#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 -3.65 -3.46 4.64 -1.92 -3.43 113.55 105.73 3dea h SER 33 Ca 0.00 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.64 3dea h SER 33 Cb 0.00 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.74 3dea h SER 33 CO 0.00 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.29 3dea s THR 34 N -3.25 2.45 -0.08 2.95 2.01 -1.26 0.46 115.64 118.92 3dea s THR 34 Ca 0.05 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 60.72 3dea s THR 34 Cb 0.07 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.26 3dea s THR 34 CO 0.70 0.09 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.45 3dea s ARG 35 N 1.20 2.00 -0.30 4.92 1.81 -1.26 -4.96 118.95 122.36 3dea s ARG 35 Ca -0.04 -0.51 0.15 0.00 -1.72 0.00 0.00 55.73 53.60 3dea s ARG 35 Cb -0.18 -1.63 0.48 0.00 -0.45 0.00 0.00 34.95 33.16 3dea s ARG 35 CO -0.05 0.03 1.12 0.09 -0.68 0.00 0.00 175.30 175.81 3dea n ASN 36 N 3.84 3.09 0.15 0.23 3.02 -1.24 -1.13 115.26 123.22 3dea n ASN 36 Ca -0.21 -2.91 0.01 0.00 -0.03 0.00 0.00 54.58 51.43 3dea n ASN 36 Cb 0.52 -0.44 0.30 0.00 -0.61 0.00 0.00 39.78 39.55 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 2.51 0.10 -0.28 3.52 5.08 -1.63 -1.26 114.58 122.61 3dea h GLU 37 Ca 0.09 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3dea h GLU 37 Cb 1.31 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3dea h GLU 37 CO 0.50 0.48 -0.14 1.25 -1.00 0.00 0.00 179.01 180.10 3dea h LEU 38 N 0.08 0.61 -0.82 1.33 5.85 -1.87 0.31 115.31 120.79 3dea h LEU 38 Ca 0.01 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3dea h LEU 38 Cb 0.73 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3dea h LEU 38 CO 0.05 0.89 0.49 -0.08 -0.34 0.00 0.00 178.44 179.45 3dea h GLU 39 N 0.33 1.13 -0.01 1.25 4.57 -1.84 -2.87 114.58 117.14 3dea h GLU 39 Ca 0.06 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3dea h GLU 39 Cb 0.66 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3dea h GLU 39 CO 0.04 0.80 -0.46 0.25 -1.18 0.00 0.00 179.01 178.46 3dea n THR 40 N -4.43 0.00 -2.03 0.32 -2.24 -0.51 -4.99 114.28 100.39 3dea n THR 40 Ca 0.08 -0.21 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 3dea n THR 40 Cb 0.07 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.38 3dea n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dea s GLY 41 N -2.52 2.75 -0.10 3.38 0.00 0.11 -5.01 107.32 105.92 3dea s GLY 41 Ca 0.19 1.02 -0.13 0.00 0.00 0.00 0.00 44.72 45.80 3dea s GLY 41 CO 0.58 1.42 0.30 -0.45 0.00 0.00 0.00 173.10 174.95 3dea s SER 42 N -1.54 6.55 0.22 1.64 0.15 -1.26 -4.97 113.70 114.48 3dea s SER 42 Ca 0.76 0.65 0.22 0.00 0.70 0.00 0.00 55.95 58.27 3dea s SER 42 Cb -0.31 -2.18 0.93 0.00 -1.71 0.00 0.00 66.02 62.75 3dea s SER 42 CO 0.34 0.23 1.66 -1.54 1.20 0.00 0.00 173.24 175.12 3dea n SER 43 N 2.70 0.55 -0.90 5.45 3.41 -1.26 -1.84 113.62 121.72 3dea n SER 43 Ca -0.14 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 3dea n SER 43 Cb 0.53 -0.76 0.25 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.12 2.75 -2.79 4.04 3.41 -1.26 -4.14 113.62 113.50 3dea n SER 44 Ca 0.02 -1.88 -0.15 0.00 -0.26 0.00 0.00 58.87 56.59 3dea n SER 44 Cb 0.20 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 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 1.06 3.39 -1.77 7.33 0.00 -0.77 -5.11 120.51 124.65 3dea n ALA 45 Ca 0.17 -3.49 -0.40 0.00 0.00 0.00 0.00 53.44 49.72 3dea n ALA 45 Cb 0.52 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.40 1.84 0.11 0.00 0.04 -1.26 -5.03 135.00 128.30 3dea s PRO 47 Ca 0.60 -1.42 -0.14 0.00 0.04 0.00 0.00 61.00 60.07 3dea s PRO 47 Cb -0.45 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.57 3dea s PRO 47 CO 0.59 -1.29 1.46 -0.22 0.04 0.00 0.00 177.00 177.58 3dea h LYS 48 N -0.29 0.73 -4.64 4.56 3.64 -1.81 -3.41 116.57 115.34 3dea h LYS 48 Ca -0.32 -0.35 -0.43 0.00 -1.27 0.00 0.00 60.65 58.28 3dea h LYS 48 Cb 1.27 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.78 3dea h LYS 48 CO 0.39 0.96 -0.79 0.08 -2.27 0.00 0.00 179.45 177.82 3dea s VAL 49 N -4.50 0.82 -0.17 2.00 1.01 -0.68 -1.19 120.40 117.69 3dea s VAL 49 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3dea s VAL 49 Cb 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3dea s VAL 49 CO 0.83 0.25 -0.17 -0.63 0.00 0.00 0.00 175.10 175.38 3dea s ILE 50 N 0.15 2.46 -0.22 2.22 1.01 0.03 -0.28 121.20 126.57 3dea s ILE 50 Ca -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3dea s ILE 50 Cb -0.08 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.36 3dea s ILE 50 CO 0.00 0.52 -0.10 -0.47 0.00 0.00 0.00 174.94 174.89 3dea s TYR 51 N 1.01 2.94 -0.15 3.97 5.04 0.15 -0.95 117.35 129.36 3dea s TYR 51 Ca -0.02 -1.40 0.00 0.00 -2.44 0.00 0.00 57.07 53.22 3dea s TYR 51 Cb -0.15 -2.03 -0.00 0.00 0.35 0.00 0.00 41.96 40.13 3dea s TYR 51 CO -0.04 -0.70 -0.15 0.42 -1.34 0.00 0.00 175.55 173.74 3dea s ILE 52 N 1.36 2.69 -0.05 3.14 1.01 -0.30 -0.00 121.20 129.06 3dea s ILE 52 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3dea s ILE 52 Cb -0.15 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.20 3dea s ILE 52 CO -0.07 0.52 -0.10 0.12 0.00 0.00 0.00 174.94 175.41 3dea s PHE 53 N 0.72 1.18 -0.24 3.97 2.19 0.78 -1.38 117.98 125.19 3dea s PHE 53 Ca -0.07 -0.37 -0.05 0.00 0.33 0.00 0.00 56.93 56.77 3dea s PHE 53 Cb -0.16 -0.88 -0.01 0.00 -1.31 0.00 0.00 43.02 40.67 3dea s PHE 53 CO 0.01 -0.20 0.00 0.00 1.83 0.00 0.00 175.22 176.87 3dea s ALA 54 N 0.53 2.92 1.04 11.12 0.00 -0.62 -0.11 121.76 136.64 3dea s ALA 54 Ca -0.10 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 3dea s ALA 54 Cb -0.13 -1.87 0.21 0.00 0.00 0.00 0.00 23.12 21.34 3dea s ALA 54 CO 0.02 -0.57 1.18 -0.98 0.00 0.00 0.00 175.76 175.40 3dea s ARG 55 N 1.50 0.07 0.52 0.00 1.70 -1.26 -2.17 118.95 119.31 3dea s ARG 55 Ca 0.05 -0.03 -0.08 0.00 -0.47 0.00 0.00 55.73 55.20 3dea s ARG 55 Cb -0.15 -1.74 -0.04 0.00 -0.57 0.00 0.00 34.95 32.44 3dea s ARG 55 CO -0.01 -2.86 0.87 0.00 -1.08 0.00 0.00 175.30 172.23 3dea s ALA 56 N -3.33 3.29 0.09 7.88 0.00 -1.14 -1.87 121.76 126.68 3dea s ALA 56 Ca 0.69 -0.32 -0.36 0.00 0.00 0.00 0.00 51.96 51.97 3dea s ALA 56 Cb -0.10 -2.77 -0.18 0.00 0.00 0.00 0.00 23.12 20.07 3dea s ALA 56 CO 0.54 -0.43 1.08 0.43 0.00 0.00 0.00 175.76 177.38 3dea n SER 57 N -2.32 0.49 0.00 0.00 7.64 -1.26 -1.83 113.62 116.34 3dea n SER 57 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3dea n SER 57 Cb 0.55 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 3dea n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dea n THR 58 N 1.51 0.00 -2.53 0.44 -2.24 0.23 -5.00 114.28 106.71 3dea n THR 58 Ca 0.18 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.57 3dea n THR 58 Cb 0.16 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 3dea n THR 58 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dea s GLU 59 N -0.98 4.50 0.84 -0.78 2.02 -0.76 -5.05 118.70 118.49 3dea s GLU 59 Ca 0.00 1.67 -0.13 0.00 0.02 0.00 0.00 54.97 56.54 3dea s GLU 59 Cb 0.00 -2.97 0.10 0.00 0.10 0.00 0.00 34.13 31.36 3dea s GLU 59 CO 0.00 0.12 1.19 -1.25 0.02 0.00 0.00 175.26 175.35 3dea s PRO 60 N -1.78 1.68 4.21 0.39 0.04 -1.26 -4.78 135.00 133.50 3dea s PRO 60 Ca 0.49 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.58 3dea s PRO 60 Cb -0.28 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3dea s PRO 60 CO 0.36 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 176.02 3dea n GLY 61 N -3.26 1.25 0.18 0.56 0.00 -1.26 -1.87 105.19 100.79 3dea n GLY 61 Ca 0.09 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.56 1.22 -0.00 1.61 0.23 0.06 -4.63 115.26 111.18 3dea n ASN 62 Ca 0.00 -1.11 0.05 0.00 -0.53 0.00 0.00 54.58 52.99 3dea n ASN 62 Cb 0.00 0.20 -0.07 0.00 -2.08 0.00 0.00 39.78 37.83 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 0.03 1.98 0.00 -3.83 2.81 0.17 -3.30 117.12 114.98 3dea n MET 63 Ca 0.03 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3dea n MET 63 Cb 0.12 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.58 0.32 0.00 3.03 0.00 -0.78 -4.16 105.19 105.18 3dea n GLY 64 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.45 0.00 -0.61 -5.35 -1.26 -4.37 119.36 108.22 3dea n ILE 65 Ca 0.00 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3dea n ILE 65 Cb 0.00 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 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 -0.22 0.00 -0.36 7.28 3.41 -1.26 -4.91 113.62 117.56 3dea n SER 66 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 3dea n SER 66 Cb 0.29 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.58 1.62 0.56 7.33 0.00 -1.90 -2.97 119.26 124.48 3dea h ALA 67 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3dea h ALA 67 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dea h ALA 67 CO 0.00 0.06 -0.27 0.78 0.00 0.00 0.00 179.25 179.82 3dea h GLY 68 N 0.86 -0.79 1.24 0.00 0.00 -1.93 -1.43 103.07 101.02 3dea h GLY 68 Ca 0.54 0.29 0.08 0.00 0.00 0.00 0.00 47.33 48.25 3dea h GLY 68 CO -0.33 -0.29 0.30 -0.56 0.00 0.00 0.00 176.54 175.66 3dea h PRO 69 N -0.79 0.00 0.15 4.80 0.13 -1.73 0.23 132.00 134.79 3dea h PRO 69 Ca -0.08 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.81 3dea h PRO 69 Cb 0.58 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.74 3dea h PRO 69 CO 0.13 0.00 -1.04 0.82 -0.23 0.00 0.00 178.00 177.68 3dea h ILE 70 N 0.00 1.40 -0.58 -3.56 2.04 -1.36 -2.47 117.51 112.97 3dea h ILE 70 Ca 0.14 -2.50 -0.10 0.00 1.00 0.00 0.00 64.86 63.40 3dea h ILE 70 Cb 0.73 2.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.77 3dea h ILE 70 CO -0.00 0.73 -0.03 0.58 0.00 0.00 0.00 178.15 179.43 3dea h VAL 71 N -0.07 1.27 -0.40 1.67 2.07 -0.94 -2.88 116.25 116.97 3dea h VAL 71 Ca -0.17 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.19 3dea h VAL 71 Cb 1.79 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 3dea h VAL 71 CO 0.20 0.43 0.20 0.00 0.02 0.00 0.00 177.57 178.41 3dea h ALA 72 N 0.97 0.49 -0.08 1.67 0.00 -0.97 -0.87 119.26 120.47 3dea h ALA 72 Ca 0.16 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3dea h ALA 72 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3dea h ALA 72 CO 0.04 -0.16 -0.53 -0.44 0.00 0.00 0.00 179.25 178.16 3dea h ASP 73 N 0.41 0.25 0.07 0.00 5.19 -1.49 -1.61 116.42 119.24 3dea h ASP 73 Ca 0.17 -0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 3dea h ASP 73 Cb 0.07 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3dea h ASP 73 CO -0.11 0.73 -0.43 0.00 -3.12 0.00 0.00 179.24 176.31 3dea h ALA 74 N 1.27 0.92 -0.11 3.45 0.00 -1.27 -1.05 119.26 122.48 3dea h ALA 74 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 3dea h ALA 74 Cb 0.99 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3dea h ALA 74 CO 0.08 0.64 -0.71 -0.07 0.00 0.00 0.00 179.25 179.19 3dea h LEU 75 N 0.36 0.57 -0.09 0.00 3.38 -1.02 -2.13 115.31 116.38 3dea h LEU 75 Ca 0.03 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3dea h LEU 75 Cb 0.90 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3dea h LEU 75 CO 0.08 1.11 0.00 -0.62 0.09 0.00 0.00 178.44 179.09 3dea n GLU 76 N -3.87 0.23 0.02 1.13 1.02 -0.62 -1.62 120.64 116.92 3dea n GLU 76 Ca -0.05 0.22 -0.20 0.00 -0.02 0.00 0.00 57.16 57.12 3dea n GLU 76 Cb 0.69 -1.79 -0.14 0.00 -0.02 0.00 0.00 31.44 30.19 3dea n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dea h ARG 77 N 0.00 0.24 -1.00 3.49 3.08 -1.12 -1.52 114.38 117.56 3dea h ARG 77 Ca 0.00 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.66 3dea h ARG 77 Cb 0.66 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 3dea h ARG 77 CO 0.00 1.20 0.66 0.82 -1.07 0.00 0.00 179.97 181.58 3dea h ILE 78 N -0.42 1.22 0.00 2.04 2.04 -1.30 -3.36 117.51 117.74 3dea h ILE 78 Ca -0.21 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3dea h ILE 78 Cb 1.63 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3dea h ILE 78 CO 0.09 0.24 -1.29 -1.22 0.00 0.00 0.00 178.15 175.97 3dea n TYR 79 N -4.41 0.00 0.00 1.37 4.02 -0.64 -5.11 117.16 112.39 3dea n TYR 79 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 3dea n TYR 79 Cb 0.04 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 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 2.20 1.82 0.20 2.72 0.00 -0.57 -4.60 105.19 106.95 3dea n GLY 80 Ca -0.02 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 1.02 0.00 4.61 0.00 -1.91 -2.86 119.26 120.12 3dea h ALA 81 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dea h ALA 81 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dea h ALA 81 CO 0.00 0.40 -0.13 -0.91 0.00 0.00 0.00 179.25 178.61 3dea h ASN 82 N 0.00 0.00 -0.58 0.00 -0.26 -1.93 -3.27 115.58 109.54 3dea h ASN 82 Ca -0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3dea h ASN 82 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 3dea h ASN 82 CO 0.04 0.02 0.00 -0.67 -1.06 0.00 0.00 177.43 175.76 3dea n ASP 83 N -2.43 3.94 -3.90 5.81 2.03 -1.08 -4.77 116.55 116.15 3dea n ASP 83 Ca 0.05 -2.21 -0.25 0.00 0.52 0.00 0.00 54.79 52.90 3dea n ASP 83 Cb 0.46 -0.45 -0.17 0.00 -0.72 0.00 0.00 41.12 40.23 3dea n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3dea s VAL 84 N -1.39 0.90 -0.19 5.18 1.01 -1.20 -1.69 120.40 123.03 3dea s VAL 84 Ca 0.43 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 3dea s VAL 84 Cb 0.25 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3dea s VAL 84 CO 0.24 0.34 0.71 0.26 0.00 0.00 0.00 175.10 176.65 3dea s TRP 85 N 1.53 3.39 -0.23 5.22 0.51 0.61 -4.92 118.94 125.06 3dea s TRP 85 Ca 0.01 1.05 -0.09 0.00 -2.12 0.00 0.00 56.10 54.95 3dea s TRP 85 Cb -0.13 -2.88 -0.04 0.00 -0.81 0.00 0.00 33.47 29.60 3dea s TRP 85 CO -0.05 -0.20 0.12 0.08 -0.51 0.00 0.00 176.95 176.38 3dea s VAL 86 N 2.01 5.00 -0.04 4.03 1.01 -1.26 0.30 120.40 131.44 3dea s VAL 86 Ca 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 3dea s VAL 86 Cb -0.16 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.93 3dea s VAL 86 CO 0.11 0.37 -0.01 -1.58 0.00 0.00 0.00 175.10 173.99 3dea s GLN 87 N 1.03 0.50 0.15 2.72 2.00 1.00 -1.49 119.66 125.57 3dea s GLN 87 Ca 0.06 0.06 -0.03 0.00 -2.00 0.00 0.00 55.36 53.45 3dea s GLN 87 Cb -0.14 -0.71 -0.05 0.00 0.80 0.00 0.00 33.01 32.92 3dea s GLN 87 CO 0.04 -0.18 0.37 0.20 -0.50 0.00 0.00 175.29 175.22 3dea s GLY 88 N 1.32 2.09 -0.60 2.59 0.00 -0.28 -0.16 107.32 112.28 3dea s GLY 88 Ca -0.05 -0.67 -0.22 0.00 0.00 0.00 0.00 44.72 43.77 3dea s GLY 88 CO -0.02 -0.61 0.89 0.14 0.00 0.00 0.00 173.10 173.50 3dea s VAL 89 N -1.72 4.46 0.00 1.40 1.01 0.84 -4.85 120.40 121.54 3dea s VAL 89 Ca 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3dea s VAL 89 Cb -0.12 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.69 3dea s VAL 89 CO 0.26 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.73 3dea n GLY 90 N 5.24 1.65 7.00 4.51 0.00 -1.26 -4.65 105.19 117.68 3dea n GLY 90 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.54 0.00 -0.02 0.00 -1.26 -1.63 105.19 110.83 3dea n GLY 91 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.15 -2.27 1.61 -0.04 -1.26 -4.47 135.00 142.72 3dea n PRO 92 Ca 0.00 0.18 -0.36 0.00 -0.04 0.00 0.00 63.50 63.28 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 -2.67 2.04 -0.85 0.54 5.04 -0.64 -4.63 117.35 116.17 3dea s TYR 93 Ca 0.12 0.17 0.26 0.00 -2.44 0.00 0.00 57.07 55.18 3dea s TYR 93 Cb 0.09 -4.33 0.77 0.00 0.35 0.00 0.00 41.96 38.85 3dea s TYR 93 CO 0.23 -2.00 1.65 1.28 -1.34 0.00 0.00 175.55 175.37 3dea n LEU 94 N 11.53 0.47 -3.78 6.97 4.77 -1.26 -4.73 117.00 130.97 3dea n LEU 94 Ca 0.26 0.36 -0.29 0.00 -0.03 0.00 0.00 56.01 56.31 3dea n LEU 94 Cb 0.50 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3dea n LEU 94 CO 0.66 -0.03 0.04 0.00 -1.33 0.00 0.00 177.39 176.73 3dea n ALA 95 N -1.65 -1.20 -1.79 -1.18 0.00 -1.26 -4.71 120.51 108.72 3dea n ALA 95 Ca 0.05 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 3dea n ALA 95 Cb 0.39 -3.81 -0.05 0.00 0.00 0.00 0.00 19.45 15.98 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 -3.10 6.69 0.25 0.00 1.47 -1.26 0.76 116.67 121.48 3dea s ASP 96 Ca 0.60 1.92 -0.01 0.00 1.18 0.00 0.00 52.55 56.24 3dea s ASP 96 Cb -0.31 -2.57 0.32 0.00 -0.34 0.00 0.00 42.92 40.02 3dea s ASP 96 CO 0.73 -0.54 1.70 0.25 0.68 0.00 0.00 175.17 177.99 3dea h LEU 97 N 2.12 0.64 -0.86 2.11 5.85 -1.94 -3.06 115.31 120.17 3dea h LEU 97 Ca -0.49 -0.21 0.15 0.00 0.84 0.00 0.00 57.88 58.17 3dea h LEU 97 Cb 1.21 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 3dea h LEU 97 CO 0.61 0.84 0.45 0.00 -0.34 0.00 0.00 178.44 180.00 3dea h ALA 98 N 1.21 1.30 0.00 1.25 0.00 -2.03 -2.85 119.26 118.15 3dea h ALA 98 Ca 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dea h ALA 98 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dea h ALA 98 CO 0.05 -0.09 -0.09 0.77 0.00 0.00 0.00 179.25 179.88 3dea h SER 99 N 0.63 0.00 -0.23 0.00 0.02 -1.91 -0.53 113.55 111.53 3dea h SER 99 Ca 0.47 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.49 3dea h SER 99 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3dea h SER 99 CO -0.37 0.09 0.57 0.78 -1.14 0.00 0.00 176.83 176.77 3dea h ASN 100 N 0.00 0.00 -0.10 3.07 2.35 -1.63 -1.51 115.58 117.76 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 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3dea h ASN 100 CO 0.01 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.28 3dea n PHE 101 N -3.09 0.10 -1.98 1.19 3.72 -0.21 -4.40 117.46 112.80 3dea n PHE 101 Ca 0.04 -0.05 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 3dea n PHE 101 Cb 0.67 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.23 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 -1.88 3.47 0.52 4.37 1.43 -0.59 -4.94 118.68 121.07 3dea s LEU 102 Ca 0.30 1.86 0.27 0.00 -1.03 0.00 0.00 54.13 55.52 3dea s LEU 102 Cb 0.20 -4.54 1.38 0.00 0.03 0.00 0.00 46.19 43.27 3dea s LEU 102 CO 0.30 -1.27 1.93 1.55 0.23 0.00 0.00 176.35 179.09 3dea h PRO 103 N 0.34 0.06 -0.13 1.29 0.13 -1.88 -1.41 132.00 130.41 3dea h PRO 103 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dea h PRO 103 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dea h PRO 103 CO 0.57 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 3dea n ASP 104 N -4.35 1.44 0.00 1.44 8.00 -1.26 -4.88 116.55 116.94 3dea n ASP 104 Ca 0.15 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3dea n ASP 104 Cb 0.77 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 3dea n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dea n GLY 105 N 1.09 0.73 3.30 0.44 0.00 -0.53 -4.81 105.19 105.41 3dea n GLY 105 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 3dea n GLY 105 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dea n THR 106 N -2.39 0.00 -2.73 2.61 5.66 -1.11 -3.95 114.28 112.36 3dea n THR 106 Ca 0.00 -0.64 -0.36 0.00 -3.05 0.00 0.00 64.05 60.00 3dea n THR 106 Cb 0.02 0.75 -0.06 0.00 -1.55 0.00 0.00 70.33 69.48 3dea n THR 106 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dea s SER 107 N -2.98 7.16 0.45 1.09 1.04 -1.26 -4.72 113.70 114.49 3dea s SER 107 Ca 0.17 1.86 0.17 0.00 0.48 0.00 0.00 55.95 58.63 3dea s SER 107 Cb -0.03 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.62 3dea s SER 107 CO 0.07 -0.20 1.96 -1.28 0.98 0.00 0.00 173.24 174.78 3dea h SER 108 N 2.86 0.30 0.63 7.02 0.87 -1.99 -1.64 113.55 121.61 3dea h SER 108 Ca -0.47 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 59.99 3dea h SER 108 Cb 1.19 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 3dea h SER 108 CO 0.64 0.17 -0.50 0.00 -0.53 0.00 0.00 176.83 176.61 3dea h ALA 109 N 1.69 1.06 -0.06 6.23 0.00 -1.92 -1.29 119.26 124.96 3dea h ALA 109 Ca 0.30 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 3dea h ALA 109 Cb 0.73 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3dea h ALA 109 CO -0.08 0.63 -0.67 0.00 0.00 0.00 0.00 179.25 179.13 3dea h ALA 110 N 1.50 0.16 -0.09 0.00 0.00 -1.59 -1.89 119.26 117.36 3dea h ALA 110 Ca -0.01 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.35 3dea h ALA 110 Cb 0.95 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3dea h ALA 110 CO 0.07 0.47 -0.02 0.82 0.00 0.00 0.00 179.25 180.58 3dea h ILE 111 N 0.17 0.91 -0.84 0.00 2.04 -1.19 -1.35 117.51 117.25 3dea h ILE 111 Ca -0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3dea h ILE 111 Cb 1.34 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 3dea h ILE 111 CO 0.14 0.00 0.49 0.78 0.00 0.00 0.00 178.15 179.56 3dea h ASN 112 N -0.01 0.72 -0.57 1.72 4.21 -1.27 -1.19 115.58 119.20 3dea h ASN 112 Ca 0.04 0.04 -0.07 0.00 1.21 0.00 0.00 56.30 57.52 3dea h ASN 112 Cb 0.07 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 3dea h ASN 112 CO -0.09 0.43 0.09 -0.08 -1.29 0.00 0.00 177.43 176.48 3dea h GLU 113 N 0.84 0.95 -0.60 0.81 4.57 -0.98 0.37 114.58 120.53 3dea h GLU 113 Ca 0.39 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3dea h GLU 113 Cb 0.32 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3dea h GLU 113 CO -0.23 0.91 0.31 0.00 -1.18 0.00 0.00 179.01 178.82 3dea h ALA 114 N 1.00 0.78 -0.43 2.92 0.00 -0.95 -1.97 119.26 120.61 3dea h ALA 114 Ca 0.17 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dea h ALA 114 Cb 0.42 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dea h ALA 114 CO 0.01 0.32 0.26 0.00 0.00 0.00 0.00 179.25 179.84 3dea h ARG 115 N 0.82 0.59 -0.57 0.00 3.08 -0.91 -1.75 114.38 115.64 3dea h ARG 115 Ca 0.21 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.32 3dea h ARG 115 Cb 0.09 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 29.91 3dea h ARG 115 CO -0.03 0.45 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.14 3dea h ARG 116 N 0.57 0.04 -0.32 0.04 2.43 -0.74 0.11 114.38 116.50 3dea h ARG 116 Ca 0.15 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 3dea h ARG 116 Cb 0.01 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3dea h ARG 116 CO -0.03 0.03 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.15 3dea h LEU 117 N 0.04 0.77 -1.26 3.80 3.38 -0.95 0.22 115.31 121.31 3dea h LEU 117 Ca 0.28 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dea h LEU 117 Cb 0.45 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3dea h LEU 117 CO -0.55 1.05 0.45 -0.26 0.09 0.00 0.00 178.44 179.22 3dea h PHE 118 N 0.50 0.91 -0.30 1.13 0.04 -1.20 -1.74 116.94 116.28 3dea h PHE 118 Ca 0.06 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 3dea h PHE 118 Cb 0.80 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3dea h PHE 118 CO 0.07 0.59 -0.40 1.15 -0.60 0.00 0.00 178.31 179.11 3dea h THR 119 N 0.97 1.29 -0.47 -1.55 2.02 -0.69 -2.95 112.91 111.53 3dea h THR 119 Ca 0.26 -1.58 -0.11 0.00 0.77 0.00 0.00 66.41 65.75 3dea h THR 119 Cb -0.08 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3dea h THR 119 CO -0.05 0.51 -0.15 0.25 0.37 0.00 0.00 175.52 176.45 3dea h LEU 120 N 0.60 0.89 -0.67 2.58 6.46 -0.51 -1.29 115.31 123.37 3dea h LEU 120 Ca 0.05 -0.30 0.03 0.00 -0.12 0.00 0.00 57.88 57.54 3dea h LEU 120 Cb 0.95 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 3dea h LEU 120 CO 0.09 1.04 0.41 0.00 -0.62 0.00 0.00 178.44 179.36 3dea h ALA 121 N 1.04 0.88 -0.17 1.25 0.00 -1.28 -0.06 119.26 120.91 3dea h ALA 121 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3dea h ALA 121 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3dea h ALA 121 CO 0.05 0.16 -0.45 -0.97 0.00 0.00 0.00 179.25 178.04 3dea h ASN 122 N 0.80 0.46 -0.19 0.00 -0.73 -1.31 0.27 115.58 114.89 3dea h ASN 122 Ca 0.28 -0.21 -0.04 0.00 1.87 0.00 0.00 56.30 58.19 3dea h ASN 122 Cb 0.05 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 3dea h ASN 122 CO -0.12 0.85 -0.05 0.74 -0.37 0.00 0.00 177.43 178.48 3dea h THR 123 N 0.35 1.29 0.00 -3.57 2.02 -0.96 -2.91 112.91 109.13 3dea h THR 123 Ca 0.02 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 3dea h THR 123 Cb 0.93 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3dea h THR 123 CO 0.08 0.31 -0.08 0.11 0.37 0.00 0.00 175.52 176.32 3dea h LYS 124 N 0.08 0.00 -2.17 6.66 1.57 -0.98 -3.41 116.57 118.32 3dea h LYS 124 Ca 0.05 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.24 3dea h LYS 124 Cb 0.50 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.40 3dea h LYS 124 CO 0.02 0.84 -0.80 0.00 -0.57 0.00 0.00 179.45 178.95 3dea h PRO 126 N 4.21 0.00 -0.01 0.00 0.13 -1.62 -2.20 132.00 132.52 3dea h PRO 126 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3dea h PRO 126 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3dea h PRO 126 CO 0.68 0.00 -0.56 0.09 -0.23 0.00 0.00 178.00 177.98 3dea n ASN 127 N -2.80 1.53 -4.78 1.44 3.02 -1.26 -4.96 115.26 107.45 3dea n ASN 127 Ca -0.02 -1.21 -0.35 0.00 -0.03 0.00 0.00 54.58 52.96 3dea n ASN 127 Cb 0.06 0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.63 2.90 -0.06 5.41 0.00 -0.83 -5.02 121.76 121.54 3dea s ALA 128 Ca 0.17 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 3dea s ALA 128 Cb 0.18 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 3dea s ALA 128 CO 0.64 -0.43 1.01 0.00 0.00 0.00 0.00 175.76 176.98 3dea s ALA 129 N -1.79 3.32 -0.10 0.00 0.00 -0.33 -4.91 121.76 117.94 3dea s ALA 129 Ca 0.66 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 3dea s ALA 129 Cb -0.21 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3dea s ALA 129 CO 0.25 -0.47 0.40 0.42 0.00 0.00 0.00 175.76 176.36 3dea s ILE 130 N 1.63 5.19 0.09 0.00 1.01 -0.41 -0.79 121.20 127.93 3dea s ILE 130 Ca 0.50 0.80 0.07 0.00 0.00 0.00 0.00 60.65 62.02 3dea s ILE 130 Cb -0.20 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3dea s ILE 130 CO 0.22 0.40 -0.18 0.68 0.00 0.00 0.00 174.94 176.07 3dea s VAL 131 N 0.18 1.45 0.11 2.92 -7.23 -0.13 0.02 120.40 117.73 3dea s VAL 131 Ca 0.22 -1.48 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3dea s VAL 131 Cb -0.15 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 3dea s VAL 131 CO 0.09 -0.16 0.11 -0.94 -0.31 0.00 0.00 175.10 173.89 3dea s SER 132 N -1.90 0.26 0.09 4.85 1.04 -0.76 -1.15 113.70 116.13 3dea s SER 132 Ca 0.04 -0.96 -0.09 0.00 0.48 0.00 0.00 55.95 55.42 3dea s SER 132 Cb -0.10 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 3dea s SER 132 CO 0.03 -0.73 0.20 -0.83 0.98 0.00 0.00 173.24 172.89 3dea s GLY 133 N -2.96 0.11 0.01 7.32 0.00 -0.48 -0.68 107.32 110.65 3dea s GLY 133 Ca 0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 3dea s GLY 133 CO -0.04 -0.80 0.02 -0.32 0.00 0.00 0.00 173.10 171.96 3dea s GLY 134 N -2.87 0.14 -0.16 0.20 0.00 -0.50 -1.59 107.32 102.55 3dea s GLY 134 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.43 3dea s GLY 134 CO -0.10 -0.43 -0.18 -0.47 0.00 0.00 0.00 173.10 171.92 3dea s TYR 135 N -1.17 2.76 0.00 1.90 5.04 -0.92 -1.13 117.35 123.82 3dea s TYR 135 Ca -0.13 -1.27 0.00 0.00 -2.44 0.00 0.00 57.07 53.24 3dea s TYR 135 Cb -0.08 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.35 3dea s TYR 135 CO -0.00 -0.60 0.00 0.45 -1.34 0.00 0.00 175.55 174.06 3dea n SER 136 N 4.23 0.00 0.24 4.32 2.88 -0.18 -1.49 113.62 123.62 3dea n SER 136 Ca -0.20 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.42 3dea n SER 136 Cb 0.51 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.56 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 -1.84 -2.16 115.11 113.80 3dea h GLN 137 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3dea h GLN 137 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3dea h GLN 137 CO 0.00 0.15 -0.19 0.78 -1.93 0.00 0.00 178.83 177.64 3dea h GLY 138 N 0.56 0.00 0.58 2.39 0.00 -0.52 -0.93 103.07 105.15 3dea h GLY 138 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3dea h GLY 138 CO 0.02 0.00 0.54 -0.84 0.00 0.00 0.00 176.54 176.26 3dea h THR 139 N 0.00 0.96 -0.13 4.70 2.02 -1.52 -0.60 112.91 118.34 3dea h THR 139 Ca -0.00 -0.31 -0.23 0.00 0.77 0.00 0.00 66.41 66.63 3dea h THR 139 Cb 0.35 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3dea h THR 139 CO 0.03 0.17 -0.82 0.00 0.37 0.00 0.00 175.52 175.26 3dea h ALA 140 N 1.46 0.30 -0.48 6.16 0.00 -1.20 -1.63 119.26 123.86 3dea h ALA 140 Ca 0.42 -0.62 0.07 0.00 0.00 0.00 0.00 54.91 54.78 3dea h ALA 140 Cb 0.32 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3dea h ALA 140 CO -0.23 0.69 0.15 0.28 0.00 0.00 0.00 179.25 180.14 3dea h VAL 141 N 0.51 0.81 0.52 0.00 2.07 -1.15 -1.18 116.25 117.83 3dea h VAL 141 Ca -0.06 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3dea h VAL 141 Cb 1.45 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3dea h VAL 141 CO 0.17 0.06 -0.25 0.24 0.02 0.00 0.00 177.57 177.80 3dea h MET 142 N 0.31 -0.68 -0.73 1.57 2.86 -1.03 -1.37 114.93 115.86 3dea h MET 142 Ca 0.23 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 58.02 3dea h MET 142 Cb 0.26 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.00 3dea h MET 142 CO -0.26 -0.37 0.35 0.00 1.06 0.00 0.00 176.91 177.69 3dea h ALA 143 N -0.63 1.01 -0.24 6.32 0.00 -1.36 0.16 119.26 124.53 3dea h ALA 143 Ca -0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dea h ALA 143 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dea h ALA 143 CO 0.12 -0.07 0.05 0.78 0.00 0.00 0.00 179.25 180.13 3dea h GLY 144 N 0.58 0.42 0.42 0.00 0.00 -1.17 -2.73 103.07 100.60 3dea h GLY 144 Ca 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3dea h GLY 144 CO -0.29 0.25 -0.01 1.48 0.00 0.00 0.00 176.54 177.96 3dea h SER 145 N 0.21 -0.03 -0.87 0.19 4.64 -1.01 -3.31 113.55 113.37 3dea h SER 145 Ca 0.08 -0.54 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 3dea h SER 145 Cb 0.29 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 3dea h SER 145 CO 0.00 0.54 0.47 0.40 -0.87 0.00 0.00 176.83 177.37 3dea h ILE 146 N -0.62 1.26 0.00 0.95 2.04 -1.04 -2.84 117.51 117.25 3dea h ILE 146 Ca -0.00 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3dea h ILE 146 Cb 0.57 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3dea h ILE 146 CO 0.01 0.29 -0.10 0.77 0.00 0.00 0.00 178.15 179.12 3dea h SER 147 N 1.22 0.00 -0.59 1.72 4.64 -1.58 -1.91 113.55 117.05 3dea h SER 147 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3dea h SER 147 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3dea h SER 147 CO -0.05 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3dea n GLY 148 N -0.45 2.18 3.88 -0.77 0.00 -1.08 -4.80 105.19 104.15 3dea n GLY 148 Ca -0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.21 3.45 0.96 0.99 1.43 -0.72 -5.05 118.68 118.53 3dea s LEU 149 Ca 0.45 1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 54.72 3dea s LEU 149 Cb 0.25 -4.26 0.17 0.00 0.03 0.00 0.00 46.19 42.38 3dea s LEU 149 CO 0.33 -0.70 1.13 -1.54 0.23 0.00 0.00 176.35 175.79 3dea n SER 150 N -2.32 -0.01 0.16 2.29 3.41 -1.26 -4.77 113.62 111.12 3dea n SER 150 Ca 0.04 0.32 0.04 0.00 -0.26 0.00 0.00 58.87 59.01 3dea n SER 150 Cb 0.54 -1.44 0.44 0.00 -0.26 0.00 0.00 64.21 63.49 3dea n SER 150 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3dea h THR 151 N -2.04 1.15 -0.25 6.66 1.35 -1.98 -1.12 112.91 116.68 3dea h THR 151 Ca -0.46 -0.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 3dea h THR 151 Cb 1.28 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 3dea h THR 151 CO 0.42 0.21 0.08 0.74 -0.25 0.00 0.00 175.52 176.72 3dea h THR 152 N 0.15 1.20 -0.07 6.82 2.02 -1.99 0.27 112.91 121.31 3dea h THR 152 Ca 0.03 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 3dea h THR 152 Cb 0.33 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3dea h THR 152 CO 0.02 0.20 -0.18 0.40 0.37 0.00 0.00 175.52 176.34 3dea h ILE 153 N 0.23 1.42 -0.71 3.11 2.04 -1.90 -2.90 117.51 118.80 3dea h ILE 153 Ca 0.08 -1.53 0.14 0.00 1.00 0.00 0.00 64.86 64.55 3dea h ILE 153 Cb 0.24 2.25 -0.09 0.00 -0.74 0.00 0.00 36.82 38.47 3dea h ILE 153 CO -0.00 0.43 0.24 0.11 0.00 0.00 0.00 178.15 178.93 3dea h LYS 154 N -0.25 0.37 -0.79 2.37 1.57 -1.20 -0.94 116.57 117.70 3dea h LYS 154 Ca -0.00 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3dea h LYS 154 Cb 0.78 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 3dea h LYS 154 CO 0.04 0.24 0.52 -0.97 -0.57 0.00 0.00 179.45 178.71 3dea h ASN 155 N 0.38 0.71 1.09 0.86 -0.73 -0.92 -1.47 115.58 115.50 3dea h ASN 155 Ca 0.39 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.56 3dea h ASN 155 Cb 0.59 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.04 3dea h ASN 155 CO -0.41 0.45 -0.04 -0.61 -0.37 0.00 0.00 177.43 176.45 3dea h GLN 156 N 0.80 0.00 -6.28 6.67 4.15 -0.97 -3.41 115.11 116.07 3dea h GLN 156 Ca 0.35 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 59.19 3dea h GLN 156 Cb 0.33 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.92 3dea h GLN 156 CO -0.13 0.04 0.77 0.42 -1.93 0.00 0.00 178.83 178.00 3dea s ILE 157 N -3.63 4.23 -0.07 2.39 1.01 -0.55 -1.29 121.20 123.29 3dea s ILE 157 Ca 0.02 0.69 0.13 0.00 0.00 0.00 0.00 60.65 61.49 3dea s ILE 157 Cb 0.09 -4.61 -0.10 0.00 0.01 0.00 0.00 42.46 37.85 3dea s ILE 157 CO 0.57 -1.15 1.10 0.11 0.00 0.00 0.00 174.94 175.57 3dea h LYS 158 N 9.36 0.00 -1.87 2.79 1.79 -0.65 -3.47 116.57 124.53 3dea h LYS 158 Ca -0.25 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 3dea h LYS 158 Cb 1.07 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.51 3dea h LYS 158 CO 1.12 0.54 0.28 0.20 -1.08 0.00 0.00 179.45 180.52 3dea s GLY 159 N -4.71 -0.47 -0.10 3.86 0.00 -1.25 -4.70 107.32 99.96 3dea s GLY 159 Ca -0.00 1.71 0.03 0.00 0.00 0.00 0.00 44.72 46.46 3dea s GLY 159 CO 0.79 1.18 -0.19 0.14 0.00 0.00 0.00 173.10 175.02 3dea s VAL 160 N -0.80 1.74 -0.26 1.40 1.01 0.29 -1.83 120.40 121.95 3dea s VAL 160 Ca -0.06 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 3dea s VAL 160 Cb -0.01 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3dea s VAL 160 CO 0.05 0.49 0.04 0.68 0.00 0.00 0.00 175.10 176.36 3dea s VAL 161 N 0.57 3.86 -0.20 2.92 -7.23 0.15 -0.85 120.40 119.61 3dea s VAL 161 Ca -0.15 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.49 3dea s VAL 161 Cb -0.17 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 3dea s VAL 161 CO 0.05 0.26 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.32 3dea s LEU 162 N 1.52 3.06 -0.22 1.32 1.43 -0.02 -1.41 118.68 124.37 3dea s LEU 162 Ca 0.05 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3dea s LEU 162 Cb -0.16 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3dea s LEU 162 CO 0.01 0.03 -0.06 -0.36 0.23 0.00 0.00 176.35 176.20 3dea s PHE 163 N 1.16 2.96 -0.54 0.29 0.08 -0.28 0.13 117.98 121.78 3dea s PHE 163 Ca 0.02 -1.11 -0.01 0.00 0.12 0.00 0.00 56.93 55.96 3dea s PHE 163 Cb -0.15 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3dea s PHE 163 CO 0.00 -0.61 0.50 0.41 -0.10 0.00 0.00 175.22 175.43 3dea n GLY 164 N 4.76 -0.83 3.56 4.36 0.00 -0.46 -1.02 105.19 115.57 3dea n GLY 164 Ca -0.18 0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.06 2.41 0.38 1.61 5.04 -1.26 -2.97 117.35 119.50 3dea s TYR 165 Ca 0.07 -0.54 0.25 0.00 -2.44 0.00 0.00 57.07 54.41 3dea s TYR 165 Cb -0.01 -4.63 1.36 0.00 0.35 0.00 0.00 41.96 39.03 3dea s TYR 165 CO 0.50 -1.96 1.73 1.79 -1.34 0.00 0.00 175.55 176.28 3dea h THR 166 N 6.68 0.00 -0.27 4.34 1.35 -1.75 0.16 112.91 123.42 3dea h THR 166 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3dea h THR 166 Cb 1.02 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3dea h THR 166 CO 1.38 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.94 3dea n LYS 167 N -2.58 2.83 -0.19 4.72 4.76 -1.26 -4.69 118.16 121.75 3dea n LYS 167 Ca -0.02 -2.49 -0.00 0.00 -2.87 0.00 0.00 58.31 52.93 3dea n LYS 167 Cb 0.30 -1.58 0.08 0.00 -1.84 0.00 0.00 35.03 31.99 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 1.72 -0.30 0.52 4.39 -1.24 -0.94 0.54 115.58 120.27 3dea h ASN 168 Ca 0.00 0.15 -0.29 0.00 0.71 0.00 0.00 56.30 56.86 3dea h ASN 168 Cb 1.12 0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.44 3dea h ASN 168 CO 0.12 -0.12 -1.39 0.25 -1.29 0.00 0.00 177.43 175.01 3dea h LEU 169 N 0.09 0.45 -1.14 0.34 6.46 -1.83 0.86 115.31 120.54 3dea h LEU 169 Ca 0.29 -0.53 -0.07 0.00 -0.12 0.00 0.00 57.88 57.45 3dea h LEU 169 Cb 0.46 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 3dea h LEU 169 CO -0.50 1.43 -0.12 1.56 -0.62 0.00 0.00 178.44 180.18 3dea h GLN 170 N 0.08 0.46 -0.12 1.25 7.50 -1.80 -3.00 115.11 119.48 3dea h GLN 170 Ca -0.19 -0.13 0.00 0.00 0.50 0.00 0.00 58.65 58.83 3dea h GLN 170 Cb 2.01 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 29.49 3dea h GLN 170 CO 0.19 0.58 0.00 0.09 -1.50 0.00 0.00 178.83 178.20 3dea n ASN 171 N -4.21 2.34 -3.07 1.46 3.02 0.15 -5.01 115.26 109.93 3dea n ASN 171 Ca 0.00 -1.66 -0.18 0.00 -0.03 0.00 0.00 54.58 52.72 3dea n ASN 171 Cb 0.31 -0.07 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.72 -3.38 0.00 3.41 4.77 -0.44 -2.65 117.00 119.43 3dea n LEU 172 Ca 0.09 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3dea n LEU 172 Cb 0.36 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 3dea n LEU 172 CO 0.08 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3dea n GLY 173 N -1.51 0.17 3.63 -0.72 0.00 0.28 -4.98 105.19 102.06 3dea n GLY 173 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.30 2.08 -0.21 1.61 3.03 -1.08 -4.80 118.95 118.28 3dea s ARG 174 Ca 0.00 -1.76 -0.16 0.00 2.03 0.00 0.00 55.73 55.84 3dea s ARG 174 Cb 0.00 -1.92 -0.04 0.00 -1.03 0.00 0.00 34.95 31.96 3dea s ARG 174 CO 0.00 0.12 0.40 0.42 -1.13 0.00 0.00 175.30 175.11 3dea s ILE 175 N -2.53 5.19 0.43 4.99 1.01 -1.26 -4.78 121.20 124.26 3dea s ILE 175 Ca 0.35 0.70 -0.25 0.00 0.00 0.00 0.00 60.65 61.45 3dea s ILE 175 Cb 0.00 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 3dea s ILE 175 CO 0.19 0.24 1.28 -2.65 0.00 0.00 0.00 174.94 174.00 3dea n PRO 176 N 4.54 1.93 -1.71 2.79 -0.02 -1.26 -2.68 135.00 138.58 3dea n PRO 176 Ca -0.08 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 3dea n PRO 176 Cb 0.51 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.14 -5.04 -3.78 2.55 3.02 -1.26 -4.20 115.26 106.69 3dea n ASN 177 Ca 0.07 0.31 -0.13 0.00 -0.03 0.00 0.00 54.58 54.79 3dea n ASN 177 Cb 0.40 -4.07 -0.14 0.00 -0.61 0.00 0.00 39.78 35.36 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 -2.69 -0.17 0.28 3.10 5.36 -1.09 -4.89 117.98 117.87 3dea s PHE 178 Ca 0.00 0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 56.13 3dea s PHE 178 Cb 0.00 -0.02 -0.11 0.00 -0.34 0.00 0.00 43.02 42.55 3dea s PHE 178 CO 0.00 -0.14 1.59 -1.83 -1.46 0.00 0.00 175.22 173.38 3dea s GLU 179 N 0.74 4.14 0.31 10.12 1.03 -1.26 -4.53 118.70 129.24 3dea s GLU 179 Ca -0.05 2.55 0.02 0.00 0.03 0.00 0.00 54.97 57.52 3dea s GLU 179 Cb -0.07 -3.04 0.52 0.00 -0.80 0.00 0.00 34.13 30.74 3dea s GLU 179 CO -0.04 -0.62 1.85 1.15 -1.33 0.00 0.00 175.26 176.27 3dea h THR 180 N 3.44 1.21 0.00 1.83 2.02 -1.91 -2.48 112.91 117.02 3dea h THR 180 Ca -0.47 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 65.91 3dea h THR 180 Cb 1.22 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3dea h THR 180 CO 0.80 0.29 0.00 0.77 0.37 0.00 0.00 175.52 177.75 3dea h SER 181 N 0.62 0.00 -0.00 4.18 4.64 -2.00 0.41 113.55 121.40 3dea h SER 181 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3dea h SER 181 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3dea h SER 181 CO 0.01 0.00 -0.37 0.29 -0.87 0.00 0.00 176.83 175.89 3dea n LYS 182 N -3.02 1.41 -4.28 4.77 5.02 -0.94 -4.93 118.16 116.19 3dea n LYS 182 Ca -0.03 -1.15 -0.34 0.00 -2.02 0.00 0.00 58.31 54.77 3dea n LYS 182 Cb 0.07 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.38 3.07 -0.25 -0.18 2.01 0.14 -0.55 115.64 117.50 3dea s THR 183 Ca 0.21 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.55 3dea s THR 183 Cb 0.19 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.37 3dea s THR 183 CO 0.51 0.48 -0.02 -0.70 -0.69 0.00 0.00 174.62 174.21 3dea s GLU 184 N 0.99 3.03 -0.30 4.92 2.56 -0.03 -4.91 118.70 124.97 3dea s GLU 184 Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 54.97 53.99 3dea s GLU 184 Cb -0.15 -3.09 -0.03 0.00 2.00 0.00 0.00 34.13 32.86 3dea s GLU 184 CO -0.01 -0.36 0.18 0.08 -0.56 0.00 0.00 175.26 174.58 3dea s VAL 185 N 1.41 5.02 -0.63 3.70 1.01 -1.26 -0.84 120.40 128.81 3dea s VAL 185 Ca 0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3dea s VAL 185 Cb -0.16 -3.46 0.16 0.00 0.00 0.00 0.00 36.38 32.92 3dea s VAL 185 CO -0.02 0.17 0.58 -0.31 0.00 0.00 0.00 175.10 175.51 3dea s TYR 186 N 1.70 3.44 -0.31 5.22 1.51 0.12 -4.97 117.35 124.06 3dea s TYR 186 Ca 0.06 -1.60 0.03 0.00 -1.01 0.00 0.00 57.07 54.56 3dea s TYR 186 Cb -0.16 -3.77 0.09 0.00 -0.11 0.00 0.00 41.96 38.00 3dea s TYR 186 CO 0.09 -1.00 -0.00 0.00 -1.11 0.00 0.00 175.55 173.52 3dea s ASP 188 N 1.01 6.53 0.44 0.00 -1.08 -1.26 -4.94 116.67 117.37 3dea s ASP 188 Ca 0.04 2.80 0.15 0.00 -0.52 0.00 0.00 52.55 55.01 3dea s ASP 188 Cb -0.19 -2.63 1.05 0.00 -1.46 0.00 0.00 42.92 39.69 3dea s ASP 188 CO -0.08 -0.79 1.97 -0.29 0.52 0.00 0.00 175.17 176.51 3dea h ILE 189 N 3.44 0.87 -0.53 4.11 2.10 -2.01 -1.43 117.51 124.07 3dea h ILE 189 Ca -0.47 -0.13 -0.23 0.00 1.08 0.00 0.00 64.86 65.11 3dea h ILE 189 Cb 1.22 0.45 -0.14 0.00 -1.09 0.00 0.00 36.82 37.27 3dea h ILE 189 CO 0.77 0.07 0.29 0.00 -1.08 0.00 0.00 178.15 178.21 3dea n ALA 190 N -2.53 4.08 -3.87 0.18 0.00 -1.26 -4.81 120.51 112.31 3dea n ALA 190 Ca 0.10 -1.57 -0.33 0.00 0.00 0.00 0.00 53.44 51.64 3dea n ALA 190 Cb 0.41 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.38 4.44 0.38 0.00 3.68 -0.54 -5.01 116.67 119.24 3dea s ASP 191 Ca 0.33 -1.19 0.06 0.00 2.13 0.00 0.00 52.55 53.89 3dea s ASP 191 Cb 0.27 -1.62 0.77 0.00 -1.45 0.00 0.00 42.92 40.89 3dea s ASP 191 CO 0.07 -0.18 1.98 0.00 0.13 0.00 0.00 175.17 177.17 3dea h ALA 192 N 7.90 1.57 0.00 3.66 0.00 -1.87 -2.52 119.26 128.01 3dea h ALA 192 Ca -0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3dea h ALA 192 Cb 1.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dea h ALA 192 CO 0.52 0.33 -0.03 -0.39 0.00 0.00 0.00 179.25 179.68 3dea h VAL 193 N 0.51 0.42 0.00 0.00 -1.51 -1.94 -2.60 116.25 111.12 3dea h VAL 193 Ca 0.13 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3dea h VAL 193 Cb 0.11 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3dea h VAL 193 CO -0.01 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 3dea n TYR 195 N -0.86 0.35 -1.84 0.00 4.02 -0.98 -4.22 117.16 113.62 3dea n TYR 195 Ca 0.17 -1.35 0.00 0.00 -0.01 0.00 0.00 57.90 56.71 3dea n TYR 195 Cb 0.08 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 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 -1.14 2.84 0.88 2.72 0.00 -1.24 -2.77 105.19 106.47 3dea n GLY 196 Ca 0.22 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.04 3dea n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dea n THR 197 N 0.00 0.47 0.21 2.61 -2.24 -1.26 -4.43 114.28 109.63 3dea n THR 197 Ca 0.00 -0.59 0.06 0.00 -2.27 0.00 0.00 64.05 61.25 3dea n THR 197 Cb 0.00 0.55 0.44 0.00 -2.10 0.00 0.00 70.33 69.22 3dea n THR 197 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dea h LEU 198 N 3.19 0.00 -0.92 3.22 4.07 -1.86 -3.18 115.31 119.83 3dea h LEU 198 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3dea h LEU 198 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3dea h LEU 198 CO 0.00 0.31 -0.06 0.49 -1.08 0.00 0.00 178.44 178.10 3dea n PHE 199 N -3.78 0.00 -4.02 1.13 3.01 -1.26 -5.16 117.46 107.38 3dea n PHE 199 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 3dea n PHE 199 Cb 0.40 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 3dea n PHE 199 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3dea s ILE 200 N -0.76 3.15 -0.70 4.37 -5.25 -1.21 -5.07 121.20 115.74 3dea s ILE 200 Ca 0.06 -1.61 -0.19 0.00 -0.99 0.00 0.00 60.65 57.92 3dea s ILE 200 Cb 0.05 -3.03 0.12 0.00 2.95 0.00 0.00 42.46 42.54 3dea s ILE 200 CO 0.11 -0.18 0.84 0.12 -1.79 0.00 0.00 174.94 174.04 3dea s PHE 205 N -2.40 3.06 -2.53 1.37 5.36 -1.26 -4.95 117.98 116.63 3dea s PHE 205 Ca 0.39 -1.11 0.25 0.00 -0.96 0.00 0.00 56.93 55.50 3dea s PHE 205 Cb -0.03 -4.09 0.75 0.00 -0.34 0.00 0.00 43.02 39.31 3dea s PHE 205 CO 0.24 -1.35 1.57 1.28 -1.46 0.00 0.00 175.22 175.50 3dea n LEU 206 N 6.31 2.01 -1.50 6.12 4.32 -1.26 -4.44 117.00 128.56 3dea n LEU 206 Ca 0.01 -0.74 -0.00 0.00 -0.02 0.00 0.00 56.01 55.26 3dea n LEU 206 Cb 0.45 -0.05 0.09 0.00 -1.62 0.00 0.00 43.42 42.28 3dea n LEU 206 CO 0.55 0.37 0.16 -1.22 -1.22 0.00 0.00 177.39 176.03 3dea n TYR 207 N 0.56 0.60 -0.15 -1.77 4.01 -1.26 -4.79 117.16 114.36 3dea n TYR 207 Ca 0.17 -1.34 -0.09 0.00 -0.16 0.00 0.00 57.90 56.49 3dea n TYR 207 Cb 0.42 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.43 0.65 0.07 -0.72 4.15 -2.00 -2.77 115.11 115.92 3dea h GLN 208 Ca -0.05 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.15 3dea h GLN 208 Cb 1.45 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 29.04 3dea h GLN 208 CO 0.18 0.58 -0.47 1.15 -1.93 0.00 0.00 178.83 178.34 3dea h THR 209 N 0.57 1.60 -1.03 2.39 2.02 -1.96 -2.70 112.91 113.80 3dea h THR 209 Ca 0.15 -2.37 0.26 0.00 0.77 0.00 0.00 66.41 65.22 3dea h THR 209 Cb 0.16 3.17 -0.09 0.00 -1.74 0.00 0.00 68.15 69.65 3dea h THR 209 CO -0.02 0.65 0.67 0.44 0.37 0.00 0.00 175.52 177.63 3dea h ASP 210 N -0.57 0.45 0.63 4.18 3.32 -1.90 -1.61 116.42 120.93 3dea h ASP 210 Ca -0.08 0.08 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 3dea h ASP 210 Cb 1.34 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.86 3dea h ASP 210 CO 0.09 0.09 -1.47 0.00 -1.72 0.00 0.00 179.24 176.23 3dea h ALA 211 N 1.62 0.58 0.00 3.45 0.00 -1.54 0.32 119.26 123.69 3dea h ALA 211 Ca 0.59 -1.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 3dea h ALA 211 Cb 1.48 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 3dea h ALA 211 CO -0.29 1.42 -0.99 0.00 0.00 0.00 0.00 179.25 179.39 3dea h ALA 212 N 0.91 0.58 0.00 0.00 0.00 -1.08 -3.35 119.26 116.32 3dea h ALA 212 Ca -0.20 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3dea h ALA 212 Cb 1.94 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3dea h ALA 212 CO 0.10 1.01 -0.02 0.28 0.00 0.00 0.00 179.25 180.62 3dea n VAL 213 N -3.18 0.36 -0.16 0.00 0.31 -0.65 -4.75 118.33 110.26 3dea n VAL 213 Ca -0.03 0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.35 3dea n VAL 213 Cb 0.86 -0.84 0.08 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.94 0.02 3.52 0.00 -1.53 -2.65 119.26 119.56 3dea h ALA 214 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dea h ALA 214 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dea h ALA 214 CO 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 3dea h ALA 215 N 1.10 -0.02 -0.29 0.00 0.00 -0.60 -2.30 119.26 117.16 3dea h ALA 215 Ca 0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3dea h ALA 215 Cb 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3dea h ALA 215 CO 0.03 -0.13 0.07 -1.35 0.00 0.00 0.00 179.25 177.87 3dea h PRO 216 N -0.78 0.41 -0.48 0.00 0.11 -1.74 -1.49 132.00 128.02 3dea h PRO 216 Ca -0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3dea h PRO 216 Cb 0.73 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 3dea h PRO 216 CO 0.00 0.38 0.28 0.00 -0.21 0.00 0.00 178.00 178.46 3dea h ARG 217 N 0.41 0.66 -0.52 1.05 3.08 -1.55 -1.06 114.38 116.44 3dea h ARG 217 Ca 0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3dea h ARG 217 Cb 0.16 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3dea h ARG 217 CO -0.00 0.49 0.21 0.35 -1.07 0.00 0.00 179.97 179.95 3dea h PHE 218 N 0.64 0.80 -0.04 3.04 3.57 -0.74 -2.56 116.94 121.64 3dea h PHE 218 Ca 0.17 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3dea h PHE 218 Cb 0.01 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 3dea h PHE 218 CO -0.03 0.65 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.59 3dea h LEU 219 N 0.71 0.12 -0.74 0.59 3.38 -1.27 -2.65 115.31 115.45 3dea h LEU 219 Ca 0.17 -0.52 0.17 0.00 0.09 0.00 0.00 57.88 57.79 3dea h LEU 219 Cb 0.20 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.79 3dea h LEU 219 CO -0.01 0.61 0.09 -0.61 0.09 0.00 0.00 178.44 178.61 3dea h GLN 220 N -0.38 0.17 -0.13 1.13 4.15 -1.24 0.20 115.11 119.01 3dea h GLN 220 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3dea h GLN 220 Cb 0.58 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3dea h GLN 220 CO 0.01 0.11 0.00 0.00 -1.93 0.00 0.00 178.83 177.03 3dea h ALA 221 N 1.65 1.76 0.04 3.38 0.00 -1.38 -0.09 119.26 124.62 3dea h ALA 221 Ca 0.41 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.95 3dea h ALA 221 Cb 0.72 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3dea h ALA 221 CO -0.58 0.19 -1.57 0.00 0.00 0.00 0.00 179.25 177.28 3dea h ARG 222 N 0.19 0.07 -0.07 0.00 -0.00 -0.75 -3.32 114.38 110.51 3dea h ARG 222 Ca 0.05 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.98 59.38 3dea h ARG 222 Cb 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.15 3dea h ARG 222 CO 0.00 0.78 -0.02 0.82 0.00 0.00 0.00 179.97 181.55 3dea h ILE 223 N 0.02 1.31 0.00 2.04 2.04 -0.68 -3.46 117.51 118.77 3dea h ILE 223 Ca -0.24 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3dea h ILE 223 Cb 1.97 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 3dea h ILE 223 CO 0.11 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.13