#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd5 h SER 33 N 0.00 0.00 -3.22 4.04 0.02 -1.91 -3.45 113.55 109.03 3dd5 h SER 33 Ca 0.00 -0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 60.24 3dd5 h SER 33 Cb 0.00 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.19 3dd5 h SER 33 CO 0.00 0.02 -0.84 -0.89 -1.14 0.00 0.00 176.83 173.98 3dd5 s THR 34 N -3.19 2.14 -0.10 -2.27 2.01 -1.26 0.63 115.64 113.59 3dd5 s THR 34 Ca 0.07 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.02 3dd5 s THR 34 Cb 0.10 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.67 3dd5 s THR 34 CO 0.67 0.43 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.82 3dd5 s ARG 35 N 1.26 1.54 -0.19 4.92 1.81 -1.26 -4.98 118.95 122.05 3dd5 s ARG 35 Ca 0.03 -0.27 0.14 0.00 -1.72 0.00 0.00 55.73 53.90 3dd5 s ARG 35 Cb -0.14 -1.54 0.44 0.00 -0.45 0.00 0.00 34.95 33.25 3dd5 s ARG 35 CO -0.11 -0.22 1.20 0.09 -0.68 0.00 0.00 175.30 175.58 3dd5 n ASN 36 N 4.75 2.17 0.21 0.23 4.13 -1.25 -1.33 115.26 124.18 3dd5 n ASN 36 Ca -0.14 -3.34 0.06 0.00 1.68 0.00 0.00 54.58 52.84 3dd5 n ASN 36 Cb 0.50 -0.44 0.47 0.00 -1.54 0.00 0.00 39.78 38.77 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 1.35 0.00 -0.04 3.52 5.08 -1.72 -1.84 114.58 120.93 3dd5 h GLU 37 Ca 0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3dd5 h GLU 37 Cb 1.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.57 3dd5 h GLU 37 CO 0.18 0.29 -0.59 1.25 -1.00 0.00 0.00 179.01 179.14 3dd5 h LEU 38 N 0.00 0.59 -1.92 1.33 5.85 -1.88 0.10 115.31 119.37 3dd5 h LEU 38 Ca -0.00 -0.71 0.11 0.00 0.84 0.00 0.00 57.88 58.11 3dd5 h LEU 38 Cb 0.60 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3dd5 h LEU 38 CO 0.04 1.21 0.46 -0.33 -0.34 0.00 0.00 178.44 179.48 3dd5 h GLU 39 N 0.01 0.00 0.00 1.25 5.08 -1.72 -3.23 114.58 115.97 3dd5 h GLU 39 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3dd5 h GLU 39 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3dd5 h GLU 39 CO 0.12 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.38 3dd5 n THR 40 N -3.55 0.00 -2.12 1.13 -2.24 -0.88 -5.06 114.28 101.56 3dd5 n THR 40 Ca 0.06 -0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 3dd5 n THR 40 Cb 0.62 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.63 2.87 0.27 3.38 0.00 0.02 -5.01 107.32 108.21 3dd5 s GLY 41 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 3dd5 s GLY 41 CO 0.00 1.63 0.99 -0.45 0.00 0.00 0.00 173.10 175.27 3dd5 s SER 42 N -1.03 7.44 0.00 1.64 0.15 -1.26 -4.93 113.70 115.71 3dd5 s SER 42 Ca 0.61 2.03 0.20 0.00 0.70 0.00 0.00 55.95 59.50 3dd5 s SER 42 Cb -0.34 -2.61 1.21 0.00 -1.71 0.00 0.00 66.02 62.57 3dd5 s SER 42 CO 0.42 0.00 1.61 -1.54 1.20 0.00 0.00 173.24 174.94 3dd5 n SER 43 N 1.19 0.00 -1.73 5.45 3.41 -1.26 -2.71 113.62 117.97 3dd5 n SER 43 Ca -0.01 -0.76 0.08 0.00 -0.26 0.00 0.00 58.87 57.92 3dd5 n SER 43 Cb 0.47 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.80 3dd5 n SER 43 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dd5 n SER 44 N -0.96 5.38 -2.85 4.04 7.64 -1.26 -4.44 113.62 121.17 3dd5 n SER 44 Ca 0.15 -2.86 -0.12 0.00 1.01 0.00 0.00 58.87 57.06 3dd5 n SER 44 Cb 0.07 -0.65 0.05 0.00 -1.01 0.00 0.00 64.21 62.67 3dd5 n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dd5 n ALA 45 N 0.58 -0.09 -2.40 -0.43 0.00 -1.10 -5.14 120.51 111.94 3dd5 n ALA 45 Ca 0.27 -1.97 -0.42 0.00 0.00 0.00 0.00 53.44 51.32 3dd5 n ALA 45 Cb 1.11 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.59 2.96 0.10 0.00 0.04 -1.26 -4.98 135.00 132.46 3dd5 s PRO 47 Ca 0.53 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 61.77 3dd5 s PRO 47 Cb -0.26 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 3dd5 s PRO 47 CO 0.30 -0.96 1.64 0.87 0.04 0.00 0.00 177.00 178.89 3dd5 h LYS 48 N -0.59 -0.50 -6.53 4.56 1.57 -1.89 -3.43 116.57 109.75 3dd5 h LYS 48 Ca -0.45 0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 57.67 3dd5 h LYS 48 Cb 1.25 0.11 -0.26 0.00 0.08 0.00 0.00 32.23 33.40 3dd5 h LYS 48 CO 0.63 -0.34 -0.84 0.08 -0.57 0.00 0.00 179.45 178.42 3dd5 s VAL 49 N -6.06 2.47 -0.14 0.50 1.01 -1.11 -1.78 120.40 115.29 3dd5 s VAL 49 Ca -0.16 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.80 3dd5 s VAL 49 Cb 0.07 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.54 3dd5 s VAL 49 CO 0.65 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 175.47 3dd5 s ILE 50 N -0.71 1.75 -0.18 2.22 1.01 -0.28 -1.53 121.20 123.49 3dd5 s ILE 50 Ca 0.11 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3dd5 s ILE 50 Cb -0.10 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.79 3dd5 s ILE 50 CO 0.01 0.49 -0.18 -0.47 0.00 0.00 0.00 174.94 174.78 3dd5 s TYR 51 N 1.09 2.79 -0.14 3.97 5.04 0.10 0.29 117.35 130.50 3dd5 s TYR 51 Ca -0.03 -1.54 -0.01 0.00 -2.44 0.00 0.00 57.07 53.06 3dd5 s TYR 51 Cb -0.14 -1.93 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 3dd5 s TYR 51 CO -0.05 -0.76 -0.12 0.42 -1.34 0.00 0.00 175.55 173.70 3dd5 s ILE 52 N 1.26 3.14 0.00 3.14 1.01 -0.28 -0.41 121.20 129.06 3dd5 s ILE 52 Ca 0.04 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.09 3dd5 s ILE 52 Cb -0.13 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3dd5 s ILE 52 CO -0.11 0.52 -0.10 0.12 0.00 0.00 0.00 174.94 175.36 3dd5 s PHE 53 N 0.40 0.93 -0.18 3.97 5.36 0.01 -1.54 117.98 126.93 3dd5 s PHE 53 Ca -0.10 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.64 3dd5 s PHE 53 Cb -0.16 -0.59 -0.01 0.00 -0.34 0.00 0.00 43.02 41.92 3dd5 s PHE 53 CO 0.05 -0.01 -0.08 0.00 -1.46 0.00 0.00 175.22 173.72 3dd5 s ALA 54 N -0.38 2.74 0.99 11.12 0.00 -0.76 -0.57 121.76 134.91 3dd5 s ALA 54 Ca 0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 3dd5 s ALA 54 Cb -0.05 -1.50 0.18 0.00 0.00 0.00 0.00 23.12 21.76 3dd5 s ALA 54 CO -0.00 -0.14 1.12 -0.98 0.00 0.00 0.00 175.76 175.76 3dd5 s ARG 55 N 0.99 0.47 0.71 0.00 1.70 -1.26 -1.90 118.95 119.66 3dd5 s ARG 55 Ca -0.01 0.32 -0.07 0.00 -0.47 0.00 0.00 55.73 55.51 3dd5 s ARG 55 Cb -0.15 -1.76 0.06 0.00 -0.57 0.00 0.00 34.95 32.54 3dd5 s ARG 55 CO -0.00 -2.66 1.03 0.00 -1.08 0.00 0.00 175.30 172.59 3dd5 s ALA 56 N -3.12 3.10 0.15 7.88 0.00 -1.13 -1.56 121.76 127.09 3dd5 s ALA 56 Ca 0.66 -0.89 -0.34 0.00 0.00 0.00 0.00 51.96 51.39 3dd5 s ALA 56 Cb -0.16 -2.64 -0.16 0.00 0.00 0.00 0.00 23.12 20.16 3dd5 s ALA 56 CO 0.56 -1.34 1.31 0.43 0.00 0.00 0.00 175.76 176.72 3dd5 n SER 57 N -2.96 1.85 0.00 0.00 7.64 -1.26 -2.46 113.62 116.42 3dd5 n SER 57 Ca 0.08 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3dd5 n SER 57 Cb 0.60 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 3dd5 n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dd5 n THR 58 N 2.16 0.00 -2.34 0.44 -2.24 0.29 -4.98 114.28 107.61 3dd5 n THR 58 Ca 0.16 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.54 3dd5 n THR 58 Cb 0.24 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.52 3dd5 n THR 58 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dd5 s GLU 59 N -1.82 4.53 0.86 -0.78 2.02 -1.03 -5.02 118.70 117.46 3dd5 s GLU 59 Ca 0.00 1.95 -0.10 0.00 0.02 0.00 0.00 54.97 56.84 3dd5 s GLU 59 Cb 0.00 -3.16 0.11 0.00 0.10 0.00 0.00 34.13 31.19 3dd5 s GLU 59 CO 0.00 0.05 1.13 -2.14 0.02 0.00 0.00 175.26 174.31 3dd5 s PRO 60 N -1.40 1.46 5.24 0.39 0.02 -1.26 -4.71 135.00 134.73 3dd5 s PRO 60 Ca 0.47 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.90 3dd5 s PRO 60 Cb -0.35 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3dd5 s PRO 60 CO 0.44 -2.28 0.00 0.41 -0.33 0.00 0.00 177.00 175.24 3dd5 n GLY 61 N -0.31 2.06 0.02 0.52 0.00 -1.26 -1.81 105.19 104.41 3dd5 n GLY 61 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 1.49 0.52 -0.00 1.61 0.23 0.19 -4.75 115.26 114.55 3dd5 n ASN 62 Ca 0.00 -0.76 0.03 0.00 -0.53 0.00 0.00 54.58 53.32 3dd5 n ASN 62 Cb 0.00 0.57 -0.04 0.00 -2.08 0.00 0.00 39.78 38.22 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 -0.55 2.60 0.00 -3.83 2.81 0.21 -3.40 117.12 114.96 3dd5 n MET 63 Ca 0.00 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3dd5 n MET 63 Cb 0.03 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.62 -1.98 0.11 3.03 0.00 -0.75 -4.13 105.19 103.09 3dd5 n GLY 64 Ca 0.00 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.17 1.65 0.00 -0.61 -5.35 -1.26 -4.41 119.36 109.20 3dd5 n ILE 65 Ca 0.00 -1.98 0.00 0.00 -0.27 0.00 0.00 62.75 60.50 3dd5 n ILE 65 Cb 0.00 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 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 -1.25 0.00 -0.05 7.28 3.41 -1.26 -4.96 113.62 116.79 3dd5 n SER 66 Ca 0.14 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.81 3dd5 n SER 66 Cb 0.63 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 65.02 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 1.14 1.79 0.46 7.33 0.00 -1.94 -2.58 119.26 125.45 3dd5 h ALA 67 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dd5 h ALA 67 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3dd5 h ALA 67 CO 0.00 0.15 -0.27 0.78 0.00 0.00 0.00 179.25 179.91 3dd5 h GLY 68 N 0.55 -0.86 2.00 0.00 0.00 -1.93 -2.90 103.07 99.92 3dd5 h GLY 68 Ca 0.21 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.88 3dd5 h GLY 68 CO -0.05 -0.30 -0.02 -2.55 0.00 0.00 0.00 176.54 173.62 3dd5 h PRO 69 N -0.68 0.00 -0.05 4.80 0.11 -1.71 -1.70 132.00 132.76 3dd5 h PRO 69 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3dd5 h PRO 69 Cb 0.54 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 3dd5 h PRO 69 CO 0.07 0.02 -0.03 0.82 -0.21 0.00 0.00 178.00 178.67 3dd5 h ILE 70 N 0.00 1.34 -0.35 4.15 2.04 -1.48 -1.05 117.51 122.16 3dd5 h ILE 70 Ca -0.00 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3dd5 h ILE 70 Cb 0.05 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3dd5 h ILE 70 CO 0.00 0.29 0.12 0.58 0.00 0.00 0.00 178.15 179.14 3dd5 h VAL 71 N -0.29 1.20 -0.62 1.67 2.07 -1.34 -2.50 116.25 116.43 3dd5 h VAL 71 Ca 0.01 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 66.99 3dd5 h VAL 71 Cb 0.48 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 3dd5 h VAL 71 CO 0.01 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.02 3dd5 h ALA 72 N 0.96 0.79 -0.66 1.67 0.00 -1.30 -0.88 119.26 119.83 3dd5 h ALA 72 Ca 0.11 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dd5 h ALA 72 Cb 0.23 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3dd5 h ALA 72 CO -0.01 -0.24 0.44 -0.44 0.00 0.00 0.00 179.25 179.00 3dd5 h ASP 73 N 0.35 0.75 -0.48 0.00 5.19 -1.08 -0.98 116.42 120.17 3dd5 h ASP 73 Ca 0.32 -0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.64 3dd5 h ASP 73 Cb 0.45 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 3dd5 h ASP 73 CO -0.36 0.54 -0.00 0.00 -3.12 0.00 0.00 179.24 176.30 3dd5 h ALA 74 N 1.25 0.65 -0.45 3.45 0.00 -1.02 0.31 119.26 123.44 3dd5 h ALA 74 Ca 0.25 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3dd5 h ALA 74 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dd5 h ALA 74 CO -0.06 0.46 -0.06 -0.07 0.00 0.00 0.00 179.25 179.51 3dd5 h LEU 75 N 0.71 0.77 -0.52 0.00 3.38 -1.11 -1.12 115.31 117.41 3dd5 h LEU 75 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3dd5 h LEU 75 Cb 0.52 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3dd5 h LEU 75 CO 0.03 0.87 0.23 -0.33 0.09 0.00 0.00 178.44 179.33 3dd5 h GLU 76 N 0.72 0.76 -0.27 1.13 5.08 -0.88 -1.18 114.58 119.94 3dd5 h GLU 76 Ca 0.13 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3dd5 h GLU 76 Cb 0.53 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3dd5 h GLU 76 CO 0.03 0.66 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.44 3dd5 h ARG 77 N 0.70 0.48 0.19 2.33 2.43 -0.12 -0.93 114.38 119.46 3dd5 h ARG 77 Ca 0.18 -0.15 -0.26 0.00 -0.81 0.00 0.00 59.98 58.93 3dd5 h ARG 77 Cb 0.16 -0.04 0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3dd5 h ARG 77 CO -0.02 0.63 -1.18 0.82 -1.51 0.00 0.00 179.97 178.71 3dd5 h ILE 78 N 0.44 1.35 0.00 1.20 2.04 -1.02 -3.40 117.51 118.11 3dd5 h ILE 78 Ca 0.08 -2.59 -0.09 0.00 1.00 0.00 0.00 64.86 63.25 3dd5 h ILE 78 Cb 0.55 3.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 3dd5 h ILE 78 CO 0.04 0.76 -1.65 -1.22 0.00 0.00 0.00 178.15 176.08 3dd5 n TYR 79 N -3.92 0.00 0.00 1.37 4.02 -0.46 -5.10 117.16 113.07 3dd5 n TYR 79 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 3dd5 n TYR 79 Cb 0.96 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 2.05 2.19 0.30 2.72 0.00 -0.35 -4.69 105.19 107.41 3dd5 n GLY 80 Ca -0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 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 0.98 0.00 4.61 0.00 -1.91 -2.16 119.26 120.79 3dd5 h ALA 81 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dd5 h ALA 81 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3dd5 h ALA 81 CO 0.00 0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.76 3dd5 n ASN 82 N -4.53 0.36 -0.09 0.00 3.02 -1.26 -2.25 115.26 110.51 3dd5 n ASN 82 Ca 0.08 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3dd5 n ASN 82 Cb 0.03 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3dd5 n ASN 82 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dd5 n ASP 83 N 0.49 0.00 -3.89 6.41 8.00 -0.82 -4.93 116.55 121.82 3dd5 n ASP 83 Ca 0.00 -1.02 -0.18 0.00 0.71 0.00 0.00 54.79 54.29 3dd5 n ASP 83 Cb 0.08 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.01 3dd5 n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dd5 s VAL 84 N 0.00 0.42 -0.26 2.53 1.01 -0.96 -2.74 120.40 120.42 3dd5 s VAL 84 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 3dd5 s VAL 84 Cb 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3dd5 s VAL 84 CO 0.00 0.18 0.29 0.26 0.00 0.00 0.00 175.10 175.83 3dd5 s TRP 85 N 0.73 3.27 -0.21 5.22 0.51 -0.58 -4.89 118.94 122.99 3dd5 s TRP 85 Ca -0.09 0.33 -0.08 0.00 -2.12 0.00 0.00 56.10 54.14 3dd5 s TRP 85 Cb -0.12 -2.45 -0.04 0.00 -0.81 0.00 0.00 33.47 30.05 3dd5 s TRP 85 CO -0.00 -0.11 0.08 0.08 -0.51 0.00 0.00 176.95 176.48 3dd5 s VAL 86 N 1.66 4.66 -0.05 4.03 1.01 -1.26 0.02 120.40 130.47 3dd5 s VAL 86 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3dd5 s VAL 86 Cb -0.15 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.12 3dd5 s VAL 86 CO 0.09 0.40 0.02 -1.58 0.00 0.00 0.00 175.10 174.02 3dd5 s GLN 87 N 0.94 0.29 0.29 2.72 2.00 0.45 -1.74 119.66 124.62 3dd5 s GLN 87 Ca 0.04 0.18 -0.21 0.00 -2.00 0.00 0.00 55.36 53.37 3dd5 s GLN 87 Cb -0.14 -0.65 -0.09 0.00 0.80 0.00 0.00 33.01 32.93 3dd5 s GLN 87 CO 0.03 -0.25 0.81 0.20 -0.50 0.00 0.00 175.29 175.59 3dd5 s GLY 88 N 1.67 2.60 -0.95 2.59 0.00 -0.44 -0.81 107.32 111.98 3dd5 s GLY 88 Ca -0.01 0.27 -0.22 0.00 0.00 0.00 0.00 44.72 44.76 3dd5 s GLY 88 CO -0.03 0.62 1.33 0.14 0.00 0.00 0.00 173.10 175.16 3dd5 s VAL 89 N -1.70 4.11 0.00 1.40 1.01 0.26 -4.87 120.40 120.62 3dd5 s VAL 89 Ca 0.49 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3dd5 s VAL 89 Cb -0.15 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.27 3dd5 s VAL 89 CO 0.20 -1.80 0.00 0.61 0.00 0.00 0.00 175.10 174.11 3dd5 n GLY 90 N 6.32 2.38 7.00 4.51 0.00 -1.26 -4.76 105.19 119.37 3dd5 n GLY 90 Ca 0.26 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 2.54 0.34 -0.02 0.00 -1.26 -3.02 105.19 108.77 3dd5 n GLY 91 Ca 0.00 -0.29 0.22 0.00 0.00 0.00 0.00 46.02 45.94 3dd5 n GLY 91 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dd5 h PRO 92 N 0.00 0.41 -5.87 1.61 0.11 -1.95 -3.40 132.00 122.91 3dd5 h PRO 92 Ca 0.00 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.57 3dd5 h PRO 92 Cb 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3dd5 h PRO 92 CO 0.00 0.27 1.49 -0.47 -0.21 0.00 0.00 178.00 179.08 3dd5 s TYR 93 N -5.69 1.34 -0.78 0.65 5.04 -1.17 -4.73 117.35 112.01 3dd5 s TYR 93 Ca -0.10 1.05 0.24 0.00 -2.44 0.00 0.00 57.07 55.82 3dd5 s TYR 93 Cb 0.29 -3.85 0.27 0.00 0.35 0.00 0.00 41.96 39.02 3dd5 s TYR 93 CO 0.79 -2.83 1.23 1.28 -1.34 0.00 0.00 175.55 174.68 3dd5 n LEU 94 N 13.55 0.62 -3.19 6.97 4.77 -1.26 -4.78 117.00 133.68 3dd5 n LEU 94 Ca 0.29 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 3dd5 n LEU 94 Cb 0.51 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3dd5 n LEU 94 CO 0.70 0.06 -0.01 0.00 -1.33 0.00 0.00 177.39 176.81 3dd5 n ALA 95 N -1.69 -1.03 -1.80 -1.18 0.00 -1.26 -4.63 120.51 108.92 3dd5 n ALA 95 Ca 0.04 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3dd5 n ALA 95 Cb 0.39 -3.50 -0.03 0.00 0.00 0.00 0.00 19.45 16.31 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 -2.74 6.50 0.13 0.00 3.84 -1.26 0.10 116.67 123.25 3dd5 s ASP 96 Ca 0.36 1.68 -0.12 0.00 -0.00 0.00 0.00 52.55 54.46 3dd5 s ASP 96 Cb -0.17 -2.53 -0.07 0.00 -1.38 0.00 0.00 42.92 38.77 3dd5 s ASP 96 CO 0.44 -0.67 1.43 -0.07 -0.00 0.00 0.00 175.17 176.30 3dd5 h LEU 97 N 1.10 0.96 -0.96 2.11 3.38 -1.96 -3.12 115.31 116.82 3dd5 h LEU 97 Ca -0.48 -0.50 0.13 0.00 0.09 0.00 0.00 57.88 57.13 3dd5 h LEU 97 Cb 1.19 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 3dd5 h LEU 97 CO 0.60 1.27 0.59 0.00 0.09 0.00 0.00 178.44 180.99 3dd5 h ALA 98 N 0.72 1.47 0.00 1.53 0.00 -2.03 -3.09 119.26 117.86 3dd5 h ALA 98 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dd5 h ALA 98 Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3dd5 h ALA 98 CO 0.10 0.14 0.00 0.77 0.00 0.00 0.00 179.25 180.26 3dd5 h SER 99 N 0.90 0.00 0.03 0.00 0.02 -1.93 -0.45 113.55 112.12 3dd5 h SER 99 Ca 0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3dd5 h SER 99 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 3dd5 h SER 99 CO -0.29 0.00 -0.01 0.78 -1.14 0.00 0.00 176.83 176.17 3dd5 h ASN 100 N 0.00 0.00 0.07 3.07 2.35 -1.70 -2.66 115.58 116.71 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 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3dd5 h ASN 100 CO 0.00 0.01 -0.09 0.49 -1.65 0.00 0.00 177.43 176.19 3dd5 n PHE 101 N -3.89 0.00 -1.89 1.19 3.72 -0.18 -4.18 117.46 112.24 3dd5 n PHE 101 Ca -0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 3dd5 n PHE 101 Cb 0.10 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.17 3.33 0.22 4.37 1.43 -1.18 -4.93 118.68 119.74 3dd5 s LEU 102 Ca 0.33 1.62 -0.08 0.00 -1.03 0.00 0.00 54.13 54.96 3dd5 s LEU 102 Cb 0.20 -4.50 0.35 0.00 0.03 0.00 0.00 46.19 42.27 3dd5 s LEU 102 CO 0.40 -1.12 1.70 -0.65 0.23 0.00 0.00 176.35 176.91 3dd5 h PRO 103 N -0.07 0.25 -0.05 1.29 0.11 -1.89 0.21 132.00 131.85 3dd5 h PRO 103 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dd5 h PRO 103 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dd5 h PRO 103 CO 0.59 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.29 3dd5 n ASP 104 N -5.15 0.40 0.00 -2.05 10.43 -1.26 -4.88 116.55 114.04 3dd5 n ASP 104 Ca 0.11 -1.66 0.00 0.00 2.57 0.00 0.00 54.79 55.81 3dd5 n ASP 104 Cb 0.37 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.29 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 0.79 0.60 3.83 0.44 0.00 0.06 -4.81 105.19 106.11 3dd5 n GLY 105 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.44 0.00 0.64 2.61 -1.32 -1.01 -4.18 115.64 109.93 3dd5 s THR 106 Ca 0.00 -0.73 -0.18 0.00 -1.21 0.00 0.00 61.69 59.57 3dd5 s THR 106 Cb 0.00 -2.63 -0.01 0.00 -1.51 0.00 0.00 72.50 68.34 3dd5 s THR 106 CO 0.00 0.00 1.22 -0.94 -2.21 0.00 0.00 174.62 172.69 3dd5 s SER 107 N -3.19 4.86 0.14 8.08 1.04 -1.25 -4.78 113.70 118.59 3dd5 s SER 107 Ca 0.17 2.40 -0.16 0.00 0.48 0.00 0.00 55.95 58.84 3dd5 s SER 107 Cb -0.03 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 3dd5 s SER 107 CO 0.06 -1.82 1.71 -1.28 0.98 0.00 0.00 173.24 172.90 3dd5 h SER 108 N 0.51 0.51 0.40 7.02 0.87 -1.99 -2.96 113.55 117.91 3dd5 h SER 108 Ca -0.50 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 59.92 3dd5 h SER 108 Cb 1.30 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3dd5 h SER 108 CO 0.53 0.49 -0.06 0.00 -0.53 0.00 0.00 176.83 177.26 3dd5 h ALA 109 N 1.04 1.17 0.08 6.23 0.00 -1.95 -2.30 119.26 123.53 3dd5 h ALA 109 Ca 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dd5 h ALA 109 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dd5 h ALA 109 CO -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 3dd5 h ALA 110 N 1.94 -0.10 -0.51 0.00 0.00 -1.81 -2.75 119.26 116.02 3dd5 h ALA 110 Ca -0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3dd5 h ALA 110 Cb 0.28 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3dd5 h ALA 110 CO 0.01 -0.40 -0.09 0.82 0.00 0.00 0.00 179.25 179.59 3dd5 h ILE 111 N -0.43 0.52 -0.68 0.00 2.04 -1.41 -2.67 117.51 114.89 3dd5 h ILE 111 Ca -0.01 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3dd5 h ILE 111 Cb 0.37 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3dd5 h ILE 111 CO 0.02 0.01 0.34 0.78 0.00 0.00 0.00 178.15 179.29 3dd5 h ASN 112 N 0.03 0.86 0.61 1.72 -0.26 -1.40 -2.39 115.58 114.76 3dd5 h ASN 112 Ca 0.25 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.88 3dd5 h ASN 112 Cb 0.39 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3dd5 h ASN 112 CO -0.50 0.72 -0.29 -0.08 -1.06 0.00 0.00 177.43 176.22 3dd5 h GLU 113 N 0.96 -0.79 -0.88 0.81 4.57 -1.34 -0.70 114.58 117.21 3dd5 h GLU 113 Ca 0.24 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.67 3dd5 h GLU 113 Cb 0.08 0.18 -0.16 0.00 -0.16 0.00 0.00 28.75 28.69 3dd5 h GLU 113 CO -0.03 -0.49 -0.07 0.00 -1.18 0.00 0.00 179.01 177.24 3dd5 h ALA 114 N -0.67 0.82 -0.67 2.92 0.00 -1.34 0.34 119.26 120.67 3dd5 h ALA 114 Ca -0.08 0.31 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3dd5 h ALA 114 Cb 0.67 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3dd5 h ALA 114 CO 0.14 -0.45 0.44 0.00 0.00 0.00 0.00 179.25 179.37 3dd5 h ARG 115 N 0.04 0.76 -0.21 0.00 3.08 -1.17 0.14 114.38 117.03 3dd5 h ARG 115 Ca 0.47 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.35 3dd5 h ARG 115 Cb 0.85 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3dd5 h ARG 115 CO -0.84 0.50 -0.40 -0.09 -1.07 0.00 0.00 179.97 178.08 3dd5 h ARG 116 N 0.78 0.47 0.08 0.04 2.43 0.12 -0.64 114.38 117.66 3dd5 h ARG 116 Ca 0.27 -0.23 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 3dd5 h ARG 116 Cb 0.09 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3dd5 h ARG 116 CO -0.08 0.79 -0.80 -0.07 -1.51 0.00 0.00 179.97 178.31 3dd5 h LEU 117 N 0.39 0.56 -1.36 3.80 3.38 -0.39 0.22 115.31 121.92 3dd5 h LEU 117 Ca 0.04 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.24 3dd5 h LEU 117 Cb 0.87 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3dd5 h LEU 117 CO 0.07 1.36 0.51 -0.26 0.09 0.00 0.00 178.44 180.21 3dd5 h PHE 118 N -0.16 0.77 0.08 1.13 0.04 -0.73 -0.65 116.94 117.43 3dd5 h PHE 118 Ca -0.12 0.02 -0.29 0.00 2.80 0.00 0.00 57.97 60.38 3dd5 h PHE 118 Cb 1.55 -0.25 0.03 0.00 2.20 0.00 0.00 35.95 39.48 3dd5 h PHE 118 CO 0.16 0.38 -1.18 1.15 -0.60 0.00 0.00 178.31 178.22 3dd5 h THR 119 N 0.74 1.28 -0.73 -1.55 2.02 -1.06 -2.19 112.91 111.42 3dd5 h THR 119 Ca 0.35 -2.39 0.06 0.00 0.77 0.00 0.00 66.41 65.20 3dd5 h THR 119 Cb 0.39 2.58 -0.06 0.00 -1.74 0.00 0.00 68.15 69.33 3dd5 h THR 119 CO -0.13 0.73 0.42 0.25 0.37 0.00 0.00 175.52 177.16 3dd5 h LEU 120 N 0.32 0.64 0.00 2.58 5.85 -0.62 0.30 115.31 124.38 3dd5 h LEU 120 Ca -0.17 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3dd5 h LEU 120 Cb 1.84 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 3dd5 h LEU 120 CO 0.23 0.41 -0.09 0.00 -0.34 0.00 0.00 178.44 178.64 3dd5 h ALA 121 N 1.37 -0.10 -0.88 1.25 0.00 -1.09 0.30 119.26 120.11 3dd5 h ALA 121 Ca 0.33 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3dd5 h ALA 121 Cb 0.19 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3dd5 h ALA 121 CO -0.18 -0.59 0.58 -0.97 0.00 0.00 0.00 179.25 178.09 3dd5 h ASN 122 N -0.16 0.94 -0.10 0.00 -1.24 -0.81 0.80 115.58 115.01 3dd5 h ASN 122 Ca 0.04 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 3dd5 h ASN 122 Cb 0.20 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 3dd5 h ASN 122 CO -0.09 0.64 -0.09 0.74 -1.29 0.00 0.00 177.43 177.33 3dd5 h THR 123 N 1.08 1.36 -0.03 -3.57 2.02 -0.13 -3.21 112.91 110.43 3dd5 h THR 123 Ca 0.35 -1.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 3dd5 h THR 123 Cb 0.05 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3dd5 h THR 123 CO -0.11 0.35 -0.20 0.50 0.37 0.00 0.00 175.52 176.43 3dd5 h LYS 124 N -0.17 0.18 -2.58 6.66 1.63 -0.29 -3.42 116.57 118.59 3dd5 h LYS 124 Ca 0.02 -0.16 -0.58 0.00 -0.85 0.00 0.00 60.65 59.07 3dd5 h LYS 124 Cb 0.60 0.04 -0.39 0.00 -0.60 0.00 0.00 32.23 31.87 3dd5 h LYS 124 CO 0.02 0.84 -0.85 0.00 -3.45 0.00 0.00 179.45 176.01 3dd5 n PRO 126 N 4.02 0.23 -0.19 0.00 -0.04 -1.21 -2.46 135.00 135.36 3dd5 n PRO 126 Ca 0.12 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 3dd5 n PRO 126 Cb 0.37 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.47 3dd5 n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dd5 n ASN 127 N -1.35 2.88 -4.79 3.54 3.02 -1.26 -4.96 115.26 112.35 3dd5 n ASN 127 Ca 0.09 -2.34 -0.37 0.00 -0.03 0.00 0.00 54.58 51.94 3dd5 n ASN 127 Cb 0.20 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.59 3.70 0.05 5.41 0.00 -1.03 -5.04 121.76 123.25 3dd5 s ALA 128 Ca 0.23 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 3dd5 s ALA 128 Cb 0.16 -2.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.94 3dd5 s ALA 128 CO 0.09 0.30 1.89 0.00 0.00 0.00 0.00 175.76 178.04 3dd5 s ALA 129 N -0.20 3.63 -0.06 0.00 0.00 -0.73 -4.87 121.76 119.52 3dd5 s ALA 129 Ca 0.16 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 3dd5 s ALA 129 Cb -0.13 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 3dd5 s ALA 129 CO 0.05 -1.46 0.37 0.42 0.00 0.00 0.00 175.76 175.15 3dd5 s ILE 130 N 3.96 5.15 0.04 0.00 1.01 -0.66 -1.12 121.20 129.57 3dd5 s ILE 130 Ca 0.84 0.75 0.05 0.00 0.00 0.00 0.00 60.65 62.29 3dd5 s ILE 130 Cb -0.42 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3dd5 s ILE 130 CO 0.39 0.50 -0.16 0.68 0.00 0.00 0.00 174.94 176.35 3dd5 s VAL 131 N -0.47 1.24 0.35 2.92 -7.23 0.15 0.08 120.40 117.44 3dd5 s VAL 131 Ca 0.22 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 3dd5 s VAL 131 Cb -0.15 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 3dd5 s VAL 131 CO 0.10 0.07 0.11 -0.94 -0.31 0.00 0.00 175.10 174.13 3dd5 s SER 132 N -1.10 2.25 0.04 4.85 1.04 -0.60 -1.12 113.70 119.05 3dd5 s SER 132 Ca 0.03 -1.54 -0.20 0.00 0.48 0.00 0.00 55.95 54.73 3dd5 s SER 132 Cb -0.08 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.36 3dd5 s SER 132 CO 0.01 -0.81 0.46 -0.83 0.98 0.00 0.00 173.24 173.05 3dd5 s GLY 133 N -3.49 -0.34 0.04 7.32 0.00 -0.59 -1.19 107.32 109.07 3dd5 s GLY 133 Ca 0.31 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.48 3dd5 s GLY 133 CO 0.15 0.15 -0.08 -0.32 0.00 0.00 0.00 173.10 173.00 3dd5 s GLY 134 N -1.99 0.51 -0.18 0.20 0.00 -0.15 -1.83 107.32 103.88 3dd5 s GLY 134 Ca -0.05 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 43.94 3dd5 s GLY 134 CO -0.02 -0.78 -0.15 -0.47 0.00 0.00 0.00 173.10 171.68 3dd5 s TYR 135 N -1.26 2.55 0.00 1.90 5.04 -0.80 0.09 117.35 124.87 3dd5 s TYR 135 Ca -0.08 -1.57 0.00 0.00 -2.44 0.00 0.00 57.07 52.98 3dd5 s TYR 135 Cb -0.09 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.46 3dd5 s TYR 135 CO 0.00 -0.76 0.00 0.45 -1.34 0.00 0.00 175.55 173.91 3dd5 n SER 136 N 4.66 0.00 -0.28 4.32 2.88 0.17 -1.35 113.62 124.02 3dd5 n SER 136 Ca -0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.46 3dd5 n SER 136 Cb 0.48 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.25 -1.10 -1.46 4.15 -1.84 0.24 115.11 115.36 3dd5 h GLN 137 Ca 0.00 -0.02 0.30 0.00 0.77 0.00 0.00 58.65 59.71 3dd5 h GLN 137 Cb 0.00 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.55 3dd5 h GLN 137 CO 0.00 0.17 0.74 0.78 -1.93 0.00 0.00 178.83 178.59 3dd5 h GLY 138 N 0.26 0.77 2.00 2.39 0.00 -0.17 0.11 103.07 108.44 3dd5 h GLY 138 Ca 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 3dd5 h GLY 138 CO -0.57 -0.10 -0.13 -0.91 0.00 0.00 0.00 176.54 174.82 3dd5 h THR 139 N 0.23 0.44 -0.00 4.70 1.35 -0.62 -2.00 112.91 117.01 3dd5 h THR 139 Ca 0.59 -0.71 -0.26 0.00 -0.55 0.00 0.00 66.41 65.49 3dd5 h THR 139 Cb 1.84 1.50 0.02 0.00 -1.73 0.00 0.00 68.15 69.77 3dd5 h THR 139 CO -0.20 0.13 -1.01 0.00 -0.25 0.00 0.00 175.52 174.19 3dd5 h ALA 140 N 1.87 0.13 -0.87 6.62 0.00 -0.81 -2.29 119.26 123.90 3dd5 h ALA 140 Ca -0.00 -0.69 0.09 0.00 0.00 0.00 0.00 54.91 54.31 3dd5 h ALA 140 Cb 0.48 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3dd5 h ALA 140 CO 0.02 0.66 0.52 0.28 0.00 0.00 0.00 179.25 180.73 3dd5 h VAL 141 N 0.37 0.95 -0.01 0.00 2.07 -1.18 0.46 116.25 118.91 3dd5 h VAL 141 Ca -0.12 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3dd5 h VAL 141 Cb 1.66 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3dd5 h VAL 141 CO 0.20 0.16 -0.01 0.24 0.02 0.00 0.00 177.57 178.18 3dd5 h MET 142 N 0.89 0.02 -0.58 1.57 2.86 -1.36 -1.41 114.93 116.91 3dd5 h MET 142 Ca 0.41 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.99 3dd5 h MET 142 Cb 0.32 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3dd5 h MET 142 CO -0.23 0.47 0.17 0.00 1.06 0.00 0.00 176.91 178.38 3dd5 h ALA 143 N 0.54 0.76 0.34 6.32 0.00 -1.30 -0.47 119.26 125.45 3dd5 h ALA 143 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3dd5 h ALA 143 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dd5 h ALA 143 CO 0.00 0.44 -0.16 0.78 0.00 0.00 0.00 179.25 180.31 3dd5 h GLY 144 N 0.82 -0.47 0.83 0.00 0.00 -0.11 -2.71 103.07 101.43 3dd5 h GLY 144 Ca 0.19 0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.52 3dd5 h GLY 144 CO -0.00 -0.17 -0.68 1.48 0.00 0.00 0.00 176.54 177.16 3dd5 h SER 145 N -0.48 0.57 0.40 0.19 4.64 -1.23 -3.36 113.55 114.28 3dd5 h SER 145 Ca -0.05 -0.78 -0.02 0.00 -0.47 0.00 0.00 61.79 60.48 3dd5 h SER 145 Cb 0.37 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3dd5 h SER 145 CO 0.08 1.28 -0.19 0.40 -0.87 0.00 0.00 176.83 177.53 3dd5 h ILE 146 N -0.07 0.60 0.00 0.95 2.04 -1.16 -2.83 117.51 117.05 3dd5 h ILE 146 Ca -0.09 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3dd5 h ILE 146 Cb 1.40 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3dd5 h ILE 146 CO 0.13 0.06 0.57 0.77 0.00 0.00 0.00 178.15 179.68 3dd5 h SER 147 N -0.71 0.00 -0.01 1.72 4.64 -1.62 0.34 113.55 117.90 3dd5 h SER 147 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3dd5 h SER 147 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3dd5 h SER 147 CO 0.09 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.65 3dd5 n GLY 148 N -1.26 -0.37 3.81 -0.77 0.00 -1.07 -4.81 105.19 100.72 3dd5 n GLY 148 Ca -0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 3.98 0.99 0.99 1.43 0.12 -5.04 118.68 120.20 3dd5 s LEU 149 Ca 0.12 1.75 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 3dd5 s LEU 149 Cb 0.09 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 3dd5 s LEU 149 CO 0.14 -0.39 -0.15 -1.54 0.23 0.00 0.00 176.35 174.64 3dd5 n SER 150 N -0.54 -3.52 -0.27 2.29 3.41 -1.26 -4.69 113.62 109.04 3dd5 n SER 150 Ca 0.07 0.22 -0.06 0.00 -0.26 0.00 0.00 58.87 58.83 3dd5 n SER 150 Cb 0.53 -0.99 0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3dd5 n SER 150 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dd5 h THR 151 N -1.39 1.25 0.18 6.66 2.02 -1.98 -1.27 112.91 118.38 3dd5 h THR 151 Ca -0.44 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 3dd5 h THR 151 Cb 1.30 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3dd5 h THR 151 CO 0.30 0.32 -0.08 0.74 0.37 0.00 0.00 175.52 177.17 3dd5 h THR 152 N 1.08 0.88 -0.36 3.16 2.02 -1.99 -0.73 112.91 116.97 3dd5 h THR 152 Ca 0.25 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3dd5 h THR 152 Cb 0.21 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3dd5 h THR 152 CO -0.02 0.05 0.21 0.40 0.37 0.00 0.00 175.52 176.53 3dd5 h ILE 153 N -0.35 1.12 -0.97 3.11 2.04 -1.92 -2.20 117.51 118.35 3dd5 h ILE 153 Ca -0.02 -0.29 0.16 0.00 1.00 0.00 0.00 64.86 65.70 3dd5 h ILE 153 Cb 0.27 0.67 -0.10 0.00 -0.74 0.00 0.00 36.82 36.93 3dd5 h ILE 153 CO 0.04 0.12 0.58 0.11 0.00 0.00 0.00 178.15 179.00 3dd5 h LYS 154 N 0.46 0.79 0.00 2.37 1.57 -1.11 0.20 116.57 120.85 3dd5 h LYS 154 Ca 0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3dd5 h LYS 154 Cb 0.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3dd5 h LYS 154 CO -0.02 0.52 0.00 -0.91 -0.57 0.00 0.00 179.45 178.47 3dd5 h ASN 155 N 0.81 0.00 0.73 0.86 4.21 -0.53 -3.03 115.58 118.63 3dd5 h ASN 155 Ca 0.52 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.78 3dd5 h ASN 155 Cb 0.70 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.86 3dd5 h ASN 155 CO -0.34 0.00 -1.33 -0.61 -1.29 0.00 0.00 177.43 173.87 3dd5 h GLN 156 N 0.00 0.04 -6.35 0.81 4.15 -0.16 -3.43 115.11 110.18 3dd5 h GLN 156 Ca 0.00 -0.07 -0.57 0.00 0.77 0.00 0.00 58.65 58.78 3dd5 h GLN 156 Cb 0.39 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 3dd5 h GLN 156 CO 0.00 0.85 1.05 0.42 -1.93 0.00 0.00 178.83 179.22 3dd5 s ILE 157 N -2.66 3.93 -0.23 2.39 1.01 -1.00 -1.65 121.20 122.99 3dd5 s ILE 157 Ca -0.03 1.04 0.22 0.00 0.00 0.00 0.00 60.65 61.89 3dd5 s ILE 157 Cb 0.09 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 3dd5 s ILE 157 CO 0.83 -0.45 0.96 0.29 0.00 0.00 0.00 174.94 176.57 3dd5 n LYS 158 N 7.58 0.59 -3.57 2.79 4.76 0.11 -4.92 118.16 125.50 3dd5 n LYS 158 Ca 0.17 0.07 -0.02 0.00 -2.87 0.00 0.00 58.31 55.66 3dd5 n LYS 158 Cb 0.46 -1.77 -0.05 0.00 -1.84 0.00 0.00 35.03 31.83 3dd5 n LYS 158 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3dd5 s GLY 159 N -4.34 -0.36 -0.07 0.72 0.00 -1.25 -4.71 107.32 97.30 3dd5 s GLY 159 Ca -0.01 2.78 0.04 0.00 0.00 0.00 0.00 44.72 47.53 3dd5 s GLY 159 CO 0.81 2.87 -0.21 0.14 0.00 0.00 0.00 173.10 176.71 3dd5 s VAL 160 N 2.11 1.74 -0.12 1.40 1.01 0.24 -1.56 120.40 125.22 3dd5 s VAL 160 Ca -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3dd5 s VAL 160 Cb -0.07 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3dd5 s VAL 160 CO -0.18 0.49 -0.18 0.68 0.00 0.00 0.00 175.10 175.92 3dd5 s VAL 161 N 0.18 2.59 -0.31 2.92 -7.23 -0.34 -1.89 120.40 116.33 3dd5 s VAL 161 Ca -0.10 -0.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 3dd5 s VAL 161 Cb -0.15 -2.05 0.08 0.00 0.56 0.00 0.00 36.38 34.82 3dd5 s VAL 161 CO 0.05 0.54 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.60 3dd5 s LEU 162 N 0.42 4.16 -0.50 1.32 1.43 -0.83 -0.98 118.68 123.70 3dd5 s LEU 162 Ca -0.13 -1.76 -0.23 0.00 -1.03 0.00 0.00 54.13 50.98 3dd5 s LEU 162 Cb -0.17 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.48 3dd5 s LEU 162 CO 0.06 -0.30 0.84 -0.36 0.23 0.00 0.00 176.35 176.83 3dd5 s PHE 163 N 1.03 2.91 -0.26 0.29 0.08 0.11 -1.52 117.98 120.62 3dd5 s PHE 163 Ca 0.01 0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 3dd5 s PHE 163 Cb -0.20 -3.85 -0.01 0.00 -0.57 0.00 0.00 43.02 38.39 3dd5 s PHE 163 CO -0.06 -1.16 0.22 0.41 -0.10 0.00 0.00 175.22 174.53 3dd5 n GLY 164 N 5.06 0.39 3.58 4.36 0.00 -0.79 0.43 105.19 118.23 3dd5 n GLY 164 Ca 0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3dd5 n GLY 164 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dd5 s TYR 165 N -3.09 1.44 0.08 1.61 5.04 -1.26 -3.28 117.35 117.88 3dd5 s TYR 165 Ca 0.09 0.83 0.33 0.00 -2.44 0.00 0.00 57.07 55.88 3dd5 s TYR 165 Cb -0.01 -3.95 1.35 0.00 0.35 0.00 0.00 41.96 39.70 3dd5 s TYR 165 CO 0.18 -3.09 1.97 1.79 -1.34 0.00 0.00 175.55 175.06 3dd5 h THR 166 N 7.11 0.00 -0.63 4.34 1.35 -1.75 0.97 112.91 124.29 3dd5 h THR 166 Ca -0.33 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3dd5 h THR 166 Cb 1.21 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3dd5 h THR 166 CO 1.07 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.63 3dd5 n LYS 167 N -3.06 3.22 -0.31 4.72 4.76 -1.26 -4.46 118.16 121.77 3dd5 n LYS 167 Ca 0.01 -2.70 0.00 0.00 -2.87 0.00 0.00 58.31 52.74 3dd5 n LYS 167 Cb 0.30 -1.69 0.07 0.00 -1.84 0.00 0.00 35.03 31.87 3dd5 n LYS 167 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3dd5 h ASN 168 N 3.83 -1.07 -0.09 4.39 -1.24 -1.05 0.84 115.58 121.19 3dd5 h ASN 168 Ca 0.00 0.27 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 3dd5 h ASN 168 Cb 1.19 0.61 -0.00 0.00 0.73 0.00 0.00 38.32 40.85 3dd5 h ASN 168 CO 0.11 -0.29 -0.01 0.25 -1.29 0.00 0.00 177.43 176.20 3dd5 h LEU 169 N -0.04 0.16 -0.66 0.34 5.85 -1.82 -0.08 115.31 119.07 3dd5 h LEU 169 Ca 0.35 -0.35 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3dd5 h LEU 169 Cb 0.61 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3dd5 h LEU 169 CO -0.87 0.47 0.03 -0.61 -0.34 0.00 0.00 178.44 177.12 3dd5 h GLN 170 N -0.15 1.07 -0.81 1.25 4.15 -1.69 -2.97 115.11 115.96 3dd5 h GLN 170 Ca 0.02 -0.32 -0.14 0.00 0.77 0.00 0.00 58.65 58.98 3dd5 h GLN 170 Cb 0.39 -0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.89 3dd5 h GLN 170 CO 0.01 1.03 0.18 0.09 -1.93 0.00 0.00 178.83 178.21 3dd5 n ASN 171 N -4.19 4.16 -4.17 -0.69 4.13 0.22 -4.93 115.26 109.79 3dd5 n ASN 171 Ca 0.03 -2.88 -0.32 0.00 1.68 0.00 0.00 54.58 53.09 3dd5 n ASN 171 Cb 0.33 -0.68 -0.06 0.00 -1.54 0.00 0.00 39.78 37.83 3dd5 n ASN 171 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3dd5 n LEU 172 N 0.02 -1.22 -1.53 3.41 7.99 -1.12 -1.49 117.00 123.05 3dd5 n LEU 172 Ca 0.30 -1.21 -0.19 0.00 -0.01 0.00 0.00 56.01 54.90 3dd5 n LEU 172 Cb 1.11 -1.78 -0.07 0.00 -0.11 0.00 0.00 43.42 42.58 3dd5 n LEU 172 CO 0.32 0.51 -0.19 0.61 -1.51 0.00 0.00 177.39 177.14 3dd5 n GLY 173 N -2.34 1.52 2.50 -0.72 0.00 -0.06 -4.97 105.19 101.13 3dd5 n GLY 173 Ca -0.28 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3dd5 n GLY 173 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dd5 n ARG 174 N -2.50 0.36 -3.79 1.61 1.85 -0.55 -4.90 116.66 108.73 3dd5 n ARG 174 Ca -0.19 -2.49 -0.36 0.00 -1.00 0.00 0.00 57.85 53.81 3dd5 n ARG 174 Cb 0.62 2.11 -0.13 0.00 -1.05 0.00 0.00 32.46 34.01 3dd5 n ARG 174 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3dd5 s ILE 175 N -2.98 3.97 0.00 8.89 1.01 -1.26 -4.78 121.20 126.05 3dd5 s ILE 175 Ca 0.29 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 3dd5 s ILE 175 Cb 0.01 -2.92 -0.14 0.00 0.01 0.00 0.00 42.46 39.42 3dd5 s ILE 175 CO 0.21 0.26 0.77 -2.65 0.00 0.00 0.00 174.94 173.53 3dd5 n PRO 176 N 4.87 0.00 -3.46 2.79 -0.02 -1.26 -1.07 135.00 136.86 3dd5 n PRO 176 Ca -0.16 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.07 3dd5 n PRO 176 Cb 0.50 -1.08 0.02 0.00 -0.02 0.00 0.00 33.50 32.92 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 1.09 -4.87 -3.84 2.55 3.02 -1.26 -4.28 115.26 107.67 3dd5 n ASN 177 Ca 0.14 -0.49 -0.16 0.00 -0.03 0.00 0.00 54.58 54.05 3dd5 n ASN 177 Cb 0.06 -3.94 -0.16 0.00 -0.61 0.00 0.00 39.78 35.13 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 -3.13 0.26 0.19 3.10 5.36 -0.23 -4.86 117.98 118.66 3dd5 s PHE 178 Ca 0.47 -0.00 -0.32 0.00 -0.96 0.00 0.00 56.93 56.12 3dd5 s PHE 178 Cb -0.23 -0.31 -0.16 0.00 -0.34 0.00 0.00 43.02 41.98 3dd5 s PHE 178 CO 0.58 -0.09 1.12 0.39 -1.46 0.00 0.00 175.22 175.76 3dd5 n GLU 179 N 3.79 1.15 0.22 10.12 -0.58 -1.26 -4.57 120.64 129.50 3dd5 n GLU 179 Ca -0.23 0.41 0.12 0.00 -0.42 0.00 0.00 57.16 57.04 3dd5 n GLU 179 Cb 0.53 -1.87 0.19 0.00 -0.57 0.00 0.00 31.44 29.72 3dd5 n GLU 179 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3dd5 h THR 180 N 2.52 0.03 0.00 2.62 1.35 -1.93 -3.00 112.91 114.50 3dd5 h THR 180 Ca -0.42 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3dd5 h THR 180 Cb 1.35 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 3dd5 h THR 180 CO 0.68 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.43 3dd5 n SER 181 N -3.10 0.00 -1.23 5.36 3.41 -1.26 -2.15 113.62 114.64 3dd5 n SER 181 Ca 0.04 0.46 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 3dd5 n SER 181 Cb 0.52 -0.48 0.29 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.48 3.06 -4.56 4.33 5.02 -1.13 -4.94 118.16 118.45 3dd5 n LYS 182 Ca 0.06 -2.60 -0.27 0.00 -2.02 0.00 0.00 58.31 53.49 3dd5 n LYS 182 Cb 0.27 -1.60 -0.17 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.33 1.34 -0.17 -0.18 2.01 -0.91 -0.59 115.64 115.81 3dd5 s THR 183 Ca 0.43 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3dd5 s THR 183 Cb 0.25 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.56 3dd5 s THR 183 CO 0.26 0.41 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.71 3dd5 s GLU 184 N 0.81 2.73 -0.19 4.92 2.56 -0.79 -4.94 118.70 123.81 3dd5 s GLU 184 Ca -0.11 -0.73 -0.09 0.00 0.00 0.00 0.00 54.97 54.04 3dd5 s GLU 184 Cb -0.15 -2.40 -0.05 0.00 2.00 0.00 0.00 34.13 33.53 3dd5 s GLU 184 CO 0.02 -0.22 0.10 0.08 -0.56 0.00 0.00 175.26 174.68 3dd5 s VAL 185 N 1.36 5.17 -0.70 3.70 1.01 -1.26 -1.96 120.40 127.72 3dd5 s VAL 185 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 3dd5 s VAL 185 Cb -0.13 -3.34 0.18 0.00 0.00 0.00 0.00 36.38 33.08 3dd5 s VAL 185 CO -0.12 0.46 0.52 -0.31 0.00 0.00 0.00 175.10 175.65 3dd5 s TYR 186 N 0.28 3.54 -0.20 5.22 1.51 -0.57 -4.98 117.35 122.14 3dd5 s TYR 186 Ca 0.06 -2.96 -0.07 0.00 -1.01 0.00 0.00 57.07 53.09 3dd5 s TYR 186 Cb -0.12 -3.09 -0.04 0.00 -0.11 0.00 0.00 41.96 38.61 3dd5 s TYR 186 CO -0.01 -0.75 0.06 0.00 -1.11 0.00 0.00 175.55 173.73 3dd5 s ASP 188 N 0.80 6.54 0.35 0.00 -1.08 -1.26 -5.01 116.67 117.01 3dd5 s ASP 188 Ca 0.03 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 53.07 3dd5 s ASP 188 Cb -0.14 -2.15 1.04 0.00 -1.46 0.00 0.00 42.92 40.21 3dd5 s ASP 188 CO 0.02 -0.04 1.80 0.16 0.52 0.00 0.00 175.17 177.63 3dd5 h ILE 189 N 1.93 0.00 -0.61 4.11 3.07 -1.99 -2.76 117.51 121.26 3dd5 h ILE 189 Ca -0.47 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.55 3dd5 h ILE 189 Cb 1.17 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 3dd5 h ILE 189 CO 0.70 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.80 3dd5 n ALA 190 N -1.89 2.40 -2.62 0.16 0.00 -1.26 -4.87 120.51 112.42 3dd5 n ALA 190 Ca 0.02 -1.18 -0.41 0.00 0.00 0.00 0.00 53.44 51.87 3dd5 n ALA 190 Cb 0.29 -0.92 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.18 5.93 0.47 0.00 3.68 -1.04 -4.54 116.67 119.99 3dd5 s ASP 191 Ca 0.45 -0.82 0.14 0.00 2.13 0.00 0.00 52.55 54.45 3dd5 s ASP 191 Cb 0.25 -2.10 1.12 0.00 -1.45 0.00 0.00 42.92 40.74 3dd5 s ASP 191 CO 0.33 -0.37 2.08 0.00 0.13 0.00 0.00 175.17 177.33 3dd5 h ALA 192 N 8.52 1.98 0.00 3.66 0.00 -1.86 -2.62 119.26 128.94 3dd5 h ALA 192 Ca -0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3dd5 h ALA 192 Cb 1.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dd5 h ALA 192 CO 0.68 -0.02 -0.09 -0.39 0.00 0.00 0.00 179.25 179.43 3dd5 h VAL 193 N 0.23 0.91 0.00 0.00 -1.51 -1.83 -1.28 116.25 112.78 3dd5 h VAL 193 Ca 0.12 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3dd5 h VAL 193 Cb 0.20 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3dd5 h VAL 193 CO -0.02 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.41 3dd5 n TYR 195 N -2.36 1.74 -3.27 0.00 4.02 -0.50 -3.75 117.16 113.05 3dd5 n TYR 195 Ca 0.04 -1.74 -0.22 0.00 -0.01 0.00 0.00 57.90 55.96 3dd5 n TYR 195 Cb 0.34 -0.65 0.06 0.00 -0.02 0.00 0.00 39.34 39.07 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 -1.12 -0.48 2.98 2.72 0.00 -0.97 -4.97 105.19 103.34 3dd5 n GLY 196 Ca 0.42 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 3dd5 n GLY 196 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dd5 s THR 197 N -3.23 0.06 0.00 2.61 2.01 -1.14 -5.05 115.64 110.89 3dd5 s THR 197 Ca 0.43 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.96 3dd5 s THR 197 Cb -0.19 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.11 3dd5 s THR 197 CO 0.53 -0.26 0.46 0.18 -0.69 0.00 0.00 174.62 174.84 3dd5 n LEU 198 N 2.20 0.85 -0.11 4.42 4.77 -1.26 -2.96 117.00 124.92 3dd5 n LEU 198 Ca -0.19 -0.85 -0.23 0.00 -0.03 0.00 0.00 56.01 54.72 3dd5 n LEU 198 Cb 0.57 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 3dd5 n LEU 198 CO 0.22 0.21 -1.18 0.49 -1.33 0.00 0.00 177.39 175.80 3dd5 n PHE 199 N -0.08 0.35 -2.99 -1.77 3.72 -1.26 -4.83 117.46 110.60 3dd5 n PHE 199 Ca 0.00 0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 57.07 3dd5 n PHE 199 Cb 0.13 -1.04 -0.05 0.00 -0.94 0.00 0.00 39.48 37.58 3dd5 n PHE 199 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3dd5 s ILE 200 N -2.50 4.64 0.28 4.37 1.09 -1.26 -5.02 121.20 122.80 3dd5 s ILE 200 Ca -0.33 0.13 -0.04 0.00 -1.10 0.00 0.00 60.65 59.31 3dd5 s ILE 200 Cb 0.10 -4.37 -0.05 0.00 -1.06 0.00 0.00 42.46 37.08 3dd5 s ILE 200 CO 0.60 -0.85 0.52 -0.76 -0.10 0.00 0.00 174.94 174.35 3dd5 s LEU 201 N 3.29 4.08 0.03 2.97 1.02 -1.26 -4.27 118.68 124.54 3dd5 s LEU 201 Ca 0.26 0.63 -0.33 0.00 0.02 0.00 0.00 54.13 54.71 3dd5 s LEU 201 Cb -0.14 -3.44 -0.17 0.00 0.02 0.00 0.00 46.19 42.46 3dd5 s LEU 201 CO 0.19 -0.18 0.85 -2.65 0.02 0.00 0.00 176.35 174.58 3dd5 n PRO 202 N -0.96 0.00 0.14 1.29 -0.02 -1.26 -4.90 135.00 129.29 3dd5 n PRO 202 Ca -0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3dd5 n PRO 202 Cb 0.54 -1.23 0.26 0.00 -0.02 0.00 0.00 33.50 33.05 3dd5 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dd5 h ALA 203 N 2.30 1.18 -2.71 3.55 0.00 -1.96 -3.45 119.26 118.17 3dd5 h ALA 203 Ca -0.41 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 53.96 3dd5 h ALA 203 Cb 1.25 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 3dd5 h ALA 203 CO 0.56 0.59 -0.30 -3.38 0.00 0.00 0.00 179.25 176.71 3dd5 s HIS 204 N -4.02 0.54 0.02 0.00 -3.43 -1.26 -5.12 115.29 102.02 3dd5 s HIS 204 Ca -0.03 -0.87 -0.32 0.00 -0.80 0.00 0.00 55.06 53.04 3dd5 s HIS 204 Cb 0.14 -0.06 -0.10 0.00 -1.43 0.00 0.00 32.58 31.12 3dd5 s HIS 204 CO 0.75 -0.81 1.92 0.34 -2.00 0.00 0.00 174.74 174.94 3dd5 n PHE 205 N -0.29 2.47 1.10 0.38 7.35 -1.26 -4.87 117.46 122.34 3dd5 n PHE 205 Ca -0.03 -0.22 0.12 0.00 -0.76 0.00 0.00 57.45 56.55 3dd5 n PHE 205 Cb 0.63 -2.75 0.35 0.00 0.35 0.00 0.00 39.48 38.07 3dd5 n PHE 205 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3dd5 n LEU 206 N 6.89 2.06 -0.65 -2.13 4.77 -1.26 -4.56 117.00 122.12 3dd5 n LEU 206 Ca 0.20 -0.82 0.04 0.00 -0.03 0.00 0.00 56.01 55.41 3dd5 n LEU 206 Cb 0.37 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3dd5 n LEU 206 CO 0.69 0.41 0.30 -1.22 -1.33 0.00 0.00 177.39 176.24 3dd5 n TYR 207 N 0.59 0.00 -0.03 -1.77 4.01 -1.26 -4.88 117.16 113.81 3dd5 n TYR 207 Ca 0.17 -0.58 -0.11 0.00 -0.16 0.00 0.00 57.90 57.22 3dd5 n TYR 207 Cb 0.41 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.38 -0.40 0.00 -0.72 5.75 -2.00 -0.07 115.11 118.06 3dd5 h GLN 208 Ca -0.05 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3dd5 h GLN 208 Cb 1.36 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 30.00 3dd5 h GLN 208 CO 0.02 -0.26 -0.11 1.79 -2.65 0.00 0.00 178.83 177.62 3dd5 h THR 209 N -0.41 0.21 -0.11 2.39 1.35 -1.98 -0.05 112.91 114.31 3dd5 h THR 209 Ca 0.10 -1.12 -0.09 0.00 -0.55 0.00 0.00 66.41 64.75 3dd5 h THR 209 Cb 0.59 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3dd5 h THR 209 CO -0.43 0.11 -0.26 0.44 -0.25 0.00 0.00 175.52 175.13 3dd5 h ASP 210 N 0.00 0.42 -0.12 5.36 3.32 -1.83 -0.56 116.42 123.02 3dd5 h ASP 210 Ca -0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 57.03 56.43 3dd5 h ASP 210 Cb 0.94 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 3dd5 h ASP 210 CO 0.01 0.92 -0.09 0.00 -1.72 0.00 0.00 179.24 178.37 3dd5 h ALA 211 N 0.51 0.17 0.00 3.45 0.00 -0.72 0.21 119.26 122.88 3dd5 h ALA 211 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3dd5 h ALA 211 Cb 0.86 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3dd5 h ALA 211 CO 0.06 -0.01 -0.65 0.00 0.00 0.00 0.00 179.25 178.65 3dd5 h ALA 212 N 0.61 0.73 0.00 0.00 0.00 -1.10 -3.38 119.26 116.13 3dd5 h ALA 212 Ca 0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 3dd5 h ALA 212 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3dd5 h ALA 212 CO 0.02 0.82 -0.96 0.28 0.00 0.00 0.00 179.25 179.41 3dd5 n VAL 213 N -3.49 0.43 0.00 0.00 0.31 -0.24 -4.70 118.33 110.64 3dd5 n VAL 213 Ca 0.00 0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.28 3dd5 n VAL 213 Cb 0.71 -1.58 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.12 -0.11 -0.60 3.52 0.00 -1.23 -3.16 119.26 117.55 3dd5 h ALA 214 Ca -0.07 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.65 3dd5 h ALA 214 Cb 0.87 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3dd5 h ALA 214 CO -0.04 -0.16 0.28 0.00 0.00 0.00 0.00 179.25 179.32 3dd5 h ALA 215 N -0.34 0.78 -0.17 0.00 0.00 -0.81 -0.97 119.26 117.75 3dd5 h ALA 215 Ca -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dd5 h ALA 215 Cb 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dd5 h ALA 215 CO 0.02 -0.10 -0.17 -1.35 0.00 0.00 0.00 179.25 177.65 3dd5 h PRO 216 N 0.51 0.28 0.70 0.00 0.11 -1.74 0.80 132.00 132.67 3dd5 h PRO 216 Ca 0.28 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 3dd5 h PRO 216 Cb 0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3dd5 h PRO 216 CO -0.23 0.45 -0.41 0.00 -0.21 0.00 0.00 178.00 177.61 3dd5 h ARG 217 N 0.26 -1.00 -0.83 1.05 3.08 -1.18 0.32 114.38 116.09 3dd5 h ARG 217 Ca 0.05 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.31 3dd5 h ARG 217 Cb 0.46 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 3dd5 h ARG 217 CO 0.03 -0.66 0.54 0.35 -1.07 0.00 0.00 179.97 179.16 3dd5 h PHE 218 N -1.04 0.67 0.13 3.04 3.57 -1.08 -1.87 116.94 120.35 3dd5 h PHE 218 Ca -0.09 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.14 3dd5 h PHE 218 Cb 0.82 -0.21 0.03 0.00 2.79 0.00 0.00 35.95 39.38 3dd5 h PHE 218 CO -0.08 0.25 -1.22 -0.07 -2.23 0.00 0.00 178.31 174.96 3dd5 h LEU 219 N 0.57 0.86 -1.61 0.59 3.38 -0.57 -3.20 115.31 115.32 3dd5 h LEU 219 Ca 0.41 -0.83 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 3dd5 h LEU 219 Cb 0.78 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3dd5 h LEU 219 CO -0.16 1.60 -0.21 -0.61 0.09 0.00 0.00 178.44 179.15 3dd5 h GLN 220 N 0.23 0.00 0.00 1.13 4.15 -0.03 -2.27 115.11 118.32 3dd5 h GLN 220 Ca -0.19 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 3dd5 h GLN 220 Cb 1.90 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.58 3dd5 h GLN 220 CO 0.23 0.21 -0.34 0.00 -1.93 0.00 0.00 178.83 177.01 3dd5 h ALA 221 N 1.79 0.83 -0.20 3.38 0.00 -1.35 -3.20 119.26 120.52 3dd5 h ALA 221 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3dd5 h ALA 221 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dd5 h ALA 221 CO 0.03 0.42 0.00 2.89 0.00 0.00 0.00 179.25 182.59 3dd5 n ARG 222 N -3.25 2.90 0.14 0.00 1.85 -1.15 -4.49 116.66 112.65 3dd5 n ARG 222 Ca 0.02 -1.85 -0.23 0.00 -1.00 0.00 0.00 57.85 54.79 3dd5 n ARG 222 Cb 0.61 -1.18 -0.15 0.00 -1.05 0.00 0.00 32.46 30.69 3dd5 n ARG 222 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3dd5 h ILE 223 N 1.15 1.34 0.00 8.89 2.04 -1.40 -3.46 117.51 126.06 3dd5 h ILE 223 Ca 0.00 -2.78 0.00 0.00 1.00 0.00 0.00 64.86 63.08 3dd5 h ILE 223 Cb 0.66 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 3dd5 h ILE 223 CO 0.01 0.83 0.00 0.61 0.00 0.00 0.00 178.15 179.59