#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gas n GLU 4 N 0.00 2.97 -0.34 -2.82 1.02 -1.26 -4.84 120.64 115.37 2gas n GLU 4 Ca 0.00 -4.51 0.07 0.00 -0.02 0.00 0.00 57.16 52.71 2gas n GLU 4 Cb 0.00 -2.43 0.18 0.00 -0.02 0.00 0.00 31.44 29.17 2gas n GLU 4 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2gas n ASN 5 N 2.09 2.25 -4.66 1.62 0.23 -1.26 -4.83 115.26 110.71 2gas n ASN 5 Ca 0.23 -3.42 -0.43 0.00 -0.53 0.00 0.00 54.58 50.44 2gas n ASN 5 Cb 0.37 -0.49 -0.02 0.00 -2.08 0.00 0.00 39.78 37.56 2gas n ASN 5 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2gas s LYS 6 N -3.03 4.27 -0.15 -3.83 1.02 -1.26 -3.90 119.74 112.86 2gas s LYS 6 Ca 0.36 1.39 -0.03 0.00 0.02 0.00 0.00 55.97 57.70 2gas s LYS 6 Cb 0.33 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 2gas s LYS 6 CO -0.00 -0.61 -0.05 0.42 -0.92 0.00 0.00 175.35 174.18 2gas s ILE 7 N 3.13 3.77 -0.19 2.17 1.01 -0.72 -0.94 121.20 129.42 2gas s ILE 7 Ca 0.45 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 2gas s ILE 7 Cb -0.16 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 2gas s ILE 7 CO 0.08 0.50 -0.03 -0.22 0.00 0.00 0.00 174.94 175.26 2gas s LEU 8 N 0.37 3.07 -0.21 2.97 2.96 0.72 -0.25 118.68 128.31 2gas s LEU 8 Ca -0.05 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2gas s LEU 8 Cb -0.14 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2gas s LEU 8 CO 0.03 0.06 0.03 -0.63 -1.32 0.00 0.00 176.35 174.52 2gas s ILE 9 N 1.02 4.16 -0.03 6.68 1.09 -0.06 -0.55 121.20 133.51 2gas s ILE 9 Ca 0.01 -0.24 -0.12 0.00 -1.10 0.00 0.00 60.65 59.21 2gas s ILE 9 Cb -0.15 -2.90 -0.05 0.00 -1.06 0.00 0.00 42.46 38.30 2gas s ILE 9 CO 0.01 0.41 0.32 -0.76 -0.10 0.00 0.00 174.94 174.82 2gas s LEU 10 N 1.09 4.44 -0.73 2.97 1.43 0.89 -2.18 118.68 126.59 2gas s LEU 10 Ca 0.03 0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 53.88 2gas s LEU 10 Cb -0.14 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2gas s LEU 10 CO 0.02 0.33 0.63 0.61 0.23 0.00 0.00 176.35 178.18 2gas n GLY 11 N 1.75 0.08 0.30 -3.19 0.00 -1.26 -1.23 105.19 101.63 2gas n GLY 11 Ca -0.15 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 45.88 2gas n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gas h PRO 12 N -1.37 0.00 -0.27 1.61 0.13 -1.81 -2.63 132.00 127.66 2gas h PRO 12 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2gas h PRO 12 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gas h PRO 12 CO 0.30 0.04 0.00 0.25 -0.23 0.00 0.00 178.00 178.36 2gas n THR 13 N -3.53 0.33 -1.18 1.56 -2.24 -1.26 -2.06 114.28 105.91 2gas n THR 13 Ca -0.02 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.83 2gas n THR 13 Cb 0.14 1.08 0.17 0.00 -2.10 0.00 0.00 70.33 69.62 2gas n THR 13 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gas s GLY 14 N -1.65 1.57 0.40 3.38 0.00 -0.99 -4.73 107.32 105.30 2gas s GLY 14 Ca 0.35 -0.33 0.10 0.00 0.00 0.00 0.00 44.72 44.85 2gas s GLY 14 CO 0.31 0.27 1.95 0.00 0.00 0.00 0.00 173.10 175.63 2gas h ALA 15 N -1.85 1.88 0.05 3.20 0.00 -1.89 -2.39 119.26 118.26 2gas h ALA 15 Ca -0.54 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.00 2gas h ALA 15 Cb 1.32 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2gas h ALA 15 CO 0.57 -0.03 -2.09 -0.89 0.00 0.00 0.00 179.25 176.82 2gas n ILE 16 N -4.49 1.62 -0.34 0.00 5.41 -1.26 -4.45 119.36 115.85 2gas n ILE 16 Ca 0.11 -0.48 0.10 0.00 1.00 0.00 0.00 62.75 63.49 2gas n ILE 16 Cb 0.34 -1.72 0.28 0.00 -0.71 0.00 0.00 39.64 37.83 2gas n ILE 16 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2gas h GLY 17 N 0.65 1.67 0.65 7.39 0.00 -1.68 -2.13 103.07 109.62 2gas h GLY 17 Ca -0.50 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 46.57 2gas h GLY 17 CO -0.10 -0.01 0.62 0.07 0.00 0.00 0.00 176.54 177.12 2gas h ARG 18 N 0.78 1.00 0.00 4.80 0.11 -0.88 -0.70 114.38 119.48 2gas h ARG 18 Ca 0.54 -0.06 -0.06 0.00 0.10 0.00 0.00 59.98 60.50 2gas h ARG 18 Cb 0.76 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 2gas h ARG 18 CO -0.36 0.66 -0.28 0.45 0.10 0.00 0.00 179.97 180.54 2gas h HIS 19 N 1.03 0.00 0.05 4.08 3.86 -1.62 -1.20 115.15 121.34 2gas h HIS 19 Ca 0.45 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.39 2gas h HIS 19 Cb 0.35 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.84 2gas h HIS 19 CO -0.00 0.28 -1.09 0.82 0.86 0.00 0.00 177.93 178.79 2gas h ILE 20 N 0.00 1.34 -0.05 2.45 2.04 -1.14 -1.65 117.51 120.50 2gas h ILE 20 Ca -0.00 -2.46 -0.00 0.00 1.00 0.00 0.00 64.86 63.40 2gas h ILE 20 Cb 0.84 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 39.46 2gas h ILE 20 CO 0.04 0.74 0.02 0.58 0.00 0.00 0.00 178.15 179.53 2gas h VAL 21 N 0.28 1.16 -0.70 1.67 2.07 -0.87 -0.53 116.25 119.33 2gas h VAL 21 Ca -0.13 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2gas h VAL 21 Cb 1.75 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 2gas h VAL 21 CO 0.20 0.14 0.31 -0.50 0.02 0.00 0.00 177.57 177.74 2gas h TRP 22 N -0.10 1.02 -0.33 1.57 6.55 -1.27 -1.54 115.95 121.84 2gas h TRP 22 Ca 0.02 -0.05 -0.10 0.00 0.95 0.00 0.00 58.89 59.71 2gas h TRP 22 Cb 0.20 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.17 2gas h TRP 22 CO -0.01 0.76 -0.20 0.00 -1.05 0.00 0.00 178.44 177.95 2gas h ALA 23 N 1.33 1.04 -0.33 1.49 0.00 -1.13 -1.13 119.26 120.54 2gas h ALA 23 Ca 0.24 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2gas h ALA 23 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2gas h ALA 23 CO -0.03 0.58 -0.02 1.03 0.00 0.00 0.00 179.25 180.81 2gas h SER 24 N 0.55 0.59 -0.34 0.00 0.87 -0.57 -1.90 113.55 112.75 2gas h SER 24 Ca 0.09 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 2gas h SER 24 Cb 0.64 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2gas h SER 24 CO 0.05 0.77 0.16 0.40 -0.53 0.00 0.00 176.83 177.68 2gas h ILE 25 N 0.39 1.16 -0.46 2.23 5.03 -1.12 -2.28 117.51 122.45 2gas h ILE 25 Ca 0.09 -0.46 -0.02 0.00 -0.12 0.00 0.00 64.86 64.35 2gas h ILE 25 Cb 0.49 0.84 -0.02 0.00 -3.03 0.00 0.00 36.82 35.09 2gas h ILE 25 CO 0.02 0.17 0.21 0.50 -0.68 0.00 0.00 178.15 178.38 2gas h LYS 26 N 0.42 0.65 0.00 2.37 3.64 -1.11 -1.74 116.57 120.79 2gas h LYS 26 Ca 0.12 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2gas h LYS 26 Cb 0.12 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2gas h LYS 26 CO -0.01 0.51 0.00 0.00 -2.27 0.00 0.00 179.45 177.68 2gas n ALA 27 N -2.46 1.95 -0.33 5.00 0.00 -0.72 -4.89 120.51 119.05 2gas n ALA 27 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2gas n ALA 27 Cb 0.13 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2gas n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gas n GLY 28 N 0.62 0.73 3.76 0.00 0.00 -0.65 -5.06 105.19 104.59 2gas n GLY 28 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2gas n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gas s ASN 29 N -2.62 7.12 0.04 1.61 -0.87 -0.88 -4.94 114.94 114.40 2gas s ASN 29 Ca 0.00 2.29 -0.30 0.00 -1.57 0.00 0.00 52.86 53.27 2gas s ASN 29 Cb 0.00 -2.62 -0.08 0.00 -0.02 0.00 0.00 41.25 38.53 2gas s ASN 29 CO 0.00 -0.25 1.71 -2.84 -2.57 0.00 0.00 177.10 173.15 2gas s PRO 30 N -1.65 4.18 -0.16 -0.60 0.02 -1.25 -4.51 135.00 131.03 2gas s PRO 30 Ca 0.47 2.36 -0.02 0.00 0.02 0.00 0.00 61.00 63.84 2gas s PRO 30 Cb -0.31 -3.76 -0.01 0.00 0.02 0.00 0.00 34.50 30.43 2gas s PRO 30 CO 0.40 -0.80 -0.09 0.99 -0.33 0.00 0.00 177.00 177.17 2gas s THR 31 N 3.21 3.26 0.01 0.99 2.01 -1.26 -1.76 115.64 122.10 2gas s THR 31 Ca 0.76 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.26 2gas s THR 31 Cb -0.39 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2gas s THR 31 CO 0.33 0.49 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.25 2gas s TYR 32 N 0.70 2.53 -0.06 4.92 1.51 0.65 -0.24 117.35 127.36 2gas s TYR 32 Ca -0.04 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2gas s TYR 32 Cb -0.15 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 2gas s TYR 32 CO 0.02 0.19 -0.14 0.00 -1.11 0.00 0.00 175.55 174.51 2gas s ALA 33 N -0.83 1.35 -0.37 3.71 0.00 0.51 -0.88 121.76 125.25 2gas s ALA 33 Ca 0.13 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.36 2gas s ALA 33 Cb -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2gas s ALA 33 CO 0.03 0.16 0.72 -1.17 0.00 0.00 0.00 175.76 175.51 2gas s LEU 34 N 0.47 4.20 -0.03 0.00 2.96 -0.93 -0.23 118.68 125.12 2gas s LEU 34 Ca -0.12 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2gas s LEU 34 Cb -0.14 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 2gas s LEU 34 CO 0.04 -0.69 0.11 -0.69 -1.32 0.00 0.00 176.35 173.79 2gas s VAL 35 N 2.96 4.97 0.58 1.68 1.01 -0.29 -4.46 120.40 126.84 2gas s VAL 35 Ca 0.28 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 2gas s VAL 35 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2gas s VAL 35 CO 0.16 0.41 1.32 -0.13 0.00 0.00 0.00 175.10 176.86 2gas s ARG 36 N -1.60 2.98 -0.22 2.72 0.52 -1.26 -1.43 118.95 120.67 2gas s ARG 36 Ca 0.22 2.13 -0.17 0.00 -0.52 0.00 0.00 55.73 57.39 2gas s ARG 36 Cb -0.12 -2.11 -0.18 0.00 0.52 0.00 0.00 34.95 33.06 2gas s ARG 36 CO 0.12 -1.28 0.04 1.17 0.02 0.00 0.00 175.30 175.37 2gas n LYS 37 N -1.31 0.60 -2.10 3.54 3.00 -1.26 -4.66 118.16 115.97 2gas n LYS 37 Ca 0.12 0.43 -0.33 0.00 -0.00 0.00 0.00 58.31 58.53 2gas n LYS 37 Cb 0.46 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.84 2gas n LYS 37 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2gas s THR 38 N -2.43 3.88 -0.27 3.15 -4.23 -1.26 -5.02 115.64 109.46 2gas s THR 38 Ca -0.31 0.90 -0.19 0.00 -1.18 0.00 0.00 61.69 60.91 2gas s THR 38 Cb 0.09 -3.42 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 2gas s THR 38 CO 0.58 -0.51 0.58 -0.63 -0.54 0.00 0.00 174.62 174.09 2gas s ILE 48 N -2.45 5.02 0.34 2.99 -1.09 -1.26 -5.06 121.20 119.68 2gas s ILE 48 Ca 0.63 0.96 0.04 0.00 -2.23 0.00 0.00 60.65 60.05 2gas s ILE 48 Cb -0.15 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2gas s ILE 48 CO 0.36 0.02 0.34 0.35 -1.23 0.00 0.00 174.94 174.78 2gas n THR 49 N 5.22 0.00 -0.48 2.92 -2.24 -1.26 -5.02 114.28 113.41 2gas n THR 49 Ca -0.02 -1.25 0.10 0.00 -2.27 0.00 0.00 64.05 60.61 2gas n THR 49 Cb 0.49 -0.41 0.35 0.00 -2.10 0.00 0.00 70.33 68.65 2gas n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gas n ALA 50 N -2.43 2.87 -0.67 6.98 0.00 -1.26 -5.00 120.51 121.00 2gas n ALA 50 Ca -0.10 -1.47 -0.31 0.00 0.00 0.00 0.00 53.44 51.57 2gas n ALA 50 Cb 0.37 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 18.99 2gas n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gas n ALA 51 N 1.29 -2.38 -1.82 0.00 0.00 -1.26 -4.84 120.51 111.49 2gas n ALA 51 Ca 0.25 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2gas n ALA 51 Cb 0.80 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 2gas n ALA 51 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2gas s ASN 52 N -2.25 5.69 0.17 0.00 2.47 -1.26 -4.89 114.94 114.87 2gas s ASN 52 Ca 0.62 1.56 -0.12 0.00 0.42 0.00 0.00 52.86 55.35 2gas s ASN 52 Cb -0.21 -2.52 0.08 0.00 -1.45 0.00 0.00 41.25 37.15 2gas s ASN 52 CO 0.64 -1.83 1.73 -0.65 -3.72 0.00 0.00 177.10 173.27 2gas h PRO 53 N 13.88 0.92 0.50 0.43 0.11 -1.98 -3.13 132.00 142.73 2gas h PRO 53 Ca -0.37 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2gas h PRO 53 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2gas h PRO 53 CO 1.00 0.79 -0.30 0.93 -0.21 0.00 0.00 178.00 180.21 2gas h GLU 54 N 0.85 -0.73 -0.18 1.05 5.08 -2.00 -1.55 114.58 117.10 2gas h GLU 54 Ca 0.20 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2gas h GLU 54 Cb 0.22 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2gas h GLU 54 CO -0.01 -0.49 0.09 1.15 -1.00 0.00 0.00 179.01 178.74 2gas h THR 55 N -0.76 1.13 0.04 1.13 2.02 -1.99 -1.98 112.91 112.50 2gas h THR 55 Ca -0.06 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.76 2gas h THR 55 Cb 0.62 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2gas h THR 55 CO 0.06 0.13 -0.13 0.50 0.37 0.00 0.00 175.52 176.45 2gas h LYS 56 N 0.16 -0.23 -0.64 6.66 3.64 -1.55 -1.22 116.57 123.40 2gas h LYS 56 Ca 0.06 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2gas h LYS 56 Cb 0.12 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2gas h LYS 56 CO -0.01 -0.15 0.23 0.93 -2.27 0.00 0.00 179.45 178.18 2gas h GLU 57 N -0.23 0.96 -0.17 1.90 5.08 -1.28 -0.65 114.58 120.19 2gas h GLU 57 Ca 0.03 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2gas h GLU 57 Cb 0.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2gas h GLU 57 CO -0.09 0.81 0.08 0.93 -1.00 0.00 0.00 179.01 179.74 2gas h GLU 58 N 0.94 0.18 -0.11 2.33 5.08 -1.03 -1.59 114.58 120.38 2gas h GLU 58 Ca 0.21 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2gas h GLU 58 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2gas h GLU 58 CO -0.01 0.12 0.02 -0.07 -1.00 0.00 0.00 179.01 178.07 2gas h LEU 59 N 0.18 0.17 -0.72 1.33 3.38 -0.91 -2.11 115.31 116.64 2gas h LEU 59 Ca 0.07 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2gas h LEU 59 Cb 0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2gas h LEU 59 CO -0.05 0.37 0.41 0.40 0.09 0.00 0.00 178.44 179.66 2gas h ILE 60 N -0.03 0.98 -0.44 1.22 2.04 -1.04 0.26 117.51 120.51 2gas h ILE 60 Ca 0.03 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2gas h ILE 60 Cb 0.26 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2gas h ILE 60 CO 0.00 0.14 0.24 0.44 0.00 0.00 0.00 178.15 178.97 2gas h ASP 61 N 0.75 0.54 -0.50 1.72 3.32 -1.22 -1.12 116.42 119.92 2gas h ASP 61 Ca 0.32 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2gas h ASP 61 Cb 0.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2gas h ASP 61 CO -0.18 0.47 0.29 -1.13 -1.72 0.00 0.00 179.24 176.97 2gas h ASN 62 N 0.57 0.61 -0.35 6.45 -0.73 -0.62 -1.91 115.58 119.59 2gas h ASN 62 Ca 0.15 -0.07 0.02 0.00 1.87 0.00 0.00 56.30 58.28 2gas h ASN 62 Cb 0.04 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.45 2gas h ASN 62 CO -0.03 0.50 0.18 1.88 -0.37 0.00 0.00 177.43 179.59 2gas h TYR 63 N 0.67 0.34 -0.60 0.67 0.99 -0.17 -1.98 116.97 116.89 2gas h TYR 63 Ca 0.18 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 2gas h TYR 63 Cb 0.01 -0.10 -0.03 0.00 1.00 0.00 0.00 36.73 37.61 2gas h TYR 63 CO -0.02 0.18 0.29 1.96 -0.00 0.00 0.00 178.16 180.57 2gas h GLN 64 N 0.37 0.85 0.00 4.88 4.20 -1.00 -0.48 115.11 123.93 2gas h GLN 64 Ca 0.14 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2gas h GLN 64 Cb 0.04 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 2gas h GLN 64 CO -0.09 0.66 -0.16 0.66 -0.67 0.00 0.00 178.83 179.22 2gas h SER 65 N 0.85 0.00 0.36 1.46 4.64 -0.78 -2.24 113.55 117.83 2gas h SER 65 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2gas h SER 65 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2gas h SER 65 CO -0.03 0.16 -0.31 0.18 -0.87 0.00 0.00 176.83 175.96 2gas n LEU 66 N -3.46 0.76 0.00 5.97 4.77 -0.50 -4.94 117.00 119.61 2gas n LEU 66 Ca -0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2gas n LEU 66 Cb 0.33 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2gas n LEU 66 CO 0.31 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2gas n GLY 67 N 1.39 0.91 3.74 -0.72 0.00 -0.84 -5.06 105.19 104.61 2gas n GLY 67 Ca 0.10 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2gas n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gas s VAL 68 N -2.00 3.47 -0.26 1.61 1.01 -0.31 -4.73 120.40 119.19 2gas s VAL 68 Ca 0.00 1.23 -0.20 0.00 0.00 0.00 0.00 61.98 63.02 2gas s VAL 68 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2gas s VAL 68 CO 0.00 0.20 0.60 -0.63 0.00 0.00 0.00 175.10 175.27 2gas s ILE 69 N -0.04 5.01 -0.16 2.22 -1.09 0.66 -4.46 121.20 123.34 2gas s ILE 69 Ca 0.54 1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 59.81 2gas s ILE 69 Cb -0.34 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 2gas s ILE 69 CO 0.37 0.04 0.62 -0.76 -1.23 0.00 0.00 174.94 173.98 2gas s LEU 70 N 2.45 4.20 -0.24 2.97 1.43 -1.26 -0.36 118.68 127.87 2gas s LEU 70 Ca 0.25 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2gas s LEU 70 Cb -0.16 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.19 2gas s LEU 70 CO 0.09 -0.19 -0.07 -0.76 0.23 0.00 0.00 176.35 175.64 2gas s LEU 71 N 1.44 3.12 0.15 1.79 1.43 0.69 -4.93 118.68 122.37 2gas s LEU 71 Ca 0.30 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 2gas s LEU 71 Cb -0.16 -1.64 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 2gas s LEU 71 CO 0.12 -0.12 1.24 -1.61 0.23 0.00 0.00 176.35 176.21 2gas s GLU 72 N 1.31 4.44 0.00 1.70 0.41 -1.26 -1.14 118.70 124.16 2gas s GLU 72 Ca 0.00 1.90 0.00 0.00 -0.41 0.00 0.00 54.97 56.46 2gas s GLU 72 Cb -0.17 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 2gas s GLU 72 CO -0.05 -0.19 0.00 0.41 -0.49 0.00 0.00 175.26 174.94 2gas n GLY 73 N 2.58 2.55 3.57 -1.39 0.00 -0.51 -4.91 105.19 107.07 2gas n GLY 73 Ca 0.06 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2gas n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gas s ASP 74 N 0.00 4.84 0.62 1.61 -0.00 -1.26 -4.03 116.67 118.44 2gas s ASP 74 Ca 0.00 -0.02 0.33 0.00 -0.00 0.00 0.00 52.55 52.86 2gas s ASP 74 Cb 0.00 -1.46 1.92 0.00 -0.00 0.00 0.00 42.92 43.38 2gas s ASP 74 CO 0.00 0.30 2.22 0.40 -0.00 0.00 0.00 175.17 178.08 2gas h ILE 75 N 4.55 0.33 -0.08 0.77 5.03 -1.99 0.20 117.51 126.33 2gas h ILE 75 Ca -0.43 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 2gas h ILE 75 Cb 1.18 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.90 2gas h ILE 75 CO 0.57 0.00 0.00 -3.20 -0.68 0.00 0.00 178.15 174.84 2gas n ASN 76 N -3.56 1.93 -4.10 1.72 5.15 -1.26 -4.51 115.26 110.62 2gas n ASN 76 Ca -0.02 -1.67 -0.37 0.00 -0.60 0.00 0.00 54.58 51.93 2gas n ASN 76 Cb 0.17 -0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 2gas n ASN 76 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2gas n ASP 77 N 0.50 4.41 -0.32 1.20 -0.08 0.70 -4.95 116.55 118.00 2gas n ASP 77 Ca 0.17 -3.15 0.01 0.00 -1.51 0.00 0.00 54.79 50.32 2gas n ASP 77 Cb 0.41 -1.08 0.06 0.00 2.34 0.00 0.00 41.12 42.84 2gas n ASP 77 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2gas n HIS 78 N 2.24 0.10 -0.26 -0.67 -0.00 -1.26 -0.63 115.22 114.74 2gas n HIS 78 Ca 0.22 1.03 0.04 0.00 -0.00 0.00 0.00 57.72 59.01 2gas n HIS 78 Cb 0.37 -0.86 0.17 0.00 -0.00 0.00 0.00 29.99 29.67 2gas n HIS 78 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2gas h GLU 79 N 0.00 0.50 0.00 1.57 4.81 -1.93 -0.69 114.58 118.84 2gas h GLU 79 Ca 0.32 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 2gas h GLU 79 Cb 0.53 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2gas h GLU 79 CO -0.84 0.33 -0.53 1.79 -0.73 0.00 0.00 179.01 179.03 2gas h THR 80 N 0.51 1.01 -0.12 0.32 1.35 -1.20 -2.98 112.91 111.82 2gas h THR 80 Ca 0.39 -2.14 -0.16 0.00 -0.55 0.00 0.00 66.41 63.96 2gas h THR 80 Cb 0.54 2.30 0.01 0.00 -1.73 0.00 0.00 68.15 69.26 2gas h THR 80 CO -0.35 0.52 -0.54 0.25 -0.25 0.00 0.00 175.52 175.16 2gas h LEU 81 N 0.00 0.68 -0.73 3.87 5.85 -0.32 -2.72 115.31 121.94 2gas h LEU 81 Ca -0.01 -0.63 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 2gas h LEU 81 Cb 1.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2gas h LEU 81 CO 0.07 1.20 0.19 0.58 -0.34 0.00 0.00 178.44 180.14 2gas h VAL 82 N 0.20 1.26 -0.82 1.05 2.07 -1.23 -0.51 116.25 118.27 2gas h VAL 82 Ca -0.03 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.55 2gas h VAL 82 Cb 1.17 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2gas h VAL 82 CO 0.11 0.37 0.53 0.50 0.02 0.00 0.00 177.57 179.11 2gas h LYS 83 N 1.10 1.01 -0.09 1.57 3.64 -1.52 -1.49 116.57 120.78 2gas h LYS 83 Ca 0.23 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2gas h LYS 83 Cb 0.36 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2gas h LYS 83 CO -0.00 0.67 -0.18 0.00 -2.27 0.00 0.00 179.45 177.67 2gas h ALA 84 N 1.34 0.15 -0.52 5.00 0.00 -1.15 -3.27 119.26 120.81 2gas h ALA 84 Ca 0.32 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2gas h ALA 84 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2gas h ALA 84 CO -0.11 0.08 0.35 0.82 0.00 0.00 0.00 179.25 180.39 2gas h ILE 85 N -0.16 1.02 0.00 0.00 1.08 -0.83 -1.75 117.51 116.87 2gas h ILE 85 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2gas h ILE 85 Cb 0.76 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2gas h ILE 85 CO 0.04 0.10 0.00 0.11 -0.69 0.00 0.00 178.15 177.71 2gas h LYS 86 N 0.53 0.00 -0.01 2.37 1.57 -1.32 -2.77 116.57 116.92 2gas h LYS 86 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2gas h LYS 86 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2gas h LYS 86 CO -0.06 0.00 -0.08 1.04 -0.57 0.00 0.00 179.45 179.79 2gas n GLN 87 N -2.44 1.47 -4.46 3.15 6.02 -0.66 -4.95 117.38 115.52 2gas n GLN 87 Ca 0.01 -0.89 -0.23 0.00 -0.01 0.00 0.00 57.00 55.87 2gas n GLN 87 Cb 0.20 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.89 2gas n GLN 87 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2gas s VAL 88 N -2.14 0.54 -0.08 5.09 -7.23 -1.05 -4.97 120.40 110.56 2gas s VAL 88 Ca 0.33 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2gas s VAL 88 Cb 0.20 -2.43 -0.08 0.00 0.56 0.00 0.00 36.38 34.64 2gas s VAL 88 CO 0.39 0.00 -0.00 0.47 -0.31 0.00 0.00 175.10 175.64 2gas n ASP 89 N -1.21 3.23 -4.15 4.85 9.92 -0.12 -4.68 116.55 124.40 2gas n ASP 89 Ca -0.03 -0.01 -0.29 0.00 -0.53 0.00 0.00 54.79 53.93 2gas n ASP 89 Cb 0.65 0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 41.42 2gas n ASP 89 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2gas s ILE 90 N -2.18 1.68 -0.16 0.53 1.01 -0.19 -0.11 121.20 121.79 2gas s ILE 90 Ca -0.06 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 2gas s ILE 90 Cb 0.02 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 2gas s ILE 90 CO 0.27 0.48 -0.14 -0.69 0.00 0.00 0.00 174.94 174.86 2gas s VAL 91 N 0.38 2.75 -0.17 2.92 1.01 -0.87 -0.20 120.40 126.22 2gas s VAL 91 Ca -0.15 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2gas s VAL 91 Cb -0.16 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.07 2gas s VAL 91 CO 0.06 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.85 2gas s ILE 92 N 0.83 1.95 -0.57 2.22 1.01 0.29 -0.63 121.20 126.29 2gas s ILE 92 Ca -0.05 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 2gas s ILE 92 Cb -0.15 -1.78 0.13 0.00 0.01 0.00 0.00 42.46 40.67 2gas s ILE 92 CO -0.00 0.52 0.56 0.00 0.00 0.00 0.00 174.94 176.02 2gas s ALA 94 N 1.76 3.46 -0.26 0.00 0.00 -0.36 -3.09 121.76 123.26 2gas s ALA 94 Ca 0.06 0.73 -0.35 0.00 0.00 0.00 0.00 51.96 52.39 2gas s ALA 94 Cb -0.27 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.23 2gas s ALA 94 CO 0.03 -0.65 2.04 0.00 0.00 0.00 0.00 175.76 177.18 2gas n ALA 95 N 4.74 0.88 -2.83 0.00 0.00 -1.26 -4.59 120.51 117.44 2gas n ALA 95 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2gas n ALA 95 Cb 0.46 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2gas n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gas n GLY 96 N 5.56 4.96 0.29 0.00 0.00 -1.26 -4.66 105.19 110.08 2gas n GLY 96 Ca 0.33 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.82 2gas n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2gas n ARG 97 N 0.00 1.39 -2.63 1.61 0.63 -1.26 -4.88 116.66 111.53 2gas n ARG 97 Ca 0.00 -0.58 -0.42 0.00 -0.92 0.00 0.00 57.85 55.94 2gas n ARG 97 Cb 0.00 -1.43 -0.03 0.00 0.45 0.00 0.00 32.46 31.45 2gas n ARG 97 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2gas s LEU 98 N -1.82 4.42 0.18 6.15 2.96 -1.26 -4.99 118.68 124.32 2gas s LEU 98 Ca 0.37 1.82 -0.32 0.00 -0.22 0.00 0.00 54.13 55.79 2gas s LEU 98 Cb 0.19 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.19 2gas s LEU 98 CO 0.30 -0.26 1.67 -0.76 -1.32 0.00 0.00 176.35 175.99 2gas s LEU 99 N 0.61 4.37 0.39 -0.68 1.43 -1.26 -4.86 118.68 118.68 2gas s LEU 99 Ca 0.52 2.76 0.14 0.00 -1.03 0.00 0.00 54.13 56.52 2gas s LEU 99 Cb -0.24 -3.59 0.97 0.00 0.03 0.00 0.00 46.19 43.35 2gas s LEU 99 CO 0.30 -0.92 1.86 0.40 0.23 0.00 0.00 176.35 178.22 2gas h ILE 100 N 3.97 0.74 0.00 -0.59 2.04 -1.96 -0.11 117.51 121.61 2gas h ILE 100 Ca -0.43 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 2gas h ILE 100 Cb 1.20 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2gas h ILE 100 CO 0.94 0.10 -0.32 -0.08 0.00 0.00 0.00 178.15 178.78 2gas h GLU 101 N 0.53 0.00 0.00 2.37 4.57 -1.93 -2.73 114.58 117.38 2gas h GLU 101 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 2gas h GLU 101 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2gas h GLU 101 CO -0.20 0.32 0.00 -0.25 -1.18 0.00 0.00 179.01 177.71 2gas n ASP 102 N -4.07 0.00 0.17 1.04 9.92 -0.05 -2.22 116.55 121.33 2gas n ASP 102 Ca -0.02 0.41 0.13 0.00 -0.53 0.00 0.00 54.79 54.78 2gas n ASP 102 Cb 0.37 -0.44 0.59 0.00 -0.64 0.00 0.00 41.12 41.00 2gas n ASP 102 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2gas h GLN 103 N 0.00 0.00 -0.26 -1.24 4.20 -1.60 -0.70 115.11 115.51 2gas h GLN 103 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2gas h GLN 103 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2gas h GLN 103 CO 0.00 0.00 -0.14 0.28 -0.67 0.00 0.00 178.83 178.30 2gas h VAL 104 N 0.00 1.23 -0.25 -0.54 2.07 -1.70 -0.03 116.25 117.03 2gas h VAL 104 Ca 0.00 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 2gas h VAL 104 Cb 0.24 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2gas h VAL 104 CO 0.00 0.33 -0.27 0.11 0.02 0.00 0.00 177.57 177.75 2gas h LYS 105 N 0.41 0.49 -0.26 1.57 1.57 -1.36 -0.74 116.57 118.25 2gas h LYS 105 Ca 0.08 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 2gas h LYS 105 Cb 0.49 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2gas h LYS 105 CO 0.03 0.72 -0.40 0.82 -0.57 0.00 0.00 179.45 180.05 2gas h ILE 106 N 0.43 1.30 -0.68 1.86 2.04 -1.33 -2.57 117.51 118.57 2gas h ILE 106 Ca 0.06 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 2gas h ILE 106 Cb 0.70 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2gas h ILE 106 CO 0.05 0.51 0.22 0.40 0.00 0.00 0.00 178.15 179.33 2gas h ILE 107 N 0.46 1.25 -0.76 -0.67 2.04 -0.80 0.59 117.51 119.62 2gas h ILE 107 Ca 0.02 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 2gas h ILE 107 Cb 0.99 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2gas h ILE 107 CO 0.09 0.33 0.37 0.50 0.00 0.00 0.00 178.15 179.45 2gas h LYS 108 N 0.98 1.09 -0.44 2.37 3.64 -1.12 -0.81 116.57 122.28 2gas h LYS 108 Ca 0.22 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 2gas h LYS 108 Cb 0.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2gas h LYS 108 CO -0.01 0.84 -0.16 0.00 -2.27 0.00 0.00 179.45 177.85 2gas h ALA 109 N 1.19 0.61 -0.31 5.00 0.00 -1.06 -2.13 119.26 122.56 2gas h ALA 109 Ca 0.26 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gas h ALA 109 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2gas h ALA 109 CO -0.03 0.55 0.19 0.82 0.00 0.00 0.00 179.25 180.77 2gas h ILE 110 N 0.71 1.10 -0.66 0.00 2.04 -0.56 -0.24 117.51 119.91 2gas h ILE 110 Ca 0.10 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2gas h ILE 110 Cb 0.72 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 2gas h ILE 110 CO 0.05 0.10 0.36 0.11 0.00 0.00 0.00 178.15 178.78 2gas h LYS 111 N 0.41 0.64 -0.47 2.37 1.79 -1.05 -0.11 116.57 120.14 2gas h LYS 111 Ca 0.11 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.42 2gas h LYS 111 Cb 0.00 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 2gas h LYS 111 CO -0.02 0.42 -0.22 1.49 -1.08 0.00 0.00 179.45 180.05 2gas h GLU 112 N 0.66 0.96 -0.44 3.15 4.81 -1.04 -2.90 114.58 119.77 2gas h GLU 112 Ca 0.30 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2gas h GLU 112 Cb 0.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2gas h GLU 112 CO -0.19 1.07 0.26 0.00 -0.73 0.00 0.00 179.01 179.42 2gas h ALA 113 N 0.92 0.57 0.00 2.92 0.00 -0.47 -3.46 119.26 119.73 2gas h ALA 113 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gas h ALA 113 Cb 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2gas h ALA 113 CO 0.06 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2gas n GLY 114 N -1.09 0.66 0.72 0.00 0.00 -0.11 -4.81 105.19 100.57 2gas n GLY 114 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 2gas n GLY 114 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gas n ASN 115 N 0.00 2.52 -4.70 1.61 6.94 -1.26 -5.00 115.26 115.37 2gas n ASN 115 Ca 0.00 -1.75 -0.42 0.00 -0.02 0.00 0.00 54.58 52.39 2gas n ASN 115 Cb 0.00 -0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.37 2gas n ASN 115 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2gas s VAL 116 N -1.44 3.65 -0.04 3.53 1.01 -1.26 -4.78 120.40 121.06 2gas s VAL 116 Ca 0.21 1.12 0.13 0.00 0.00 0.00 0.00 61.98 63.44 2gas s VAL 116 Cb 0.15 -3.72 -0.18 0.00 0.00 0.00 0.00 36.38 32.63 2gas s VAL 116 CO 0.22 0.04 0.87 0.11 0.00 0.00 0.00 175.10 176.35 2gas h LYS 117 N 7.31 0.00 -1.80 2.72 1.79 -0.85 -3.45 116.57 122.29 2gas h LYS 117 Ca -0.40 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.10 2gas h LYS 117 Cb 1.19 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.61 2gas h LYS 117 CO 0.87 0.53 0.25 0.21 -1.08 0.00 0.00 179.45 180.24 2gas s LYS 118 N -2.73 0.64 -0.10 3.15 2.20 -1.18 -4.72 119.74 116.99 2gas s LYS 118 Ca -0.03 0.87 0.04 0.00 -0.36 0.00 0.00 55.97 56.49 2gas s LYS 118 Cb 0.08 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 2gas s LYS 118 CO 0.81 -0.09 -0.24 0.12 -0.36 0.00 0.00 175.35 175.59 2gas s PHE 119 N 0.73 2.58 -0.43 4.03 5.36 0.40 -2.04 117.98 128.60 2gas s PHE 119 Ca -0.02 -1.06 -0.10 0.00 -0.96 0.00 0.00 56.93 54.78 2gas s PHE 119 Cb -0.05 -1.72 0.08 0.00 -0.34 0.00 0.00 43.02 40.99 2gas s PHE 119 CO -0.08 -0.43 0.29 -0.06 -1.46 0.00 0.00 175.22 173.48 2gas s PHE 120 N 0.38 3.32 0.97 10.12 0.40 0.20 -2.08 117.98 131.28 2gas s PHE 120 Ca -0.18 -1.44 -0.13 0.00 -0.60 0.00 0.00 56.93 54.58 2gas s PHE 120 Cb -0.18 -3.02 0.17 0.00 0.51 0.00 0.00 43.02 40.50 2gas s PHE 120 CO 0.08 -0.85 1.14 -1.25 0.70 0.00 0.00 175.22 175.04 2gas s PRO 121 N 1.46 0.69 -1.11 0.24 0.04 -1.26 -0.89 135.00 134.17 2gas s PRO 121 Ca 0.03 0.26 -0.23 0.00 0.04 0.00 0.00 61.00 61.10 2gas s PRO 121 Cb -0.23 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2gas s PRO 121 CO 0.03 -2.50 1.90 0.45 0.04 0.00 0.00 177.00 176.92 2gas s SER 122 N -3.93 5.27 0.00 6.66 0.15 -1.18 -4.64 113.70 116.03 2gas s SER 122 Ca 0.65 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2gas s SER 122 Cb -0.15 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2gas s SER 122 CO 0.55 -2.77 0.00 -0.62 1.20 0.00 0.00 173.24 171.60 2gas n GLU 123 N 8.47 0.00 -3.81 5.44 -0.58 -1.26 -4.86 120.64 124.04 2gas n GLU 123 Ca 0.43 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.91 2gas n GLU 123 Cb 0.47 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.37 2gas n GLU 123 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2gas n PHE 124 N 0.00 -2.19 -0.87 -0.32 3.01 0.17 -4.85 117.46 112.41 2gas n PHE 124 Ca 0.00 0.89 0.00 0.00 1.01 0.00 0.00 57.45 59.35 2gas n PHE 124 Cb 0.00 -4.21 0.00 0.00 -0.01 0.00 0.00 39.48 35.26 2gas n PHE 124 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gas n GLY 125 N -1.67 3.98 3.78 1.37 0.00 -1.25 -4.68 105.19 106.73 2gas n GLY 125 Ca -0.10 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2gas n GLY 125 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2gas s LEU 126 N 0.00 1.87 -0.55 0.99 2.34 -1.26 -0.71 118.68 121.35 2gas s LEU 126 Ca 0.00 0.65 -0.26 0.00 0.06 0.00 0.00 54.13 54.57 2gas s LEU 126 Cb 0.00 -2.71 0.03 0.00 -0.56 0.00 0.00 46.19 42.95 2gas s LEU 126 CO 0.00 -3.05 1.05 -0.62 -1.06 0.00 0.00 176.35 172.68 2gas s ASP 127 N -4.27 6.41 0.00 1.48 -1.08 -1.26 -4.86 116.67 113.09 2gas s ASP 127 Ca 0.69 -0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.71 2gas s ASP 127 Cb -0.10 -2.49 0.37 0.00 -1.46 0.00 0.00 42.92 39.24 2gas s ASP 127 CO 0.54 -1.32 1.13 1.33 0.52 0.00 0.00 175.17 177.36 2gas n VAL 128 N 6.44 0.96 1.20 1.11 0.24 -1.26 -0.53 118.33 126.49 2gas n VAL 128 Ca 0.05 0.24 0.13 0.00 -2.04 0.00 0.00 64.34 62.72 2gas n VAL 128 Cb 0.48 -1.11 0.26 0.00 -1.47 0.00 0.00 33.84 32.00 2gas n VAL 128 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2gas n ASP 129 N -1.32 2.06 -3.23 -1.34 10.43 -1.26 -4.48 116.55 117.40 2gas n ASP 129 Ca 0.03 -1.59 -0.24 0.00 2.57 0.00 0.00 54.79 55.56 2gas n ASP 129 Cb 0.06 0.10 -0.06 0.00 1.84 0.00 0.00 41.12 43.06 2gas n ASP 129 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2gas n ARG 130 N 0.45 1.37 -4.02 -1.24 1.74 0.31 -5.10 116.66 110.17 2gas n ARG 130 Ca 0.15 -3.72 -0.09 0.00 -0.77 0.00 0.00 57.85 53.42 2gas n ARG 130 Cb 0.46 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.20 2gas n ARG 130 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2gas s HIS 131 N -1.84 0.50 -0.27 -1.55 -3.43 -1.26 -4.74 115.29 102.70 2gas s HIS 131 Ca 0.38 -0.92 0.21 0.00 -0.80 0.00 0.00 55.06 53.93 2gas s HIS 131 Cb 0.20 -0.24 0.50 0.00 -1.43 0.00 0.00 32.58 31.61 2gas s HIS 131 CO -0.08 -0.57 1.10 -0.25 -2.00 0.00 0.00 174.74 172.94 2gas n ASP 132 N -0.09 1.89 -4.82 7.38 8.00 -1.26 -5.12 116.55 122.52 2gas n ASP 132 Ca -0.09 -2.25 -0.31 0.00 0.71 0.00 0.00 54.79 52.84 2gas n ASP 132 Cb 0.63 -0.47 0.04 0.00 -0.02 0.00 0.00 41.12 41.29 2gas n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gas s ALA 133 N -3.73 2.74 0.38 2.24 0.00 -1.26 -4.95 121.76 117.19 2gas s ALA 133 Ca 0.29 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.45 2gas s ALA 133 Cb 0.34 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 2gas s ALA 133 CO -0.03 -1.08 0.35 0.14 0.00 0.00 0.00 175.76 175.14 2gas s VAL 134 N -2.96 3.04 0.66 0.00 -7.23 -1.26 -4.61 120.40 108.04 2gas s VAL 134 Ca 0.59 -1.35 -0.15 0.00 -1.81 0.00 0.00 61.98 59.26 2gas s VAL 134 Cb -0.14 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2gas s VAL 134 CO 0.51 -0.08 1.13 -1.61 -0.31 0.00 0.00 175.10 174.75 2gas s GLU 135 N -4.08 2.74 0.00 4.82 0.41 -1.26 -1.64 118.70 119.70 2gas s GLU 135 Ca 0.45 1.46 0.30 0.00 -0.41 0.00 0.00 54.97 56.77 2gas s GLU 135 Cb -0.05 -1.94 1.42 0.00 -1.78 0.00 0.00 34.13 31.79 2gas s GLU 135 CO 0.27 -1.31 1.96 -0.35 -0.49 0.00 0.00 175.26 175.34 2gas n PRO 136 N -2.38 1.21 0.12 0.39 -0.04 -1.26 -4.82 135.00 128.21 2gas n PRO 136 Ca 0.11 -0.44 -0.01 0.00 -0.04 0.00 0.00 63.50 63.12 2gas n PRO 136 Cb 0.52 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 2gas n PRO 136 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2gas h VAL 137 N 1.07 1.31 -0.57 0.52 3.04 -1.80 -3.29 116.25 116.53 2gas h VAL 137 Ca 0.00 -2.51 0.09 0.00 -1.01 0.00 0.00 66.70 63.27 2gas h VAL 137 Cb 0.27 2.43 -0.07 0.00 -2.01 0.00 0.00 31.29 31.91 2gas h VAL 137 CO 0.00 0.67 0.17 -0.09 -1.01 0.00 0.00 177.57 177.31 2gas h ARG 138 N 0.00 0.31 -0.66 4.17 2.43 -1.56 -1.13 114.38 117.93 2gas h ARG 138 Ca -0.01 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2gas h ARG 138 Cb 1.37 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 2gas h ARG 138 CO 0.09 0.21 0.44 0.37 -1.51 0.00 0.00 179.97 179.56 2gas h GLN 139 N 0.32 0.65 -0.32 0.20 4.15 -1.86 -0.48 115.11 117.78 2gas h GLN 139 Ca 0.29 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.58 2gas h GLN 139 Cb 0.38 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2gas h GLN 139 CO -0.33 0.43 -0.16 0.28 -1.93 0.00 0.00 178.83 177.12 2gas h VAL 140 N 0.67 1.29 -0.61 2.39 2.07 -1.36 -1.81 116.25 118.89 2gas h VAL 140 Ca 0.29 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 2gas h VAL 140 Cb 0.27 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2gas h VAL 140 CO -0.09 0.41 0.10 -0.26 0.02 0.00 0.00 177.57 177.75 2gas h PHE 141 N 0.43 1.07 -0.16 1.57 0.05 -0.89 -2.67 116.94 116.34 2gas h PHE 141 Ca 0.07 -0.15 -0.07 0.00 3.82 0.00 0.00 57.97 61.64 2gas h PHE 141 Cb 0.70 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 38.34 2gas h PHE 141 CO 0.06 0.92 -0.21 0.93 -0.18 0.00 0.00 178.31 179.83 2gas h GLU 142 N 0.91 0.28 -0.40 1.51 4.39 -1.03 -1.23 114.58 119.01 2gas h GLU 142 Ca 0.18 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2gas h GLU 142 Cb 0.43 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2gas h GLU 142 CO 0.01 0.49 0.15 0.93 -1.16 0.00 0.00 179.01 179.43 2gas h GLU 143 N 0.26 0.60 -0.61 2.33 5.08 -1.01 -1.22 114.58 120.01 2gas h GLU 143 Ca 0.04 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2gas h GLU 143 Cb 0.53 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2gas h GLU 143 CO 0.04 0.58 0.12 0.87 -1.00 0.00 0.00 179.01 179.61 2gas h LYS 144 N 0.49 0.97 -0.59 2.33 1.57 -1.13 -2.48 116.57 117.74 2gas h LYS 144 Ca 0.13 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2gas h LYS 144 Cb 0.21 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2gas h LYS 144 CO -0.01 0.88 0.15 0.00 -0.57 0.00 0.00 179.45 179.90 2gas h ALA 145 N 1.20 1.16 -0.80 3.86 0.00 -0.96 -1.88 119.26 121.84 2gas h ALA 145 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gas h ALA 145 Cb 0.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2gas h ALA 145 CO 0.01 0.57 0.36 0.77 0.00 0.00 0.00 179.25 180.96 2gas h SER 146 N 0.87 1.06 -0.45 0.00 0.02 -0.80 -1.17 113.55 113.08 2gas h SER 146 Ca 0.19 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2gas h SER 146 Cb 0.31 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2gas h SER 146 CO -0.00 0.91 0.08 0.40 -1.14 0.00 0.00 176.83 177.07 2gas h ILE 147 N 1.14 1.23 -0.65 3.27 5.03 -1.05 -1.39 117.51 125.09 2gas h ILE 147 Ca 0.27 -0.88 -0.01 0.00 -0.12 0.00 0.00 64.86 64.12 2gas h ILE 147 Cb 0.15 0.75 -0.03 0.00 -3.03 0.00 0.00 36.82 34.66 2gas h ILE 147 CO -0.03 0.32 0.36 0.03 -0.68 0.00 0.00 178.15 178.15 2gas h ARG 148 N 0.77 0.91 -0.48 2.37 3.08 -0.47 -0.28 114.38 120.27 2gas h ARG 148 Ca 0.16 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 2gas h ARG 148 Cb 0.35 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2gas h ARG 148 CO 0.01 0.68 -0.07 0.00 -1.07 0.00 0.00 179.97 179.52 2gas h ARG 149 N 0.89 0.86 -0.20 0.04 2.47 -0.77 -0.57 114.38 117.10 2gas h ARG 149 Ca 0.23 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2gas h ARG 149 Cb 0.04 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2gas h ARG 149 CO -0.04 0.91 0.04 0.28 0.56 0.00 0.00 179.97 181.72 2gas h VAL 150 N 0.78 1.22 -0.21 2.04 2.07 -0.93 -0.06 116.25 121.16 2gas h VAL 150 Ca 0.14 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2gas h VAL 150 Cb 0.57 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2gas h VAL 150 CO 0.04 0.22 -0.08 0.40 0.02 0.00 0.00 177.57 178.17 2gas h ILE 151 N 0.14 0.73 -0.39 4.57 1.08 -0.79 -0.15 117.51 122.71 2gas h ILE 151 Ca 0.06 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.49 2gas h ILE 151 Cb 0.30 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 2gas h ILE 151 CO 0.00 0.00 0.07 -0.33 -0.69 0.00 0.00 178.15 177.20 2gas h GLU 152 N -0.04 0.64 -0.42 2.37 5.08 -1.01 -1.77 114.58 119.44 2gas h GLU 152 Ca 0.11 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2gas h GLU 152 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2gas h GLU 152 CO -0.24 0.69 -0.02 0.00 -1.00 0.00 0.00 179.01 178.44 2gas h ALA 153 N 0.92 1.18 -0.06 3.43 0.00 -0.81 -2.35 119.26 121.57 2gas h ALA 153 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2gas h ALA 153 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2gas h ALA 153 CO 0.01 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.18 2gas n GLU 154 N -4.22 1.29 -1.77 0.00 -0.58 -0.08 -4.93 120.64 110.34 2gas n GLU 154 Ca 0.02 -0.43 -0.17 0.00 -0.42 0.00 0.00 57.16 56.16 2gas n GLU 154 Cb 0.29 -1.34 -0.05 0.00 -0.57 0.00 0.00 31.44 29.78 2gas n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gas n GLY 155 N 0.93 1.01 3.70 0.62 0.00 -0.88 -4.98 105.19 105.58 2gas n GLY 155 Ca 0.15 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2gas n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gas s VAL 156 N -2.70 4.57 0.27 1.61 1.01 -0.70 -4.99 120.40 119.47 2gas s VAL 156 Ca 0.00 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 2gas s VAL 156 Cb 0.00 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.09 2gas s VAL 156 CO 0.00 0.07 1.49 -2.16 0.00 0.00 0.00 175.10 174.50 2gas s PRO 157 N 1.60 4.21 0.21 2.72 0.04 -1.26 -4.69 135.00 137.84 2gas s PRO 157 Ca 0.53 2.40 -0.07 0.00 0.04 0.00 0.00 61.00 63.91 2gas s PRO 157 Cb -0.22 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 2gas s PRO 157 CO 0.24 -0.49 0.29 1.52 0.04 0.00 0.00 177.00 178.59 2gas s TYR 158 N -0.08 0.76 -0.16 0.56 1.13 -1.26 -0.46 117.35 117.84 2gas s TYR 158 Ca 0.60 -1.05 -0.07 0.00 -1.41 0.00 0.00 57.07 55.14 2gas s TYR 158 Cb -0.44 -0.21 0.07 0.00 -1.10 0.00 0.00 41.96 40.28 2gas s TYR 158 CO 0.46 -0.79 0.36 0.99 -2.51 0.00 0.00 175.55 174.06 2gas s THR 159 N -4.08 -0.28 -0.36 -3.49 2.01 -0.88 0.71 115.64 109.25 2gas s THR 159 Ca 0.30 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 2gas s THR 159 Cb 0.04 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.99 2gas s THR 159 CO 0.10 0.07 0.23 -0.31 -0.69 0.00 0.00 174.62 174.01 2gas s TYR 160 N 1.93 3.22 -0.60 4.92 4.12 -0.72 -4.13 117.35 126.10 2gas s TYR 160 Ca -0.05 -0.59 -0.22 0.00 0.02 0.00 0.00 57.07 56.23 2gas s TYR 160 Cb -0.10 -2.47 0.07 0.00 -1.52 0.00 0.00 41.96 37.93 2gas s TYR 160 CO -0.11 -0.52 0.87 -1.17 0.02 0.00 0.00 175.55 174.64 2gas s LEU 161 N 1.64 4.58 -0.75 -1.29 1.98 -1.26 -0.26 118.68 123.32 2gas s LEU 161 Ca 0.04 -0.92 -0.14 0.00 -2.89 0.00 0.00 54.13 50.23 2gas s LEU 161 Cb -0.18 -2.49 0.20 0.00 0.66 0.00 0.00 46.19 44.38 2gas s LEU 161 CO 0.08 -1.26 0.69 0.00 -1.89 0.00 0.00 176.35 173.97 2gas n HIS 164 N 0.98 0.00 -2.90 0.00 8.25 0.11 -4.61 115.22 117.05 2gas n HIS 164 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 2gas n HIS 164 Cb 0.51 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 2gas n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gas s ALA 165 N -1.79 3.48 0.22 -1.41 0.00 -0.48 -4.48 121.76 117.29 2gas s ALA 165 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 2gas s ALA 165 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 2gas s ALA 165 CO 0.00 -1.37 1.28 -0.06 0.00 0.00 0.00 175.76 175.61 2gas s PHE 166 N 3.14 3.28 0.25 0.00 0.08 -1.26 -1.60 117.98 121.86 2gas s PHE 166 Ca 0.34 1.30 -0.06 0.00 0.12 0.00 0.00 56.93 58.63 2gas s PHE 166 Cb -0.13 -3.57 0.27 0.00 -0.57 0.00 0.00 43.02 39.02 2gas s PHE 166 CO 0.15 -1.71 1.91 1.79 -0.10 0.00 0.00 175.22 177.26 2gas h THR 167 N 3.63 1.25 0.00 0.64 1.35 -1.41 -0.68 112.91 117.70 2gas h THR 167 Ca -0.45 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2gas h THR 167 Cb 1.22 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2gas h THR 167 CO 0.75 0.26 0.00 1.23 -0.25 0.00 0.00 175.52 177.51 2gas h GLY 168 N 1.31 0.00 0.00 5.82 0.00 -1.91 -0.37 103.07 107.92 2gas h GLY 168 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.44 2gas h GLY 168 CO -0.07 0.00 -1.88 2.98 0.00 0.00 0.00 176.54 177.57 2gas n TYR 169 N -2.48 0.00 -0.06 5.60 4.19 -0.91 -4.66 117.16 118.85 2gas n TYR 169 Ca 0.01 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.14 2gas n TYR 169 Cb 0.21 -0.62 -0.06 0.00 0.49 0.00 0.00 39.34 39.37 2gas n TYR 169 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 2gas n PHE 170 N -2.71 0.00 0.11 2.98 3.01 -0.31 -4.76 117.46 115.78 2gas n PHE 170 Ca -0.24 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.01 2gas n PHE 170 Cb 0.86 -0.46 -0.13 0.00 -0.01 0.00 0.00 39.48 39.73 2gas n PHE 170 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2gas h LEU 171 N 0.00 0.72 -1.02 4.37 6.46 -1.46 -2.21 115.31 122.16 2gas h LEU 171 Ca -0.26 -0.72 0.24 0.00 -0.12 0.00 0.00 57.88 57.02 2gas h LEU 171 Cb 1.43 -0.23 -0.12 0.00 -0.73 0.00 0.00 40.66 41.01 2gas h LEU 171 CO -0.04 1.54 0.60 -0.09 -0.62 0.00 0.00 178.44 179.84 2gas h ARG 172 N 0.17 0.57 -0.14 1.25 2.43 -1.36 -1.75 114.38 115.56 2gas h ARG 172 Ca -0.19 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2gas h ARG 172 Cb 1.99 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 31.41 2gas h ARG 172 CO 0.24 0.38 -0.00 0.27 -1.51 0.00 0.00 179.97 179.34 2gas n ASN 173 N -4.86 3.15 -3.28 -3.80 2.04 -1.26 -1.88 115.26 105.38 2gas n ASN 173 Ca 0.27 -3.07 -0.23 0.00 -0.44 0.00 0.00 54.58 51.11 2gas n ASN 173 Cb 0.74 -0.49 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 2gas n ASN 173 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2gas n LEU 174 N -0.95 -1.70 -3.86 -4.53 4.32 -0.66 -1.73 117.00 107.89 2gas n LEU 174 Ca 0.19 -0.35 -0.29 0.00 -0.02 0.00 0.00 56.01 55.54 2gas n LEU 174 Cb 0.78 -2.25 0.04 0.00 -1.62 0.00 0.00 43.42 40.37 2gas n LEU 174 CO 0.09 0.16 0.13 0.00 -1.22 0.00 0.00 177.39 176.54 2gas n ALA 175 N -3.48 -1.32 -2.80 -1.18 0.00 -0.84 -4.96 120.51 105.94 2gas n ALA 175 Ca -0.03 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 2gas n ALA 175 Cb 0.56 -4.57 -0.08 0.00 0.00 0.00 0.00 19.45 15.36 2gas n ALA 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gas s GLN 176 N -6.55 3.73 0.54 0.00 -1.52 -0.71 -5.02 119.66 110.13 2gas s GLN 176 Ca 0.63 -0.22 -0.20 0.00 -1.95 0.00 0.00 55.36 53.61 2gas s GLN 176 Cb -0.31 -3.23 -0.05 0.00 -0.22 0.00 0.00 33.01 29.20 2gas s GLN 176 CO 0.81 0.53 1.20 -0.51 -0.25 0.00 0.00 175.29 177.07 2gas s LEU 177 N -0.33 3.79 -1.43 2.90 1.43 -1.26 -3.80 118.68 119.98 2gas s LEU 177 Ca 0.10 2.37 -0.05 0.00 -1.03 0.00 0.00 54.13 55.52 2gas s LEU 177 Cb -0.12 -4.47 0.04 0.00 0.03 0.00 0.00 46.19 41.67 2gas s LEU 177 CO 0.01 -1.34 0.69 0.47 0.23 0.00 0.00 176.35 176.41 2gas n ASP 178 N -1.18 -1.99 -3.70 2.29 8.00 -1.26 -4.99 116.55 113.72 2gas n ASP 178 Ca 0.11 -0.88 -0.14 0.00 0.71 0.00 0.00 54.79 54.59 2gas n ASP 178 Cb 0.49 -3.60 -0.08 0.00 -0.02 0.00 0.00 41.12 37.91 2gas n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gas s ALA 179 N -3.63 -1.09 -0.22 2.24 0.00 -1.25 -5.08 121.76 112.73 2gas s ALA 179 Ca 0.23 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.06 2gas s ALA 179 Cb -0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 23.12 22.65 2gas s ALA 179 CO 0.85 -0.27 -0.15 2.41 0.00 0.00 0.00 175.76 178.60 2gas n THR 180 N 1.67 1.29 -4.13 0.00 -1.04 -1.26 -4.83 114.28 105.98 2gas n THR 180 Ca -0.19 -0.55 -0.26 0.00 -2.04 0.00 0.00 64.05 61.02 2gas n THR 180 Cb 0.56 -1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 67.86 2gas n THR 180 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2gas s ASP 181 N -6.02 4.47 0.57 8.00 1.01 -1.26 -4.01 116.67 119.42 2gas s ASP 181 Ca -0.27 -1.18 -0.20 0.00 0.71 0.00 0.00 52.55 51.61 2gas s ASP 181 Cb 0.07 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 2gas s ASP 181 CO 0.56 -0.73 1.27 -2.84 0.21 0.00 0.00 175.17 173.64 2gas s PRO 182 N -4.01 3.06 0.48 8.23 0.02 -0.79 -4.56 135.00 137.44 2gas s PRO 182 Ca 0.35 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 63.18 2gas s PRO 182 Cb 0.02 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 2gas s PRO 182 CO 0.20 -1.18 1.01 -1.25 -0.33 0.00 0.00 177.00 175.44 2gas s PRO 183 N -3.11 3.89 0.00 5.54 0.04 -1.26 -4.98 135.00 135.12 2gas s PRO 183 Ca 0.75 1.22 0.06 0.00 0.04 0.00 0.00 61.00 63.07 2gas s PRO 183 Cb -0.35 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.09 2gas s PRO 183 CO 0.39 -0.34 0.57 0.54 0.04 0.00 0.00 177.00 178.21 2gas n ARG 184 N -1.07 1.39 0.00 4.56 1.74 -1.26 -4.85 116.66 117.17 2gas n ARG 184 Ca 0.08 -0.63 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 2gas n ARG 184 Cb 0.53 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 2gas n ARG 184 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gas n ASP 185 N -0.07 0.02 -4.08 0.55 8.00 -1.26 -4.91 116.55 114.80 2gas n ASP 185 Ca 0.03 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.39 2gas n ASP 185 Cb 0.14 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.12 2gas n ASP 185 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2gas s LYS 186 N -2.00 0.59 -0.05 -1.24 1.02 -1.26 -1.13 119.74 115.66 2gas s LYS 186 Ca 0.00 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.16 2gas s LYS 186 Cb 0.00 -0.41 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 2gas s LYS 186 CO 0.00 0.08 0.15 0.54 -0.92 0.00 0.00 175.35 175.20 2gas s VAL 187 N -1.30 0.01 -0.13 3.17 0.11 -0.07 -4.80 120.40 117.39 2gas s VAL 187 Ca -0.08 -0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 2gas s VAL 187 Cb -0.10 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2gas s VAL 187 CO 0.01 -0.03 0.10 0.54 -3.33 0.00 0.00 175.10 172.38 2gas s VAL 188 N -0.04 5.15 -0.09 2.04 0.11 -1.26 -1.08 120.40 125.23 2gas s VAL 188 Ca -0.01 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2gas s VAL 188 Cb -0.02 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2gas s VAL 188 CO 0.00 0.57 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.51 2gas s ILE 189 N -0.65 1.78 -0.10 7.04 -1.09 0.84 -4.92 121.20 124.11 2gas s ILE 189 Ca 0.12 -0.86 -0.24 0.00 -2.23 0.00 0.00 60.65 57.44 2gas s ILE 189 Cb -0.12 -1.55 -0.03 0.00 -1.58 0.00 0.00 42.46 39.18 2gas s ILE 189 CO 0.02 0.50 0.72 -0.76 -1.23 0.00 0.00 174.94 174.19 2gas s LEU 190 N 0.39 4.27 0.00 2.97 1.43 -1.26 -1.07 118.68 125.41 2gas s LEU 190 Ca -0.16 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 2gas s LEU 190 Cb -0.17 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.95 2gas s LEU 190 CO 0.07 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2gas n GLY 191 N 3.26 0.32 0.20 -3.19 0.00 0.54 -3.73 105.19 102.59 2gas n GLY 191 Ca -0.00 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.38 2gas n GLY 191 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gas n ASP 192 N 6.66 1.20 0.00 1.61 3.85 -1.26 -4.35 116.55 124.25 2gas n ASP 192 Ca 0.00 -1.10 0.00 0.00 -0.71 0.00 0.00 54.79 52.98 2gas n ASP 192 Cb 0.00 0.71 0.00 0.00 -1.35 0.00 0.00 41.12 40.48 2gas n ASP 192 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gas n GLY 193 N 1.23 0.33 1.22 6.12 0.00 -1.24 -4.89 105.19 107.96 2gas n GLY 193 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2gas n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gas n ASN 194 N -0.35 2.53 -4.37 1.61 3.02 -1.26 -1.11 115.26 115.33 2gas n ASN 194 Ca 0.00 -3.80 -0.35 0.00 -0.03 0.00 0.00 54.58 50.40 2gas n ASN 194 Cb 0.17 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 2gas n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gas s VAL 195 N -3.29 3.60 0.33 2.41 1.01 -1.26 -4.97 120.40 118.24 2gas s VAL 195 Ca 0.45 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 2gas s VAL 195 Cb 0.41 -2.63 -0.11 0.00 0.00 0.00 0.00 36.38 34.06 2gas s VAL 195 CO -0.00 0.43 1.46 -0.54 0.00 0.00 0.00 175.10 176.45 2gas s LYS 196 N 1.19 4.18 0.21 2.72 -0.14 -1.26 -4.00 119.74 122.65 2gas s LYS 196 Ca 0.03 2.46 0.09 0.00 -1.36 0.00 0.00 55.97 57.19 2gas s LYS 196 Cb -0.14 -3.02 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 2gas s LYS 196 CO -0.00 -0.47 -0.17 0.20 -0.76 0.00 0.00 175.35 174.15 2gas s GLY 197 N -0.02 1.54 -0.17 -3.33 0.00 -0.02 -4.52 107.32 100.79 2gas s GLY 197 Ca 0.55 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.61 2gas s GLY 197 CO 0.55 -1.75 -0.20 0.00 0.00 0.00 0.00 173.10 171.70 2gas s ALA 198 N -2.59 2.32 0.04 3.20 0.00 -1.26 -1.04 121.76 122.44 2gas s ALA 198 Ca 0.23 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.05 2gas s ALA 198 Cb -0.03 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 2gas s ALA 198 CO 0.09 -0.29 -0.16 0.71 0.00 0.00 0.00 175.76 176.11 2gas s TYR 199 N 1.21 2.62 -0.13 0.00 1.51 -0.92 -1.38 117.35 120.26 2gas s TYR 199 Ca 0.03 -0.21 -0.19 0.00 -1.01 0.00 0.00 57.07 55.69 2gas s TYR 199 Cb -0.13 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.28 2gas s TYR 199 CO -0.11 0.29 0.49 0.54 -1.11 0.00 0.00 175.55 175.65 2gas s VAL 200 N -0.97 0.01 0.58 0.71 0.11 -0.63 -4.73 120.40 115.49 2gas s VAL 200 Ca 0.16 -0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.96 2gas s VAL 200 Cb -0.11 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2gas s VAL 200 CO 0.07 -0.05 1.04 0.42 -3.33 0.00 0.00 175.10 173.24 2gas s THR 201 N -0.26 4.03 0.32 5.04 -4.23 -1.26 -1.00 115.64 118.27 2gas s THR 201 Ca -0.04 0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2gas s THR 201 Cb -0.03 -3.48 0.25 0.00 1.34 0.00 0.00 72.50 70.58 2gas s THR 201 CO 0.03 -0.60 1.97 -0.33 -0.54 0.00 0.00 174.62 175.15 2gas h GLU 202 N 0.42 0.95 -0.70 3.99 3.07 -1.96 -1.17 114.58 119.18 2gas h GLU 202 Ca -0.46 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.29 2gas h GLU 202 Cb 1.21 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 2gas h GLU 202 CO 0.58 0.65 0.28 0.00 -1.40 0.00 0.00 179.01 179.12 2gas h ALA 203 N 1.52 0.92 -0.05 3.43 0.00 -1.94 -2.22 119.26 120.92 2gas h ALA 203 Ca 0.26 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2gas h ALA 203 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2gas h ALA 203 CO -0.05 0.54 -0.54 -0.44 0.00 0.00 0.00 179.25 178.76 2gas h ASP 204 N 1.01 0.15 -0.60 0.00 3.45 -1.78 -2.37 116.42 116.27 2gas h ASP 204 Ca 0.23 -0.08 -0.06 0.00 0.43 0.00 0.00 57.03 57.56 2gas h ASP 204 Cb 0.21 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.91 2gas h ASP 204 CO -0.02 0.66 0.15 0.58 -1.57 0.00 0.00 179.24 179.04 2gas h VAL 205 N 0.11 1.25 -0.40 -1.35 2.07 -0.86 0.67 116.25 117.72 2gas h VAL 205 Ca -0.00 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2gas h VAL 205 Cb 0.98 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2gas h VAL 205 CO 0.08 0.34 0.22 1.23 0.02 0.00 0.00 177.57 179.46 2gas h GLY 206 N 1.04 0.60 0.99 2.17 0.00 -1.06 0.93 103.07 107.74 2gas h GLY 206 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2gas h GLY 206 CO -0.00 0.26 0.18 -0.84 0.00 0.00 0.00 176.54 176.14 2gas h THR 207 N 0.52 1.09 -0.10 4.70 2.02 -0.89 -2.06 112.91 118.18 2gas h THR 207 Ca 0.14 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 2gas h THR 207 Cb 0.05 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2gas h THR 207 CO -0.02 0.09 -0.39 -0.26 0.37 0.00 0.00 175.52 175.30 2gas h PHE 208 N 0.38 0.26 -0.38 3.16 -1.00 -0.72 -1.33 116.94 117.30 2gas h PHE 208 Ca 0.10 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 2gas h PHE 208 Cb -0.02 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 2gas h PHE 208 CO -0.05 0.59 0.15 1.15 -1.61 0.00 0.00 178.31 178.53 2gas h THR 209 N 0.19 1.20 -0.16 -1.55 2.02 -0.43 -0.65 112.91 113.53 2gas h THR 209 Ca 0.02 -0.62 -0.16 0.00 0.77 0.00 0.00 66.41 66.43 2gas h THR 209 Cb 0.78 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2gas h THR 209 CO 0.06 0.22 -0.57 0.40 0.37 0.00 0.00 175.52 176.00 2gas h ILE 210 N 0.47 1.33 -0.50 3.11 1.08 -1.27 0.09 117.51 121.82 2gas h ILE 210 Ca 0.13 -1.84 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 2gas h ILE 210 Cb 0.20 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 2gas h ILE 210 CO -0.01 0.57 0.33 -0.09 -0.69 0.00 0.00 178.15 178.26 2gas h ARG 211 N 0.37 0.66 -0.30 2.37 1.12 -1.03 -1.25 114.38 116.32 2gas h ARG 211 Ca 0.00 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.71 2gas h ARG 211 Cb 1.10 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.90 2gas h ARG 211 CO 0.10 0.44 -0.31 0.00 -3.11 0.00 0.00 179.97 177.09 2gas h ALA 212 N 1.18 0.88 -0.68 2.80 0.00 -0.90 -2.63 119.26 119.92 2gas h ALA 212 Ca 0.18 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2gas h ALA 212 Cb -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2gas h ALA 212 CO -0.04 0.63 0.36 0.00 0.00 0.00 0.00 179.25 180.20 2gas h ALA 213 N 1.10 1.36 -0.01 0.00 0.00 -0.37 -2.32 119.26 119.03 2gas h ALA 213 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gas h ALA 213 Cb 0.81 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2gas h ALA 213 CO 0.07 0.52 -0.17 0.09 0.00 0.00 0.00 179.25 179.75 2gas n ASN 214 N -4.37 0.72 -4.50 0.00 3.02 -0.53 -4.79 115.26 104.82 2gas n ASN 214 Ca 0.07 -0.72 -0.43 0.00 -0.03 0.00 0.00 54.58 53.47 2gas n ASN 214 Cb 0.10 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 2gas n ASN 214 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gas s ASP 215 N -2.48 6.26 0.61 6.41 2.15 -0.87 -4.93 116.67 123.81 2gas s ASP 215 Ca 0.27 -0.49 0.30 0.00 0.43 0.00 0.00 52.55 53.06 2gas s ASP 215 Cb 0.20 -2.27 1.68 0.00 -0.30 0.00 0.00 42.92 42.22 2gas s ASP 215 CO 0.49 -0.68 2.05 -0.65 -0.17 0.00 0.00 175.17 176.21 2gas h PRO 216 N 8.80 0.00 0.00 4.34 0.11 -1.86 -1.73 132.00 141.66 2gas h PRO 216 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2gas h PRO 216 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2gas h PRO 216 CO 0.85 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.73 2gas n ASN 217 N -3.58 0.00 -0.49 -2.05 3.02 -1.26 -3.12 115.26 107.78 2gas n ASN 217 Ca 0.02 0.38 0.14 0.00 -0.03 0.00 0.00 54.58 55.09 2gas n ASN 217 Cb 0.38 -0.45 0.47 0.00 -0.61 0.00 0.00 39.78 39.57 2gas n ASN 217 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2gas n THR 218 N -1.45 0.00 -1.68 3.41 -2.24 -0.65 -4.88 114.28 106.79 2gas n THR 218 Ca 0.05 -0.25 -0.46 0.00 -2.27 0.00 0.00 64.05 61.12 2gas n THR 218 Cb 0.20 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 2gas n THR 218 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2gas n LEU 219 N 0.16 3.46 -3.66 3.22 7.94 -1.18 -1.67 117.00 125.27 2gas n LEU 219 Ca 0.18 1.01 -0.23 0.00 -1.11 0.00 0.00 56.01 55.85 2gas n LEU 219 Cb 0.37 -1.42 0.06 0.00 0.53 0.00 0.00 43.42 42.96 2gas n LEU 219 CO 0.18 -0.08 0.11 0.59 -1.11 0.00 0.00 177.39 177.07 2gas n ASN 220 N 5.49 -3.76 -4.12 1.96 5.03 0.22 -4.94 115.26 115.13 2gas n ASN 220 Ca 0.20 -0.68 -0.11 0.00 0.87 0.00 0.00 54.58 54.86 2gas n ASN 220 Cb 0.31 -4.56 -0.10 0.00 -1.02 0.00 0.00 39.78 34.41 2gas n ASN 220 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2gas s LYS 221 N -6.08 0.70 -0.21 3.52 -0.14 -0.67 -4.84 119.74 112.01 2gas s LYS 221 Ca 0.33 -1.12 -0.11 0.00 -1.36 0.00 0.00 55.97 53.71 2gas s LYS 221 Cb -0.16 -0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 35.77 2gas s LYS 221 CO 0.77 -0.01 0.17 0.00 -0.76 0.00 0.00 175.35 175.52 2gas s ALA 222 N -2.89 3.65 -0.26 5.17 0.00 0.62 -1.75 121.76 126.29 2gas s ALA 222 Ca 0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2gas s ALA 222 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2gas s ALA 222 CO -0.04 -0.00 0.13 0.08 0.00 0.00 0.00 175.76 175.93 2gas s VAL 223 N 0.68 4.78 -0.21 0.00 1.01 0.64 -0.81 120.40 126.49 2gas s VAL 223 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 2gas s VAL 223 Cb -0.12 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2gas s VAL 223 CO 0.01 0.30 0.10 -1.00 0.00 0.00 0.00 175.10 174.52 2gas s HIS 224 N 1.66 3.27 -0.47 5.22 3.76 0.30 -0.70 115.29 128.34 2gas s HIS 224 Ca 0.07 0.10 -0.13 0.00 -0.15 0.00 0.00 55.06 54.95 2gas s HIS 224 Cb -0.15 -2.17 0.09 0.00 1.11 0.00 0.00 32.58 31.46 2gas s HIS 224 CO 0.07 0.08 0.37 0.42 -0.85 0.00 0.00 174.74 174.83 2gas s ILE 225 N 0.74 4.79 -0.45 0.60 1.01 -0.34 -0.58 121.20 126.96 2gas s ILE 225 Ca 0.05 -1.36 0.03 0.00 0.00 0.00 0.00 60.65 59.37 2gas s ILE 225 Cb -0.13 -3.96 0.15 0.00 0.01 0.00 0.00 42.46 38.53 2gas s ILE 225 CO 0.02 -0.65 0.31 -0.13 0.00 0.00 0.00 174.94 174.49 2gas s ARG 226 N 1.53 1.18 0.02 2.79 3.00 -1.26 -4.59 118.95 121.62 2gas s ARG 226 Ca 0.04 -2.12 -0.30 0.00 0.00 0.00 0.00 55.73 53.35 2gas s ARG 226 Cb -0.25 -1.96 -0.04 0.00 0.00 0.00 0.00 34.95 32.70 2gas s ARG 226 CO 0.03 -1.28 1.12 -0.51 0.00 0.00 0.00 175.30 174.67 2gas s LEU 227 N 0.10 4.35 0.13 2.53 1.43 -1.26 -4.67 118.68 121.29 2gas s LEU 227 Ca 0.25 1.85 -0.26 0.00 -1.03 0.00 0.00 54.13 54.93 2gas s LEU 227 Cb -0.10 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 2gas s LEU 227 CO -0.10 -0.42 1.35 -2.65 0.23 0.00 0.00 176.35 174.77 2gas n PRO 228 N 4.15 -0.37 0.02 1.29 -0.02 -1.26 -0.77 135.00 138.05 2gas n PRO 228 Ca 0.08 1.32 0.09 0.00 -2.02 0.00 0.00 63.50 62.98 2gas n PRO 228 Cb 0.48 -1.95 0.39 0.00 -0.02 0.00 0.00 33.50 32.41 2gas n PRO 228 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2gas n LYS 229 N -4.97 0.04 -0.16 -0.52 5.02 -1.26 -2.82 118.16 113.48 2gas n LYS 229 Ca 0.02 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.59 2gas n LYS 229 Cb 0.22 -1.56 0.15 0.00 -0.02 0.00 0.00 35.03 33.82 2gas n LYS 229 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gas n ASN 230 N -1.62 2.86 -4.39 4.39 4.13 0.05 -4.54 115.26 116.14 2gas n ASN 230 Ca 0.04 -1.92 -0.45 0.00 1.68 0.00 0.00 54.58 53.93 2gas n ASN 230 Cb 0.22 -0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2gas n ASN 230 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2gas s TYR 231 N -1.00 3.20 0.01 3.10 5.04 -0.57 -2.15 117.35 124.97 2gas s TYR 231 Ca 0.24 -1.32 0.03 0.00 -2.44 0.00 0.00 57.07 53.57 2gas s TYR 231 Cb 0.13 -4.07 -0.01 0.00 0.35 0.00 0.00 41.96 38.36 2gas s TYR 231 CO 0.17 -1.31 -0.08 -0.51 -1.34 0.00 0.00 175.55 172.48 2gas s LEU 232 N 2.17 2.07 0.79 6.97 1.43 -0.20 -4.85 118.68 127.05 2gas s LEU 232 Ca 0.20 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 2gas s LEU 232 Cb -0.14 -0.38 0.06 0.00 0.03 0.00 0.00 46.19 45.76 2gas s LEU 232 CO -0.02 0.04 1.13 0.42 0.23 0.00 0.00 176.35 178.15 2gas s THR 233 N -0.44 2.70 0.26 5.49 -4.23 -1.26 -0.84 115.64 117.31 2gas s THR 233 Ca 0.01 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2gas s THR 233 Cb -0.05 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.78 2gas s THR 233 CO 0.00 -0.30 1.78 -0.61 -0.54 0.00 0.00 174.62 174.95 2gas h GLN 234 N -0.99 0.86 -0.81 3.99 5.75 -1.65 -0.57 115.11 121.68 2gas h GLN 234 Ca -0.46 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 57.83 2gas h GLN 234 Cb 1.29 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.69 2gas h GLN 234 CO 0.63 0.81 0.51 -0.91 -2.65 0.00 0.00 178.83 177.23 2gas h ASN 235 N 0.82 0.95 -0.29 -0.69 -0.26 -1.46 -0.34 115.58 114.31 2gas h ASN 235 Ca 0.17 -0.04 -0.18 0.00 -0.56 0.00 0.00 56.30 55.69 2gas h ASN 235 Cb 0.38 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2gas h ASN 235 CO 0.01 0.71 -0.52 -0.33 -1.06 0.00 0.00 177.43 176.24 2gas h GLU 236 N 1.11 0.88 -0.50 0.81 5.08 -1.59 -1.98 114.58 118.39 2gas h GLU 236 Ca 0.29 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2gas h GLU 236 Cb -0.09 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2gas h GLU 236 CO -0.06 1.18 0.22 0.28 -1.00 0.00 0.00 179.01 179.63 2gas h VAL 237 N 0.68 1.20 -0.71 3.13 2.07 -0.65 -2.13 116.25 119.85 2gas h VAL 237 Ca 0.02 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2gas h VAL 237 Cb 1.12 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2gas h VAL 237 CO 0.12 0.23 0.23 0.40 0.02 0.00 0.00 177.57 178.57 2gas h ILE 238 N 0.67 1.25 -0.62 4.57 2.04 -1.02 -2.40 117.51 122.01 2gas h ILE 238 Ca 0.17 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 2gas h ILE 238 Cb 0.16 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2gas h ILE 238 CO -0.02 0.34 0.26 0.00 0.00 0.00 0.00 178.15 178.73 2gas h ALA 239 N 1.20 1.29 -0.37 1.87 0.00 -1.06 0.11 119.26 122.31 2gas h ALA 239 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2gas h ALA 239 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2gas h ALA 239 CO -0.01 0.53 0.21 1.25 0.00 0.00 0.00 179.25 181.23 2gas h LEU 240 N 0.89 0.45 -0.27 0.00 5.85 -0.92 -1.47 115.31 119.83 2gas h LEU 240 Ca 0.21 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2gas h LEU 240 Cb 0.16 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2gas h LEU 240 CO -0.02 0.40 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.16 2gas h TRP 241 N 0.47 0.59 -0.79 1.25 -0.00 -0.96 -2.93 115.95 113.58 2gas h TRP 241 Ca 0.13 -0.13 0.07 0.00 -0.00 0.00 0.00 58.89 58.96 2gas h TRP 241 Cb 0.04 -0.14 -0.05 0.00 -0.00 0.00 0.00 29.16 29.01 2gas h TRP 241 CO -0.03 0.74 0.52 0.93 -0.00 0.00 0.00 178.44 180.60 2gas h GLU 242 N 0.28 0.81 -0.69 2.65 5.08 -0.62 -0.26 114.58 121.83 2gas h GLU 242 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2gas h GLU 242 Cb 0.55 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2gas h GLU 242 CO 0.03 0.54 0.20 -0.22 -1.00 0.00 0.00 179.01 178.56 2gas h LYS 243 N 0.84 1.07 -0.09 2.33 3.64 -1.15 -1.82 116.57 121.38 2gas h LYS 243 Ca 0.35 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 59.32 2gas h LYS 243 Cb 0.27 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2gas h LYS 243 CO -0.12 0.92 -0.69 0.87 -2.27 0.00 0.00 179.45 178.15 2gas h LYS 244 N 1.03 0.41 -0.01 1.90 1.57 -0.91 -3.18 116.57 117.37 2gas h LYS 244 Ca 0.22 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2gas h LYS 244 Cb 0.31 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2gas h LYS 244 CO -0.01 0.95 -0.18 0.44 -0.57 0.00 0.00 179.45 180.09 2gas n ILE 245 N -3.86 0.00 -2.22 1.86 -5.35 -0.55 -4.95 119.36 104.29 2gas n ILE 245 Ca -0.04 -0.17 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 2gas n ILE 245 Cb 0.68 0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 39.04 2gas n ILE 245 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gas n GLY 246 N 1.29 -0.12 3.42 3.28 0.00 -0.71 -5.00 105.19 107.35 2gas n GLY 246 Ca 0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2gas n GLY 246 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gas s LYS 247 N -4.63 1.24 0.05 1.61 -2.85 -1.09 -5.06 119.74 109.01 2gas s LYS 247 Ca 0.00 -0.43 -0.09 0.00 -1.00 0.00 0.00 55.97 54.45 2gas s LYS 247 Cb 0.00 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 2gas s LYS 247 CO 0.00 -0.53 0.36 0.99 0.10 0.00 0.00 175.35 176.27 2gas s THR 248 N -3.53 5.16 0.24 3.79 2.01 -1.26 -4.51 115.64 117.54 2gas s THR 248 Ca 0.00 0.39 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 2gas s THR 248 Cb -0.01 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 2gas s THR 248 CO -0.11 0.33 0.55 -0.76 -0.69 0.00 0.00 174.62 173.95 2gas s LEU 249 N -1.80 4.14 -0.04 4.42 1.43 -1.26 -4.96 118.68 120.61 2gas s LEU 249 Ca 0.31 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 53.99 2gas s LEU 249 Cb -0.14 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 2gas s LEU 249 CO 0.17 -0.10 1.17 -1.61 0.23 0.00 0.00 176.35 176.21 2gas s GLU 250 N -2.96 4.38 -0.21 1.70 2.02 -0.28 -4.89 118.70 118.45 2gas s GLU 250 Ca 0.47 1.65 -0.06 0.00 0.02 0.00 0.00 54.97 57.05 2gas s GLU 250 Cb -0.11 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2gas s GLU 250 CO 0.23 -0.38 0.03 0.15 0.02 0.00 0.00 175.26 175.31 2gas s LYS 251 N 1.93 3.67 -0.21 1.61 1.02 -1.26 -0.89 119.74 125.60 2gas s LYS 251 Ca 0.56 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 56.02 2gas s LYS 251 Cb -0.25 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2gas s LYS 251 CO 0.23 -0.00 -0.05 0.99 -0.92 0.00 0.00 175.35 175.60 2gas s THR 252 N 1.07 3.38 -0.29 2.17 2.01 -0.24 -5.00 115.64 118.73 2gas s THR 252 Ca 0.03 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 2gas s THR 252 Cb -0.14 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2gas s THR 252 CO 0.02 0.44 0.19 -0.31 -0.69 0.00 0.00 174.62 174.27 2gas s TYR 253 N 1.32 3.21 -0.17 4.92 1.51 -1.26 -0.11 117.35 126.77 2gas s TYR 253 Ca 0.04 -0.03 -0.12 0.00 -1.01 0.00 0.00 57.07 55.95 2gas s TYR 253 Cb -0.14 -2.39 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 2gas s TYR 253 CO -0.02 -0.23 0.22 0.08 -1.11 0.00 0.00 175.55 174.48 2gas s VAL 254 N 1.73 5.36 0.66 0.71 1.01 -0.23 -4.93 120.40 124.71 2gas s VAL 254 Ca 0.07 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 2gas s VAL 254 Cb -0.16 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2gas s VAL 254 CO 0.10 0.43 1.15 -0.94 0.00 0.00 0.00 175.10 175.85 2gas s SER 255 N 0.26 4.93 0.27 3.32 1.04 -1.26 -0.34 113.70 121.92 2gas s SER 255 Ca 0.13 2.17 -0.04 0.00 0.48 0.00 0.00 55.95 58.69 2gas s SER 255 Cb -0.12 -2.57 0.35 0.00 0.10 0.00 0.00 66.02 63.78 2gas s SER 255 CO 0.02 -1.76 1.93 -0.08 0.98 0.00 0.00 173.24 174.33 2gas h GLU 256 N 0.19 1.18 -0.54 4.02 4.81 -1.96 -1.64 114.58 120.63 2gas h GLU 256 Ca -0.48 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 58.74 2gas h GLU 256 Cb 1.27 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 2gas h GLU 256 CO 0.53 0.80 0.18 0.93 -0.73 0.00 0.00 179.01 180.73 2gas h GLU 257 N 1.20 0.34 -0.33 1.92 3.07 -2.00 -0.44 114.58 118.35 2gas h GLU 257 Ca 0.32 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 59.00 2gas h GLU 257 Cb -0.09 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2gas h GLU 257 CO -0.06 0.23 -0.42 0.37 -1.40 0.00 0.00 179.01 177.72 2gas h GLN 258 N 0.35 0.82 -0.21 2.33 5.75 -1.80 -2.53 115.11 119.82 2gas h GLN 258 Ca 0.27 -0.45 0.01 0.00 -0.15 0.00 0.00 58.65 58.34 2gas h GLN 258 Cb 0.32 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 2gas h GLN 258 CO -0.28 1.08 0.10 0.28 -2.65 0.00 0.00 178.83 177.35 2gas h VAL 259 N 0.66 0.99 -0.63 2.39 2.07 -0.69 0.15 116.25 121.19 2gas h VAL 259 Ca 0.05 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2gas h VAL 259 Cb 1.00 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2gas h VAL 259 CO 0.10 0.04 0.41 -0.07 0.02 0.00 0.00 177.57 178.07 2gas h LEU 260 N 0.21 0.66 -0.28 2.57 3.38 -1.03 -0.37 115.31 120.45 2gas h LEU 260 Ca 0.09 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2gas h LEU 260 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2gas h LEU 260 CO -0.07 0.47 -0.24 0.11 0.09 0.00 0.00 178.44 178.80 2gas h LYS 261 N 0.78 0.65 -1.00 1.13 1.57 -0.94 -2.56 116.57 116.20 2gas h LYS 261 Ca 0.24 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2gas h LYS 261 Cb 0.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2gas h LYS 261 CO -0.06 0.93 0.66 -0.44 -0.57 0.00 0.00 179.45 179.97 2gas h ASP 262 N 0.39 1.11 -0.46 0.86 3.32 0.20 0.00 116.42 121.85 2gas h ASP 262 Ca 0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2gas h ASP 262 Cb 0.79 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2gas h ASP 262 CO 0.06 0.78 0.18 0.40 -1.72 0.00 0.00 179.24 178.94 2gas h ILE 263 N 1.30 1.21 0.00 0.35 2.04 -0.99 -1.86 117.51 119.55 2gas h ILE 263 Ca 0.38 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2gas h ILE 263 Cb -0.06 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2gas h ILE 263 CO -0.11 0.24 -0.39 1.56 0.00 0.00 0.00 178.15 179.45 2gas h GLN 264 N 0.60 0.00 -0.48 2.37 4.20 -1.01 -3.24 115.11 117.56 2gas h GLN 264 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2gas h GLN 264 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2gas h GLN 264 CO -0.01 0.39 0.00 0.39 -0.67 0.00 0.00 178.83 178.93 2gas n GLU 265 N -3.54 2.52 -4.39 1.46 1.02 -0.06 -4.97 120.64 112.67 2gas n GLU 265 Ca -0.00 -2.33 -0.30 0.00 -0.02 0.00 0.00 57.16 54.50 2gas n GLU 265 Cb 0.52 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 2gas n GLU 265 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2gas s SER 266 N -1.25 4.01 0.78 1.62 0.01 -0.72 -5.03 113.70 113.12 2gas s SER 266 Ca 0.39 -0.46 -0.09 0.00 1.31 0.00 0.00 55.95 57.09 2gas s SER 266 Cb 0.22 -0.66 0.09 0.00 0.21 0.00 0.00 66.02 65.89 2gas s SER 266 CO 0.30 0.21 1.11 -0.44 0.41 0.00 0.00 173.24 174.83 2gas s SER 267 N -1.92 4.43 0.50 2.44 0.01 -1.26 -4.28 113.70 113.61 2gas s SER 267 Ca 0.18 0.48 -0.21 0.00 1.31 0.00 0.00 55.95 57.71 2gas s SER 267 Cb -0.11 -0.97 -0.07 0.00 0.21 0.00 0.00 66.02 65.08 2gas s SER 267 CO 0.09 -1.89 1.10 0.12 0.41 0.00 0.00 173.24 173.08 2gas s PHE 268 N -3.45 2.86 -1.59 2.43 2.19 -1.26 -2.12 117.98 117.05 2gas s PHE 268 Ca 0.63 1.56 0.28 0.00 0.33 0.00 0.00 56.93 59.74 2gas s PHE 268 Cb -0.09 -3.22 1.12 0.00 -1.31 0.00 0.00 43.02 39.52 2gas s PHE 268 CO 0.47 -1.25 1.80 -0.35 1.83 0.00 0.00 175.22 177.72 2gas n PRO 269 N -0.94 0.63 -0.22 10.12 -0.04 -1.26 -4.90 135.00 138.39 2gas n PRO 269 Ca 0.10 -0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.31 2gas n PRO 269 Cb 0.51 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.58 2gas n PRO 269 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gas h HIS 270 N 0.59 0.57 -0.73 0.54 3.86 -1.78 -0.67 115.15 117.54 2gas h HIS 270 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2gas h HIS 270 Cb 0.39 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2gas h HIS 270 CO 0.00 0.23 0.46 -2.95 0.86 0.00 0.00 177.93 176.53 2gas h ASN 271 N 0.57 0.85 -0.02 2.45 -0.00 -1.68 -0.34 115.58 117.41 2gas h ASN 271 Ca 0.31 -0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.56 2gas h ASN 271 Cb 0.29 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 38.39 2gas h ASN 271 CO -0.24 0.64 -0.01 0.22 -0.00 0.00 0.00 177.43 178.04 2gas h TYR 272 N 0.99 0.05 -0.36 4.14 3.20 -1.77 -1.93 116.97 121.30 2gas h TYR 272 Ca 0.26 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2gas h TYR 272 Cb -0.08 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2gas h TYR 272 CO -0.02 0.41 0.21 -0.07 -1.64 0.00 0.00 178.16 177.06 2gas h LEU 273 N -0.32 0.43 -1.18 2.82 3.38 -1.01 -1.24 115.31 118.18 2gas h LEU 273 Ca 0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2gas h LEU 273 Cb 0.40 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2gas h LEU 273 CO 0.00 0.37 0.03 -0.07 0.09 0.00 0.00 178.44 178.86 2gas h LEU 274 N 0.46 0.56 -0.72 1.67 3.38 -1.09 -0.80 115.31 118.77 2gas h LEU 274 Ca 0.13 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2gas h LEU 274 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2gas h LEU 274 CO -0.02 0.61 -0.08 0.00 0.09 0.00 0.00 178.44 179.03 2gas h ALA 275 N 1.47 0.91 -0.31 1.53 0.00 -0.97 0.11 119.26 122.00 2gas h ALA 275 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2gas h ALA 275 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2gas h ALA 275 CO 0.01 0.63 0.07 -0.07 0.00 0.00 0.00 179.25 179.89 2gas h LEU 276 N 0.81 0.48 -0.89 0.00 3.38 -0.66 -2.06 115.31 116.38 2gas h LEU 276 Ca 0.14 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2gas h LEU 276 Cb 0.60 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2gas h LEU 276 CO 0.04 0.59 -0.13 1.88 0.09 0.00 0.00 178.44 180.91 2gas h TYR 277 N 0.35 0.74 -0.41 1.13 0.99 -0.95 -2.32 116.97 116.50 2gas h TYR 277 Ca 0.10 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 2gas h TYR 277 Cb 0.30 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 37.82 2gas h TYR 277 CO 0.02 0.77 0.23 1.25 -0.00 0.00 0.00 178.16 180.43 2gas h HIS 278 N 0.62 0.56 -0.85 4.88 2.76 -0.64 0.34 115.15 122.82 2gas h HIS 278 Ca 0.11 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2gas h HIS 278 Cb 0.58 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.32 2gas h HIS 278 CO 0.03 0.43 0.42 1.03 -1.30 0.00 0.00 177.93 178.53 2gas h SER 279 N 0.53 1.11 0.07 3.26 0.87 -1.15 -0.71 113.55 117.52 2gas h SER 279 Ca 0.14 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2gas h SER 279 Cb 0.05 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2gas h SER 279 CO -0.02 0.92 -0.03 1.56 -0.53 0.00 0.00 176.83 178.73 2gas h GLN 280 N 1.21 -0.09 0.00 2.24 4.20 -1.11 -1.35 115.11 120.22 2gas h GLN 280 Ca 0.29 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.88 2gas h GLN 280 Cb 0.10 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2gas h GLN 280 CO -0.04 0.34 -0.73 1.96 -0.67 0.00 0.00 178.83 179.69 2gas h GLN 281 N -0.97 0.00 0.00 1.46 4.20 -0.39 -3.08 115.11 116.33 2gas h GLN 281 Ca -0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.44 2gas h GLN 281 Cb 0.47 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 2gas h GLN 281 CO 0.02 0.56 -1.90 -0.89 -0.67 0.00 0.00 178.83 175.95 2gas n ILE 282 N -3.20 0.89 0.31 2.54 5.41 -0.40 -4.52 119.36 120.39 2gas n ILE 282 Ca -0.00 -0.27 0.12 0.00 1.00 0.00 0.00 62.75 63.60 2gas n ILE 282 Cb 0.79 -1.45 0.21 0.00 -0.71 0.00 0.00 39.64 38.48 2gas n ILE 282 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2gas h LYS 283 N -0.36 0.00 -4.87 0.38 1.79 -1.26 -3.49 116.57 108.77 2gas h LYS 283 Ca -0.39 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.87 2gas h LYS 283 Cb 1.43 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 32.23 2gas h LYS 283 CO -0.17 0.00 -0.64 0.41 -1.08 0.00 0.00 179.45 177.96 2gas n GLY 284 N 1.15 -0.55 0.14 3.86 0.00 -0.85 -4.91 105.19 104.02 2gas n GLY 284 Ca 0.04 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.45 2gas n GLY 284 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gas n ASP 285 N -2.78 0.62 -0.80 1.61 3.85 -0.57 -1.40 116.55 117.08 2gas n ASP 285 Ca -0.10 0.69 0.12 0.00 -0.71 0.00 0.00 54.79 54.80 2gas n ASP 285 Cb 0.60 -0.81 0.28 0.00 -1.35 0.00 0.00 41.12 39.84 2gas n ASP 285 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gas n ALA 286 N -1.77 2.49 -2.63 2.12 0.00 -1.26 -4.71 120.51 114.75 2gas n ALA 286 Ca 0.01 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 2gas n ALA 286 Cb 0.16 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 2gas n ALA 286 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gas s VAL 287 N -1.89 5.04 -0.29 0.00 1.01 -0.49 -4.90 120.40 118.89 2gas s VAL 287 Ca 0.33 -0.43 -0.36 0.00 0.00 0.00 0.00 61.98 61.52 2gas s VAL 287 Cb 0.20 -3.66 0.17 0.00 0.00 0.00 0.00 36.38 33.10 2gas s VAL 287 CO 0.31 -0.08 1.37 -0.72 0.00 0.00 0.00 175.10 175.98 2gas s TYR 288 N 1.67 -0.02 -0.09 5.22 1.13 -1.26 -5.01 117.35 118.99 2gas s TYR 288 Ca 0.05 0.02 -0.12 0.00 -1.41 0.00 0.00 57.07 55.61 2gas s TYR 288 Cb -0.18 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.13 2gas s TYR 288 CO 0.09 -0.03 0.28 -1.21 -2.51 0.00 0.00 175.55 172.17 2gas s GLU 289 N -1.80 3.83 0.72 -3.49 0.41 -1.26 -5.08 118.70 112.02 2gas s GLU 289 Ca 0.11 0.12 -0.11 0.00 -0.41 0.00 0.00 54.97 54.68 2gas s GLU 289 Cb -0.01 -3.26 0.02 0.00 -1.78 0.00 0.00 34.13 29.10 2gas s GLU 289 CO -0.04 0.61 1.08 0.96 -0.49 0.00 0.00 175.26 177.39 2gas s ILE 290 N -0.67 3.59 -0.41 -1.63 -0.00 -1.26 -5.04 121.20 115.79 2gas s ILE 290 Ca 0.18 0.52 -0.08 0.00 -0.00 0.00 0.00 60.65 61.27 2gas s ILE 290 Cb -0.14 -3.42 0.08 0.00 -0.00 0.00 0.00 42.46 38.97 2gas s ILE 290 CO 0.07 -0.67 0.24 -0.62 -0.00 0.00 0.00 174.94 173.95 2gas s ASP 291 N -4.17 5.57 0.53 4.36 3.68 -1.26 -4.98 116.67 120.41 2gas s ASP 291 Ca 0.58 -1.49 0.40 0.00 2.13 0.00 0.00 52.55 54.17 2gas s ASP 291 Cb -0.12 -1.96 1.58 0.00 -1.45 0.00 0.00 42.92 40.97 2gas s ASP 291 CO 0.53 -0.51 1.71 -0.65 0.13 0.00 0.00 175.17 176.38 2gas h PRO 292 N 8.36 0.03 0.00 4.34 0.11 -1.97 0.73 132.00 143.60 2gas h PRO 292 Ca -0.22 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 2gas h PRO 292 Cb 1.08 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2gas h PRO 292 CO 0.73 0.02 -0.24 0.00 -0.21 0.00 0.00 178.00 178.30 2gas h ALA 293 N 1.31 1.04 0.00 -0.75 0.00 -2.01 -3.36 119.26 115.50 2gas h ALA 293 Ca 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2gas h ALA 293 Cb 2.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.49 2gas h ALA 293 CO -0.06 0.30 -0.03 1.63 0.00 0.00 0.00 179.25 181.09 2gas n LYS 294 N -3.44 3.00 -4.41 0.00 5.02 0.74 -4.98 118.16 114.08 2gas n LYS 294 Ca -0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2gas n LYS 294 Cb 0.42 -0.24 -0.10 0.00 -0.02 0.00 0.00 35.03 35.09 2gas n LYS 294 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gas s ASP 295 N -0.45 3.68 -0.03 4.39 1.01 0.22 -0.27 116.67 125.21 2gas s ASP 295 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 52.55 52.39 2gas s ASP 295 Cb 0.00 -0.37 0.03 0.00 1.01 0.00 0.00 42.92 43.58 2gas s ASP 295 CO 0.00 0.08 -0.00 -0.63 0.21 0.00 0.00 175.17 174.83 2gas s ILE 296 N -2.03 0.21 -0.44 0.77 1.01 0.01 -4.48 121.20 116.24 2gas s ILE 296 Ca 0.25 0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 2gas s ILE 296 Cb -0.07 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.12 2gas s ILE 296 CO 0.13 0.16 0.72 -0.70 0.00 0.00 0.00 174.94 175.26 2gas s GLU 297 N 1.14 3.37 0.25 2.79 2.56 -1.26 -0.53 118.70 127.01 2gas s GLU 297 Ca -0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.97 54.65 2gas s GLU 297 Cb -0.13 -3.94 0.46 0.00 2.00 0.00 0.00 34.13 32.52 2gas s GLU 297 CO -0.02 -1.06 1.75 0.00 -0.56 0.00 0.00 175.26 175.37 2gas h ALA 298 N 8.91 1.12 0.00 6.30 0.00 -1.21 -0.04 119.26 134.35 2gas h ALA 298 Ca -0.25 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2gas h ALA 298 Cb 1.09 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2gas h ALA 298 CO 0.93 -0.14 -0.09 0.66 0.00 0.00 0.00 179.25 180.60 2gas h SER 299 N 0.53 0.00 0.17 0.00 4.64 -1.83 0.29 113.55 117.34 2gas h SER 299 Ca 0.42 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.43 2gas h SER 299 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2gas h SER 299 CO -0.37 0.09 -1.55 -0.33 -0.87 0.00 0.00 176.83 173.81 2gas h GLU 300 N 0.00 0.36 0.01 4.77 4.39 -1.44 -3.32 114.58 119.34 2gas h GLU 300 Ca -0.00 -0.61 -0.20 0.00 0.34 0.00 0.00 59.36 58.89 2gas h GLU 300 Cb 0.22 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2gas h GLU 300 CO 0.01 1.29 -0.92 0.00 -1.16 0.00 0.00 179.01 178.24 2gas h ALA 301 N 0.06 0.49 -2.19 3.43 0.00 -0.98 -3.38 119.26 116.69 2gas h ALA 301 Ca -0.31 -0.80 -0.58 0.00 0.00 0.00 0.00 54.91 53.22 2gas h ALA 301 Cb 1.97 -0.12 -0.41 0.00 0.00 0.00 0.00 17.79 19.22 2gas h ALA 301 CO 0.15 1.07 -0.72 0.66 0.00 0.00 0.00 179.25 180.40 2gas n TYR 302 N -3.51 3.07 0.28 0.00 4.01 0.07 -4.88 117.16 116.20 2gas n TYR 302 Ca -0.02 -4.00 0.07 0.00 -0.16 0.00 0.00 57.90 53.79 2gas n TYR 302 Cb 0.86 -0.50 0.32 0.00 -0.31 0.00 0.00 39.34 39.71 2gas n TYR 302 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2gas n PRO 303 N 0.40 0.07 0.13 -0.72 -0.04 -1.25 -2.07 135.00 131.53 2gas n PRO 303 Ca 0.29 0.43 -0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2gas n PRO 303 Cb 0.44 -1.67 0.12 0.00 -0.04 0.00 0.00 33.50 32.34 2gas n PRO 303 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2gas h ASP 304 N 0.00 0.00 -2.97 3.54 3.04 -1.91 -3.44 116.42 114.68 2gas h ASP 304 Ca 0.00 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.22 2gas h ASP 304 Cb 0.17 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.42 2gas h ASP 304 CO 0.00 0.63 1.05 -0.69 -2.04 0.00 0.00 179.24 178.19 2gas s VAL 305 N -3.27 3.92 0.41 4.15 1.01 -0.88 -5.00 120.40 120.74 2gas s VAL 305 Ca 0.01 1.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.83 2gas s VAL 305 Cb 0.11 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 2gas s VAL 305 CO 0.75 -0.40 0.89 0.42 0.00 0.00 0.00 175.10 176.77 2gas s THR 306 N 4.82 4.48 0.05 3.92 -4.23 -1.26 -5.07 115.64 118.34 2gas s THR 306 Ca 0.64 1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 62.45 2gas s THR 306 Cb -0.20 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2gas s THR 306 CO 0.26 -0.32 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.29 2gas s TYR 307 N -2.17 0.44 -0.09 3.99 1.13 -1.26 -5.06 117.35 114.33 2gas s TYR 307 Ca 0.60 -0.92 -0.30 0.00 -1.41 0.00 0.00 57.07 55.04 2gas s TYR 307 Cb -0.09 -0.33 -0.02 0.00 -1.10 0.00 0.00 41.96 40.42 2gas s TYR 307 CO 0.16 -0.35 1.03 0.99 -2.51 0.00 0.00 175.55 174.87 2gas s THR 308 N -3.38 4.72 0.61 -3.49 2.01 -1.26 -5.03 115.64 109.81 2gas s THR 308 Ca 0.02 1.98 -0.11 0.00 0.31 0.00 0.00 61.69 63.89 2gas s THR 308 Cb 0.04 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2gas s THR 308 CO -0.08 0.02 1.02 0.42 -0.69 0.00 0.00 174.62 175.30 2gas s THR 309 N 1.94 4.70 0.33 -0.82 -4.23 -1.26 -4.72 115.64 111.59 2gas s THR 309 Ca 0.50 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 61.91 2gas s THR 309 Cb -0.19 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 69.98 2gas s THR 309 CO 0.19 -1.10 1.90 0.00 -0.54 0.00 0.00 174.62 175.08 2gas h ALA 310 N -0.20 1.38 -0.48 3.99 0.00 -1.92 -0.82 119.26 121.21 2gas h ALA 310 Ca -0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2gas h ALA 310 Cb 1.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2gas h ALA 310 CO 0.62 0.45 0.28 0.22 0.00 0.00 0.00 179.25 180.82 2gas h ASP 311 N 0.69 0.59 -0.29 0.00 3.58 -1.92 -2.13 116.42 116.94 2gas h ASP 311 Ca 0.16 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2gas h ASP 311 Cb 0.19 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2gas h ASP 311 CO -0.01 0.50 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.67 2gas h GLU 312 N 0.64 0.57 -0.79 0.28 4.81 -1.83 -3.20 114.58 115.06 2gas h GLU 312 Ca 0.17 -0.23 0.13 0.00 -0.13 0.00 0.00 59.36 59.30 2gas h GLU 312 Cb 0.03 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.29 2gas h GLU 312 CO -0.03 0.79 0.38 -0.92 -0.73 0.00 0.00 179.01 178.50 2gas h TYR 313 N 0.33 0.67 0.00 0.92 3.20 -0.91 -1.98 116.97 119.20 2gas h TYR 313 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2gas h TYR 313 Cb 0.59 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2gas h TYR 313 CO 0.05 0.17 0.00 -0.07 -1.64 0.00 0.00 178.16 176.67 2gas h LEU 314 N 0.58 0.00 -1.77 2.82 3.38 -1.38 -3.24 115.31 115.70 2gas h LEU 314 Ca 0.42 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.44 2gas h LEU 314 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2gas h LEU 314 CO -0.35 0.00 0.24 0.78 0.09 0.00 0.00 178.44 179.20 2gas h ASN 315 N 0.00 0.25 0.44 -0.43 2.35 -1.42 -2.23 115.58 114.55 2gas h ASN 315 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2gas h ASN 315 Cb 0.41 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2gas h ASN 315 CO 0.00 0.17 0.00 0.06 -1.65 0.00 0.00 177.43 176.01 2gas h GLN 316 N 0.29 0.00 -0.01 0.81 3.07 -1.74 -2.76 115.11 114.77 2gas h GLN 316 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 2gas h GLN 316 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 2gas h GLN 316 CO -0.03 0.00 -0.66 1.19 0.09 0.00 0.00 178.83 179.42 2gas n PHE 317 N -2.64 0.00 0.74 0.06 3.01 -0.84 -5.21 117.46 112.58 2gas n PHE 317 Ca -0.00 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 2gas n PHE 317 Cb 0.16 -0.01 0.35 0.00 -0.01 0.00 0.00 39.48 39.97 2gas n PHE 317 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05