#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4j s MET 3 N 0.00 2.83 -0.14 0.54 -1.94 -0.63 -4.84 119.30 115.12 2c4j s MET 3 Ca 0.00 1.08 0.02 0.00 -1.71 0.00 0.00 55.69 55.08 2c4j s MET 3 Cb 0.00 -1.97 0.01 0.00 2.01 0.00 0.00 34.83 34.87 2c4j s MET 3 CO 0.00 -1.19 -0.20 0.99 -0.01 0.00 0.00 175.02 174.61 2c4j s THR 4 N -2.86 2.25 -0.29 2.05 2.01 -0.21 -0.28 115.64 118.30 2c4j s THR 4 Ca 0.60 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 2c4j s THR 4 Cb -0.16 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2c4j s THR 4 CO 0.51 0.54 0.14 -0.22 -0.69 0.00 0.00 174.62 174.90 2c4j s LEU 5 N 0.81 3.92 -0.18 4.42 2.96 0.04 -0.82 118.68 129.83 2c4j s LEU 5 Ca -0.07 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2c4j s LEU 5 Cb -0.15 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2c4j s LEU 5 CO -0.01 -0.13 0.07 -0.83 -1.32 0.00 0.00 176.35 174.13 2c4j s GLY 6 N 1.64 1.92 0.26 7.98 0.00 0.01 -0.76 107.32 118.37 2c4j s GLY 6 Ca 0.05 -0.74 -0.20 0.00 0.00 0.00 0.00 44.72 43.84 2c4j s GLY 6 CO 0.06 0.05 0.91 -0.47 0.00 0.00 0.00 173.10 173.65 2c4j s TYR 7 N 0.33 0.03 0.89 1.90 5.04 -0.69 -1.48 117.35 123.37 2c4j s TYR 7 Ca 0.04 -0.52 -0.11 0.00 -2.44 0.00 0.00 57.07 54.03 2c4j s TYR 7 Cb -0.12 0.74 0.12 0.00 0.35 0.00 0.00 41.96 43.05 2c4j s TYR 7 CO -0.00 -1.17 1.09 -1.58 -1.34 0.00 0.00 175.55 172.55 2c4j s TRP 8 N -2.55 2.30 -0.59 4.97 0.52 -1.26 -0.82 118.94 121.51 2c4j s TRP 8 Ca 0.17 1.31 -0.07 0.00 0.02 0.00 0.00 56.10 57.54 2c4j s TRP 8 Cb -0.04 -3.15 -0.13 0.00 -1.15 0.00 0.00 33.47 29.00 2c4j s TRP 8 CO 0.07 -2.37 3.21 -1.71 0.02 0.00 0.00 176.95 176.18 2c4j n ASN 9 N -3.87 6.57 -3.96 2.95 5.15 -0.58 -4.65 115.26 116.87 2c4j n ASN 9 Ca 0.07 -2.69 -0.13 0.00 -0.60 0.00 0.00 54.58 51.24 2c4j n ASN 9 Cb 0.55 -1.42 -0.08 0.00 -0.53 0.00 0.00 39.78 38.30 2c4j n ASN 9 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2c4j s ILE 10 N 0.53 0.00 -0.00 -1.44 -4.36 -1.26 -4.55 121.20 110.12 2c4j s ILE 10 Ca 0.65 -1.85 -0.00 0.00 -0.26 0.00 0.00 60.65 59.19 2c4j s ILE 10 Cb 0.29 -2.46 -0.00 0.00 1.25 0.00 0.00 42.46 41.54 2c4j s ILE 10 CO -0.06 0.00 0.58 -0.09 0.24 0.00 0.00 174.94 175.61 2c4j h ARG 11 N 2.44 -0.00 0.00 0.37 2.43 -1.09 -3.45 114.38 115.07 2c4j h ARG 11 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2c4j h ARG 11 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2c4j h ARG 11 CO 0.46 -0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.33 2c4j n GLY 12 N 0.25 1.81 0.00 2.80 0.00 -0.10 -2.25 105.19 107.70 2c4j n GLY 12 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2c4j n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c4j n LEU 13 N 0.00 0.00 -0.18 0.99 4.77 -1.26 -3.47 117.00 117.85 2c4j n LEU 13 Ca 0.00 0.27 0.11 0.00 -0.03 0.00 0.00 56.01 56.36 2c4j n LEU 13 Cb 0.00 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 40.89 2c4j n LEU 13 CO 0.00 -0.02 0.26 0.00 -1.33 0.00 0.00 177.39 176.31 2c4j n ALA 14 N -1.27 3.92 0.04 -1.18 0.00 -0.96 -4.53 120.51 116.53 2c4j n ALA 14 Ca 0.14 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 2c4j n ALA 14 Cb 0.22 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 2c4j n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2c4j h HIS 15 N 0.89 0.01 -0.69 0.00 6.17 -1.55 0.70 115.15 120.67 2c4j h HIS 15 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 2c4j h HIS 15 Cb 0.57 -0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.47 2c4j h HIS 15 CO 0.00 0.02 0.32 0.77 0.71 0.00 0.00 177.93 179.76 2c4j h SER 16 N -0.01 0.89 -0.03 3.26 0.02 -1.82 -1.25 113.55 114.60 2c4j h SER 16 Ca 0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2c4j h SER 16 Cb 0.02 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2c4j h SER 16 CO -0.00 0.76 0.01 0.40 -1.14 0.00 0.00 176.83 176.85 2c4j h ILE 17 N 0.98 1.18 -0.53 3.27 2.04 -1.68 -0.66 117.51 122.10 2c4j h ILE 17 Ca 0.24 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2c4j h ILE 17 Cb 0.11 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2c4j h ILE 17 CO -0.03 0.15 0.31 0.03 0.00 0.00 0.00 178.15 178.61 2c4j h ARG 18 N -0.17 0.59 -0.84 2.37 3.08 -0.59 0.00 114.38 118.82 2c4j h ARG 18 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2c4j h ARG 18 Cb 0.23 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2c4j h ARG 18 CO 0.00 0.39 0.45 -0.07 -1.07 0.00 0.00 179.97 179.67 2c4j h LEU 19 N 0.61 1.05 -0.52 3.04 3.38 -1.13 -1.37 115.31 120.38 2c4j h LEU 19 Ca 0.22 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2c4j h LEU 19 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2c4j h LEU 19 CO -0.11 0.86 -0.25 0.25 0.09 0.00 0.00 178.44 179.28 2c4j h LEU 20 N 1.17 0.97 -0.91 1.67 5.85 -0.59 -0.39 115.31 123.08 2c4j h LEU 20 Ca 0.29 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2c4j h LEU 20 Cb 0.04 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2c4j h LEU 20 CO -0.05 1.16 0.57 -0.07 -0.34 0.00 0.00 178.44 179.72 2c4j h LEU 21 N 0.81 1.08 -0.23 2.25 3.38 -0.71 -1.40 115.31 120.48 2c4j h LEU 21 Ca 0.10 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2c4j h LEU 21 Cb 0.82 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2c4j h LEU 21 CO 0.07 0.81 -0.05 -0.33 0.09 0.00 0.00 178.44 179.03 2c4j h GLU 22 N 1.25 0.44 -0.62 1.13 4.39 -1.03 -1.35 114.58 118.79 2c4j h GLU 22 Ca 0.33 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2c4j h GLU 22 Cb -0.09 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2c4j h GLU 22 CO -0.07 0.67 0.36 -0.92 -1.16 0.00 0.00 179.01 177.90 2c4j h TYR 23 N 0.18 0.82 -0.09 4.33 3.20 -0.84 -2.46 116.97 122.10 2c4j h TYR 23 Ca 0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2c4j h TYR 23 Cb 0.51 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2c4j h TYR 23 CO 0.05 0.55 0.00 0.25 -1.64 0.00 0.00 178.16 177.37 2c4j n THR 24 N -4.40 0.11 -2.75 1.81 -2.24 -0.55 -4.92 114.28 101.34 2c4j n THR 24 Ca 0.06 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 2c4j n THR 24 Cb 0.08 0.27 0.01 0.00 -2.10 0.00 0.00 70.33 68.59 2c4j n THR 24 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c4j n ASP 25 N 0.06 -5.81 -4.77 3.42 9.92 -0.93 -4.94 116.55 113.51 2c4j n ASP 25 Ca 0.17 -0.15 -0.40 0.00 -0.53 0.00 0.00 54.79 53.88 2c4j n ASP 25 Cb 0.29 -4.76 -0.02 0.00 -0.64 0.00 0.00 41.12 35.99 2c4j n ASP 25 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2c4j s SER 26 N -2.40 6.58 -0.36 -2.24 0.01 -0.53 -4.99 113.70 109.77 2c4j s SER 26 Ca 0.17 2.61 -0.23 0.00 1.31 0.00 0.00 55.95 59.81 2c4j s SER 26 Cb -0.08 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.52 2c4j s SER 26 CO 0.21 -0.66 0.78 -0.55 0.41 0.00 0.00 173.24 173.42 2c4j s SER 27 N -0.69 6.55 0.03 2.44 0.15 -1.26 -4.85 113.70 116.07 2c4j s SER 27 Ca 0.53 0.35 -0.11 0.00 0.70 0.00 0.00 55.95 57.42 2c4j s SER 27 Cb -0.38 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 61.55 2c4j s SER 27 CO 0.49 -0.73 0.22 -0.72 1.20 0.00 0.00 173.24 173.70 2c4j s TYR 28 N 3.08 -0.00 0.21 3.44 1.13 -1.26 -1.60 117.35 122.35 2c4j s TYR 28 Ca 0.31 -0.14 0.10 0.00 -1.41 0.00 0.00 57.07 55.92 2c4j s TYR 28 Cb -0.13 0.00 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 2c4j s TYR 28 CO 0.17 -0.41 -0.12 -1.83 -2.51 0.00 0.00 175.55 170.84 2c4j s GLU 29 N -2.22 1.95 -0.05 -3.49 -1.05 0.61 -4.91 118.70 109.54 2c4j s GLU 29 Ca -0.08 -1.40 0.02 0.00 -0.15 0.00 0.00 54.97 53.37 2c4j s GLU 29 Cb -0.03 -2.06 -0.03 0.00 -0.44 0.00 0.00 34.13 31.58 2c4j s GLU 29 CO -0.02 0.40 -0.09 -1.21 0.95 0.00 0.00 175.26 175.30 2c4j s GLU 30 N -3.01 2.63 -0.35 -4.83 2.02 -1.26 -0.78 118.70 113.12 2c4j s GLU 30 Ca 0.26 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.56 2c4j s GLU 30 Cb -0.08 -2.51 0.05 0.00 0.10 0.00 0.00 34.13 31.70 2c4j s GLU 30 CO 0.15 0.64 0.12 0.21 0.02 0.00 0.00 175.26 176.40 2c4j s LYS 31 N -0.92 2.56 -0.49 1.61 2.20 0.06 -4.93 119.74 119.83 2c4j s LYS 31 Ca 0.13 -1.27 -0.11 0.00 -0.36 0.00 0.00 55.97 54.37 2c4j s LYS 31 Cb -0.11 -3.48 0.12 0.00 -1.51 0.00 0.00 37.83 32.85 2c4j s LYS 31 CO 0.02 -0.73 0.38 0.15 -0.36 0.00 0.00 175.35 174.82 2c4j s LYS 32 N 1.37 2.60 0.34 4.03 1.02 -1.26 -1.71 119.74 126.14 2c4j s LYS 32 Ca -0.01 -1.77 -0.27 0.00 0.02 0.00 0.00 55.97 53.95 2c4j s LYS 32 Cb -0.20 -4.01 -0.09 0.00 -0.52 0.00 0.00 37.83 33.01 2c4j s LYS 32 CO 0.02 -1.23 1.12 0.71 -0.92 0.00 0.00 175.35 175.05 2c4j s TYR 33 N 1.39 3.33 0.12 3.18 2.02 -0.00 -4.66 117.35 122.73 2c4j s TYR 33 Ca 0.05 1.63 0.05 0.00 -0.37 0.00 0.00 57.07 58.43 2c4j s TYR 33 Cb -0.27 -3.30 -0.04 0.00 -0.40 0.00 0.00 41.96 37.95 2c4j s TYR 33 CO -0.00 -0.86 0.08 0.95 -1.57 0.00 0.00 175.55 174.15 2c4j s THR 34 N -1.35 4.33 -0.05 -0.71 -4.23 -1.26 -1.52 115.64 110.85 2c4j s THR 34 Ca 0.51 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 2c4j s THR 34 Cb -0.30 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 2c4j s THR 34 CO 0.38 0.01 -0.23 -0.32 -0.54 0.00 0.00 174.62 173.92 2c4j s MET 35 N -2.69 2.35 1.00 3.99 1.75 -1.26 -4.65 119.30 119.79 2c4j s MET 35 Ca 0.29 -0.84 -0.13 0.00 -1.25 0.00 0.00 55.69 53.76 2c4j s MET 35 Cb -0.11 -2.01 0.19 0.00 2.84 0.00 0.00 34.83 35.74 2c4j s MET 35 CO 0.21 0.36 1.12 0.20 -0.65 0.00 0.00 175.02 176.26 2c4j s GLY 36 N -0.14 1.57 0.89 2.11 0.00 0.81 -4.86 107.32 107.71 2c4j s GLY 36 Ca -0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 44.72 44.05 2c4j s GLY 36 CO 0.03 0.12 1.14 0.99 0.00 0.00 0.00 173.10 175.38 2c4j s ASP 37 N -3.73 3.69 0.71 1.64 1.01 -1.26 -4.09 116.67 114.64 2c4j s ASP 37 Ca 0.66 0.95 -0.16 0.00 0.71 0.00 0.00 52.55 54.71 2c4j s ASP 37 Cb -0.16 -1.52 0.03 0.00 1.01 0.00 0.00 42.92 42.28 2c4j s ASP 37 CO 0.56 -2.44 1.23 0.00 0.21 0.00 0.00 175.17 174.73 2c4j s ALA 38 N -3.32 2.17 -0.89 5.23 0.00 -1.26 -0.85 121.76 122.85 2c4j s ALA 38 Ca 0.63 0.99 0.25 0.00 0.00 0.00 0.00 51.96 53.84 2c4j s ALA 38 Cb -0.14 -3.50 0.58 0.00 0.00 0.00 0.00 23.12 20.06 2c4j s ALA 38 CO 0.53 -1.82 1.48 -0.35 0.00 0.00 0.00 175.76 175.59 2c4j n PRO 39 N -2.50 0.09 0.07 0.00 -0.04 -1.26 -4.79 135.00 126.57 2c4j n PRO 39 Ca 0.14 0.03 -0.06 0.00 -0.04 0.00 0.00 63.50 63.57 2c4j n PRO 39 Cb 0.50 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 2c4j n PRO 39 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2c4j h ASP 40 N 0.00 0.00 -6.58 3.54 3.32 -1.92 -3.48 116.42 111.30 2c4j h ASP 40 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2c4j h ASP 40 Cb 0.58 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2c4j h ASP 40 CO 0.00 0.95 -0.93 -1.22 -1.72 0.00 0.00 179.24 176.32 2c4j n TYR 41 N -3.35 -1.61 -1.66 4.55 4.01 -0.03 -4.78 117.16 114.29 2c4j n TYR 41 Ca 0.00 0.55 -0.54 0.00 -0.16 0.00 0.00 57.90 57.75 2c4j n TYR 41 Cb 0.92 -3.38 -0.06 0.00 -0.31 0.00 0.00 39.34 36.50 2c4j n TYR 41 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2c4j n ASP 42 N -2.77 2.20 -1.97 7.72 9.92 -1.26 -4.38 116.55 126.01 2c4j n ASP 42 Ca -0.23 1.09 -0.10 0.00 -0.53 0.00 0.00 54.79 55.01 2c4j n ASP 42 Cb 0.65 -1.19 0.06 0.00 -0.64 0.00 0.00 41.12 39.99 2c4j n ASP 42 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2c4j n ARG 43 N 4.18 2.46 -0.07 -1.24 1.74 -1.26 -0.13 116.66 122.33 2c4j n ARG 43 Ca 0.22 -3.66 -0.10 0.00 -0.77 0.00 0.00 57.85 53.55 2c4j n ARG 43 Cb 0.18 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 2c4j n ARG 43 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2c4j h SER 44 N 2.00 0.30 -0.70 0.55 0.87 -1.90 -0.57 113.55 114.12 2c4j h SER 44 Ca 0.12 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2c4j h SER 44 Cb 1.41 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.26 2c4j h SER 44 CO 0.42 0.24 0.46 -0.61 -0.53 0.00 0.00 176.83 176.82 2c4j h GLN 45 N 0.34 0.89 -0.01 2.24 4.15 -1.91 -1.13 115.11 119.67 2c4j h GLN 45 Ca 0.09 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2c4j h GLN 45 Cb -0.01 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.48 2c4j h GLN 45 CO -0.02 0.59 -0.14 2.35 -1.93 0.00 0.00 178.83 179.68 2c4j h TRP 46 N 0.92 0.16 0.00 3.99 -0.00 -1.77 -3.30 115.95 115.95 2c4j h TRP 46 Ca 0.26 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.89 59.04 2c4j h TRP 46 Cb -0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 2c4j h TRP 46 CO -0.00 0.82 -0.17 -0.07 -0.00 0.00 0.00 178.44 179.02 2c4j h LEU 47 N -0.54 0.00 -2.18 0.65 3.38 -1.01 0.99 115.31 116.60 2c4j h LEU 47 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2c4j h LEU 47 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2c4j h LEU 47 CO 0.03 0.17 -0.03 -1.13 0.09 0.00 0.00 178.44 177.57 2c4j h ASN 48 N 0.00 0.00 0.00 -0.43 -1.24 -1.28 -3.32 115.58 109.31 2c4j h ASN 48 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 2c4j h ASN 48 Cb 0.34 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 2c4j h ASN 48 CO 0.02 0.03 -1.15 1.21 -1.29 0.00 0.00 177.43 176.25 2c4j n GLU 49 N -4.08 1.78 -0.29 6.67 2.13 -0.66 -4.81 120.64 121.38 2c4j n GLU 49 Ca -0.03 -0.01 0.11 0.00 0.66 0.00 0.00 57.16 57.89 2c4j n GLU 49 Cb 0.12 -1.07 0.25 0.00 0.27 0.00 0.00 31.44 31.01 2c4j n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2c4j h LYS 50 N 0.00 0.17 -0.67 5.31 3.64 -0.94 0.09 116.57 124.17 2c4j h LYS 50 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2c4j h LYS 50 Cb 0.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2c4j h LYS 50 CO 0.00 0.11 0.00 1.19 -2.27 0.00 0.00 179.45 178.49 2c4j n PHE 51 N -5.26 1.23 -0.90 1.91 3.01 -1.26 -4.29 117.46 111.89 2c4j n PHE 51 Ca 0.19 -0.53 0.07 0.00 1.01 0.00 0.00 57.45 58.20 2c4j n PHE 51 Cb 0.63 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 40.05 2c4j n PHE 51 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2c4j n LYS 52 N 1.25 1.54 -0.07 -1.08 5.02 0.02 -4.67 118.16 120.16 2c4j n LYS 52 Ca 0.24 -2.24 0.06 0.00 -2.02 0.00 0.00 58.31 54.35 2c4j n LYS 52 Cb 0.75 -1.33 0.09 0.00 -0.02 0.00 0.00 35.03 34.52 2c4j n LYS 52 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2c4j n LEU 53 N -1.15 2.34 -0.00 -0.35 4.77 -1.24 -4.98 117.00 116.39 2c4j n LEU 53 Ca 0.12 -1.39 -0.00 0.00 -0.03 0.00 0.00 56.01 54.71 2c4j n LEU 53 Cb 0.56 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2c4j n LEU 53 CO 0.01 0.51 -0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2c4j n GLY 54 N 0.60 0.47 3.72 -0.72 0.00 -1.26 -5.00 105.19 102.99 2c4j n GLY 54 Ca 0.09 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2c4j n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c4j s LEU 55 N -0.01 4.41 0.19 0.99 1.43 -1.26 -4.86 118.68 119.58 2c4j s LEU 55 Ca 0.00 1.77 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 2c4j s LEU 55 Cb 0.00 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.75 2c4j s LEU 55 CO 0.00 -0.23 1.72 0.44 0.23 0.00 0.00 176.35 178.51 2c4j h ASP 56 N 6.34 1.05 -2.63 2.29 3.32 -1.95 -3.34 116.42 121.49 2c4j h ASP 56 Ca -0.42 -0.23 -0.60 0.00 0.02 0.00 0.00 57.03 55.80 2c4j h ASP 56 Cb 1.22 -0.28 -0.40 0.00 0.22 0.00 0.00 39.33 40.09 2c4j h ASP 56 CO 0.75 1.00 -0.81 0.49 -1.72 0.00 0.00 179.24 178.95 2c4j n PHE 57 N -4.27 0.91 -1.61 4.55 3.72 -1.26 -5.10 117.46 114.40 2c4j n PHE 57 Ca 0.05 -3.74 -0.47 0.00 -0.05 0.00 0.00 57.45 53.24 2c4j n PHE 57 Cb 0.25 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 2c4j n PHE 57 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2c4j n PRO 58 N 2.36 1.45 -3.70 -1.08 -0.02 -1.26 -4.87 135.00 127.89 2c4j n PRO 58 Ca 0.26 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 62.22 2c4j n PRO 58 Cb 0.43 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 2c4j n PRO 58 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2c4j s ASN 59 N -0.01 -0.17 -0.08 2.55 3.84 -1.26 -5.10 114.94 114.71 2c4j s ASN 59 Ca 0.69 -0.31 0.03 0.00 0.21 0.00 0.00 52.86 53.48 2c4j s ASN 59 Cb -0.77 0.41 0.01 0.00 -0.55 0.00 0.00 41.25 40.35 2c4j s ASN 59 CO 0.53 -0.75 -0.18 -0.76 -2.79 0.00 0.00 177.10 173.15 2c4j s LEU 60 N -2.90 1.87 0.64 3.21 1.43 -1.26 -3.99 118.68 117.69 2c4j s LEU 60 Ca 0.12 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 2c4j s LEU 60 Cb -0.00 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 2c4j s LEU 60 CO -0.00 0.10 1.05 -2.16 0.23 0.00 0.00 176.35 175.56 2c4j s PRO 61 N 0.48 3.26 0.11 1.29 0.04 -1.26 -4.97 135.00 133.95 2c4j s PRO 61 Ca -0.16 0.95 0.05 0.00 0.04 0.00 0.00 61.00 61.88 2c4j s PRO 61 Cb -0.17 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2c4j s PRO 61 CO 0.06 -0.85 -0.12 1.52 0.04 0.00 0.00 177.00 177.65 2c4j s TYR 62 N -2.93 1.25 -0.08 0.56 -0.85 -0.55 -3.92 117.35 110.83 2c4j s TYR 62 Ca 0.58 -0.59 0.01 0.00 -0.52 0.00 0.00 57.07 56.55 2c4j s TYR 62 Cb -0.13 -0.67 0.02 0.00 0.38 0.00 0.00 41.96 41.56 2c4j s TYR 62 CO 0.49 0.08 -0.08 -1.17 -1.52 0.00 0.00 175.55 173.36 2c4j s LEU 63 N -2.43 1.31 -0.24 -3.49 2.96 0.20 -0.81 118.68 116.17 2c4j s LEU 63 Ca 0.07 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 2c4j s LEU 63 Cb -0.04 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 2c4j s LEU 63 CO 0.02 -0.06 0.07 -0.63 -1.32 0.00 0.00 176.35 174.42 2c4j s ILE 64 N 1.25 4.40 -0.42 6.68 -1.09 0.00 -0.71 121.20 131.32 2c4j s ILE 64 Ca -0.04 -0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 2c4j s ILE 64 Cb -0.14 -3.05 0.13 0.00 -1.58 0.00 0.00 42.46 37.83 2c4j s ILE 64 CO -0.03 0.35 0.23 -0.62 -1.23 0.00 0.00 174.94 173.64 2c4j s ASP 65 N 1.44 3.56 1.99 3.58 2.15 0.31 -1.05 116.67 128.64 2c4j s ASP 65 Ca 0.06 -2.50 0.00 0.00 0.43 0.00 0.00 52.55 50.53 2c4j s ASP 65 Cb -0.15 -0.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.55 2c4j s ASP 65 CO 0.04 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 2c4j n GLY 66 N 3.69 3.87 0.00 2.66 0.00 -1.26 -1.75 105.19 112.40 2c4j n GLY 66 Ca 0.09 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.23 2c4j n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c4j n THR 67 N 0.00 0.06 -2.53 2.61 -2.24 -1.26 -4.65 114.28 106.27 2c4j n THR 67 Ca 0.00 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2c4j n THR 67 Cb 0.00 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 2c4j n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2c4j s HIS 68 N -3.00 2.86 -0.27 4.78 4.02 -0.72 -5.00 115.29 117.96 2c4j s HIS 68 Ca 0.14 0.94 0.00 0.00 1.02 0.00 0.00 55.06 57.16 2c4j s HIS 68 Cb 0.18 -3.96 0.05 0.00 -1.02 0.00 0.00 32.58 27.83 2c4j s HIS 68 CO 0.52 -1.29 -0.06 0.15 1.02 0.00 0.00 174.74 175.07 2c4j s LYS 69 N 4.09 2.46 -0.05 1.40 -0.14 -1.26 -0.53 119.74 125.70 2c4j s LYS 69 Ca 0.51 -1.22 0.06 0.00 -1.36 0.00 0.00 55.97 53.95 2c4j s LYS 69 Cb -0.13 -3.02 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2c4j s LYS 69 CO 0.23 -0.55 -0.23 0.42 -0.76 0.00 0.00 175.35 174.46 2c4j s ILE 70 N 1.22 1.90 0.48 2.17 1.01 0.11 -4.74 121.20 123.34 2c4j s ILE 70 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.64 2c4j s ILE 70 Cb -0.19 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 2c4j s ILE 70 CO -0.04 0.53 0.02 0.42 0.00 0.00 0.00 174.94 175.88 2c4j s THR 71 N -0.13 1.21 0.00 2.92 -4.23 -1.26 -0.63 115.64 113.52 2c4j s THR 71 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2c4j s THR 71 Cb -0.13 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2c4j s THR 71 CO 0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 2c4j n GLN 72 N -1.15 -0.58 -0.31 3.99 1.13 -1.25 -4.43 117.38 114.78 2c4j n GLN 72 Ca -0.15 0.86 0.11 0.00 -1.94 0.00 0.00 57.00 55.88 2c4j n GLN 72 Cb 0.67 -0.95 0.28 0.00 0.11 0.00 0.00 30.24 30.35 2c4j n GLN 72 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2c4j h SER 73 N 0.47 0.45 -0.31 1.08 4.64 -1.92 0.11 113.55 118.07 2c4j h SER 73 Ca 0.00 0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 2c4j h SER 73 Cb 0.00 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2c4j h SER 73 CO 0.00 0.11 -0.07 0.78 -0.87 0.00 0.00 176.83 176.78 2c4j h ASN 74 N 0.52 0.69 -0.36 4.97 2.35 -1.96 -0.78 115.58 121.00 2c4j h ASN 74 Ca 0.53 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.97 2c4j h ASN 74 Cb 0.90 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 2c4j h ASN 74 CO -0.45 0.80 -0.25 0.00 -1.65 0.00 0.00 177.43 175.88 2c4j h ALA 75 N 1.27 0.76 -0.15 -0.83 0.00 -1.28 -0.74 119.26 118.30 2c4j h ALA 75 Ca 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2c4j h ALA 75 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2c4j h ALA 75 CO 0.03 0.66 0.07 0.82 0.00 0.00 0.00 179.25 180.83 2c4j h ILE 76 N 0.75 1.13 -0.33 0.00 2.04 -0.90 -1.10 117.51 119.09 2c4j h ILE 76 Ca 0.09 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2c4j h ILE 76 Cb 0.80 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2c4j h ILE 76 CO 0.07 0.12 0.17 -0.07 0.00 0.00 0.00 178.15 178.44 2c4j h LEU 77 N 0.12 0.26 -0.96 1.44 3.38 -1.05 -2.08 115.31 116.41 2c4j h LEU 77 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2c4j h LEU 77 Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2c4j h LEU 77 CO -0.01 0.19 0.26 0.03 0.09 0.00 0.00 178.44 179.01 2c4j h ARG 78 N 0.35 1.02 0.10 1.13 3.08 -1.05 0.25 114.38 119.26 2c4j h ARG 78 Ca 0.14 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2c4j h ARG 78 Cb 0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2c4j h ARG 78 CO -0.09 0.84 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.68 2c4j h TYR 79 N 0.99 -0.13 -0.63 3.04 3.20 -0.85 0.31 116.97 122.91 2c4j h TYR 79 Ca 0.23 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2c4j h TYR 79 Cb 0.21 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2c4j h TYR 79 CO 0.02 -0.08 0.19 0.82 -1.64 0.00 0.00 178.16 177.47 2c4j h ILE 80 N -0.14 1.25 -0.61 1.81 2.04 -1.19 -2.86 117.51 117.81 2c4j h ILE 80 Ca -0.01 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2c4j h ILE 80 Cb 0.11 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2c4j h ILE 80 CO 0.02 0.32 0.32 0.00 0.00 0.00 0.00 178.15 178.81 2c4j h ALA 81 N 1.07 0.79 -0.81 1.87 0.00 -0.64 -2.64 119.26 118.90 2c4j h ALA 81 Ca 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2c4j h ALA 81 Cb 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2c4j h ALA 81 CO -0.01 0.33 0.37 0.00 0.00 0.00 0.00 179.25 179.94 2c4j h ARG 82 N 0.84 1.17 -0.18 0.00 3.08 -0.87 0.39 114.38 118.81 2c4j h ARG 82 Ca 0.21 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2c4j h ARG 82 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2c4j h ARG 82 CO -0.03 0.91 0.08 -0.22 -1.07 0.00 0.00 179.97 179.65 2c4j h LYS 83 N 1.16 0.24 -0.10 0.04 3.64 -1.25 -3.06 116.57 117.24 2c4j h LYS 83 Ca 0.28 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2c4j h LYS 83 Cb 0.14 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2c4j h LYS 83 CO -0.03 0.19 0.00 0.72 -2.27 0.00 0.00 179.45 178.06 2c4j n HIS 84 N -4.48 0.33 -3.83 1.91 8.25 -0.82 -4.99 115.22 111.59 2c4j n HIS 84 Ca -0.00 -0.89 -0.24 0.00 -0.26 0.00 0.00 57.72 56.32 2c4j n HIS 84 Cb 0.10 -0.19 0.01 0.00 1.12 0.00 0.00 29.99 31.04 2c4j n HIS 84 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2c4j n ASN 85 N -0.97 -1.56 -2.42 0.41 3.02 -0.37 -4.90 115.26 108.48 2c4j n ASN 85 Ca 0.16 -0.88 -0.30 0.00 -0.03 0.00 0.00 54.58 53.54 2c4j n ASN 85 Cb 0.68 -3.68 0.02 0.00 -0.61 0.00 0.00 39.78 36.19 2c4j n ASN 85 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2c4j n LEU 86 N -4.38 5.75 -4.41 3.41 4.77 -0.02 -5.00 117.00 117.12 2c4j n LEU 86 Ca -0.23 -4.88 -0.22 0.00 -0.03 0.00 0.00 56.01 50.64 2c4j n LEU 86 Cb 0.65 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2c4j n LEU 86 CO 0.72 2.00 -0.47 0.00 -1.33 0.00 0.00 177.39 178.31 2c4j n GLY 88 N -0.44 0.62 0.90 0.00 0.00 -1.26 -4.98 105.19 100.02 2c4j n GLY 88 Ca -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2c4j n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c4j n GLU 89 N -1.57 0.08 -0.87 1.61 1.02 -1.26 -4.66 120.64 114.99 2c4j n GLU 89 Ca 0.14 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 57.00 2c4j n GLU 89 Cb 0.47 -0.64 0.15 0.00 -0.02 0.00 0.00 31.44 31.39 2c4j n GLU 89 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2c4j s SER 90 N -5.81 3.35 0.22 1.62 1.04 -1.26 -4.75 113.70 108.11 2c4j s SER 90 Ca -0.05 2.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.42 2c4j s SER 90 Cb 0.01 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.87 2c4j s SER 90 CO 0.07 -2.82 1.79 -0.08 0.98 0.00 0.00 173.24 173.18 2c4j h GLU 91 N -1.61 0.62 -0.71 4.02 4.57 -1.99 -0.54 114.58 118.94 2c4j h GLU 91 Ca -0.43 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 57.73 2c4j h GLU 91 Cb 1.26 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 2c4j h GLU 91 CO 0.44 0.41 0.46 -0.22 -1.18 0.00 0.00 179.01 178.92 2c4j h LYS 92 N 0.64 0.89 -0.52 1.92 3.64 -2.00 -0.86 116.57 120.28 2c4j h LYS 92 Ca 0.33 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2c4j h LYS 92 Cb 0.29 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2c4j h LYS 92 CO -0.23 0.59 -0.10 0.93 -2.27 0.00 0.00 179.45 178.36 2c4j h GLU 93 N 0.92 0.98 -0.73 1.90 5.08 -1.71 -1.39 114.58 119.61 2c4j h GLU 93 Ca 0.27 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2c4j h GLU 93 Cb -0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2c4j h GLU 93 CO -0.08 1.02 0.24 1.96 -1.00 0.00 0.00 179.01 181.15 2c4j h GLN 94 N 0.87 1.13 -0.15 2.33 4.20 -0.59 0.11 115.11 123.01 2c4j h GLN 94 Ca 0.14 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2c4j h GLN 94 Cb 0.65 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2c4j h GLN 94 CO 0.05 0.95 0.05 0.82 -0.67 0.00 0.00 178.83 180.03 2c4j h ILE 95 N 1.09 1.17 -0.83 2.54 2.04 -0.96 -1.73 117.51 120.83 2c4j h ILE 95 Ca 0.24 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2c4j h ILE 95 Cb 0.29 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2c4j h ILE 95 CO -0.01 0.16 0.41 0.03 0.00 0.00 0.00 178.15 178.74 2c4j h ARG 96 N 0.07 1.19 -0.16 2.37 3.08 -1.01 -0.00 114.38 119.92 2c4j h ARG 96 Ca 0.05 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.96 2c4j h ARG 96 Cb 0.20 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2c4j h ARG 96 CO -0.00 0.91 -0.03 1.49 -1.07 0.00 0.00 179.97 181.26 2c4j h GLU 97 N 1.18 0.01 -0.42 0.04 4.81 -0.64 -0.08 114.58 119.49 2c4j h GLU 97 Ca 0.29 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2c4j h GLU 97 Cb 0.10 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2c4j h GLU 97 CO -0.04 0.01 0.04 -0.44 -0.73 0.00 0.00 179.01 177.85 2c4j h ASP 98 N 0.01 0.69 -0.04 1.04 3.32 -0.87 0.49 116.42 121.06 2c4j h ASP 98 Ca 0.08 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2c4j h ASP 98 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2c4j h ASP 98 CO -0.16 0.80 -0.01 0.40 -1.72 0.00 0.00 179.24 178.55 2c4j h ILE 99 N 0.56 0.95 -0.45 0.35 2.04 -0.79 -2.69 117.51 117.48 2c4j h ILE 99 Ca 0.12 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.89 2c4j h ILE 99 Cb 0.42 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2c4j h ILE 99 CO 0.01 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.00 2c4j h LEU 100 N -0.01 0.87 -0.47 1.44 3.38 -0.86 0.12 115.31 119.78 2c4j h LEU 100 Ca 0.02 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.72 2c4j h LEU 100 Cb 0.04 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 2c4j h LEU 100 CO -0.04 1.02 0.00 -0.08 0.09 0.00 0.00 178.44 179.43 2c4j h GLU 101 N 0.70 0.11 0.01 1.13 4.81 -0.83 0.10 114.58 120.61 2c4j h GLU 101 Ca 0.12 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.10 2c4j h GLU 101 Cb 0.63 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.00 2c4j h GLU 101 CO 0.04 0.08 -0.99 -0.91 -0.73 0.00 0.00 179.01 176.50 2c4j h ASN 102 N 0.12 0.67 -0.35 1.04 2.35 -1.22 -2.37 115.58 115.82 2c4j h ASN 102 Ca 0.24 -0.54 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2c4j h ASN 102 Cb 0.35 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2c4j h ASN 102 CO -0.39 1.34 0.15 -0.61 -1.65 0.00 0.00 177.43 176.28 2c4j h GLN 103 N 0.29 0.51 -0.26 0.81 5.75 -0.45 -1.20 115.11 120.55 2c4j h GLN 103 Ca -0.10 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.24 2c4j h GLN 103 Cb 1.64 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.08 2c4j h GLN 103 CO 0.18 0.48 -0.15 0.74 -2.65 0.00 0.00 178.83 177.44 2c4j h PHE 104 N 0.42 0.48 -0.54 3.99 0.04 -0.84 -1.19 116.94 119.29 2c4j h PHE 104 Ca 0.12 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 2c4j h PHE 104 Cb 0.15 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2c4j h PHE 104 CO -0.01 0.58 0.14 1.98 -0.60 0.00 0.00 178.31 180.40 2c4j h MET 105 N 0.41 0.87 -0.47 1.51 4.05 -1.11 0.11 114.93 120.29 2c4j h MET 105 Ca 0.08 -0.20 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2c4j h MET 105 Cb 0.50 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 2c4j h MET 105 CO 0.03 0.81 0.23 -0.44 0.23 0.00 0.00 176.91 177.77 2c4j h ASP 106 N 0.77 0.32 -0.53 1.39 3.32 -0.63 0.34 116.42 121.41 2c4j h ASP 106 Ca 0.17 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2c4j h ASP 106 Cb 0.33 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2c4j h ASP 106 CO 0.00 0.23 0.28 0.28 -1.72 0.00 0.00 179.24 178.30 2c4j h SER 107 N 0.45 0.67 -0.40 6.45 0.02 -0.90 -0.93 113.55 118.90 2c4j h SER 107 Ca 0.20 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2c4j h SER 107 Cb 0.12 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2c4j h SER 107 CO -0.15 0.59 0.23 -0.09 -1.14 0.00 0.00 176.83 176.27 2c4j h ARG 108 N 0.71 0.46 -0.06 3.45 2.43 -0.30 -2.45 114.38 118.61 2c4j h ARG 108 Ca 0.18 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2c4j h ARG 108 Cb 0.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2c4j h ARG 108 CO -0.03 0.30 -0.45 0.52 -1.51 0.00 0.00 179.97 178.81 2c4j h MET 109 N 0.47 0.13 -0.37 0.20 2.86 -0.63 -0.99 114.93 116.61 2c4j h MET 109 Ca 0.16 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2c4j h MET 109 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2c4j h MET 109 CO -0.08 0.56 0.23 1.96 1.06 0.00 0.00 176.91 180.64 2c4j h GLN 110 N 0.11 0.49 -0.20 1.72 4.20 -0.73 0.33 115.11 121.04 2c4j h GLN 110 Ca 0.01 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 2c4j h GLN 110 Cb 0.84 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2c4j h GLN 110 CO 0.06 0.36 -0.34 1.25 -0.67 0.00 0.00 178.83 179.49 2c4j h LEU 111 N 0.49 0.64 -0.41 1.46 5.85 -1.14 -2.72 115.31 119.49 2c4j h LEU 111 Ca 0.13 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2c4j h LEU 111 Cb -0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2c4j h LEU 111 CO -0.03 1.05 0.16 0.00 -0.34 0.00 0.00 178.44 179.29 2c4j h ALA 112 N 0.61 0.53 -0.51 1.25 0.00 -1.07 -0.74 119.26 119.32 2c4j h ALA 112 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2c4j h ALA 112 Cb 0.93 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2c4j h ALA 112 CO 0.08 0.13 0.18 -0.22 0.00 0.00 0.00 179.25 179.41 2c4j h LYS 113 N 0.51 0.34 0.01 0.00 3.64 -0.96 -1.52 116.57 118.59 2c4j h LYS 113 Ca 0.14 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2c4j h LYS 113 Cb 0.19 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2c4j h LYS 113 CO -0.01 0.23 -0.09 1.25 -2.27 0.00 0.00 179.45 178.56 2c4j h LEU 114 N 0.35 -0.24 -0.74 5.20 5.85 -1.14 -2.71 115.31 121.88 2c4j h LEU 114 Ca 0.25 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2c4j h LEU 114 Cb 0.27 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2c4j h LEU 114 CO -0.26 -0.13 0.00 0.00 -0.34 0.00 0.00 178.44 177.72 2c4j n TYR 116 N -2.52 0.00 -2.85 0.00 4.02 -0.63 -0.51 117.16 114.66 2c4j n TYR 116 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 2c4j n TYR 116 Cb 0.30 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.57 2c4j n TYR 116 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2c4j s ASP 117 N -2.18 7.21 0.65 7.72 -1.08 -0.61 -4.79 116.67 123.60 2c4j s ASP 117 Ca 0.27 1.47 0.42 0.00 -0.52 0.00 0.00 52.55 54.18 2c4j s ASP 117 Cb 0.20 -2.50 2.30 0.00 -1.46 0.00 0.00 42.92 41.45 2c4j s ASP 117 CO 0.40 -0.19 2.34 1.55 0.52 0.00 0.00 175.17 179.79 2c4j h PRO 118 N 6.73 0.00 -0.91 4.34 0.13 -1.92 -1.16 132.00 139.20 2c4j h PRO 118 Ca -0.41 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.35 2c4j h PRO 118 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2c4j h PRO 118 CO 0.75 0.00 0.46 -0.25 -0.23 0.00 0.00 178.00 178.73 2c4j n ASP 119 N -3.23 4.08 -0.39 1.44 8.00 -1.26 -4.77 116.55 120.42 2c4j n ASP 119 Ca -0.03 -3.33 -0.08 0.00 0.71 0.00 0.00 54.79 52.06 2c4j n ASP 119 Cb 0.08 -0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.34 2c4j n ASP 119 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2c4j n PHE 120 N -0.64 -0.30 0.22 1.24 7.35 -0.44 -1.05 117.46 123.84 2c4j n PHE 120 Ca 0.48 1.17 0.08 0.00 -0.76 0.00 0.00 57.45 58.42 2c4j n PHE 120 Cb 1.47 -0.65 0.51 0.00 0.35 0.00 0.00 39.48 41.17 2c4j n PHE 120 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2c4j h GLU 121 N 0.00 0.00 -0.01 -4.13 4.39 -1.87 0.12 114.58 113.07 2c4j h GLU 121 Ca 0.20 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 2c4j h GLU 121 Cb 0.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2c4j h GLU 121 CO -0.90 0.25 -0.68 0.87 -1.16 0.00 0.00 179.01 177.40 2c4j h LYS 122 N 0.00 0.04 0.00 2.33 1.57 -1.48 -3.30 116.57 115.73 2c4j h LYS 122 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2c4j h LYS 122 Cb 0.60 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2c4j h LYS 122 CO 0.03 0.70 -1.09 1.28 -0.57 0.00 0.00 179.45 179.80 2c4j n LEU 123 N -3.75 0.63 -0.26 2.94 4.77 -0.66 -4.43 117.00 116.25 2c4j n LEU 123 Ca -0.01 0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 2c4j n LEU 123 Cb 0.66 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.73 2c4j n LEU 123 CO 0.43 -0.06 1.16 0.50 -1.33 0.00 0.00 177.39 178.09 2c4j h LYS 124 N 0.00 0.96 -0.91 3.23 3.64 -0.89 -2.64 116.57 119.97 2c4j h LYS 124 Ca 0.00 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2c4j h LYS 124 Cb 0.87 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 2c4j h LYS 124 CO 0.00 0.66 0.55 -1.35 -2.27 0.00 0.00 179.45 177.03 2c4j h PRO 125 N 0.98 0.87 -0.78 1.90 0.11 -1.77 -0.46 132.00 132.85 2c4j h PRO 125 Ca 0.26 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.36 2c4j h PRO 125 Cb -0.08 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 30.78 2c4j h PRO 125 CO -0.05 0.58 0.49 1.49 -0.21 0.00 0.00 178.00 180.29 2c4j h GLU 126 N 0.90 0.90 -0.23 1.05 4.81 -1.76 0.10 114.58 120.35 2c4j h GLU 126 Ca 0.44 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2c4j h GLU 126 Cb 0.39 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2c4j h GLU 126 CO -0.25 0.60 0.06 -0.92 -0.73 0.00 0.00 179.01 177.77 2c4j h TYR 127 N 0.93 0.39 -0.11 0.92 3.20 -1.19 -2.53 116.97 118.59 2c4j h TYR 127 Ca 0.32 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2c4j h TYR 127 Cb 0.06 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2c4j h TYR 127 CO -0.04 0.47 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.82 2c4j h LEU 128 N 0.20 0.14 -1.02 2.82 3.38 -0.72 -0.70 115.31 119.41 2c4j h LEU 128 Ca 0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2c4j h LEU 128 Cb 0.28 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2c4j h LEU 128 CO 0.00 0.24 -0.48 1.56 0.09 0.00 0.00 178.44 179.84 2c4j h GLN 129 N 0.15 0.01 0.00 1.13 4.20 -0.73 -3.10 115.11 116.78 2c4j h GLN 129 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2c4j h GLN 129 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2c4j h GLN 129 CO 0.01 0.50 -0.94 0.00 -0.67 0.00 0.00 178.83 177.73 2c4j n ALA 130 N -2.45 2.79 -0.13 3.87 0.00 -0.80 -4.49 120.51 119.30 2c4j n ALA 130 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 2c4j n ALA 130 Cb 0.50 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 2c4j n ALA 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2c4j h LEU 131 N 0.00 0.52 -1.19 0.00 5.85 -1.07 -2.85 115.31 116.56 2c4j h LEU 131 Ca 0.00 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2c4j h LEU 131 Cb 0.88 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 2c4j h LEU 131 CO 0.00 0.53 0.56 -0.65 -0.34 0.00 0.00 178.44 178.53 2c4j h PRO 132 N 0.48 1.02 -0.45 5.25 0.11 -1.79 -1.03 132.00 135.59 2c4j h PRO 132 Ca 0.13 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 2c4j h PRO 132 Cb 0.16 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2c4j h PRO 132 CO -0.01 0.68 -0.07 1.49 -0.21 0.00 0.00 178.00 179.88 2c4j h GLU 133 N 1.05 0.85 -0.27 1.05 4.57 -1.82 0.15 114.58 120.17 2c4j h GLU 133 Ca 0.33 -0.31 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 2c4j h GLU 133 Cb 0.02 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.48 2c4j h GLU 133 CO -0.10 0.94 -0.17 1.98 -1.18 0.00 0.00 179.01 180.47 2c4j h MET 134 N 0.69 -0.15 -0.31 1.92 4.05 -1.20 -1.47 114.93 118.46 2c4j h MET 134 Ca 0.12 0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.41 2c4j h MET 134 Cb 0.60 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 2c4j h MET 134 CO 0.04 -0.10 -0.39 -0.07 0.23 0.00 0.00 176.91 176.62 2c4j h LEU 135 N -0.15 0.78 -0.77 3.39 3.38 -0.98 -2.57 115.31 118.39 2c4j h LEU 135 Ca 0.15 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2c4j h LEU 135 Cb 0.38 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2c4j h LEU 135 CO -0.36 1.08 0.51 0.50 0.09 0.00 0.00 178.44 180.25 2c4j h LYS 136 N 0.60 1.00 -0.51 1.13 3.64 -0.32 0.12 116.57 122.23 2c4j h LYS 136 Ca 0.05 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2c4j h LYS 136 Cb 0.93 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2c4j h LYS 136 CO 0.09 0.66 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.83 2c4j h LEU 137 N 1.03 0.86 -0.46 5.20 3.38 -1.03 0.16 115.31 124.44 2c4j h LEU 137 Ca 0.28 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2c4j h LEU 137 Cb -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2c4j h LEU 137 CO -0.07 0.94 0.03 1.88 0.09 0.00 0.00 178.44 181.31 2c4j h TYR 138 N 0.82 0.86 -0.45 1.13 0.05 -1.02 -1.80 116.97 116.55 2c4j h TYR 138 Ca 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2c4j h TYR 138 Cb 0.53 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2c4j h TYR 138 CO 0.03 0.82 0.25 1.03 -1.05 0.00 0.00 178.16 179.24 2c4j h SER 139 N 0.65 0.56 -0.53 3.88 0.87 -0.42 -0.89 113.55 117.67 2c4j h SER 139 Ca 0.13 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2c4j h SER 139 Cb 0.46 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2c4j h SER 139 CO 0.02 0.49 0.31 1.56 -0.53 0.00 0.00 176.83 178.67 2c4j h GLN 140 N 0.59 0.72 -0.37 2.24 4.20 -0.63 -1.28 115.11 120.57 2c4j h GLN 140 Ca 0.16 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2c4j h GLN 140 Cb 0.05 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2c4j h GLN 140 CO -0.03 0.54 0.14 0.35 -0.67 0.00 0.00 178.83 179.16 2c4j h PHE 141 N 0.70 0.58 -0.54 2.96 3.57 -1.08 -3.02 116.94 120.11 2c4j h PHE 141 Ca 0.19 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2c4j h PHE 141 Cb 0.01 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2c4j h PHE 141 CO -0.02 0.54 0.18 1.25 -2.23 0.00 0.00 178.31 178.03 2c4j h LEU 142 N 0.46 0.78 0.00 0.59 5.85 -0.95 -3.47 115.31 118.56 2c4j h LEU 142 Ca 0.12 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2c4j h LEU 142 Cb 0.22 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2c4j h LEU 142 CO -0.01 0.77 0.00 0.61 -0.34 0.00 0.00 178.44 179.47 2c4j n GLY 143 N -0.73 3.29 0.86 3.75 0.00 -0.50 -1.93 105.19 109.93 2c4j n GLY 143 Ca 0.02 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2c4j n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c4j n LYS 144 N 14.00 2.14 -2.14 1.61 5.02 -1.26 -4.92 118.16 132.61 2c4j n LYS 144 Ca 0.00 -1.71 -0.38 0.00 -2.02 0.00 0.00 58.31 54.20 2c4j n LYS 144 Cb 0.00 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2c4j n LYS 144 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2c4j s GLN 145 N -1.67 3.81 0.27 1.97 -0.21 -0.82 -4.95 119.66 118.07 2c4j s GLN 145 Ca 0.35 1.97 0.06 0.00 0.02 0.00 0.00 55.36 57.77 2c4j s GLN 145 Cb 0.20 -2.57 0.37 0.00 1.00 0.00 0.00 33.01 32.02 2c4j s GLN 145 CO 0.29 -0.56 1.64 -1.00 -2.12 0.00 0.00 175.29 173.54 2c4j h PRO 146 N 2.32 0.21 -5.04 2.91 0.13 -1.88 -3.46 132.00 127.18 2c4j h PRO 146 Ca -0.49 -0.12 -0.35 0.00 -0.87 0.00 0.00 66.00 64.16 2c4j h PRO 146 Cb 1.25 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 2c4j h PRO 146 CO 0.61 0.67 -0.67 -1.58 -0.23 0.00 0.00 178.00 176.80 2c4j s TRP 147 N -3.94 1.44 0.40 1.56 0.52 -0.58 -4.92 118.94 113.42 2c4j s TRP 147 Ca -0.04 -0.90 0.26 0.00 0.02 0.00 0.00 56.10 55.44 2c4j s TRP 147 Cb 0.13 -0.81 1.37 0.00 -1.15 0.00 0.00 33.47 33.00 2c4j s TRP 147 CO 0.78 -0.04 2.05 0.74 0.02 0.00 0.00 176.95 180.50 2c4j h PHE 148 N 2.57 0.00 -0.49 -1.98 -1.00 -1.89 -1.36 116.94 112.79 2c4j h PHE 148 Ca -0.38 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.40 2c4j h PHE 148 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 2c4j h PHE 148 CO 0.59 0.14 0.00 1.28 -1.61 0.00 0.00 178.31 178.70 2c4j n LEU 149 N -3.69 3.52 0.00 1.54 4.77 -1.26 -4.89 117.00 116.99 2c4j n LEU 149 Ca -0.02 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 2c4j n LEU 149 Cb 0.25 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2c4j n LEU 149 CO 0.31 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2c4j n GLY 150 N 1.42 0.17 0.19 -0.72 0.00 -0.52 -4.75 105.19 100.98 2c4j n GLY 150 Ca 0.20 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.92 2c4j n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2c4j h ASP 151 N 0.00 0.00 -3.42 1.61 3.32 -1.98 -1.54 116.42 114.42 2c4j h ASP 151 Ca 0.00 -0.01 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 2c4j h ASP 151 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 2c4j h ASP 151 CO 0.00 0.00 -0.53 -0.75 -1.72 0.00 0.00 179.24 176.24 2c4j s LYS 152 N -3.22 4.03 0.28 3.56 2.20 -1.26 -4.84 119.74 120.49 2c4j s LYS 152 Ca 0.06 -0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 2c4j s LYS 152 Cb 0.07 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 2c4j s LYS 152 CO 0.68 0.16 1.24 -1.50 -0.36 0.00 0.00 175.35 175.58 2c4j s ILE 153 N 0.72 3.09 0.32 5.43 2.07 -1.26 -4.55 121.20 127.01 2c4j s ILE 153 Ca 0.06 1.03 0.06 0.00 -1.41 0.00 0.00 60.65 60.40 2c4j s ILE 153 Cb -0.13 -3.66 -0.03 0.00 0.13 0.00 0.00 42.46 38.77 2c4j s ILE 153 CO 0.02 0.22 0.26 0.42 -1.91 0.00 0.00 174.94 173.95 2c4j s THR 154 N -0.82 0.00 0.46 4.00 -4.23 -1.26 -4.78 115.64 109.01 2c4j s THR 154 Ca 0.50 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.15 2c4j s THR 154 Cb -0.36 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.18 2c4j s THR 154 CO 0.45 0.00 2.03 2.19 -0.54 0.00 0.00 174.62 178.76 2c4j h PHE 155 N 2.19 0.02 0.00 3.99 -0.00 -1.45 -1.43 116.94 120.25 2c4j h PHE 155 Ca -0.26 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.70 2c4j h PHE 155 Cb 1.23 -0.01 -0.00 0.00 -0.00 0.00 0.00 35.95 37.18 2c4j h PHE 155 CO 1.58 0.14 -0.05 -0.24 -0.00 0.00 0.00 178.31 179.73 2c4j h VAL 156 N 0.02 0.22 0.00 0.88 3.04 -1.95 -0.68 116.25 117.78 2c4j h VAL 156 Ca 0.00 -0.43 -0.05 0.00 -1.01 0.00 0.00 66.70 65.22 2c4j h VAL 156 Cb 0.23 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 2c4j h VAL 156 CO 0.02 0.05 -0.22 0.44 -1.01 0.00 0.00 177.57 176.84 2c4j h ASP 157 N 0.00 0.00 0.03 3.17 3.32 -1.67 0.14 116.42 121.41 2c4j h ASP 157 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2c4j h ASP 157 Cb 0.34 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2c4j h ASP 157 CO 0.01 0.22 -0.81 -0.26 -1.72 0.00 0.00 179.24 176.68 2c4j h PHE 158 N 0.00 0.88 -0.10 4.55 -1.00 -1.23 -0.31 116.94 119.74 2c4j h PHE 158 Ca -0.00 -0.41 -0.01 0.00 2.81 0.00 0.00 57.97 60.36 2c4j h PHE 158 Cb 0.40 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 2c4j h PHE 158 CO 0.00 1.22 0.03 0.82 -1.61 0.00 0.00 178.31 178.77 2c4j h ILE 159 N 0.42 1.19 -0.30 -0.55 2.04 -1.34 -2.78 117.51 116.19 2c4j h ILE 159 Ca -0.06 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.27 2c4j h ILE 159 Cb 1.43 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 2c4j h ILE 159 CO 0.16 0.16 0.09 0.00 0.00 0.00 0.00 178.15 178.56 2c4j h ALA 160 N 0.83 0.33 -0.24 1.87 0.00 -0.66 -0.95 119.26 120.44 2c4j h ALA 160 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2c4j h ALA 160 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2c4j h ALA 160 CO -0.00 -0.31 -0.02 -0.92 0.00 0.00 0.00 179.25 178.00 2c4j h TYR 161 N 0.22 -0.05 -0.08 0.00 3.20 -1.09 0.06 116.97 119.22 2c4j h TYR 161 Ca 0.13 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.04 2c4j h TYR 161 Cb 0.11 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2c4j h TYR 161 CO -0.14 -0.06 -0.00 0.22 -1.64 0.00 0.00 178.16 176.53 2c4j h ASP 162 N 0.05 -0.04 -0.39 -2.11 3.58 -1.11 0.58 116.42 116.97 2c4j h ASP 162 Ca 0.11 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 2c4j h ASP 162 Cb 0.16 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2c4j h ASP 162 CO -0.21 -0.01 -0.00 0.58 -2.88 0.00 0.00 179.24 176.72 2c4j h VAL 163 N 0.02 1.26 -0.15 2.25 2.07 -0.95 -0.24 116.25 120.51 2c4j h VAL 163 Ca 0.04 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2c4j h VAL 163 Cb 0.05 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2c4j h VAL 163 CO -0.07 0.34 -0.09 -0.07 0.02 0.00 0.00 177.57 177.70 2c4j h LEU 164 N 0.52 0.35 -0.72 2.57 3.38 -0.90 -1.93 115.31 118.58 2c4j h LEU 164 Ca 0.11 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2c4j h LEU 164 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2c4j h LEU 164 CO 0.02 0.71 0.03 -0.08 0.09 0.00 0.00 178.44 179.21 2c4j h GLU 165 N -0.00 1.02 -0.84 1.13 4.22 -0.86 -1.75 114.58 117.49 2c4j h GLU 165 Ca 0.03 -0.29 -0.02 0.00 0.08 0.00 0.00 59.36 59.16 2c4j h GLU 165 Cb 0.58 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2c4j h GLU 165 CO 0.03 0.98 0.43 -0.09 -2.18 0.00 0.00 179.01 178.18 2c4j h ARG 166 N 0.94 1.18 -0.34 1.92 2.43 -1.00 -0.54 114.38 118.96 2c4j h ARG 166 Ca 0.18 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2c4j h ARG 166 Cb 0.50 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2c4j h ARG 166 CO 0.02 0.89 0.05 -0.91 -1.51 0.00 0.00 179.97 178.51 2c4j h ASN 167 N 1.17 0.47 -0.10 -3.80 2.35 -0.92 -0.46 115.58 114.30 2c4j h ASN 167 Ca 0.29 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2c4j h ASN 167 Cb 0.07 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2c4j h ASN 167 CO -0.04 0.51 -0.26 -0.61 -1.65 0.00 0.00 177.43 175.37 2c4j h GLN 168 N 0.50 0.55 -0.58 0.81 4.15 -0.54 0.21 115.11 120.21 2c4j h GLN 168 Ca 0.11 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 2c4j h GLN 168 Cb 0.25 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 2c4j h GLN 168 CO 0.00 0.76 0.24 0.28 -1.93 0.00 0.00 178.83 178.19 2c4j h VAL 169 N 0.48 1.22 -0.19 2.39 2.07 -0.45 -2.78 116.25 118.99 2c4j h VAL 169 Ca 0.07 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 2c4j h VAL 169 Cb 0.71 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2c4j h VAL 169 CO 0.05 0.26 -0.23 0.15 0.02 0.00 0.00 177.57 177.83 2c4j h PHE 170 N 0.79 0.61 -2.91 1.57 3.57 -0.59 -3.39 116.94 116.59 2c4j h PHE 170 Ca 0.19 -0.19 -0.61 0.00 3.53 0.00 0.00 57.97 60.90 2c4j h PHE 170 Cb 0.18 -0.12 -0.40 0.00 2.79 0.00 0.00 35.95 38.40 2c4j h PHE 170 CO 0.01 0.88 -0.76 -2.00 -2.23 0.00 0.00 178.31 174.20 2c4j s GLU 171 N -4.25 1.16 0.46 1.11 2.56 0.68 -5.04 118.70 115.38 2c4j s GLU 171 Ca -0.13 -1.89 0.26 0.00 0.00 0.00 0.00 54.97 53.21 2c4j s GLU 171 Cb 0.06 -2.15 1.29 0.00 2.00 0.00 0.00 34.13 35.34 2c4j s GLU 171 CO 0.79 -1.17 1.79 -1.35 -0.56 0.00 0.00 175.26 174.76 2c4j h PRO 172 N 6.77 0.21 -0.18 4.30 0.11 -1.70 -0.92 132.00 140.59 2c4j h PRO 172 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2c4j h PRO 172 Cb 0.93 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2c4j h PRO 172 CO 0.44 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 2c4j n SER 173 N -4.45 2.07 0.26 -2.05 3.41 -1.26 -4.54 113.62 107.06 2c4j n SER 173 Ca 0.25 -1.76 0.13 0.00 -0.26 0.00 0.00 58.87 57.23 2c4j n SER 173 Cb 1.02 -0.12 0.70 0.00 -0.26 0.00 0.00 64.21 65.55 2c4j n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c4j n LEU 175 N -3.52 1.77 -0.35 0.00 4.77 -1.26 -4.45 117.00 113.95 2c4j n LEU 175 Ca -0.01 -0.60 0.08 0.00 -0.03 0.00 0.00 56.01 55.44 2c4j n LEU 175 Cb 0.27 -0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 2c4j n LEU 175 CO 0.30 0.30 1.23 0.44 -1.33 0.00 0.00 177.39 178.33 2c4j h ASP 176 N 2.74 0.91 0.66 -1.43 3.32 -1.65 -0.67 116.42 120.30 2c4j h ASP 176 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2c4j h ASP 176 Cb 0.58 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2c4j h ASP 176 CO 0.00 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 2c4j n ALA 177 N -2.36 2.11 -3.54 3.45 0.00 -1.26 -4.39 120.51 114.52 2c4j n ALA 177 Ca 0.19 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 2c4j n ALA 177 Cb 0.36 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 2c4j n ALA 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2c4j n PHE 178 N -1.42 1.94 -0.33 0.00 3.72 -0.26 -4.96 117.46 116.16 2c4j n PHE 178 Ca 0.08 -3.95 0.17 0.00 -0.05 0.00 0.00 57.45 53.71 2c4j n PHE 178 Cb 0.24 -0.38 0.41 0.00 -0.94 0.00 0.00 39.48 38.80 2c4j n PHE 178 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2c4j h PRO 179 N 4.86 0.56 0.00 -1.08 0.11 -1.77 -0.17 132.00 134.52 2c4j h PRO 179 Ca 0.18 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 2c4j h PRO 179 Cb 0.78 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2c4j h PRO 179 CO 0.64 0.37 -0.26 -2.95 -0.21 0.00 0.00 178.00 175.59 2c4j h ASN 180 N 0.58 0.00 0.11 -2.05 -1.07 -1.93 -0.19 115.58 111.03 2c4j h ASN 180 Ca 0.58 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.68 2c4j h ASN 180 Cb 1.17 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.44 2c4j h ASN 180 CO -0.35 0.26 -1.11 -0.07 0.07 0.00 0.00 177.43 176.23 2c4j h LEU 181 N 0.00 0.84 -0.63 6.14 3.38 -1.39 -0.82 115.31 122.84 2c4j h LEU 181 Ca -0.00 -0.72 0.04 0.00 0.09 0.00 0.00 57.88 57.30 2c4j h LEU 181 Cb 0.56 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2c4j h LEU 181 CO 0.03 1.52 0.36 0.11 0.09 0.00 0.00 178.44 180.55 2c4j h LYS 182 N 0.33 0.67 -0.33 1.13 1.57 -1.10 -1.56 116.57 117.27 2c4j h LYS 182 Ca -0.15 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2c4j h LYS 182 Cb 1.77 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 2c4j h LYS 182 CO 0.21 0.44 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.85 2c4j h ASP 183 N 0.69 0.65 -0.19 0.86 3.32 -0.99 -1.94 116.42 118.82 2c4j h ASP 183 Ca 0.27 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2c4j h ASP 183 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2c4j h ASP 183 CO -0.15 0.88 0.12 0.15 -1.72 0.00 0.00 179.24 178.52 2c4j h PHE 184 N 0.57 0.23 -0.58 4.55 3.57 -0.81 0.28 116.94 124.74 2c4j h PHE 184 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2c4j h PHE 184 Cb 0.71 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2c4j h PHE 184 CO 0.03 0.14 0.36 0.82 -2.23 0.00 0.00 178.31 177.43 2c4j h ILE 185 N 0.25 1.08 -0.51 1.41 2.04 -1.02 -0.39 117.51 120.37 2c4j h ILE 185 Ca 0.07 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2c4j h ILE 185 Cb -0.03 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 2c4j h ILE 185 CO -0.02 0.13 0.16 0.28 0.00 0.00 0.00 178.15 178.71 2c4j h SER 186 N 0.72 0.74 -0.50 1.72 0.02 -1.09 -0.84 113.55 114.31 2c4j h SER 186 Ca 0.23 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2c4j h SER 186 Cb 0.00 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2c4j h SER 186 CO -0.09 0.75 0.12 -0.09 -1.14 0.00 0.00 176.83 176.38 2c4j h ARG 187 N 0.70 0.81 -0.13 3.45 2.43 -0.67 -0.74 114.38 120.22 2c4j h ARG 187 Ca 0.17 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2c4j h ARG 187 Cb 0.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2c4j h ARG 187 CO -0.01 0.78 0.06 0.35 -1.51 0.00 0.00 179.97 179.65 2c4j h PHE 188 N 0.70 0.19 0.00 2.20 3.57 -0.87 -2.47 116.94 120.26 2c4j h PHE 188 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2c4j h PHE 188 Cb 0.34 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2c4j h PHE 188 CO 0.02 0.24 -0.07 0.93 -2.23 0.00 0.00 178.31 177.20 2c4j h GLU 189 N 0.09 0.00 0.00 1.11 5.08 -0.97 -2.35 114.58 117.54 2c4j h GLU 189 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2c4j h GLU 189 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2c4j h GLU 189 CO -0.01 0.07 -0.16 0.41 -1.00 0.00 0.00 179.01 178.33 2c4j n GLY 190 N -0.59 -1.48 3.73 -3.84 0.00 -0.30 -2.99 105.19 99.71 2c4j n GLY 190 Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2c4j n GLY 190 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c4j n LEU 191 N -1.71 4.04 -0.19 0.99 4.77 -0.89 -4.72 117.00 119.30 2c4j n LEU 191 Ca 0.06 1.16 -0.02 0.00 -0.03 0.00 0.00 56.01 57.18 2c4j n LEU 191 Cb 0.37 -1.55 0.04 0.00 -2.33 0.00 0.00 43.42 39.95 2c4j n LEU 191 CO 0.30 -0.06 0.72 -0.33 -1.33 0.00 0.00 177.39 176.70 2c4j h GLU 192 N 4.19 -0.04 0.00 3.23 5.08 -1.90 0.12 114.58 125.25 2c4j h GLU 192 Ca -0.47 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 2c4j h GLU 192 Cb 1.24 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2c4j h GLU 192 CO 0.75 -0.03 -0.57 0.87 -1.00 0.00 0.00 179.01 179.03 2c4j h LYS 193 N -0.05 0.00 -0.06 2.33 1.79 -1.91 -1.88 116.57 116.80 2c4j h LYS 193 Ca 0.27 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.64 2c4j h LYS 193 Cb 0.46 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2c4j h LYS 193 CO -0.60 0.57 -0.35 0.82 -1.08 0.00 0.00 179.45 178.81 2c4j h ILE 194 N 0.00 1.43 -0.48 1.86 1.08 -1.53 -1.50 117.51 118.38 2c4j h ILE 194 Ca -0.01 -1.78 0.04 0.00 -0.39 0.00 0.00 64.86 62.72 2c4j h ILE 194 Cb 1.04 2.39 -0.04 0.00 -3.07 0.00 0.00 36.82 37.14 2c4j h ILE 194 CO 0.07 0.51 0.24 -1.28 -0.69 0.00 0.00 178.15 177.00 2c4j h SER 195 N -0.17 0.34 -0.39 1.72 0.87 -0.71 -0.42 113.55 114.79 2c4j h SER 195 Ca -0.03 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2c4j h SER 195 Cb 1.01 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2c4j h SER 195 CO 0.07 0.24 0.18 0.00 -0.53 0.00 0.00 176.83 176.79 2c4j h ALA 196 N 1.26 0.50 -0.83 6.23 0.00 -1.38 -2.69 119.26 122.35 2c4j h ALA 196 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2c4j h ALA 196 Cb 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2c4j h ALA 196 CO -0.15 0.07 0.52 -0.92 0.00 0.00 0.00 179.25 178.77 2c4j h TYR 197 N 0.49 0.96 0.00 0.00 3.20 -0.93 -1.45 116.97 119.24 2c4j h TYR 197 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2c4j h TYR 197 Cb 0.13 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.09 2c4j h TYR 197 CO -0.01 0.50 0.00 -1.33 -1.64 0.00 0.00 178.16 175.68 2c4j n MET 198 N -4.62 0.19 0.00 1.82 2.81 -0.19 -1.27 117.12 115.85 2c4j n MET 198 Ca 0.11 0.45 0.12 0.00 -1.81 0.00 0.00 57.70 56.58 2c4j n MET 198 Cb 0.16 -1.88 0.21 0.00 -0.71 0.00 0.00 33.22 31.00 2c4j n MET 198 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2c4j n LYS 199 N -2.23 2.04 -2.67 0.03 5.02 -0.58 -4.90 118.16 114.87 2c4j n LYS 199 Ca 0.02 -1.58 -0.22 0.00 -2.02 0.00 0.00 58.31 54.51 2c4j n LYS 199 Cb 0.20 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2c4j n LYS 199 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2c4j s SER 200 N -2.05 5.38 0.16 4.39 1.04 -0.39 -4.98 113.70 117.25 2c4j s SER 200 Ca 0.30 0.13 0.18 0.00 0.48 0.00 0.00 55.95 57.04 2c4j s SER 200 Cb 0.20 -1.09 0.80 0.00 0.10 0.00 0.00 66.02 66.04 2c4j s SER 200 CO 0.33 -1.08 1.56 -1.54 0.98 0.00 0.00 173.24 173.50 2c4j n SER 201 N -2.34 0.38 0.05 7.02 3.41 -1.26 -3.28 113.62 117.60 2c4j n SER 201 Ca 0.06 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 2c4j n SER 201 Cb 0.59 -0.69 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2c4j n SER 201 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2c4j n ARG 202 N -1.94 0.39 -2.00 4.33 1.74 -1.26 -4.92 116.66 112.99 2c4j n ARG 202 Ca 0.02 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 2c4j n ARG 202 Cb 0.16 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 2c4j n ARG 202 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2c4j s PHE 203 N -3.25 3.07 -0.47 -1.55 5.36 -1.21 -4.97 117.98 114.97 2c4j s PHE 203 Ca 0.03 0.85 0.07 0.00 -0.96 0.00 0.00 56.93 56.92 2c4j s PHE 203 Cb 0.13 -3.85 0.24 0.00 -0.34 0.00 0.00 43.02 39.21 2c4j s PHE 203 CO 0.78 -2.93 0.58 -0.11 -1.46 0.00 0.00 175.22 172.08 2c4j n LEU 204 N 3.20 1.25 0.23 6.12 7.94 -1.26 -4.95 117.00 129.53 2c4j n LEU 204 Ca 0.10 -4.91 0.12 0.00 -1.11 0.00 0.00 56.01 50.22 2c4j n LEU 204 Cb 0.40 0.23 0.35 0.00 0.53 0.00 0.00 43.42 44.92 2c4j n LEU 204 CO 0.61 2.05 0.83 1.55 -1.11 0.00 0.00 177.39 181.32 2c4j h PRO 205 N 4.15 0.00 -3.94 1.96 0.13 -1.96 -3.35 132.00 128.98 2c4j h PRO 205 Ca 0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 2c4j h PRO 205 Cb 0.81 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.75 2c4j h PRO 205 CO 0.57 0.07 -0.65 1.03 -0.23 0.00 0.00 178.00 178.79 2c4j s ARG 206 N -3.37 0.41 0.70 0.86 0.52 -1.26 -4.23 118.95 112.57 2c4j s ARG 206 Ca 0.04 -0.69 -0.15 0.00 -0.52 0.00 0.00 55.73 54.41 2c4j s ARG 206 Cb 0.07 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.71 2c4j s ARG 206 CO 0.63 -0.08 1.16 -2.14 0.02 0.00 0.00 175.30 174.90 2c4j s PRO 207 N -1.95 2.44 0.08 3.54 0.02 -1.26 -4.69 135.00 133.18 2c4j s PRO 207 Ca -0.11 1.59 -0.17 0.00 0.02 0.00 0.00 61.00 62.33 2c4j s PRO 207 Cb -0.06 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 2c4j s PRO 207 CO -0.02 -1.57 1.43 0.28 -0.33 0.00 0.00 177.00 176.79 2c4j h VAL 208 N -0.14 1.31 -0.94 3.83 2.07 -1.61 0.14 116.25 120.92 2c4j h VAL 208 Ca -0.47 -1.25 -0.65 0.00 0.82 0.00 0.00 66.70 65.15 2c4j h VAL 208 Cb 1.27 1.59 -0.13 0.00 -1.52 0.00 0.00 31.29 32.50 2c4j h VAL 208 CO 0.52 0.39 -0.52 -0.36 0.02 0.00 0.00 177.57 177.62 2c4j s PHE 209 N -4.53 1.87 0.97 1.57 0.08 -0.26 -0.92 117.98 116.75 2c4j s PHE 209 Ca -0.13 -1.03 -0.16 0.00 0.12 0.00 0.00 56.93 55.73 2c4j s PHE 209 Cb 0.07 -1.51 0.20 0.00 -0.57 0.00 0.00 43.02 41.22 2c4j s PHE 209 CO 0.78 0.11 1.32 -1.54 -0.10 0.00 0.00 175.22 175.79 2c4j s SER 210 N -3.81 3.05 0.54 1.36 1.04 -1.26 -4.50 113.70 110.12 2c4j s SER 210 Ca 0.11 0.28 0.35 0.00 0.48 0.00 0.00 55.95 57.17 2c4j s SER 210 Cb 0.02 -0.33 1.63 0.00 0.10 0.00 0.00 66.02 67.45 2c4j s SER 210 CO 0.06 -2.77 2.05 0.11 0.98 0.00 0.00 173.24 173.67 2c4j h LYS 211 N -1.67 0.00 0.00 4.02 1.57 -1.91 -1.96 116.57 116.62 2c4j h LYS 211 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2c4j h LYS 211 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2c4j h LYS 211 CO 0.38 0.00 0.00 0.52 -0.57 0.00 0.00 179.45 179.78 2c4j h MET 212 N 0.00 0.00 -7.25 3.15 2.86 -1.93 -3.46 114.93 108.30 2c4j h MET 212 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 2c4j h MET 212 Cb 0.32 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.06 2c4j h MET 212 CO 0.00 0.00 0.37 0.00 1.06 0.00 0.00 176.91 178.34 2c4j s ALA 213 N -3.23 2.66 -1.87 6.32 0.00 -0.74 -4.87 121.76 120.03 2c4j s ALA 213 Ca 0.07 0.30 0.15 0.00 0.00 0.00 0.00 51.96 52.48 2c4j s ALA 213 Cb 0.10 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 20.13 2c4j s ALA 213 CO 0.54 -1.06 0.99 1.33 0.00 0.00 0.00 175.76 177.55 2c4j n VAL 214 N -2.54 0.04 -4.26 0.00 0.24 0.33 -4.63 118.33 107.51 2c4j n VAL 214 Ca 0.09 -0.52 -0.17 0.00 -2.04 0.00 0.00 64.34 61.69 2c4j n VAL 214 Cb 0.53 1.28 -0.14 0.00 -1.47 0.00 0.00 33.84 34.04 2c4j n VAL 214 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2c4j s TRP 215 N -1.25 0.66 -0.61 6.34 -0.00 -1.20 -4.88 118.94 118.01 2c4j s TRP 215 Ca 0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 56.10 56.14 2c4j s TRP 215 Cb 0.13 -0.42 0.00 0.00 -0.00 0.00 0.00 33.47 33.17 2c4j s TRP 215 CO 0.19 -0.01 0.00 0.41 -0.00 0.00 0.00 176.95 177.54 2c4j n GLY 216 N 2.81 0.70 0.18 5.86 0.00 -1.26 -4.69 105.19 108.79 2c4j n GLY 216 Ca -0.14 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.25 2c4j n GLY 216 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2c4j n ASN 217 N 1.01 0.85 0.00 1.61 6.94 -1.26 -1.11 115.26 123.30 2c4j n ASN 217 Ca -0.06 -0.71 0.00 0.00 -0.02 0.00 0.00 54.58 53.79 2c4j n ASN 217 Cb 0.26 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 2c4j n ASN 217 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52