#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fea s THR 3 N nan 3.22 -0.23 0.00 -4.23 -1.26 -5.05 115.64 nan 2fea s THR 3 Ca nan 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 nan 2fea s THR 3 Cb nan -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 nan 2fea s THR 3 CO nan -0.36 -0.01 -0.13 -0.54 0.00 0.00 174.62 nan 2fea s ARG 4 N -5.13 3.38 0.11 3.99 0.52 -1.26 -5.02 118.95 115.54 2fea s ARG 4 Ca 0.56 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 54.84 2fea s ARG 4 Cb -0.11 -3.09 -0.07 0.00 0.52 0.00 0.00 34.95 32.20 2fea s ARG 4 CO 0.46 -0.22 1.24 0.21 0.02 0.00 0.00 175.30 177.01 2fea s LYS 5 N 1.50 4.42 0.47 3.54 2.20 -1.26 -4.47 119.74 126.14 2fea s LYS 5 Ca 0.05 1.87 -0.23 0.00 -0.36 0.00 0.00 55.97 57.30 2fea s LYS 5 Cb -0.15 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 2fea s LYS 5 CO -0.02 -0.25 1.25 -2.14 -0.36 0.00 0.00 175.35 173.83 2fea s PRO 6 N 0.68 3.62 -0.11 4.03 0.02 -1.26 -0.48 135.00 141.50 2fea s PRO 6 Ca 0.58 1.98 -0.04 0.00 0.02 0.00 0.00 61.00 63.54 2fea s PRO 6 Cb -0.32 -2.43 0.05 0.00 0.02 0.00 0.00 34.50 31.82 2fea s PRO 6 CO 0.32 -0.72 0.08 0.12 -0.33 0.00 0.00 177.00 176.46 2fea s PHE 7 N -1.42 0.13 -0.18 6.54 2.19 0.15 -4.00 117.98 121.37 2fea s PHE 7 Ca 0.65 -0.04 -0.02 0.00 0.33 0.00 0.00 56.93 57.84 2fea s PHE 7 Cb -0.34 -0.59 -0.01 0.00 -1.31 0.00 0.00 43.02 40.77 2fea s PHE 7 CO 0.41 -0.36 -0.08 0.42 1.83 0.00 0.00 175.22 177.44 2fea s ILE 8 N 2.15 3.23 0.05 3.12 1.01 -0.47 -0.26 121.20 130.03 2fea s ILE 8 Ca 0.03 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.21 2fea s ILE 8 Cb -0.14 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2fea s ILE 8 CO -0.06 0.47 -0.26 0.27 0.00 0.00 0.00 174.94 175.35 2fea s ILE 9 N 1.03 2.12 -0.02 2.92 -0.00 -0.04 -1.57 121.20 125.65 2fea s ILE 9 Ca -0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 60.65 59.26 2fea s ILE 9 Cb -0.15 -1.81 0.02 0.00 -0.00 0.00 0.00 42.46 40.53 2fea s ILE 9 CO -0.01 0.35 0.02 0.00 -0.00 0.00 0.00 174.94 175.30 2fea s ASP 11 N 0.90 3.85 0.00 0.00 2.15 -0.23 -1.42 116.67 121.92 2fea s ASP 11 Ca -0.08 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.05 2fea s ASP 11 Cb -0.11 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 2fea s ASP 11 CO -0.02 -2.36 0.00 0.33 -0.17 0.00 0.00 175.17 172.95 2fea n PHE 12 N -3.66 0.00 -1.67 -5.34 7.35 -1.26 -3.69 117.46 109.19 2fea n PHE 12 Ca 0.07 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 56.26 2fea n PHE 12 Cb 0.58 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.36 2fea n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2fea n ASP 13 N -1.49 2.93 0.00 -2.13 8.00 -1.26 -0.40 116.55 122.19 2fea n ASP 13 Ca 0.00 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.54 2fea n ASP 13 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 2fea n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fea n GLY 14 N 3.79 2.61 0.76 0.44 0.00 -0.59 -4.72 105.19 107.49 2fea n GLY 14 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2fea n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2fea n THR 15 N -2.00 0.74 0.04 2.61 -1.04 -0.36 -4.77 114.28 109.50 2fea n THR 15 Ca 0.00 0.25 -0.20 0.00 -2.04 0.00 0.00 64.05 62.06 2fea n THR 15 Cb 0.00 -1.51 -0.10 0.00 -1.82 0.00 0.00 70.33 66.90 2fea n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2fea h ILE 16 N -0.15 1.28 0.00 12.58 2.04 -0.80 -3.43 117.51 129.02 2fea h ILE 16 Ca 0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 2fea h ILE 16 Cb 0.15 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2fea h ILE 16 CO 0.00 0.70 0.00 0.35 0.00 0.00 0.00 178.15 179.20 2fea n THR 17 N -3.85 0.00 0.00 -0.27 -2.24 -1.11 0.31 114.28 107.12 2fea n THR 17 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2fea n THR 17 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2fea n THR 17 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2fea n ASN 19 N 0.00 0.00 -4.52 3.42 3.02 -1.26 -2.41 115.26 113.51 2fea n ASN 19 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2fea n ASN 19 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2fea n ASN 19 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2fea s ASP 20 N 0.00 6.34 0.40 6.41 -1.08 -1.26 -1.54 116.67 125.95 2fea s ASP 20 Ca 0.00 -0.36 0.15 0.00 -0.52 0.00 0.00 52.55 51.82 2fea s ASP 20 Cb 0.00 -2.41 0.85 0.00 -1.46 0.00 0.00 42.92 39.90 2fea s ASP 20 CO 0.00 -1.14 1.88 0.78 0.52 0.00 0.00 175.17 177.21 2fea h ASN 21 N 9.22 0.00 -0.07 -0.34 2.35 -1.97 -2.07 115.58 122.70 2fea h ASN 21 Ca -0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 2fea h ASN 21 Cb 1.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 2fea h ASN 21 CO 1.06 0.30 -0.00 0.40 -1.65 0.00 0.00 177.43 177.53 2fea h ILE 22 N 0.00 1.26 -0.50 2.81 2.04 -1.99 -0.53 117.51 120.60 2fea h ILE 22 Ca -0.00 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.06 2fea h ILE 22 Cb 0.56 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2fea h ILE 22 CO 0.04 0.23 0.29 0.40 0.00 0.00 0.00 178.15 179.11 2fea h ILE 23 N -0.18 1.04 -0.55 -0.67 1.08 -1.93 -2.82 117.51 113.48 2fea h ILE 23 Ca 0.02 -0.20 -0.11 0.00 -0.39 0.00 0.00 64.86 64.17 2fea h ILE 23 Cb 0.36 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 2fea h ILE 23 CO 0.00 0.11 -0.10 0.78 -0.69 0.00 0.00 178.15 178.25 2fea h ASN 24 N 0.58 1.04 0.00 1.72 2.35 -1.30 0.65 115.58 120.62 2fea h ASN 24 Ca 0.20 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2fea h ASN 24 Cb 0.03 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.12 2fea h ASN 24 CO -0.10 1.15 0.00 -0.38 -1.65 0.00 0.00 177.43 176.45 2fea n ILE 25 N -4.15 0.00 0.00 2.81 5.41 -0.22 -2.03 119.36 121.18 2fea n ILE 25 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2fea n ILE 25 Cb 0.40 -0.04 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 2fea n ILE 25 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2fea n LYS 27 N 0.30 0.00 0.06 0.38 5.02 0.22 -0.80 118.16 123.33 2fea n LYS 27 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2fea n LYS 27 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 2fea n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2fea h THR 28 N 0.00 0.94 0.00 -0.18 2.02 -1.66 -3.42 112.91 110.61 2fea h THR 28 Ca 0.00 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.61 2fea h THR 28 Cb 0.00 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2fea h THR 28 CO 0.00 0.84 -0.93 0.49 0.37 0.00 0.00 175.52 176.29 2fea n PHE 29 N -3.52 0.00 -3.40 3.16 3.72 0.02 -5.08 117.46 112.36 2fea n PHE 29 Ca -0.23 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.86 2fea n PHE 29 Cb 1.06 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.56 2fea n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fea s ALA 30 N -1.90 3.59 0.75 4.37 0.00 -1.26 -4.98 121.76 122.33 2fea s ALA 30 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 2fea s ALA 30 Cb 0.00 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.77 2fea s ALA 30 CO 0.00 0.46 1.08 -1.25 0.00 0.00 0.00 175.76 176.04 2fea s PRO 31 N -2.97 2.45 0.60 0.00 0.04 -1.26 -4.84 135.00 129.02 2fea s PRO 31 Ca 0.46 0.93 0.28 0.00 0.04 0.00 0.00 61.00 62.72 2fea s PRO 31 Cb -0.11 -1.94 1.44 0.00 0.04 0.00 0.00 34.50 33.93 2fea s PRO 31 CO 0.23 -1.44 1.85 -1.35 0.04 0.00 0.00 177.00 176.33 2fea h PRO 32 N -0.97 0.00 -0.50 0.56 0.11 -2.00 -2.13 132.00 127.07 2fea h PRO 32 Ca -0.45 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.81 2fea h PRO 32 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2fea h PRO 32 CO 0.56 0.00 0.50 1.49 -0.21 0.00 0.00 178.00 180.33 2fea h GLU 33 N 0.00 0.00 -1.89 1.05 4.57 -2.05 -3.36 114.58 112.90 2fea h GLU 33 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2fea h GLU 33 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2fea h GLU 33 CO -0.00 0.00 0.00 -2.67 -1.18 0.00 0.00 179.01 175.16 2fea n TRP 34 N -3.80 0.00 0.00 0.92 4.27 -0.80 -2.73 117.44 115.30 2fea n TRP 34 Ca 0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.70 2fea n TRP 34 Cb 0.70 -0.14 0.00 0.00 -1.36 0.00 0.00 31.31 30.50 2fea n TRP 34 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2fea n ALA 36 N 1.35 0.00 -0.13 -1.67 0.00 -1.26 -0.75 120.51 118.05 2fea n ALA 36 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2fea n ALA 36 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2fea n ALA 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2fea h LEU 37 N 0.00 0.55 -0.33 0.00 3.38 -1.88 -0.72 115.31 116.31 2fea h LEU 37 Ca 0.00 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2fea h LEU 37 Cb 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2fea h LEU 37 CO 0.00 0.60 0.10 0.50 0.09 0.00 0.00 178.44 179.73 2fea h LYS 38 N 0.47 0.23 -0.35 1.13 3.11 -1.24 -1.96 116.57 117.96 2fea h LYS 38 Ca 0.12 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 2fea h LYS 38 Cb 0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 2fea h LYS 38 CO -0.01 0.15 0.04 -0.44 -2.81 0.00 0.00 179.45 176.39 2fea h ASP 39 N 0.24 0.49 -0.14 4.20 3.32 -1.79 -0.53 116.42 122.21 2fea h ASP 39 Ca 0.15 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2fea h ASP 39 Cb 0.14 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2fea h ASP 39 CO -0.17 0.53 -0.14 1.23 -1.72 0.00 0.00 179.24 178.97 2fea h GLY 40 N 0.80 0.55 1.00 2.75 0.00 -0.80 -0.50 103.07 106.87 2fea h GLY 40 Ca 0.12 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2fea h GLY 40 CO 0.00 0.36 -0.39 -2.08 0.00 0.00 0.00 176.54 174.44 2fea h VAL 41 N 0.47 1.30 -0.78 4.60 2.07 -0.55 0.29 116.25 123.64 2fea h VAL 41 Ca 0.08 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.02 2fea h VAL 41 Cb 0.52 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2fea h VAL 41 CO 0.03 0.50 0.52 -0.07 0.02 0.00 0.00 177.57 178.57 2fea h LEU 42 N 0.45 0.90 -0.01 2.57 3.38 -0.98 -2.37 115.31 119.25 2fea h LEU 42 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fea h LEU 42 Cb 0.98 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2fea h LEU 42 CO 0.09 0.66 -0.04 -1.54 0.09 0.00 0.00 178.44 177.70 2fea n SER 43 N -4.53 0.06 -0.86 -0.43 3.41 -0.21 -4.91 113.62 106.15 2fea n SER 43 Ca 0.08 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.81 2fea n SER 43 Cb 0.02 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 2fea n SER 43 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2fea n LYS 44 N -1.41 -0.70 0.06 4.33 5.02 -0.89 -4.92 118.16 119.64 2fea n LYS 44 Ca 0.09 0.71 -0.11 0.00 -2.02 0.00 0.00 58.31 56.98 2fea n LYS 44 Cb 0.31 -4.66 -0.01 0.00 -0.02 0.00 0.00 35.03 30.65 2fea n LYS 44 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2fea h THR 45 N 0.00 1.39 -4.27 -0.18 2.02 -0.78 -3.44 112.91 107.65 2fea h THR 45 Ca -0.21 -2.28 -0.69 0.00 0.77 0.00 0.00 66.41 64.00 2fea h THR 45 Cb 0.81 2.24 -0.26 0.00 -1.74 0.00 0.00 68.15 69.21 2fea h THR 45 CO 0.28 0.68 -0.85 -0.76 0.37 0.00 0.00 175.52 175.24 2fea s LEU 46 N -7.86 2.31 0.82 2.58 1.43 -0.07 -4.97 118.68 112.91 2fea s LEU 46 Ca -0.06 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2fea s LEU 46 Cb 0.10 -1.39 0.09 0.00 0.03 0.00 0.00 46.19 45.02 2fea s LEU 46 CO 0.85 0.28 1.12 -0.94 0.23 0.00 0.00 176.35 177.89 2fea s SER 47 N -1.08 3.95 0.15 2.29 1.04 -1.26 -4.13 113.70 114.67 2fea s SER 47 Ca 0.12 1.99 -0.18 0.00 0.48 0.00 0.00 55.95 58.36 2fea s SER 47 Cb -0.10 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.54 2fea s SER 47 CO 0.02 -2.41 1.68 0.40 0.98 0.00 0.00 173.24 173.91 2fea h ILE 48 N -1.31 0.67 -0.13 -1.02 2.04 -1.82 -0.20 117.51 115.74 2fea h ILE 48 Ca -0.44 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2fea h ILE 48 Cb 1.25 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2fea h ILE 48 CO 0.48 0.00 -0.07 0.50 0.00 0.00 0.00 178.15 179.06 2fea h LYS 49 N 0.01 -0.06 -0.33 2.37 3.64 -1.51 0.40 116.57 121.09 2fea h LYS 49 Ca 0.16 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2fea h LYS 49 Cb 0.25 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2fea h LYS 49 CO -0.34 -0.04 0.08 1.49 -2.27 0.00 0.00 179.45 178.37 2fea h GLU 50 N -0.06 0.52 -0.03 1.90 4.57 -1.76 -1.29 114.58 118.43 2fea h GLU 50 Ca 0.07 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2fea h GLU 50 Cb 0.17 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2fea h GLU 50 CO -0.17 0.58 -0.00 0.78 -1.18 0.00 0.00 179.01 179.02 2fea h GLY 51 N 0.37 0.06 1.20 1.92 0.00 -0.86 -1.26 103.07 104.50 2fea h GLY 51 Ca 0.10 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2fea h GLY 51 CO 0.00 0.04 0.00 -2.08 0.00 0.00 0.00 176.54 174.50 2fea h VAL 52 N -0.27 1.26 -0.28 4.60 2.07 -0.99 -2.88 116.25 119.76 2fea h VAL 52 Ca 0.01 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2fea h VAL 52 Cb 0.34 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2fea h VAL 52 CO 0.00 0.40 0.14 1.23 0.02 0.00 0.00 177.57 179.36 2fea h GLY 53 N 1.00 0.42 -2.09 2.17 0.00 -1.19 -1.50 103.07 101.88 2fea h GLY 53 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2fea h GLY 53 CO 0.03 0.19 0.00 0.54 0.00 0.00 0.00 176.54 177.29 2fea n ARG 54 N -4.82 0.31 0.00 4.80 1.74 -0.48 -1.17 116.66 117.05 2fea n ARG 54 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2fea n ARG 54 Cb 0.09 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2fea n ARG 54 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2fea n PHE 56 N 0.90 0.00 0.59 -1.55 3.72 -0.56 -2.82 117.46 117.73 2fea n PHE 56 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 2fea n PHE 56 Cb 0.16 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.04 2fea n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fea n GLY 57 N 0.00 -0.92 0.22 1.37 0.00 -0.31 -1.58 105.19 103.97 2fea n GLY 57 Ca 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2fea n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fea h LEU 58 N 0.00 0.00 -8.98 0.99 3.38 -1.80 -3.43 115.31 105.46 2fea h LEU 58 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2fea h LEU 58 Cb 0.21 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.79 2fea h LEU 58 CO 0.00 0.00 -0.54 -0.76 0.09 0.00 0.00 178.44 177.23 2fea s LEU 59 N -5.77 3.90 0.31 1.67 1.43 -0.61 -4.87 118.68 114.73 2fea s LEU 59 Ca 0.04 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 2fea s LEU 59 Cb 0.08 -2.04 -0.12 0.00 0.03 0.00 0.00 46.19 44.15 2fea s LEU 59 CO 0.56 0.06 1.46 -0.81 0.23 0.00 0.00 176.35 177.85 2fea n PRO 60 N 4.31 2.41 0.32 1.29 -0.04 -1.26 -1.20 135.00 140.83 2fea n PRO 60 Ca -0.15 0.85 0.21 0.00 -0.04 0.00 0.00 63.50 64.36 2fea n PRO 60 Cb 0.52 -2.55 1.10 0.00 -0.04 0.00 0.00 33.50 32.53 2fea n PRO 60 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2fea h SER 61 N 3.76 0.00 0.16 3.54 0.02 -1.00 -1.68 113.55 118.35 2fea h SER 61 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2fea h SER 61 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2fea h SER 61 CO 0.71 0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.87 2fea n SER 62 N -3.21 0.31 -0.24 3.07 3.41 -1.26 -1.54 113.62 114.16 2fea n SER 62 Ca -0.03 0.63 0.15 0.00 -0.26 0.00 0.00 58.87 59.36 2fea n SER 62 Cb 0.11 -0.67 0.72 0.00 -0.26 0.00 0.00 64.21 64.10 2fea n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fea n LEU 63 N -1.90 0.76 -0.38 1.04 4.77 -0.63 -4.61 117.00 116.04 2fea n LEU 63 Ca 0.00 -0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 55.67 2fea n LEU 63 Cb 0.06 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2fea n LEU 63 CO 0.08 0.13 0.48 1.17 -1.33 0.00 0.00 177.39 177.92 2fea n LYS 64 N -0.43 -0.35 -0.06 3.23 4.81 -0.59 -1.08 118.16 123.68 2fea n LYS 64 Ca 0.21 1.43 -0.13 0.00 -0.87 0.00 0.00 58.31 58.94 2fea n LYS 64 Cb 0.24 -2.11 -0.01 0.00 0.02 0.00 0.00 35.03 33.17 2fea n LYS 64 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2fea h GLU 65 N 0.00 0.81 -0.80 1.64 4.39 -1.87 -0.62 114.58 118.14 2fea h GLU 65 Ca 0.21 -0.49 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2fea h GLU 65 Cb 0.45 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 2fea h GLU 65 CO -0.90 1.13 0.41 0.93 -1.16 0.00 0.00 179.01 179.42 2fea h GLU 66 N 0.63 1.13 0.06 2.33 5.08 -1.72 0.44 114.58 122.53 2fea h GLU 66 Ca 0.02 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2fea h GLU 66 Cb 1.11 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2fea h GLU 66 CO 0.11 0.85 -0.03 0.82 -1.00 0.00 0.00 179.01 179.76 2fea h ILE 67 N 1.11 1.18 -0.54 3.13 2.04 -0.93 -0.21 117.51 123.28 2fea h ILE 67 Ca 0.28 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.38 2fea h ILE 67 Cb 0.07 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 2fea h ILE 67 CO -0.04 0.21 0.23 0.74 0.00 0.00 0.00 178.15 179.29 2fea h THR 68 N -0.45 0.87 -0.46 -0.27 2.02 -1.03 -0.68 112.91 112.90 2fea h THR 68 Ca -0.01 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2fea h THR 68 Cb 0.40 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2fea h THR 68 CO 0.01 0.08 0.14 0.28 0.37 0.00 0.00 175.52 176.41 2fea h SER 69 N 0.44 0.67 -0.18 4.18 0.02 -0.89 -2.24 113.55 115.56 2fea h SER 69 Ca 0.26 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2fea h SER 69 Cb 0.24 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 2fea h SER 69 CO -0.23 0.70 -0.09 0.15 -1.14 0.00 0.00 176.83 176.22 2fea h PHE 70 N 0.61 -0.21 -0.42 3.45 3.57 -0.50 -2.80 116.94 120.63 2fea h PHE 70 Ca 0.15 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 2fea h PHE 70 Cb 0.27 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2fea h PHE 70 CO 0.01 -0.14 -0.09 0.28 -2.23 0.00 0.00 178.31 176.14 2fea h VAL 71 N -0.07 1.27 0.00 1.41 2.07 -0.95 -0.15 116.25 119.83 2fea h VAL 71 Ca 0.10 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 2fea h VAL 71 Cb 0.22 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2fea h VAL 71 CO -0.23 0.40 -0.24 -0.07 0.02 0.00 0.00 177.57 177.45 2fea h LEU 72 N 0.62 0.00 0.00 2.57 3.38 -1.41 0.29 115.31 120.76 2fea h LEU 72 Ca 0.11 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 2fea h LEU 72 Cb 0.61 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2fea h LEU 72 CO 0.04 0.24 -1.42 -0.08 0.09 0.00 0.00 178.44 177.31 2fea h GLU 73 N 0.00 0.00 0.21 1.13 4.22 -1.38 -3.38 114.58 115.39 2fea h GLU 73 Ca -0.00 0.00 -0.30 0.00 0.08 0.00 0.00 59.36 59.14 2fea h GLU 73 Cb 0.53 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.81 2fea h GLU 73 CO 0.03 0.43 -1.36 0.22 -2.18 0.00 0.00 179.01 176.15 2fea h ASP 74 N 0.00 0.70 -3.61 1.04 3.58 -0.60 -3.47 116.42 114.05 2fea h ASP 74 Ca -0.18 -0.93 -0.51 0.00 0.42 0.00 0.00 57.03 55.83 2fea h ASP 74 Cb 1.74 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 42.57 2fea h ASP 74 CO 0.07 1.64 0.50 0.00 -2.88 0.00 0.00 179.24 178.57 2fea s ALA 75 N -2.55 3.40 -0.04 -0.78 0.00 0.98 -5.04 121.76 117.74 2fea s ALA 75 Ca -0.12 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.76 2fea s ALA 75 Cb 0.03 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2fea s ALA 75 CO 0.89 -0.25 -0.15 0.15 0.00 0.00 0.00 175.76 176.41 2fea s LYS 76 N -0.66 1.60 0.14 0.00 -0.14 -1.26 -4.93 119.74 114.49 2fea s LYS 76 Ca 0.49 -0.52 -0.25 0.00 -1.36 0.00 0.00 55.97 54.33 2fea s LYS 76 Cb -0.31 -1.40 -0.08 0.00 -1.68 0.00 0.00 37.83 34.36 2fea s LYS 76 CO 0.37 0.19 0.75 0.42 -0.76 0.00 0.00 175.35 176.32 2fea s ILE 77 N 0.14 4.45 0.30 2.17 -1.09 -1.26 -4.24 121.20 121.67 2fea s ILE 77 Ca -0.05 1.64 -0.29 0.00 -2.23 0.00 0.00 60.65 59.72 2fea s ILE 77 Cb -0.11 -4.11 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 2fea s ILE 77 CO 0.02 0.51 1.22 -0.60 -1.23 0.00 0.00 174.94 174.87 2fea s ARG 78 N -1.03 4.47 0.25 2.79 3.52 0.15 -4.92 118.95 124.18 2fea s ARG 78 Ca 0.35 2.04 -0.31 0.00 -0.13 0.00 0.00 55.73 57.68 2fea s ARG 78 Cb -0.22 -3.13 -0.14 0.00 -1.56 0.00 0.00 34.95 29.90 2fea s ARG 78 CO 0.25 -0.04 1.33 0.39 -0.81 0.00 0.00 175.30 176.43 2fea n GLU 79 N 1.14 1.88 -0.23 5.12 -0.58 -1.26 -2.50 120.64 124.21 2fea n GLU 79 Ca 0.00 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 2fea n GLU 79 Cb 0.43 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 2fea n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fea n GLY 80 N 1.90 0.97 0.10 0.62 0.00 -1.26 -1.25 105.19 106.27 2fea n GLY 80 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2fea n GLY 80 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2fea h PHE 81 N 0.00 0.23 -0.56 1.61 3.57 -1.81 -1.21 116.94 118.78 2fea h PHE 81 Ca 0.00 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.54 2fea h PHE 81 Cb 0.00 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 2fea h PHE 81 CO 0.00 0.43 0.23 0.00 -2.23 0.00 0.00 178.31 176.74 2fea h ARG 82 N -0.03 0.42 -0.20 1.11 3.08 -1.93 -1.10 114.38 115.74 2fea h ARG 82 Ca 0.04 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2fea h ARG 82 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2fea h ARG 82 CO 0.00 0.28 -0.16 0.93 -1.07 0.00 0.00 179.97 179.95 2fea h GLU 83 N 0.44 0.33 -0.33 0.04 3.07 -1.95 -1.50 114.58 114.68 2fea h GLU 83 Ca 0.27 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.99 2fea h GLU 83 Cb 0.27 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2fea h GLU 83 CO -0.24 0.50 0.03 0.35 -1.40 0.00 0.00 179.01 178.24 2fea h PHE 84 N 0.31 0.61 -0.22 4.33 3.57 -0.51 -1.56 116.94 123.47 2fea h PHE 84 Ca 0.06 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 2fea h PHE 84 Cb 0.48 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2fea h PHE 84 CO 0.01 0.66 -0.29 0.28 -2.23 0.00 0.00 178.31 176.74 2fea h VAL 85 N 0.38 1.27 -0.83 1.41 2.07 -0.94 -1.51 116.25 118.11 2fea h VAL 85 Ca 0.10 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2fea h VAL 85 Cb 0.40 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2fea h VAL 85 CO 0.01 0.42 0.46 0.00 0.02 0.00 0.00 177.57 178.48 2fea h ALA 86 N 1.31 1.07 -0.63 1.67 0.00 -1.13 -0.07 119.26 121.48 2fea h ALA 86 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2fea h ALA 86 Cb 0.71 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2fea h ALA 86 CO 0.05 0.58 0.14 0.35 0.00 0.00 0.00 179.25 180.37 2fea h PHE 87 N 1.16 1.07 -0.19 0.00 3.57 -0.92 0.20 116.94 121.83 2fea h PHE 87 Ca 0.29 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2fea h PHE 87 Cb 0.03 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 2fea h PHE 87 CO 0.00 0.90 -0.04 0.82 -2.23 0.00 0.00 178.31 177.76 2fea h ILE 88 N 0.94 0.81 -0.33 1.41 1.08 -0.78 -2.26 117.51 118.37 2fea h ILE 88 Ca 0.20 -0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.62 2fea h ILE 88 Cb 0.37 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 2fea h ILE 88 CO 0.00 0.00 0.05 0.78 -0.69 0.00 0.00 178.15 178.30 2fea h ASN 89 N 0.01 0.53 -0.97 1.72 2.35 -0.83 0.23 115.58 118.62 2fea h ASN 89 Ca 0.09 -0.26 0.15 0.00 -0.55 0.00 0.00 56.30 55.73 2fea h ASN 89 Cb 0.14 -0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.28 2fea h ASN 89 CO -0.19 0.66 0.61 -0.08 -1.65 0.00 0.00 177.43 176.78 2fea h GLU 90 N 0.38 0.81 -0.18 0.81 4.81 -0.45 -2.32 114.58 118.44 2fea h GLU 90 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2fea h GLU 90 Cb 0.36 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2fea h GLU 90 CO 0.01 0.53 0.00 0.72 -0.73 0.00 0.00 179.01 179.54 2fea n HIS 91 N -4.63 0.21 -3.79 0.92 8.25 -0.87 -4.98 115.22 110.34 2fea n HIS 91 Ca 0.20 -0.12 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 2fea n HIS 91 Cb 0.45 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.60 2fea n HIS 91 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2fea n GLU 92 N 1.22 -5.67 -2.87 -0.41 1.02 -0.06 -4.96 120.64 108.90 2fea n GLU 92 Ca 0.14 0.64 -0.41 0.00 -0.02 0.00 0.00 57.16 57.52 2fea n GLU 92 Cb 0.53 -5.45 -0.04 0.00 -0.02 0.00 0.00 31.44 26.46 2fea n GLU 92 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fea s ILE 93 N -3.42 4.93 0.23 -3.67 1.01 -0.45 -5.02 121.20 114.81 2fea s ILE 93 Ca 0.43 1.74 -0.32 0.00 0.00 0.00 0.00 60.65 62.50 2fea s ILE 93 Cb -0.21 -4.18 -0.13 0.00 0.01 0.00 0.00 42.46 37.96 2fea s ILE 93 CO 0.81 0.16 1.55 -2.65 0.00 0.00 0.00 174.94 174.81 2fea n PRO 94 N 4.21 2.37 -3.75 2.79 -0.02 -1.26 -4.78 135.00 134.56 2fea n PRO 94 Ca 0.03 0.85 -0.13 0.00 -2.02 0.00 0.00 63.50 62.23 2fea n PRO 94 Cb 0.50 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 2fea n PRO 94 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2fea s PHE 95 N 0.38 -0.28 -0.04 6.00 5.36 -1.26 -1.36 117.98 126.78 2fea s PHE 95 Ca 0.71 0.68 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 2fea s PHE 95 Cb -0.59 0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.15 2fea s PHE 95 CO 0.44 -0.19 0.09 0.71 -1.46 0.00 0.00 175.22 174.80 2fea s TYR 96 N 0.92 -0.08 -0.27 10.12 2.02 -0.61 -4.79 117.35 124.66 2fea s TYR 96 Ca -0.07 0.27 -0.16 0.00 -0.37 0.00 0.00 57.07 56.74 2fea s TYR 96 Cb -0.08 -0.07 -0.03 0.00 -0.40 0.00 0.00 41.96 41.38 2fea s TYR 96 CO -0.06 -0.09 0.44 0.08 -1.57 0.00 0.00 175.55 174.36 2fea s VAL 97 N 0.65 5.12 -0.18 0.71 1.01 0.10 -0.93 120.40 126.89 2fea s VAL 97 Ca -0.05 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.64 2fea s VAL 97 Cb -0.07 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2fea s VAL 97 CO -0.03 0.11 -0.12 -0.63 0.00 0.00 0.00 175.10 174.44 2fea s ILE 98 N 2.19 1.60 -0.06 2.22 1.01 -0.51 -0.39 121.20 127.27 2fea s ILE 98 Ca 0.18 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 2fea s ILE 98 Cb -0.16 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2fea s ILE 98 CO 0.10 0.28 0.20 -0.55 0.00 0.00 0.00 174.94 174.97 2fea s SER 99 N 1.44 -0.16 0.00 3.58 0.15 -0.12 -4.15 113.70 114.44 2fea s SER 99 Ca 0.01 0.27 0.30 0.00 0.70 0.00 0.00 55.95 57.23 2fea s SER 99 Cb -0.15 0.37 1.64 0.00 -1.71 0.00 0.00 66.02 66.18 2fea s SER 99 CO -0.09 -0.16 2.08 0.61 1.20 0.00 0.00 173.24 176.88 2fea n GLY 100 N 2.55 -0.72 0.00 9.45 0.00 -1.26 -3.99 105.19 111.21 2fea n GLY 100 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2fea n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fea n GLY 101 N 1.04 -0.04 0.03 -0.02 0.00 -1.26 -4.63 105.19 100.32 2fea n GLY 101 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2fea n GLY 101 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fea n ASP 103 N 0.00 2.22 0.27 1.61 5.68 -0.34 -1.23 116.55 124.76 2fea n ASP 103 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 2fea n ASP 103 Cb 0.00 1.11 0.86 0.00 -1.14 0.00 0.00 41.12 41.95 2fea n ASP 103 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 2fea h PHE 104 N 0.00 0.00 0.00 2.11 -5.15 -1.91 -0.81 116.94 111.18 2fea h PHE 104 Ca -0.17 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.49 2fea h PHE 104 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.36 2fea h PHE 104 CO 0.00 0.00 -1.40 1.97 -2.00 0.00 0.00 178.31 176.88 2fea n PHE 105 N -2.87 0.00 -0.15 6.09 1.16 -1.26 -4.58 117.46 115.85 2fea n PHE 105 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.48 2fea n PHE 105 Cb 0.17 -0.28 0.00 0.00 -1.61 0.00 0.00 39.48 37.76 2fea n PHE 105 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2fea h VAL 106 N 0.00 1.21 0.45 1.97 2.07 -1.92 -2.43 116.25 117.59 2fea h VAL 106 Ca -0.16 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2fea h VAL 106 Cb 1.32 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2fea h VAL 106 CO -0.00 0.24 -0.22 1.88 0.02 0.00 0.00 177.57 179.50 2fea h TYR 107 N 0.57 -0.56 -0.71 1.57 -1.99 -1.43 -1.66 116.97 112.76 2fea h TYR 107 Ca 0.15 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.88 2fea h TYR 107 Cb 0.22 0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.09 2fea h TYR 107 CO 0.01 -0.25 0.47 -1.35 -0.00 0.00 0.00 178.16 177.03 2fea h PRO 108 N -0.83 0.89 0.00 4.88 0.11 -1.74 -0.38 132.00 134.93 2fea h PRO 108 Ca -0.06 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 2fea h PRO 108 Cb 0.56 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2fea h PRO 108 CO 0.10 0.59 -0.24 -0.07 -0.21 0.00 0.00 178.00 178.17 2fea h LEU 109 N 0.91 0.00 -1.78 2.35 3.38 -1.24 -2.67 115.31 116.27 2fea h LEU 109 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2fea h LEU 109 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2fea h LEU 109 CO -0.07 0.24 -0.03 0.18 0.09 0.00 0.00 178.44 178.85 2fea n LEU 110 N -3.75 2.79 -4.73 1.67 4.77 -0.53 -4.95 117.00 112.26 2fea n LEU 110 Ca -0.01 -0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 54.61 2fea n LEU 110 Cb 0.34 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2fea n LEU 110 CO 0.34 0.47 1.29 1.21 -1.33 0.00 0.00 177.39 179.37 2fea n GLU 111 N 1.15 2.68 -0.97 3.23 2.13 -0.26 -0.36 120.64 128.24 2fea n GLU 111 Ca 0.14 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.92 2fea n GLU 111 Cb 0.57 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 29.51 2fea n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fea n GLY 112 N 3.05 0.70 1.23 8.31 0.00 -1.26 -4.81 105.19 112.41 2fea n GLY 112 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2fea n GLY 112 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fea n ILE 113 N -2.41 0.73 -4.80 -0.61 5.41 0.51 -5.06 119.36 113.13 2fea n ILE 113 Ca 0.00 0.24 -0.33 0.00 1.00 0.00 0.00 62.75 63.66 2fea n ILE 113 Cb 0.02 -1.35 -0.16 0.00 -0.71 0.00 0.00 39.64 37.45 2fea n ILE 113 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fea s VAL 114 N -2.00 2.39 0.64 1.39 1.01 -0.30 -5.01 120.40 118.52 2fea s VAL 114 Ca 0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2fea s VAL 114 Cb 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2fea s VAL 114 CO 0.00 0.54 1.16 -1.61 0.00 0.00 0.00 175.10 175.19 2fea s GLU 115 N 0.61 2.77 0.43 2.72 8.01 -1.26 -4.66 118.70 127.32 2fea s GLU 115 Ca -0.11 1.64 0.19 0.00 0.01 0.00 0.00 54.97 56.71 2fea s GLU 115 Cb -0.16 -1.92 1.00 0.00 -4.31 0.00 0.00 34.13 28.73 2fea s GLU 115 CO 0.03 -1.32 1.91 0.87 0.01 0.00 0.00 175.26 176.76 2fea h LYS 116 N 0.37 0.00 0.00 1.61 1.57 -1.98 -1.83 116.57 116.31 2fea h LYS 116 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2fea h LYS 116 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2fea h LYS 116 CO 0.54 0.26 0.00 -0.40 -0.57 0.00 0.00 179.45 179.28 2fea n ASP 117 N -3.85 0.21 -0.74 0.86 5.75 -1.26 -1.92 116.55 115.60 2fea n ASP 117 Ca -0.02 0.55 0.12 0.00 -0.01 0.00 0.00 54.79 55.43 2fea n ASP 117 Cb 0.35 -0.59 0.17 0.00 -1.03 0.00 0.00 41.12 40.01 2fea n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2fea n ARG 118 N -1.73 1.90 -3.75 0.11 1.74 -0.69 -4.90 116.66 109.34 2fea n ARG 118 Ca 0.04 -1.49 -0.37 0.00 -0.77 0.00 0.00 57.85 55.25 2fea n ARG 118 Cb 0.22 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.06 2fea n ARG 118 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2fea s ILE 119 N -2.13 4.02 -0.44 0.55 1.01 -0.81 -0.72 121.20 122.68 2fea s ILE 119 Ca 0.27 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 2fea s ILE 119 Cb 0.20 -3.08 0.12 0.00 0.01 0.00 0.00 42.46 39.70 2fea s ILE 119 CO 0.38 0.06 0.28 -0.31 0.00 0.00 0.00 174.94 175.34 2fea s TYR 120 N 1.51 3.51 0.34 3.97 1.51 0.47 -4.97 117.35 123.68 2fea s TYR 120 Ca 0.03 -2.16 0.04 0.00 -1.01 0.00 0.00 57.07 53.97 2fea s TYR 120 Cb -0.17 -3.36 -0.02 0.00 -0.11 0.00 0.00 41.96 38.29 2fea s TYR 120 CO 0.03 -0.98 0.36 0.00 -1.11 0.00 0.00 175.55 173.84 2fea s ASN 122 N -3.34 5.20 -0.15 0.00 0.01 -0.36 -4.69 114.94 111.60 2fea s ASN 122 Ca 0.37 0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 2fea s ASN 122 Cb 0.01 -0.91 0.01 0.00 0.41 0.00 0.00 41.25 40.78 2fea s ASN 122 CO 0.26 -1.22 -0.21 -2.28 -1.51 0.00 0.00 177.10 172.15 2fea s HIS 123 N -2.84 2.67 -0.18 2.20 5.65 -0.80 -1.19 115.29 120.79 2fea s HIS 123 Ca 0.58 -1.43 -0.14 0.00 0.25 0.00 0.00 55.06 54.32 2fea s HIS 123 Cb -0.10 -1.83 -0.04 0.00 -1.18 0.00 0.00 32.58 29.42 2fea s HIS 123 CO 0.39 -0.67 0.32 0.00 -0.65 0.00 0.00 174.74 174.12 2fea s ALA 124 N 0.99 3.58 -0.06 1.58 0.00 -1.26 -0.43 121.76 126.16 2fea s ALA 124 Ca -0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 2fea s ALA 124 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2fea s ALA 124 CO -0.06 -0.07 0.10 0.45 0.00 0.00 0.00 175.76 176.18 2fea s SER 125 N 0.73 5.95 -0.11 0.00 0.15 0.24 -4.92 113.70 115.74 2fea s SER 125 Ca 0.16 0.29 0.15 0.00 0.70 0.00 0.00 55.95 57.26 2fea s SER 125 Cb -0.14 -1.81 0.26 0.00 -1.71 0.00 0.00 66.02 62.63 2fea s SER 125 CO 0.05 0.34 1.15 0.49 1.20 0.00 0.00 173.24 176.47 2fea n PHE 126 N 1.59 0.10 0.39 3.44 3.72 -1.26 -1.47 117.46 123.98 2fea n PHE 126 Ca -0.16 -0.89 0.12 0.00 -0.05 0.00 0.00 57.45 56.47 2fea n PHE 126 Cb 0.54 -0.15 0.20 0.00 -0.94 0.00 0.00 39.48 39.13 2fea n PHE 126 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2fea h ASP 127 N 0.23 0.00 -0.89 4.37 3.32 -1.95 -3.46 116.42 118.03 2fea h ASP 127 Ca 0.00 -0.05 -0.49 0.00 0.02 0.00 0.00 57.03 56.51 2fea h ASP 127 Cb 0.95 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.52 2fea h ASP 127 CO 0.02 0.03 -0.15 0.20 -1.72 0.00 0.00 179.24 177.62 2fea s ASN 128 N -5.13 5.14 0.24 6.45 0.02 -1.26 -5.02 114.94 115.38 2fea s ASN 128 Ca 0.06 -0.82 -0.06 0.00 -1.02 0.00 0.00 52.86 51.03 2fea s ASN 128 Cb 0.10 0.13 0.34 0.00 0.02 0.00 0.00 41.25 41.84 2fea s ASN 128 CO 0.68 -1.21 1.83 0.44 0.02 0.00 0.00 177.10 178.87 2fea h ASP 129 N 0.33 0.76 -3.77 -1.22 3.32 -1.98 -3.39 116.42 110.47 2fea h ASP 129 Ca -0.32 0.03 -0.68 0.00 0.02 0.00 0.00 57.03 56.07 2fea h ASP 129 Cb 1.29 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.51 2fea h ASP 129 CO 0.43 0.47 -0.82 -0.31 -1.72 0.00 0.00 179.24 177.29 2fea s TYR 130 N -6.06 2.46 0.26 4.55 2.02 -1.26 -0.52 117.35 118.79 2fea s TYR 130 Ca -0.13 -0.30 -0.31 0.00 -0.37 0.00 0.00 57.07 55.96 2fea s TYR 130 Cb 0.18 -1.31 -0.12 0.00 -0.40 0.00 0.00 41.96 40.31 2fea s TYR 130 CO 0.78 0.37 1.54 -0.89 -1.57 0.00 0.00 175.55 175.78 2fea n ILE 131 N 0.82 0.89 -5.08 2.71 5.41 -0.34 -4.67 119.36 119.09 2fea n ILE 131 Ca -0.16 -0.22 -0.32 0.00 1.00 0.00 0.00 62.75 63.05 2fea n ILE 131 Cb 0.53 -1.77 -0.15 0.00 -0.71 0.00 0.00 39.64 37.54 2fea n ILE 131 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2fea s HIS 132 N 0.09 2.55 -0.15 1.39 5.65 -0.54 -3.82 115.29 120.46 2fea s HIS 132 Ca 0.67 -0.44 -0.05 0.00 0.25 0.00 0.00 55.06 55.49 2fea s HIS 132 Cb -0.56 -1.62 -0.03 0.00 -1.18 0.00 0.00 32.58 29.19 2fea s HIS 132 CO 0.47 -0.03 0.02 0.42 -0.65 0.00 0.00 174.74 174.97 2fea s ILE 133 N -0.42 4.40 0.04 0.89 -1.09 -1.26 0.79 121.20 124.55 2fea s ILE 133 Ca 0.04 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 2fea s ILE 133 Cb -0.12 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 2fea s ILE 133 CO 0.02 0.51 0.14 -1.81 -1.23 0.00 0.00 174.94 172.57 2fea s ASP 134 N 0.08 6.00 -0.59 3.58 1.01 0.43 -4.98 116.67 122.20 2fea s ASP 134 Ca 0.03 0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.52 2fea s ASP 134 Cb -0.13 -1.77 0.18 0.00 1.01 0.00 0.00 42.92 42.21 2fea s ASP 134 CO 0.02 0.21 0.48 0.79 0.21 0.00 0.00 175.17 176.87 2fea n TRP 135 N 0.63 1.84 0.71 4.23 7.02 -1.26 -1.90 117.44 128.71 2fea n TRP 135 Ca -0.09 -3.95 0.10 0.00 -1.02 0.00 0.00 57.50 52.54 2fea n TRP 135 Cb 0.52 -0.34 0.43 0.00 -2.42 0.00 0.00 31.31 29.50 2fea n TRP 135 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2fea n PRO 136 N 2.06 0.04 -2.46 -0.99 -0.04 -1.26 -3.46 135.00 128.89 2fea n PRO 136 Ca 0.24 0.15 -0.24 0.00 -0.04 0.00 0.00 63.50 63.62 2fea n PRO 136 Cb 0.41 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 2fea n PRO 136 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2fea n HIS 137 N -1.47 3.01 -1.94 0.54 8.25 -1.26 -5.08 115.22 117.26 2fea n HIS 137 Ca 0.05 -2.96 -0.29 0.00 -0.26 0.00 0.00 57.72 54.27 2fea n HIS 137 Cb 0.22 -0.15 0.11 0.00 1.12 0.00 0.00 29.99 31.29 2fea n HIS 137 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2fea s SER 138 N -3.50 4.19 0.14 0.41 1.04 -1.19 -0.65 113.70 114.14 2fea s SER 138 Ca 0.45 0.61 -0.35 0.00 0.48 0.00 0.00 55.95 57.15 2fea s SER 138 Cb 0.41 -1.00 -0.16 0.00 0.10 0.00 0.00 66.02 65.37 2fea s SER 138 CO -0.13 -2.08 1.35 0.00 0.98 0.00 0.00 173.24 173.36 2fea s LYS 140 N 0.26 1.32 7.86 0.00 1.02 -1.26 -5.00 119.74 123.94 2fea s LYS 140 Ca 0.79 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2fea s LYS 140 Cb -0.84 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.00 2fea s LYS 140 CO 0.47 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2fea n GLY 141 N -0.40 3.37 0.27 -3.33 0.00 -1.26 -2.72 105.19 101.12 2fea n GLY 141 Ca -0.04 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2fea n GLY 141 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fea n THR 142 N 0.00 0.00 -3.46 2.61 -2.24 -1.26 -4.82 114.28 105.11 2fea n THR 142 Ca 0.00 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 2fea n THR 142 Cb 0.00 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 2fea n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fea n SER 144 N 3.51 1.55 -0.95 0.00 3.41 -1.26 -4.21 113.62 115.67 2fea n SER 144 Ca -0.10 -2.59 0.07 0.00 -0.26 0.00 0.00 58.87 55.99 2fea n SER 144 Cb 0.52 -0.39 0.22 0.00 -0.26 0.00 0.00 64.21 64.30 2fea n SER 144 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2fea n ASN 145 N -0.15 2.76 -3.93 4.04 5.15 -1.26 -4.94 115.26 116.93 2fea n ASN 145 Ca 0.12 -2.09 -0.25 0.00 -0.60 0.00 0.00 54.58 51.76 2fea n ASN 145 Cb 0.97 -0.36 -0.01 0.00 -0.53 0.00 0.00 39.78 39.84 2fea n ASN 145 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fea n GLN 146 N 0.81 -3.52 0.20 1.20 1.13 -1.26 -4.66 117.38 111.28 2fea n GLN 146 Ca 0.16 0.43 0.06 0.00 -1.94 0.00 0.00 57.00 55.71 2fea n GLN 146 Cb 0.47 -4.64 0.39 0.00 0.11 0.00 0.00 30.24 26.57 2fea n GLN 146 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fea n GLY 148 N -0.04 2.20 3.48 0.00 0.00 -1.26 -4.00 105.19 105.57 2fea n GLY 148 Ca -0.01 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2fea n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fea h LYS 151 N 9.44 0.63 -0.66 0.00 1.57 -1.95 -1.98 116.57 123.61 2fea h LYS 151 Ca -0.25 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2fea h LYS 151 Cb 1.07 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 2fea h LYS 151 CO 1.16 0.52 0.36 -1.35 -0.57 0.00 0.00 179.45 179.57 2fea h PRO 152 N 0.58 0.64 -0.74 3.15 0.11 -1.91 -0.71 132.00 133.12 2fea h PRO 152 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2fea h PRO 152 Cb 0.08 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.01 2fea h PRO 152 CO -0.02 0.43 0.47 0.77 -0.21 0.00 0.00 178.00 179.44 2fea h SER 153 N 0.66 0.86 -0.42 -2.05 0.02 -1.81 -0.36 113.55 110.46 2fea h SER 153 Ca 0.30 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 2fea h SER 153 Cb 0.20 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2fea h SER 153 CO -0.19 0.64 0.17 0.58 -1.14 0.00 0.00 176.83 176.89 2fea h VAL 154 N 1.00 1.20 -0.58 2.27 2.07 -1.02 -1.17 116.25 120.02 2fea h VAL 154 Ca 0.27 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2fea h VAL 154 Cb -0.09 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2fea h VAL 154 CO -0.06 0.23 0.36 0.40 0.02 0.00 0.00 177.57 178.52 2fea h ILE 155 N 0.54 1.16 -0.46 4.57 2.04 -0.72 -1.45 117.51 123.19 2fea h ILE 155 Ca 0.14 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2fea h ILE 155 Cb 0.19 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2fea h ILE 155 CO -0.01 0.16 0.17 0.45 0.00 0.00 0.00 178.15 178.92 2fea h HIS 156 N 0.78 0.72 -0.50 1.37 3.86 -1.00 -1.53 115.15 118.85 2fea h HIS 156 Ca 0.21 -0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.45 2fea h HIS 156 Cb -0.05 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.13 2fea h HIS 156 CO -0.03 0.63 0.07 1.49 0.86 0.00 0.00 177.93 180.95 2fea h GLU 157 N 0.61 0.19 0.00 2.45 4.57 -0.78 -3.32 114.58 118.30 2fea h GLU 157 Ca 0.15 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.13 2fea h GLU 157 Cb 0.23 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2fea h GLU 157 CO -0.01 0.12 -1.78 1.28 -1.18 0.00 0.00 179.01 177.45 2fea n LEU 158 N -5.16 0.48 -4.93 1.64 4.77 -0.58 -4.95 117.00 108.27 2fea n LEU 158 Ca 0.06 0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 56.00 2fea n LEU 158 Cb 0.26 0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2fea n LEU 158 CO 0.18 0.21 0.59 -0.94 -1.33 0.00 0.00 177.39 176.11 2fea s SER 159 N -5.48 4.89 0.22 -1.43 1.04 -0.59 -5.09 113.70 107.26 2fea s SER 159 Ca -0.06 0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.85 2fea s SER 159 Cb 0.09 -1.11 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 2fea s SER 159 CO 0.83 -1.53 -0.07 -1.61 0.98 0.00 0.00 173.24 171.84 2fea s GLU 160 N -5.19 1.33 0.26 4.02 2.02 -1.26 -4.97 118.70 114.91 2fea s GLU 160 Ca 0.60 -1.64 -0.31 0.00 0.02 0.00 0.00 54.97 53.64 2fea s GLU 160 Cb -0.11 -0.88 -0.13 0.00 0.10 0.00 0.00 34.13 33.12 2fea s GLU 160 CO 0.44 0.04 1.45 -2.30 0.02 0.00 0.00 175.26 174.92 2fea n PRO 161 N -0.41 2.22 -0.96 0.39 -0.02 -1.26 -2.87 135.00 132.09 2fea n PRO 161 Ca -0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2fea n PRO 161 Cb 0.62 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2fea n PRO 161 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fea n ASN 162 N 2.09 -0.81 -4.74 2.55 3.02 -1.26 -4.97 115.26 111.14 2fea n ASN 162 Ca 0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 2fea n ASN 162 Cb 0.33 -0.38 0.08 0.00 -0.61 0.00 0.00 39.78 39.20 2fea n ASN 162 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2fea s GLN 163 N -0.12 2.33 -0.56 3.52 -0.21 -1.14 -4.35 119.66 119.12 2fea s GLN 163 Ca 0.00 1.65 -0.18 0.00 0.02 0.00 0.00 55.36 56.85 2fea s GLN 163 Cb 0.00 -1.87 0.10 0.00 1.00 0.00 0.00 33.01 32.24 2fea s GLN 163 CO 0.00 -1.67 0.63 -0.47 -2.12 0.00 0.00 175.29 171.67 2fea s TYR 164 N -2.10 3.07 -0.22 0.91 5.04 0.37 -4.90 117.35 119.53 2fea s TYR 164 Ca 0.72 -0.99 -0.21 0.00 -2.44 0.00 0.00 57.07 54.15 2fea s TYR 164 Cb -0.26 -3.87 -0.02 0.00 0.35 0.00 0.00 41.96 38.16 2fea s TYR 164 CO 0.44 -1.18 0.65 0.42 -1.34 0.00 0.00 175.55 174.55 2fea s ILE 165 N 2.38 4.99 0.52 3.14 1.01 -1.26 -0.68 121.20 131.29 2fea s ILE 165 Ca 0.10 1.22 0.05 0.00 0.00 0.00 0.00 60.65 62.01 2fea s ILE 165 Cb -0.25 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2fea s ILE 165 CO 0.06 0.07 0.27 -0.63 0.00 0.00 0.00 174.94 174.71 2fea s ILE 166 N 2.16 1.64 -0.30 2.92 1.01 0.64 -0.44 121.20 128.83 2fea s ILE 166 Ca 0.29 -1.64 -0.19 0.00 0.00 0.00 0.00 60.65 59.11 2fea s ILE 166 Cb -0.16 -2.28 0.20 0.00 0.01 0.00 0.00 42.46 40.24 2fea s ILE 166 CO 0.10 0.00 1.31 -0.63 0.00 0.00 0.00 174.94 175.71 2fea s ILE 168 N -2.77 -0.02 0.25 2.92 1.01 0.03 -0.86 121.20 121.77 2fea s ILE 168 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.81 2fea s ILE 168 Cb -0.00 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.51 2fea s ILE 168 CO 0.17 0.00 0.60 0.61 0.00 0.00 0.00 174.94 176.32 2fea n GLY 169 N 4.22 1.18 0.00 6.18 0.00 -0.10 -1.06 105.19 115.61 2fea n GLY 169 Ca -0.08 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2fea n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fea n ASP 170 N -1.32 0.00 -4.85 1.61 5.75 -1.26 -2.24 116.55 114.23 2fea n ASP 170 Ca -0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.36 2fea n ASP 170 Cb 0.42 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 2fea n ASP 170 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2fea s SER 171 N 0.00 6.69 0.45 -1.12 0.01 -1.26 -2.74 113.70 115.73 2fea s SER 171 Ca 0.00 0.83 0.21 0.00 1.31 0.00 0.00 55.95 58.30 2fea s SER 171 Cb 0.00 -2.20 1.05 0.00 0.21 0.00 0.00 66.02 65.08 2fea s SER 171 CO 0.00 0.28 1.92 1.62 0.41 0.00 0.00 173.24 177.47 2fea h VAL 172 N 3.43 0.83 0.00 3.43 3.04 -1.94 -1.70 116.25 123.35 2fea h VAL 172 Ca -0.51 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 64.22 2fea h VAL 172 Cb 1.21 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 2fea h VAL 172 CO 0.63 0.24 0.00 0.35 -1.01 0.00 0.00 177.57 177.78 2fea n THR 173 N -3.75 1.01 -0.43 3.17 -2.24 -1.26 -2.57 114.28 108.20 2fea n THR 173 Ca -0.01 0.25 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 2fea n THR 173 Cb 0.35 -1.01 0.33 0.00 -2.10 0.00 0.00 70.33 67.90 2fea n THR 173 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2fea n ASP 174 N -1.48 4.44 -0.19 3.42 8.00 -0.64 -4.46 116.55 125.65 2fea n ASP 174 Ca 0.04 -2.41 0.06 0.00 0.71 0.00 0.00 54.79 53.19 2fea n ASP 174 Cb 0.16 -0.56 0.35 0.00 -0.02 0.00 0.00 41.12 41.05 2fea n ASP 174 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2fea h VAL 175 N 3.81 1.03 -0.59 2.53 3.04 -1.67 -1.85 116.25 122.55 2fea h VAL 175 Ca 0.00 -0.27 -0.09 0.00 -1.01 0.00 0.00 66.70 65.34 2fea h VAL 175 Cb 1.36 0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.81 2fea h VAL 175 CO 0.22 0.14 0.01 -0.33 -1.01 0.00 0.00 177.57 176.60 2fea h GLU 176 N 0.77 1.01 -0.90 4.17 4.39 -1.87 -0.52 114.58 121.63 2fea h GLU 176 Ca 0.32 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2fea h GLU 176 Cb 0.25 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2fea h GLU 176 CO -0.11 0.98 0.58 0.00 -1.16 0.00 0.00 179.01 179.30 2fea h ALA 177 N 1.07 1.15 -0.13 3.43 0.00 -1.82 -2.82 119.26 120.15 2fea h ALA 177 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2fea h ALA 177 Cb 0.52 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2fea h ALA 177 CO 0.03 0.57 -0.27 0.00 0.00 0.00 0.00 179.25 179.58 2fea h ALA 178 N 1.32 1.32 0.00 0.00 0.00 -0.78 -2.48 119.26 118.64 2fea h ALA 178 Ca 0.33 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2fea h ALA 178 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2fea h ALA 178 CO -0.07 0.47 -0.26 0.87 0.00 0.00 0.00 179.25 180.26 2fea h LYS 179 N 0.20 0.00 0.00 0.00 1.57 -0.86 -1.85 116.57 115.64 2fea h LYS 179 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2fea h LYS 179 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2fea h LYS 179 CO 0.04 0.26 0.00 -0.07 -0.57 0.00 0.00 179.45 179.11 2fea h LEU 180 N 0.00 0.00-10.14 2.94 3.38 -1.28 -3.46 115.31 106.76 2fea h LEU 180 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2fea h LEU 180 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2fea h LEU 180 CO 0.03 0.00 0.18 -0.94 0.09 0.00 0.00 178.44 177.80 2fea s SER 181 N -4.85 6.60 0.25 -0.43 1.04 -0.70 -4.88 113.70 110.74 2fea s SER 181 Ca 0.08 1.28 0.17 0.00 0.48 0.00 0.00 55.95 57.95 2fea s SER 181 Cb 0.10 -2.38 0.05 0.00 0.10 0.00 0.00 66.02 63.89 2fea s SER 181 CO 0.56 -0.41 1.30 0.44 0.98 0.00 0.00 173.24 176.11 2fea h ASP 182 N 1.36 0.00 -3.64 7.02 3.32 -1.04 -3.46 116.42 119.97 2fea h ASP 182 Ca -0.47 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.41 2fea h ASP 182 Cb 1.18 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.46 2fea h ASP 182 CO 0.63 0.41 -0.43 -0.22 -1.72 0.00 0.00 179.24 177.91 2fea s LEU 183 N -6.19 0.77 -0.14 1.55 2.96 -0.96 -4.73 118.68 111.94 2fea s LEU 183 Ca 0.03 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.49 2fea s LEU 183 Cb 0.08 0.86 0.00 0.00 0.50 0.00 0.00 46.19 47.63 2fea s LEU 183 CO 0.75 -0.12 -0.19 0.00 -1.32 0.00 0.00 176.35 175.47 2fea s PHE 185 N 0.76 3.30 -0.00 0.00 0.40 -1.26 -0.95 117.98 120.22 2fea s PHE 185 Ca -0.08 0.68 0.03 0.00 -0.60 0.00 0.00 56.93 56.96 2fea s PHE 185 Cb -0.16 -2.71 -0.01 0.00 0.51 0.00 0.00 43.02 40.66 2fea s PHE 185 CO -0.00 -0.23 -0.09 0.00 0.70 0.00 0.00 175.22 175.60 2fea s ALA 186 N 2.13 0.71 0.34 5.36 0.00 -0.28 -0.92 121.76 129.10 2fea s ALA 186 Ca 0.22 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2fea s ALA 186 Cb -0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 2fea s ALA 186 CO 0.09 0.17 -0.01 1.03 0.00 0.00 0.00 175.76 177.04 2fea s ARG 187 N -0.29 1.74 4.16 0.00 0.52 -0.95 -3.69 118.95 120.44 2fea s ARG 187 Ca 0.03 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.30 2fea s ARG 187 Cb -0.04 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.14 2fea s ARG 187 CO -0.00 -0.04 0.00 -0.25 0.02 0.00 0.00 175.30 175.03 2fea n ASP 188 N -0.76 0.00 0.22 0.23 8.00 -1.26 -2.33 116.55 120.65 2fea n ASP 188 Ca -0.04 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.55 2fea n ASP 188 Cb 0.65 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 42.23 2fea n ASP 188 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2fea h TYR 189 N 0.00 0.00 -0.75 1.24 0.05 -1.93 -1.57 116.97 114.00 2fea h TYR 189 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2fea h TYR 189 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2fea h TYR 189 CO 0.00 0.24 0.37 1.25 -1.05 0.00 0.00 178.16 178.97 2fea h LEU 190 N 0.00 0.96 -0.66 3.88 5.85 -1.31 -1.51 115.31 122.52 2fea h LEU 190 Ca -0.00 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2fea h LEU 190 Cb 0.72 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2fea h LEU 190 CO 0.03 0.80 0.23 0.25 -0.34 0.00 0.00 178.44 179.42 2fea h LEU 191 N 1.06 0.94 -0.94 2.25 5.85 -0.89 0.21 115.31 123.79 2fea h LEU 191 Ca 0.26 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2fea h LEU 191 Cb 0.08 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2fea h LEU 191 CO -0.04 0.88 0.31 0.78 -0.34 0.00 0.00 178.44 180.03 2fea h ASN 192 N 0.95 0.98 -0.37 1.25 -0.26 -1.19 -1.85 115.58 115.10 2fea h ASN 192 Ca 0.22 -0.14 -0.11 0.00 -0.56 0.00 0.00 56.30 55.71 2fea h ASN 192 Cb 0.25 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2fea h ASN 192 CO -0.01 0.86 -0.20 -0.33 -1.06 0.00 0.00 177.43 176.69 2fea h GLU 193 N 1.06 0.79 -0.79 0.81 4.39 -0.77 0.16 114.58 120.22 2fea h GLU 193 Ca 0.25 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2fea h GLU 193 Cb 0.18 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2fea h GLU 193 CO -0.02 0.98 0.43 0.00 -1.16 0.00 0.00 179.01 179.23 2fea h ARG 195 N 1.10 0.75 -0.17 0.00 9.65 -1.07 -0.04 114.38 124.60 2fea h ARG 195 Ca 0.28 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2fea h ARG 195 Cb 0.04 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2fea h ARG 195 CO -0.04 0.83 0.11 1.49 2.80 0.00 0.00 179.97 185.16 2fea h GLU 196 N 0.59 0.23 -0.53 0.20 4.81 -0.35 -2.95 114.58 116.58 2fea h GLU 196 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2fea h GLU 196 Cb 0.49 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2fea h GLU 196 CO 0.02 0.17 0.00 1.04 -0.73 0.00 0.00 179.01 179.51 2fea n GLN 197 N -4.96 2.37 -3.90 1.92 6.02 -0.20 -4.94 117.38 113.69 2fea n GLN 197 Ca -0.04 -1.86 -0.25 0.00 -0.01 0.00 0.00 57.00 54.85 2fea n GLN 197 Cb 0.04 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 2fea n GLN 197 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2fea n ASN 198 N 0.90 -0.69 -4.73 1.08 5.15 -0.64 -4.97 115.26 111.36 2fea n ASN 198 Ca 0.17 -0.96 -0.39 0.00 -0.60 0.00 0.00 54.58 52.80 2fea n ASN 198 Cb 0.49 -3.29 -0.05 0.00 -0.53 0.00 0.00 39.78 36.40 2fea n ASN 198 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2fea s LEU 199 N -6.92 4.36 -0.15 1.20 1.43 -0.12 -5.01 118.68 113.47 2fea s LEU 199 Ca 0.04 1.18 -0.36 0.00 -1.03 0.00 0.00 54.13 53.96 2fea s LEU 199 Cb -0.02 -3.02 -0.13 0.00 0.03 0.00 0.00 46.19 43.05 2fea s LEU 199 CO 0.87 -0.02 1.85 -3.20 0.23 0.00 0.00 176.35 176.07 2fea n ASN 200 N 3.33 3.13 -3.97 2.29 5.15 -1.26 -4.67 115.26 119.26 2fea n ASN 200 Ca -0.04 1.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.86 2fea n ASN 200 Cb 0.51 -1.30 -0.05 0.00 -0.53 0.00 0.00 39.78 38.41 2fea n ASN 200 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 2fea s HIS 201 N 3.97 0.26 -0.07 1.20 -3.43 -1.26 -1.61 115.29 114.36 2fea s HIS 201 Ca 0.95 -0.64 -0.07 0.00 -0.80 0.00 0.00 55.06 54.50 2fea s HIS 201 Cb -0.81 0.27 0.02 0.00 -1.43 0.00 0.00 32.58 30.63 2fea s HIS 201 CO 0.56 -1.02 0.19 -0.51 -2.00 0.00 0.00 174.74 171.96 2fea s LEU 202 N -3.00 1.28 0.87 5.38 1.43 -0.12 -4.91 118.68 119.61 2fea s LEU 202 Ca 0.20 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 2fea s LEU 202 Cb -0.01 0.66 0.12 0.00 0.03 0.00 0.00 46.19 46.99 2fea s LEU 202 CO 0.08 -0.09 1.14 -2.16 0.23 0.00 0.00 176.35 175.55 2fea s PRO 203 N 0.00 1.44 -0.16 1.29 0.04 -1.26 -1.12 135.00 135.23 2fea s PRO 203 Ca -0.01 0.29 -0.19 0.00 0.04 0.00 0.00 61.00 61.14 2fea s PRO 203 Cb -0.02 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.70 2fea s PRO 203 CO 0.00 -1.99 0.50 1.52 0.04 0.00 0.00 177.00 177.07 2fea s TYR 204 N -3.33 -0.52 -0.11 0.56 1.13 -1.24 -4.75 117.35 109.08 2fea s TYR 204 Ca 0.63 1.21 -0.05 0.00 -1.41 0.00 0.00 57.07 57.45 2fea s TYR 204 Cb -0.14 0.20 -0.26 0.00 -1.10 0.00 0.00 41.96 40.66 2fea s TYR 204 CO 0.52 -0.32 0.39 1.04 -2.51 0.00 0.00 175.55 174.67 2fea n GLN 205 N 2.42 0.75 -3.86 -3.49 1.13 -1.26 -4.85 117.38 108.22 2fea n GLN 205 Ca -0.15 0.26 -0.10 0.00 -1.94 0.00 0.00 57.00 55.07 2fea n GLN 205 Cb 0.56 -1.71 0.02 0.00 0.11 0.00 0.00 30.24 29.22 2fea n GLN 205 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2fea s ASP 206 N -6.95 0.23 0.21 1.08 1.47 -1.26 -4.93 116.67 106.52 2fea s ASP 206 Ca -0.21 -1.27 0.25 0.00 1.18 0.00 0.00 52.55 52.50 2fea s ASP 206 Cb 0.07 0.83 0.61 0.00 -0.34 0.00 0.00 42.92 44.09 2fea s ASP 206 CO 0.77 -1.65 1.61 -0.26 0.68 0.00 0.00 175.17 176.33 2fea h PHE 207 N 2.01 0.00 -0.09 2.11 0.04 -1.45 -2.63 116.94 116.93 2fea h PHE 207 Ca -0.32 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.44 2fea h PHE 207 Cb 1.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 2fea h PHE 207 CO 1.50 0.00 0.05 1.88 -0.60 0.00 0.00 178.31 181.14 2fea h TYR 208 N 0.00 0.12 -0.73 -0.55 0.05 -1.75 -1.40 116.97 112.72 2fea h TYR 208 Ca 0.00 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2fea h TYR 208 Cb 0.78 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.44 2fea h TYR 208 CO 0.00 0.12 0.48 1.49 -1.05 0.00 0.00 178.16 179.20 2fea h GLU 209 N 0.08 0.95 -0.27 4.88 4.81 -1.89 -2.07 114.58 121.07 2fea h GLU 209 Ca 0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2fea h GLU 209 Cb 0.04 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2fea h GLU 209 CO -0.01 0.63 0.17 0.82 -0.73 0.00 0.00 179.01 179.89 2fea h ILE 210 N 0.97 1.07 0.05 2.32 2.04 -1.37 -1.18 117.51 121.41 2fea h ILE 210 Ca 0.27 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2fea h ILE 210 Cb -0.10 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2fea h ILE 210 CO -0.06 0.07 -0.02 -0.09 0.00 0.00 0.00 178.15 178.05 2fea h ARG 211 N 0.36 -0.06 -0.32 2.37 1.12 -1.16 -0.31 114.38 116.38 2fea h ARG 211 Ca 0.10 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 59.04 2fea h ARG 211 Cb -0.03 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 29.88 2fea h ARG 211 CO -0.02 0.00 -0.08 -0.22 -3.11 0.00 0.00 179.97 176.54 2fea h LYS 212 N -0.11 0.00 -0.62 0.20 1.63 -1.25 -1.19 116.57 115.23 2fea h LYS 212 Ca -0.01 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 2fea h LYS 212 Cb 0.09 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2fea h LYS 212 CO 0.01 0.00 0.11 0.93 -3.45 0.00 0.00 179.45 177.06 2fea h GLU 213 N 0.00 1.00 -0.47 1.90 4.39 -1.06 -2.85 114.58 117.50 2fea h GLU 213 Ca 0.16 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2fea h GLU 213 Cb 0.24 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2fea h GLU 213 CO -0.33 0.92 0.11 0.82 -1.16 0.00 0.00 179.01 179.36 2fea h ILE 214 N 0.95 1.24 -0.92 3.13 2.04 -0.58 -2.23 117.51 121.14 2fea h ILE 214 Ca 0.19 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.26 2fea h ILE 214 Cb 0.39 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2fea h ILE 214 CO 0.01 0.30 0.60 -0.08 0.00 0.00 0.00 178.15 178.98 2fea h GLU 215 N 0.64 1.07 -0.58 2.37 4.81 -1.06 -1.88 114.58 119.94 2fea h GLU 215 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2fea h GLU 215 Cb 0.33 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2fea h GLU 215 CO 0.00 0.71 0.00 0.09 -0.73 0.00 0.00 179.01 179.08 2fea n ASN 216 N -4.47 3.31 -4.72 1.04 3.02 -1.02 -3.99 115.26 108.43 2fea n ASN 216 Ca 0.13 -2.16 -0.42 0.00 -0.03 0.00 0.00 54.58 52.10 2fea n ASN 216 Cb 0.15 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 2fea n ASN 216 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2fea s VAL 217 N -1.50 3.47 0.17 2.41 1.01 -0.71 -4.94 120.40 120.32 2fea s VAL 217 Ca 0.38 1.07 -0.22 0.00 0.00 0.00 0.00 61.98 63.21 2fea s VAL 217 Cb 0.22 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 33.00 2fea s VAL 217 CO 0.22 0.09 1.60 0.50 0.00 0.00 0.00 175.10 177.51 2fea h LYS 218 N 6.69 -0.20 -0.14 2.72 1.63 -1.88 -0.30 116.57 125.09 2fea h LYS 218 Ca -0.42 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.34 2fea h LYS 218 Cb 1.21 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 2fea h LYS 218 CO 0.84 -0.14 -0.15 0.93 -3.45 0.00 0.00 179.45 177.49 2fea h GLU 219 N -0.21 0.22 -0.05 1.90 3.07 -1.95 -0.96 114.58 116.60 2fea h GLU 219 Ca 0.19 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 2fea h GLU 219 Cb 0.53 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2fea h GLU 219 CO -0.57 0.37 -0.11 0.28 -1.40 0.00 0.00 179.01 177.59 2fea h VAL 220 N 0.21 1.43 -0.35 3.13 2.07 -1.62 -2.56 116.25 118.55 2fea h VAL 220 Ca 0.04 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.19 2fea h VAL 220 Cb 0.39 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 2fea h VAL 220 CO 0.02 0.39 -0.06 1.56 0.02 0.00 0.00 177.57 179.51 2fea h GLN 221 N -0.35 0.03 -0.56 1.57 1.08 -0.63 0.15 115.11 116.40 2fea h GLN 221 Ca 0.00 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2fea h GLN 221 Cb 0.69 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.03 2fea h GLN 221 CO 0.02 0.02 0.11 0.93 -0.95 0.00 0.00 178.83 178.96 2fea h GLU 222 N 0.03 0.23 -0.50 1.46 5.08 -1.23 -0.20 114.58 119.45 2fea h GLU 222 Ca 0.17 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2fea h GLU 222 Cb 0.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2fea h GLU 222 CO -0.33 0.15 0.27 2.35 -1.00 0.00 0.00 179.01 180.45 2fea h TRP 223 N 0.24 0.69 -0.70 4.33 7.01 -0.93 -3.07 115.95 123.52 2fea h TRP 223 Ca 0.29 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.23 2fea h TRP 223 Cb 0.42 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 2fea h TRP 223 CO -0.25 0.52 0.27 -0.07 -2.79 0.00 0.00 178.44 176.12 2fea h LEU 224 N 0.66 0.98 0.00 0.65 3.38 -0.20 -3.03 115.31 117.76 2fea h LEU 224 Ca 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fea h LEU 224 Cb 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2fea h LEU 224 CO -0.03 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.40 2fea n GLN 225 N -4.36 0.69 -2.52 1.13 6.02 -0.16 -3.21 117.38 114.98 2fea n GLN 225 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.62 2fea n GLN 225 Cb 0.18 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.13 2fea n GLN 225 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2fea n ASN 226 N -0.81 5.23 0.00 1.08 4.13 -1.15 -5.08 115.26 118.66 2fea n ASN 226 Ca 0.10 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.25 2fea n ASN 226 Cb 0.05 -1.48 0.00 0.00 -1.54 0.00 0.00 39.78 36.81 2fea n ASN 226 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83