#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg4 h LEU 1 N 0.00 0.51 -0.48 1.04 3.38 -2.04 -3.25 115.31 114.48 3kg4 h LEU 1 Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3kg4 h LEU 1 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kg4 h LEU 1 CO 0.00 0.68 0.19 0.00 0.09 0.00 0.00 178.44 179.40 3kg4 h ALA 2 N 1.37 0.62 -1.51 1.53 0.00 -2.05 -3.28 119.26 115.94 3kg4 h ALA 2 Ca 0.09 -0.15 -0.78 0.00 0.00 0.00 0.00 54.91 54.07 3kg4 h ALA 2 Cb 0.52 -0.19 -0.21 0.00 0.00 0.00 0.00 17.79 17.91 3kg4 h ALA 2 CO 0.03 0.23 1.36 -1.71 0.00 0.00 0.00 179.25 179.17 3kg4 n ASN 3 N -4.57 5.62 -3.64 0.00 5.15 -1.23 -4.92 115.26 111.67 3kg4 n ASN 3 Ca 0.01 -3.19 -0.08 0.00 -0.60 0.00 0.00 54.58 50.72 3kg4 n ASN 3 Cb 0.16 -1.41 -0.07 0.00 -0.53 0.00 0.00 39.78 37.93 3kg4 n ASN 3 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3kg4 s ARG 4 N -0.74 0.68 0.16 1.20 3.52 -1.24 -4.48 118.95 118.04 3kg4 s ARG 4 Ca 0.36 1.07 0.10 0.00 -0.13 0.00 0.00 55.73 57.13 3kg4 s ARG 4 Cb 0.05 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.58 3kg4 s ARG 4 CO 0.03 -0.13 -0.22 0.96 -0.81 0.00 0.00 175.30 175.14 3kg4 s ILE 5 N 1.27 2.06 -0.08 4.11 -5.25 0.69 -4.99 121.20 119.00 3kg4 s ILE 5 Ca -0.07 -1.88 0.02 0.00 -0.99 0.00 0.00 60.65 57.73 3kg4 s ILE 5 Cb -0.05 -1.92 0.02 0.00 2.95 0.00 0.00 42.46 43.46 3kg4 s ILE 5 CO -0.14 -0.14 -0.12 -0.13 -1.79 0.00 0.00 174.94 172.61 3kg4 s ARG 6 N -2.50 1.80 -0.13 0.37 0.52 -1.26 -1.55 118.95 116.20 3kg4 s ARG 6 Ca 0.16 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 3kg4 s ARG 6 Cb -0.08 -1.56 0.02 0.00 0.52 0.00 0.00 34.95 33.85 3kg4 s ARG 6 CO 0.07 -0.05 -0.15 -1.17 0.02 0.00 0.00 175.30 174.03 3kg4 s LEU 7 N 0.93 1.70 -0.13 2.53 2.96 -0.40 -0.42 118.68 125.85 3kg4 s LEU 7 Ca -0.09 -0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 53.09 3kg4 s LEU 7 Cb -0.15 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 3kg4 s LEU 7 CO 0.00 -0.03 0.88 -2.28 -1.32 0.00 0.00 176.35 173.61 3kg4 s HIS 8 N 1.28 3.47 0.05 5.38 5.65 0.34 -0.98 115.29 130.48 3kg4 s HIS 8 Ca 0.00 1.38 0.05 0.00 0.25 0.00 0.00 55.06 56.75 3kg4 s HIS 8 Cb -0.14 -3.05 -0.02 0.00 -1.18 0.00 0.00 32.58 28.19 3kg4 s HIS 8 CO -0.07 -0.19 -0.15 0.96 -0.65 0.00 0.00 174.74 174.63 3kg4 s ILE 9 N 1.93 1.21 0.23 0.89 -4.36 0.01 -0.75 121.20 120.36 3kg4 s ILE 9 Ca 0.42 -1.08 -0.14 0.00 -0.26 0.00 0.00 60.65 59.59 3kg4 s ILE 9 Cb -0.17 -1.10 0.01 0.00 1.25 0.00 0.00 42.46 42.44 3kg4 s ILE 9 CO 0.15 0.01 0.49 -1.66 0.24 0.00 0.00 174.94 174.18 3kg4 s TRP 10 N -0.89 0.20 -0.22 1.37 -2.14 -0.30 -0.47 118.94 116.48 3kg4 s TRP 10 Ca 0.02 -0.56 -0.31 0.00 2.66 0.00 0.00 56.10 57.90 3kg4 s TRP 10 Cb -0.08 0.27 0.16 0.00 -3.10 0.00 0.00 33.47 30.71 3kg4 s TRP 10 CO 0.02 -0.97 1.20 0.20 -2.66 0.00 0.00 176.95 174.74 3kg4 s GLY 11 N -2.97 -0.14 0.27 3.67 0.00 -0.69 -1.60 107.32 105.87 3kg4 s GLY 11 Ca 0.18 2.17 0.09 0.00 0.00 0.00 0.00 44.72 47.16 3kg4 s GLY 11 CO 0.05 0.88 1.61 -0.55 0.00 0.00 0.00 173.10 175.09 3kg4 h ASP 12 N 2.17 0.06 -4.79 1.64 3.32 -1.86 -1.11 116.42 115.85 3kg4 h ASP 12 Ca -0.11 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.66 3kg4 h ASP 12 Cb 1.17 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 40.51 3kg4 h ASP 12 CO 0.25 0.65 -0.72 -0.31 -1.72 0.00 0.00 179.24 177.39 3kg4 s TYR 13 N -3.67 0.65 -0.02 4.55 2.02 -1.26 0.63 117.35 120.25 3kg4 s TYR 13 Ca -0.02 -0.62 -0.15 0.00 -0.37 0.00 0.00 57.07 55.90 3kg4 s TYR 13 Cb 0.13 -0.40 0.03 0.00 -0.40 0.00 0.00 41.96 41.31 3kg4 s TYR 13 CO 0.77 -0.13 0.33 0.00 -1.57 0.00 0.00 175.55 174.95 3kg4 s ALA 14 N -2.01 -0.83 -0.29 3.71 0.00 -0.65 -4.79 121.76 116.89 3kg4 s ALA 14 Ca -0.05 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 3kg4 s ALA 14 Cb -0.06 0.07 0.13 0.00 0.00 0.00 0.00 23.12 23.25 3kg4 s ALA 14 CO -0.01 -0.26 0.25 0.00 0.00 0.00 0.00 175.76 175.73 3kg4 s PHE 16 N 2.23 3.63 0.12 0.00 0.08 -1.26 -3.49 117.98 119.30 3kg4 s PHE 16 Ca 0.10 -1.82 -0.31 0.00 0.12 0.00 0.00 56.93 55.02 3kg4 s PHE 16 Cb -0.15 -3.82 -0.09 0.00 -0.57 0.00 0.00 43.02 38.40 3kg4 s PHE 16 CO -0.33 -1.00 1.53 0.99 -0.10 0.00 0.00 175.22 176.31 3kg4 s THR 17 N 0.53 2.93 0.07 0.64 2.01 -1.26 -0.07 115.64 120.50 3kg4 s THR 17 Ca 0.14 0.61 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 3kg4 s THR 17 Cb -0.15 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 68.91 3kg4 s THR 17 CO -0.06 0.04 1.16 -0.13 -0.69 0.00 0.00 174.62 174.94 3kg4 s ARG 18 N 1.49 4.47 0.30 4.92 0.52 0.20 -4.80 118.95 126.04 3kg4 s ARG 18 Ca 0.69 1.73 0.16 0.00 -0.52 0.00 0.00 55.73 57.78 3kg4 s ARG 18 Cb -0.41 -3.35 0.23 0.00 0.52 0.00 0.00 34.95 31.94 3kg4 s ARG 18 CO 0.31 -0.18 1.52 -1.00 0.02 0.00 0.00 175.30 175.96 3kg4 h PRO 19 N 6.51 0.00 0.00 3.54 0.13 -1.92 -3.25 132.00 137.01 3kg4 h PRO 19 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3kg4 h PRO 19 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kg4 h PRO 19 CO 0.79 0.50 -0.04 -0.85 -0.23 0.00 0.00 178.00 178.17 3kg4 n GLU 20 N -3.32 0.26 -3.23 0.86 0.00 -1.26 -4.55 120.64 109.41 3kg4 n GLU 20 Ca 0.01 0.20 -0.45 0.00 0.00 0.00 0.00 57.16 56.93 3kg4 n GLU 20 Cb 0.69 -1.79 -0.05 0.00 0.00 0.00 0.00 31.44 30.28 3kg4 n GLU 20 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 3kg4 s MET 21 N -3.10 3.02 -0.03 3.44 -1.94 -1.23 -4.90 119.30 114.56 3kg4 s MET 21 Ca 0.10 -1.42 0.20 0.00 -1.71 0.00 0.00 55.69 52.87 3kg4 s MET 21 Cb 0.12 -4.24 -0.25 0.00 2.01 0.00 0.00 34.83 32.47 3kg4 s MET 21 CO 0.60 -1.36 0.50 1.63 -0.01 0.00 0.00 175.02 176.38 3kg4 n LYS 22 N 5.77 0.65 0.03 2.03 4.76 -1.26 -4.44 118.16 125.70 3kg4 n LYS 22 Ca -0.11 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.14 3kg4 n LYS 22 Cb 0.42 -1.60 -0.09 0.00 -1.84 0.00 0.00 35.03 31.92 3kg4 n LYS 22 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3kg4 h VAL 23 N 0.00 1.17 -3.80 -0.18 -1.51 -1.98 -3.45 116.25 106.50 3kg4 h VAL 23 Ca -0.15 -1.01 -0.26 0.00 -1.23 0.00 0.00 66.70 64.05 3kg4 h VAL 23 Cb 1.37 1.81 -0.17 0.00 -2.13 0.00 0.00 31.29 32.17 3kg4 h VAL 23 CO 0.01 0.24 -0.71 -1.83 -1.23 0.00 0.00 177.57 174.05 3kg4 s GLU 24 N -4.27 0.79 -0.07 5.19 -1.05 -1.26 -5.11 118.70 112.93 3kg4 s GLU 24 Ca -0.15 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.19 3kg4 s GLU 24 Cb 0.02 -0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.35 3kg4 s GLU 24 CO 0.62 0.03 1.15 0.50 0.95 0.00 0.00 175.26 178.51 3kg4 s ARG 25 N -3.12 4.36 -0.06 -4.83 3.52 -1.26 -4.84 118.95 112.72 3kg4 s ARG 25 Ca 0.06 1.60 0.01 0.00 -0.13 0.00 0.00 55.73 57.27 3kg4 s ARG 25 Cb 0.00 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3kg4 s ARG 25 CO -0.02 -0.43 -0.06 0.08 -0.81 0.00 0.00 175.30 174.06 3kg4 s VAL 26 N 2.21 0.70 0.42 7.11 1.01 -1.26 -0.92 120.40 129.68 3kg4 s VAL 26 Ca 0.54 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 3kg4 s VAL 26 Cb -0.23 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 3kg4 s VAL 26 CO 0.21 0.27 1.00 -0.55 0.00 0.00 0.00 175.10 176.02 3kg4 s SER 27 N 1.01 6.79 1.04 3.32 0.15 -0.53 -0.63 113.70 124.84 3kg4 s SER 27 Ca -0.09 1.87 -0.11 0.00 0.70 0.00 0.00 55.95 58.31 3kg4 s SER 27 Cb -0.14 -2.56 0.22 0.00 -1.71 0.00 0.00 66.02 61.82 3kg4 s SER 27 CO -0.00 -0.47 1.09 -0.31 1.20 0.00 0.00 173.24 174.75 3kg4 s TYR 28 N -1.91 1.46 0.18 3.44 2.02 0.91 -4.77 117.35 118.67 3kg4 s TYR 28 Ca 0.61 1.52 0.25 0.00 -0.37 0.00 0.00 57.07 59.07 3kg4 s TYR 28 Cb -0.16 -3.23 1.03 0.00 -0.40 0.00 0.00 41.96 39.21 3kg4 s TYR 28 CO 0.20 -3.36 1.87 -0.44 -1.57 0.00 0.00 175.55 172.26 3kg4 h ASP 29 N -2.26 0.00 -5.37 2.29 5.19 -1.95 -3.44 116.42 110.88 3kg4 h ASP 29 Ca -0.52 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.76 3kg4 h ASP 29 Cb 1.30 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.69 3kg4 h ASP 29 CO 0.45 0.20 -0.31 0.68 -3.12 0.00 0.00 179.24 177.14 3kg4 s VAL 30 N -3.73 0.00 0.35 -1.35 -7.23 -1.26 -4.89 120.40 102.29 3kg4 s VAL 30 Ca 0.00 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 3kg4 s VAL 30 Cb 0.11 -2.28 -0.11 0.00 0.56 0.00 0.00 36.38 34.65 3kg4 s VAL 30 CO 0.62 -0.02 1.49 -0.51 -0.31 0.00 0.00 175.10 176.37 3kg4 s ILE 31 N -4.07 2.16 0.51 -0.62 2.07 -1.26 -4.88 121.20 115.11 3kg4 s ILE 31 Ca 0.28 0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 59.56 3kg4 s ILE 31 Cb 0.02 -3.10 -0.05 0.00 0.13 0.00 0.00 42.46 39.46 3kg4 s ILE 31 CO 0.09 0.03 0.90 0.42 -1.91 0.00 0.00 174.94 174.47 3kg4 s THR 32 N -0.81 4.74 0.26 4.00 -4.23 -1.26 -4.96 115.64 113.37 3kg4 s THR 32 Ca 0.55 0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 61.77 3kg4 s THR 32 Cb -0.46 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 69.83 3kg4 s THR 32 CO 0.58 -0.81 1.82 -0.65 -0.54 0.00 0.00 174.62 175.02 3kg4 h PRO 33 N 0.49 0.87 -0.23 3.99 0.11 -1.76 -1.69 132.00 133.78 3kg4 h PRO 33 Ca -0.46 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.65 3kg4 h PRO 33 Cb 1.19 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 3kg4 h PRO 33 CO 0.62 0.57 -0.11 1.03 -0.21 0.00 0.00 178.00 179.91 3kg4 h SER 34 N 0.89 -0.37 -0.26 -2.05 0.87 -1.57 0.09 113.55 111.15 3kg4 h SER 34 Ca 0.44 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.99 3kg4 h SER 34 Cb 0.39 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3kg4 h SER 34 CO -0.25 -0.14 -0.17 0.00 -0.53 0.00 0.00 176.83 175.74 3kg4 h ALA 35 N 1.11 0.99 -0.45 6.23 0.00 -1.81 -1.98 119.26 123.35 3kg4 h ALA 35 Ca 0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3kg4 h ALA 35 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kg4 h ALA 35 CO -0.28 0.60 0.14 0.00 0.00 0.00 0.00 179.25 179.70 3kg4 h ALA 36 N 1.18 0.59 -0.47 0.00 0.00 -0.86 -1.53 119.26 118.16 3kg4 h ALA 36 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3kg4 h ALA 36 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kg4 h ALA 36 CO 0.05 0.24 0.02 -0.09 0.00 0.00 0.00 179.25 179.47 3kg4 h ARG 37 N 0.59 0.77 -0.82 0.00 2.43 -0.85 -0.99 114.38 115.50 3kg4 h ARG 37 Ca 0.14 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3kg4 h ARG 37 Cb 0.27 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3kg4 h ARG 37 CO -0.00 0.76 0.53 0.78 -1.51 0.00 0.00 179.97 180.53 3kg4 h GLY 38 N 0.96 1.18 0.89 2.80 0.00 -1.07 -1.07 103.07 106.76 3kg4 h GLY 38 Ca 0.15 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 3kg4 h GLY 38 CO 0.01 0.36 -0.10 -2.22 0.00 0.00 0.00 176.54 174.60 3kg4 h ILE 39 N 1.05 1.29 -0.44 2.60 2.04 -0.47 -1.69 117.51 121.89 3kg4 h ILE 39 Ca 0.32 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3kg4 h ILE 39 Cb -0.03 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3kg4 h ILE 39 CO -0.10 0.37 0.19 -0.07 0.00 0.00 0.00 178.15 178.54 3kg4 h LEU 40 N 0.34 0.59 -1.62 1.44 3.38 -1.04 -2.93 115.31 115.47 3kg4 h LEU 40 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3kg4 h LEU 40 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3kg4 h LEU 40 CO 0.03 0.57 -0.12 0.28 0.09 0.00 0.00 178.44 179.30 3kg4 h SER 41 N 0.57 0.09 -0.09 -0.43 0.02 -1.10 -1.47 113.55 111.14 3kg4 h SER 41 Ca 0.15 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3kg4 h SER 41 Cb 0.15 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kg4 h SER 41 CO -0.02 0.22 -0.14 0.00 -1.14 0.00 0.00 176.83 175.75 3kg4 h ALA 42 N 1.79 1.28 0.00 3.77 0.00 -1.12 -3.08 119.26 121.90 3kg4 h ALA 42 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kg4 h ALA 42 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kg4 h ALA 42 CO 0.02 0.48 -0.02 0.82 0.00 0.00 0.00 179.25 180.54 3kg4 h ILE 43 N 0.40 1.67 -2.40 0.00 2.04 -1.35 -0.06 117.51 117.81 3kg4 h ILE 43 Ca 0.07 -2.01 -0.06 0.00 1.00 0.00 0.00 64.86 63.86 3kg4 h ILE 43 Cb 0.49 3.03 -0.25 0.00 -0.74 0.00 0.00 36.82 39.36 3kg4 h ILE 43 CO 0.03 0.52 -0.19 -2.28 0.00 0.00 0.00 178.15 176.23 3kg4 s HIS 44 N -2.82 -0.79 -0.02 1.37 5.04 -0.60 -4.12 115.29 113.35 3kg4 s HIS 44 Ca -0.18 1.62 -0.20 0.00 -1.54 0.00 0.00 55.06 54.75 3kg4 s HIS 44 Cb -0.02 0.41 0.04 0.00 0.04 0.00 0.00 32.58 33.05 3kg4 s HIS 44 CO 0.69 -0.42 0.43 -0.46 -2.34 0.00 0.00 174.74 172.64 3kg4 s TRP 45 N 1.59 -0.34 0.03 3.88 -0.00 -1.20 -4.10 118.94 118.79 3kg4 s TRP 45 Ca -0.09 0.54 -0.14 0.00 -0.00 0.00 0.00 56.10 56.41 3kg4 s TRP 45 Cb -0.08 0.20 0.02 0.00 -0.00 0.00 0.00 33.47 33.62 3kg4 s TRP 45 CO -0.15 -0.47 0.31 -1.59 -0.00 0.00 0.00 176.95 175.05 3kg4 s LYS 46 N -1.33 0.77 0.64 5.86 0.00 -1.26 -5.05 119.74 119.37 3kg4 s LYS 46 Ca -0.12 -0.41 0.40 0.00 0.00 0.00 0.00 55.97 55.83 3kg4 s LYS 46 Cb -0.03 0.34 2.24 0.00 0.00 0.00 0.00 37.83 40.37 3kg4 s LYS 46 CO 0.06 -0.24 2.34 -1.35 0.00 0.00 0.00 175.35 176.16 3kg4 h PRO 47 N 3.39 0.00 0.00 1.78 0.10 -2.02 -0.76 132.00 134.49 3kg4 h PRO 47 Ca -0.31 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.77 3kg4 h PRO 47 Cb 1.19 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.29 3kg4 h PRO 47 CO 0.44 0.00 -0.10 0.00 0.10 0.00 0.00 178.00 178.44 3kg4 h ALA 48 N 2.00 1.65 -2.36 -0.75 0.00 -1.94 -3.42 119.26 114.44 3kg4 h ALA 48 Ca -0.00 -0.09 -0.50 0.00 0.00 0.00 0.00 54.91 54.31 3kg4 h ALA 48 Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.63 3kg4 h ALA 48 CO 0.00 0.13 -0.75 0.96 0.00 0.00 0.00 179.25 179.59 3kg4 s ILE 49 N -4.64 1.93 -0.03 0.00 -4.36 -0.29 0.67 121.20 114.48 3kg4 s ILE 49 Ca -0.04 -2.20 0.03 0.00 -0.26 0.00 0.00 60.65 58.18 3kg4 s ILE 49 Cb 0.15 -2.07 -0.00 0.00 1.25 0.00 0.00 42.46 41.80 3kg4 s ILE 49 CO 0.64 -0.49 -0.12 0.20 0.24 0.00 0.00 174.94 175.41 3kg4 s ASN 50 N -3.23 1.57 -0.03 4.36 0.02 -0.34 -4.64 114.94 112.64 3kg4 s ASN 50 Ca 0.23 -0.25 -0.29 0.00 -1.02 0.00 0.00 52.86 51.53 3kg4 s ASN 50 Cb -0.03 -0.38 -0.03 0.00 0.02 0.00 0.00 41.25 40.83 3kg4 s ASN 50 CO 0.09 0.11 0.93 0.26 0.02 0.00 0.00 177.10 178.50 3kg4 s TRP 51 N 0.05 3.62 -0.20 2.20 0.52 -1.26 -1.11 118.94 122.76 3kg4 s TRP 51 Ca -0.02 1.59 -0.03 0.00 0.02 0.00 0.00 56.10 57.66 3kg4 s TRP 51 Cb -0.09 -3.07 -0.01 0.00 -1.15 0.00 0.00 33.47 29.16 3kg4 s TRP 51 CO 0.01 -0.02 -0.06 0.08 0.02 0.00 0.00 176.95 176.97 3kg4 s VAL 52 N 1.12 3.33 -0.00 4.03 1.01 0.94 -4.96 120.40 125.87 3kg4 s VAL 52 Ca 0.48 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3kg4 s VAL 52 Cb -0.20 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3kg4 s VAL 52 CO 0.25 0.45 0.92 -0.63 0.00 0.00 0.00 175.10 176.09 3kg4 s ILE 53 N 1.17 4.87 -0.20 2.22 -1.09 -1.26 -1.71 121.20 125.21 3kg4 s ILE 53 Ca 0.02 1.94 -0.06 0.00 -2.23 0.00 0.00 60.65 60.32 3kg4 s ILE 53 Cb -0.14 -4.26 -0.10 0.00 -1.58 0.00 0.00 42.46 36.37 3kg4 s ILE 53 CO -0.01 0.19 -0.23 0.47 -1.23 0.00 0.00 174.94 174.13 3kg4 n ASP 54 N 3.77 1.83 -3.94 3.58 8.00 0.60 -4.66 116.55 125.73 3kg4 n ASP 54 Ca 0.04 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.56 3kg4 n ASP 54 Cb 0.51 -0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 3kg4 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kg4 s LYS 55 N -2.37 0.24 -0.19 -1.24 1.02 -0.77 -1.33 119.74 115.09 3kg4 s LYS 55 Ca -0.27 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.32 3kg4 s LYS 55 Cb 0.09 0.09 0.04 0.00 -0.52 0.00 0.00 37.83 37.53 3kg4 s LYS 55 CO 0.38 -0.04 -0.13 0.42 -0.92 0.00 0.00 175.35 175.06 3kg4 s ILE 56 N -1.03 1.76 -0.17 2.17 1.01 -0.05 -1.20 121.20 123.69 3kg4 s ILE 56 Ca -0.11 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.33 3kg4 s ILE 56 Cb -0.07 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3kg4 s ILE 56 CO -0.01 0.26 0.58 -0.31 0.00 0.00 0.00 174.94 175.46 3kg4 s TYR 57 N 1.36 3.42 -0.30 3.97 2.02 0.64 -0.85 117.35 127.61 3kg4 s TYR 57 Ca -0.00 0.91 -0.10 0.00 -0.37 0.00 0.00 57.07 57.51 3kg4 s TYR 57 Cb -0.16 -2.72 -0.01 0.00 -0.40 0.00 0.00 41.96 38.68 3kg4 s TYR 57 CO -0.09 -0.06 0.15 0.08 -1.57 0.00 0.00 175.55 174.06 3kg4 s VAL 58 N 1.47 4.65 -0.12 0.71 1.01 -0.40 -1.29 120.40 126.43 3kg4 s VAL 58 Ca 0.28 -0.35 0.20 0.00 0.00 0.00 0.00 61.98 62.11 3kg4 s VAL 58 Cb -0.16 -3.34 -0.28 0.00 0.00 0.00 0.00 36.38 32.60 3kg4 s VAL 58 CO 0.11 0.10 0.30 0.18 0.00 0.00 0.00 175.10 175.79 3kg4 n LEU 59 N 4.99 0.04 -4.27 3.92 4.77 -0.57 -4.82 117.00 121.07 3kg4 n LEU 59 Ca -0.14 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.62 3kg4 n LEU 59 Cb 0.50 0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.71 3kg4 n LEU 59 CO 0.34 0.25 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.60 3kg4 s LYS 60 N -2.98 1.11 0.32 3.23 1.02 -1.25 0.97 119.74 122.16 3kg4 s LYS 60 Ca -0.09 -1.11 -0.29 0.00 0.02 0.00 0.00 55.97 54.50 3kg4 s LYS 60 Cb 0.10 -1.34 -0.12 0.00 -0.52 0.00 0.00 37.83 35.95 3kg4 s LYS 60 CO 0.87 0.31 1.31 -2.30 -0.92 0.00 0.00 175.35 174.62 3kg4 n PRO 61 N 1.19 2.12 -2.19 -1.68 -0.02 -1.26 -4.89 135.00 128.28 3kg4 n PRO 61 Ca -0.19 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 3kg4 n PRO 61 Cb 0.54 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3kg4 n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kg4 s ILE 62 N -0.91 3.75 0.00 4.25 1.01 -1.26 -4.94 121.20 123.10 3kg4 s ILE 62 Ca 0.58 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 62.02 3kg4 s ILE 62 Cb -0.58 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 3kg4 s ILE 62 CO 0.60 -0.47 0.02 -0.13 0.00 0.00 0.00 174.94 174.96 3kg4 s ARG 63 N 4.92 0.19 0.15 2.79 0.52 -1.26 -5.08 118.95 121.19 3kg4 s ARG 63 Ca 0.69 -0.25 0.09 0.00 -0.52 0.00 0.00 55.73 55.74 3kg4 s ARG 63 Cb -0.20 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 3kg4 s ARG 63 CO 0.30 -0.03 -0.21 -0.06 0.02 0.00 0.00 175.30 175.32 3kg4 s PHE 64 N -0.70 1.99 -0.07 -0.53 0.08 -1.26 -0.62 117.98 116.88 3kg4 s PHE 64 Ca -0.08 -0.42 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 3kg4 s PHE 64 Cb -0.05 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3kg4 s PHE 64 CO -0.00 0.35 0.17 -2.00 -0.10 0.00 0.00 175.22 173.63 3kg4 s GLU 65 N -2.46 0.16 -0.09 0.44 2.12 0.22 -4.87 118.70 114.23 3kg4 s GLU 65 Ca 0.15 0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 3kg4 s GLU 65 Cb -0.08 -0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 3kg4 s GLU 65 CO 0.07 -0.09 1.12 0.45 -0.54 0.00 0.00 175.26 176.27 3kg4 s SER 66 N 0.60 7.12 0.12 -1.70 0.15 -1.26 -0.99 113.70 117.74 3kg4 s SER 66 Ca -0.04 1.68 0.05 0.00 0.70 0.00 0.00 55.95 58.34 3kg4 s SER 66 Cb -0.06 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3kg4 s SER 66 CO -0.03 -0.55 -0.13 0.68 1.20 0.00 0.00 173.24 174.41 3kg4 s VAL 67 N 2.27 1.23 0.10 4.45 -7.23 0.22 -4.95 120.40 116.49 3kg4 s VAL 67 Ca 0.52 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.64 3kg4 s VAL 67 Cb -0.22 -1.54 -0.06 0.00 0.56 0.00 0.00 36.38 35.12 3kg4 s VAL 67 CO 0.19 -0.49 1.11 0.00 -0.31 0.00 0.00 175.10 175.60 3kg4 s ARG 68 N -2.85 4.53 -0.10 4.82 1.70 -1.26 -1.31 118.95 124.48 3kg4 s ARG 68 Ca 0.09 1.68 -0.16 0.00 -0.47 0.00 0.00 55.73 56.87 3kg4 s ARG 68 Cb -0.03 -3.34 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 3kg4 s ARG 68 CO 0.02 -0.07 0.40 1.03 -1.08 0.00 0.00 175.30 175.60 3kg4 s ARG 69 N 0.43 4.19 -1.03 3.89 0.52 -1.26 -4.88 118.95 120.81 3kg4 s ARG 69 Ca 0.53 0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 56.03 3kg4 s ARG 69 Cb -0.28 -3.37 0.30 0.00 0.52 0.00 0.00 34.95 32.12 3kg4 s ARG 69 CO 0.31 0.34 1.33 0.27 0.02 0.00 0.00 175.30 177.57 3kg4 n ASN 70 N 3.11 5.94 0.00 0.23 2.04 -1.26 -4.75 115.26 120.57 3kg4 n ASN 70 Ca -0.11 -3.36 0.00 0.00 -0.44 0.00 0.00 54.58 50.67 3kg4 n ASN 70 Cb 0.52 -1.21 0.00 0.00 -2.53 0.00 0.00 39.78 36.56 3kg4 n ASN 70 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 3kg4 n ARG 104 N 1.46 0.00 -4.13 -3.83 0.00 -1.26 -5.21 116.66 103.69 3kg4 n ARG 104 Ca 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 58.01 3kg4 n ARG 104 Cb 0.35 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.71 3kg4 n ARG 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kg4 s ALA 105 N -3.39 0.78 0.05 2.89 0.00 -1.26 -4.50 121.76 116.33 3kg4 s ALA 105 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.75 3kg4 s ALA 105 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3kg4 s ALA 105 CO 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 175.76 175.42 3kg4 s ALA 106 N -3.47 0.70 -0.34 0.00 0.00 -0.43 -4.22 121.76 114.00 3kg4 s ALA 106 Ca 0.08 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 3kg4 s ALA 106 Cb 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3kg4 s ALA 106 CO -0.06 -0.00 0.22 0.99 0.00 0.00 0.00 175.76 176.91 3kg4 s THR 107 N -1.49 5.02 0.23 0.00 2.01 -0.09 -0.61 115.64 120.70 3kg4 s THR 107 Ca -0.07 -0.37 0.10 0.00 0.31 0.00 0.00 61.69 61.66 3kg4 s THR 107 Cb -0.09 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3kg4 s THR 107 CO 0.00 -0.03 -0.19 0.68 -0.69 0.00 0.00 174.62 174.39 3kg4 s VAL 108 N 1.67 2.18 0.46 3.82 -7.23 -0.16 -1.45 120.40 119.69 3kg4 s VAL 108 Ca 0.05 -2.21 -0.22 0.00 -1.81 0.00 0.00 61.98 57.79 3kg4 s VAL 108 Cb -0.18 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 3kg4 s VAL 108 CO 0.09 -0.37 1.11 -0.76 -0.31 0.00 0.00 175.10 174.85 3kg4 s LEU 109 N -3.16 3.97 -0.05 1.32 1.43 0.32 -0.61 118.68 121.91 3kg4 s LEU 109 Ca 0.24 2.15 0.06 0.00 -1.03 0.00 0.00 54.13 55.55 3kg4 s LEU 109 Cb -0.05 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.82 3kg4 s LEU 109 CO 0.11 -0.83 -0.23 -0.75 0.23 0.00 0.00 176.35 174.88 3kg4 s LYS 110 N -2.84 2.49 -0.78 1.70 2.20 0.21 -1.64 119.74 121.08 3kg4 s LYS 110 Ca 0.64 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 55.38 3kg4 s LYS 110 Cb -0.24 -2.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.87 3kg4 s LYS 110 CO 0.29 0.46 0.71 -0.25 -0.36 0.00 0.00 175.35 176.20 3kg4 n ASP 111 N 2.74 -7.41 -4.80 1.43 8.00 0.21 -4.49 116.55 112.24 3kg4 n ASP 111 Ca -0.17 -0.22 -0.25 0.00 0.71 0.00 0.00 54.79 54.86 3kg4 n ASP 111 Cb 0.52 -4.95 -0.05 0.00 -0.02 0.00 0.00 41.12 36.61 3kg4 n ASP 111 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kg4 s VAL 112 N -3.04 4.43 -0.24 2.53 -7.23 -0.42 -4.78 120.40 111.66 3kg4 s VAL 112 Ca 0.05 -1.17 -0.21 0.00 -1.81 0.00 0.00 61.98 58.84 3kg4 s VAL 112 Cb -0.01 -3.29 0.06 0.00 0.56 0.00 0.00 36.38 33.71 3kg4 s VAL 112 CO 0.76 -0.16 0.62 0.00 -0.31 0.00 0.00 175.10 176.02 3kg4 s ALA 113 N -1.84 -1.56 0.15 1.32 0.00 -1.26 -1.70 121.76 116.88 3kg4 s ALA 113 Ca 0.31 1.83 0.02 0.00 0.00 0.00 0.00 51.96 54.11 3kg4 s ALA 113 Cb -0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 3kg4 s ALA 113 CO 0.23 -0.30 -0.01 0.71 0.00 0.00 0.00 175.76 176.39 3kg4 s TYR 114 N 0.52 1.11 -0.12 0.00 2.02 0.37 -1.51 117.35 119.75 3kg4 s TYR 114 Ca -0.02 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.69 3kg4 s TYR 114 Cb -0.05 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3kg4 s TYR 114 CO -0.02 -0.21 -0.12 0.08 -1.57 0.00 0.00 175.55 173.71 3kg4 s VAL 115 N -3.67 3.16 -0.24 0.71 1.01 -0.41 -0.81 120.40 120.15 3kg4 s VAL 115 Ca 0.21 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3kg4 s VAL 115 Cb 0.06 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3kg4 s VAL 115 CO 0.01 0.54 0.09 -0.63 0.00 0.00 0.00 175.10 175.11 3kg4 s ILE 116 N 0.13 4.57 -0.16 2.22 -1.09 -0.15 -0.26 121.20 126.46 3kg4 s ILE 116 Ca -0.06 -0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.25 3kg4 s ILE 116 Cb -0.15 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 3kg4 s ILE 116 CO 0.04 0.35 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.32 3kg4 s GLU 117 N 1.35 3.47 0.15 2.79 2.12 -0.34 -1.28 118.70 126.96 3kg4 s GLU 117 Ca 0.05 -0.62 -0.13 0.00 0.36 0.00 0.00 54.97 54.63 3kg4 s GLU 117 Cb -0.15 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.45 3kg4 s GLU 117 CO 0.04 0.13 0.36 0.00 -0.54 0.00 0.00 175.26 175.26 3kg4 s ALA 118 N 0.61 -0.56 0.23 6.30 0.00 -0.60 -0.29 121.76 127.44 3kg4 s ALA 118 Ca -0.05 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.50 3kg4 s ALA 118 Cb -0.15 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 3kg4 s ALA 118 CO 0.03 -0.66 0.09 -3.38 0.00 0.00 0.00 175.76 171.84 3kg4 s HIS 119 N -3.87 1.37 -0.05 0.00 -3.43 -0.69 -0.23 115.29 108.39 3kg4 s HIS 119 Ca 0.09 -1.22 -0.04 0.00 -0.80 0.00 0.00 55.06 53.09 3kg4 s HIS 119 Cb 0.02 -0.77 -0.04 0.00 -1.43 0.00 0.00 32.58 30.37 3kg4 s HIS 119 CO -0.06 -0.41 0.14 0.00 -2.00 0.00 0.00 174.74 172.41 3kg4 s ALA 120 N -3.86 3.84 0.08 -1.38 0.00 -1.26 -0.04 121.76 119.13 3kg4 s ALA 120 Ca 0.36 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.67 3kg4 s ALA 120 Cb 0.07 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3kg4 s ALA 120 CO 0.11 0.69 -0.25 0.54 0.00 0.00 0.00 175.76 176.86 3kg4 s VAL 121 N -1.19 2.04 0.18 0.00 0.11 -0.27 -4.94 120.40 116.33 3kg4 s VAL 121 Ca 0.22 -1.49 -0.27 0.00 -2.93 0.00 0.00 61.98 57.52 3kg4 s VAL 121 Cb -0.12 -1.78 -0.08 0.00 -1.53 0.00 0.00 36.38 32.87 3kg4 s VAL 121 CO 0.13 0.21 0.83 -0.04 -3.33 0.00 0.00 175.10 172.89 3kg4 s MET 122 N -1.55 4.66 0.55 1.54 -1.94 -1.26 -1.20 119.30 120.09 3kg4 s MET 122 Ca 0.11 1.27 -0.01 0.00 -1.71 0.00 0.00 55.69 55.35 3kg4 s MET 122 Cb -0.10 -3.28 0.03 0.00 2.01 0.00 0.00 34.83 33.49 3kg4 s MET 122 CO 0.03 0.52 0.79 0.95 -0.01 0.00 0.00 175.02 177.31 3kg4 s THR 123 N -1.04 3.06 0.17 2.05 -4.23 0.21 -4.88 115.64 110.98 3kg4 s THR 123 Ca 0.38 -0.50 0.33 0.00 -1.18 0.00 0.00 61.69 60.71 3kg4 s THR 123 Cb -0.24 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 70.77 3kg4 s THR 123 CO 0.28 -0.13 2.00 0.77 -0.54 0.00 0.00 174.62 177.00 3kg4 h SER 124 N 0.04 0.00 -0.49 3.99 4.64 -1.90 -2.09 113.55 117.75 3kg4 h SER 124 Ca -0.44 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.74 3kg4 h SER 124 Cb 1.28 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.29 3kg4 h SER 124 CO 0.55 0.00 0.18 0.29 -0.87 0.00 0.00 176.83 176.98 3kg4 n LYS 125 N -2.68 2.81 -3.70 4.77 4.01 -1.26 -4.96 118.16 117.15 3kg4 n LYS 125 Ca -0.02 -2.00 -0.23 0.00 -0.51 0.00 0.00 58.31 55.55 3kg4 n LYS 125 Cb 0.09 -1.90 -0.02 0.00 -0.51 0.00 0.00 35.03 32.69 3kg4 n LYS 125 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kg4 s ALA 126 N -2.13 3.83 0.33 7.82 0.00 -0.79 -4.36 121.76 126.45 3kg4 s ALA 126 Ca 0.36 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 3kg4 s ALA 126 Cb 0.29 -1.92 -0.12 0.00 0.00 0.00 0.00 23.12 21.37 3kg4 s ALA 126 CO 0.09 0.18 1.46 0.41 0.00 0.00 0.00 175.76 177.90 3kg4 n GLY 127 N -1.40 1.03 0.33 0.00 0.00 -1.26 -4.89 105.19 99.00 3kg4 n GLY 127 Ca -0.07 0.38 0.18 0.00 0.00 0.00 0.00 46.02 46.51 3kg4 n GLY 127 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kg4 h VAL 128 N 2.97 0.38 -0.23 1.61 -1.51 -1.98 0.27 116.25 117.75 3kg4 h VAL 128 Ca -0.48 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3kg4 h VAL 128 Cb 1.25 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3kg4 h VAL 128 CO 0.69 0.06 0.00 0.47 -1.23 0.00 0.00 177.57 177.57 3kg4 n ASP 129 N -5.07 2.72 -4.75 4.19 9.92 -1.26 -5.05 116.55 117.25 3kg4 n ASP 129 Ca 0.26 -1.80 -0.37 0.00 -0.53 0.00 0.00 54.79 52.35 3kg4 n ASP 129 Cb 0.80 -0.15 0.03 0.00 -0.64 0.00 0.00 41.12 41.16 3kg4 n ASP 129 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3kg4 s GLU 130 N -1.13 3.14 0.37 -1.24 2.12 0.95 -5.04 118.70 117.87 3kg4 s GLU 130 Ca 0.24 2.00 0.03 0.00 0.36 0.00 0.00 54.97 57.60 3kg4 s GLU 130 Cb 0.14 -2.14 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 3kg4 s GLU 130 CO 0.20 -1.12 0.12 0.27 -0.54 0.00 0.00 175.26 174.19 3kg4 n ASN 131 N -1.20 1.39 0.06 -1.70 6.94 -1.26 -4.90 115.26 114.58 3kg4 n ASN 131 Ca 0.11 -2.95 0.13 0.00 -0.02 0.00 0.00 54.58 51.86 3kg4 n ASN 131 Cb 0.47 0.87 0.43 0.00 -2.36 0.00 0.00 39.78 39.19 3kg4 n ASN 131 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3kg4 n THR 132 N -0.85 0.32 -0.06 5.53 -2.24 -1.26 -4.41 114.28 111.31 3kg4 n THR 132 Ca -0.06 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 3kg4 n THR 132 Cb 0.55 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 3kg4 n THR 132 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3kg4 h THR 133 N 0.00 1.03 -0.57 4.28 2.02 -1.97 0.06 112.91 117.77 3kg4 h THR 133 Ca 0.00 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 3kg4 h THR 133 Cb 0.64 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3kg4 h THR 133 CO 0.00 0.05 0.07 0.11 0.37 0.00 0.00 175.52 176.12 3kg4 h LYS 134 N 0.29 0.92 -0.15 6.66 1.57 -2.00 -1.17 116.57 122.70 3kg4 h LYS 134 Ca 0.09 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3kg4 h LYS 134 Cb -0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3kg4 h LYS 134 CO -0.04 0.87 -0.06 0.45 -0.57 0.00 0.00 179.45 180.10 3kg4 h HIS 135 N 0.87 0.35 -0.04 -1.35 3.86 -1.71 0.11 115.15 117.23 3kg4 h HIS 135 Ca 0.17 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3kg4 h HIS 135 Cb 0.41 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3kg4 h HIS 135 CO 0.03 0.61 -0.14 0.82 0.86 0.00 0.00 177.93 180.11 3kg4 h ILE 136 N -0.02 0.65 -0.65 2.45 1.08 -0.91 -0.41 117.51 119.70 3kg4 h ILE 136 Ca 0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3kg4 h ILE 136 Cb 0.51 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 3kg4 h ILE 136 CO 0.02 0.00 0.40 -0.33 -0.69 0.00 0.00 178.15 177.55 3kg4 h GLU 137 N -0.21 0.77 -0.67 2.37 4.39 -1.13 -1.56 114.58 118.54 3kg4 h GLU 137 Ca 0.06 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3kg4 h GLU 137 Cb 0.29 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3kg4 h GLU 137 CO -0.16 0.51 0.25 1.98 -1.16 0.00 0.00 179.01 180.43 3kg4 h MET 138 N 0.80 1.02 -0.17 2.33 1.85 -0.64 -1.15 114.93 118.97 3kg4 h MET 138 Ca 0.26 -0.20 0.02 0.00 -0.61 0.00 0.00 59.70 59.17 3kg4 h MET 138 Cb 0.01 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 31.86 3kg4 h MET 138 CO -0.10 0.87 0.04 0.35 -0.40 0.00 0.00 176.91 177.66 3kg4 h PHE 139 N 0.96 0.07 -0.69 1.39 3.57 -0.67 -1.22 116.94 120.36 3kg4 h PHE 139 Ca 0.22 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 3kg4 h PHE 139 Cb 0.24 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3kg4 h PHE 139 CO 0.02 0.03 0.14 0.87 -2.23 0.00 0.00 178.31 177.13 3kg4 h LYS 140 N 0.11 1.13 0.37 1.11 1.57 -1.09 -0.03 116.57 119.74 3kg4 h LYS 140 Ca 0.08 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3kg4 h LYS 140 Cb 0.06 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3kg4 h LYS 140 CO -0.10 1.01 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.53 3kg4 h ARG 141 N 1.06 -0.48 -0.74 3.15 2.43 -0.87 0.11 114.38 119.04 3kg4 h ARG 141 Ca 0.21 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.56 3kg4 h ARG 141 Cb 0.41 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.98 3kg4 h ARG 141 CO 0.01 -0.23 0.28 0.00 -1.51 0.00 0.00 179.97 178.51 3kg4 h ARG 142 N -0.67 0.40 -0.51 0.20 3.08 -1.17 -2.49 114.38 113.23 3kg4 h ARG 142 Ca -0.05 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3kg4 h ARG 142 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3kg4 h ARG 142 CO 0.08 0.26 -0.09 0.00 -1.07 0.00 0.00 179.97 179.16 3kg4 h ALA 143 N 1.54 0.89 -0.06 0.04 0.00 -0.49 -0.91 119.26 120.27 3kg4 h ALA 143 Ca 0.40 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kg4 h ALA 143 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kg4 h ALA 143 CO -0.41 0.64 -0.06 -0.07 0.00 0.00 0.00 179.25 179.35 3kg4 h LEU 144 N 0.83 0.08 0.00 0.00 3.38 -0.32 -1.77 115.31 117.51 3kg4 h LEU 144 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kg4 h LEU 144 Cb 0.61 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kg4 h LEU 144 CO 0.04 0.16 0.00 0.29 0.09 0.00 0.00 178.44 179.02 3kg4 n LYS 145 N -4.41 0.33 -1.85 1.13 5.02 -1.17 -4.87 118.16 112.34 3kg4 n LYS 145 Ca -0.02 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3kg4 n LYS 145 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3kg4 n LYS 145 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kg4 n GLY 146 N 1.16 0.58 3.93 0.72 0.00 -0.66 -5.01 105.19 105.90 3kg4 n GLY 146 Ca 0.12 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3kg4 n GLY 146 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kg4 s GLN 147 N -3.97 3.51 -0.02 1.61 -2.07 -0.35 -5.03 119.66 113.33 3kg4 s GLN 147 Ca 0.00 -0.37 -0.27 0.00 -1.82 0.00 0.00 55.36 52.89 3kg4 s GLN 147 Cb 0.00 -2.85 0.06 0.00 -1.09 0.00 0.00 33.01 29.13 3kg4 s GLN 147 CO 0.00 0.41 0.60 0.00 -1.32 0.00 0.00 175.29 174.98 3kg4 h PHE 149 N 3.04 -0.57 -3.94 0.00 3.57 -1.16 -3.45 116.94 114.44 3kg4 h PHE 149 Ca -0.28 -0.01 -0.69 0.00 3.53 0.00 0.00 57.97 60.52 3kg4 h PHE 149 Cb 1.16 0.19 -0.22 0.00 2.79 0.00 0.00 35.95 39.87 3kg4 h PHE 149 CO 0.39 -0.32 -0.84 1.14 -2.23 0.00 0.00 178.31 176.45 3kg4 s GLN 150 N -3.73 1.70 0.10 1.11 -2.07 -1.06 -5.07 119.66 110.64 3kg4 s GLN 150 Ca -0.10 -1.19 -0.31 0.00 -1.82 0.00 0.00 55.36 51.94 3kg4 s GLN 150 Cb 0.01 -2.03 -0.10 0.00 -1.09 0.00 0.00 33.01 29.80 3kg4 s GLN 150 CO 0.32 0.49 1.89 -1.14 -1.32 0.00 0.00 175.29 175.52 3kg4 s GLN 151 N -1.83 4.13 0.56 9.60 2.00 -1.26 -4.57 119.66 128.30 3kg4 s GLN 151 Ca 0.15 2.62 -0.18 0.00 -2.00 0.00 0.00 55.36 55.95 3kg4 s GLN 151 Cb -0.10 -3.77 -0.05 0.00 0.80 0.00 0.00 33.01 29.89 3kg4 s GLN 151 CO 0.06 -0.89 1.10 -1.25 -0.50 0.00 0.00 175.29 173.82 3kg4 s PRO 152 N 3.27 3.32 0.10 1.67 0.04 -1.26 -4.97 135.00 137.16 3kg4 s PRO 152 Ca 0.84 1.46 0.05 0.00 0.04 0.00 0.00 61.00 63.39 3kg4 s PRO 152 Cb -0.45 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3kg4 s PRO 152 CO 0.38 -0.84 -0.13 0.00 0.04 0.00 0.00 177.00 176.45 3kg4 n MET 154 N 0.83 4.10 0.00 0.00 2.81 0.76 -4.63 117.12 120.98 3kg4 n MET 154 Ca -0.18 -3.92 0.00 0.00 -1.81 0.00 0.00 57.70 51.79 3kg4 n MET 154 Cb 0.56 -2.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.33 3kg4 n MET 154 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kg4 n GLY 155 N 2.05 2.49 3.09 3.03 0.00 -1.26 -1.49 105.19 113.09 3kg4 n GLY 155 Ca 0.38 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3kg4 n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kg4 s VAL 156 N -1.08 0.60 0.45 1.61 -7.23 -1.23 -4.80 120.40 108.73 3kg4 s VAL 156 Ca 0.00 -1.23 0.18 0.00 -1.81 0.00 0.00 61.98 59.12 3kg4 s VAL 156 Cb 0.00 -0.81 0.37 0.00 0.56 0.00 0.00 36.38 36.50 3kg4 s VAL 156 CO 0.00 -0.45 1.93 0.08 -0.31 0.00 0.00 175.10 176.34 3kg4 h ARG 157 N 4.24 0.32 0.00 4.82 -0.00 -1.96 -1.63 114.38 120.17 3kg4 h ARG 157 Ca -0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 3kg4 h ARG 157 Cb 1.20 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 3kg4 h ARG 157 CO 0.44 0.21 0.00 -0.85 -0.00 0.00 0.00 179.97 179.78 3kg4 n GLU 158 N -4.46 0.06 -3.87 0.08 -0.00 -1.26 -4.46 120.64 106.74 3kg4 n GLU 158 Ca 0.14 0.13 -0.34 0.00 -0.00 0.00 0.00 57.16 57.09 3kg4 n GLU 158 Cb 0.57 -1.50 -0.13 0.00 -0.00 0.00 0.00 31.44 30.38 3kg4 n GLU 158 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3kg4 s PHE 159 N -2.92 3.65 0.46 -1.84 0.08 -0.62 -5.08 117.98 111.71 3kg4 s PHE 159 Ca 0.12 -2.62 -0.22 0.00 0.12 0.00 0.00 56.93 54.34 3kg4 s PHE 159 Cb 0.14 -3.08 -0.08 0.00 -0.57 0.00 0.00 43.02 39.43 3kg4 s PHE 159 CO 0.37 -0.96 1.05 -1.25 -0.10 0.00 0.00 175.22 174.34 3kg4 s PRO 160 N 1.05 3.90 -0.34 0.24 0.04 -1.26 -0.17 135.00 138.46 3kg4 s PRO 160 Ca 0.09 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 3kg4 s PRO 160 Cb -0.21 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 3kg4 s PRO 160 CO -0.06 -0.36 0.25 0.00 0.04 0.00 0.00 177.00 176.88 3kg4 s ALA 161 N -1.84 3.51 0.42 8.56 0.00 -0.06 -4.55 121.76 127.79 3kg4 s ALA 161 Ca 0.64 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 3kg4 s ALA 161 Cb -0.19 -2.68 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 3kg4 s ALA 161 CO 0.23 -0.95 0.90 -1.01 0.00 0.00 0.00 175.76 174.94 3kg4 s HIS 162 N 1.77 3.35 0.08 0.00 3.76 -0.62 -4.57 115.29 119.05 3kg4 s HIS 162 Ca 0.07 1.49 -0.15 0.00 -0.15 0.00 0.00 55.06 56.31 3kg4 s HIS 162 Cb -0.17 -2.76 0.03 0.00 1.11 0.00 0.00 32.58 30.79 3kg4 s HIS 162 CO 0.11 -0.10 0.36 -0.59 -0.85 0.00 0.00 174.74 173.67 3kg4 s PHE 163 N -2.20 -0.17 -0.18 1.40 -0.12 -1.26 -1.15 117.98 114.31 3kg4 s PHE 163 Ca 0.60 -0.04 -0.10 0.00 -0.05 0.00 0.00 56.93 57.33 3kg4 s PHE 163 Cb -0.09 0.18 0.06 0.00 -0.63 0.00 0.00 43.02 42.54 3kg4 s PHE 163 CO 0.17 -0.61 0.44 0.00 -0.05 0.00 0.00 175.22 175.17 3kg4 s ALA 164 N -3.16 -1.13 0.45 1.99 0.00 0.07 -4.88 121.76 115.10 3kg4 s ALA 164 Ca -0.01 1.60 -0.25 0.00 0.00 0.00 0.00 51.96 53.30 3kg4 s ALA 164 Cb 0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 3kg4 s ALA 164 CO -0.07 -0.27 1.36 -1.17 0.00 0.00 0.00 175.76 175.61 3kg4 s LEU 165 N 1.35 4.09 -0.58 0.00 2.96 -1.26 -0.50 118.68 124.75 3kg4 s LEU 165 Ca -0.09 2.78 -0.07 0.00 -0.22 0.00 0.00 54.13 56.52 3kg4 s LEU 165 Cb -0.08 -4.00 0.15 0.00 0.50 0.00 0.00 46.19 42.76 3kg4 s LEU 165 CO -0.13 -1.13 0.43 -0.63 -1.32 0.00 0.00 176.35 173.58 3kg4 s ILE 166 N -1.26 4.19 1.02 6.68 -1.09 0.44 -4.79 121.20 126.40 3kg4 s ILE 166 Ca 0.62 -2.32 -0.16 0.00 -2.23 0.00 0.00 60.65 56.55 3kg4 s ILE 166 Cb -0.41 -3.72 0.22 0.00 -1.58 0.00 0.00 42.46 36.97 3kg4 s ILE 166 CO 0.51 -0.84 1.23 -0.62 -1.23 0.00 0.00 174.94 173.99 3kg4 s ASP 167 N 1.84 2.54 0.38 3.58 -1.08 -1.26 -4.20 116.67 118.47 3kg4 s ASP 167 Ca 0.12 0.47 0.08 0.00 -0.52 0.00 0.00 52.55 52.69 3kg4 s ASP 167 Cb -0.21 -0.64 0.75 0.00 -1.46 0.00 0.00 42.92 41.36 3kg4 s ASP 167 CO -0.03 -3.10 1.93 -0.78 0.52 0.00 0.00 175.17 173.70 3kg4 h ASP 168 N -1.89 0.33 -0.47 -0.34 1.82 -1.98 -2.06 116.42 111.83 3kg4 h ASP 168 Ca -0.45 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 3kg4 h ASP 168 Cb 1.27 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.19 3kg4 h ASP 168 CO 0.40 0.42 0.00 0.59 -1.61 0.00 0.00 179.24 179.04 3kg4 n ASN 169 N -4.31 4.58 -4.91 2.28 3.02 -1.26 -4.90 115.26 109.77 3kg4 n ASN 169 Ca 0.00 -2.73 -0.30 0.00 -0.03 0.00 0.00 54.58 51.53 3kg4 n ASN 169 Cb 0.23 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 3kg4 n ASN 169 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kg4 s ASP 170 N -1.22 6.45 0.46 6.41 1.01 -0.77 -5.13 116.67 123.87 3kg4 s ASP 170 Ca 0.46 0.54 -0.06 0.00 0.71 0.00 0.00 52.55 54.20 3kg4 s ASP 170 Cb 0.34 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 3kg4 s ASP 170 CO 0.16 -0.02 0.77 -2.16 0.21 0.00 0.00 175.17 174.14 3kg4 s PRO 171 N -3.01 3.60 0.27 8.23 0.04 -1.26 -4.78 135.00 138.08 3kg4 s PRO 171 Ca 0.41 0.26 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 3kg4 s PRO 171 Cb -0.12 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 3kg4 s PRO 171 CO 0.27 -0.15 1.14 -0.51 0.04 0.00 0.00 177.00 177.78 3kg4 s LEU 172 N -4.49 4.52 0.59 -3.56 1.43 -1.26 -5.00 118.68 110.91 3kg4 s LEU 172 Ca 0.48 2.30 -0.18 0.00 -1.03 0.00 0.00 54.13 55.70 3kg4 s LEU 172 Cb -0.10 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3kg4 s LEU 172 CO 0.41 -0.22 0.84 -2.65 0.23 0.00 0.00 176.35 174.96 3kg4 n PRO 173 N 1.40 0.79 -2.60 1.29 -0.02 -1.26 -4.96 135.00 129.64 3kg4 n PRO 173 Ca -0.00 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 3kg4 n PRO 173 Cb 0.44 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 3kg4 n PRO 173 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kg4 s LEU 174 N -1.23 4.05 0.46 2.45 2.34 -1.26 -5.02 118.68 120.47 3kg4 s LEU 174 Ca 0.74 1.94 -0.23 0.00 0.06 0.00 0.00 54.13 56.64 3kg4 s LEU 174 Cb -0.43 -4.32 -0.08 0.00 -0.56 0.00 0.00 46.19 40.80 3kg4 s LEU 174 CO 0.49 -0.52 1.14 -0.44 -1.06 0.00 0.00 176.35 175.97 3kg4 s SER 175 N -1.77 6.23 -0.33 1.48 0.01 -1.26 -4.94 113.70 113.13 3kg4 s SER 175 Ca 0.60 2.25 0.07 0.00 1.31 0.00 0.00 55.95 60.18 3kg4 s SER 175 Cb -0.18 -2.60 0.54 0.00 0.21 0.00 0.00 66.02 63.99 3kg4 s SER 175 CO 0.23 -0.87 1.56 0.00 0.41 0.00 0.00 173.24 174.57 3kg4 n GLN 176 N -0.50 1.93 -2.81 12.44 6.02 0.27 -5.03 117.38 129.71 3kg4 n GLN 176 Ca 0.07 -3.17 -0.38 0.00 -0.01 0.00 0.00 57.00 53.51 3kg4 n GLN 176 Cb 0.49 -1.90 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 3kg4 n GLN 176 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kg4 s LEU 177 N -3.28 4.43 0.28 1.08 1.43 -1.24 -4.33 118.68 117.05 3kg4 s LEU 177 Ca 0.47 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 3kg4 s LEU 177 Cb 0.42 -3.85 -0.12 0.00 0.03 0.00 0.00 46.19 42.68 3kg4 s LEU 177 CO 0.02 0.01 1.53 -1.54 0.23 0.00 0.00 176.35 176.60 3kg4 n SER 178 N 0.85 3.51 -0.24 2.29 3.41 -1.26 -4.79 113.62 117.39 3kg4 n SER 178 Ca 0.00 1.15 0.15 0.00 -0.26 0.00 0.00 58.87 59.91 3kg4 n SER 178 Cb 0.49 -1.54 0.29 0.00 -0.26 0.00 0.00 64.21 63.19 3kg4 n SER 178 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3kg4 n GLU 179 N 2.08 -0.05 -0.02 4.33 0.00 -1.26 0.13 120.64 125.84 3kg4 n GLU 179 Ca 0.09 1.06 0.12 0.00 0.00 0.00 0.00 57.16 58.43 3kg4 n GLU 179 Cb 0.35 -1.75 0.59 0.00 0.00 0.00 0.00 31.44 30.63 3kg4 n GLU 179 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3kg4 n SER 180 N -4.87 0.78 -0.17 -1.84 3.41 -1.26 -3.43 113.62 106.24 3kg4 n SER 180 Ca 0.21 -1.42 0.03 0.00 -0.26 0.00 0.00 58.87 57.42 3kg4 n SER 180 Cb 0.69 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.62 3kg4 n SER 180 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3kg4 n GLU 181 N -0.32 1.06 0.23 4.33 2.13 0.34 -4.65 120.64 123.76 3kg4 n GLU 181 Ca 0.18 -0.64 0.08 0.00 0.66 0.00 0.00 57.16 57.44 3kg4 n GLU 181 Cb 0.21 -1.02 0.54 0.00 0.27 0.00 0.00 31.44 31.44 3kg4 n GLU 181 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3kg4 h PHE 182 N 0.83 0.00 -3.27 4.31 3.57 -1.14 -3.41 116.94 117.84 3kg4 h PHE 182 Ca 0.00 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 3kg4 h PHE 182 Cb 0.20 0.00 -0.38 0.00 2.79 0.00 0.00 35.95 38.56 3kg4 h PHE 182 CO 0.00 0.23 -0.78 -0.80 -2.23 0.00 0.00 178.31 174.73 3kg4 s ASN 183 N -6.51 2.33 -0.19 0.41 0.01 -1.26 -1.17 114.94 108.56 3kg4 s ASN 183 Ca -0.02 -0.44 -0.13 0.00 -0.71 0.00 0.00 52.86 51.55 3kg4 s ASN 183 Cb 0.13 -0.68 0.06 0.00 0.41 0.00 0.00 41.25 41.17 3kg4 s ASN 183 CO 0.65 -0.20 0.48 -0.60 -1.51 0.00 0.00 177.10 175.92 3kg4 s ARG 184 N 1.80 0.50 -0.44 -0.60 3.52 -0.75 -5.01 118.95 117.98 3kg4 s ARG 184 Ca 0.03 0.80 -0.27 0.00 -0.13 0.00 0.00 55.73 56.16 3kg4 s ARG 184 Cb -0.14 0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.39 3kg4 s ARG 184 CO -0.07 -0.12 1.01 0.34 -0.81 0.00 0.00 175.30 175.64 3kg4 s ASP 185 N 0.97 6.60 0.00 -2.12 -1.08 -1.26 -1.04 116.67 118.74 3kg4 s ASP 185 Ca -0.06 0.37 0.28 0.00 -0.52 0.00 0.00 52.55 52.62 3kg4 s ASP 185 Cb -0.06 -2.49 1.02 0.00 -1.46 0.00 0.00 42.92 39.92 3kg4 s ASP 185 CO -0.08 -1.07 1.75 0.18 0.52 0.00 0.00 175.17 176.46 3kg4 n LEU 186 N 7.30 0.32 0.00 -1.34 4.77 -0.24 -5.00 117.00 122.82 3kg4 n LEU 186 Ca 0.09 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3kg4 n LEU 186 Cb 0.48 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kg4 n LEU 186 CO 0.65 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3kg4 n GLY 187 N 1.42 -1.75 3.71 -0.72 0.00 -1.18 -4.83 105.19 101.84 3kg4 n GLY 187 Ca 0.09 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3kg4 n GLY 187 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kg4 s TRP 188 N 0.00 3.68 0.05 1.61 0.52 -1.26 -1.30 118.94 122.24 3kg4 s TRP 188 Ca 0.00 1.71 0.01 0.00 0.02 0.00 0.00 56.10 57.84 3kg4 s TRP 188 Cb 0.00 -3.11 -0.03 0.00 -1.15 0.00 0.00 33.47 29.19 3kg4 s TRP 188 CO 0.00 0.02 -0.06 -1.64 0.02 0.00 0.00 176.95 175.29 3kg4 s MET 189 N 0.87 0.53 0.14 4.98 -1.94 -0.24 -4.94 119.30 118.70 3kg4 s MET 189 Ca 0.51 -0.85 -0.33 0.00 -1.71 0.00 0.00 55.69 53.30 3kg4 s MET 189 Cb -0.21 -0.15 -0.13 0.00 2.01 0.00 0.00 34.83 36.35 3kg4 s MET 189 CO 0.28 0.00 1.67 -0.11 -0.01 0.00 0.00 175.02 176.85 3kg4 n LEU 190 N 1.15 3.39 -0.04 -0.03 7.94 -1.26 -0.74 117.00 127.40 3kg4 n LEU 190 Ca -0.21 1.06 -0.02 0.00 -1.11 0.00 0.00 56.01 55.73 3kg4 n LEU 190 Cb 0.56 -1.46 -0.01 0.00 0.53 0.00 0.00 43.42 43.05 3kg4 n LEU 190 CO 0.23 -0.13 -0.16 -0.74 -1.11 0.00 0.00 177.39 175.48 3kg4 h HIS 191 N 6.72 0.00 -2.59 1.96 -0.00 -0.76 -3.39 115.15 117.10 3kg4 h HIS 191 Ca -0.45 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.05 3kg4 h HIS 191 Cb 1.24 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.61 3kg4 h HIS 191 CO 0.67 0.00 0.48 0.34 -0.00 0.00 0.00 177.93 179.42 3kg4 s ASP 192 N -4.96 -0.06 0.06 3.26 3.68 -1.06 -1.59 116.67 116.00 3kg4 s ASP 192 Ca -0.07 -0.68 0.09 0.00 2.13 0.00 0.00 52.55 54.02 3kg4 s ASP 192 Cb 0.01 0.58 -0.03 0.00 -1.45 0.00 0.00 42.92 42.03 3kg4 s ASP 192 CO 0.10 -1.12 -0.24 -0.63 0.13 0.00 0.00 175.17 173.40 3kg4 s ILE 193 N -2.62 1.99 -0.32 4.11 1.01 -1.26 -1.23 121.20 122.89 3kg4 s ILE 193 Ca 0.17 -1.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 3kg4 s ILE 193 Cb -0.03 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 3kg4 s ILE 193 CO 0.06 0.25 0.17 1.51 0.00 0.00 0.00 174.94 176.92 3kg4 s ASP 194 N -1.40 5.64 -0.93 3.58 -4.77 -1.26 -4.96 116.67 112.56 3kg4 s ASP 194 Ca 0.11 -0.52 -0.15 0.00 -3.30 0.00 0.00 52.55 48.69 3kg4 s ASP 194 Cb -0.10 -2.02 0.20 0.00 -1.09 0.00 0.00 42.92 39.91 3kg4 s ASP 194 CO 0.03 -0.21 0.97 -0.36 0.70 0.00 0.00 175.17 176.30 3kg4 s PHE 195 N 1.63 3.65 0.00 2.11 0.08 -1.26 -4.86 117.98 119.33 3kg4 s PHE 195 Ca 0.05 -1.95 0.00 0.00 0.12 0.00 0.00 56.93 55.15 3kg4 s PHE 195 Cb -0.17 -3.99 0.00 0.00 -0.57 0.00 0.00 43.02 38.29 3kg4 s PHE 195 CO 0.07 -1.15 0.00 2.41 -0.10 0.00 0.00 175.22 176.45 3kg4 n THR 200 N 4.24 -0.37 -2.78 0.64 -1.04 -1.26 -5.36 114.28 108.35 3kg4 n THR 200 Ca 0.20 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.86 3kg4 n THR 200 Cb 0.46 -0.66 -0.06 0.00 -1.82 0.00 0.00 70.33 68.25 3kg4 n THR 200 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kg4 s PRO 201 N -0.03 4.41 -0.06 -2.82 0.02 -1.26 -4.49 135.00 130.76 3kg4 s PRO 201 Ca 0.00 1.26 0.03 0.00 0.02 0.00 0.00 61.00 62.31 3kg4 s PRO 201 Cb 0.00 -2.53 0.01 0.00 0.02 0.00 0.00 34.50 32.00 3kg4 s PRO 201 CO 0.00 0.12 -0.14 -1.58 -0.33 0.00 0.00 177.00 175.07 3kg4 s HIS 202 N -1.85 1.59 0.26 6.54 2.46 -0.36 -4.99 115.29 118.94 3kg4 s HIS 202 Ca 0.56 -0.57 0.08 0.00 0.47 0.00 0.00 55.06 55.59 3kg4 s HIS 202 Cb -0.15 -1.13 -0.04 0.00 -0.13 0.00 0.00 32.58 31.13 3kg4 s HIS 202 CO 0.20 -0.26 0.14 -0.06 -2.47 0.00 0.00 174.74 172.29 3kg4 s PHE 203 N 0.50 2.99 0.08 3.88 0.08 -1.26 -0.06 117.98 124.19 3kg4 s PHE 203 Ca -0.13 -0.15 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 3kg4 s PHE 203 Cb -0.15 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 3kg4 s PHE 203 CO 0.04 0.54 0.03 -0.59 -0.10 0.00 0.00 175.22 175.14 3kg4 s PHE 204 N -2.19 0.55 -0.48 0.36 -0.12 0.08 -4.71 117.98 111.47 3kg4 s PHE 204 Ca 0.33 -1.03 -0.24 0.00 -0.05 0.00 0.00 56.93 55.94 3kg4 s PHE 204 Cb -0.07 -0.35 0.03 0.00 -0.63 0.00 0.00 43.02 41.99 3kg4 s PHE 204 CO 0.24 -0.45 0.86 0.50 -0.05 0.00 0.00 175.22 176.32 3kg4 s ARG 205 N -3.95 3.41 -0.22 1.99 6.06 -1.26 -1.08 118.95 123.91 3kg4 s ARG 205 Ca 0.11 -0.11 -0.21 0.00 -2.50 0.00 0.00 55.73 53.03 3kg4 s ARG 205 Cb 0.07 -3.97 -0.02 0.00 0.06 0.00 0.00 34.95 31.09 3kg4 s ARG 205 CO -0.07 -1.25 0.64 0.00 -2.50 0.00 0.00 175.30 172.12 3kg4 s ALA 206 N 3.57 3.57 -0.07 6.12 0.00 -0.42 -4.98 121.76 129.54 3kg4 s ALA 206 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.96 3kg4 s ALA 206 Cb -0.12 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3kg4 s ALA 206 CO 0.22 -0.64 -0.07 -2.00 0.00 0.00 0.00 175.76 173.27 3kg4 s GLU 207 N 2.12 1.21 -0.33 0.00 2.12 -1.26 -1.07 118.70 121.49 3kg4 s GLU 207 Ca 0.28 -0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 3kg4 s GLU 207 Cb -0.16 -1.23 0.01 0.00 0.26 0.00 0.00 34.13 33.02 3kg4 s GLU 207 CO 0.10 -0.15 0.91 -1.17 -0.54 0.00 0.00 175.26 174.41 3kg4 s LEU 208 N 1.27 4.02 -0.19 2.70 2.96 -0.21 -4.17 118.68 125.07 3kg4 s LEU 208 Ca -0.04 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3kg4 s LEU 208 Cb -0.14 -3.26 0.04 0.00 0.50 0.00 0.00 46.19 43.33 3kg4 s LEU 208 CO -0.02 -0.77 -0.11 -0.54 -1.32 0.00 0.00 176.35 173.58 3kg4 s LYS 209 N 3.32 2.09 -1.37 1.98 1.02 0.74 -1.80 119.74 125.72 3kg4 s LYS 209 Ca 0.38 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.53 3kg4 s LYS 209 Cb -0.13 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3kg4 s LYS 209 CO 0.16 -0.38 0.41 0.09 -0.92 0.00 0.00 175.35 174.71 3kg4 n ASN 210 N 4.71 -1.25 0.00 2.83 3.02 -0.89 -1.66 115.26 122.02 3kg4 n ASN 210 Ca -0.15 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3kg4 n ASN 210 Cb 0.47 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 3kg4 n ASN 210 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kg4 n GLY 211 N -2.09 0.66 3.13 7.41 0.00 -0.32 -5.00 105.19 108.99 3kg4 n GLY 211 Ca -0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3kg4 n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kg4 s VAL 212 N -2.84 1.32 -0.28 1.61 1.01 -0.66 -1.28 120.40 119.27 3kg4 s VAL 212 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3kg4 s VAL 212 Cb 0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3kg4 s VAL 212 CO 0.00 0.38 0.09 -0.63 0.00 0.00 0.00 175.10 174.94 3kg4 s ILE 213 N -0.14 4.15 -0.06 2.22 1.01 -0.03 -0.18 121.20 128.16 3kg4 s ILE 213 Ca 0.01 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 59.91 3kg4 s ILE 213 Cb -0.09 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3kg4 s ILE 213 CO 0.01 0.16 0.75 -1.81 0.00 0.00 0.00 174.94 174.05 3kg4 s ASP 214 N 1.55 7.04 -0.28 3.58 1.01 -1.26 -0.87 116.67 127.44 3kg4 s ASP 214 Ca 0.04 1.26 -0.10 0.00 0.71 0.00 0.00 52.55 54.46 3kg4 s ASP 214 Cb -0.16 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3kg4 s ASP 214 CO 0.03 -0.16 0.15 -0.69 0.21 0.00 0.00 175.17 174.71 3kg4 s VAL 215 N 0.94 4.85 0.68 -1.27 1.01 -0.44 -4.81 120.40 121.36 3kg4 s VAL 215 Ca 0.40 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 3kg4 s VAL 215 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3kg4 s VAL 215 CO 0.19 0.24 1.06 -2.16 0.00 0.00 0.00 175.10 174.43 3kg4 s PRO 216 N 1.68 2.99 0.12 2.72 0.04 -1.26 -4.69 135.00 136.61 3kg4 s PRO 216 Ca 0.06 0.97 -0.35 0.00 0.04 0.00 0.00 61.00 61.73 3kg4 s PRO 216 Cb -0.16 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 3kg4 s PRO 216 CO 0.08 -1.06 1.13 -2.30 0.04 0.00 0.00 177.00 174.89 3kg4 n PRO 217 N -3.03 0.85 -0.25 0.56 -0.02 -1.26 -4.90 135.00 126.96 3kg4 n PRO 217 Ca 0.08 0.30 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 3kg4 n PRO 217 Cb 0.53 -1.79 0.05 0.00 -0.02 0.00 0.00 33.50 32.27 3kg4 n PRO 217 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kg4 h PHE 218 N 3.38 0.99 -3.70 6.00 3.57 -1.95 -3.45 116.94 121.78 3kg4 h PHE 218 Ca -0.44 -0.05 -0.50 0.00 3.53 0.00 0.00 57.97 60.51 3kg4 h PHE 218 Cb 1.37 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3kg4 h PHE 218 CO 0.55 0.75 0.10 0.71 -2.23 0.00 0.00 178.31 178.19 3kg4 s TYR 219 N -5.67 3.42 -2.00 0.41 2.02 -1.26 -5.09 117.35 109.19 3kg4 s TYR 219 Ca -0.13 1.12 0.31 0.00 -0.37 0.00 0.00 57.07 58.00 3kg4 s TYR 219 Cb 0.14 -2.48 1.82 0.00 -0.40 0.00 0.00 41.96 41.04 3kg4 s TYR 219 CO 0.80 -0.00 2.15 0.00 -1.57 0.00 0.00 175.55 176.93