#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd5 h SER 32 N 0.00 0.00 0.55 1.08 4.64 -2.03 -2.71 113.55 115.08 3dd5 h SER 32 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3dd5 h SER 32 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dd5 h SER 32 CO 0.00 0.00 -0.12 0.77 -0.87 0.00 0.00 176.83 176.61 3dd5 h SER 33 N 0.00 0.00 -3.18 4.97 4.64 -1.91 -3.40 113.55 114.66 3dd5 h SER 33 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3dd5 h SER 33 Cb 0.13 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.87 3dd5 h SER 33 CO 0.00 0.12 -0.85 -0.89 -0.87 0.00 0.00 176.83 174.34 3dd5 s THR 34 N -3.99 1.77 -0.05 2.95 2.01 -1.02 -0.40 115.64 116.90 3dd5 s THR 34 Ca -0.02 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.21 3dd5 s THR 34 Cb 0.12 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 71.05 3dd5 s THR 34 CO 0.58 0.49 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.79 3dd5 s ARG 35 N 1.09 1.15 -0.10 4.92 1.81 -1.26 -4.81 118.95 121.75 3dd5 s ARG 35 Ca -0.02 -0.23 0.13 0.00 -1.72 0.00 0.00 55.73 53.89 3dd5 s ARG 35 Cb -0.14 -1.04 0.26 0.00 -0.45 0.00 0.00 34.95 33.58 3dd5 s ARG 35 CO -0.05 -0.02 1.13 0.09 -0.68 0.00 0.00 175.30 175.76 3dd5 n ASN 36 N 3.88 1.43 0.32 0.23 4.13 -1.24 -2.32 115.26 121.70 3dd5 n ASN 36 Ca -0.24 -2.83 0.21 0.00 1.68 0.00 0.00 54.58 53.40 3dd5 n ASN 36 Cb 0.51 -0.37 1.09 0.00 -1.54 0.00 0.00 39.78 39.47 3dd5 n ASN 36 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3dd5 h GLU 37 N 0.33 0.00 0.20 3.52 5.08 -1.69 -1.27 114.58 120.75 3dd5 h GLU 37 Ca -0.03 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 3dd5 h GLU 37 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 3dd5 h GLU 37 CO 0.01 0.01 -1.67 1.25 -1.00 0.00 0.00 179.01 177.61 3dd5 h LEU 38 N 0.00 0.65 -2.34 1.33 5.85 -1.86 -1.71 115.31 117.22 3dd5 h LEU 38 Ca -0.00 -0.89 -0.00 0.00 0.84 0.00 0.00 57.88 57.83 3dd5 h LEU 38 Cb 0.11 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3dd5 h LEU 38 CO 0.00 1.74 -0.02 -0.33 -0.34 0.00 0.00 178.44 179.49 3dd5 h GLU 39 N 0.11 0.00 -0.01 1.25 5.08 -1.62 -3.13 114.58 116.25 3dd5 h GLU 39 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3dd5 h GLU 39 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 3dd5 h GLU 39 CO 0.20 0.02 0.00 0.25 -1.00 0.00 0.00 179.01 178.47 3dd5 n THR 40 N -3.93 0.02 -2.40 1.13 -2.24 -0.89 -5.02 114.28 100.96 3dd5 n THR 40 Ca -0.03 -0.51 -0.40 0.00 -2.27 0.00 0.00 64.05 60.84 3dd5 n THR 40 Cb 0.10 1.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 3dd5 n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dd5 s GLY 41 N -0.53 3.01 0.03 3.38 0.00 -0.64 -5.01 107.32 107.55 3dd5 s GLY 41 Ca 0.07 0.97 -0.25 0.00 0.00 0.00 0.00 44.72 45.52 3dd5 s GLY 41 CO 0.08 1.62 0.76 -0.45 0.00 0.00 0.00 173.10 175.11 3dd5 s SER 42 N -0.68 7.19 0.00 1.64 0.15 -1.26 -4.93 113.70 115.81 3dd5 s SER 42 Ca 0.46 1.43 0.05 0.00 0.70 0.00 0.00 55.95 58.59 3dd5 s SER 42 Cb -0.33 -2.46 0.28 0.00 -1.71 0.00 0.00 66.02 61.80 3dd5 s SER 42 CO 0.43 0.00 0.72 -1.54 1.20 0.00 0.00 173.24 174.05 3dd5 n SER 43 N 2.90 0.00 0.00 5.45 3.41 -1.26 -1.73 113.62 122.40 3dd5 n SER 43 Ca -0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3dd5 n SER 43 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3dd5 n SER 43 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dd5 n SER 44 N -0.95 1.76 -2.59 4.04 3.41 -1.26 -4.49 113.62 113.55 3dd5 n SER 44 Ca 0.04 -1.84 -0.15 0.00 -0.26 0.00 0.00 58.87 56.66 3dd5 n SER 44 Cb 0.02 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3dd5 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 n ALA 45 N -0.42 3.95 -1.82 7.33 0.00 -0.70 -5.11 120.51 123.74 3dd5 n ALA 45 Ca 0.00 -3.51 -0.41 0.00 0.00 0.00 0.00 53.44 49.52 3dd5 n ALA 45 Cb 0.25 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3dd5 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dd5 s PRO 47 N -1.07 3.09 0.15 0.00 0.04 -1.26 -5.04 135.00 130.91 3dd5 s PRO 47 Ca 0.56 -0.74 -0.17 0.00 0.04 0.00 0.00 61.00 60.69 3dd5 s PRO 47 Cb -0.43 -2.68 0.06 0.00 0.04 0.00 0.00 34.50 31.49 3dd5 s PRO 47 CO 0.50 -0.11 1.70 0.87 0.04 0.00 0.00 177.00 179.99 3dd5 h LYS 48 N 0.63 0.06 -4.70 4.56 1.57 -1.82 -3.42 116.57 113.46 3dd5 h LYS 48 Ca -0.46 -0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.71 3dd5 h LYS 48 Cb 1.25 -0.01 -0.36 0.00 0.08 0.00 0.00 32.23 33.20 3dd5 h LYS 48 CO 0.55 0.04 -0.83 0.08 -0.57 0.00 0.00 179.45 178.72 3dd5 s VAL 49 N -6.19 1.58 -0.26 0.50 1.01 -0.87 -1.08 120.40 115.09 3dd5 s VAL 49 Ca -0.13 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3dd5 s VAL 49 Cb 0.13 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3dd5 s VAL 49 CO 0.70 0.46 0.18 -0.63 0.00 0.00 0.00 175.10 175.81 3dd5 s ILE 50 N 1.39 5.33 -0.24 2.22 1.01 0.68 -1.67 121.20 129.92 3dd5 s ILE 50 Ca 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.85 3dd5 s ILE 50 Cb -0.13 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3dd5 s ILE 50 CO -0.09 0.30 -0.06 -0.47 0.00 0.00 0.00 174.94 174.62 3dd5 s TYR 51 N 1.38 3.04 -0.23 3.97 5.04 -0.52 -0.01 117.35 130.03 3dd5 s TYR 51 Ca 0.08 -1.47 -0.03 0.00 -2.44 0.00 0.00 57.07 53.21 3dd5 s TYR 51 Cb -0.15 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.11 3dd5 s TYR 51 CO 0.07 -0.71 -0.06 0.42 -1.34 0.00 0.00 175.55 173.94 3dd5 s ILE 52 N 1.35 3.11 -0.07 3.14 1.01 0.10 -0.09 121.20 129.74 3dd5 s ILE 52 Ca 0.01 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.99 3dd5 s ILE 52 Cb -0.16 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 3dd5 s ILE 52 CO -0.05 0.36 -0.19 0.12 0.00 0.00 0.00 174.94 175.18 3dd5 s PHE 53 N 1.41 2.60 -0.16 3.97 5.36 0.42 -1.20 117.98 130.38 3dd5 s PHE 53 Ca 0.04 -0.52 -0.03 0.00 -0.96 0.00 0.00 56.93 55.46 3dd5 s PHE 53 Cb -0.15 -1.66 -0.02 0.00 -0.34 0.00 0.00 43.02 40.85 3dd5 s PHE 53 CO -0.05 -0.08 -0.06 0.00 -1.46 0.00 0.00 175.22 173.57 3dd5 s ALA 54 N -0.24 2.87 0.58 11.12 0.00 -0.27 -0.33 121.76 135.49 3dd5 s ALA 54 Ca -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 3dd5 s ALA 54 Cb -0.13 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.52 3dd5 s ALA 54 CO 0.03 0.10 0.82 -0.98 0.00 0.00 0.00 175.76 175.73 3dd5 s ARG 55 N 0.58 2.52 0.45 0.00 1.70 -1.26 -1.63 118.95 121.31 3dd5 s ARG 55 Ca -0.04 -0.62 -0.13 0.00 -0.47 0.00 0.00 55.73 54.47 3dd5 s ARG 55 Cb -0.15 -2.42 -0.07 0.00 -0.57 0.00 0.00 34.95 31.74 3dd5 s ARG 55 CO 0.03 -0.79 0.86 0.00 -1.08 0.00 0.00 175.30 174.32 3dd5 s ALA 56 N -2.86 3.22 0.07 7.88 0.00 -1.02 -2.39 121.76 126.66 3dd5 s ALA 56 Ca 0.57 -0.02 -0.37 0.00 0.00 0.00 0.00 51.96 52.15 3dd5 s ALA 56 Cb -0.10 -2.89 -0.19 0.00 0.00 0.00 0.00 23.12 19.94 3dd5 s ALA 56 CO 0.40 -0.08 1.00 0.43 0.00 0.00 0.00 175.76 177.51 3dd5 n SER 57 N -1.35 0.09 0.00 0.00 7.64 -1.26 -1.39 113.62 117.35 3dd5 n SER 57 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3dd5 n SER 57 Cb 0.54 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3dd5 n SER 57 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3dd5 n THR 58 N 1.32 0.00 -1.71 0.44 -1.04 0.13 -4.99 114.28 108.43 3dd5 n THR 58 Ca 0.19 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.78 3dd5 n THR 58 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 3dd5 n THR 58 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dd5 n GLU 59 N -0.90 2.08 -2.10 -2.82 1.02 -0.49 -4.98 120.64 112.45 3dd5 n GLU 59 Ca 0.00 0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 57.60 3dd5 n GLU 59 Cb 0.00 -2.40 0.06 0.00 -0.02 0.00 0.00 31.44 29.08 3dd5 n GLU 59 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3dd5 s PRO 60 N -2.09 2.47 3.16 3.49 0.04 -1.26 -4.76 135.00 136.05 3dd5 s PRO 60 Ca 0.58 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.68 3dd5 s PRO 60 Cb -0.52 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3dd5 s PRO 60 CO 0.60 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.90 3dd5 n GLY 61 N -2.96 0.71 0.93 0.56 0.00 -1.26 -2.23 105.19 100.94 3dd5 n GLY 61 Ca 0.07 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.34 3dd5 n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dd5 n ASN 62 N -2.59 3.56 0.00 1.61 0.23 0.25 -4.56 115.26 113.76 3dd5 n ASN 62 Ca 0.00 -2.30 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 3dd5 n ASN 62 Cb 0.00 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 3dd5 n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3dd5 n MET 63 N 0.51 2.40 0.00 -3.83 2.81 0.46 -3.30 117.12 116.16 3dd5 n MET 63 Ca 0.17 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3dd5 n MET 63 Cb 0.63 -0.35 0.00 0.00 -0.71 0.00 0.00 33.22 32.79 3dd5 n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dd5 n GLY 64 N 0.36 -1.46 0.00 3.03 0.00 -0.95 -3.98 105.19 102.19 3dd5 n GLY 64 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3dd5 n GLY 64 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dd5 n ILE 65 N -0.85 0.00 0.00 -0.61 -5.35 -1.26 -4.31 119.36 106.97 3dd5 n ILE 65 Ca 0.00 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3dd5 n ILE 65 Cb 0.00 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 3dd5 n ILE 65 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3dd5 n SER 66 N -0.29 0.00 0.22 7.28 3.41 -1.26 -4.88 113.62 118.10 3dd5 n SER 66 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 3dd5 n SER 66 Cb 0.01 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.37 3dd5 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 h ALA 67 N -0.34 0.98 0.49 7.33 0.00 -1.94 -3.15 119.26 122.63 3dd5 h ALA 67 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3dd5 h ALA 67 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dd5 h ALA 67 CO 0.00 0.29 -0.23 0.78 0.00 0.00 0.00 179.25 180.09 3dd5 h GLY 68 N 2.32 -0.68 0.52 0.00 0.00 -1.91 -3.16 103.07 100.16 3dd5 h GLY 68 Ca -0.00 0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.67 3dd5 h GLY 68 CO 0.03 -0.25 0.44 -2.55 0.00 0.00 0.00 176.54 174.21 3dd5 h PRO 69 N -1.14 0.72 -0.46 4.80 0.11 -1.74 -2.17 132.00 132.12 3dd5 h PRO 69 Ca -0.07 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.07 3dd5 h PRO 69 Cb 0.54 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.42 3dd5 h PRO 69 CO 0.11 0.48 0.12 0.82 -0.21 0.00 0.00 178.00 179.32 3dd5 h ILE 70 N 0.74 0.79 -0.09 4.15 2.04 -1.63 0.24 117.51 123.76 3dd5 h ILE 70 Ca 0.38 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 66.02 3dd5 h ILE 70 Cb 0.36 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3dd5 h ILE 70 CO -0.25 0.05 -0.50 0.58 0.00 0.00 0.00 178.15 178.03 3dd5 h VAL 71 N 0.27 1.35 -0.16 1.67 2.07 -1.48 -1.18 116.25 118.79 3dd5 h VAL 71 Ca 0.23 -1.74 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 3dd5 h VAL 71 Cb 0.27 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3dd5 h VAL 71 CO -0.27 0.52 -0.26 0.00 0.02 0.00 0.00 177.57 177.58 3dd5 h ALA 72 N 1.29 0.24 -0.76 1.67 0.00 -0.71 0.77 119.26 121.77 3dd5 h ALA 72 Ca 0.01 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3dd5 h ALA 72 Cb 0.95 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3dd5 h ALA 72 CO 0.08 0.23 0.47 -0.44 0.00 0.00 0.00 179.25 179.58 3dd5 h ASP 73 N 0.08 0.76 -0.23 0.00 3.32 -0.40 0.72 116.42 120.66 3dd5 h ASP 73 Ca 0.01 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3dd5 h ASP 73 Cb 0.84 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3dd5 h ASP 73 CO 0.06 0.51 -0.21 0.00 -1.72 0.00 0.00 179.24 177.88 3dd5 h ALA 74 N 1.34 0.34 -0.60 3.45 0.00 -1.09 -0.74 119.26 121.96 3dd5 h ALA 74 Ca 0.31 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3dd5 h ALA 74 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dd5 h ALA 74 CO -0.13 0.28 0.20 -0.07 0.00 0.00 0.00 179.25 179.53 3dd5 h LEU 75 N 0.26 0.87 -1.53 0.00 3.38 -0.63 -2.44 115.31 115.22 3dd5 h LEU 75 Ca 0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3dd5 h LEU 75 Cb 0.75 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3dd5 h LEU 75 CO 0.05 0.84 -0.12 -0.33 0.09 0.00 0.00 178.44 178.96 3dd5 h GLU 76 N 0.85 0.15 -0.81 1.13 5.08 -0.79 -2.31 114.58 117.88 3dd5 h GLU 76 Ca 0.19 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3dd5 h GLU 76 Cb 0.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3dd5 h GLU 76 CO -0.01 0.28 0.36 -0.09 -1.00 0.00 0.00 179.01 178.56 3dd5 h ARG 77 N 0.14 1.18 0.12 2.33 2.43 -0.67 -2.18 114.38 117.73 3dd5 h ARG 77 Ca 0.03 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3dd5 h ARG 77 Cb 0.32 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3dd5 h ARG 77 CO 0.02 0.93 -0.06 0.82 -1.51 0.00 0.00 179.97 180.17 3dd5 h ILE 78 N 1.15 0.87 0.00 1.20 2.04 -1.09 -3.39 117.51 118.28 3dd5 h ILE 78 Ca 0.27 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3dd5 h ILE 78 Cb 0.16 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3dd5 h ILE 78 CO -0.03 0.25 -1.27 -1.22 0.00 0.00 0.00 178.15 175.88 3dd5 n TYR 79 N -4.85 0.32 0.00 1.37 4.02 -0.90 -5.07 117.16 112.04 3dd5 n TYR 79 Ca -0.07 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3dd5 n TYR 79 Cb 0.26 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 3dd5 n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dd5 n GLY 80 N 1.31 0.41 0.13 2.72 0.00 -0.82 -4.59 105.19 104.35 3dd5 n GLY 80 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 3dd5 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dd5 h ALA 81 N 0.00 0.34 0.00 4.61 0.00 -1.91 -2.39 119.26 119.91 3dd5 h ALA 81 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dd5 h ALA 81 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3dd5 h ALA 81 CO 0.00 -0.19 0.00 0.27 0.00 0.00 0.00 179.25 179.33 3dd5 n ASN 82 N -4.90 0.16 -0.21 0.00 0.23 -1.26 -2.45 115.26 106.83 3dd5 n ASN 82 Ca -0.02 -1.84 0.02 0.00 -0.53 0.00 0.00 54.58 52.21 3dd5 n ASN 82 Cb 0.03 -0.08 0.05 0.00 -2.08 0.00 0.00 39.78 37.69 3dd5 n ASN 82 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3dd5 n ASP 83 N -0.40 2.29 -3.67 0.53 2.03 -0.90 -4.78 116.55 111.64 3dd5 n ASP 83 Ca 0.00 -1.98 -0.19 0.00 0.52 0.00 0.00 54.79 53.14 3dd5 n ASP 83 Cb 0.04 -0.08 -0.17 0.00 -0.72 0.00 0.00 41.12 40.19 3dd5 n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3dd5 s VAL 84 N -0.99 -0.17 -0.32 5.18 1.01 -1.03 -2.05 120.40 122.04 3dd5 s VAL 84 Ca 0.08 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 3dd5 s VAL 84 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 3dd5 s VAL 84 CO 0.05 0.16 0.49 0.26 0.00 0.00 0.00 175.10 176.07 3dd5 s TRP 85 N 2.17 3.21 -0.20 5.22 0.51 -0.67 -4.90 118.94 124.28 3dd5 s TRP 85 Ca 0.04 0.31 -0.17 0.00 -2.12 0.00 0.00 56.10 54.15 3dd5 s TRP 85 Cb -0.12 -2.83 -0.03 0.00 -0.81 0.00 0.00 33.47 29.67 3dd5 s TRP 85 CO -0.04 -0.44 0.47 0.08 -0.51 0.00 0.00 176.95 176.51 3dd5 s VAL 86 N 2.33 5.14 -0.07 4.03 1.01 -1.26 -1.44 120.40 130.15 3dd5 s VAL 86 Ca 0.19 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.02 3dd5 s VAL 86 Cb -0.16 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3dd5 s VAL 86 CO 0.12 0.20 -0.06 -1.58 0.00 0.00 0.00 175.10 173.79 3dd5 s GLN 87 N 1.54 1.09 0.30 2.72 2.00 0.87 -1.71 119.66 126.46 3dd5 s GLN 87 Ca 0.22 -0.15 -0.06 0.00 -2.00 0.00 0.00 55.36 53.36 3dd5 s GLN 87 Cb -0.15 -1.11 -0.06 0.00 0.80 0.00 0.00 33.01 32.49 3dd5 s GLN 87 CO 0.09 -0.13 0.58 0.20 -0.50 0.00 0.00 175.29 175.53 3dd5 s GLY 88 N 1.20 1.91 -0.60 2.59 0.00 -0.98 -0.44 107.32 111.01 3dd5 s GLY 88 Ca -0.06 -0.48 -0.23 0.00 0.00 0.00 0.00 44.72 43.94 3dd5 s GLY 88 CO -0.02 -0.36 0.95 0.14 0.00 0.00 0.00 173.10 173.81 3dd5 s VAL 89 N -2.09 4.35 0.00 1.40 1.01 0.55 -4.83 120.40 120.79 3dd5 s VAL 89 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3dd5 s VAL 89 Cb -0.11 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.67 3dd5 s VAL 89 CO 0.29 -1.28 0.00 0.61 0.00 0.00 0.00 175.10 174.72 3dd5 n GLY 90 N 5.22 3.17 7.00 4.51 0.00 -1.26 -4.73 105.19 119.10 3dd5 n GLY 90 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3dd5 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dd5 n GLY 91 N 5.00 2.75 0.00 -0.02 0.00 -1.26 -1.83 105.19 109.84 3dd5 n GLY 91 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.94 3dd5 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dd5 n PRO 92 N 14.00 0.28 -2.62 1.61 -0.04 -1.26 -4.27 135.00 142.69 3dd5 n PRO 92 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3dd5 n PRO 92 Cb 0.00 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 3dd5 n PRO 92 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3dd5 s TYR 93 N -2.00 2.63 -0.56 0.54 5.04 -0.76 -4.36 117.35 117.88 3dd5 s TYR 93 Ca 0.11 -0.93 0.26 0.00 -2.44 0.00 0.00 57.07 54.06 3dd5 s TYR 93 Cb 0.05 -4.63 0.77 0.00 0.35 0.00 0.00 41.96 38.51 3dd5 s TYR 93 CO 0.09 -1.86 1.74 -0.07 -1.34 0.00 0.00 175.55 174.11 3dd5 h LEU 94 N 12.40 0.00 -1.35 6.97 3.38 -1.88 -3.45 115.31 131.38 3dd5 h LEU 94 Ca 0.19 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.68 3dd5 h LEU 94 Cb 1.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 3dd5 h LEU 94 CO 1.38 0.00 -0.81 0.00 0.09 0.00 0.00 178.44 179.09 3dd5 n ALA 95 N -1.88 -1.57 -2.13 1.53 0.00 -1.26 -4.74 120.51 110.45 3dd5 n ALA 95 Ca 0.04 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 3dd5 n ALA 95 Cb 0.41 -3.20 -0.03 0.00 0.00 0.00 0.00 19.45 16.63 3dd5 n ALA 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3dd5 s ASP 96 N -3.73 6.56 0.29 0.00 1.47 -1.26 0.17 116.67 120.16 3dd5 s ASP 96 Ca 0.41 1.21 0.01 0.00 1.18 0.00 0.00 52.55 55.36 3dd5 s ASP 96 Cb -0.21 -2.35 0.54 0.00 -0.34 0.00 0.00 42.92 40.56 3dd5 s ASP 96 CO 0.86 -0.41 1.87 -0.07 0.68 0.00 0.00 175.17 178.10 3dd5 h LEU 97 N 1.31 0.92 -0.62 2.11 3.38 -1.95 -3.21 115.31 117.25 3dd5 h LEU 97 Ca -0.47 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 3dd5 h LEU 97 Cb 1.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3dd5 h LEU 97 CO 0.64 0.54 -0.40 0.00 0.09 0.00 0.00 178.44 179.30 3dd5 h ALA 98 N 1.52 0.80 0.00 1.53 0.00 -2.02 -3.18 119.26 117.91 3dd5 h ALA 98 Ca 0.45 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dd5 h ALA 98 Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3dd5 h ALA 98 CO -0.21 0.65 -0.00 0.77 0.00 0.00 0.00 179.25 180.46 3dd5 h SER 99 N 0.52 0.00 0.18 0.00 0.02 -1.92 -2.33 113.55 110.02 3dd5 h SER 99 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3dd5 h SER 99 Cb 0.92 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 3dd5 h SER 99 CO 0.08 0.00 -0.05 0.78 -1.14 0.00 0.00 176.83 176.51 3dd5 h ASN 100 N 0.00 0.00 0.33 3.07 2.35 -1.67 -2.76 115.58 116.90 3dd5 h ASN 100 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dd5 h ASN 100 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3dd5 h ASN 100 CO 0.00 0.05 -0.63 0.49 -1.65 0.00 0.00 177.43 175.69 3dd5 n PHE 101 N -3.63 0.00 -1.65 1.19 3.72 -0.87 -4.11 117.46 112.10 3dd5 n PHE 101 Ca -0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.03 3dd5 n PHE 101 Cb 0.15 -0.17 0.07 0.00 -0.94 0.00 0.00 39.48 38.59 3dd5 n PHE 101 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3dd5 s LEU 102 N -2.96 3.42 0.29 4.37 1.43 -1.08 -4.85 118.68 119.30 3dd5 s LEU 102 Ca 0.11 2.29 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 3dd5 s LEU 102 Cb 0.17 -4.58 0.72 0.00 0.03 0.00 0.00 46.19 42.53 3dd5 s LEU 102 CO 0.74 -1.95 1.67 -0.65 0.23 0.00 0.00 176.35 176.38 3dd5 h PRO 103 N 0.08 0.28 -0.01 1.29 0.11 -1.90 0.94 132.00 132.80 3dd5 h PRO 103 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dd5 h PRO 103 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dd5 h PRO 103 CO 0.52 0.19 -0.02 -0.25 -0.21 0.00 0.00 178.00 178.23 3dd5 n ASP 104 N -5.14 0.63 0.00 -2.05 10.43 -1.26 -4.91 116.55 114.25 3dd5 n ASP 104 Ca 0.22 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.47 3dd5 n ASP 104 Cb 0.67 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.62 3dd5 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dd5 n GLY 105 N 1.11 0.77 3.67 0.44 0.00 0.33 -4.84 105.19 106.67 3dd5 n GLY 105 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 3dd5 n GLY 105 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dd5 s THR 106 N -2.89 0.00 0.83 2.61 -1.32 -1.06 -3.95 115.64 109.86 3dd5 s THR 106 Ca 0.00 -1.27 -0.10 0.00 -1.21 0.00 0.00 61.69 59.10 3dd5 s THR 106 Cb 0.00 -2.47 0.09 0.00 -1.51 0.00 0.00 72.50 68.61 3dd5 s THR 106 CO 0.00 0.00 1.11 -0.94 -2.21 0.00 0.00 174.62 172.58 3dd5 s SER 107 N -3.07 3.88 0.15 8.08 1.04 -1.26 -4.78 113.70 117.75 3dd5 s SER 107 Ca 0.21 1.93 -0.09 0.00 0.48 0.00 0.00 55.95 58.48 3dd5 s SER 107 Cb -0.03 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 3dd5 s SER 107 CO 0.12 -2.45 1.46 -1.28 0.98 0.00 0.00 173.24 172.07 3dd5 h SER 108 N -1.42 0.87 0.35 7.02 0.87 -1.97 -3.12 113.55 116.16 3dd5 h SER 108 Ca -0.44 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 59.62 3dd5 h SER 108 Cb 1.25 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3dd5 h SER 108 CO 0.48 1.22 -0.26 0.00 -0.53 0.00 0.00 176.83 177.75 3dd5 h ALA 109 N 0.80 1.42 -0.04 6.23 0.00 -1.93 -2.16 119.26 123.58 3dd5 h ALA 109 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3dd5 h ALA 109 Cb 1.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3dd5 h ALA 109 CO 0.11 0.32 0.02 0.00 0.00 0.00 0.00 179.25 179.70 3dd5 h ALA 110 N 1.74 0.05 -0.08 0.00 0.00 -1.74 -2.20 119.26 117.03 3dd5 h ALA 110 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dd5 h ALA 110 Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dd5 h ALA 110 CO 0.03 -0.38 0.05 0.82 0.00 0.00 0.00 179.25 179.78 3dd5 h ILE 111 N -0.09 1.04 -0.36 0.00 2.04 -1.38 -2.19 117.51 116.57 3dd5 h ILE 111 Ca 0.01 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 3dd5 h ILE 111 Cb 0.15 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3dd5 h ILE 111 CO -0.00 0.03 -0.13 0.78 0.00 0.00 0.00 178.15 178.83 3dd5 h ASN 112 N 0.09 0.63 -0.08 1.72 4.21 -1.44 -0.59 115.58 120.12 3dd5 h ASN 112 Ca 0.03 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.35 3dd5 h ASN 112 Cb 0.01 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.04 3dd5 h ASN 112 CO -0.01 0.79 0.04 -0.08 -1.29 0.00 0.00 177.43 176.88 3dd5 h GLU 113 N 0.59 0.12 -0.69 0.81 4.57 -1.23 0.37 114.58 119.12 3dd5 h GLU 113 Ca 0.10 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.34 3dd5 h GLU 113 Cb 0.56 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 3dd5 h GLU 113 CO 0.04 0.22 0.36 0.00 -1.18 0.00 0.00 179.01 178.45 3dd5 h ALA 114 N 0.90 0.94 -0.98 2.92 0.00 -1.12 -1.71 119.26 120.20 3dd5 h ALA 114 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dd5 h ALA 114 Cb 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3dd5 h ALA 114 CO -0.00 0.01 0.65 0.00 0.00 0.00 0.00 179.25 179.90 3dd5 h ARG 115 N 0.65 1.25 0.00 0.00 3.08 -0.64 0.30 114.38 119.02 3dd5 h ARG 115 Ca 0.32 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3dd5 h ARG 115 Cb 0.27 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3dd5 h ARG 115 CO -0.22 0.83 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.33 3dd5 h ARG 116 N 1.29 0.00 0.12 0.04 2.43 0.50 -1.47 114.38 117.29 3dd5 h ARG 116 Ca 0.37 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.28 3dd5 h ARG 116 Cb -0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3dd5 h ARG 116 CO -0.10 0.09 -1.31 -0.07 -1.51 0.00 0.00 179.97 177.07 3dd5 h LEU 117 N 0.00 0.39 -0.64 3.80 3.38 -0.14 -1.95 115.31 120.14 3dd5 h LEU 117 Ca -0.00 -0.86 0.06 0.00 0.09 0.00 0.00 57.88 57.16 3dd5 h LEU 117 Cb 0.27 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3dd5 h LEU 117 CO 0.01 1.58 0.35 -0.26 0.09 0.00 0.00 178.44 180.22 3dd5 h PHE 118 N -0.33 0.65 -0.63 1.13 0.04 -1.10 0.56 116.94 117.25 3dd5 h PHE 118 Ca -0.28 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.54 3dd5 h PHE 118 Cb 1.73 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 39.65 3dd5 h PHE 118 CO 0.14 0.32 0.40 1.15 -0.60 0.00 0.00 178.31 179.71 3dd5 h THR 119 N 0.66 1.10 -0.57 -1.55 2.02 -1.38 -2.39 112.91 110.80 3dd5 h THR 119 Ca 0.29 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3dd5 h THR 119 Cb 0.17 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3dd5 h THR 119 CO -0.17 0.15 0.21 0.25 0.37 0.00 0.00 175.52 176.33 3dd5 h LEU 120 N 0.80 0.81 -0.65 2.58 6.46 -0.24 0.16 115.31 125.22 3dd5 h LEU 120 Ca 0.25 -0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 3dd5 h LEU 120 Cb -0.02 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.66 3dd5 h LEU 120 CO -0.09 0.77 0.37 0.00 -0.62 0.00 0.00 178.44 178.88 3dd5 h ALA 121 N 1.07 0.85 -0.42 1.25 0.00 -0.91 0.18 119.26 121.28 3dd5 h ALA 121 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3dd5 h ALA 121 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dd5 h ALA 121 CO -0.01 0.08 -0.32 -0.97 0.00 0.00 0.00 179.25 178.03 3dd5 h ASN 122 N 0.71 0.98 -0.57 0.00 -0.00 -0.84 0.41 115.58 116.27 3dd5 h ASN 122 Ca 0.28 -0.42 -0.04 0.00 -0.00 0.00 0.00 56.30 56.12 3dd5 h ASN 122 Cb 0.11 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.14 3dd5 h ASN 122 CO -0.15 1.21 0.18 0.74 -0.00 0.00 0.00 177.43 179.41 3dd5 h THR 123 N 0.78 1.24 0.00 -3.57 2.02 -0.44 -3.17 112.91 109.78 3dd5 h THR 123 Ca 0.08 -0.80 -0.24 0.00 0.77 0.00 0.00 66.41 66.22 3dd5 h THR 123 Cb 0.90 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3dd5 h THR 123 CO 0.08 0.30 -1.44 0.11 0.37 0.00 0.00 175.52 174.94 3dd5 h LYS 124 N 0.80 0.00 -1.53 6.66 1.57 -0.36 -3.43 116.57 120.28 3dd5 h LYS 124 Ca 0.18 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.72 3dd5 h LYS 124 Cb 0.28 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.33 3dd5 h LYS 124 CO -0.01 0.55 -0.60 0.00 -0.57 0.00 0.00 179.45 178.82 3dd5 h PRO 126 N 6.77 0.00 0.00 0.00 0.11 -1.69 -3.14 132.00 134.04 3dd5 h PRO 126 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3dd5 h PRO 126 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dd5 h PRO 126 CO 0.15 0.00 -1.09 0.09 -0.21 0.00 0.00 178.00 176.94 3dd5 n ASN 127 N -3.00 0.60 -4.74 -2.05 3.02 -1.26 -4.95 115.26 102.89 3dd5 n ASN 127 Ca -0.01 -0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.07 3dd5 n ASN 127 Cb 0.21 0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 3dd5 n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dd5 s ALA 128 N -3.26 3.59 -0.24 5.41 0.00 -1.19 -4.95 121.76 121.13 3dd5 s ALA 128 Ca 0.02 1.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 3dd5 s ALA 128 Cb 0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3dd5 s ALA 128 CO 0.80 -0.66 2.06 0.00 0.00 0.00 0.00 175.76 177.97 3dd5 s ALA 129 N 0.15 2.83 -0.07 0.00 0.00 -0.24 -4.83 121.76 119.60 3dd5 s ALA 129 Ca 0.59 0.65 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 3dd5 s ALA 129 Cb -0.40 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 3dd5 s ALA 129 CO 0.40 -2.65 0.62 0.42 0.00 0.00 0.00 175.76 174.55 3dd5 s ILE 130 N 7.59 5.06 0.08 0.00 1.01 -0.92 -0.23 121.20 133.79 3dd5 s ILE 130 Ca 0.93 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.92 3dd5 s ILE 130 Cb -0.30 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3dd5 s ILE 130 CO 0.35 0.31 -0.18 0.68 0.00 0.00 0.00 174.94 176.10 3dd5 s VAL 131 N 0.55 1.42 0.06 2.92 -7.23 0.99 -0.48 120.40 118.63 3dd5 s VAL 131 Ca 0.33 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3dd5 s VAL 131 Cb -0.17 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 3dd5 s VAL 131 CO 0.16 -0.12 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.83 3dd5 s SER 132 N -1.77 0.87 0.08 4.85 1.04 -0.88 -0.72 113.70 117.17 3dd5 s SER 132 Ca 0.03 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.72 3dd5 s SER 132 Cb -0.10 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 3dd5 s SER 132 CO 0.03 -0.36 -0.10 -0.83 0.98 0.00 0.00 173.24 172.97 3dd5 s GLY 133 N -2.28 0.74 -0.04 7.32 0.00 -0.34 -1.83 107.32 110.88 3dd5 s GLY 133 Ca -0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 43.63 3dd5 s GLY 133 CO -0.03 -1.12 0.11 -0.32 0.00 0.00 0.00 173.10 171.74 3dd5 s GLY 134 N -2.14 -0.05 -0.17 0.20 0.00 -0.91 -1.12 107.32 103.12 3dd5 s GLY 134 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 44.72 45.11 3dd5 s GLY 134 CO 0.00 0.44 -0.20 -0.47 0.00 0.00 0.00 173.10 172.87 3dd5 s TYR 135 N 0.36 2.75 0.00 1.90 5.04 -0.65 -1.35 117.35 125.41 3dd5 s TYR 135 Ca -0.03 -1.60 0.00 0.00 -2.44 0.00 0.00 57.07 53.01 3dd5 s TYR 135 Cb -0.04 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.38 3dd5 s TYR 135 CO -0.01 -0.78 0.00 0.45 -1.34 0.00 0.00 175.55 173.87 3dd5 n SER 136 N 4.54 0.00 -0.33 4.32 2.88 -0.01 -1.11 113.62 123.91 3dd5 n SER 136 Ca -0.21 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.50 3dd5 n SER 136 Cb 0.50 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.36 3dd5 n SER 136 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3dd5 h GLN 137 N 0.00 0.60 -1.04 -1.46 4.15 -1.85 0.16 115.11 115.67 3dd5 h GLN 137 Ca 0.00 -0.04 0.27 0.00 0.77 0.00 0.00 58.65 59.65 3dd5 h GLN 137 Cb 0.00 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 27.47 3dd5 h GLN 137 CO 0.00 0.39 0.68 0.78 -1.93 0.00 0.00 178.83 178.75 3dd5 h GLY 138 N 0.61 1.08 1.27 2.39 0.00 -0.75 -0.43 103.07 107.26 3dd5 h GLY 138 Ca 0.57 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.60 3dd5 h GLY 138 CO -0.34 -0.12 -0.18 -0.91 0.00 0.00 0.00 176.54 174.98 3dd5 h THR 139 N 0.35 1.27 -0.99 4.70 1.35 -0.81 -0.93 112.91 117.85 3dd5 h THR 139 Ca 0.59 -1.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.15 3dd5 h THR 139 Cb 1.56 1.13 -0.05 0.00 -1.73 0.00 0.00 68.15 69.06 3dd5 h THR 139 CO -0.27 0.44 0.64 0.00 -0.25 0.00 0.00 175.52 176.09 3dd5 h ALA 140 N 1.05 1.26 -0.48 6.62 0.00 -1.12 0.48 119.26 127.07 3dd5 h ALA 140 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dd5 h ALA 140 Cb 0.71 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3dd5 h ALA 140 CO 0.05 0.67 0.31 0.28 0.00 0.00 0.00 179.25 180.57 3dd5 h VAL 141 N 1.35 1.11 0.14 0.00 2.07 -0.87 0.31 116.25 120.36 3dd5 h VAL 141 Ca 0.36 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3dd5 h VAL 141 Cb -0.13 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3dd5 h VAL 141 CO -0.08 0.12 -0.07 0.24 0.02 0.00 0.00 177.57 177.81 3dd5 h MET 142 N 0.64 -0.18 -0.27 1.57 2.86 -0.41 0.13 114.93 119.26 3dd5 h MET 142 Ca 0.18 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 3dd5 h MET 142 Cb -0.06 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3dd5 h MET 142 CO -0.05 0.11 0.13 0.00 1.06 0.00 0.00 176.91 178.17 3dd5 h ALA 143 N 0.35 0.33 0.15 6.32 0.00 -0.03 0.35 119.26 126.73 3dd5 h ALA 143 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dd5 h ALA 143 Cb 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dd5 h ALA 143 CO 0.03 -0.26 -0.09 0.78 0.00 0.00 0.00 179.25 179.71 3dd5 h GLY 144 N 0.28 -0.23 0.77 0.00 0.00 -0.33 -1.76 103.07 101.80 3dd5 h GLY 144 Ca 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3dd5 h GLY 144 CO -0.08 -0.10 -0.18 1.48 0.00 0.00 0.00 176.54 177.66 3dd5 h SER 145 N -0.23 -0.42 -0.03 0.19 4.64 -0.64 -3.33 113.55 113.73 3dd5 h SER 145 Ca -0.01 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3dd5 h SER 145 Cb 0.20 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3dd5 h SER 145 CO 0.01 -0.12 0.01 0.40 -0.87 0.00 0.00 176.83 176.27 3dd5 h ILE 146 N -0.74 1.09 -0.58 0.95 2.04 -0.97 -2.87 117.51 116.43 3dd5 h ILE 146 Ca -0.05 -0.27 0.17 0.00 1.00 0.00 0.00 64.86 65.71 3dd5 h ILE 146 Cb 0.51 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3dd5 h ILE 146 CO 0.08 0.07 0.97 0.77 0.00 0.00 0.00 178.15 180.05 3dd5 h SER 147 N -0.07 0.00 -0.19 1.72 4.64 -1.42 0.37 113.55 118.60 3dd5 h SER 147 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dd5 h SER 147 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3dd5 h SER 147 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3dd5 n GLY 148 N -1.59 2.37 3.83 -0.77 0.00 -1.09 -4.73 105.19 103.22 3dd5 n GLY 148 Ca 0.13 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3dd5 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dd5 s LEU 149 N -0.94 3.22 0.70 0.99 1.43 0.13 -5.02 118.68 119.18 3dd5 s LEU 149 Ca 0.14 1.58 -0.15 0.00 -1.03 0.00 0.00 54.13 54.67 3dd5 s LEU 149 Cb 0.07 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.82 3dd5 s LEU 149 CO 0.10 -1.22 1.16 -0.94 0.23 0.00 0.00 176.35 175.67 3dd5 s SER 150 N -3.75 4.64 0.49 2.29 1.04 -1.26 -4.72 113.70 112.43 3dd5 s SER 150 Ca 0.58 2.17 0.25 0.00 0.48 0.00 0.00 55.95 59.43 3dd5 s SER 150 Cb -0.13 -2.57 1.30 0.00 0.10 0.00 0.00 66.02 64.72 3dd5 s SER 150 CO 0.52 -1.95 1.90 0.71 0.98 0.00 0.00 173.24 175.39 3dd5 h THR 151 N -0.14 0.64 -0.03 2.02 1.35 -1.98 0.18 112.91 114.95 3dd5 h THR 151 Ca -0.47 -0.06 -0.04 0.00 -0.55 0.00 0.00 66.41 65.29 3dd5 h THR 151 Cb 1.27 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3dd5 h THR 151 CO 0.52 0.03 -0.13 0.74 -0.25 0.00 0.00 175.52 176.43 3dd5 h THR 152 N 0.17 1.48 -0.35 6.82 2.02 -1.97 0.26 112.91 121.34 3dd5 h THR 152 Ca 0.41 -1.62 -0.12 0.00 0.77 0.00 0.00 66.41 65.85 3dd5 h THR 152 Cb 1.36 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 70.23 3dd5 h THR 152 CO -0.07 0.44 -0.26 0.40 0.37 0.00 0.00 175.52 176.40 3dd5 h ILE 153 N -0.45 1.27 0.18 3.11 2.04 -1.84 -2.69 117.51 119.14 3dd5 h ILE 153 Ca -0.01 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3dd5 h ILE 153 Cb 0.79 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3dd5 h ILE 153 CO 0.03 0.45 -0.15 0.11 0.00 0.00 0.00 178.15 178.59 3dd5 h LYS 154 N 0.62 -0.33 -0.67 2.37 1.57 -0.58 -2.67 116.57 116.88 3dd5 h LYS 154 Ca 0.08 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.08 3dd5 h LYS 154 Cb 0.76 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 3dd5 h LYS 154 CO 0.06 -0.22 0.88 -0.91 -0.57 0.00 0.00 179.45 178.69 3dd5 h ASN 155 N -0.34 0.00 1.15 0.86 4.21 -0.36 0.36 115.58 121.46 3dd5 h ASN 155 Ca -0.01 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 3dd5 h ASN 155 Cb 0.31 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3dd5 h ASN 155 CO -0.02 0.00 -0.85 -0.61 -1.29 0.00 0.00 177.43 174.66 3dd5 h GLN 156 N 0.00 0.00 -5.65 0.81 4.15 -1.14 -3.43 115.11 109.85 3dd5 h GLN 156 Ca 0.32 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 59.12 3dd5 h GLN 156 Cb 2.07 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 29.63 3dd5 h GLN 156 CO -0.00 0.00 0.60 0.42 -1.93 0.00 0.00 178.83 177.92 3dd5 s ILE 157 N -3.34 4.28 0.05 2.39 1.01 0.12 -2.16 121.20 123.55 3dd5 s ILE 157 Ca 0.01 -0.11 0.11 0.00 0.00 0.00 0.00 60.65 60.66 3dd5 s ILE 157 Cb 0.09 -4.67 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 3dd5 s ILE 157 CO 0.77 -1.41 1.40 0.11 0.00 0.00 0.00 174.94 175.81 3dd5 h LYS 158 N 9.55 0.00 -2.47 2.79 1.79 -1.05 -3.46 116.57 123.72 3dd5 h LYS 158 Ca -0.28 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.11 3dd5 h LYS 158 Cb 1.07 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.48 3dd5 h LYS 158 CO 1.17 0.76 -0.16 0.20 -1.08 0.00 0.00 179.45 180.34 3dd5 s GLY 159 N -4.58 -0.40 -0.05 3.86 0.00 -1.24 -4.71 107.32 100.19 3dd5 s GLY 159 Ca 0.02 1.64 0.04 0.00 0.00 0.00 0.00 44.72 46.41 3dd5 s GLY 159 CO 0.78 1.61 -0.15 0.14 0.00 0.00 0.00 173.10 175.48 3dd5 s VAL 160 N 0.93 1.25 -0.10 1.40 1.01 0.14 -2.07 120.40 122.96 3dd5 s VAL 160 Ca -0.05 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3dd5 s VAL 160 Cb -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3dd5 s VAL 160 CO -0.08 0.37 -0.22 0.68 0.00 0.00 0.00 175.10 175.85 3dd5 s VAL 161 N 0.20 1.94 -0.21 2.92 -7.23 -0.76 -1.22 120.40 116.04 3dd5 s VAL 161 Ca -0.06 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.18 3dd5 s VAL 161 Cb -0.12 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.17 3dd5 s VAL 161 CO 0.02 0.53 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.43 3dd5 s LEU 162 N 0.44 2.55 -0.30 1.32 1.43 -0.67 -2.14 118.68 121.32 3dd5 s LEU 162 Ca -0.17 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 3dd5 s LEU 162 Cb -0.17 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3dd5 s LEU 162 CO 0.07 -0.08 0.24 -0.36 0.23 0.00 0.00 176.35 176.45 3dd5 s PHE 163 N 1.25 3.22 -0.95 0.29 0.08 -0.45 0.86 117.98 122.28 3dd5 s PHE 163 Ca -0.00 0.08 -0.05 0.00 0.12 0.00 0.00 56.93 57.08 3dd5 s PHE 163 Cb -0.16 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.79 3dd5 s PHE 163 CO -0.10 -0.23 0.83 0.41 -0.10 0.00 0.00 175.22 176.03 3dd5 n GLY 164 N 5.01 -0.85 3.54 4.36 0.00 0.38 -0.83 105.19 116.80 3dd5 n GLY 164 Ca -0.13 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 3dd5 n GLY 164 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dd5 n TYR 165 N -3.13 1.50 0.38 1.61 9.36 -1.26 -3.38 117.16 122.23 3dd5 n TYR 165 Ca -0.09 0.11 0.12 0.00 3.32 0.00 0.00 57.90 61.37 3dd5 n TYR 165 Cb 0.61 -2.62 0.51 0.00 -0.63 0.00 0.00 39.34 37.22 3dd5 n TYR 165 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 3dd5 h THR 166 N 7.51 0.00 -0.48 2.97 1.35 -1.74 -2.06 112.91 120.46 3dd5 h THR 166 Ca -0.27 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3dd5 h THR 166 Cb 1.28 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3dd5 h THR 166 CO 1.11 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.67 3dd5 n LYS 167 N -2.30 2.70 -0.34 4.72 4.76 -1.26 -4.67 118.16 121.77 3dd5 n LYS 167 Ca 0.02 -2.25 0.01 0.00 -2.87 0.00 0.00 58.31 53.22 3dd5 n LYS 167 Cb 0.23 -1.39 0.07 0.00 -1.84 0.00 0.00 35.03 32.10 3dd5 n LYS 167 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3dd5 n ASN 168 N 0.99 -0.49 0.25 4.39 5.15 -0.77 0.68 115.26 125.46 3dd5 n ASN 168 Ca 0.17 1.55 -0.10 0.00 -0.60 0.00 0.00 54.58 55.60 3dd5 n ASN 168 Cb 0.50 -0.40 -0.05 0.00 -0.53 0.00 0.00 39.78 39.31 3dd5 n ASN 168 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3dd5 h LEU 169 N 0.00 -0.57 -0.79 1.20 5.85 -1.81 0.21 115.31 119.39 3dd5 h LEU 169 Ca 0.35 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.16 3dd5 h LEU 169 Cb 0.58 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 3dd5 h LEU 169 CO -0.90 -0.28 0.47 -0.61 -0.34 0.00 0.00 178.44 176.78 3dd5 h GLN 170 N -0.93 0.83 -0.31 1.25 4.15 -1.79 -1.88 115.11 116.44 3dd5 h GLN 170 Ca -0.07 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3dd5 h GLN 170 Cb 0.52 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3dd5 h GLN 170 CO 0.11 0.55 0.00 0.09 -1.93 0.00 0.00 178.83 177.65 3dd5 n ASN 171 N -4.69 1.53 -3.54 -0.69 3.02 0.21 -4.94 115.26 106.16 3dd5 n ASN 171 Ca 0.11 -2.02 -0.25 0.00 -0.03 0.00 0.00 54.58 52.39 3dd5 n ASN 171 Cb 0.18 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.21 3dd5 n ASN 171 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dd5 n LEU 172 N 0.29 -3.12 0.00 3.41 7.99 -0.71 -2.59 117.00 122.27 3dd5 n LEU 172 Ca 0.09 -0.53 0.00 0.00 -0.01 0.00 0.00 56.01 55.56 3dd5 n LEU 172 Cb 0.25 -2.94 0.00 0.00 -0.11 0.00 0.00 43.42 40.62 3dd5 n LEU 172 CO 0.07 0.55 0.00 0.61 -1.51 0.00 0.00 177.39 177.10 3dd5 n GLY 173 N -1.87 1.89 3.51 -0.72 0.00 0.64 -5.00 105.19 103.65 3dd5 n GLY 173 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3dd5 n GLY 173 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dd5 s ARG 174 N -0.01 1.83 -0.23 1.61 1.70 -1.07 -4.81 118.95 117.97 3dd5 s ARG 174 Ca 0.00 -2.07 -0.17 0.00 -0.47 0.00 0.00 55.73 53.02 3dd5 s ARG 174 Cb 0.00 -0.88 -0.03 0.00 -0.57 0.00 0.00 34.95 33.46 3dd5 s ARG 174 CO 0.00 -0.31 0.45 0.42 -1.08 0.00 0.00 175.30 174.78 3dd5 s ILE 175 N -3.19 5.14 0.45 4.99 1.01 -1.26 -4.77 121.20 123.56 3dd5 s ILE 175 Ca 0.29 0.78 -0.25 0.00 0.00 0.00 0.00 60.65 61.46 3dd5 s ILE 175 Cb 0.06 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 3dd5 s ILE 175 CO 0.14 0.18 1.41 -2.65 0.00 0.00 0.00 174.94 174.02 3dd5 n PRO 176 N 4.96 2.19 -2.03 2.79 -0.02 -1.26 -2.35 135.00 139.28 3dd5 n PRO 176 Ca -0.06 0.78 -0.19 0.00 -2.02 0.00 0.00 63.50 62.01 3dd5 n PRO 176 Cb 0.51 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 3dd5 n PRO 176 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dd5 n ASN 177 N -0.17 -5.31 -3.85 2.55 3.02 -1.26 -4.17 115.26 106.07 3dd5 n ASN 177 Ca 0.06 0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.71 3dd5 n ASN 177 Cb 0.41 -4.56 -0.14 0.00 -0.61 0.00 0.00 39.78 34.88 3dd5 n ASN 177 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dd5 s PHE 178 N -2.81 -0.05 0.10 3.10 5.36 -0.99 -4.90 117.98 117.79 3dd5 s PHE 178 Ca 0.00 0.14 -0.31 0.00 -0.96 0.00 0.00 56.93 55.80 3dd5 s PHE 178 Cb 0.00 0.01 -0.07 0.00 -0.34 0.00 0.00 43.02 42.62 3dd5 s PHE 178 CO 0.00 -0.03 1.32 -1.21 -1.46 0.00 0.00 175.22 173.84 3dd5 s GLU 179 N 0.05 4.36 0.43 10.12 2.02 -1.26 -4.61 118.70 129.81 3dd5 s GLU 179 Ca -0.00 1.97 0.11 0.00 0.02 0.00 0.00 54.97 57.07 3dd5 s GLU 179 Cb -0.01 -3.28 0.94 0.00 0.10 0.00 0.00 34.13 31.88 3dd5 s GLU 179 CO -0.00 -0.37 2.02 1.79 0.02 0.00 0.00 175.26 178.72 3dd5 h THR 180 N 4.31 1.11 0.00 3.63 1.35 -1.92 -2.02 112.91 119.38 3dd5 h THR 180 Ca -0.42 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3dd5 h THR 180 Cb 1.21 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3dd5 h THR 180 CO 0.84 0.14 0.00 -1.54 -0.25 0.00 0.00 175.52 174.71 3dd5 n SER 181 N -4.40 0.33 -0.45 5.36 3.41 -1.26 -1.60 113.62 115.02 3dd5 n SER 181 Ca -0.00 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3dd5 n SER 181 Cb 0.17 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.51 3dd5 n SER 181 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dd5 n LYS 182 N -1.86 1.12 -5.19 4.33 5.02 -0.77 -4.92 118.16 115.90 3dd5 n LYS 182 Ca 0.03 -0.90 -0.32 0.00 -2.02 0.00 0.00 58.31 55.10 3dd5 n LYS 182 Cb 0.22 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.58 3dd5 n LYS 182 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dd5 s THR 183 N -2.50 2.13 -0.15 -0.18 2.01 -0.62 0.23 115.64 116.55 3dd5 s THR 183 Ca 0.19 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3dd5 s THR 183 Cb 0.18 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.91 3dd5 s THR 183 CO 0.58 0.56 -0.09 -0.70 -0.69 0.00 0.00 174.62 174.27 3dd5 s GLU 184 N 0.32 1.81 -0.17 4.92 2.56 -0.36 -4.92 118.70 122.87 3dd5 s GLU 184 Ca -0.18 -0.53 -0.14 0.00 0.00 0.00 0.00 54.97 54.13 3dd5 s GLU 184 Cb -0.18 -2.01 -0.05 0.00 2.00 0.00 0.00 34.13 33.89 3dd5 s GLU 184 CO 0.09 -0.34 0.29 0.08 -0.56 0.00 0.00 175.26 174.81 3dd5 s VAL 185 N 1.57 5.31 -0.42 3.70 1.01 -1.26 -1.66 120.40 128.64 3dd5 s VAL 185 Ca 0.03 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 3dd5 s VAL 185 Cb -0.14 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.69 3dd5 s VAL 185 CO -0.09 0.38 0.26 -0.31 0.00 0.00 0.00 175.10 175.35 3dd5 s TYR 186 N 0.52 3.34 0.13 5.22 1.51 0.25 -4.94 117.35 123.38 3dd5 s TYR 186 Ca 0.16 -1.51 0.09 0.00 -1.01 0.00 0.00 57.07 54.80 3dd5 s TYR 186 Cb -0.13 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 3dd5 s TYR 186 CO 0.04 -0.84 -0.16 0.00 -1.11 0.00 0.00 175.55 173.48 3dd5 s ASP 188 N -2.32 3.40 0.48 0.00 -1.08 -1.26 -5.02 116.67 110.86 3dd5 s ASP 188 Ca 0.20 -0.92 0.27 0.00 -0.52 0.00 0.00 52.55 51.58 3dd5 s ASP 188 Cb -0.10 -0.26 0.78 0.00 -1.46 0.00 0.00 42.92 41.88 3dd5 s ASP 188 CO 0.12 0.08 1.77 0.16 0.52 0.00 0.00 175.17 177.81 3dd5 h ILE 189 N 2.90 0.09 -0.26 4.11 3.07 -2.01 -2.97 117.51 122.44 3dd5 h ILE 189 Ca -0.44 -0.88 0.00 0.00 1.55 0.00 0.00 64.86 65.09 3dd5 h ILE 189 Cb 1.22 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 3dd5 h ILE 189 CO 0.52 0.04 0.00 0.00 -1.05 0.00 0.00 178.15 177.67 3dd5 n ALA 190 N -2.11 2.48 -3.14 0.16 0.00 -1.26 -4.82 120.51 111.82 3dd5 n ALA 190 Ca 0.02 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 3dd5 n ALA 190 Cb 0.44 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 3dd5 n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dd5 s ASP 191 N -1.39 5.85 0.42 0.00 3.68 -1.13 -4.56 116.67 119.55 3dd5 s ASP 191 Ca 0.31 -1.46 0.09 0.00 2.13 0.00 0.00 52.55 53.63 3dd5 s ASP 191 Cb 0.17 -2.07 0.93 0.00 -1.45 0.00 0.00 42.92 40.50 3dd5 s ASP 191 CO 0.24 -0.60 2.04 0.00 0.13 0.00 0.00 175.17 176.99 3dd5 h ALA 192 N 8.56 1.81 0.00 3.66 0.00 -1.88 -2.36 119.26 129.04 3dd5 h ALA 192 Ca -0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3dd5 h ALA 192 Cb 1.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3dd5 h ALA 192 CO 0.82 0.14 -0.06 -0.39 0.00 0.00 0.00 179.25 179.76 3dd5 h VAL 193 N 0.48 0.94 0.00 0.00 -1.51 -1.84 -1.27 116.25 113.05 3dd5 h VAL 193 Ca 0.18 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 3dd5 h VAL 193 Cb 0.11 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3dd5 h VAL 193 CO -0.04 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 176.35 3dd5 n TYR 195 N -2.45 0.00 0.00 0.00 4.02 -0.48 -3.42 117.16 114.83 3dd5 n TYR 195 Ca 0.01 -1.28 0.00 0.00 -0.01 0.00 0.00 57.90 56.62 3dd5 n TYR 195 Cb 0.22 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3dd5 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dd5 n GLY 196 N -0.84 2.94 3.79 2.72 0.00 -1.18 -4.98 105.19 107.64 3dd5 n GLY 196 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3dd5 n GLY 196 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dd5 s THR 197 N -2.78 2.53 0.00 2.61 -4.23 -1.22 -5.04 115.64 107.52 3dd5 s THR 197 Ca 0.00 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3dd5 s THR 197 Cb 0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3dd5 s THR 197 CO 0.00 -0.02 0.33 0.18 -0.54 0.00 0.00 174.62 174.56 3dd5 n LEU 198 N -1.35 0.49 -0.05 4.79 7.99 -1.26 -3.66 117.00 123.95 3dd5 n LEU 198 Ca 0.01 -0.49 -0.16 0.00 -0.01 0.00 0.00 56.01 55.36 3dd5 n LEU 198 Cb 0.63 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.80 3dd5 n LEU 198 CO 0.44 0.12 -0.92 0.49 -1.51 0.00 0.00 177.39 176.01 3dd5 n PHE 199 N -0.05 0.70 -3.87 -1.77 3.01 -1.26 -4.82 117.46 109.40 3dd5 n PHE 199 Ca 0.00 0.18 -0.36 0.00 1.01 0.00 0.00 57.45 58.29 3dd5 n PHE 199 Cb 0.22 -1.10 -0.13 0.00 -0.01 0.00 0.00 39.48 38.45 3dd5 n PHE 199 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3dd5 s ILE 200 N -2.55 3.18 0.26 4.37 -1.16 -1.26 -5.09 121.20 118.95 3dd5 s ILE 200 Ca -0.19 -1.30 0.05 0.00 -0.51 0.00 0.00 60.65 58.70 3dd5 s ILE 200 Cb 0.07 -2.81 -0.03 0.00 0.61 0.00 0.00 42.46 40.30 3dd5 s ILE 200 CO 0.75 -0.11 0.38 -0.76 -2.81 0.00 0.00 174.94 172.39 3dd5 s LEU 201 N 1.29 4.23 0.50 8.50 1.02 -1.26 -4.13 118.68 128.83 3dd5 s LEU 201 Ca -0.04 0.00 -0.22 0.00 0.02 0.00 0.00 54.13 53.89 3dd5 s LEU 201 Cb -0.20 -2.82 -0.08 0.00 0.02 0.00 0.00 46.19 43.11 3dd5 s LEU 201 CO -0.00 -0.14 1.00 -2.65 0.02 0.00 0.00 176.35 174.58 3dd5 n PRO 202 N -1.45 1.22 0.00 1.29 -0.02 -1.26 -4.86 135.00 129.92 3dd5 n PRO 202 Ca -0.07 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 3dd5 n PRO 202 Cb 0.57 -2.12 0.43 0.00 -0.02 0.00 0.00 33.50 32.36 3dd5 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dd5 n ALA 203 N -0.97 1.93 -3.70 3.55 0.00 -1.26 -4.86 120.51 115.20 3dd5 n ALA 203 Ca 0.11 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.55 3dd5 n ALA 203 Cb 0.43 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.62 3dd5 n ALA 203 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3dd5 n HIS 204 N -1.27 -0.92 -2.24 0.00 1.44 -1.26 -5.13 115.22 105.85 3dd5 n HIS 204 Ca 0.08 -0.84 -0.42 0.00 -2.01 0.00 0.00 57.72 54.53 3dd5 n HIS 204 Cb 0.13 0.40 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 3dd5 n HIS 204 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 3dd5 s PHE 205 N -2.83 2.73 -2.24 -1.40 5.36 -1.26 -4.91 117.98 113.43 3dd5 s PHE 205 Ca 0.19 0.77 0.19 0.00 -0.96 0.00 0.00 56.93 57.13 3dd5 s PHE 205 Cb -0.02 -3.66 0.11 0.00 -0.34 0.00 0.00 43.02 39.11 3dd5 s PHE 205 CO 0.03 -2.48 1.07 1.28 -1.46 0.00 0.00 175.22 173.66 3dd5 n LEU 206 N 5.85 2.39 -0.49 6.12 4.77 -1.26 -4.53 117.00 129.85 3dd5 n LEU 206 Ca 0.14 -0.93 0.07 0.00 -0.03 0.00 0.00 56.01 55.25 3dd5 n LEU 206 Cb 0.44 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.66 3dd5 n LEU 206 CO 0.58 0.42 0.39 -1.22 -1.33 0.00 0.00 177.39 176.24 3dd5 n TYR 207 N 0.75 0.00 -0.02 -1.77 4.01 -1.26 -4.86 117.16 114.01 3dd5 n TYR 207 Ca 0.10 -0.97 -0.09 0.00 -0.16 0.00 0.00 57.90 56.78 3dd5 n TYR 207 Cb 0.46 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 3dd5 n TYR 207 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dd5 h GLN 208 N 0.47 -0.30 0.00 -0.72 5.75 -1.99 0.21 115.11 118.53 3dd5 h GLN 208 Ca -0.03 0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3dd5 h GLN 208 Cb 1.16 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 3dd5 h GLN 208 CO 0.01 -0.20 -0.71 1.79 -2.65 0.00 0.00 178.83 177.07 3dd5 h THR 209 N -0.31 1.41 -0.54 2.39 1.35 -1.98 -0.68 112.91 114.55 3dd5 h THR 209 Ca 0.02 -2.51 0.11 0.00 -0.55 0.00 0.00 66.41 63.48 3dd5 h THR 209 Cb 0.38 2.39 -0.09 0.00 -1.73 0.00 0.00 68.15 69.10 3dd5 h THR 209 CO -0.27 0.70 0.01 0.44 -0.25 0.00 0.00 175.52 176.14 3dd5 h ASP 210 N 0.00 -0.22 1.68 5.36 3.32 -1.81 0.21 116.42 124.95 3dd5 h ASP 210 Ca -0.01 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3dd5 h ASP 210 Cb 1.34 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.10 3dd5 h ASP 210 CO 0.09 -0.08 -0.33 0.00 -1.72 0.00 0.00 179.24 177.21 3dd5 h ALA 211 N 1.48 0.82 0.00 3.45 0.00 -0.12 -0.69 119.26 124.20 3dd5 h ALA 211 Ca 0.28 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 3dd5 h ALA 211 Cb 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3dd5 h ALA 211 CO -0.45 0.29 -1.56 0.00 0.00 0.00 0.00 179.25 177.54 3dd5 h ALA 212 N 1.77 0.71 0.00 0.00 0.00 -0.68 -3.37 119.26 117.69 3dd5 h ALA 212 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.61 3dd5 h ALA 212 Cb 1.18 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3dd5 h ALA 212 CO 0.03 1.43 -0.05 0.28 0.00 0.00 0.00 179.25 180.94 3dd5 n VAL 213 N -3.06 0.89 0.37 0.00 0.31 0.69 -4.71 118.33 112.83 3dd5 n VAL 213 Ca -0.13 0.30 -0.19 0.00 -0.01 0.00 0.00 64.34 64.30 3dd5 n VAL 213 Cb 1.00 -1.33 -0.10 0.00 -0.91 0.00 0.00 33.84 32.49 3dd5 n VAL 213 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dd5 h ALA 214 N 0.00 -1.23 -0.23 3.52 0.00 -1.45 -2.29 119.26 117.59 3dd5 h ALA 214 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.74 3dd5 h ALA 214 Cb 0.05 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3dd5 h ALA 214 CO 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 179.25 177.81 3dd5 h ALA 215 N -1.05 -0.09 -0.89 0.00 0.00 -1.40 -0.81 119.26 115.02 3dd5 h ALA 215 Ca -0.09 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dd5 h ALA 215 Cb 0.94 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 3dd5 h ALA 215 CO 0.03 -0.64 0.58 -1.35 0.00 0.00 0.00 179.25 177.86 3dd5 h PRO 216 N -0.23 1.09 -0.06 0.00 0.11 -1.79 0.30 132.00 131.42 3dd5 h PRO 216 Ca 0.13 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.21 3dd5 h PRO 216 Cb 0.43 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 3dd5 h PRO 216 CO -0.37 0.72 -0.14 -0.09 -0.21 0.00 0.00 178.00 177.91 3dd5 h ARG 217 N 1.12 -0.20 -0.47 1.05 1.12 -0.67 0.22 114.38 116.54 3dd5 h ARG 217 Ca 0.36 0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 59.13 3dd5 h ARG 217 Cb 0.01 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.00 3dd5 h ARG 217 CO -0.12 -0.13 -0.13 0.35 -3.11 0.00 0.00 179.97 176.83 3dd5 h PHE 218 N -0.21 0.98 -0.09 2.20 3.57 -0.90 -0.81 116.94 121.68 3dd5 h PHE 218 Ca 0.07 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 3dd5 h PHE 218 Cb 0.30 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3dd5 h PHE 218 CO -0.23 0.95 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.72 3dd5 h LEU 219 N 0.79 0.18 -0.82 0.59 3.38 -0.10 -1.69 115.31 117.63 3dd5 h LEU 219 Ca 0.12 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3dd5 h LEU 219 Cb 0.65 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3dd5 h LEU 219 CO 0.05 0.48 0.52 -0.61 0.09 0.00 0.00 178.44 178.97 3dd5 h GLN 220 N -0.13 0.98 -0.01 1.13 4.15 -0.49 0.18 115.11 120.92 3dd5 h GLN 220 Ca 0.03 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 3dd5 h GLN 220 Cb 0.40 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3dd5 h GLN 220 CO 0.01 0.65 -0.21 0.00 -1.93 0.00 0.00 178.83 177.35 3dd5 h ALA 221 N 1.35 1.63 0.00 3.38 0.00 -1.09 -2.34 119.26 122.19 3dd5 h ALA 221 Ca 0.33 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 3dd5 h ALA 221 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3dd5 h ALA 221 CO -0.12 0.28 -1.34 0.00 0.00 0.00 0.00 179.25 178.07 3dd5 h ARG 222 N 0.02 0.00 0.11 0.00 2.47 -0.14 -3.33 114.38 113.51 3dd5 h ARG 222 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3dd5 h ARG 222 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3dd5 h ARG 222 CO 0.03 0.72 -0.05 0.82 0.56 0.00 0.00 179.97 182.05 3dd5 h ILE 223 N 0.00 1.04 0.00 2.04 2.04 -0.62 -3.46 117.51 118.55 3dd5 h ILE 223 Ca -0.15 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3dd5 h ILE 223 Cb 1.87 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3dd5 h ILE 223 CO 0.10 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.02