#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dea h SER 33 N 0.00 0.00 -3.23 4.04 0.02 -1.92 -3.43 113.55 109.03 3dea h SER 33 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 3dea h SER 33 Cb 0.00 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.20 3dea h SER 33 CO 0.00 0.27 -0.86 -0.89 -1.14 0.00 0.00 176.83 174.22 3dea s THR 34 N -4.27 1.82 -0.05 -2.27 2.01 -1.26 -0.45 115.64 111.17 3dea s THR 34 Ca -0.03 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 3dea s THR 34 Cb 0.14 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 71.06 3dea s THR 34 CO 0.69 0.50 0.09 -0.13 -0.69 0.00 0.00 174.62 175.08 3dea s ARG 35 N 0.88 0.01 -0.12 4.92 1.81 -1.26 -4.99 118.95 120.20 3dea s ARG 35 Ca -0.07 0.33 0.20 0.00 -1.72 0.00 0.00 55.73 54.47 3dea s ARG 35 Cb -0.15 -0.27 0.44 0.00 -0.45 0.00 0.00 34.95 34.52 3dea s ARG 35 CO -0.02 -0.21 1.18 0.09 -0.68 0.00 0.00 175.30 175.66 3dea n ASN 36 N 4.53 1.60 0.23 0.23 3.02 -1.21 -1.24 115.26 122.43 3dea n ASN 36 Ca -0.20 -2.70 0.08 0.00 -0.03 0.00 0.00 54.58 51.72 3dea n ASN 36 Cb 0.50 -0.39 0.57 0.00 -0.61 0.00 0.00 39.78 39.85 3dea n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3dea h GLU 37 N 1.32 0.00 0.05 3.52 5.08 -1.39 -2.24 114.58 120.91 3dea h GLU 37 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3dea h GLU 37 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3dea h GLU 37 CO 0.14 0.18 -0.02 1.25 -1.00 0.00 0.00 179.01 179.55 3dea h LEU 38 N 0.00 -0.05 -1.22 1.33 5.85 -1.85 0.00 115.31 119.37 3dea h LEU 38 Ca -0.00 -0.52 0.15 0.00 0.84 0.00 0.00 57.88 58.35 3dea h LEU 38 Cb 0.35 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 3dea h LEU 38 CO 0.02 0.51 0.59 -0.33 -0.34 0.00 0.00 178.44 178.90 3dea h GLU 39 N -0.64 0.71 0.00 1.25 4.39 -1.84 -2.34 114.58 116.10 3dea h GLU 39 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3dea h GLU 39 Cb 0.57 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3dea h GLU 39 CO 0.01 0.47 -1.01 2.41 -1.16 0.00 0.00 179.01 179.73 3dea n THR 40 N -4.59 0.01 -2.38 1.13 -1.04 -0.88 -4.96 114.28 101.58 3dea n THR 40 Ca 0.19 -0.06 -0.35 0.00 -2.04 0.00 0.00 64.05 61.79 3dea n THR 40 Cb 0.49 0.75 -0.01 0.00 -1.82 0.00 0.00 70.33 69.73 3dea n THR 40 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3dea s GLY 41 N -3.17 2.60 -0.09 3.41 0.00 -0.01 -5.05 107.32 105.00 3dea s GLY 41 Ca 0.07 0.75 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 3dea s GLY 41 CO 0.84 1.09 -0.00 -0.45 0.00 0.00 0.00 173.10 174.58 3dea s SER 42 N -1.83 5.20 0.00 1.64 0.15 -1.26 -5.00 113.70 112.60 3dea s SER 42 Ca 0.70 0.12 0.19 0.00 0.70 0.00 0.00 55.95 57.66 3dea s SER 42 Cb -0.21 -1.48 0.97 0.00 -1.71 0.00 0.00 66.02 63.59 3dea s SER 42 CO 0.25 0.37 1.57 -1.54 1.20 0.00 0.00 173.24 175.08 3dea n SER 43 N 2.23 0.00 0.05 5.45 3.41 -1.26 -0.77 113.62 122.73 3dea n SER 43 Ca -0.18 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3dea n SER 43 Cb 0.54 -0.24 0.50 0.00 -0.26 0.00 0.00 64.21 64.74 3dea n SER 43 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dea n SER 44 N -1.24 0.34 -2.57 4.04 3.41 -1.26 -4.25 113.62 112.09 3dea n SER 44 Ca 0.10 0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 59.12 3dea n SER 44 Cb 0.14 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3dea n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dea n ALA 45 N -1.62 3.85 -1.74 7.33 0.00 0.05 -5.09 120.51 123.28 3dea n ALA 45 Ca 0.06 -3.42 -0.42 0.00 0.00 0.00 0.00 53.44 49.65 3dea n ALA 45 Cb 0.34 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 3dea n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dea s PRO 47 N 0.96 0.98 0.15 0.00 0.04 -1.26 -5.00 135.00 130.87 3dea s PRO 47 Ca 0.73 -0.92 -0.06 0.00 0.04 0.00 0.00 61.00 60.80 3dea s PRO 47 Cb -0.49 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 31.95 3dea s PRO 47 CO 0.34 -2.04 1.41 0.87 0.04 0.00 0.00 177.00 177.62 3dea h LYS 48 N -1.14 0.58 -4.35 4.56 1.57 -1.71 -3.40 116.57 112.68 3dea h LYS 48 Ca -0.39 -0.44 -0.38 0.00 -1.87 0.00 0.00 60.65 57.56 3dea h LYS 48 Cb 1.24 0.08 -0.31 0.00 0.08 0.00 0.00 32.23 33.32 3dea h LYS 48 CO 0.35 1.07 -0.77 0.08 -0.57 0.00 0.00 179.45 179.60 3dea s VAL 49 N -3.77 0.58 -0.20 0.50 1.01 -0.64 -1.10 120.40 116.78 3dea s VAL 49 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 3dea s VAL 49 Cb 0.10 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3dea s VAL 49 CO 0.86 0.19 -0.13 -0.63 0.00 0.00 0.00 175.10 175.40 3dea s ILE 50 N 0.25 2.68 -0.25 2.22 1.01 -0.21 -1.01 121.20 125.88 3dea s ILE 50 Ca -0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3dea s ILE 50 Cb -0.08 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3dea s ILE 50 CO 0.00 0.49 0.01 -0.47 0.00 0.00 0.00 174.94 174.96 3dea s TYR 51 N 1.35 3.04 -0.20 3.97 5.04 0.69 -1.26 117.35 129.98 3dea s TYR 51 Ca 0.05 -0.92 -0.03 0.00 -2.44 0.00 0.00 57.07 53.74 3dea s TYR 51 Cb -0.14 -2.16 -0.00 0.00 0.35 0.00 0.00 41.96 40.01 3dea s TYR 51 CO -0.08 -0.54 -0.08 0.42 -1.34 0.00 0.00 175.55 173.93 3dea s ILE 52 N 1.49 3.10 -0.07 3.14 1.01 -0.55 -0.78 121.20 128.53 3dea s ILE 52 Ca 0.04 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.14 3dea s ILE 52 Cb -0.15 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3dea s ILE 52 CO -0.01 0.45 -0.19 0.12 0.00 0.00 0.00 174.94 175.32 3dea s PHE 53 N 1.34 2.03 -0.23 3.97 5.36 -0.33 -1.55 117.98 128.57 3dea s PHE 53 Ca 0.04 -0.75 -0.07 0.00 -0.96 0.00 0.00 56.93 55.19 3dea s PHE 53 Cb -0.14 -1.39 -0.03 0.00 -0.34 0.00 0.00 43.02 41.12 3dea s PHE 53 CO -0.04 -0.31 0.05 0.00 -1.46 0.00 0.00 175.22 173.46 3dea s ALA 54 N 0.35 3.16 0.82 11.12 0.00 -0.72 -0.62 121.76 135.88 3dea s ALA 54 Ca -0.14 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 3dea s ALA 54 Cb -0.16 -2.00 0.10 0.00 0.00 0.00 0.00 23.12 21.06 3dea s ALA 54 CO 0.06 -0.34 1.18 -0.98 0.00 0.00 0.00 175.76 175.67 3dea s ARG 55 N 1.35 1.78 0.68 0.00 1.70 -1.26 -2.23 118.95 120.97 3dea s ARG 55 Ca 0.05 -0.02 -0.12 0.00 -0.47 0.00 0.00 55.73 55.16 3dea s ARG 55 Cb -0.15 -1.96 0.00 0.00 -0.57 0.00 0.00 34.95 32.28 3dea s ARG 55 CO 0.03 -1.68 1.07 0.00 -1.08 0.00 0.00 175.30 173.63 3dea s ALA 56 N -3.59 2.61 0.14 7.88 0.00 -0.94 -2.09 121.76 125.78 3dea s ALA 56 Ca 0.64 0.22 -0.34 0.00 0.00 0.00 0.00 51.96 52.48 3dea s ALA 56 Cb -0.10 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.65 3dea s ALA 56 CO 0.49 -1.22 1.30 0.43 0.00 0.00 0.00 175.76 176.77 3dea n SER 57 N -2.88 1.76 0.00 0.00 7.64 -1.26 -2.20 113.62 116.69 3dea n SER 57 Ca 0.08 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3dea n SER 57 Cb 0.53 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3dea n SER 57 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3dea n THR 58 N 2.16 0.00 -1.74 0.44 -1.04 0.31 -4.96 114.28 109.45 3dea n THR 58 Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.76 3dea n THR 58 Cb 0.23 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.74 3dea n THR 58 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dea n GLU 59 N -1.04 2.41 -1.28 -2.82 1.02 -0.93 -4.99 120.64 113.02 3dea n GLU 59 Ca 0.00 0.85 -0.31 0.00 -0.02 0.00 0.00 57.16 57.68 3dea n GLU 59 Cb 0.00 -2.51 0.09 0.00 -0.02 0.00 0.00 31.44 29.00 3dea n GLU 59 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3dea s PRO 60 N -1.91 2.27 3.24 3.49 0.04 -1.26 -4.77 135.00 136.10 3dea s PRO 60 Ca 0.55 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3dea s PRO 60 Cb -0.52 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3dea s PRO 60 CO 0.62 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 176.44 3dea n GLY 61 N -1.15 0.05 0.38 0.56 0.00 -1.26 -1.21 105.19 102.56 3dea n GLY 61 Ca 0.09 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.22 3dea n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dea n ASN 62 N -0.70 1.71 -0.01 1.61 0.23 -0.53 -4.65 115.26 112.93 3dea n ASN 62 Ca 0.00 -1.36 0.02 0.00 -0.53 0.00 0.00 54.58 52.72 3dea n ASN 62 Cb 0.00 0.14 -0.05 0.00 -2.08 0.00 0.00 39.78 37.79 3dea n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3dea n MET 63 N 0.36 0.64 0.00 -3.83 2.81 0.41 -3.35 117.12 114.15 3dea n MET 63 Ca 0.06 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dea n MET 63 Cb 0.26 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 3dea n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dea n GLY 64 N 2.18 -0.21 0.00 3.03 0.00 -0.35 -4.20 105.19 105.65 3dea n GLY 64 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3dea n GLY 64 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dea n ILE 65 N 0.00 0.27 0.00 -0.61 -5.35 -1.26 -4.26 119.36 108.14 3dea n ILE 65 Ca 0.00 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3dea n ILE 65 Cb 0.00 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 3dea n ILE 65 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3dea n SER 66 N -0.13 0.00 -0.31 7.28 3.41 -1.26 -4.93 113.62 117.68 3dea n SER 66 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3dea n SER 66 Cb 0.33 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.59 3dea n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dea h ALA 67 N 1.00 1.48 0.05 7.33 0.00 -1.91 -3.02 119.26 124.19 3dea h ALA 67 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dea h ALA 67 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dea h ALA 67 CO 0.00 -0.31 -0.04 0.78 0.00 0.00 0.00 179.25 179.69 3dea h GLY 68 N 0.45 -0.50 0.74 0.00 0.00 -1.92 -1.88 103.07 99.96 3dea h GLY 68 Ca 0.56 0.21 0.13 0.00 0.00 0.00 0.00 47.33 48.24 3dea h GLY 68 CO -0.50 -0.18 0.50 -2.55 0.00 0.00 0.00 176.54 173.80 3dea h PRO 69 N -0.09 0.46 -0.39 4.80 0.11 -1.76 -1.30 132.00 133.84 3dea h PRO 69 Ca -0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3dea h PRO 69 Cb 0.07 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3dea h PRO 69 CO 0.00 0.31 0.14 0.82 -0.21 0.00 0.00 178.00 179.06 3dea h ILE 70 N 0.48 1.20 -0.27 4.15 2.04 -1.45 -0.13 117.51 123.53 3dea h ILE 70 Ca 0.36 -0.65 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 3dea h ILE 70 Cb 0.75 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3dea h ILE 70 CO -0.12 0.23 -0.45 0.58 0.00 0.00 0.00 178.15 178.39 3dea h VAL 71 N 0.48 1.29 -0.28 1.67 2.07 -0.93 -1.87 116.25 118.69 3dea h VAL 71 Ca 0.13 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.04 3dea h VAL 71 Cb 0.22 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3dea h VAL 71 CO -0.01 0.53 0.06 0.00 0.02 0.00 0.00 177.57 178.17 3dea h ALA 72 N 0.93 0.29 -0.39 1.67 0.00 -1.07 -0.32 119.26 120.37 3dea h ALA 72 Ca 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dea h ALA 72 Cb 1.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3dea h ALA 72 CO 0.09 -0.36 0.01 -0.44 0.00 0.00 0.00 179.25 178.56 3dea h ASP 73 N 0.16 0.66 -0.42 0.00 3.45 -0.98 -1.19 116.42 118.11 3dea h ASP 73 Ca 0.13 -0.30 0.02 0.00 0.43 0.00 0.00 57.03 57.31 3dea h ASP 73 Cb 0.13 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 3dea h ASP 73 CO -0.17 0.80 0.25 0.00 -1.57 0.00 0.00 179.24 178.56 3dea h ALA 74 N 0.89 0.53 -0.48 3.45 0.00 -1.12 -0.13 119.26 122.41 3dea h ALA 74 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3dea h ALA 74 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3dea h ALA 74 CO 0.02 -0.07 0.26 -0.07 0.00 0.00 0.00 179.25 179.39 3dea h LEU 75 N 0.51 0.61 -1.34 0.00 3.38 -0.92 -2.02 115.31 115.53 3dea h LEU 75 Ca 0.16 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dea h LEU 75 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3dea h LEU 75 CO -0.07 0.54 0.15 -0.33 0.09 0.00 0.00 178.44 178.81 3dea h GLU 76 N 0.63 0.59 -0.84 1.13 5.08 -1.02 -1.23 114.58 118.93 3dea h GLU 76 Ca 0.17 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3dea h GLU 76 Cb 0.07 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3dea h GLU 76 CO -0.03 0.51 0.39 0.00 -1.00 0.00 0.00 179.01 178.88 3dea h ARG 77 N 0.59 1.22 -0.06 2.33 3.08 -0.69 -0.83 114.38 120.02 3dea h ARG 77 Ca 0.14 -0.19 -0.24 0.00 0.07 0.00 0.00 59.98 59.76 3dea h ARG 77 Cb 0.15 -0.21 0.02 0.00 0.08 0.00 0.00 29.97 30.00 3dea h ARG 77 CO -0.01 0.94 -0.91 0.82 -1.07 0.00 0.00 179.97 179.74 3dea h ILE 78 N 1.20 1.29 0.00 2.04 2.04 -0.78 -3.40 117.51 119.90 3dea h ILE 78 Ca 0.29 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.95 3dea h ILE 78 Cb 0.14 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3dea h ILE 78 CO -0.03 0.66 -1.62 -1.22 0.00 0.00 0.00 178.15 175.94 3dea n TYR 79 N -3.92 0.00 0.00 1.37 4.02 -0.52 -5.10 117.16 113.01 3dea n TYR 79 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 3dea n TYR 79 Cb 0.82 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 3dea n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dea n GLY 80 N 1.99 2.83 0.38 2.72 0.00 -0.32 -4.52 105.19 108.26 3dea n GLY 80 Ca -0.08 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.76 3dea n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dea h ALA 81 N 0.00 1.94 0.00 4.61 0.00 -1.89 -0.96 119.26 122.96 3dea h ALA 81 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dea h ALA 81 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dea h ALA 81 CO 0.00 -0.20 -0.08 -0.91 0.00 0.00 0.00 179.25 178.06 3dea h ASN 82 N 0.60 0.00 -0.52 0.00 2.35 -1.92 -3.27 115.58 112.83 3dea h ASN 82 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 3dea h ASN 82 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 3dea h ASN 82 CO -0.21 0.08 0.00 0.47 -1.65 0.00 0.00 177.43 176.12 3dea n ASP 83 N -3.18 3.69 -3.97 5.81 8.00 -0.39 -4.79 116.55 121.72 3dea n ASP 83 Ca 0.01 -2.17 -0.27 0.00 0.71 0.00 0.00 54.79 53.07 3dea n ASP 83 Cb 0.39 -0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 40.92 3dea n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dea s VAL 84 N -1.31 1.20 -0.31 2.53 1.01 -1.02 -1.63 120.40 120.87 3dea s VAL 84 Ca 0.38 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 3dea s VAL 84 Cb 0.22 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3dea s VAL 84 CO 0.22 0.39 0.48 0.26 0.00 0.00 0.00 175.10 176.45 3dea s TRP 85 N 1.34 3.22 -0.12 5.22 0.51 -0.18 -4.90 118.94 124.02 3dea s TRP 85 Ca -0.01 0.34 -0.15 0.00 -2.12 0.00 0.00 56.10 54.16 3dea s TRP 85 Cb -0.14 -2.79 -0.05 0.00 -0.81 0.00 0.00 33.47 29.69 3dea s TRP 85 CO -0.05 -0.40 0.35 0.08 -0.51 0.00 0.00 176.95 176.41 3dea s VAL 86 N 2.29 5.24 -0.11 4.03 1.01 -1.26 -0.23 120.40 131.38 3dea s VAL 86 Ca 0.18 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 3dea s VAL 86 Cb -0.16 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.60 3dea s VAL 86 CO 0.11 0.41 0.21 -1.58 0.00 0.00 0.00 175.10 174.26 3dea s GLN 87 N 0.19 0.10 0.32 2.72 2.00 0.04 -0.94 119.66 124.09 3dea s GLN 87 Ca 0.20 0.64 -0.11 0.00 -2.00 0.00 0.00 55.36 54.09 3dea s GLN 87 Cb -0.14 -0.15 -0.07 0.00 0.80 0.00 0.00 33.01 33.45 3dea s GLN 87 CO 0.07 -0.28 0.67 0.20 -0.50 0.00 0.00 175.29 175.45 3dea s GLY 88 N 2.20 2.14 -0.70 2.59 0.00 -0.37 -1.19 107.32 111.99 3dea s GLY 88 Ca 0.01 -0.20 -0.24 0.00 0.00 0.00 0.00 44.72 44.29 3dea s GLY 88 CO -0.07 -0.03 1.09 0.14 0.00 0.00 0.00 173.10 174.23 3dea s VAL 89 N -2.07 4.12 0.00 1.40 1.01 0.21 -4.87 120.40 120.20 3dea s VAL 89 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3dea s VAL 89 Cb -0.11 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.50 3dea s VAL 89 CO 0.24 -1.61 0.00 0.61 0.00 0.00 0.00 175.10 174.34 3dea n GLY 90 N 5.39 1.31 7.00 4.51 0.00 -1.26 -4.76 105.19 117.39 3dea n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dea n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dea n GLY 91 N 5.00 3.50 0.00 -0.02 0.00 -1.26 -1.46 105.19 110.95 3dea n GLY 91 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.26 3dea n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dea n PRO 92 N 14.00 0.26 -2.14 1.61 -0.04 -1.26 -4.60 135.00 142.84 3dea n PRO 92 Ca 0.00 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 3dea n PRO 92 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 3dea n PRO 92 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3dea s TYR 93 N -2.72 1.88 -0.77 0.54 5.04 -0.53 -4.55 117.35 116.24 3dea s TYR 93 Ca 0.22 0.45 0.26 0.00 -2.44 0.00 0.00 57.07 55.56 3dea s TYR 93 Cb 0.19 -4.18 0.64 0.00 0.35 0.00 0.00 41.96 38.96 3dea s TYR 93 CO 0.46 -1.95 1.56 1.28 -1.34 0.00 0.00 175.55 175.57 3dea n LEU 94 N 12.71 0.62 -2.38 6.97 4.77 -1.26 -4.72 117.00 133.70 3dea n LEU 94 Ca 0.31 0.35 -0.19 0.00 -0.03 0.00 0.00 56.01 56.45 3dea n LEU 94 Cb 0.49 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3dea n LEU 94 CO 0.64 -0.06 -0.25 0.00 -1.33 0.00 0.00 177.39 176.39 3dea n ALA 95 N -1.73 -0.64 -1.77 -1.18 0.00 -1.26 -4.75 120.51 109.18 3dea n ALA 95 Ca 0.05 0.16 -0.38 0.00 0.00 0.00 0.00 53.44 53.27 3dea n ALA 95 Cb 0.41 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 3dea n ALA 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3dea s ASP 96 N -2.06 6.89 0.22 0.00 1.47 -1.26 0.11 116.67 122.05 3dea s ASP 96 Ca 0.00 2.20 -0.08 0.00 1.18 0.00 0.00 52.55 55.85 3dea s ASP 96 Cb 0.00 -2.61 0.28 0.00 -0.34 0.00 0.00 42.92 40.25 3dea s ASP 96 CO 0.00 -0.40 1.83 -0.07 0.68 0.00 0.00 175.17 177.20 3dea h LEU 97 N 3.02 0.67 -1.26 2.11 3.38 -1.94 -3.12 115.31 118.18 3dea h LEU 97 Ca -0.48 0.02 0.17 0.00 0.09 0.00 0.00 57.88 57.69 3dea h LEU 97 Cb 1.22 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 3dea h LEU 97 CO 0.64 0.43 0.60 0.00 0.09 0.00 0.00 178.44 180.20 3dea h ALA 98 N 1.37 1.88 0.00 1.53 0.00 -2.02 -1.52 119.26 120.51 3dea h ALA 98 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3dea h ALA 98 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dea h ALA 98 CO -0.18 -0.18 0.00 0.77 0.00 0.00 0.00 179.25 179.66 3dea h SER 99 N 0.65 0.00 0.00 0.00 0.02 -1.91 -1.82 113.55 110.48 3dea h SER 99 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 3dea h SER 99 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3dea h SER 99 CO -0.25 0.00 0.20 0.78 -1.14 0.00 0.00 176.83 176.42 3dea h ASN 100 N 0.00 0.00 -0.01 3.07 2.35 -1.41 -2.09 115.58 117.50 3dea h ASN 100 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dea h ASN 100 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3dea h ASN 100 CO 0.00 0.00 -0.68 0.49 -1.65 0.00 0.00 177.43 175.59 3dea n PHE 101 N -2.38 0.00 -0.86 1.19 3.72 -0.68 -4.41 117.46 114.04 3dea n PHE 101 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 3dea n PHE 101 Cb 0.23 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.94 3dea n PHE 101 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3dea s LEU 102 N -2.63 2.41 0.26 4.37 1.43 -0.81 -4.87 118.68 118.85 3dea s LEU 102 Ca 0.12 1.88 -0.03 0.00 -1.03 0.00 0.00 54.13 55.07 3dea s LEU 102 Cb 0.15 -4.24 0.40 0.00 0.03 0.00 0.00 46.19 42.54 3dea s LEU 102 CO 0.66 -3.04 1.88 -0.65 0.23 0.00 0.00 176.35 175.42 3dea h PRO 103 N -1.83 1.13 -0.01 1.29 0.11 -1.89 -0.85 132.00 129.94 3dea h PRO 103 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3dea h PRO 103 Cb 1.28 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dea h PRO 103 CO 0.47 0.75 0.00 -0.25 -0.21 0.00 0.00 178.00 178.76 3dea n ASP 104 N -4.51 0.25 0.00 -2.05 10.43 -1.26 -4.89 116.55 114.51 3dea n ASP 104 Ca 0.15 -1.28 0.00 0.00 2.57 0.00 0.00 54.79 56.23 3dea n ASP 104 Cb 0.19 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.14 3dea n ASP 104 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dea n GLY 105 N 0.93 0.74 3.83 0.44 0.00 -0.33 -4.82 105.19 105.99 3dea n GLY 105 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3dea n GLY 105 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dea s THR 106 N -3.03 0.00 0.57 2.61 -1.32 -1.09 -4.01 115.64 109.37 3dea s THR 106 Ca 0.00 -0.83 -0.14 0.00 -1.21 0.00 0.00 61.69 59.51 3dea s THR 106 Cb 0.00 -2.72 -0.06 0.00 -1.51 0.00 0.00 72.50 68.21 3dea s THR 106 CO 0.00 0.00 1.01 -0.94 -2.21 0.00 0.00 174.62 172.48 3dea s SER 107 N -3.16 6.39 0.43 8.08 1.04 -1.26 -4.71 113.70 120.52 3dea s SER 107 Ca 0.17 1.49 0.23 0.00 0.48 0.00 0.00 55.95 58.32 3dea s SER 107 Cb -0.04 -2.49 0.92 0.00 0.10 0.00 0.00 66.02 64.52 3dea s SER 107 CO 0.08 -0.75 1.83 -1.28 0.98 0.00 0.00 173.24 174.10 3dea h SER 108 N 0.24 0.00 0.23 7.02 0.87 -1.99 -2.98 113.55 116.93 3dea h SER 108 Ca -0.45 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.92 3dea h SER 108 Cb 1.19 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3dea h SER 108 CO 0.62 0.25 -0.75 0.00 -0.53 0.00 0.00 176.83 176.42 3dea h ALA 109 N 1.75 0.56 -0.45 6.23 0.00 -1.93 -1.93 119.26 123.48 3dea h ALA 109 Ca -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 3dea h ALA 109 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3dea h ALA 109 CO 0.03 0.76 0.12 0.00 0.00 0.00 0.00 179.25 180.16 3dea h ALA 110 N 0.89 0.60 -0.67 0.00 0.00 -1.77 -1.58 119.26 116.73 3dea h ALA 110 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3dea h ALA 110 Cb 1.33 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3dea h ALA 110 CO 0.13 0.27 0.37 0.82 0.00 0.00 0.00 179.25 180.85 3dea h ILE 111 N 0.60 1.21 -0.15 0.00 2.04 -1.56 -1.68 117.51 117.97 3dea h ILE 111 Ca 0.14 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 3dea h ILE 111 Cb 0.31 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3dea h ILE 111 CO 0.00 0.23 -0.43 0.78 0.00 0.00 0.00 178.15 178.72 3dea h ASN 112 N 0.91 0.38 -0.48 1.72 2.35 -1.27 -1.97 115.58 117.22 3dea h ASN 112 Ca 0.24 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3dea h ASN 112 Cb 0.03 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3dea h ASN 112 CO -0.04 0.77 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.35 3dea h GLU 113 N 0.29 0.90 -0.26 0.81 4.57 -0.99 -0.16 114.58 119.75 3dea h GLU 113 Ca 0.02 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 3dea h GLU 113 Cb 0.89 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 3dea h GLU 113 CO 0.07 0.98 0.11 0.00 -1.18 0.00 0.00 179.01 178.99 3dea h ALA 114 N 0.90 0.34 -0.63 2.92 0.00 -1.21 -1.84 119.26 119.73 3dea h ALA 114 Ca 0.13 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.06 3dea h ALA 114 Cb 0.62 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3dea h ALA 114 CO 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 179.25 179.28 3dea h ARG 115 N 0.28 0.17 -0.46 0.00 3.08 -1.32 -0.86 114.38 115.27 3dea h ARG 115 Ca 0.09 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.19 3dea h ARG 115 Cb 0.16 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3dea h ARG 115 CO -0.01 0.11 0.14 -0.09 -1.07 0.00 0.00 179.97 179.06 3dea h ARG 116 N 0.18 0.29 -0.04 0.04 2.43 -0.75 -1.05 114.38 115.48 3dea h ARG 116 Ca 0.34 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3dea h ARG 116 Cb 0.54 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3dea h ARG 116 CO -0.49 0.19 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.09 3dea h LEU 117 N 0.30 0.07 -0.89 3.80 3.38 -0.86 -0.13 115.31 120.98 3dea h LEU 117 Ca 0.22 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3dea h LEU 117 Cb 0.24 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3dea h LEU 117 CO -0.24 0.40 0.54 -0.26 0.09 0.00 0.00 178.44 178.97 3dea h PHE 118 N -0.25 0.99 -0.39 1.13 0.04 -1.12 -1.30 116.94 116.04 3dea h PHE 118 Ca 0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3dea h PHE 118 Cb 0.37 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3dea h PHE 118 CO 0.04 0.45 0.19 1.15 -0.60 0.00 0.00 178.31 179.55 3dea h THR 119 N 0.93 1.17 -0.66 -1.55 2.02 -1.12 -2.29 112.91 111.42 3dea h THR 119 Ca 0.41 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 67.15 3dea h THR 119 Cb 0.30 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3dea h THR 119 CO -0.22 0.18 0.44 0.25 0.37 0.00 0.00 175.52 176.54 3dea h LEU 120 N 0.49 0.70 -0.42 2.58 6.46 -0.33 -0.94 115.31 123.85 3dea h LEU 120 Ca 0.13 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 3dea h LEU 120 Cb 0.11 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 3dea h LEU 120 CO -0.02 0.49 0.13 0.00 -0.62 0.00 0.00 178.44 178.42 3dea h ALA 121 N 1.61 0.55 -0.35 1.25 0.00 -0.95 -0.19 119.26 121.18 3dea h ALA 121 Ca 0.26 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3dea h ALA 121 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dea h ALA 121 CO -0.07 0.20 -0.43 -0.97 0.00 0.00 0.00 179.25 177.98 3dea h ASN 122 N 0.54 0.96 -0.13 0.00 -0.73 -1.05 0.20 115.58 115.37 3dea h ASN 122 Ca 0.14 -0.46 -0.05 0.00 1.87 0.00 0.00 56.30 57.80 3dea h ASN 122 Cb 0.26 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 3dea h ASN 122 CO -0.00 1.25 -0.10 0.71 -0.37 0.00 0.00 177.43 178.92 3dea h THR 123 N 0.72 1.34 0.06 -3.57 1.35 -1.07 -3.04 112.91 108.69 3dea h THR 123 Ca 0.05 -1.20 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3dea h THR 123 Cb 1.02 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3dea h THR 123 CO 0.10 0.35 -0.03 0.50 -0.25 0.00 0.00 175.52 176.19 3dea h LYS 124 N -0.07 -0.08 -2.32 4.72 1.63 -1.04 -3.41 116.57 116.01 3dea h LYS 124 Ca 0.03 0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 59.25 3dea h LYS 124 Cb 0.59 0.02 -0.39 0.00 -0.60 0.00 0.00 32.23 31.85 3dea h LYS 124 CO 0.03 0.25 -0.95 0.00 -3.45 0.00 0.00 179.45 175.32 3dea n PRO 126 N 2.21 0.02 -0.00 0.00 -0.04 -1.15 -2.36 135.00 133.68 3dea n PRO 126 Ca 0.26 0.45 0.04 0.00 -0.04 0.00 0.00 63.50 64.21 3dea n PRO 126 Cb 0.48 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 3dea n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dea n ASN 127 N -1.58 1.31 -4.75 3.54 3.02 -1.26 -4.98 115.26 110.56 3dea n ASN 127 Ca 0.01 -0.45 -0.38 0.00 -0.03 0.00 0.00 54.58 53.72 3dea n ASN 127 Cb 0.05 1.15 0.04 0.00 -0.61 0.00 0.00 39.78 40.41 3dea n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dea s ALA 128 N -2.14 2.82 -0.24 5.41 0.00 -0.99 -4.97 121.76 121.64 3dea s ALA 128 Ca 0.01 1.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 3dea s ALA 128 Cb 0.06 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3dea s ALA 128 CO 0.38 -1.32 1.00 0.00 0.00 0.00 0.00 175.76 175.82 3dea s ALA 129 N -1.33 3.66 -0.14 0.00 0.00 -0.26 -4.89 121.76 118.81 3dea s ALA 129 Ca 0.71 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 3dea s ALA 129 Cb -0.39 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 3dea s ALA 129 CO 0.46 -1.08 0.61 0.42 0.00 0.00 0.00 175.76 176.17 3dea s ILE 130 N 3.18 5.07 0.18 0.00 1.01 -0.60 -1.05 121.20 129.00 3dea s ILE 130 Ca 0.42 1.19 0.09 0.00 0.00 0.00 0.00 60.65 62.35 3dea s ILE 130 Cb -0.15 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3dea s ILE 130 CO 0.07 0.20 -0.18 0.68 0.00 0.00 0.00 174.94 175.71 3dea s VAL 131 N 1.28 1.90 0.15 2.92 -7.23 -0.39 0.36 120.40 119.40 3dea s VAL 131 Ca 0.30 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 3dea s VAL 131 Cb -0.16 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 3dea s VAL 131 CO 0.12 -0.35 0.29 -0.94 -0.31 0.00 0.00 175.10 173.91 3dea s SER 132 N -2.83 0.02 0.09 4.85 1.04 -0.78 -1.49 113.70 114.60 3dea s SER 132 Ca 0.18 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 55.76 3dea s SER 132 Cb -0.05 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3dea s SER 132 CO 0.08 -0.86 0.22 -0.83 0.98 0.00 0.00 173.24 172.82 3dea s GLY 133 N -2.93 0.04 -0.04 7.32 0.00 -0.59 -1.07 107.32 110.05 3dea s GLY 133 Ca 0.13 -0.50 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 3dea s GLY 133 CO -0.04 -0.69 0.24 -0.32 0.00 0.00 0.00 173.10 172.30 3dea s GLY 134 N -2.75 -0.11 -0.13 0.20 0.00 -0.58 -1.75 107.32 102.20 3dea s GLY 134 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.09 3dea s GLY 134 CO -0.10 0.18 -0.11 -0.47 0.00 0.00 0.00 173.10 172.60 3dea s TYR 135 N -0.83 1.85 0.00 1.90 5.04 -0.95 -0.98 117.35 123.39 3dea s TYR 135 Ca -0.09 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 3dea s TYR 135 Cb -0.05 -1.42 0.00 0.00 0.35 0.00 0.00 41.96 40.84 3dea s TYR 135 CO 0.02 -0.59 0.00 0.45 -1.34 0.00 0.00 175.55 174.10 3dea n SER 136 N 4.80 0.00 0.26 4.32 2.88 -0.31 -2.08 113.62 123.49 3dea n SER 136 Ca -0.15 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.48 3dea n SER 136 Cb 0.50 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.65 3dea n SER 136 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3dea h GLN 137 N 0.00 0.00 0.00 -1.46 4.15 -1.86 -0.92 115.11 115.03 3dea h GLN 137 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3dea h GLN 137 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 3dea h GLN 137 CO 0.00 0.04 -0.10 0.78 -1.93 0.00 0.00 178.83 177.62 3dea h GLY 138 N 0.16 0.00 1.01 2.39 0.00 -0.85 -1.30 103.07 104.48 3dea h GLY 138 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dea h GLY 138 CO 0.01 0.00 0.45 -0.84 0.00 0.00 0.00 176.54 176.16 3dea h THR 139 N 0.00 1.20 -0.01 4.70 2.02 -1.32 0.20 112.91 119.71 3dea h THR 139 Ca -0.00 -0.43 -0.14 0.00 0.77 0.00 0.00 66.41 66.60 3dea h THR 139 Cb 0.28 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3dea h THR 139 CO 0.01 0.21 -0.67 0.00 0.37 0.00 0.00 175.52 175.44 3dea h ALA 140 N 1.24 0.87 -0.42 6.16 0.00 -1.31 -0.65 119.26 125.15 3dea h ALA 140 Ca 0.26 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3dea h ALA 140 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dea h ALA 140 CO -0.05 0.83 -0.13 0.28 0.00 0.00 0.00 179.25 180.18 3dea h VAL 141 N 0.02 1.28 -0.04 0.00 2.07 -0.78 -2.13 116.25 116.67 3dea h VAL 141 Ca -0.01 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3dea h VAL 141 Cb 1.19 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3dea h VAL 141 CO 0.09 0.42 0.00 0.24 0.02 0.00 0.00 177.57 178.34 3dea h MET 142 N 0.64 0.07 -0.40 1.57 2.86 -0.46 -1.79 114.93 117.43 3dea h MET 142 Ca 0.10 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3dea h MET 142 Cb 0.67 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3dea h MET 142 CO 0.05 0.35 0.19 0.00 1.06 0.00 0.00 176.91 178.56 3dea h ALA 143 N 0.72 0.51 -0.39 6.32 0.00 -1.19 -1.89 119.26 123.33 3dea h ALA 143 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3dea h ALA 143 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3dea h ALA 143 CO 0.00 0.07 -0.30 0.78 0.00 0.00 0.00 179.25 179.81 3dea h GLY 144 N 0.50 0.91 0.50 0.00 0.00 -1.40 -2.66 103.07 100.92 3dea h GLY 144 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3dea h GLY 144 CO -0.02 0.77 -0.05 1.48 0.00 0.00 0.00 176.54 178.72 3dea h SER 145 N 0.71 -0.12 -0.70 0.19 4.64 -1.30 -3.33 113.55 113.65 3dea h SER 145 Ca 0.08 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 3dea h SER 145 Cb 0.85 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 3dea h SER 145 CO 0.07 0.37 0.21 0.40 -0.87 0.00 0.00 176.83 177.01 3dea h ILE 146 N -0.64 1.26 -0.09 0.95 2.04 -1.42 -2.53 117.51 117.06 3dea h ILE 146 Ca -0.01 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3dea h ILE 146 Cb 0.51 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3dea h ILE 146 CO 0.02 0.35 0.09 0.77 0.00 0.00 0.00 178.15 179.39 3dea h SER 147 N 1.06 0.00 -0.52 1.72 4.64 -1.60 -2.37 113.55 116.48 3dea h SER 147 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3dea h SER 147 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3dea h SER 147 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3dea n GLY 148 N -1.43 1.88 3.94 -0.77 0.00 -0.96 -4.76 105.19 103.09 3dea n GLY 148 Ca -0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 3dea n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dea s LEU 149 N -1.25 3.89 0.88 0.99 1.43 -0.89 -5.07 118.68 118.65 3dea s LEU 149 Ca 0.42 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 3dea s LEU 149 Cb 0.23 -3.29 0.12 0.00 0.03 0.00 0.00 46.19 43.28 3dea s LEU 149 CO 0.31 -0.42 1.09 -0.94 0.23 0.00 0.00 176.35 176.62 3dea s SER 150 N -4.09 3.58 0.25 2.29 1.04 -1.26 -4.77 113.70 110.73 3dea s SER 150 Ca 0.43 1.68 -0.04 0.00 0.48 0.00 0.00 55.95 58.49 3dea s SER 150 Cb -0.10 -2.33 0.37 0.00 0.10 0.00 0.00 66.02 64.06 3dea s SER 150 CO 0.37 -2.60 1.86 0.74 0.98 0.00 0.00 173.24 174.59 3dea h THR 151 N -1.52 1.05 -0.11 2.02 2.02 -1.98 -1.64 112.91 112.75 3dea h THR 151 Ca -0.48 -0.36 -0.19 0.00 0.77 0.00 0.00 66.41 66.16 3dea h THR 151 Cb 1.27 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3dea h THR 151 CO 0.52 0.19 -0.71 0.71 0.37 0.00 0.00 175.52 176.60 3dea h THR 152 N 1.05 1.35 -0.02 3.16 1.35 -1.99 -1.45 112.91 116.36 3dea h THR 152 Ca 0.40 -2.05 -0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3dea h THR 152 Cb 0.18 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3dea h THR 152 CO -0.18 0.63 -0.01 0.40 -0.25 0.00 0.00 175.52 176.11 3dea h ILE 153 N 0.34 1.33 -0.47 6.82 2.04 -1.88 -3.04 117.51 122.65 3dea h ILE 153 Ca -0.03 -0.98 0.09 0.00 1.00 0.00 0.00 64.86 64.94 3dea h ILE 153 Cb 1.28 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 39.30 3dea h ILE 153 CO 0.13 0.26 0.32 0.11 0.00 0.00 0.00 178.15 178.97 3dea h LYS 154 N -0.37 0.24 -0.20 2.37 1.57 -1.31 -0.23 116.57 118.64 3dea h LYS 154 Ca 0.00 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3dea h LYS 154 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3dea h LYS 154 CO 0.00 0.16 -0.19 -0.97 -0.57 0.00 0.00 179.45 177.88 3dea h ASN 155 N 0.25 0.34 1.63 0.86 -1.24 -1.21 -2.78 115.58 113.43 3dea h ASN 155 Ca 0.22 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3dea h ASN 155 Cb 0.54 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3dea h ASN 155 CO -0.04 0.55 0.00 -0.61 -1.29 0.00 0.00 177.43 176.03 3dea h GLN 156 N 0.32 0.00 -6.61 6.67 4.15 -0.93 -3.42 115.11 115.29 3dea h GLN 156 Ca 0.06 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.91 3dea h GLN 156 Cb 0.52 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 3dea h GLN 156 CO 0.03 0.00 1.01 0.42 -1.93 0.00 0.00 178.83 178.36 3dea s ILE 157 N -3.32 4.03 -0.70 2.39 1.01 -1.05 -1.55 121.20 122.01 3dea s ILE 157 Ca 0.06 1.05 0.24 0.00 0.00 0.00 0.00 60.65 62.00 3dea s ILE 157 Cb 0.07 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3dea s ILE 157 CO 0.62 -0.86 1.21 0.29 0.00 0.00 0.00 174.94 176.19 3dea n LYS 158 N 7.97 0.23 -3.64 2.79 4.76 0.16 -4.95 118.16 125.48 3dea n LYS 158 Ca 0.15 0.03 -0.05 0.00 -2.87 0.00 0.00 58.31 55.57 3dea n LYS 158 Cb 0.48 -1.61 -0.07 0.00 -1.84 0.00 0.00 35.03 31.99 3dea n LYS 158 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3dea s GLY 159 N -3.52 0.16 -0.04 0.72 0.00 -1.25 -4.78 107.32 98.61 3dea s GLY 159 Ca 0.06 3.20 0.00 0.00 0.00 0.00 0.00 44.72 47.98 3dea s GLY 159 CO 0.75 1.93 -0.01 0.14 0.00 0.00 0.00 173.10 175.91 3dea s VAL 160 N 0.14 0.30 -0.16 1.40 1.01 0.70 -1.87 120.40 121.92 3dea s VAL 160 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3dea s VAL 160 Cb -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3dea s VAL 160 CO -0.12 0.19 -0.11 0.68 0.00 0.00 0.00 175.10 175.75 3dea s VAL 161 N 1.28 3.10 -0.15 2.92 -7.23 -0.23 -0.46 120.40 119.62 3dea s VAL 161 Ca -0.06 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3dea s VAL 161 Cb -0.13 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.48 3dea s VAL 161 CO -0.02 0.49 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.31 3dea s LEU 162 N 0.76 2.22 -0.24 1.32 1.43 0.00 -1.53 118.68 122.65 3dea s LEU 162 Ca -0.04 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 3dea s LEU 162 Cb -0.15 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3dea s LEU 162 CO 0.01 0.06 -0.04 -0.36 0.23 0.00 0.00 176.35 176.26 3dea s PHE 163 N 0.92 3.01 -0.94 0.29 0.08 -0.15 0.41 117.98 121.61 3dea s PHE 163 Ca -0.04 -1.17 -0.05 0.00 0.12 0.00 0.00 56.93 55.79 3dea s PHE 163 Cb -0.15 -2.10 -0.06 0.00 -0.57 0.00 0.00 43.02 40.14 3dea s PHE 163 CO -0.04 -0.62 0.83 0.41 -0.10 0.00 0.00 175.22 175.70 3dea n GLY 164 N 4.76 -1.03 3.57 4.36 0.00 0.44 -1.16 105.19 116.13 3dea n GLY 164 Ca -0.17 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 3dea n GLY 164 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dea s TYR 165 N -3.32 1.95 0.46 1.61 5.04 -1.26 -3.36 117.35 118.46 3dea s TYR 165 Ca 0.38 0.63 0.34 0.00 -2.44 0.00 0.00 57.07 55.99 3dea s TYR 165 Cb -0.05 -4.21 1.80 0.00 0.35 0.00 0.00 41.96 39.85 3dea s TYR 165 CO 0.69 -2.35 2.18 1.79 -1.34 0.00 0.00 175.55 176.52 3dea h THR 166 N 6.67 0.28 -0.61 4.34 1.35 -1.77 -1.54 112.91 121.64 3dea h THR 166 Ca -0.28 -0.29 -0.31 0.00 -0.55 0.00 0.00 66.41 64.98 3dea h THR 166 Cb 1.14 1.22 -0.18 0.00 -1.73 0.00 0.00 68.15 68.60 3dea h THR 166 CO 1.15 0.04 0.21 0.29 -0.25 0.00 0.00 175.52 176.96 3dea n LYS 167 N -3.39 2.07 0.01 4.72 4.76 -1.26 -4.73 118.16 120.35 3dea n LYS 167 Ca -0.02 -3.12 -0.10 0.00 -2.87 0.00 0.00 58.31 52.21 3dea n LYS 167 Cb 0.18 -1.97 -0.03 0.00 -1.84 0.00 0.00 35.03 31.36 3dea n LYS 167 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3dea h ASN 168 N 1.07 -0.43 -0.01 4.39 -1.24 -1.51 -1.21 115.58 116.63 3dea h ASN 168 Ca 0.38 0.08 -0.10 0.00 0.71 0.00 0.00 56.30 57.37 3dea h ASN 168 Cb 2.14 0.20 0.01 0.00 0.73 0.00 0.00 38.32 41.40 3dea h ASN 168 CO 0.67 -0.19 -0.38 0.25 -1.29 0.00 0.00 177.43 176.49 3dea h LEU 169 N -0.19 0.35 -1.34 0.34 5.85 -1.85 0.40 115.31 118.87 3dea h LEU 169 Ca 0.08 -0.76 0.06 0.00 0.84 0.00 0.00 57.88 58.11 3dea h LEU 169 Cb 0.30 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3dea h LEU 169 CO -0.21 1.06 0.50 1.56 -0.34 0.00 0.00 178.44 181.00 3dea h GLN 170 N -0.33 0.77 -0.38 1.25 7.50 -1.90 -2.45 115.11 119.57 3dea h GLN 170 Ca -0.05 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.06 3dea h GLN 170 Cb 1.11 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.47 3dea h GLN 170 CO 0.08 0.51 0.00 0.09 -1.50 0.00 0.00 178.83 178.01 3dea n ASN 171 N -4.48 3.36 -3.25 1.46 3.02 -0.46 -4.99 115.26 109.92 3dea n ASN 171 Ca 0.11 -1.96 -0.21 0.00 -0.03 0.00 0.00 54.58 52.49 3dea n ASN 171 Cb 0.22 -0.25 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 3dea n ASN 171 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dea n LEU 172 N 1.37 -3.28 -0.89 3.41 4.32 -0.50 -2.57 117.00 118.85 3dea n LEU 172 Ca 0.18 -0.48 -0.11 0.00 -0.02 0.00 0.00 56.01 55.58 3dea n LEU 172 Cb 0.57 -2.76 -0.04 0.00 -1.62 0.00 0.00 43.42 39.57 3dea n LEU 172 CO 0.15 0.57 -0.11 0.61 -1.22 0.00 0.00 177.39 177.39 3dea n GLY 173 N -1.81 1.15 3.42 -0.72 0.00 0.13 -4.98 105.19 102.38 3dea n GLY 173 Ca -0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 3dea n GLY 173 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dea s ARG 174 N -3.07 1.72 -0.23 1.61 1.70 -1.06 -4.82 118.95 114.80 3dea s ARG 174 Ca 0.00 -1.71 -0.12 0.00 -0.47 0.00 0.00 55.73 53.43 3dea s ARG 174 Cb 0.00 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 3dea s ARG 174 CO 0.00 -0.68 0.23 0.42 -1.08 0.00 0.00 175.30 174.19 3dea s ILE 175 N -3.45 5.32 0.29 4.99 1.01 -1.26 -4.76 121.20 123.34 3dea s ILE 175 Ca 0.33 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 3dea s ILE 175 Cb 0.01 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 38.80 3dea s ILE 175 CO 0.19 0.32 1.52 -2.65 0.00 0.00 0.00 174.94 174.32 3dea n PRO 176 N 4.30 2.50 -1.32 2.79 -0.02 -1.26 -2.54 135.00 139.45 3dea n PRO 176 Ca -0.13 0.89 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3dea n PRO 176 Cb 0.52 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 3dea n PRO 176 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dea n ASN 177 N 1.89 -4.70 -3.97 2.55 3.02 -1.26 -3.98 115.26 108.81 3dea n ASN 177 Ca 0.08 0.27 -0.22 0.00 -0.03 0.00 0.00 54.58 54.68 3dea n ASN 177 Cb 0.36 -3.17 -0.16 0.00 -0.61 0.00 0.00 39.78 36.19 3dea n ASN 177 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dea s PHE 178 N -2.29 1.13 0.21 3.10 5.36 -1.05 -4.91 117.98 119.54 3dea s PHE 178 Ca 0.00 -0.38 -0.32 0.00 -0.96 0.00 0.00 56.93 55.27 3dea s PHE 178 Cb 0.00 -0.87 -0.13 0.00 -0.34 0.00 0.00 43.02 41.67 3dea s PHE 178 CO 0.00 -0.22 1.52 -1.91 -1.46 0.00 0.00 175.22 173.14 3dea n GLU 179 N 3.84 2.20 0.22 10.12 0.00 -1.26 -4.62 120.64 131.14 3dea n GLU 179 Ca -0.24 0.79 0.11 0.00 0.00 0.00 0.00 57.16 57.82 3dea n GLU 179 Cb 0.52 -2.52 0.30 0.00 0.00 0.00 0.00 31.44 29.74 3dea n GLU 179 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3dea h THR 180 N 3.35 0.28 0.00 6.31 1.35 -1.93 -2.57 112.91 119.70 3dea h THR 180 Ca -0.45 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3dea h THR 180 Cb 1.26 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3dea h THR 180 CO 0.82 0.14 -0.02 0.77 -0.25 0.00 0.00 175.52 176.99 3dea h SER 181 N 0.00 0.00 0.48 5.36 4.64 -2.02 -2.37 113.55 119.65 3dea h SER 181 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dea h SER 181 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3dea h SER 181 CO 0.02 0.02 -0.62 0.29 -0.87 0.00 0.00 176.83 175.67 3dea n LYS 182 N -3.15 0.06 -4.05 4.77 5.02 -0.97 -4.92 118.16 114.93 3dea n LYS 182 Ca -0.01 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3dea n LYS 182 Cb 0.24 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 3dea n LYS 182 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dea s THR 183 N -3.04 4.90 -0.09 -0.18 2.01 -0.89 -0.21 115.64 118.13 3dea s THR 183 Ca 0.09 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.08 3dea s THR 183 Cb 0.17 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.54 3dea s THR 183 CO 0.73 0.54 -0.07 -0.70 -0.69 0.00 0.00 174.62 174.43 3dea s GLU 184 N -0.29 1.33 -0.27 4.92 2.56 0.39 -4.95 118.70 122.38 3dea s GLU 184 Ca 0.09 -0.20 -0.10 0.00 0.00 0.00 0.00 54.97 54.76 3dea s GLU 184 Cb -0.12 -1.37 -0.04 0.00 2.00 0.00 0.00 34.13 34.60 3dea s GLU 184 CO 0.01 -0.20 0.14 0.08 -0.56 0.00 0.00 175.26 174.74 3dea s VAL 185 N 1.48 4.87 -0.49 3.70 1.01 -1.26 -0.82 120.40 128.89 3dea s VAL 185 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 3dea s VAL 185 Cb -0.13 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.99 3dea s VAL 185 CO -0.05 0.25 0.45 -0.31 0.00 0.00 0.00 175.10 175.44 3dea s TYR 186 N 1.69 3.21 -0.31 5.22 1.51 0.17 -4.97 117.35 123.87 3dea s TYR 186 Ca 0.07 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 3dea s TYR 186 Cb -0.16 -3.30 0.10 0.00 -0.11 0.00 0.00 41.96 38.49 3dea s TYR 186 CO 0.08 -0.86 0.08 0.00 -1.11 0.00 0.00 175.55 173.74 3dea s ASP 188 N 1.48 5.78 0.40 0.00 -1.08 -1.26 -4.93 116.67 117.06 3dea s ASP 188 Ca 0.09 2.43 0.07 0.00 -0.52 0.00 0.00 52.55 54.62 3dea s ASP 188 Cb -0.18 -2.61 0.84 0.00 -1.46 0.00 0.00 42.92 39.52 3dea s ASP 188 CO -0.21 -1.19 2.02 0.16 0.52 0.00 0.00 175.17 176.47 3dea h ILE 189 N 1.59 1.06 -0.14 4.11 3.07 -2.00 -0.93 117.51 124.26 3dea h ILE 189 Ca -0.50 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.71 3dea h ILE 189 Cb 1.27 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 3dea h ILE 189 CO 0.59 0.11 0.00 0.00 -1.05 0.00 0.00 178.15 177.79 3dea n ALA 190 N -2.47 2.53 -2.56 0.16 0.00 -1.26 -4.82 120.51 112.08 3dea n ALA 190 Ca 0.06 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 3dea n ALA 190 Cb 0.14 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 3dea n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dea s ASP 191 N -1.46 6.39 0.36 0.00 3.68 -0.36 -4.91 116.67 120.36 3dea s ASP 191 Ca 0.28 -0.19 0.13 0.00 2.13 0.00 0.00 52.55 54.90 3dea s ASP 191 Cb 0.15 -2.38 0.68 0.00 -1.45 0.00 0.00 42.92 39.91 3dea s ASP 191 CO 0.22 -0.95 1.79 0.00 0.13 0.00 0.00 175.17 176.37 3dea h ALA 192 N 9.02 1.29 0.00 3.66 0.00 -1.87 -2.48 119.26 128.88 3dea h ALA 192 Ca -0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3dea h ALA 192 Cb 1.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dea h ALA 192 CO 0.97 0.51 -0.09 -0.39 0.00 0.00 0.00 179.25 180.25 3dea h VAL 193 N 0.00 0.34 0.00 0.00 -1.51 -1.91 -2.75 116.25 110.42 3dea h VAL 193 Ca -0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 3dea h VAL 193 Cb 0.73 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3dea h VAL 193 CO 0.05 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.48 3dea n TYR 195 N -1.32 0.88 -2.84 0.00 4.02 -1.04 -4.06 117.16 112.81 3dea n TYR 195 Ca 0.11 -0.72 -0.08 0.00 -0.01 0.00 0.00 57.90 57.21 3dea n TYR 195 Cb 0.22 -0.22 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 3dea n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dea n GLY 196 N 0.04 0.44 3.49 2.72 0.00 -1.23 -4.90 105.19 105.76 3dea n GLY 196 Ca 0.19 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3dea n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dea s PHE 205 N -3.11 2.59 -2.63 1.61 5.36 -1.26 -4.87 117.98 115.67 3dea s PHE 205 Ca 0.18 -0.34 0.24 0.00 -0.96 0.00 0.00 56.93 56.05 3dea s PHE 205 Cb -0.08 -4.35 0.42 0.00 -0.34 0.00 0.00 43.02 38.67 3dea s PHE 205 CO 0.24 -1.72 1.39 1.28 -1.46 0.00 0.00 175.22 174.96 3dea n LEU 206 N 8.11 3.03 -1.66 6.12 4.77 -1.26 -4.52 117.00 131.59 3dea n LEU 206 Ca -0.01 -1.20 -0.08 0.00 -0.03 0.00 0.00 56.01 54.69 3dea n LEU 206 Cb 0.47 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.50 3dea n LEU 206 CO 0.66 0.60 0.19 -1.22 -1.33 0.00 0.00 177.39 176.29 3dea n TYR 207 N 1.26 1.37 -0.03 -1.77 4.01 -1.26 -4.83 117.16 115.91 3dea n TYR 207 Ca 0.17 -1.80 -0.15 0.00 -0.16 0.00 0.00 57.90 55.97 3dea n TYR 207 Cb 0.56 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 39.22 3dea n TYR 207 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dea h GLN 208 N 1.76 0.28 -0.05 -0.72 4.15 -1.99 -1.25 115.11 117.29 3dea h GLN 208 Ca 0.11 -0.24 -0.16 0.00 0.77 0.00 0.00 58.65 59.14 3dea h GLN 208 Cb 1.37 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 3dea h GLN 208 CO 0.36 0.89 -0.67 1.79 -1.93 0.00 0.00 178.83 179.28 3dea h THR 209 N -0.26 1.42 0.01 2.39 1.35 -1.97 -1.13 112.91 114.71 3dea h THR 209 Ca -0.02 -2.16 0.02 0.00 -0.55 0.00 0.00 66.41 63.70 3dea h THR 209 Cb 0.96 2.13 -0.03 0.00 -1.73 0.00 0.00 68.15 69.48 3dea h THR 209 CO 0.06 0.63 -0.13 0.44 -0.25 0.00 0.00 175.52 176.28 3dea h ASP 210 N 0.14 -0.37 -0.30 5.36 3.32 -1.89 0.10 116.42 122.78 3dea h ASP 210 Ca -0.02 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3dea h ASP 210 Cb 1.21 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3dea h ASP 210 CO 0.10 -0.18 0.13 0.00 -1.72 0.00 0.00 179.24 177.57 3dea h ALA 211 N 0.74 0.39 0.00 3.45 0.00 -1.20 0.34 119.26 122.97 3dea h ALA 211 Ca 0.04 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3dea h ALA 211 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dea h ALA 211 CO -0.12 -0.02 -0.72 0.00 0.00 0.00 0.00 179.25 178.39 3dea h ALA 212 N 0.97 0.59 0.00 0.00 0.00 -1.15 -3.38 119.26 116.30 3dea h ALA 212 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3dea h ALA 212 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dea h ALA 212 CO -0.01 0.90 -0.08 0.28 0.00 0.00 0.00 179.25 180.34 3dea n VAL 213 N -3.37 1.03 0.06 0.00 0.31 0.01 -4.78 118.33 111.59 3dea n VAL 213 Ca 0.01 0.34 -0.17 0.00 -0.01 0.00 0.00 64.34 64.51 3dea n VAL 213 Cb 0.79 -1.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.16 3dea n VAL 213 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dea h ALA 214 N 0.00 0.23 -0.11 3.52 0.00 -1.26 -3.18 119.26 118.46 3dea h ALA 214 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 3dea h ALA 214 Cb 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dea h ALA 214 CO 0.00 0.77 -0.13 0.00 0.00 0.00 0.00 179.25 179.89 3dea h ALA 215 N 0.57 0.16 -0.99 0.00 0.00 -0.55 -2.24 119.26 116.22 3dea h ALA 215 Ca -0.11 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3dea h ALA 215 Cb 1.68 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 3dea h ALA 215 CO 0.19 0.04 0.63 -1.35 0.00 0.00 0.00 179.25 178.76 3dea h PRO 216 N -0.13 1.07 -0.45 0.00 0.11 -1.74 -0.15 132.00 130.71 3dea h PRO 216 Ca 0.01 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 3dea h PRO 216 Cb 0.67 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3dea h PRO 216 CO 0.03 0.71 -0.20 0.00 -0.21 0.00 0.00 178.00 178.33 3dea h ARG 217 N 1.10 0.93 -0.17 1.05 3.08 -1.52 0.30 114.38 119.15 3dea h ARG 217 Ca 0.44 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3dea h ARG 217 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3dea h ARG 217 CO -0.19 1.06 0.11 0.35 -1.07 0.00 0.00 179.97 180.23 3dea h PHE 218 N 0.77 0.22 -0.13 3.04 3.57 -0.99 -0.75 116.94 122.66 3dea h PHE 218 Ca 0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3dea h PHE 218 Cb 0.77 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3dea h PHE 218 CO 0.05 0.15 0.02 -0.07 -2.23 0.00 0.00 178.31 176.24 3dea h LEU 219 N 0.22 0.20 -0.66 0.59 3.38 -0.84 -3.03 115.31 115.17 3dea h LEU 219 Ca 0.06 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.85 3dea h LEU 219 Cb -0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3dea h LEU 219 CO -0.01 0.41 0.33 -0.61 0.09 0.00 0.00 178.44 178.65 3dea h GLN 220 N -0.01 0.57 -0.56 1.13 4.15 -0.32 0.16 115.11 120.24 3dea h GLN 220 Ca 0.04 -0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.57 3dea h GLN 220 Cb 0.29 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3dea h GLN 220 CO 0.00 0.38 0.39 0.00 -1.93 0.00 0.00 178.83 177.67 3dea h ALA 221 N 1.39 2.36 0.00 3.38 0.00 -1.05 -2.24 119.26 123.09 3dea h ALA 221 Ca 0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3dea h ALA 221 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3dea h ALA 221 CO -0.24 -0.51 -1.81 2.89 0.00 0.00 0.00 179.25 179.59 3dea n ARG 222 N -4.41 0.65 0.05 0.00 1.85 -0.37 -4.08 116.66 110.33 3dea n ARG 222 Ca 0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 57.85 56.91 3dea n ARG 222 Cb 0.55 -1.62 0.30 0.00 -1.05 0.00 0.00 32.46 30.63 3dea n ARG 222 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3dea h ILE 223 N 0.00 1.22 0.00 8.89 2.04 -0.78 -3.48 117.51 125.39 3dea h ILE 223 Ca -0.13 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3dea h ILE 223 Cb 1.33 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3dea h ILE 223 CO 0.01 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.08