#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfq s VAL 17 N 0.00 4.92 -1.39 1.39 1.01 0.96 -4.12 120.40 123.17 1sfq s VAL 17 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1sfq s VAL 17 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1sfq s VAL 17 CO 0.00 0.49 0.17 -0.62 0.00 0.00 0.00 175.10 175.13 1sfq n GLU 18 N 3.24 -2.24 -0.13 2.72 -0.58 -1.26 -2.14 120.64 120.25 1sfq n GLU 18 Ca -0.17 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1sfq n GLU 18 Cb 0.53 -5.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.13 1sfq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sfq n GLY 19 N -1.14 2.78 3.29 0.62 0.00 -1.26 -4.74 105.19 104.75 1sfq n GLY 19 Ca -0.17 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 1sfq n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfq s SER 20 N -0.72 0.40 0.26 1.61 1.04 -0.36 -4.89 113.70 111.04 1sfq s SER 20 Ca 0.00 -1.39 -0.30 0.00 0.48 0.00 0.00 55.95 54.75 1sfq s SER 20 Cb 0.00 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 1sfq s SER 20 CO 0.00 -0.95 1.43 -1.81 0.98 0.00 0.00 173.24 172.89 1sfq s ASP 21 N -3.18 6.65 0.65 7.02 1.11 -1.26 -0.41 116.67 127.25 1sfq s ASP 21 Ca 0.36 2.68 -0.14 0.00 0.18 0.00 0.00 52.55 55.64 1sfq s ASP 21 Cb 0.05 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.40 1sfq s ASP 21 CO 0.15 -0.69 1.07 0.00 1.18 0.00 0.00 175.17 176.88 1sfq s ALA 22 N -0.17 2.63 0.37 5.23 0.00 0.05 -4.80 121.76 125.08 1sfq s ALA 22 Ca 0.58 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 1sfq s ALA 22 Cb -0.42 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1sfq s ALA 22 CO 0.45 -1.09 0.69 -1.21 0.00 0.00 0.00 175.76 174.60 1sfq s GLU 23 N -4.41 3.68 0.20 0.00 2.02 -1.26 -4.95 118.70 113.99 1sfq s GLU 23 Ca 0.62 0.24 -0.32 0.00 0.02 0.00 0.00 54.97 55.53 1sfq s GLU 23 Cb -0.16 -2.49 -0.12 0.00 0.10 0.00 0.00 34.13 31.46 1sfq s GLU 23 CO 0.44 0.04 1.74 -0.89 0.02 0.00 0.00 175.26 176.61 1sfq n ILE 24 N -1.32 0.03 -0.96 -1.63 2.08 -1.26 -1.67 119.36 114.64 1sfq n ILE 24 Ca 0.00 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1sfq n ILE 24 Cb 0.54 -2.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.43 1sfq n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sfq n GLY 25 N 4.00 0.45 0.19 7.39 0.00 -1.26 -4.89 105.19 111.07 1sfq n GLY 25 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1sfq n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1sfq h MET 26 N 1.09 0.00 -2.01 1.61 -1.53 -1.69 -3.33 114.93 109.08 1sfq h MET 26 Ca 0.00 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.71 1sfq h MET 26 Cb 0.22 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 30.88 1sfq h MET 26 CO 0.00 0.34 -1.11 0.45 0.14 0.00 0.00 176.91 176.74 1sfq n SER 27 N -4.05 0.37 0.06 1.39 2.88 -1.26 -4.97 113.62 108.04 1sfq n SER 27 Ca -0.02 -2.76 0.05 0.00 -1.33 0.00 0.00 58.87 54.81 1sfq n SER 27 Cb 0.39 -0.64 0.25 0.00 -0.75 0.00 0.00 64.21 63.46 1sfq n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sfq n PRO 28 N 1.24 0.06 0.00 -1.46 -0.04 -1.25 -1.40 135.00 132.15 1sfq n PRO 28 Ca 0.22 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1sfq n PRO 28 Cb 0.54 -1.67 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 1sfq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sfq n TRP 29 N -1.79 0.00 -2.15 0.54 2.14 -0.96 -1.89 117.44 113.34 1sfq n TRP 29 Ca -0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1sfq n TRP 29 Cb 0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1sfq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1sfq s GLN 30 N -2.19 4.32 0.08 -2.67 2.00 -0.49 -0.16 119.66 120.55 1sfq s GLN 30 Ca 0.27 2.11 0.09 0.00 -2.00 0.00 0.00 55.36 55.83 1sfq s GLN 30 Cb 0.20 -3.22 -0.03 0.00 0.80 0.00 0.00 33.01 30.75 1sfq s GLN 30 CO 0.41 -0.41 -0.23 0.08 -0.50 0.00 0.00 175.29 174.64 1sfq s VAL 31 N 0.84 1.85 -0.18 1.34 1.01 0.05 -4.14 120.40 121.17 1sfq s VAL 31 Ca 0.63 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1sfq s VAL 31 Cb -0.38 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1sfq s VAL 31 CO 0.33 0.11 -0.01 -0.32 0.00 0.00 0.00 175.10 175.20 1sfq s MET 32 N -1.61 3.65 -0.18 2.72 1.75 0.17 -0.59 119.30 125.21 1sfq s MET 32 Ca 0.09 -0.51 -0.18 0.00 -1.25 0.00 0.00 55.69 53.83 1sfq s MET 32 Cb -0.10 -3.03 -0.03 0.00 2.84 0.00 0.00 34.83 34.51 1sfq s MET 32 CO 0.03 0.10 0.50 -1.17 -0.65 0.00 0.00 175.02 173.84 1sfq s LEU 33 N 0.75 4.18 -0.06 4.11 2.96 0.27 -1.15 118.68 129.73 1sfq s LEU 33 Ca -0.00 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 1sfq s LEU 33 Cb -0.14 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.86 1sfq s LEU 33 CO 0.02 -0.13 -0.14 0.12 -1.32 0.00 0.00 176.35 174.89 1sfq s PHE 34 N 1.39 1.58 0.10 5.38 2.19 -0.28 -0.67 117.98 127.67 1sfq s PHE 34 Ca 0.24 -0.55 -0.27 0.00 0.33 0.00 0.00 56.93 56.68 1sfq s PHE 34 Cb -0.15 -1.12 -0.06 0.00 -1.31 0.00 0.00 43.02 40.37 1sfq s PHE 34 CO 0.10 -0.25 0.83 0.50 1.83 0.00 0.00 175.22 178.23 1sfq s ARG 35 N 0.47 4.59 -0.02 10.12 3.52 0.06 -1.20 118.95 136.50 1sfq s ARG 35 Ca -0.12 1.22 -0.24 0.00 -0.13 0.00 0.00 55.73 56.46 1sfq s ARG 35 Cb -0.15 -3.34 -0.20 0.00 -1.56 0.00 0.00 34.95 29.71 1sfq s ARG 35 CO 0.04 0.34 1.22 0.87 -0.81 0.00 0.00 175.30 176.96 1sfq h LYS 36 N 5.24 0.12 -2.66 5.12 1.57 -1.64 -2.89 116.57 121.43 1sfq h LYS 36 Ca -0.44 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.02 1sfq h LYS 36 Cb 1.21 0.01 -0.33 0.00 0.08 0.00 0.00 32.23 33.19 1sfq h LYS 36 CO 0.70 0.65 -0.55 0.45 -0.57 0.00 0.00 179.45 180.12 1sfq s SER 36 N -5.93 0.64 0.82 0.86 0.15 -1.26 -3.24 113.70 105.74 1sfq s SER 36 Ca -0.16 0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.70 1sfq s SER 36 Cb 0.02 0.65 0.08 0.00 -1.71 0.00 0.00 66.02 65.07 1sfq s SER 36 CO 0.71 -0.27 1.09 -2.16 1.20 0.00 0.00 173.24 173.81 1sfq s PRO 37 N 2.41 1.87 -0.31 5.44 0.04 -1.26 -5.06 135.00 138.13 1sfq s PRO 37 Ca 0.04 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1sfq s PRO 37 Cb -0.13 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1sfq s PRO 37 CO -0.10 -1.88 1.22 -0.65 0.04 0.00 0.00 177.00 175.63 1sfq s GLN 38 N -4.90 3.97 -0.03 4.56 -0.21 -1.20 -4.64 119.66 117.21 1sfq s GLN 38 Ca 0.62 1.18 -0.29 0.00 0.02 0.00 0.00 55.36 56.89 1sfq s GLN 38 Cb -0.18 -3.83 0.08 0.00 1.00 0.00 0.00 33.01 30.08 1sfq s GLN 38 CO 0.56 -1.04 0.72 -1.83 -2.12 0.00 0.00 175.29 171.59 1sfq s GLU 39 N 3.98 1.02 0.20 2.91 -1.05 -1.09 -4.98 118.70 119.69 1sfq s GLU 39 Ca 0.52 0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 55.13 1sfq s GLU 39 Cb -0.15 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 1sfq s GLU 39 CO 0.21 -0.35 1.17 -1.17 0.95 0.00 0.00 175.26 176.07 1sfq s LEU 40 N -1.53 4.47 -0.16 1.83 0.20 -1.26 -0.76 118.68 121.47 1sfq s LEU 40 Ca -0.07 2.23 -0.01 0.00 0.69 0.00 0.00 54.13 56.98 1sfq s LEU 40 Cb -0.00 -3.61 -0.09 0.00 -0.43 0.00 0.00 46.19 42.05 1sfq s LEU 40 CO 0.04 -0.33 -0.15 0.18 -0.29 0.00 0.00 176.35 175.80 1sfq n LEU 41 N 2.26 2.58 -3.89 -0.68 4.77 0.16 -4.88 117.00 117.31 1sfq n LEU 41 Ca 0.03 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1sfq n LEU 41 Cb 0.45 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1sfq n LEU 41 CO 0.55 0.67 0.85 0.00 -1.33 0.00 0.00 177.39 178.13 1sfq s GLY 43 N -3.44 1.73 0.14 0.00 0.00 0.87 -0.57 107.32 106.05 1sfq s GLY 43 Ca 0.22 -2.12 -0.24 0.00 0.00 0.00 0.00 44.72 42.58 1sfq s GLY 43 CO 0.04 -1.65 1.09 0.00 0.00 0.00 0.00 173.10 172.58 1sfq s ALA 44 N -2.71 -1.78 0.01 3.20 0.00 0.24 -3.83 121.76 116.90 1sfq s ALA 44 Ca 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 1sfq s ALA 44 Cb -0.06 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1sfq s ALA 44 CO 0.40 -1.08 -0.02 -1.54 0.00 0.00 0.00 175.76 173.52 1sfq s SER 45 N -3.44 0.17 -0.27 0.00 1.04 0.16 -0.77 113.70 110.60 1sfq s SER 45 Ca 0.22 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 56.10 1sfq s SER 45 Cb -0.02 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1sfq s SER 45 CO 0.04 -0.23 0.56 -0.22 0.98 0.00 0.00 173.24 174.37 1sfq s LEU 46 N -1.09 4.08 0.00 2.42 2.96 0.78 -0.54 118.68 127.29 1sfq s LEU 46 Ca -0.12 0.52 0.11 0.00 -0.22 0.00 0.00 54.13 54.43 1sfq s LEU 46 Cb -0.07 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1sfq s LEU 46 CO -0.01 -0.35 0.67 2.30 -1.32 0.00 0.00 176.35 177.64 1sfq n ILE 47 N 5.22 0.00 -3.93 6.68 -5.35 -0.61 -1.62 119.36 119.74 1sfq n ILE 47 Ca -0.03 -0.37 -0.01 0.00 -0.27 0.00 0.00 62.75 62.06 1sfq n ILE 47 Cb 0.49 1.13 0.02 0.00 -1.74 0.00 0.00 39.64 39.54 1sfq n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1sfq s SER 48 N -1.51 0.02 0.00 7.28 1.04 -1.20 -4.74 113.70 114.59 1sfq s SER 48 Ca 0.09 -0.55 0.18 0.00 0.48 0.00 0.00 55.95 56.15 1sfq s SER 48 Cb 0.09 0.39 0.79 0.00 0.10 0.00 0.00 66.02 67.39 1sfq s SER 48 CO 0.29 -0.79 1.56 -0.90 0.98 0.00 0.00 173.24 174.39 1sfq n ASP 49 N -1.24 0.00 0.00 7.02 5.68 -1.26 -3.51 116.55 123.24 1sfq n ASP 49 Ca -0.00 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 1sfq n ASP 49 Cb 0.59 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1sfq n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1sfq n ARG 50 N -1.46 0.35 -4.67 0.11 1.74 -1.26 -0.49 116.66 110.98 1sfq n ARG 50 Ca 0.05 -0.51 -0.25 0.00 -0.77 0.00 0.00 57.85 56.38 1sfq n ARG 50 Cb 0.19 -0.67 -0.16 0.00 -1.02 0.00 0.00 32.46 30.80 1sfq n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1sfq s TRP 51 N -0.17 1.50 -0.06 -1.55 0.52 -1.23 -1.16 118.94 116.78 1sfq s TRP 51 Ca 0.00 -0.47 0.03 0.00 0.02 0.00 0.00 56.10 55.68 1sfq s TRP 51 Cb 0.00 -1.04 0.00 0.00 -1.15 0.00 0.00 33.47 31.28 1sfq s TRP 51 CO 0.00 -0.20 -0.17 0.08 0.02 0.00 0.00 176.95 176.69 1sfq s VAL 52 N 0.29 1.44 -0.03 4.03 1.01 -0.48 -1.57 120.40 125.09 1sfq s VAL 52 Ca -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1sfq s VAL 52 Cb -0.13 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1sfq s VAL 52 CO 0.03 0.42 0.17 -0.22 0.00 0.00 0.00 175.10 175.49 1sfq s LEU 53 N 0.34 4.35 0.00 3.92 2.96 0.30 -0.74 118.68 129.81 1sfq s LEU 53 Ca -0.11 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.08 1sfq s LEU 53 Cb -0.14 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 44.09 1sfq s LEU 53 CO 0.04 0.29 0.55 1.07 -1.32 0.00 0.00 176.35 176.98 1sfq n THR 54 N 1.16 0.00 -3.18 3.68 5.66 -0.49 -0.66 114.28 120.44 1sfq n THR 54 Ca -0.13 -0.96 -0.39 0.00 -3.05 0.00 0.00 64.05 59.52 1sfq n THR 54 Cb 0.53 0.80 -0.06 0.00 -1.55 0.00 0.00 70.33 70.05 1sfq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sfq s ALA 55 N -2.04 3.53 0.38 1.79 0.00 -1.26 -1.14 121.76 123.01 1sfq s ALA 55 Ca 0.16 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1sfq s ALA 55 Cb -0.03 -2.74 0.74 0.00 0.00 0.00 0.00 23.12 21.09 1sfq s ALA 55 CO 0.11 0.33 2.02 0.00 0.00 0.00 0.00 175.76 178.22 1sfq h ALA 56 N 4.70 1.61 0.00 0.00 0.00 -1.72 -2.54 119.26 121.31 1sfq h ALA 56 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sfq h ALA 56 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1sfq h ALA 56 CO 0.65 0.35 0.00 -2.39 0.00 0.00 0.00 179.25 177.86 1sfq n HIS 57 N -4.44 0.54 0.23 0.00 1.44 -1.26 -0.80 115.22 110.94 1sfq n HIS 57 Ca 0.04 0.23 0.11 0.00 -2.01 0.00 0.00 57.72 56.09 1sfq n HIS 57 Cb 0.07 -0.87 0.45 0.00 0.12 0.00 0.00 29.99 29.76 1sfq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sfq n LEU 59 N -3.28 0.46 -3.59 0.00 4.77 -0.19 -4.92 117.00 110.25 1sfq n LEU 59 Ca 0.01 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1sfq n LEU 59 Cb 0.43 0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1sfq n LEU 59 CO 0.33 0.34 -0.31 -0.22 -1.33 0.00 0.00 177.39 176.20 1sfq s LEU 60 N -4.97 0.26 0.15 2.23 2.96 0.02 -1.03 118.68 118.31 1sfq s LEU 60 Ca -0.08 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 1sfq s LEU 60 Cb 0.04 -0.13 0.03 0.00 0.50 0.00 0.00 46.19 46.62 1sfq s LEU 60 CO 0.43 -0.34 0.43 -0.47 -1.32 0.00 0.00 176.35 175.08 1sfq s TYR 60 N 2.17 -0.13 0.00 5.38 5.04 0.84 -4.09 117.35 126.57 1sfq s TYR 60 Ca 0.03 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 1sfq s TYR 60 Cb -0.16 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.43 1sfq s TYR 60 CO -0.09 -0.77 0.00 -2.30 -1.34 0.00 0.00 175.55 171.04 1sfq n PRO 60 N -0.26 0.00 -0.43 4.97 -0.02 -1.26 -2.21 135.00 135.78 1sfq n PRO 60 Ca -0.13 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.43 1sfq n PRO 60 Cb 0.63 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.37 1sfq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sfq n TRP 60 N 0.00 0.94 -3.80 6.00 8.01 -1.26 -4.95 117.44 122.38 1sfq n TRP 60 Ca 0.00 -0.82 -0.26 0.00 -1.31 0.00 0.00 57.50 55.11 1sfq n TRP 60 Cb 0.00 -0.29 0.04 0.00 -2.01 0.00 0.00 31.31 29.05 1sfq n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1sfq n ASP 60 N -0.32 -3.70 -4.31 -0.99 8.00 -1.16 -4.98 116.55 109.10 1sfq n ASP 60 Ca 0.20 -0.76 -0.34 0.00 0.71 0.00 0.00 54.79 54.60 1sfq n ASP 60 Cb 0.85 -4.09 -0.14 0.00 -0.02 0.00 0.00 41.12 37.71 1sfq n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1sfq s LYS 60 N -6.35 3.35 -0.48 -1.24 2.20 -0.94 -4.99 119.74 111.28 1sfq s LYS 60 Ca 0.42 -0.66 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 1sfq s LYS 60 Cb -0.21 -2.86 0.21 0.00 -1.51 0.00 0.00 37.83 33.47 1sfq s LYS 60 CO 0.81 -0.07 0.84 -1.71 -0.36 0.00 0.00 175.35 174.86 1sfq n ASN 60 N 4.39 -2.99 -4.80 1.43 2.85 -1.24 -0.11 115.26 114.79 1sfq n ASN 60 Ca -0.18 -2.76 -0.34 0.00 -0.11 0.00 0.00 54.58 51.19 1sfq n ASN 60 Cb 0.51 1.62 -0.04 0.00 1.24 0.00 0.00 39.78 43.11 1sfq n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1sfq s PHE 60 N 0.80 3.04 0.31 1.20 0.08 -0.20 -5.02 117.98 118.20 1sfq s PHE 60 Ca 0.30 1.58 0.08 0.00 0.12 0.00 0.00 56.93 59.01 1sfq s PHE 60 Cb 0.09 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 1sfq s PHE 60 CO -0.11 -0.75 0.12 -0.08 -0.10 0.00 0.00 175.22 174.30 1sfq s THR 60 N -2.03 3.26 0.23 0.64 -1.32 -1.26 -4.94 115.64 110.22 1sfq s THR 60 Ca 0.66 -1.71 -0.09 0.00 -1.21 0.00 0.00 61.69 59.34 1sfq s THR 60 Cb -0.15 -2.99 0.26 0.00 -1.51 0.00 0.00 72.50 68.11 1sfq s THR 60 CO 0.20 -0.24 1.63 -0.33 -2.21 0.00 0.00 174.62 173.67 1sfq h GLU 61 N 1.61 0.07 0.00 7.08 3.07 -1.94 -1.43 114.58 123.03 1sfq h GLU 61 Ca -0.44 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1sfq h GLU 61 Cb 1.25 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1sfq h GLU 61 CO 0.62 0.04 0.00 -0.91 -1.40 0.00 0.00 179.01 177.37 1sfq h ASN 62 N 0.07 0.00 1.56 1.42 2.35 -1.96 -2.82 115.58 116.20 1sfq h ASN 62 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1sfq h ASN 62 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1sfq h ASN 62 CO -0.66 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 175.56 1sfq h ASP 63 N 0.00 0.00 -2.81 5.81 3.32 -1.66 -3.48 116.42 117.61 1sfq h ASP 63 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1sfq h ASP 63 Cb 0.22 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.63 1sfq h ASP 63 CO 0.00 0.00 -0.62 -0.76 -1.72 0.00 0.00 179.24 176.14 1sfq s LEU 64 N -5.79 2.42 0.04 1.55 1.43 -1.06 -1.64 118.68 115.63 1sfq s LEU 64 Ca 0.06 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 1sfq s LEU 64 Cb 0.08 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 1sfq s LEU 64 CO 0.60 -0.50 -0.02 -0.76 0.23 0.00 0.00 176.35 175.90 1sfq s LEU 65 N -3.53 2.41 0.01 1.79 1.43 -0.34 -4.50 118.68 115.95 1sfq s LEU 65 Ca 0.34 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1sfq s LEU 65 Cb 0.08 0.21 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1sfq s LEU 65 CO 0.15 -0.54 -0.25 0.68 0.23 0.00 0.00 176.35 176.61 1sfq s VAL 66 N -3.42 2.03 -0.18 -1.59 -7.23 -0.82 -1.13 120.40 108.06 1sfq s VAL 66 Ca 0.02 -1.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1sfq s VAL 66 Cb 0.04 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.29 1sfq s VAL 66 CO -0.08 0.46 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.86 1sfq s ARG 67 N -0.89 3.04 0.02 4.82 0.52 -0.30 -1.15 118.95 125.02 1sfq s ARG 67 Ca 0.10 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.57 1sfq s ARG 67 Cb -0.10 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 1sfq s ARG 67 CO 0.00 -0.18 -0.16 0.42 0.02 0.00 0.00 175.30 175.40 1sfq s ILE 68 N 1.25 2.93 0.00 1.52 1.01 -0.44 -0.66 121.20 126.81 1sfq s ILE 68 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1sfq s ILE 68 Cb -0.13 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1sfq s ILE 68 CO -0.11 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1sfq n GLY 69 N 1.67 0.66 3.85 6.18 0.00 -1.26 -0.31 105.19 115.98 1sfq n GLY 69 Ca -0.16 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1sfq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfq s LYS 70 N -0.38 3.52 0.20 1.61 1.02 -1.26 -4.41 119.74 120.04 1sfq s LYS 70 Ca 0.00 0.83 0.00 0.00 0.02 0.00 0.00 55.97 56.82 1sfq s LYS 70 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1sfq s LYS 70 CO 0.00 -0.63 0.00 1.58 -0.92 0.00 0.00 175.35 175.38 1sfq n HIS 71 N -2.63 -1.40 -2.17 3.18 -0.00 -1.26 -4.94 115.22 106.00 1sfq n HIS 71 Ca 0.06 0.25 -0.37 0.00 -0.00 0.00 0.00 57.72 57.66 1sfq n HIS 71 Cb 0.54 0.32 0.00 0.00 -0.00 0.00 0.00 29.99 30.85 1sfq n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1sfq s SER 72 N -5.47 5.90 0.02 0.26 0.15 -1.26 -0.42 113.70 112.88 1sfq s SER 72 Ca 0.00 2.37 -0.19 0.00 0.70 0.00 0.00 55.95 58.83 1sfq s SER 72 Cb 0.00 -2.60 -0.21 0.00 -1.71 0.00 0.00 66.02 61.50 1sfq s SER 72 CO 0.00 -1.10 1.16 -0.09 1.20 0.00 0.00 173.24 174.41 1sfq h ARG 73 N 1.77 0.47 0.00 5.44 2.43 -1.26 -3.40 114.38 119.81 1sfq h ARG 73 Ca -0.50 -0.44 -0.13 0.00 -0.81 0.00 0.00 59.98 58.11 1sfq h ARG 73 Cb 1.26 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 1sfq h ARG 73 CO 0.59 1.08 -1.72 0.25 -1.51 0.00 0.00 179.97 178.66 1sfq n THR 74 N -4.22 0.47 -2.08 0.20 -2.24 -1.26 -4.99 114.28 100.17 1sfq n THR 74 Ca -0.09 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1sfq n THR 74 Cb 0.64 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 1sfq n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1sfq s ARG 75 N -2.54 4.32 -0.26 -0.78 3.52 -1.26 -4.95 118.95 117.00 1sfq s ARG 75 Ca -0.05 2.25 -0.27 0.00 -0.13 0.00 0.00 55.73 57.53 1sfq s ARG 75 Cb 0.05 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1sfq s ARG 75 CO 0.51 -0.29 0.94 -0.47 -0.81 0.00 0.00 175.30 175.18 1sfq s TYR 76 N -0.66 3.27 -0.93 5.12 6.04 -1.26 -4.82 117.35 124.11 1sfq s TYR 76 Ca 0.53 1.21 -0.00 0.00 0.04 0.00 0.00 57.07 58.85 1sfq s TYR 76 Cb -0.40 -3.27 0.31 0.00 -1.04 0.00 0.00 41.96 37.55 1sfq s TYR 76 CO 0.49 -0.52 1.46 0.39 -1.54 0.00 0.00 175.55 175.83 1sfq n GLU 77 N 6.31 4.49 -1.59 4.97 1.02 -1.26 -5.04 120.64 129.53 1sfq n GLU 77 Ca 0.09 -4.67 -0.38 0.00 -0.02 0.00 0.00 57.16 52.18 1sfq n GLU 77 Cb 0.47 -2.42 0.05 0.00 -0.02 0.00 0.00 31.44 29.52 1sfq n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sfq n ALA 77 N 0.42 -0.08 0.00 0.62 0.00 -1.26 -0.63 120.51 119.58 1sfq n ALA 77 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1sfq n ALA 77 Cb 0.32 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1sfq n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sfq n ASN 78 N -0.51 0.00 -0.09 0.00 4.13 -1.26 -4.62 115.26 112.91 1sfq n ASN 78 Ca 0.13 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.21 1sfq n ASN 78 Cb 0.47 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.65 1sfq n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1sfq n ILE 79 N 0.00 0.97 -2.88 2.41 5.41 -0.81 -4.99 119.36 119.48 1sfq n ILE 79 Ca 0.00 -0.26 -0.31 0.00 1.00 0.00 0.00 62.75 63.18 1sfq n ILE 79 Cb 0.00 -1.68 -0.04 0.00 -0.71 0.00 0.00 39.64 37.21 1sfq n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1sfq s GLU 80 N -2.33 3.86 -0.09 0.38 -1.05 0.19 -4.68 118.70 115.00 1sfq s GLU 80 Ca -0.25 0.58 0.04 0.00 -0.15 0.00 0.00 54.97 55.20 1sfq s GLU 80 Cb 0.09 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 1sfq s GLU 80 CO 0.32 -0.01 -0.21 0.15 0.95 0.00 0.00 175.26 176.45 1sfq s LYS 81 N -3.64 2.68 -0.29 -4.83 3.01 0.57 -4.75 119.74 112.50 1sfq s LYS 81 Ca 0.53 -0.78 -0.14 0.00 -1.01 0.00 0.00 55.97 54.57 1sfq s LYS 81 Cb -0.10 -2.08 -0.03 0.00 -1.01 0.00 0.00 37.83 34.61 1sfq s LYS 81 CO 0.27 0.17 0.35 0.42 0.51 0.00 0.00 175.35 177.07 1sfq s ILE 82 N 0.34 5.19 0.07 2.17 -1.09 -1.26 -1.32 121.20 125.30 1sfq s ILE 82 Ca -0.16 0.41 0.08 0.00 -2.23 0.00 0.00 60.65 58.75 1sfq s ILE 82 Cb -0.17 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1sfq s ILE 82 CO 0.07 0.11 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.28 1sfq s SER 83 N 1.68 3.86 0.27 3.58 0.01 -0.30 -4.98 113.70 117.81 1sfq s SER 83 Ca 0.13 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1sfq s SER 83 Cb -0.16 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1sfq s SER 83 CO 0.11 0.22 0.46 -0.04 0.41 0.00 0.00 173.24 174.39 1sfq s MET 84 N -1.76 3.51 -0.13 12.44 -1.94 -1.26 -1.95 119.30 128.22 1sfq s MET 84 Ca 0.16 -0.36 -0.15 0.00 -1.71 0.00 0.00 55.69 53.63 1sfq s MET 84 Cb -0.11 -2.76 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 1sfq s MET 84 CO 0.08 0.30 0.36 -0.51 -0.01 0.00 0.00 175.02 175.23 1sfq s LEU 85 N -3.78 4.29 -0.14 -0.03 1.43 -1.26 -1.19 118.68 117.99 1sfq s LEU 85 Ca 0.39 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.04 1sfq s LEU 85 Cb -0.10 -2.49 -0.24 0.00 0.03 0.00 0.00 46.19 43.38 1sfq s LEU 85 CO 0.32 0.11 0.33 1.21 0.23 0.00 0.00 176.35 178.54 1sfq n GLU 86 N 3.34 0.71 -3.61 1.70 2.13 0.15 -4.68 120.64 120.38 1sfq n GLU 86 Ca -0.11 0.35 -0.15 0.00 0.66 0.00 0.00 57.16 57.91 1sfq n GLU 86 Cb 0.52 -1.72 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 1sfq n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1sfq s LYS 87 N -2.50 0.88 -0.10 5.31 2.47 -1.11 -5.00 119.74 119.69 1sfq s LYS 87 Ca -0.24 0.67 -0.03 0.00 -1.56 0.00 0.00 55.97 54.81 1sfq s LYS 87 Cb 0.06 0.42 -0.03 0.00 -1.46 0.00 0.00 37.83 36.82 1sfq s LYS 87 CO 0.72 -0.18 0.00 0.42 0.16 0.00 0.00 175.35 176.48 1sfq s ILE 88 N -0.23 4.31 -0.21 5.43 1.01 -1.26 -1.18 121.20 129.07 1sfq s ILE 88 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1sfq s ILE 88 Cb -0.03 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.66 1sfq s ILE 88 CO 0.04 0.58 -0.05 -0.31 0.00 0.00 0.00 174.94 175.20 1sfq s TYR 89 N -0.64 2.13 -0.02 3.97 1.51 0.53 -5.00 117.35 119.83 1sfq s TYR 89 Ca 0.10 -1.51 -0.13 0.00 -1.01 0.00 0.00 57.07 54.53 1sfq s TYR 89 Cb -0.12 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1sfq s TYR 89 CO 0.02 -0.72 0.35 0.42 -1.11 0.00 0.00 175.55 174.51 1sfq s ILE 90 N 1.49 5.14 0.20 2.71 -1.09 -1.26 -0.66 121.20 127.73 1sfq s ILE 90 Ca -0.03 0.67 -0.32 0.00 -2.23 0.00 0.00 60.65 58.74 1sfq s ILE 90 Cb -0.18 -3.64 -0.13 0.00 -1.58 0.00 0.00 42.46 36.94 1sfq s ILE 90 CO -0.07 0.57 1.62 1.57 -1.23 0.00 0.00 174.94 177.40 1sfq n HIS 91 N 1.78 2.52 0.15 3.97 -0.00 -0.97 -4.83 115.22 117.85 1sfq n HIS 91 Ca -0.15 0.19 0.18 0.00 -0.00 0.00 0.00 57.72 57.95 1sfq n HIS 91 Cb 0.53 -2.59 0.78 0.00 -0.00 0.00 0.00 29.99 28.71 1sfq n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1sfq h PRO 92 N 5.94 0.00 -0.46 1.57 0.13 -1.95 -1.94 132.00 135.29 1sfq h PRO 92 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1sfq h PRO 92 Cb 1.23 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1sfq h PRO 92 CO 0.89 0.00 0.08 0.54 -0.23 0.00 0.00 178.00 179.28 1sfq n ARG 93 N -3.87 2.81 -1.71 0.86 1.74 -1.26 -4.98 116.66 110.25 1sfq n ARG 93 Ca 0.04 -3.02 -0.42 0.00 -0.77 0.00 0.00 57.85 53.68 1sfq n ARG 93 Cb 0.43 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 1sfq n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1sfq s TYR 94 N -3.02 1.36 -1.11 -1.55 5.04 -0.73 -4.72 117.35 112.61 1sfq s TYR 94 Ca 0.47 -0.33 -0.12 0.00 -2.44 0.00 0.00 57.07 54.65 1sfq s TYR 94 Cb 0.40 -4.19 0.22 0.00 0.35 0.00 0.00 41.96 38.73 1sfq s TYR 94 CO 0.08 -5.28 1.22 1.21 -1.34 0.00 0.00 175.55 171.43 1sfq s ASN 95 N 4.49 7.12 0.37 4.32 3.84 -0.19 -4.84 114.94 130.06 1sfq s ASN 95 Ca 0.87 -3.15 0.20 0.00 0.21 0.00 0.00 52.86 50.98 1sfq s ASN 95 Cb -0.41 -2.30 0.25 0.00 -0.55 0.00 0.00 41.25 38.24 1sfq s ASN 95 CO 0.40 -0.56 1.55 4.11 -2.79 0.00 0.00 177.10 179.80 1sfq h TRP 96 N 7.13 0.00 -0.14 0.43 5.08 -1.91 0.75 115.95 127.30 1sfq h TRP 96 Ca 0.23 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.07 1sfq h TRP 96 Cb 0.90 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1sfq h TRP 96 CO 0.95 0.23 -0.46 0.00 -1.28 0.00 0.00 178.44 177.89 1sfq h ARG 97 N 0.00 0.34 0.00 0.12 3.08 -2.00 -3.44 114.38 112.48 1sfq h ARG 97 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1sfq h ARG 97 Cb 1.16 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1sfq h ARG 97 CO 0.03 0.73 0.00 -1.91 -1.07 0.00 0.00 179.97 177.75 1sfq n GLU 97 N -3.99 0.00 -0.11 0.04 2.13 -1.24 -4.99 120.64 112.48 1sfq n GLU 97 Ca -0.02 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.87 1sfq n GLU 97 Cb 0.52 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.32 1sfq n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1sfq n ASN 98 N -1.23 1.86 -1.36 4.31 6.94 -1.23 -4.99 115.26 119.56 1sfq n ASN 98 Ca 0.00 -2.65 -0.15 0.00 -0.02 0.00 0.00 54.58 51.76 1sfq n ASN 98 Cb 0.00 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 37.08 1sfq n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1sfq n LEU 99 N -1.00 -1.31 -4.71 -4.53 4.32 0.26 -4.94 117.00 105.08 1sfq n LEU 99 Ca 0.10 0.23 -0.43 0.00 -0.02 0.00 0.00 56.01 55.89 1sfq n LEU 99 Cb 0.57 -2.22 -0.02 0.00 -1.62 0.00 0.00 43.42 40.14 1sfq n LEU 99 CO 0.01 -0.55 1.07 -0.67 -1.22 0.00 0.00 177.39 176.03 1sfq n ASP 100 N -0.58 3.22 -3.32 -1.43 2.03 -1.23 -2.35 116.55 112.88 1sfq n ASP 100 Ca -0.16 1.17 -0.16 0.00 0.52 0.00 0.00 54.79 56.16 1sfq n ASP 100 Cb 0.54 -1.51 0.08 0.00 -0.72 0.00 0.00 41.12 39.51 1sfq n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1sfq n ARG 101 N 1.55 -5.31 -2.71 -0.67 1.74 -1.26 -1.02 116.66 108.98 1sfq n ARG 101 Ca 0.08 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.56 1sfq n ARG 101 Cb 0.35 -5.77 -0.01 0.00 -1.02 0.00 0.00 32.46 26.01 1sfq n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sfq s ASP 102 N -4.07 6.83 -0.12 0.55 2.15 -0.99 -4.38 116.67 116.64 1sfq s ASP 102 Ca 0.12 -2.40 -0.17 0.00 0.43 0.00 0.00 52.55 50.54 1sfq s ASP 102 Cb -0.02 -2.51 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 1sfq s ASP 102 CO 0.71 -1.10 0.43 -0.51 -0.17 0.00 0.00 175.17 174.53 1sfq s ILE 103 N 3.47 0.01 0.02 4.11 2.07 -1.26 -3.82 121.20 125.81 1sfq s ILE 103 Ca 0.48 -0.12 -0.16 0.00 -1.41 0.00 0.00 60.65 59.44 1sfq s ILE 103 Cb 0.01 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 41.97 1sfq s ILE 103 CO 0.01 -0.07 0.34 0.00 -1.91 0.00 0.00 174.94 173.32 1sfq s ALA 104 N -0.28 -0.82 0.08 1.50 0.00 -0.29 -2.28 121.76 119.66 1sfq s ALA 104 Ca -0.04 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.23 1sfq s ALA 104 Cb -0.03 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1sfq s ALA 104 CO 0.02 -0.37 -0.24 -0.51 0.00 0.00 0.00 175.76 174.66 1sfq s LEU 105 N -1.77 2.36 -0.09 0.00 1.43 0.17 -1.40 118.68 119.37 1sfq s LEU 105 Ca -0.08 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1sfq s LEU 105 Cb -0.02 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.88 1sfq s LEU 105 CO -0.00 0.22 -0.07 -0.04 0.23 0.00 0.00 176.35 176.70 1sfq s MET 106 N -1.65 1.29 -0.16 1.70 -1.94 0.08 -0.35 119.30 118.27 1sfq s MET 106 Ca 0.14 -0.19 -0.15 0.00 -1.71 0.00 0.00 55.69 53.77 1sfq s MET 106 Cb -0.10 -1.34 -0.04 0.00 2.01 0.00 0.00 34.83 35.35 1sfq s MET 106 CO 0.05 -0.20 0.34 0.21 -0.01 0.00 0.00 175.02 175.41 1sfq s LYS 107 N 1.47 4.26 0.51 2.03 2.20 -0.32 -1.38 119.74 128.50 1sfq s LYS 107 Ca -0.01 0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.61 1sfq s LYS 107 Cb -0.13 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.66 1sfq s LYS 107 CO -0.04 0.17 0.98 -0.51 -0.36 0.00 0.00 175.35 175.59 1sfq s LEU 108 N 0.66 3.62 0.29 5.43 1.43 -0.31 0.30 118.68 130.10 1sfq s LEU 108 Ca 0.18 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1sfq s LEU 108 Cb -0.14 -4.49 0.44 0.00 0.03 0.00 0.00 46.19 42.03 1sfq s LEU 108 CO 0.06 -0.59 1.76 0.11 0.23 0.00 0.00 176.35 177.92 1sfq h LYS 109 N 0.89 0.55 -4.24 1.70 1.57 -1.43 -3.40 116.57 112.21 1sfq h LYS 109 Ca -0.47 -0.18 -0.25 0.00 -1.87 0.00 0.00 60.65 57.89 1sfq h LYS 109 Cb 1.18 -0.05 -0.23 0.00 0.08 0.00 0.00 32.23 33.21 1sfq h LYS 109 CO 0.62 0.69 -0.73 0.15 -0.57 0.00 0.00 179.45 179.61 1sfq s LYS 110 N -4.68 0.38 0.42 3.15 1.02 -1.26 -4.99 119.74 113.77 1sfq s LYS 110 Ca -0.07 -0.52 -0.26 0.00 0.02 0.00 0.00 55.97 55.14 1sfq s LYS 110 Cb 0.14 -0.16 -0.08 0.00 -0.52 0.00 0.00 37.83 37.21 1sfq s LYS 110 CO 0.79 0.03 1.29 -1.25 -0.92 0.00 0.00 175.35 175.29 1sfq s PRO 111 N -1.09 3.90 0.14 -1.68 0.04 -1.26 -4.88 135.00 130.18 1sfq s PRO 111 Ca -0.08 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1sfq s PRO 111 Cb -0.07 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 1sfq s PRO 111 CO -0.00 -0.54 0.52 0.54 0.04 0.00 0.00 177.00 177.56 1sfq s VAL 112 N -1.29 4.92 -0.11 -0.36 0.11 0.36 -5.01 120.40 119.03 1sfq s VAL 112 Ca 0.58 0.68 -0.21 0.00 -2.93 0.00 0.00 61.98 60.11 1sfq s VAL 112 Cb -0.37 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1sfq s VAL 112 CO 0.48 0.20 0.61 0.00 -3.33 0.00 0.00 175.10 173.06 1sfq s ALA 113 N -1.51 3.43 0.85 1.54 0.00 -1.26 -4.78 121.76 120.03 1sfq s ALA 113 Ca 0.38 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1sfq s ALA 113 Cb -0.14 -2.85 0.10 0.00 0.00 0.00 0.00 23.12 20.23 1sfq s ALA 113 CO 0.19 -0.15 1.09 -0.06 0.00 0.00 0.00 175.76 176.83 1sfq s PHE 114 N 0.95 2.42 0.00 0.00 0.08 -1.26 -4.90 117.98 115.27 1sfq s PHE 114 Ca 0.32 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.71 1sfq s PHE 114 Cb -0.16 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 1sfq s PHE 114 CO 0.14 -2.18 0.00 -1.13 -0.10 0.00 0.00 175.22 171.95 1sfq n SER 115 N -3.75 0.00 0.27 1.36 3.41 -0.11 -4.93 113.62 109.87 1sfq n SER 115 Ca 0.08 -0.64 0.18 0.00 -0.26 0.00 0.00 58.87 58.22 1sfq n SER 115 Cb 0.55 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.27 1sfq n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sfq h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -1.99 -3.11 116.42 118.68 1sfq h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sfq h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sfq h ASP 116 CO 0.00 0.00 -0.22 -1.22 -1.72 0.00 0.00 179.24 176.08 1sfq n TYR 117 N -2.98 0.00 -3.86 4.55 4.01 -1.26 -4.71 117.16 112.91 1sfq n TYR 117 Ca -0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1sfq n TYR 117 Cb 0.24 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.12 1sfq n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1sfq s ILE 118 N -1.33 1.13 -0.22 -0.72 1.01 -1.17 -4.17 121.20 115.73 1sfq s ILE 118 Ca 0.05 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 1sfq s ILE 118 Cb 0.06 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 41.09 1sfq s ILE 118 CO 0.23 -0.15 0.56 -2.28 0.00 0.00 0.00 174.94 173.30 1sfq s HIS 119 N 1.58 -0.70 0.50 3.97 2.46 -0.79 -0.94 115.29 121.37 1sfq s HIS 119 Ca -0.04 1.59 -0.21 0.00 0.47 0.00 0.00 55.06 56.87 1sfq s HIS 119 Cb -0.18 0.30 -0.07 0.00 -0.13 0.00 0.00 32.58 32.50 1sfq s HIS 119 CO -0.07 -0.35 1.15 -1.25 -2.47 0.00 0.00 174.74 171.75 1sfq s PRO 120 N 0.74 3.57 0.29 2.88 0.04 -1.26 -2.25 135.00 139.00 1sfq s PRO 120 Ca -0.04 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 1sfq s PRO 120 Cb -0.05 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1sfq s PRO 120 CO -0.05 -0.69 0.50 0.54 0.04 0.00 0.00 177.00 177.33 1sfq s VAL 121 N -1.65 5.12 0.32 -0.36 0.11 -0.64 -4.91 120.40 118.38 1sfq s VAL 121 Ca 0.68 -0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 59.25 1sfq s VAL 121 Cb -0.26 -3.80 -0.08 0.00 -1.53 0.00 0.00 36.38 30.71 1sfq s VAL 121 CO 0.31 -0.39 0.71 0.00 -3.33 0.00 0.00 175.10 172.40 1sfq s LEU 123 N -3.06 4.33 0.55 0.00 1.02 -1.26 -0.93 118.68 119.33 1sfq s LEU 123 Ca 0.53 0.88 -0.18 0.00 0.02 0.00 0.00 54.13 55.37 1sfq s LEU 123 Cb -0.10 -3.12 -0.05 0.00 0.02 0.00 0.00 46.19 42.93 1sfq s LEU 123 CO 0.20 0.13 1.09 -2.16 0.02 0.00 0.00 176.35 175.63 1sfq s PRO 124 N -2.01 3.38 0.45 1.29 0.04 -1.26 -4.88 135.00 132.00 1sfq s PRO 124 Ca 0.36 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1sfq s PRO 124 Cb -0.14 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1sfq s PRO 124 CO 0.19 -0.80 0.33 0.16 0.04 0.00 0.00 177.00 176.93 1sfq s ASP 125 N -2.12 4.79 0.17 6.66 1.47 -1.26 -4.90 116.67 121.48 1sfq s ASP 125 Ca 0.69 -0.95 -0.17 0.00 1.18 0.00 0.00 52.55 53.30 1sfq s ASP 125 Cb -0.20 -0.32 0.11 0.00 -0.34 0.00 0.00 42.92 42.16 1sfq s ASP 125 CO 0.29 -0.73 1.66 -0.09 0.68 0.00 0.00 175.17 176.98 1sfq h ARG 126 N 1.06 -0.03 -0.56 2.11 2.43 -1.98 -2.17 114.38 115.24 1sfq h ARG 126 Ca -0.41 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1sfq h ARG 126 Cb 1.27 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 1sfq h ARG 126 CO 0.61 -0.02 0.34 1.49 -1.51 0.00 0.00 179.97 180.87 1sfq h GLU 127 N -0.03 0.64 -0.53 0.20 4.57 -2.04 -1.56 114.58 115.84 1sfq h GLU 127 Ca 0.20 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1sfq h GLU 127 Cb 0.34 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1sfq h GLU 127 CO -0.44 0.43 0.00 2.41 -1.18 0.00 0.00 179.01 180.22 1sfq n THR 128 N -4.77 0.04 0.00 0.32 -1.04 -0.82 -1.49 114.28 106.53 1sfq n THR 128 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1sfq n THR 128 Cb 0.08 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1sfq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sfq n ALA 129 N 0.52 0.00 0.11 2.41 0.00 -0.59 -0.84 120.51 122.12 1sfq n ALA 129 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1sfq n ALA 129 Cb 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 1sfq n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sfq h SER 129 N 0.00 0.44 0.26 0.00 4.64 -1.51 -3.39 113.55 114.00 1sfq h SER 129 Ca 0.00 -0.48 -0.31 0.00 -0.47 0.00 0.00 61.79 60.53 1sfq h SER 129 Cb 0.00 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 61.89 1sfq h SER 129 CO 0.00 1.37 -2.01 0.18 -0.87 0.00 0.00 176.83 175.50 1sfq n LEU 129 N -3.54 0.44 -3.76 5.97 4.77 -0.02 -4.64 117.00 116.22 1sfq n LEU 129 Ca -0.09 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1sfq n LEU 129 Cb 1.03 0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 42.42 1sfq n LEU 129 CO 0.54 0.41 2.53 0.18 -1.33 0.00 0.00 177.39 179.73 1sfq n LEU 130 N -2.87 6.20 -4.21 2.23 4.77 -1.26 -4.82 117.00 117.04 1sfq n LEU 130 Ca -0.23 -3.88 -0.26 0.00 -0.03 0.00 0.00 56.01 51.61 1sfq n LEU 130 Cb 1.07 -1.56 -0.15 0.00 -2.33 0.00 0.00 43.42 40.45 1sfq n LEU 130 CO 0.44 0.75 -0.52 -1.10 -1.33 0.00 0.00 177.39 175.63 1sfq s GLN 131 N 3.63 1.51 0.34 3.23 -1.52 -1.26 -4.92 119.66 120.67 1sfq s GLN 131 Ca 0.50 -0.77 -0.28 0.00 -1.95 0.00 0.00 55.36 52.85 1sfq s GLN 131 Cb 0.13 -1.51 -0.12 0.00 -0.22 0.00 0.00 33.01 31.29 1sfq s GLN 131 CO -0.04 0.41 1.33 0.00 -0.25 0.00 0.00 175.29 176.74 1sfq n ALA 132 N 2.37 1.47 0.00 6.09 0.00 -1.26 -1.70 120.51 127.47 1sfq n ALA 132 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1sfq n ALA 132 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1sfq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfq n GLY 133 N 0.84 3.01 3.76 0.00 0.00 1.00 -4.93 105.19 108.87 1sfq n GLY 133 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1sfq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfq s TYR 134 N -2.27 3.70 -0.00 1.61 1.51 -0.69 -4.66 117.35 116.55 1sfq s TYR 134 Ca 0.00 1.78 -0.02 0.00 -1.01 0.00 0.00 57.07 57.82 1sfq s TYR 134 Cb 0.00 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1sfq s TYR 134 CO 0.00 -0.06 0.19 0.15 -1.11 0.00 0.00 175.55 174.71 1sfq s LYS 135 N -1.63 3.44 0.41 -0.62 1.02 -1.26 -0.67 119.74 120.41 1sfq s LYS 135 Ca 0.46 -0.33 0.04 0.00 0.02 0.00 0.00 55.97 56.16 1sfq s LYS 135 Cb -0.26 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1sfq s LYS 135 CO 0.32 0.67 0.05 0.20 -0.92 0.00 0.00 175.35 175.68 1sfq s GLY 136 N -2.00 2.52 -0.06 -3.33 0.00 -0.14 -4.84 107.32 99.48 1sfq s GLY 136 Ca 0.28 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.54 1sfq s GLY 136 CO 0.20 -1.97 -0.21 -1.60 0.00 0.00 0.00 173.10 169.52 1sfq s ARG 137 N -3.81 2.32 -0.02 2.90 3.52 0.90 -0.27 118.95 124.50 1sfq s ARG 137 Ca 0.26 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 55.16 1sfq s ARG 137 Cb 0.06 -1.92 -0.02 0.00 -1.56 0.00 0.00 34.95 31.50 1sfq s ARG 137 CO 0.13 0.27 -0.22 0.08 -0.81 0.00 0.00 175.30 174.75 1sfq s VAL 138 N 0.06 2.41 0.07 7.11 1.01 0.12 -0.94 120.40 130.24 1sfq s VAL 138 Ca -0.07 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1sfq s VAL 138 Cb -0.14 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1sfq s VAL 138 CO 0.04 0.55 -0.12 0.42 0.00 0.00 0.00 175.10 176.00 1sfq s THR 139 N -0.68 0.92 0.00 3.92 -4.23 -1.23 -1.52 115.64 112.83 1sfq s THR 139 Ca 0.11 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1sfq s THR 139 Cb -0.10 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1sfq s THR 139 CO 0.00 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1sfq n GLY 140 N 1.19 0.97 0.86 3.99 0.00 -0.85 -4.52 105.19 106.83 1sfq n GLY 140 Ca -0.21 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.00 1sfq n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sfq n TRP 141 N -0.34 0.86 -1.13 1.61 8.01 -1.26 -1.67 117.44 123.53 1sfq n TRP 141 Ca 0.00 -0.80 -0.26 0.00 -1.31 0.00 0.00 57.50 55.13 1sfq n TRP 141 Cb 0.00 -0.26 0.21 0.00 -2.01 0.00 0.00 31.31 29.25 1sfq n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sfq n GLY 142 N -0.28 -2.51 3.67 6.99 0.00 -1.25 -4.54 105.19 107.28 1sfq n GLY 142 Ca 0.19 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1sfq n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sfq n ASN 143 N -4.48 2.49 0.11 1.61 3.02 -0.15 -3.17 115.26 114.69 1sfq n ASN 143 Ca 0.13 1.19 0.13 0.00 -0.03 0.00 0.00 54.58 56.01 1sfq n ASN 143 Cb 0.51 -1.44 0.40 0.00 -0.61 0.00 0.00 39.78 38.65 1sfq n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sfq n LEU 144 N 1.09 0.82 -3.71 3.41 4.77 0.85 -0.95 117.00 123.27 1sfq n LEU 144 Ca 0.07 0.58 -0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1sfq n LEU 144 Cb 0.34 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1sfq n LEU 144 CO 0.62 -0.18 0.13 -0.54 -1.33 0.00 0.00 177.39 176.08 1sfq s LYS 145 N -3.10 1.09 0.21 3.23 1.02 -1.26 -4.26 119.74 116.68 1sfq s LYS 145 Ca 0.11 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 1sfq s LYS 145 Cb 0.12 0.45 -0.10 0.00 -0.52 0.00 0.00 37.83 37.79 1sfq s LYS 145 CO 0.60 -0.42 1.43 -2.00 -0.92 0.00 0.00 175.35 174.04 1sfq s GLU 146 N -3.84 4.28 0.13 1.68 2.12 -1.26 -4.77 118.70 117.05 1sfq s GLU 146 Ca 0.05 2.25 -0.30 0.00 0.36 0.00 0.00 54.97 57.33 1sfq s GLU 146 Cb 0.02 -3.14 -0.06 0.00 0.26 0.00 0.00 34.13 31.20 1sfq s GLU 146 CO -0.09 -0.42 1.05 0.99 -0.54 0.00 0.00 175.26 176.25 1sfq s THR 147 N 0.30 4.18 -0.07 -1.70 2.01 -1.26 -5.01 115.64 114.09 1sfq s THR 147 Ca 0.61 1.79 0.21 0.00 0.31 0.00 0.00 61.69 64.61 1sfq s THR 147 Cb -0.41 -4.14 -0.31 0.00 0.01 0.00 0.00 72.50 67.65 1sfq s THR 147 CO 0.39 0.26 0.37 0.79 -0.69 0.00 0.00 174.62 175.75 1sfq n TRP 148 N 2.81 0.00 0.00 4.92 8.01 -1.26 -5.06 117.44 126.86 1sfq n TRP 148 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 1sfq n TRP 148 Cb 0.48 -0.61 0.00 0.00 -2.01 0.00 0.00 31.31 29.17 1sfq n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sfq n GLY 150 N 1.40 2.59 3.72 6.99 0.00 -1.26 -5.32 105.19 113.31 1sfq n GLY 150 Ca -0.11 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1sfq n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sfq s GLN 151 N -1.04 3.57 0.64 1.61 -1.52 -1.26 -0.11 119.66 121.55 1sfq s GLN 151 Ca 0.00 -0.29 -0.12 0.00 -1.95 0.00 0.00 55.36 52.99 1sfq s GLN 151 Cb 0.00 -3.10 -0.02 0.00 -0.22 0.00 0.00 33.01 29.66 1sfq s GLN 151 CO 0.00 0.53 1.04 -1.25 -0.25 0.00 0.00 175.29 175.36 1sfq s PRO 152 N -0.36 3.31 0.15 2.91 0.04 -1.26 -4.97 135.00 134.82 1sfq s PRO 152 Ca 0.09 0.93 0.10 0.00 0.04 0.00 0.00 61.00 62.17 1sfq s PRO 152 Cb -0.12 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1sfq s PRO 152 CO 0.02 -0.80 1.25 0.66 0.04 0.00 0.00 177.00 178.17 1sfq h SER 153 N -0.24 0.00 -5.24 6.66 4.64 -1.97 -3.42 113.55 113.98 1sfq h SER 153 Ca -0.45 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.64 1sfq h SER 153 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1sfq h SER 153 CO 0.59 0.83 -0.64 0.68 -0.87 0.00 0.00 176.83 177.42 1sfq s VAL 154 N -2.78 0.21 0.15 0.95 -7.23 -1.26 -0.89 120.40 109.54 1sfq s VAL 154 Ca 0.01 -1.95 -0.34 0.00 -1.81 0.00 0.00 61.98 57.89 1sfq s VAL 154 Cb 0.09 -2.22 -0.15 0.00 0.56 0.00 0.00 36.38 34.65 1sfq s VAL 154 CO 0.80 -0.31 1.36 -0.11 -0.31 0.00 0.00 175.10 176.53 1sfq n LEU 155 N -0.19 2.14 -4.88 1.32 7.94 0.43 -4.81 117.00 118.95 1sfq n LEU 155 Ca -0.03 1.12 -0.28 0.00 -1.11 0.00 0.00 56.01 55.71 1sfq n LEU 155 Cb 0.64 -1.28 -0.04 0.00 0.53 0.00 0.00 43.42 43.27 1sfq n LEU 155 CO 0.32 -0.87 -0.16 -1.10 -1.11 0.00 0.00 177.39 174.47 1sfq s GLN 156 N 0.22 3.23 0.02 1.96 -1.52 -0.67 -0.77 119.66 122.14 1sfq s GLN 156 Ca 0.78 -0.64 0.01 0.00 -1.95 0.00 0.00 55.36 53.56 1sfq s GLN 156 Cb -0.82 -2.87 -0.02 0.00 -0.22 0.00 0.00 33.01 29.08 1sfq s GLN 156 CO 0.47 0.54 -0.05 0.54 -0.25 0.00 0.00 175.29 176.53 1sfq s VAL 157 N -1.64 0.37 -0.16 1.09 0.11 0.45 -2.00 120.40 118.62 1sfq s VAL 157 Ca 0.33 -0.75 -0.15 0.00 -2.93 0.00 0.00 61.98 58.48 1sfq s VAL 157 Cb -0.11 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1sfq s VAL 157 CO 0.26 -0.26 0.43 0.54 -3.33 0.00 0.00 175.10 172.74 1sfq s VAL 158 N -0.99 -0.00 -0.16 2.04 0.11 -0.57 -1.23 120.40 119.61 1sfq s VAL 158 Ca -0.08 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1sfq s VAL 158 Cb -0.07 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1sfq s VAL 158 CO -0.00 0.00 0.12 0.20 -3.33 0.00 0.00 175.10 172.09 1sfq s ASN 159 N 0.29 6.16 -0.02 3.54 0.01 -1.26 -0.70 114.94 122.96 1sfq s ASN 159 Ca -0.01 0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 52.41 1sfq s ASN 159 Cb -0.03 -2.03 0.00 0.00 0.41 0.00 0.00 41.25 39.60 1sfq s ASN 159 CO -0.00 0.28 0.10 -0.76 -1.51 0.00 0.00 177.10 175.21 1sfq s LEU 160 N -0.28 1.65 0.19 0.60 1.43 0.63 -4.95 118.68 117.95 1sfq s LEU 160 Ca 0.11 0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 1sfq s LEU 160 Cb -0.12 0.44 -0.08 0.00 0.03 0.00 0.00 46.19 46.46 1sfq s LEU 160 CO 0.01 -0.17 0.72 -2.16 0.23 0.00 0.00 176.35 174.98 1sfq s PRO 161 N -0.57 4.33 0.37 1.29 0.04 -1.26 -0.96 135.00 138.24 1sfq s PRO 161 Ca -0.06 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 61.63 1sfq s PRO 161 Cb -0.04 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 1sfq s PRO 161 CO 0.00 0.47 1.26 0.42 0.04 0.00 0.00 177.00 179.20 1sfq s ILE 162 N -1.37 2.83 -0.01 0.56 1.01 0.15 -1.45 121.20 122.92 1sfq s ILE 162 Ca 0.39 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.83 1sfq s ILE 162 Cb -0.19 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1sfq s ILE 162 CO 0.22 0.14 -0.02 -0.69 0.00 0.00 0.00 174.94 174.59 1sfq s VAL 163 N -1.24 4.00 0.34 2.92 1.01 -0.72 -0.00 120.40 126.71 1sfq s VAL 163 Ca 0.53 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 1sfq s VAL 163 Cb -0.37 -2.76 -0.12 0.00 0.00 0.00 0.00 36.38 33.14 1sfq s VAL 163 CO 0.47 0.41 1.42 -0.62 0.00 0.00 0.00 175.10 176.78 1sfq n GLU 164 N 1.53 2.42 -0.29 2.72 4.71 -1.26 -4.61 120.64 125.86 1sfq n GLU 164 Ca -0.15 0.85 0.07 0.00 -0.01 0.00 0.00 57.16 57.92 1sfq n GLU 164 Cb 0.53 -2.52 0.22 0.00 -1.01 0.00 0.00 31.44 28.66 1sfq n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1sfq h ARG 165 N 3.07 0.56 -1.00 3.49 2.43 -1.98 -1.69 114.38 119.26 1sfq h ARG 165 Ca -0.48 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1sfq h ARG 165 Cb 1.26 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 1sfq h ARG 165 CO 0.66 0.37 0.65 -1.35 -1.51 0.00 0.00 179.97 178.79 1sfq h PRO 166 N 0.58 1.23 -0.51 0.20 0.11 -1.99 0.20 132.00 131.82 1sfq h PRO 166 Ca 0.46 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.37 1sfq h PRO 166 Cb 0.67 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1sfq h PRO 166 CO -0.38 0.81 -0.16 0.28 -0.21 0.00 0.00 178.00 178.35 1sfq h VAL 167 N 1.27 1.27 -0.21 3.15 2.07 -1.70 -0.90 116.25 121.19 1sfq h VAL 167 Ca 0.40 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1sfq h VAL 167 Cb -0.01 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1sfq h VAL 167 CO -0.12 0.46 0.11 0.00 0.02 0.00 0.00 177.57 178.04 1sfq h LYS 169 N 0.23 0.55 0.00 0.00 3.64 -0.49 -2.68 116.57 117.83 1sfq h LYS 169 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1sfq h LYS 169 Cb 0.08 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1sfq h LYS 169 CO -0.01 0.37 0.00 -0.25 -2.27 0.00 0.00 179.45 177.28 1sfq n ASP 170 N -4.82 0.00 -0.05 4.20 8.00 -0.36 -3.38 116.55 120.15 1sfq n ASP 170 Ca 0.03 -0.27 0.13 0.00 0.71 0.00 0.00 54.79 55.39 1sfq n ASP 170 Cb 0.07 -0.24 0.45 0.00 -0.02 0.00 0.00 41.12 41.38 1sfq n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sfq n SER 171 N -1.24 0.42 -3.78 -2.24 3.41 -0.83 -4.93 113.62 104.42 1sfq n SER 171 Ca 0.16 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 1sfq n SER 171 Cb 0.22 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.07 1sfq n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sfq s THR 172 N -2.82 0.10 -0.69 6.66 -1.32 -1.22 -4.83 115.64 111.53 1sfq s THR 172 Ca 0.18 -0.83 0.24 0.00 -1.21 0.00 0.00 61.69 60.07 1sfq s THR 172 Cb 0.19 -1.05 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 1sfq s THR 172 CO 0.58 -0.46 1.32 0.54 -2.21 0.00 0.00 174.62 174.40 1sfq n ARG 173 N 0.36 0.25 -2.45 7.08 3.00 -1.26 -4.87 116.66 118.76 1sfq n ARG 173 Ca -0.17 0.07 -0.38 0.00 -0.01 0.00 0.00 57.85 57.35 1sfq n ARG 173 Cb 0.61 -1.65 -0.03 0.00 0.00 0.00 0.00 32.46 31.38 1sfq n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1sfq s ILE 174 N -3.14 3.50 -0.20 0.55 1.01 -1.26 -4.97 121.20 116.69 1sfq s ILE 174 Ca 0.07 1.26 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 1sfq s ILE 174 Cb 0.14 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1sfq s ILE 174 CO 0.72 0.12 1.25 -0.60 0.00 0.00 0.00 174.94 176.42 1sfq s ARG 175 N -2.19 4.18 0.23 2.79 3.52 -1.26 -5.03 118.95 121.19 1sfq s ARG 175 Ca 0.54 1.56 -0.01 0.00 -0.13 0.00 0.00 55.73 57.69 1sfq s ARG 175 Cb -0.27 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 1sfq s ARG 175 CO 0.34 -0.77 0.42 0.96 -0.81 0.00 0.00 175.30 175.44 1sfq s ILE 176 N 3.62 5.18 0.35 4.11 -4.36 -1.26 -4.88 121.20 123.96 1sfq s ILE 176 Ca 0.54 -0.36 0.04 0.00 -0.26 0.00 0.00 60.65 60.61 1sfq s ILE 176 Cb -0.20 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.72 1sfq s ILE 176 CO 0.15 -0.23 0.13 0.42 0.24 0.00 0.00 174.94 175.64 1sfq s THR 177 N -1.94 0.61 -1.55 8.37 -4.23 -1.26 -5.02 115.64 110.62 1sfq s THR 177 Ca 0.39 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.12 1sfq s THR 177 Cb -0.11 -2.50 0.44 0.00 1.34 0.00 0.00 72.50 71.67 1sfq s THR 177 CO 0.30 0.00 1.71 0.47 -0.54 0.00 0.00 174.62 176.56 1sfq n ASP 178 N -1.04 0.00 -0.84 3.99 8.00 -1.26 -2.02 116.55 123.38 1sfq n ASP 178 Ca -0.03 -0.17 0.06 0.00 0.71 0.00 0.00 54.79 55.37 1sfq n ASP 178 Cb 0.65 -0.23 0.19 0.00 -0.02 0.00 0.00 41.12 41.71 1sfq n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sfq n ASN 179 N -1.23 2.43 -4.07 -2.24 3.02 -1.26 -4.84 115.26 107.08 1sfq n ASN 179 Ca 0.12 -2.09 -0.11 0.00 -0.03 0.00 0.00 54.58 52.46 1sfq n ASN 179 Cb 0.15 -0.33 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 1sfq n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sfq s MET 180 N -1.55 0.56 0.05 3.52 -1.94 -0.85 -1.02 119.30 118.07 1sfq s MET 180 Ca 0.28 -0.90 -0.00 0.00 -1.71 0.00 0.00 55.69 53.35 1sfq s MET 180 Cb 0.16 -0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.83 1sfq s MET 180 CO 0.17 -0.00 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.55 1sfq s PHE 181 N -2.16 0.55 0.25 -0.03 -0.12 -0.41 -4.80 117.98 111.26 1sfq s PHE 181 Ca -0.05 -0.98 0.11 0.00 -0.05 0.00 0.00 56.93 55.96 1sfq s PHE 181 Cb -0.05 -0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 1sfq s PHE 181 CO -0.02 -0.32 -0.19 0.00 -0.05 0.00 0.00 175.22 174.63 1sfq s ALA 183 N -2.52 -0.76 0.00 0.00 0.00 -0.64 -1.76 121.76 116.09 1sfq s ALA 183 Ca 0.27 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1sfq s ALA 183 Cb -0.04 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1sfq s ALA 183 CO 0.12 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1sfq n GLY 184 N 0.52 3.21 3.86 0.00 0.00 -0.53 -2.05 105.19 110.19 1sfq n GLY 184 Ca -0.18 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 1sfq n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfq s TYR 184 N -2.00 3.39 0.51 1.61 2.02 -1.26 -4.50 117.35 117.12 1sfq s TYR 184 Ca 0.00 1.16 -0.15 0.00 -0.37 0.00 0.00 57.07 57.70 1sfq s TYR 184 Cb 0.00 -2.49 -0.07 0.00 -0.40 0.00 0.00 41.96 38.99 1sfq s TYR 184 CO 0.00 0.08 0.97 0.15 -1.57 0.00 0.00 175.55 175.17 1sfq s LYS 185 N -3.10 3.90 0.28 -0.62 1.02 -1.26 -4.78 119.74 115.18 1sfq s LYS 185 Ca 0.53 0.89 -0.01 0.00 0.02 0.00 0.00 55.97 57.40 1sfq s LYS 185 Cb -0.10 -2.16 0.64 0.00 -0.52 0.00 0.00 37.83 35.69 1sfq s LYS 185 CO 0.20 -0.27 1.64 -1.35 -0.92 0.00 0.00 175.35 174.64 1sfq h PRO 186 N 0.86 0.15 -0.03 -1.68 0.11 -1.95 -0.90 132.00 128.56 1sfq h PRO 186 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sfq h PRO 186 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sfq h PRO 186 CO 0.62 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 1sfq n ASP 186 N -5.29 0.21 -0.31 -2.05 5.68 -1.26 -3.92 116.55 109.61 1sfq n ASP 186 Ca 0.19 -1.64 0.13 0.00 -0.50 0.00 0.00 54.79 52.97 1sfq n ASP 186 Cb 0.63 -0.02 0.43 0.00 -1.14 0.00 0.00 41.12 41.03 1sfq n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1sfq n GLU 186 N -0.56 1.07 0.00 0.11 1.02 -0.34 -4.98 120.64 116.95 1sfq n GLU 186 Ca 0.10 -0.62 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 1sfq n GLU 186 Cb 0.07 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1sfq n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sfq n GLY 186 N 1.29 2.07 3.68 0.62 0.00 -1.25 -4.95 105.19 106.64 1sfq n GLY 186 Ca 0.14 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1sfq n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sfq n LYS 186 N 0.00 0.08 -2.80 1.61 5.02 -1.26 -5.04 118.16 115.77 1sfq n LYS 186 Ca 0.00 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 1sfq n LYS 186 Cb 0.00 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 32.58 1sfq n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sfq n ARG 187 N -3.36 0.66 0.00 1.97 1.74 -1.26 -4.72 116.66 111.69 1sfq n ARG 187 Ca 0.13 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 1sfq n ARG 187 Cb 0.51 0.70 0.00 0.00 -1.02 0.00 0.00 32.46 32.65 1sfq n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfq n GLY 188 N 0.93 4.36 3.60 -0.13 0.00 -1.26 -4.90 105.19 107.80 1sfq n GLY 188 Ca -0.01 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 1sfq n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sfq s ASP 189 N 0.00 -0.13 0.82 1.61 2.15 -0.91 -4.64 116.67 115.57 1sfq s ASP 189 Ca 0.00 -0.03 -0.09 0.00 0.43 0.00 0.00 52.55 52.86 1sfq s ASP 189 Cb 0.00 0.16 0.14 0.00 -0.30 0.00 0.00 42.92 42.91 1sfq s ASP 189 CO 0.00 -0.26 1.14 0.00 -0.17 0.00 0.00 175.17 175.88 1sfq s ALA 190 N -2.45 2.90 0.39 3.66 0.00 -1.26 -0.03 121.76 124.97 1sfq s ALA 190 Ca 0.10 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 1sfq s ALA 190 Cb 0.00 -2.53 0.05 0.00 0.00 0.00 0.00 23.12 20.64 1sfq s ALA 190 CO -0.04 -1.83 0.74 0.00 0.00 0.00 0.00 175.76 174.63 1sfq n GLU 192 N -0.55 2.26 0.00 0.00 4.71 -1.26 -1.26 120.64 124.53 1sfq n GLU 192 Ca -0.07 0.80 0.00 0.00 -0.01 0.00 0.00 57.16 57.88 1sfq n GLU 192 Cb 0.60 -2.49 0.00 0.00 -1.01 0.00 0.00 31.44 28.54 1sfq n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sfq n GLY 193 N 1.94 3.35 0.02 0.62 0.00 -1.26 -0.98 105.19 108.89 1sfq n GLY 193 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1sfq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sfq n ASP 194 N 0.00 0.40 -4.53 1.61 8.00 -0.39 -3.84 116.55 117.80 1sfq n ASP 194 Ca 0.00 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 1sfq n ASP 194 Cb 0.00 -0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1sfq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sfq n SER 195 N -1.66 0.31 0.00 -2.24 7.64 -1.26 -1.56 113.62 114.85 1sfq n SER 195 Ca 0.06 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1sfq n SER 195 Cb 0.36 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1sfq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sfq n GLY 196 N 1.48 3.20 3.76 0.23 0.00 -0.52 -0.09 105.19 113.24 1sfq n GLY 196 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1sfq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfq s GLY 197 N -1.91 2.47 0.25 -0.02 0.00 -0.60 -2.95 107.32 104.57 1sfq s GLY 197 Ca 0.00 0.81 -0.19 0.00 0.00 0.00 0.00 44.72 45.34 1sfq s GLY 197 CO 0.00 1.18 0.74 2.56 0.00 0.00 0.00 173.10 177.59 1sfq s PRO 198 N -3.65 4.23 -0.34 2.90 0.04 -1.26 -0.77 135.00 136.16 1sfq s PRO 198 Ca 0.73 0.87 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 1sfq s PRO 198 Cb -0.26 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.53 1sfq s PRO 198 CO 0.36 0.34 0.11 0.12 0.04 0.00 0.00 177.00 177.97 1sfq s PHE 199 N -1.61 3.26 0.24 0.56 2.19 -0.37 -3.54 117.98 118.71 1sfq s PHE 199 Ca 0.45 -1.41 0.10 0.00 0.33 0.00 0.00 56.93 56.41 1sfq s PHE 199 Cb -0.16 -2.29 -0.05 0.00 -1.31 0.00 0.00 43.02 39.22 1sfq s PHE 199 CO 0.20 -0.73 -0.13 0.14 1.83 0.00 0.00 175.22 176.54 1sfq s VAL 200 N 1.41 2.90 0.02 3.12 -7.23 -0.12 -0.95 120.40 119.54 1sfq s VAL 200 Ca -0.01 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1sfq s VAL 200 Cb -0.20 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1sfq s VAL 200 CO 0.03 -0.28 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.46 1sfq s MET 201 N -3.25 0.35 -0.26 4.82 -1.94 -0.45 -0.07 119.30 118.50 1sfq s MET 201 Ca 0.28 -0.49 -0.10 0.00 -1.71 0.00 0.00 55.69 53.67 1sfq s MET 201 Cb -0.07 -0.12 -0.05 0.00 2.01 0.00 0.00 34.83 36.60 1sfq s MET 201 CO 0.16 0.02 0.15 0.21 -0.01 0.00 0.00 175.02 175.54 1sfq s LYS 202 N -1.04 3.93 -0.16 2.03 2.20 -1.26 -1.11 119.74 124.33 1sfq s LYS 202 Ca -0.09 -0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 1sfq s LYS 202 Cb -0.07 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1sfq s LYS 202 CO -0.00 -0.09 1.47 0.45 -0.36 0.00 0.00 175.35 176.82 1sfq s SER 203 N 1.45 6.69 0.58 1.43 0.15 -0.11 -4.89 113.70 119.00 1sfq s SER 203 Ca 0.07 1.77 0.35 0.00 0.70 0.00 0.00 55.95 58.84 1sfq s SER 203 Cb -0.15 -2.54 1.71 0.00 -1.71 0.00 0.00 66.02 63.33 1sfq s SER 203 CO 0.07 -0.97 2.12 -0.65 1.20 0.00 0.00 173.24 175.02 1sfq h PRO 204 N 9.34 0.00 0.25 5.44 0.11 -1.95 0.26 132.00 145.44 1sfq h PRO 204 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1sfq h PRO 204 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1sfq h PRO 204 CO 0.98 0.04 -0.12 0.35 -0.21 0.00 0.00 178.00 179.04 1sfq h PHE 204 N 0.00 -0.31 -0.25 0.65 3.57 -1.97 -3.38 116.94 115.26 1sfq h PHE 204 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sfq h PHE 204 Cb 0.32 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1sfq h PHE 204 CO 0.00 0.06 0.00 0.27 -2.23 0.00 0.00 178.31 176.41 1sfq n ASN 204 N -5.01 2.64 0.00 0.41 2.04 -1.20 -5.00 115.26 109.13 1sfq n ASN 204 Ca -0.08 -1.95 0.00 0.00 -0.44 0.00 0.00 54.58 52.11 1sfq n ASN 204 Cb 0.26 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 1sfq n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1sfq n ASN 205 N 0.30 -5.26 -4.92 0.53 5.15 0.92 -4.98 115.26 107.00 1sfq n ASN 205 Ca 0.09 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.80 1sfq n ASN 205 Cb 0.37 -3.04 -0.01 0.00 -0.53 0.00 0.00 39.78 36.57 1sfq n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1sfq s ARG 206 N -1.68 3.54 -0.16 1.20 0.52 -1.25 -4.77 118.95 116.36 1sfq s ARG 206 Ca 0.00 -0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.01 1sfq s ARG 206 Cb 0.00 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 1sfq s ARG 206 CO 0.00 0.05 0.27 -1.58 0.02 0.00 0.00 175.30 174.06 1sfq s TRP 207 N -2.40 3.47 -0.02 -0.53 0.52 -1.26 -0.93 118.94 117.79 1sfq s TRP 207 Ca 0.43 0.57 0.07 0.00 0.02 0.00 0.00 56.10 57.20 1sfq s TRP 207 Cb -0.10 -2.30 -0.02 0.00 -1.15 0.00 0.00 33.47 29.90 1sfq s TRP 207 CO 0.37 0.28 -0.24 0.71 0.02 0.00 0.00 176.95 178.09 1sfq s TYR 208 N 0.34 2.39 -0.49 -1.98 2.02 -0.26 -1.89 117.35 117.48 1sfq s TYR 208 Ca 0.16 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.27 1sfq s TYR 208 Cb -0.13 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1sfq s TYR 208 CO 0.03 0.02 0.65 -1.14 -1.57 0.00 0.00 175.55 173.54 1sfq s GLN 209 N -0.72 3.19 0.06 -0.62 0.74 -0.11 -1.34 119.66 120.85 1sfq s GLN 209 Ca 0.11 -0.66 0.14 0.00 0.05 0.00 0.00 55.36 54.99 1sfq s GLN 209 Cb -0.10 -4.04 -0.15 0.00 1.10 0.00 0.00 33.01 29.81 1sfq s GLN 209 CO -0.00 -1.17 0.88 0.52 -0.55 0.00 0.00 175.29 174.97 1sfq h MET 210 N 8.98 0.00 -4.29 1.67 2.86 -1.38 -3.38 114.93 119.39 1sfq h MET 210 Ca -0.27 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.15 1sfq h MET 210 Cb 1.09 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.64 1sfq h MET 210 CO 0.95 0.45 -0.38 0.20 1.06 0.00 0.00 176.91 179.18 1sfq s GLY 211 N -4.85 1.33 -0.08 8.32 0.00 -0.78 -1.95 107.32 109.30 1sfq s GLY 211 Ca -0.02 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1sfq s GLY 211 CO 0.81 -1.12 -0.14 -0.42 0.00 0.00 0.00 173.10 172.23 1sfq s ILE 212 N -3.81 1.34 0.07 0.90 1.01 -0.85 -1.23 121.20 118.63 1sfq s ILE 212 Ca 0.33 -0.58 -0.33 0.00 0.00 0.00 0.00 60.65 60.07 1sfq s ILE 212 Cb 0.03 -1.22 -0.12 0.00 0.01 0.00 0.00 42.46 41.16 1sfq s ILE 212 CO 0.15 0.40 1.74 0.52 0.00 0.00 0.00 174.94 177.75 1sfq n VAL 213 N 3.95 0.27 0.04 2.92 0.31 0.05 -0.49 118.33 125.38 1sfq n VAL 213 Ca -0.21 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1sfq n VAL 213 Cb 0.52 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1sfq n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sfq n SER 214 N 4.97 0.64 -3.53 4.52 2.88 -0.71 -1.44 113.62 120.95 1sfq n SER 214 Ca 0.19 0.12 -0.08 0.00 -1.33 0.00 0.00 58.87 57.78 1sfq n SER 214 Cb 0.31 -0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 1sfq n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sfq s TRP 215 N -2.00 -0.05 0.03 0.66 1.48 -0.94 -4.93 118.94 113.20 1sfq s TRP 215 Ca 0.00 -0.49 -0.05 0.00 -1.06 0.00 0.00 56.10 54.51 1sfq s TRP 215 Cb 0.00 0.73 0.02 0.00 -1.16 0.00 0.00 33.47 33.06 1sfq s TRP 215 CO 0.00 -1.35 0.22 0.41 -4.06 0.00 0.00 176.95 172.18 1sfq n GLY 216 N -0.48 1.01 2.63 3.67 0.00 -1.26 -0.46 105.19 110.31 1sfq n GLY 216 Ca -0.05 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 1sfq n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sfq s GLU 217 N -2.01 0.38 1.86 1.61 2.02 -1.26 -5.04 118.70 116.27 1sfq s GLU 217 Ca 0.05 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1sfq s GLU 217 Cb -0.00 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.58 1sfq s GLU 217 CO 0.01 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.81 1sfq n GLY 219 N 5.12 -1.20 2.98 -1.39 0.00 -1.26 -4.79 105.19 104.65 1sfq n GLY 219 Ca -0.06 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1sfq n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfq n ASP 221 N 3.94 -5.83 -4.80 0.00 2.03 -1.26 -4.58 116.55 106.04 1sfq n ASP 221 Ca -0.23 -0.03 -0.34 0.00 0.52 0.00 0.00 54.79 54.71 1sfq n ASP 221 Cb 0.54 -4.85 -0.06 0.00 -0.72 0.00 0.00 41.12 36.03 1sfq n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sfq s ARG 221 N -5.10 4.28 0.19 -0.67 0.52 -1.26 -4.91 118.95 111.99 1sfq s ARG 221 Ca 0.03 1.23 -0.31 0.00 -0.52 0.00 0.00 55.73 56.16 1sfq s ARG 221 Cb -0.01 -2.37 -0.10 0.00 0.52 0.00 0.00 34.95 32.99 1sfq s ARG 221 CO 0.03 0.01 1.48 -0.51 0.02 0.00 0.00 175.30 176.33 1sfq s ASP 222 N -1.95 6.66 0.00 0.23 1.11 -1.26 -2.15 116.67 119.30 1sfq s ASP 222 Ca 0.59 2.59 0.00 0.00 0.18 0.00 0.00 52.55 55.90 1sfq s ASP 222 Cb -0.13 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1sfq s ASP 222 CO 0.18 -0.74 0.00 0.61 1.18 0.00 0.00 175.17 176.40 1sfq n GLY 223 N 3.03 0.71 3.51 0.21 0.00 -1.26 -5.01 105.19 106.38 1sfq n GLY 223 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1sfq n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfq s LYS 224 N -0.10 1.82 0.01 1.61 -0.14 -0.92 -4.77 119.74 117.26 1sfq s LYS 224 Ca 0.00 -1.56 -0.01 0.00 -1.36 0.00 0.00 55.97 53.04 1sfq s LYS 224 Cb 0.00 -1.93 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 1sfq s LYS 224 CO 0.00 0.37 -0.01 0.71 -0.76 0.00 0.00 175.35 175.66 1sfq s TYR 225 N -2.13 0.19 0.37 3.18 2.02 -1.26 -4.72 117.35 114.99 1sfq s TYR 225 Ca 0.27 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 56.32 1sfq s TYR 225 Cb -0.07 -0.14 -0.09 0.00 -0.40 0.00 0.00 41.96 41.26 1sfq s TYR 225 CO 0.15 -0.16 1.03 0.20 -1.57 0.00 0.00 175.55 175.19 1sfq s GLY 226 N -1.18 2.79 -0.03 0.71 0.00 -0.87 -4.73 107.32 104.00 1sfq s GLY 226 Ca -0.13 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.28 1sfq s GLY 226 CO -0.01 1.13 -0.03 -1.36 0.00 0.00 0.00 173.10 172.84 1sfq s PHE 227 N -1.59 3.02 0.02 1.90 0.40 0.40 -1.62 117.98 120.51 1sfq s PHE 227 Ca 0.54 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.98 1sfq s PHE 227 Cb -0.22 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 1sfq s PHE 227 CO 0.28 0.42 -0.13 0.71 0.70 0.00 0.00 175.22 177.20 1sfq s TYR 228 N -0.98 1.14 0.16 0.36 1.51 0.32 -1.74 117.35 118.12 1sfq s TYR 228 Ca 0.16 -0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 55.63 1sfq s TYR 228 Cb -0.11 -0.70 -0.08 0.00 -0.11 0.00 0.00 41.96 40.95 1sfq s TYR 228 CO 0.06 0.01 1.32 0.99 -1.11 0.00 0.00 175.55 176.82 1sfq s THR 229 N -0.59 3.33 -0.87 -0.71 2.01 0.35 -1.29 115.64 117.87 1sfq s THR 229 Ca 0.03 1.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.82 1sfq s THR 229 Cb -0.06 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.83 1sfq s THR 229 CO 0.00 0.13 1.33 -2.28 -0.69 0.00 0.00 174.62 173.11 1sfq s HIS 230 N 0.48 2.46 0.13 4.92 2.46 -0.19 -2.01 115.29 123.54 1sfq s HIS 230 Ca 0.59 -0.51 -0.20 0.00 0.47 0.00 0.00 55.06 55.41 1sfq s HIS 230 Cb -0.36 -4.63 -0.03 0.00 -0.13 0.00 0.00 32.58 27.44 1sfq s HIS 230 CO 0.35 -1.96 1.70 0.28 -2.47 0.00 0.00 174.74 172.64 1sfq h VAL 231 N 6.37 0.78 -0.84 0.89 2.07 -1.70 -2.74 116.25 121.08 1sfq h VAL 231 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1sfq h VAL 231 Cb 1.03 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1sfq h VAL 231 CO 1.34 0.00 0.51 0.15 0.02 0.00 0.00 177.57 179.58 1sfq h PHE 232 N -0.02 0.93 -0.07 1.57 3.57 -1.86 -1.17 116.94 119.88 1sfq h PHE 232 Ca 0.09 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1sfq h PHE 232 Cb 0.16 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1sfq h PHE 232 CO -0.22 0.44 0.07 0.00 -2.23 0.00 0.00 178.31 176.37 1sfq h ARG 233 N 0.89 0.00 -0.37 1.11 3.08 -1.85 -1.51 114.38 115.75 1sfq h ARG 233 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1sfq h ARG 233 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1sfq h ARG 233 CO -0.20 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.98 1sfq n LEU 234 N -4.02 3.52 -0.06 3.04 4.77 -0.53 -4.64 117.00 119.08 1sfq n LEU 234 Ca -0.01 -2.40 0.02 0.00 -0.03 0.00 0.00 56.01 53.59 1sfq n LEU 234 Cb 0.17 -0.39 0.36 0.00 -2.33 0.00 0.00 43.42 41.23 1sfq n LEU 234 CO 0.29 0.73 1.16 0.50 -1.33 0.00 0.00 177.39 178.74 1sfq h LYS 235 N 2.27 0.67 -0.23 3.23 3.11 -0.38 -1.96 116.57 123.27 1sfq h LYS 235 Ca 0.00 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.73 1sfq h LYS 235 Cb 1.08 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 1sfq h LYS 235 CO 0.11 0.47 -0.11 0.87 -2.81 0.00 0.00 179.45 177.97 1sfq h LYS 236 N 0.68 0.37 -0.19 1.90 1.57 -1.82 -0.73 116.57 118.36 1sfq h LYS 236 Ca 0.18 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 1sfq h LYS 236 Cb -0.03 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.24 1sfq h LYS 236 CO -0.03 0.49 -0.63 2.35 -0.57 0.00 0.00 179.45 181.06 1sfq h TRP 237 N 0.35 1.00 -0.16 -1.35 7.01 -1.73 -1.30 115.95 119.78 1sfq h TRP 237 Ca 0.07 -0.41 0.02 0.00 2.11 0.00 0.00 58.89 60.68 1sfq h TRP 237 Cb 0.41 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 1sfq h TRP 237 CO 0.01 1.23 0.04 0.82 -2.79 0.00 0.00 178.44 177.75 1sfq h ILE 238 N 0.49 0.95 -0.84 2.65 2.04 -1.01 -0.46 117.51 121.34 1sfq h ILE 238 Ca -0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1sfq h ILE 238 Cb 1.25 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1sfq h ILE 238 CO 0.13 0.02 0.46 1.56 0.00 0.00 0.00 178.15 180.32 1sfq h GLN 239 N 0.11 1.17 -0.73 2.37 4.20 -1.14 -1.14 115.11 119.96 1sfq h GLN 239 Ca 0.07 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1sfq h GLN 239 Cb 0.05 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1sfq h GLN 239 CO -0.08 0.87 0.41 -0.22 -0.67 0.00 0.00 178.83 179.14 1sfq h LYS 240 N 1.17 1.01 -0.16 1.46 3.64 -0.70 0.12 116.57 123.11 1sfq h LYS 240 Ca 0.30 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1sfq h LYS 240 Cb 0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1sfq h LYS 240 CO -0.05 0.74 -0.16 0.28 -2.27 0.00 0.00 179.45 177.99 1sfq h VAL 241 N 1.00 1.34 -0.08 2.00 2.07 -0.75 -3.27 116.25 118.57 1sfq h VAL 241 Ca 0.26 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1sfq h VAL 241 Cb 0.01 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1sfq h VAL 241 CO -0.04 0.39 0.04 0.40 0.02 0.00 0.00 177.57 178.38 1sfq h ILE 242 N 0.04 1.08 -0.68 4.57 1.08 -1.06 -2.03 117.51 120.50 1sfq h ILE 242 Ca 0.03 -0.22 -0.44 0.00 -0.39 0.00 0.00 64.86 63.84 1sfq h ILE 242 Cb 0.69 1.09 -0.13 0.00 -3.07 0.00 0.00 36.82 35.40 1sfq h ILE 242 CO 0.04 0.07 0.57 0.47 -0.69 0.00 0.00 178.15 178.61 1sfq n ASP 243 N -4.99 6.39 0.00 1.72 8.00 0.39 -3.36 116.55 124.71 1sfq n ASP 243 Ca -0.06 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.51 1sfq n ASP 243 Cb 0.07 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 1sfq n ASP 243 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1sfq n GLN 244 N 1.63 0.00 0.00 -1.24 7.27 -1.16 -4.89 117.38 118.99 1sfq n GLN 244 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.57 1sfq n GLN 244 Cb 0.61 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.26 1sfq n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32