0.41 1.25 -0.09 0.00 -1.82 0.00 0.00 70.33 70.08 2afq n THR 74 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2afq s ARG 75 N -1.84 0.59 -0.01 -2.82 3.52 -1.26 -5.14 118.95 112.01 2afq s ARG 75 Ca 0.16 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.91 2afq s ARG 75 Cb 0.14 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.78 2afq s ARG 75 CO 0.37 -0.10 1.02 -0.47 -0.81 0.00 0.00 175.30 175.30 2afq s TYR 76 N -0.15 3.60 -0.98 5.12 5.04 -1.26 -4.63 117.35 124.09 2afq s TYR 76 Ca -0.03 1.62 -0.13 0.00 -2.44 0.00 0.00 57.07 56.08 2afq s TYR 76 Cb -0.03 -3.18 0.21 0.00 0.35 0.00 0.00 41.96 39.32 2afq s TYR 76 CO 0.02 -0.24 1.02 -1.21 -1.34 0.00 0.00 175.55 173.79 2afq s GLU 77 N 1.17 3.84 0.00 4.97 8.01 -1.26 -4.98 118.70 130.44 2afq s GLU 77 Ca 0.53 -2.58 0.00 0.00 0.01 0.00 0.00 54.97 52.93 2afq s GLU 77 Cb -0.22 -4.63 0.00 0.00 -4.31 0.00 0.00 34.13 24.97 2afq s GLU 77 CO 0.27 -1.42 0.00 2.89 0.01 0.00 0.00 175.26 177.01 2afq n ARG 77 N 4.27 0.00 -1.25 1.61 0.00 -1.26 -1.04 116.66 118.98 2afq n ARG 77 Ca 0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.76 2afq n ARG 77 Cb 0.45 0.00 0.10 0.00 -0.00 0.00 0.00 32.46 33.01 2afq n ARG 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2afq n ASN 78 N -0.99 6.44 0.08 2.89 3.02 -1.26 -4.59 115.26 120.86 2afq n ASN 78 Ca 0.00 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 2afq n ASN 78 Cb 0.00 -0.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 2afq n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2afq n ILE 79 N -0.87 0.17 -2.17 2.41 5.41 -0.21 -5.12 119.36 118.98 2afq n ILE 79 Ca 0.59 0.06 -0.32 0.00 1.00 0.00 0.00 62.75 64.08 2afq n ILE 79 Cb 0.94 -0.74 -0.01 0.00 -0.71 0.00 0.00 39.64 39.12 2afq n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2afq s GLU 80 N -2.00 3.71 0.09 0.38 -1.05 -1.07 -4.76 118.70 114.00 2afq s GLU 80 Ca 0.00 0.95 0.03 0.00 -0.15 0.00 0.00 54.97 55.80 2afq s GLU 80 Cb 0.00 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.56 2afq s GLU 80 CO 0.00 -0.47 -0.09 0.15 0.95 0.00 0.00 175.26 175.80 2afq s LYS 81 N -4.38 0.80 -0.00 -4.83 -0.14 0.39 -4.97 119.74 106.61 2afq s LYS 81 Ca 0.59 -1.13 0.05 0.00 -1.36 0.00 0.00 55.97 54.11 2afq s LYS 81 Cb -0.11 -0.46 -0.01 0.00 -1.68 0.00 0.00 37.83 35.56 2afq s LYS 81 CO 0.39 0.06 -0.14 -1.50 -0.76 0.00 0.00 175.35 173.40 2afq s ILE 82 N -2.46 1.13 0.04 2.17 2.07 -1.26 -0.59 121.20 122.29 2afq s ILE 82 Ca 0.04 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.61 2afq s ILE 82 Cb -0.03 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.58 2afq s ILE 82 CO -0.01 0.26 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.69 2afq s SER 83 N -0.49 0.51 0.41 4.50 0.15 -0.30 -5.00 113.70 113.48 2afq s SER 83 Ca 0.05 -0.61 0.02 0.00 0.70 0.00 0.00 55.95 56.10 2afq s SER 83 Cb -0.06 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2afq s SER 83 CO -0.00 -0.32 0.61 -0.04 1.20 0.00 0.00 173.24 174.68 2afq s MET 84 N -1.98 3.13 -0.16 5.44 1.00 -1.26 -1.47 119.30 124.00 2afq s MET 84 Ca -0.09 -0.59 -0.07 0.00 0.00 0.00 0.00 55.69 54.93 2afq s MET 84 Cb -0.07 -2.63 -0.04 0.00 0.00 0.00 0.00 34.83 32.09 2afq s MET 84 CO -0.02 -0.14 0.10 -0.51 0.00 0.00 0.00 175.02 174.45 2afq s LEU 85 N -4.44 4.09 -0.12 -0.03 1.43 -1.26 -2.09 118.68 116.26 2afq s LEU 85 Ca 0.46 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.65 2afq s LEU 85 Cb -0.10 -2.02 -0.26 0.00 0.03 0.00 0.00 46.19 43.85 2afq s LEU 85 CO 0.36 0.28 0.51 -0.08 0.23 0.00 0.00 176.35 177.64 2afq h GLU 86 N 5.95 0.19 -2.46 1.70 4.81 -0.31 -3.44 114.58 121.03 2afq h GLU 86 Ca -0.46 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 58.36 2afq h GLU 86 Cb 1.19 0.12 -0.20 0.00 0.63 0.00 0.00 28.75 30.49 2afq h GLU 86 CO 0.66 1.16 -0.03 0.21 -0.73 0.00 0.00 179.01 180.28 2afq s LYS 87 N -2.45 0.83 -0.10 1.92 2.20 -1.19 -4.96 119.74 115.99 2afq s LYS 87 Ca -0.21 0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2afq s LYS 87 Cb 0.04 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.72 2afq s LYS 87 CO 0.73 -0.22 -0.07 0.42 -0.36 0.00 0.00 175.35 175.85 2afq s ILE 88 N -0.90 3.63 -0.22 5.43 1.01 -1.26 -1.15 121.20 127.74 2afq s ILE 88 Ca -0.09 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2afq s ILE 88 Cb -0.03 -2.52 0.05 0.00 0.01 0.00 0.00 42.46 39.98 2afq s ILE 88 CO 0.06 0.56 -0.07 -0.31 0.00 0.00 0.00 174.94 175.18 2afq s TYR 89 N -0.33 2.39 -0.11 3.97 1.51 0.95 -4.99 117.35 120.74 2afq s TYR 89 Ca 0.05 -1.69 -0.12 0.00 -1.01 0.00 0.00 57.07 54.30 2afq s TYR 89 Cb -0.13 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 2afq s TYR 89 CO 0.02 -0.76 0.27 0.42 -1.11 0.00 0.00 175.55 174.39 2afq s ILE 90 N 1.40 5.30 0.08 2.71 -1.09 -1.26 -0.54 121.20 127.80 2afq s ILE 90 Ca -0.04 0.50 -0.34 0.00 -2.23 0.00 0.00 60.65 58.54 2afq s ILE 90 Cb -0.18 -3.58 -0.13 0.00 -1.58 0.00 0.00 42.46 37.00 2afq s ILE 90 CO -0.07 0.51 1.68 1.57 -1.23 0.00 0.00 174.94 177.40 2afq n HIS 91 N 2.64 2.30 0.28 3.97 -0.00 -1.03 -4.84 115.22 118.54 2afq n HIS 91 Ca -0.15 0.17 0.18 0.00 0.46 0.00 0.00 57.72 58.37 2afq n HIS 91 Cb 0.53 -2.59 0.96 0.00 -0.12 0.00 0.00 29.99 28.77 2afq n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2afq h PRO 92 N 7.06 0.00 -0.64 1.57 0.13 -1.95 -1.59 132.00 136.58 2afq h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2afq h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2afq h PRO 92 CO 0.91 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.22 2afq n ARG 93 N -3.55 2.57 -1.68 0.86 5.12 -1.26 -4.95 116.66 113.76 2afq n ARG 93 Ca -0.01 -2.32 -0.45 0.00 -1.93 0.00 0.00 57.85 53.13 2afq n ARG 93 Cb 0.18 -1.53 -0.04 0.00 -1.16 0.00 0.00 32.46 29.92 2afq n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2afq n TYR 94 N 1.34 2.44 -3.62 -1.55 9.36 -0.60 -4.71 117.16 119.80 2afq n TYR 94 Ca 0.22 -0.10 -0.37 0.00 3.32 0.00 0.00 57.90 60.96 2afq n TYR 94 Cb 0.56 -2.70 -0.07 0.00 -0.63 0.00 0.00 39.34 36.50 2afq n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2afq s ASN 95 N 3.52 5.90 0.31 2.98 3.84 -0.40 -4.87 114.94 126.23 2afq s ASN 95 Ca 0.88 -3.42 0.16 0.00 0.21 0.00 0.00 52.86 50.69 2afq s ASN 95 Cb -0.58 -1.93 0.25 0.00 -0.55 0.00 0.00 41.25 38.44 2afq s ASN 95 CO 0.44 -0.26 1.53 4.11 -2.79 0.00 0.00 177.10 180.13 2afq h TRP 96 N 6.42 0.00 0.00 0.43 5.08 -1.91 0.40 115.95 126.37 2afq h TRP 96 Ca 0.11 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.05 2afq h TRP 96 Cb 0.87 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.02 2afq h TRP 96 CO 0.74 0.45 -0.12 -0.09 -1.28 0.00 0.00 178.44 178.15 2afq h ARG 97 N 0.00 0.00 0.00 0.12 2.43 -2.00 -3.40 114.38 111.53 2afq h ARG 97 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2afq h ARG 97 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2afq h ARG 97 CO 0.06 0.12 -0.11 -1.91 -1.51 0.00 0.00 179.97 176.62 2afq n GLU 97 N -4.19 0.06 -0.14 0.20 2.13 -1.24 -5.01 120.64 112.45 2afq n GLU 97 Ca -0.02 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2afq n GLU 97 Cb 0.20 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.38 2afq n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2afq n ASN 98 N -3.44 0.00 -1.84 4.31 0.23 -1.19 -4.91 115.26 108.42 2afq n ASN 98 Ca -0.02 -1.25 -0.15 0.00 -0.53 0.00 0.00 54.58 52.63 2afq n ASN 98 Cb 0.06 -0.05 -0.00 0.00 -2.08 0.00 0.00 39.78 37.71 2afq n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2afq n LEU 99 N 0.00 -1.83 -4.78 -4.53 4.77 0.14 -4.95 117.00 105.82 2afq n LEU 99 Ca 0.00 -0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 2afq n LEU 99 Cb 0.55 -2.29 -0.00 0.00 -2.33 0.00 0.00 43.42 39.35 2afq n LEU 99 CO 0.00 -0.09 1.14 -0.62 -1.33 0.00 0.00 177.39 176.49 2afq s ASP 100 N -2.41 6.36 -1.19 -1.43 2.15 -1.18 -2.50 116.67 116.47 2afq s ASP 100 Ca 0.04 3.03 -0.03 0.00 0.43 0.00 0.00 52.55 56.03 2afq s ASP 100 Cb -0.02 -2.67 -0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2afq s ASP 100 CO 0.05 -0.87 0.89 0.54 -0.17 0.00 0.00 175.17 175.62 2afq n ARG 101 N 0.60 -4.93 -2.59 4.34 1.74 -1.26 -1.27 116.66 113.29 2afq n ARG 101 Ca 0.01 0.77 -0.43 0.00 -0.77 0.00 0.00 57.85 57.44 2afq n ARG 101 Cb 0.39 -5.58 -0.00 0.00 -1.02 0.00 0.00 32.46 26.25 2afq n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2afq s ASP 102 N -4.10 6.81 -0.02 0.55 2.15 -1.04 -4.34 116.67 116.68 2afq s ASP 102 Ca 0.13 -2.36 -0.18 0.00 0.43 0.00 0.00 52.55 50.56 2afq s ASP 102 Cb -0.02 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.05 2afq s ASP 102 CO 0.76 -1.20 0.38 -0.51 -0.17 0.00 0.00 175.17 174.44 2afq s ILE 103 N 4.25 0.05 0.01 4.11 2.07 -1.26 -3.85 121.20 126.57 2afq s ILE 103 Ca 0.53 -0.38 -0.17 0.00 -1.41 0.00 0.00 60.65 59.22 2afq s ILE 103 Cb 0.03 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.96 2afq s ILE 103 CO 0.06 -0.21 0.37 0.00 -1.91 0.00 0.00 174.94 173.25 2afq s ALA 104 N -1.30 -0.91 -0.03 1.50 0.00 -0.54 -2.48 121.76 118.00 2afq s ALA 104 Ca -0.13 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.25 2afq s ALA 104 Cb -0.04 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2afq s ALA 104 CO 0.05 -0.34 -0.22 -0.51 0.00 0.00 0.00 175.76 174.74 2afq s LEU 105 N -1.60 2.25 -0.09 0.00 1.43 0.30 -1.90 118.68 119.07 2afq s LEU 105 Ca -0.10 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2afq s LEU 105 Cb -0.03 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2afq s LEU 105 CO 0.02 0.32 -0.14 -0.04 0.23 0.00 0.00 176.35 176.74 2afq s MET 106 N -0.59 2.05 -0.19 1.70 -1.94 -0.18 -0.04 119.30 120.12 2afq s MET 106 Ca 0.09 -0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 53.43 2afq s MET 106 Cb -0.11 -1.73 -0.05 0.00 2.01 0.00 0.00 34.83 34.96 2afq s MET 106 CO -0.00 -0.03 0.25 0.21 -0.01 0.00 0.00 175.02 175.44 2afq s LYS 107 N 0.88 4.20 0.36 2.03 2.20 -0.30 -1.26 119.74 127.84 2afq s LYS 107 Ca -0.09 -0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.25 2afq s LYS 107 Cb -0.15 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.61 2afq s LYS 107 CO 0.01 0.17 0.99 -0.51 -0.36 0.00 0.00 175.35 175.65 2afq s LEU 108 N 0.69 4.25 0.22 5.43 1.43 -0.35 0.39 118.68 130.74 2afq s LEU 108 Ca 0.14 1.91 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 2afq s LEU 108 Cb -0.13 -4.10 0.18 0.00 0.03 0.00 0.00 46.19 42.17 2afq s LEU 108 CO 0.03 -0.24 1.86 0.11 0.23 0.00 0.00 176.35 178.34 2afq h LYS 109 N 2.87 1.13 -5.27 1.70 1.57 -1.71 -3.42 116.57 113.44 2afq h LYS 109 Ca -0.47 -0.11 -0.46 0.00 -1.87 0.00 0.00 60.65 57.74 2afq h LYS 109 Cb 1.20 -0.23 -0.27 0.00 0.08 0.00 0.00 32.23 33.01 2afq h LYS 109 CO 0.64 0.80 -0.80 0.15 -0.57 0.00 0.00 179.45 179.67 2afq s LYS 110 N -5.94 1.00 0.52 3.15 3.01 -1.26 -4.98 119.74 115.23 2afq s LYS 110 Ca -0.13 -0.63 -0.23 0.00 -1.01 0.00 0.00 55.97 53.97 2afq s LYS 110 Cb 0.16 -0.99 -0.06 0.00 -1.01 0.00 0.00 37.83 35.93 2afq s LYS 110 CO 0.81 0.26 1.37 -1.25 0.51 0.00 0.00 175.35 177.04 2afq s PRO 111 N -0.77 3.29 -0.11 -1.68 0.04 -1.26 -4.90 135.00 129.61 2afq s PRO 111 Ca 0.03 2.26 -0.10 0.00 0.04 0.00 0.00 61.00 63.23 2afq s PRO 111 Cb -0.07 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2afq s PRO 111 CO 0.00 -1.08 0.23 0.54 0.04 0.00 0.00 177.00 176.73 2afq s VAL 112 N -1.29 5.35 0.01 -0.36 0.11 0.36 -5.02 120.40 119.57 2afq s VAL 112 Ca 0.69 0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 59.85 2afq s VAL 112 Cb -0.41 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 2afq s VAL 112 CO 0.49 0.55 1.07 0.00 -3.33 0.00 0.00 175.10 173.89 2afq s ALA 113 N -0.65 3.28 0.65 1.54 0.00 -1.26 -4.76 121.76 120.56 2afq s ALA 113 Ca 0.17 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 2afq s ALA 113 Cb -0.13 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2afq s ALA 113 CO 0.06 -0.37 1.06 -0.06 0.00 0.00 0.00 175.76 176.44 2afq s PHE 114 N 1.19 3.06 0.00 0.00 0.08 -1.26 -4.88 117.98 116.18 2afq s PHE 114 Ca 0.54 1.46 0.00 0.00 0.12 0.00 0.00 56.93 59.06 2afq s PHE 114 Cb -0.24 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2afq s PHE 114 CO 0.27 -1.16 0.00 -1.13 -0.10 0.00 0.00 175.22 173.10 2afq n SER 115 N -2.63 0.00 0.27 1.36 3.41 -0.09 -4.93 113.62 111.02 2afq n SER 115 Ca 0.08 -0.45 0.16 0.00 -0.26 0.00 0.00 58.87 58.40 2afq n SER 115 Cb 0.53 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.13 2afq n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2afq h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -1.99 -3.14 116.42 118.65 2afq h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2afq h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2afq h ASP 116 CO 0.00 0.04 -0.31 -1.22 -1.72 0.00 0.00 179.24 176.03 2afq n TYR 117 N -3.15 0.00 -3.81 4.55 4.01 -1.26 -4.78 117.16 112.72 2afq n TYR 117 Ca 0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.47 2afq n TYR 117 Cb 0.33 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.19 2afq n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2afq s ILE 118 N -1.64 0.80 -0.19 -0.72 1.01 -1.19 -4.36 121.20 114.91 2afq s ILE 118 Ca 0.08 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 2afq s ILE 118 Cb 0.09 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.47 2afq s ILE 118 CO 0.33 -0.05 0.51 -2.28 0.00 0.00 0.00 174.94 173.45 2afq s HIS 119 N 1.75 -0.58 0.53 3.97 2.46 -0.72 -0.91 115.29 121.79 2afq s HIS 119 Ca -0.01 1.40 -0.19 0.00 0.47 0.00 0.00 55.06 56.73 2afq s HIS 119 Cb -0.16 0.21 -0.07 0.00 -0.13 0.00 0.00 32.58 32.43 2afq s HIS 119 CO -0.07 -0.28 1.09 -1.25 -2.47 0.00 0.00 174.74 171.75 2afq s PRO 120 N 0.37 3.51 0.33 2.88 0.04 -1.26 -2.30 135.00 138.57 2afq s PRO 120 Ca -0.01 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.53 2afq s PRO 120 Cb -0.04 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2afq s PRO 120 CO -0.01 -0.69 0.51 0.54 0.04 0.00 0.00 177.00 177.39 2afq s VAL 121 N -1.92 5.00 0.28 -0.36 0.11 -0.80 -4.91 120.40 117.80 2afq s VAL 121 Ca 0.70 -0.63 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 2afq s VAL 121 Cb -0.20 -3.81 -0.06 0.00 -1.53 0.00 0.00 36.38 30.78 2afq s VAL 121 CO 0.25 -0.46 0.57 0.00 -3.33 0.00 0.00 175.10 172.13 2afq s LEU 123 N -3.29 4.24 0.59 0.00 1.43 -1.26 -0.98 118.68 119.41 2afq s LEU 123 Ca 0.46 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.77 2afq s LEU 123 Cb -0.11 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2afq s LEU 123 CO 0.27 0.37 1.10 -2.16 0.23 0.00 0.00 176.35 176.16 2afq s PRO 124 N -0.81 3.20 0.48 1.29 0.04 -1.26 -4.94 135.00 133.00 2afq s PRO 124 Ca 0.14 1.42 0.08 0.00 0.04 0.00 0.00 61.00 62.68 2afq s PRO 124 Cb -0.12 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2afq s PRO 124 CO 0.03 -0.94 0.59 0.16 0.04 0.00 0.00 177.00 176.88 2afq s ASP 125 N -2.30 5.26 0.19 6.66 3.84 -1.26 -4.85 116.67 124.21 2afq s ASP 125 Ca 0.68 -0.70 -0.12 0.00 -0.00 0.00 0.00 52.55 52.40 2afq s ASP 125 Cb -0.20 -0.22 0.16 0.00 -1.38 0.00 0.00 42.92 41.28 2afq s ASP 125 CO 0.33 -0.97 1.78 -0.09 -0.00 0.00 0.00 175.17 176.23 2afq h ARG 126 N 0.57 0.47 -0.42 2.11 2.43 -1.97 -2.88 114.38 114.69 2afq h ARG 126 Ca -0.37 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 2afq h ARG 126 Cb 1.28 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 2afq h ARG 126 CO 0.47 0.31 0.25 0.93 -1.51 0.00 0.00 179.97 180.42 2afq h GLU 127 N 0.49 0.49 -1.18 0.20 5.08 -2.04 0.48 114.58 118.08 2afq h GLU 127 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2afq h GLU 127 Cb 0.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2afq h GLU 127 CO -0.19 0.32 0.00 2.41 -1.00 0.00 0.00 179.01 180.56 2afq n THR 128 N -4.85 0.23 0.00 1.13 -1.04 -1.09 -1.89 114.28 106.78 2afq n THR 128 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2afq n THR 128 Cb 0.06 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 2afq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2afq n ALA 129 N 0.64 0.00 0.03 2.41 0.00 0.16 -1.26 120.51 122.49 2afq n ALA 129 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2afq n ALA 129 Cb 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.48 2afq n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2afq h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.62 -3.40 113.55 113.16 2afq h SER 129 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2afq h SER 129 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2afq h SER 129 CO 0.00 0.93 -2.22 0.18 -0.87 0.00 0.00 176.83 174.85 2afq n LEU 129 N -3.17 0.00 -4.07 5.97 4.77 -0.39 -4.69 117.00 115.43 2afq n LEU 129 Ca -0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 2afq n LEU 129 Cb 0.96 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 42.38 2afq n LEU 129 CO 0.45 0.32 2.13 -0.11 -1.33 0.00 0.00 177.39 178.86 2afq n LEU 130 N -2.56 6.13 -4.11 2.23 -0.00 -1.26 -4.86 117.00 112.57 2afq n LEU 130 Ca -0.23 -4.28 -0.20 0.00 -0.00 0.00 0.00 56.01 51.31 2afq n LEU 130 Cb 0.94 -1.62 -0.14 0.00 -0.00 0.00 0.00 43.42 42.60 2afq n LEU 130 CO 0.43 0.91 -0.46 -1.10 -0.00 0.00 0.00 177.39 177.17 2afq s GLN 131 N 2.40 0.91 0.27 1.96 1.11 -1.26 -4.93 119.66 120.12 2afq s GLN 131 Ca 0.46 -0.63 -0.31 0.00 0.01 0.00 0.00 55.36 54.90 2afq s GLN 131 Cb 0.08 -0.89 -0.12 0.00 -1.01 0.00 0.00 33.01 31.06 2afq s GLN 131 CO -0.01 0.23 1.53 0.00 0.01 0.00 0.00 175.29 177.05 2afq n ALA 132 N 2.22 2.03 0.00 6.09 0.00 -1.26 -2.03 120.51 127.55 2afq n ALA 132 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2afq n ALA 132 Cb 0.55 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2afq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afq n GLY 133 N 2.21 2.99 3.76 0.00 0.00 0.12 -4.93 105.19 109.34 2afq n GLY 133 Ca 0.10 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2afq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2afq s TYR 134 N -2.23 3.17 0.05 1.61 1.51 -0.86 -4.54 117.35 116.05 2afq s TYR 134 Ca 0.00 1.40 -0.09 0.00 -1.01 0.00 0.00 57.07 57.37 2afq s TYR 134 Cb 0.00 -3.61 -0.05 0.00 -0.11 0.00 0.00 41.96 38.18 2afq s TYR 134 CO 0.00 -1.72 0.35 0.15 -1.11 0.00 0.00 175.55 173.22 2afq s LYS 135 N -1.33 3.69 0.41 -0.62 1.02 -1.26 -1.02 119.74 120.63 2afq s LYS 135 Ca 0.50 0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.61 2afq s LYS 135 Cb -0.38 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 2afq s LYS 135 CO 0.48 0.60 0.05 0.20 -0.92 0.00 0.00 175.35 175.76 2afq s GLY 136 N -1.72 2.56 -0.04 -3.33 0.00 0.49 -4.86 107.32 100.42 2afq s GLY 136 Ca 0.30 -1.47 0.06 0.00 0.00 0.00 0.00 44.72 43.61 2afq s GLY 136 CO 0.17 -1.99 -0.22 -1.60 0.00 0.00 0.00 173.10 169.46 2afq s ARG 137 N -3.80 2.13 -0.03 2.90 3.52 0.91 -0.57 118.95 124.01 2afq s ARG 137 Ca 0.25 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 55.10 2afq s ARG 137 Cb 0.06 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2afq s ARG 137 CO 0.12 0.38 -0.20 0.08 -0.81 0.00 0.00 175.30 174.87 2afq s VAL 138 N -0.23 1.63 0.04 7.11 1.01 -0.27 -0.73 120.40 128.97 2afq s VAL 138 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.22 2afq s VAL 138 Cb -0.12 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2afq s VAL 138 CO 0.02 0.46 -0.26 0.42 0.00 0.00 0.00 175.10 175.74 2afq s THR 139 N -0.24 2.07 0.00 3.92 -4.23 -1.25 -1.80 115.64 114.10 2afq s THR 139 Ca 0.02 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2afq s THR 139 Cb -0.10 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.97 2afq s THR 139 CO 0.01 0.35 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 2afq n GLY 140 N 1.79 1.35 3.50 3.99 0.00 -0.71 -4.69 105.19 110.43 2afq n GLY 140 Ca -0.17 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 2afq n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2afq s TRP 141 N -2.23 2.42 0.00 1.61 0.52 -1.26 -0.01 118.94 119.99 2afq s TRP 141 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 55.82 2afq s TRP 141 Cb 0.00 -1.12 0.00 0.00 -1.15 0.00 0.00 33.47 31.20 2afq s TRP 141 CO 0.00 0.61 0.00 0.41 0.02 0.00 0.00 176.95 177.99 2afq n GLY 142 N -0.32 1.85 0.30 0.98 0.00 -1.26 -1.60 105.19 105.13 2afq n GLY 142 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2afq n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2afq n PRO 152 N 0.00 0.00 -0.01 1.61 -0.04 -1.26 -4.75 135.00 130.55 2afq n PRO 152 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2afq n PRO 152 Cb 0.00 -0.30 -0.13 0.00 -0.04 0.00 0.00 33.50 33.04 2afq n PRO 152 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2afq n SER 153 N -2.98 1.05 -4.94 3.54 3.41 -1.26 -5.00 113.62 107.44 2afq n SER 153 Ca 0.00 -0.14 -0.24 0.00 -0.26 0.00 0.00 58.87 58.23 2afq n SER 153 Cb 0.36 1.66 0.01 0.00 -0.26 0.00 0.00 64.21 65.98 2afq n SER 153 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2afq s VAL 154 N -3.09 4.38 0.31 -3.33 -7.23 -1.26 -1.16 120.40 109.02 2afq s VAL 154 Ca -0.04 -0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 2afq s VAL 154 Cb 0.11 -3.63 -0.13 0.00 0.56 0.00 0.00 36.38 33.29 2afq s VAL 154 CO 0.70 -0.48 1.29 -0.11 -0.31 0.00 0.00 175.10 176.20 2afq n LEU 155 N -2.08 3.27 -4.74 1.32 7.94 -0.74 -4.70 117.00 117.25 2afq n LEU 155 Ca 0.00 1.19 -0.30 0.00 -1.11 0.00 0.00 56.01 55.79 2afq n LEU 155 Cb 0.57 -1.45 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 2afq n LEU 155 CO 0.49 -0.57 -0.28 -1.10 -1.11 0.00 0.00 177.39 174.81 2afq s GLN 156 N -1.47 2.75 0.02 1.96 -1.52 0.98 -0.85 119.66 121.53 2afq s GLN 156 Ca 0.59 -0.79 0.02 0.00 -1.95 0.00 0.00 55.36 53.24 2afq s GLN 156 Cb -0.60 -2.63 -0.01 0.00 -0.22 0.00 0.00 33.01 29.54 2afq s GLN 156 CO 0.59 0.54 -0.08 0.54 -0.25 0.00 0.00 175.29 176.63 2afq s VAL 157 N -1.43 0.59 -0.07 1.09 0.11 -0.05 -1.74 120.40 118.90 2afq s VAL 157 Ca 0.28 -0.62 -0.05 0.00 -2.93 0.00 0.00 61.98 58.66 2afq s VAL 157 Cb -0.12 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2afq s VAL 157 CO 0.21 -0.05 0.17 0.54 -3.33 0.00 0.00 175.10 172.65 2afq s VAL 158 N -0.63 -0.02 -0.20 2.04 0.11 -0.75 -1.48 120.40 119.47 2afq s VAL 158 Ca -0.02 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 2afq s VAL 158 Cb -0.06 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2afq s VAL 158 CO 0.00 0.03 0.09 0.20 -3.33 0.00 0.00 175.10 172.09 2afq s ASN 159 N 0.52 5.76 0.01 3.54 0.01 -1.26 -1.11 114.94 122.41 2afq s ASN 159 Ca -0.04 0.08 0.03 0.00 -0.71 0.00 0.00 52.86 52.23 2afq s ASN 159 Cb -0.05 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.59 2afq s ASN 159 CO -0.03 0.14 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.84 2afq s LEU 160 N 0.59 2.09 0.23 0.60 1.43 0.27 -4.93 118.68 118.96 2afq s LEU 160 Ca 0.05 -0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 2afq s LEU 160 Cb -0.13 -0.49 -0.09 0.00 0.03 0.00 0.00 46.19 45.52 2afq s LEU 160 CO 0.01 0.06 0.83 -2.16 0.23 0.00 0.00 176.35 175.32 2afq s PRO 161 N -0.65 4.55 0.27 1.29 0.04 -1.26 -0.38 135.00 138.85 2afq s PRO 161 Ca 0.02 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 2afq s PRO 161 Cb -0.06 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 2afq s PRO 161 CO 0.00 0.45 1.18 0.42 0.04 0.00 0.00 177.00 179.10 2afq s ILE 162 N -1.35 3.30 -0.01 0.56 1.01 -0.19 -1.13 121.20 123.39 2afq s ILE 162 Ca 0.42 1.24 -0.03 0.00 0.00 0.00 0.00 60.65 62.27 2afq s ILE 162 Cb -0.21 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2afq s ILE 162 CO 0.25 0.27 0.19 -0.69 0.00 0.00 0.00 174.94 174.96 2afq s VAL 163 N -0.85 5.43 0.41 2.92 1.01 -0.20 -0.70 120.40 128.41 2afq s VAL 163 Ca 0.48 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 2afq s VAL 163 Cb -0.34 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2afq s VAL 163 CO 0.43 0.34 1.34 -0.62 0.00 0.00 0.00 175.10 176.60 2afq n GLU 164 N 1.01 2.15 -0.29 2.72 -0.58 -1.26 -4.64 120.64 119.76 2afq n GLU 164 Ca -0.11 0.76 -0.00 0.00 -0.42 0.00 0.00 57.16 57.39 2afq n GLU 164 Cb 0.53 -2.47 0.13 0.00 -0.57 0.00 0.00 31.44 29.05 2afq n GLU 164 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2afq h ARG 165 N 2.35 0.88 -0.40 3.49 3.08 -1.97 -1.64 114.38 120.17 2afq h ARG 165 Ca -0.49 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 2afq h ARG 165 Cb 1.28 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2afq h ARG 165 CO 0.61 0.58 0.08 -1.35 -1.07 0.00 0.00 179.97 178.82 2afq h PRO 166 N 0.90 0.59 -0.30 0.04 0.11 -2.00 -1.99 132.00 129.36 2afq h PRO 166 Ca 0.35 -0.11 -0.17 0.00 0.11 0.00 0.00 66.00 66.18 2afq h PRO 166 Cb 0.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 2afq h PRO 166 CO -0.17 0.56 -0.50 0.28 -0.21 0.00 0.00 178.00 177.96 2afq h VAL 167 N 0.58 1.28 -0.29 3.15 2.07 -1.80 -2.30 116.25 118.93 2afq h VAL 167 Ca 0.13 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2afq h VAL 167 Cb 0.25 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2afq h VAL 167 CO 0.00 0.55 0.18 0.00 0.02 0.00 0.00 177.57 178.32 2afq h LYS 169 N 0.37 0.47 0.00 0.00 1.57 -1.32 -2.69 116.57 114.97 2afq h LYS 169 Ca 0.10 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2afq h LYS 169 Cb -0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2afq h LYS 169 CO -0.02 0.46 -0.53 -0.44 -0.57 0.00 0.00 179.45 178.35 2afq h ASP 170 N 0.46 0.00 0.21 0.86 3.45 -1.14 -3.20 116.42 117.05 2afq h ASP 170 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2afq h ASP 170 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 2afq h ASP 170 CO 0.00 0.53 0.00 -1.20 -1.57 0.00 0.00 179.24 177.00 2afq n SER 171 N -3.66 0.00 -3.95 6.45 7.64 -0.98 -4.88 113.62 114.25 2afq n SER 171 Ca -0.01 -0.63 -0.08 0.00 1.01 0.00 0.00 58.87 59.16 2afq n SER 171 Cb 0.59 -0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 2afq n SER 171 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2afq s THR 172 N -2.22 0.16 -0.82 0.44 -1.32 -1.21 -4.70 115.64 105.96 2afq s THR 172 Ca 0.39 -1.43 0.24 0.00 -1.21 0.00 0.00 61.69 59.68 2afq s THR 172 Cb 0.20 -1.48 -0.05 0.00 -1.51 0.00 0.00 72.50 69.66 2afq s THR 172 CO 0.39 -0.71 1.23 -2.11 -2.21 0.00 0.00 174.62 171.21 2afq n ARG 173 N -0.03 0.14 -2.36 7.08 1.85 -1.26 -4.91 116.66 117.16 2afq n ARG 173 Ca -0.13 0.01 -0.40 0.00 -1.00 0.00 0.00 57.85 56.33 2afq n ARG 173 Cb 0.62 -1.56 -0.04 0.00 -1.05 0.00 0.00 32.46 30.44 2afq n ARG 173 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2afq s ILE 174 N -3.09 3.25 -0.33 8.89 -1.09 -1.26 -4.98 121.20 122.60 2afq s ILE 174 Ca 0.08 1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 59.45 2afq s ILE 174 Cb 0.16 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 37.26 2afq s ILE 174 CO 0.75 0.28 1.26 -0.60 -1.23 0.00 0.00 174.94 175.41 2afq s ARG 175 N -1.62 3.89 -0.22 2.79 3.52 -1.26 -5.00 118.95 121.06 2afq s ARG 175 Ca 0.47 1.13 -0.22 0.00 -0.13 0.00 0.00 55.73 56.98 2afq s ARG 175 Cb -0.34 -3.87 -0.02 0.00 -1.56 0.00 0.00 34.95 29.16 2afq s ARG 175 CO 0.44 -1.15 0.67 0.42 -0.81 0.00 0.00 175.30 174.87 2afq s ILE 176 N 4.36 4.97 0.60 4.11 -1.09 -1.26 -4.90 121.20 128.00 2afq s ILE 176 Ca 0.54 1.26 0.05 0.00 -2.23 0.00 0.00 60.65 60.27 2afq s ILE 176 Cb -0.15 -3.98 0.08 0.00 -1.58 0.00 0.00 42.46 36.83 2afq s ILE 176 CO 0.23 0.06 0.83 0.42 -1.23 0.00 0.00 174.94 175.25 2afq s THR 177 N 2.21 2.34 -1.06 2.92 -4.23 -1.26 -4.99 115.64 111.58 2afq s THR 177 Ca 0.30 -0.81 0.17 0.00 -1.18 0.00 0.00 61.69 60.16 2afq s THR 177 Cb -0.16 -2.53 0.16 0.00 1.34 0.00 0.00 72.50 71.31 2afq s THR 177 CO 0.10 0.00 1.53 0.47 -0.54 0.00 0.00 174.62 176.17 2afq n ASP 178 N -2.40 0.00 -1.09 3.99 8.00 -1.26 -2.37 116.55 121.41 2afq n ASP 178 Ca 0.13 0.44 0.05 0.00 0.71 0.00 0.00 54.79 56.12 2afq n ASP 178 Cb 0.61 -0.47 0.22 0.00 -0.02 0.00 0.00 41.12 41.46 2afq n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2afq n ASN 179 N -1.47 3.15 -4.15 -2.24 3.02 -1.26 -4.89 115.26 107.42 2afq n ASN 179 Ca 0.05 -2.30 -0.10 0.00 -0.03 0.00 0.00 54.58 52.20 2afq n ASN 179 Cb 0.19 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 2afq n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2afq s MET 180 N -1.76 0.82 0.18 3.52 -1.94 -1.00 -0.71 119.30 118.41 2afq s MET 180 Ca 0.31 -1.34 -0.15 0.00 -1.71 0.00 0.00 55.69 52.80 2afq s MET 180 Cb 0.20 -0.02 0.02 0.00 2.01 0.00 0.00 34.83 37.04 2afq s MET 180 CO 0.14 -0.10 0.45 -0.59 -0.01 0.00 0.00 175.02 174.92 2afq s PHE 181 N -3.78 0.00 0.11 -0.03 -0.12 -0.78 -4.82 117.98 108.56 2afq s PHE 181 Ca 0.14 -0.35 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 2afq s PHE 181 Cb 0.07 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 2afq s PHE 181 CO -0.04 -0.84 -0.10 0.00 -0.05 0.00 0.00 175.22 174.18 2afq s ALA 183 N -2.73 -0.06 0.00 0.00 0.00 -0.84 -1.03 121.76 117.10 2afq s ALA 183 Ca 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2afq s ALA 183 Cb -0.01 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.65 2afq s ALA 183 CO -0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2afq n GLY 184 N -0.07 4.43 3.84 0.00 0.00 -0.28 -2.26 105.19 110.85 2afq n GLY 184 Ca -0.13 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 2afq n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2afq s TYR 184 N -2.01 3.38 0.44 1.61 2.02 -1.26 -4.59 117.35 116.95 2afq s TYR 184 Ca 0.00 1.41 -0.24 0.00 -0.37 0.00 0.00 57.07 57.86 2afq s TYR 184 Cb 0.00 -2.71 -0.08 0.00 -0.40 0.00 0.00 41.96 38.77 2afq s TYR 184 CO 0.00 -0.13 1.26 0.15 -1.57 0.00 0.00 175.55 175.26 2afq s LYS 185 N -3.46 3.80 0.00 -0.62 1.02 -1.26 -4.93 119.74 114.28 2afq s LYS 185 Ca 0.58 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.61 2afq s LYS 185 Cb -0.10 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2afq s LYS 185 CO 0.21 -0.60 0.41 -2.30 -0.92 0.00 0.00 175.35 172.15 2afq n PRO 186 N -0.21 0.00 -4.29 -1.68 -0.02 -1.26 -5.17 135.00 122.37 2afq n PRO 186 Ca 0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 2afq n PRO 186 Cb 0.45 -0.65 -0.15 0.00 -0.02 0.00 0.00 33.50 33.13 2afq n PRO 186 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2afq s ARG 187 N 2.28 3.18 0.00 -0.52 3.52 -1.26 -5.24 118.95 120.90 2afq s ARG 187 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2afq s ARG 187 Cb 0.00 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 2afq s ARG 187 CO 0.00 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 2afq n GLY 188 N 4.37 3.98 3.20 8.12 0.00 -1.26 -4.98 105.19 118.62 2afq n GLY 188 Ca -0.19 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 2afq n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2afq s ASP 189 N 0.00 -0.04 -0.07 1.61 1.11 -0.48 -4.67 116.67 114.13 2afq s ASP 189 Ca 0.00 -0.24 -0.03 0.00 0.18 0.00 0.00 52.55 52.46 2afq s ASP 189 Cb 0.00 0.30 -0.04 0.00 1.07 0.00 0.00 42.92 44.25 2afq s ASP 189 CO 0.00 -0.53 0.08 0.00 1.18 0.00 0.00 175.17 175.90 2afq s ALA 190 N -2.23 3.61 0.46 5.23 0.00 -1.26 -1.44 121.76 126.13 2afq s ALA 190 Ca -0.08 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2afq s ALA 190 Cb -0.02 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2afq s ALA 190 CO -0.02 0.63 0.01 0.00 0.00 0.00 0.00 175.76 176.39 2afq h GLU 192 N 1.56 0.38 0.00 0.00 4.57 -1.89 0.10 114.58 119.30 2afq h GLU 192 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2afq h GLU 192 Cb 1.28 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2afq h GLU 192 CO 0.76 0.25 0.00 0.78 -1.18 0.00 0.00 179.01 179.63 2afq h GLY 193 N 0.39 0.00 -0.31 1.92 0.00 -1.96 -2.27 103.07 100.84 2afq h GLY 193 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2afq h GLY 193 CO -0.07 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.69 2afq n ASP 194 N -2.64 1.30 -4.43 0.19 8.00 0.36 -4.73 116.55 114.60 2afq n ASP 194 Ca 0.00 -1.47 -0.47 0.00 0.71 0.00 0.00 54.79 53.57 2afq n ASP 194 Cb 0.20 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 2afq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2afq n SER 195 N 0.03 -0.88 0.00 -2.24 7.64 -0.85 -1.97 113.62 115.34 2afq n SER 195 Ca 0.19 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2afq n SER 195 Cb 0.31 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2afq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2afq n GLY 196 N 1.87 3.05 3.79 0.23 0.00 -0.28 -1.12 105.19 112.72 2afq n GLY 196 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2afq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2afq s GLY 197 N -1.66 1.65 0.28 -0.02 0.00 -0.83 -3.24 107.32 103.51 2afq s GLY 197 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.60 2afq s GLY 197 CO 0.00 0.42 0.73 2.56 0.00 0.00 0.00 173.10 176.80 2afq s PRO 198 N -5.02 4.08 -0.31 2.90 0.04 -1.26 -1.37 135.00 134.06 2afq s PRO 198 Ca 0.60 0.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 2afq s PRO 198 Cb -0.16 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.83 2afq s PRO 198 CO 0.55 0.24 0.05 0.12 0.04 0.00 0.00 177.00 178.01 2afq s PHE 199 N -1.82 3.22 0.22 0.56 2.19 -0.49 -3.92 117.98 117.94 2afq s PHE 199 Ca 0.50 -1.51 0.10 0.00 0.33 0.00 0.00 56.93 56.35 2afq s PHE 199 Cb -0.12 -2.19 -0.04 0.00 -1.31 0.00 0.00 43.02 39.35 2afq s PHE 199 CO 0.19 -0.73 -0.09 0.14 1.83 0.00 0.00 175.22 176.56 2afq s VAL 200 N 1.36 3.15 -0.00 3.12 -7.23 0.09 -1.30 120.40 119.59 2afq s VAL 200 Ca -0.02 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2afq s VAL 200 Cb -0.19 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.15 2afq s VAL 200 CO 0.01 -0.22 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.51 2afq s MET 201 N -3.14 0.23 -0.17 4.82 -1.94 -0.21 -0.07 119.30 118.82 2afq s MET 201 Ca 0.27 -0.09 -0.17 0.00 -1.71 0.00 0.00 55.69 53.99 2afq s MET 201 Cb -0.08 -0.22 -0.04 0.00 2.01 0.00 0.00 34.83 36.50 2afq s MET 201 CO 0.16 0.05 0.44 0.21 -0.01 0.00 0.00 175.02 175.88 2afq s LYS 202 N -0.04 4.25 0.07 2.03 2.20 -1.26 -0.90 119.74 126.09 2afq s LYS 202 Ca 0.01 0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 55.64 2afq s LYS 202 Cb -0.01 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 2afq s LYS 202 CO -0.00 0.04 1.19 0.45 -0.36 0.00 0.00 175.35 176.67 2afq s SER 203 N 0.85 7.09 0.07 1.43 0.15 -0.11 -4.91 113.70 118.27 2afq s SER 203 Ca 0.22 2.02 0.28 0.00 0.70 0.00 0.00 55.95 59.17 2afq s SER 203 Cb -0.15 -2.58 1.10 0.00 -1.71 0.00 0.00 66.02 62.68 2afq s SER 203 CO 0.09 -0.46 1.88 -0.81 1.20 0.00 0.00 173.24 175.14 2afq n PRO 204 N 3.84 0.08 0.09 5.44 -0.04 -1.26 -0.90 135.00 142.25 2afq n PRO 204 Ca 0.09 0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 2afq n PRO 204 Cb 0.46 -1.59 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 2afq n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2afq h PHE 204 N 0.00 0.76 0.00 0.54 0.04 -1.97 -3.41 116.94 112.91 2afq h PHE 204 Ca 0.00 -0.56 0.00 0.00 2.80 0.00 0.00 57.97 60.21 2afq h PHE 204 Cb 0.57 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2afq h PHE 204 CO 0.00 1.61 0.00 0.27 -0.60 0.00 0.00 178.31 179.59 2afq n ASN 204 N -3.61 0.70 -2.40 2.17 2.04 -1.25 -5.03 115.26 107.89 2afq n ASN 204 Ca -0.22 -1.31 -0.14 0.00 -0.44 0.00 0.00 54.58 52.47 2afq n ASN 204 Cb 1.08 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 38.32 2afq n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2afq n ASN 205 N -0.16 -4.37 -4.89 0.53 5.03 -0.08 -4.99 115.26 106.34 2afq n ASN 205 Ca 0.00 0.15 -0.30 0.00 0.87 0.00 0.00 54.58 55.30 2afq n ASN 205 Cb 0.35 -3.70 -0.04 0.00 -1.02 0.00 0.00 39.78 35.37 2afq n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2afq s ARG 206 N -4.98 3.28 -0.03 3.52 0.52 -1.26 -4.80 118.95 115.21 2afq s ARG 206 Ca 0.00 -0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 54.50 2afq s ARG 206 Cb 0.00 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 2afq s ARG 206 CO 0.00 0.58 0.44 -1.58 0.02 0.00 0.00 175.30 174.75 2afq s TRP 207 N -1.54 3.67 -0.02 -0.53 0.52 -1.26 -0.93 118.94 118.84 2afq s TRP 207 Ca 0.33 0.98 0.06 0.00 0.02 0.00 0.00 56.10 57.50 2afq s TRP 207 Cb -0.12 -2.39 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 2afq s TRP 207 CO 0.26 0.49 -0.21 0.71 0.02 0.00 0.00 176.95 178.22 2afq s TYR 208 N -0.54 1.93 -0.50 -1.98 2.02 -0.07 -2.45 117.35 115.76 2afq s TYR 208 Ca 0.25 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.35 2afq s TYR 208 Cb -0.16 -1.25 0.04 0.00 -0.40 0.00 0.00 41.96 40.19 2afq s TYR 208 CO 0.13 -0.05 0.72 -1.14 -1.57 0.00 0.00 175.55 173.64 2afq s GLN 209 N -0.46 3.23 -0.00 -0.62 0.74 -0.15 -1.05 119.66 121.36 2afq s GLN 209 Ca 0.07 -0.55 0.14 0.00 0.05 0.00 0.00 55.36 55.07 2afq s GLN 209 Cb -0.09 -4.04 -0.20 0.00 1.10 0.00 0.00 33.01 29.79 2afq s GLN 209 CO -0.00 -1.23 0.74 0.52 -0.55 0.00 0.00 175.29 174.77 2afq h MET 210 N 9.04 0.00 -4.53 1.67 2.86 -1.53 -3.39 114.93 119.05 2afq h MET 210 Ca -0.26 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.11 2afq h MET 210 Cb 1.09 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.61 2afq h MET 210 CO 0.98 0.44 -0.52 0.20 1.06 0.00 0.00 176.91 179.07 2afq s GLY 211 N -4.99 1.53 -0.06 8.32 0.00 -0.88 -1.72 107.32 109.53 2afq s GLY 211 Ca -0.04 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.01 2afq s GLY 211 CO 0.82 -1.32 -0.07 -0.42 0.00 0.00 0.00 173.10 172.11 2afq s ILE 212 N -3.94 0.75 -0.09 0.90 1.01 -1.09 -1.39 121.20 117.34 2afq s ILE 212 Ca 0.37 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 2afq s ILE 212 Cb 0.05 -0.74 -0.07 0.00 0.01 0.00 0.00 42.46 41.70 2afq s ILE 212 CO 0.15 0.28 2.09 0.52 0.00 0.00 0.00 174.94 177.98 2afq n VAL 213 N 4.08 0.57 -0.09 2.92 0.31 -0.47 -1.01 118.33 124.64 2afq n VAL 213 Ca -0.23 -0.29 -0.22 0.00 -0.01 0.00 0.00 64.34 63.60 2afq n VAL 213 Cb 0.51 -2.41 -0.12 0.00 -0.91 0.00 0.00 33.84 30.91 2afq n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2afq n SER 214 N 9.45 2.01 -3.58 4.52 2.88 -0.06 -1.13 113.62 127.70 2afq n SER 214 Ca 0.25 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.82 2afq n SER 214 Cb 0.42 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 63.14 2afq n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2afq s TRP 215 N -2.51 -0.32 -0.05 0.66 -2.14 -1.07 -4.92 118.94 108.58 2afq s TRP 215 Ca -0.31 0.54 0.06 0.00 2.66 0.00 0.00 56.10 59.06 2afq s TRP 215 Cb 0.09 0.46 -0.01 0.00 -3.10 0.00 0.00 33.47 30.91 2afq s TRP 215 CO 0.63 -0.31 -0.25 0.20 -2.66 0.00 0.00 176.95 174.56 2afq s GLY 216 N -1.15 1.29 0.00 3.67 0.00 -1.26 -0.67 107.32 109.20 2afq s GLY 216 Ca -0.00 -1.06 0.17 0.00 0.00 0.00 0.00 44.72 43.83 2afq s GLY 216 CO 0.00 -0.68 1.05 1.18 0.00 0.00 0.00 173.10 174.65 2afq n GLU 217 N 2.89 1.42 0.00 2.90 1.02 -0.63 -4.47 120.64 123.77 2afq n GLU 217 Ca -0.17 -1.55 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 2afq n GLU 217 Cb 0.52 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2afq n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2afq n GLY 218 N 0.94 2.61 6.32 0.62 0.00 -1.26 -0.11 105.19 114.32 2afq n GLY 218 Ca 0.10 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2afq n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afq n ASP 221 N 6.28 1.54 -4.25 0.00 5.68 -1.26 -4.85 116.55 119.70 2afq n ASP 221 Ca 0.00 -1.93 -0.14 0.00 -0.50 0.00 0.00 54.79 52.22 2afq n ASP 221 Cb 0.00 -0.18 -0.10 0.00 -1.14 0.00 0.00 41.12 39.70 2afq n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2afq s ARG 221 N -1.65 1.07 -0.05 0.11 1.81 -0.88 -5.05 118.95 114.31 2afq s ARG 221 Ca 0.22 -1.48 0.04 0.00 -1.72 0.00 0.00 55.73 52.80 2afq s ARG 221 Cb 0.12 -0.49 0.21 0.00 -0.45 0.00 0.00 34.95 34.34 2afq s ARG 221 CO 0.16 -0.00 0.92 -0.25 -0.68 0.00 0.00 175.30 175.44 2afq n ASP 222 N -0.21 1.97 -2.24 0.23 8.00 -1.26 -4.39 116.55 118.65 2afq n ASP 222 Ca -0.09 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.22 2afq n ASP 222 Cb 0.62 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2afq n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2afq n GLY 223 N 0.33 -1.34 0.65 0.44 0.00 0.85 -4.99 105.19 101.12 2afq n GLY 223 Ca 0.07 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 2afq n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2afq n LYS 224 N -0.95 0.23 -4.50 1.61 5.02 -1.25 -4.35 118.16 113.97 2afq n LYS 224 Ca 0.00 0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 56.08 2afq n LYS 224 Cb 0.00 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 2afq n LYS 224 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2afq s TYR 225 N -2.32 1.95 0.06 2.13 1.51 -1.26 -4.60 117.35 114.81 2afq s TYR 225 Ca -0.14 -0.87 0.03 0.00 -1.01 0.00 0.00 57.07 55.09 2afq s TYR 225 Cb 0.03 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 2afq s TYR 225 CO 0.19 0.10 0.03 0.20 -1.11 0.00 0.00 175.55 174.96 2afq s GLY 226 N -3.95 1.95 -0.02 0.71 0.00 -0.96 -1.61 107.32 103.44 2afq s GLY 226 Ca 0.18 -1.02 0.07 0.00 0.00 0.00 0.00 44.72 43.94 2afq s GLY 226 CO 0.10 -0.97 -0.22 -1.36 0.00 0.00 0.00 173.10 170.65 2afq s PHE 227 N -1.27 2.46 0.08 1.90 0.40 0.15 -1.98 117.98 119.71 2afq s PHE 227 Ca 0.25 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 2afq s PHE 227 Cb -0.12 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 2afq s PHE 227 CO 0.17 0.06 -0.18 0.71 0.70 0.00 0.00 175.22 176.68 2afq s TYR 228 N -0.68 1.55 0.12 0.36 1.51 0.39 -0.88 117.35 119.72 2afq s TYR 228 Ca 0.11 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.45 2afq s TYR 228 Cb -0.10 -0.88 -0.07 0.00 -0.11 0.00 0.00 41.96 40.80 2afq s TYR 228 CO 0.00 0.12 1.18 0.99 -1.11 0.00 0.00 175.55 176.74 2afq s THR 229 N -1.09 3.85 -0.82 -0.71 2.01 -0.18 -1.86 115.64 116.85 2afq s THR 229 Ca 0.04 1.44 -0.26 0.00 0.31 0.00 0.00 61.69 63.22 2afq s THR 229 Cb -0.09 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.53 2afq s THR 229 CO 0.03 0.17 1.31 -2.28 -0.69 0.00 0.00 174.62 173.17 2afq s HIS 230 N 0.49 2.37 0.18 4.92 2.46 0.11 -2.68 115.29 123.13 2afq s HIS 230 Ca 0.55 -0.30 -0.14 0.00 0.47 0.00 0.00 55.06 55.65 2afq s HIS 230 Cb -0.31 -4.63 0.13 0.00 -0.13 0.00 0.00 32.58 27.64 2afq s HIS 230 CO 0.32 -2.02 1.76 0.28 -2.47 0.00 0.00 174.74 172.62 2afq h VAL 231 N 6.24 0.90 -0.90 0.89 2.07 -1.64 -2.75 116.25 121.06 2afq h VAL 231 Ca -0.14 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2afq h VAL 231 Cb 1.04 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2afq h VAL 231 CO 1.32 0.07 0.57 0.15 0.02 0.00 0.00 177.57 179.70 2afq h PHE 232 N 0.40 1.06 -0.06 1.57 3.57 -1.86 -1.57 116.94 120.06 2afq h PHE 232 Ca 0.22 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2afq h PHE 232 Cb 0.18 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2afq h PHE 232 CO -0.13 0.58 0.08 0.00 -2.23 0.00 0.00 178.31 176.61 2afq h ARG 233 N 1.07 0.00 -0.32 1.11 2.47 -1.87 -2.03 114.38 114.82 2afq h ARG 233 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2afq h ARG 233 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2afq h ARG 233 CO -0.15 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.66 2afq n LEU 234 N -3.60 2.90 0.04 3.04 4.77 -0.64 -4.68 117.00 118.83 2afq n LEU 234 Ca -0.02 -2.04 0.06 0.00 -0.03 0.00 0.00 56.01 53.99 2afq n LEU 234 Cb 0.17 -0.23 0.49 0.00 -2.33 0.00 0.00 43.42 41.52 2afq n LEU 234 CO 0.25 0.71 1.15 0.50 -1.33 0.00 0.00 177.39 178.67 2afq h LYS 235 N 1.87 0.39 -0.66 3.23 3.64 -0.83 -2.33 116.57 121.88 2afq h LYS 235 Ca 0.00 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2afq h LYS 235 Cb 0.74 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2afq h LYS 235 CO 0.01 0.26 0.42 0.87 -2.27 0.00 0.00 179.45 178.73 2afq h LYS 236 N 0.40 0.80 -0.35 1.90 1.57 -1.83 -0.85 116.57 118.21 2afq h LYS 236 Ca 0.14 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2afq h LYS 236 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2afq h LYS 236 CO -0.03 0.53 0.07 2.35 -0.57 0.00 0.00 179.45 181.80 2afq h TRP 237 N 0.83 0.62 -0.09 -1.35 7.01 -1.79 -1.52 115.95 119.65 2afq h TRP 237 Ca 0.26 -0.08 0.04 0.00 2.11 0.00 0.00 58.89 61.21 2afq h TRP 237 Cb -0.02 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 26.83 2afq h TRP 237 CO -0.04 0.63 -0.19 0.82 -2.79 0.00 0.00 178.44 176.87 2afq h ILE 238 N 0.42 0.52 -0.72 2.65 2.04 -1.16 -1.44 117.51 119.83 2afq h ILE 238 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2afq h ILE 238 Cb 0.34 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2afq h ILE 238 CO 0.01 0.00 0.45 1.56 0.00 0.00 0.00 178.15 180.17 2afq h GLN 239 N -0.26 0.97 -0.34 2.37 4.20 -1.08 -2.26 115.11 118.69 2afq h GLN 239 Ca 0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2afq h GLN 239 Cb 0.39 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2afq h GLN 239 CO -0.24 0.66 0.15 -0.22 -0.67 0.00 0.00 178.83 178.51 2afq h LYS 240 N 0.99 0.51 -0.27 1.46 3.64 -0.65 0.31 116.57 122.55 2afq h LYS 240 Ca 0.26 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2afq h LYS 240 Cb -0.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2afq h LYS 240 CO -0.05 0.48 0.14 0.28 -2.27 0.00 0.00 179.45 178.03 2afq h VAL 241 N 0.41 1.13 -0.27 2.00 2.07 -0.93 -0.57 116.25 120.09 2afq h VAL 241 Ca 0.12 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2afq h VAL 241 Cb 0.16 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2afq h VAL 241 CO -0.01 0.13 -0.24 0.40 0.02 0.00 0.00 177.57 177.86 2afq h ILE 242 N 0.31 1.31 -0.40 4.57 2.04 -1.36 -3.21 117.51 120.77 2afq h ILE 242 Ca 0.09 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 2afq h ILE 242 Cb 0.08 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2afq h ILE 242 CO -0.01 0.44 0.18 0.44 0.00 0.00 0.00 178.15 179.20 2afq h ASP 243 N 0.38 0.53 -0.00 1.72 3.32 -0.90 -3.51 116.42 117.96 2afq h ASP 243 Ca 0.05 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2afq h ASP 243 Cb 0.80 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2afq h ASP 243 CO 0.06 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 178.11