#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd5 n SER 33 N 0.00 1.72 -3.77 -3.46 7.64 -1.26 -4.85 113.62 109.64 3dd5 n SER 33 Ca 0.00 -1.58 -0.28 0.00 1.01 0.00 0.00 58.87 58.02 3dd5 n SER 33 Cb 0.00 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.01 3dd5 n SER 33 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3dd5 s THR 34 N -0.62 0.73 -0.04 0.44 2.01 -1.26 0.74 115.64 117.64 3dd5 s THR 34 Ca 0.04 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.31 3dd5 s THR 34 Cb 0.02 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 3dd5 s THR 34 CO 0.03 -0.26 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.34 3dd5 s ARG 35 N 1.75 2.13 -0.24 4.92 1.81 -1.26 -4.99 118.95 123.06 3dd5 s ARG 35 Ca -0.00 -0.82 0.22 0.00 -1.72 0.00 0.00 55.73 53.41 3dd5 s ARG 35 Cb -0.17 -1.90 0.50 0.00 -0.45 0.00 0.00 34.95 32.92 3dd5 s ARG 35 CO -0.10 0.40 1.12 0.09 -0.68 0.00 0.00 175.30 176.13 3dd5 n ASN 36 N 2.81 1.76 0.20 0.23 3.02 -1.25 -2.41 115.26 119.61 3dd5 n ASN 36 Ca -0.17 -2.15 0.04 0.00 -0.03 0.00 0.00 54.58 52.28 3dd5 n ASN 36 Cb 0.52 -0.46 0.43 0.00 -0.61 0.00 0.00 39.78 39.67 3dd5 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3dd5 h GLU 37 N 2.44 0.00 -0.11 3.52 5.08 -1.81 -1.37 114.58 122.33 3dd5 h GLU 37 Ca -0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 3dd5 h GLU 37 Cb 1.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.60 3dd5 h GLU 37 CO 0.21 0.30 -0.58 1.25 -1.00 0.00 0.00 179.01 179.19 3dd5 h LEU 38 N 0.00 0.70 -0.51 1.33 5.85 -1.85 0.31 115.31 121.14 3dd5 h LEU 38 Ca -0.00 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 3dd5 h LEU 38 Cb 0.56 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3dd5 h LEU 38 CO 0.04 1.23 0.28 -0.08 -0.34 0.00 0.00 178.44 179.57 3dd5 h GLU 39 N 0.22 0.72 0.01 1.25 4.57 -1.77 -3.26 114.58 116.32 3dd5 h GLU 39 Ca -0.04 -0.08 -0.31 0.00 -1.18 0.00 0.00 59.36 57.75 3dd5 h GLU 39 Cb 1.22 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.62 3dd5 h GLU 39 CO 0.12 0.56 -1.81 0.25 -1.18 0.00 0.00 179.01 176.95 3dd5 n THR 40 N -4.64 1.60 -1.59 0.32 -2.24 -0.58 -4.95 114.28 102.20 3dd5 n THR 40 Ca 0.02 -0.79 -0.49 0.00 -2.27 0.00 0.00 64.05 60.52 3dd5 n THR 40 Cb 0.08 -1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 67.22 3dd5 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dd5 n GLY 41 N 1.62 0.22 3.81 3.38 0.00 0.10 -4.97 105.19 109.35 3dd5 n GLY 41 Ca -0.20 0.57 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 3dd5 n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dd5 s SER 42 N 0.15 7.06 0.00 1.61 0.15 -1.26 -4.95 113.70 116.46 3dd5 s SER 42 Ca 0.76 1.38 0.11 0.00 0.70 0.00 0.00 55.95 58.90 3dd5 s SER 42 Cb -0.86 -2.40 0.66 0.00 -1.71 0.00 0.00 66.02 61.71 3dd5 s SER 42 CO 0.50 0.08 1.09 -1.54 1.20 0.00 0.00 173.24 174.58 3dd5 n SER 43 N 0.90 0.00 0.01 5.45 3.41 -1.26 -1.85 113.62 120.28 3dd5 n SER 43 Ca -0.04 -0.63 0.11 0.00 -0.26 0.00 0.00 58.87 58.05 3dd5 n SER 43 Cb 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.85 0.30 -3.46 4.04 7.64 -1.26 -4.53 113.62 115.51 3dd5 n SER 44 Ca 0.08 -0.11 -0.35 0.00 1.01 0.00 0.00 58.87 59.51 3dd5 n SER 44 Cb 0.04 1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.10 5.11 -2.56 -0.43 0.00 -0.77 -5.07 120.51 114.69 3dd5 n ALA 45 Ca -0.02 -4.71 -0.42 0.00 0.00 0.00 0.00 53.44 48.29 3dd5 n ALA 45 Cb 0.52 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 0.91 1.78 0.10 0.00 0.04 -1.26 -5.00 135.00 131.57 3dd5 s PRO 47 Ca 0.54 -0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.03 3dd5 s PRO 47 Cb -0.24 -2.12 -0.14 0.00 0.04 0.00 0.00 34.50 32.04 3dd5 s PRO 47 CO 0.29 -1.53 1.33 -0.22 0.04 0.00 0.00 177.00 176.91 3dd5 h LYS 48 N -0.82 0.78 -5.03 4.56 3.64 -1.79 -3.40 116.57 114.51 3dd5 h LYS 48 Ca -0.43 -0.58 -0.55 0.00 -1.27 0.00 0.00 60.65 57.82 3dd5 h LYS 48 Cb 1.29 0.10 -0.32 0.00 -0.41 0.00 0.00 32.23 32.89 3dd5 h LYS 48 CO 0.53 1.20 -0.83 0.08 -2.27 0.00 0.00 179.45 178.15 3dd5 s VAL 49 N -3.89 1.35 -0.21 2.00 1.01 -0.62 -0.44 120.40 119.60 3dd5 s VAL 49 Ca -0.11 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3dd5 s VAL 49 Cb 0.09 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 3dd5 s VAL 49 CO 0.89 0.40 -0.07 -0.63 0.00 0.00 0.00 175.10 175.68 3dd5 s ILE 50 N 0.26 3.16 -0.27 2.22 1.01 0.71 -0.36 121.20 127.93 3dd5 s ILE 50 Ca -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 3dd5 s ILE 50 Cb -0.13 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.93 3dd5 s ILE 50 CO 0.03 0.44 0.01 -0.47 0.00 0.00 0.00 174.94 174.95 3dd5 s TYR 51 N 1.42 3.10 -0.13 3.97 5.04 0.77 -0.37 117.35 131.15 3dd5 s TYR 51 Ca 0.05 -1.24 -0.03 0.00 -2.44 0.00 0.00 57.07 53.42 3dd5 s TYR 51 Cb -0.14 -2.15 -0.03 0.00 0.35 0.00 0.00 41.96 39.99 3dd5 s TYR 51 CO -0.05 -0.64 -0.03 0.42 -1.34 0.00 0.00 175.55 173.91 3dd5 s ILE 52 N 1.42 4.00 -0.03 3.14 1.01 0.06 -0.15 121.20 130.65 3dd5 s ILE 52 Ca 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3dd5 s ILE 52 Cb -0.17 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.58 3dd5 s ILE 52 CO -0.01 0.53 -0.09 0.12 0.00 0.00 0.00 174.94 175.49 3dd5 s PHE 53 N -0.03 1.00 -0.25 3.97 5.36 0.19 -1.12 117.98 127.11 3dd5 s PHE 53 Ca 0.02 -0.28 -0.08 0.00 -0.96 0.00 0.00 56.93 55.63 3dd5 s PHE 53 Cb -0.13 -0.74 -0.03 0.00 -0.34 0.00 0.00 43.02 41.78 3dd5 s PHE 53 CO 0.02 -0.14 0.08 0.00 -1.46 0.00 0.00 175.22 173.72 3dd5 s ALA 54 N 0.39 3.19 0.78 11.12 0.00 0.63 -1.39 121.76 136.48 3dd5 s ALA 54 Ca -0.06 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 3dd5 s ALA 54 Cb -0.11 -2.10 0.06 0.00 0.00 0.00 0.00 23.12 20.97 3dd5 s ALA 54 CO 0.01 -0.46 1.09 -0.98 0.00 0.00 0.00 175.76 175.42 3dd5 s ARG 55 N 1.57 2.27 0.84 0.00 1.70 -1.26 -1.11 118.95 122.96 3dd5 s ARG 55 Ca 0.06 0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 55.84 3dd5 s ARG 55 Cb -0.15 -1.94 0.10 0.00 -0.57 0.00 0.00 34.95 32.39 3dd5 s ARG 55 CO 0.04 -1.49 1.10 0.00 -1.08 0.00 0.00 175.30 173.88 3dd5 s ALA 56 N -3.19 1.86 0.16 7.88 0.00 -0.88 -2.58 121.76 125.02 3dd5 s ALA 56 Ca 0.60 0.27 -0.34 0.00 0.00 0.00 0.00 51.96 52.49 3dd5 s ALA 56 Cb -0.14 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.54 3dd5 s ALA 56 CO 0.54 -2.17 1.45 0.43 0.00 0.00 0.00 175.76 176.01 3dd5 n SER 57 N -3.80 2.56 0.00 0.00 7.64 -1.26 -2.63 113.62 116.13 3dd5 n SER 57 Ca 0.09 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3dd5 n SER 57 Cb 0.53 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 2.71 0.00 -1.68 0.44 -1.04 0.20 -4.98 114.28 109.93 3dd5 n THR 58 Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.75 3dd5 n THR 58 Cb 0.27 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 -1.29 1.96 -1.81 -2.82 1.02 -1.08 -5.00 120.64 111.61 3dd5 n GLU 59 Ca 0.00 0.69 -0.29 0.00 -0.02 0.00 0.00 57.16 57.54 3dd5 n GLU 59 Cb 0.00 -2.29 0.11 0.00 -0.02 0.00 0.00 31.44 29.24 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 -1.96 1.68 5.19 3.49 0.04 -1.26 -4.75 135.00 137.42 3dd5 s PRO 60 Ca 0.58 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.75 3dd5 s PRO 60 Cb -0.56 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3dd5 s PRO 60 CO 0.60 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 176.26 3dd5 n GLY 61 N -3.05 2.67 0.00 0.56 0.00 -1.26 -1.74 105.19 102.36 3dd5 n GLY 61 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.35 0.62 -0.00 1.61 6.94 0.23 -4.69 115.26 120.32 3dd5 n ASN 62 Ca 0.00 -0.86 0.02 0.00 -0.02 0.00 0.00 54.58 53.71 3dd5 n ASN 62 Cb 0.00 0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.58 3dd5 n ASN 62 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3dd5 n MET 63 N -0.18 3.77 0.00 -3.83 2.81 -0.39 -2.99 117.12 116.31 3dd5 n MET 63 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3dd5 n MET 63 Cb 0.04 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 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 1.53 -1.11 0.07 3.03 0.00 -0.71 -4.04 105.19 103.96 3dd5 n GLY 64 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.56 0.94 0.00 -0.61 -6.64 -1.26 -4.57 119.36 106.66 3dd5 n ILE 65 Ca 0.00 -1.04 0.00 0.00 -1.77 0.00 0.00 62.75 59.94 3dd5 n ILE 65 Cb 0.00 0.40 0.00 0.00 -1.44 0.00 0.00 39.64 38.60 3dd5 n ILE 65 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3dd5 n SER 66 N -0.60 0.00 -0.23 7.28 3.41 -1.26 -4.90 113.62 117.32 3dd5 n SER 66 Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3dd5 n SER 66 Cb 0.44 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.00 0.91 -0.00 7.33 0.00 -1.90 -3.09 119.26 123.51 3dd5 h ALA 67 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dd5 h ALA 67 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dd5 h ALA 67 CO 0.00 -0.02 -0.10 0.78 0.00 0.00 0.00 179.25 179.91 3dd5 h GLY 68 N 0.62 -1.35 2.00 0.00 0.00 -1.91 -2.45 103.07 99.98 3dd5 h GLY 68 Ca 0.32 0.61 -0.01 0.00 0.00 0.00 0.00 47.33 48.25 3dd5 h GLY 68 CO -0.23 -0.48 -0.03 -2.55 0.00 0.00 0.00 176.54 173.25 3dd5 h PRO 69 N -0.12 0.00 -0.27 4.80 0.11 -1.72 -2.06 132.00 132.74 3dd5 h PRO 69 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3dd5 h PRO 69 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3dd5 h PRO 69 CO -0.06 0.03 -0.12 0.82 -0.21 0.00 0.00 178.00 178.46 3dd5 h ILE 70 N 0.00 1.30 -0.13 4.15 2.04 -1.39 -1.96 117.51 121.51 3dd5 h ILE 70 Ca -0.00 -1.20 -0.16 0.00 1.00 0.00 0.00 64.86 64.50 3dd5 h ILE 70 Cb 0.24 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3dd5 h ILE 70 CO 0.00 0.38 -0.59 0.58 0.00 0.00 0.00 178.15 178.52 3dd5 h VAL 71 N 0.30 1.35 0.28 1.67 2.07 -1.15 -1.09 116.25 119.68 3dd5 h VAL 71 Ca 0.06 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 3dd5 h VAL 71 Cb 0.63 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3dd5 h VAL 71 CO 0.04 0.58 -0.21 0.00 0.02 0.00 0.00 177.57 177.99 3dd5 h ALA 72 N 1.03 -0.49 -0.92 1.67 0.00 -1.36 -0.63 119.26 118.57 3dd5 h ALA 72 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dd5 h ALA 72 Cb 1.13 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 3dd5 h ALA 72 CO 0.10 -0.79 0.53 -0.44 0.00 0.00 0.00 179.25 178.65 3dd5 h ASP 73 N -0.50 1.13 -0.17 0.00 3.32 -1.24 0.40 116.42 119.37 3dd5 h ASP 73 Ca -0.02 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3dd5 h ASP 73 Cb 0.44 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3dd5 h ASP 73 CO -0.00 0.89 0.09 0.00 -1.72 0.00 0.00 179.24 178.49 3dd5 h ALA 74 N 1.29 0.22 -0.66 3.45 0.00 -1.09 0.22 119.26 122.68 3dd5 h ALA 74 Ca 0.33 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dd5 h ALA 74 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3dd5 h ALA 74 CO -0.06 -0.22 0.13 -0.07 0.00 0.00 0.00 179.25 179.03 3dd5 h LEU 75 N 0.16 1.03 -0.91 0.00 3.38 -0.24 -2.30 115.31 116.42 3dd5 h LEU 75 Ca 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3dd5 h LEU 75 Cb 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3dd5 h LEU 75 CO -0.01 1.01 0.35 -0.33 0.09 0.00 0.00 178.44 179.55 3dd5 h GLU 76 N 1.02 1.14 -0.46 1.13 5.08 0.01 -2.02 114.58 120.46 3dd5 h GLU 76 Ca 0.21 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3dd5 h GLU 76 Cb 0.41 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3dd5 h GLU 76 CO 0.01 0.89 0.07 -0.09 -1.00 0.00 0.00 179.01 178.89 3dd5 h ARG 77 N 1.12 0.72 0.06 2.33 2.43 -0.64 0.92 114.38 121.33 3dd5 h ARG 77 Ca 0.27 -0.16 -0.26 0.00 -0.81 0.00 0.00 59.98 59.02 3dd5 h ARG 77 Cb 0.15 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3dd5 h ARG 77 CO -0.03 0.69 -1.09 0.82 -1.51 0.00 0.00 179.97 178.85 3dd5 h ILE 78 N 0.69 1.39 0.00 1.20 2.04 -0.88 -3.38 117.51 118.56 3dd5 h ILE 78 Ca 0.15 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.43 3dd5 h ILE 78 Cb 0.33 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 3dd5 h ILE 78 CO 0.01 0.77 -0.80 -1.22 0.00 0.00 0.00 178.15 176.90 3dd5 n TYR 79 N -3.72 0.00 0.00 1.37 4.02 -0.81 -5.12 117.16 112.90 3dd5 n TYR 79 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3dd5 n TYR 79 Cb 0.92 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 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 1.70 -0.60 0.24 2.72 0.00 0.32 -4.47 105.19 105.09 3dd5 n GLY 80 Ca -0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 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 0.31 0.00 4.61 0.00 -1.91 -0.96 119.26 121.30 3dd5 h ALA 81 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dd5 h ALA 81 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dd5 h ALA 81 CO 0.00 -0.47 0.18 -2.95 0.00 0.00 0.00 179.25 176.01 3dd5 h ASN 82 N -0.03 0.00 -0.43 0.00 -0.00 -1.95 -1.57 115.58 111.60 3dd5 h ASN 82 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.56 3dd5 h ASN 82 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.76 3dd5 h ASN 82 CO -0.59 0.00 0.00 0.47 -0.00 0.00 0.00 177.43 177.31 3dd5 n ASP 83 N -2.92 3.78 -3.90 6.14 9.92 -0.37 -4.66 116.55 124.54 3dd5 n ASP 83 Ca -0.02 -2.41 -0.24 0.00 -0.53 0.00 0.00 54.79 51.59 3dd5 n ASP 83 Cb 0.24 -0.43 -0.17 0.00 -0.64 0.00 0.00 41.12 40.12 3dd5 n ASP 83 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3dd5 s VAL 84 N -1.74 0.80 -0.51 2.53 1.01 -0.59 -1.59 120.40 120.30 3dd5 s VAL 84 Ca 0.38 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3dd5 s VAL 84 Cb 0.25 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.89 3dd5 s VAL 84 CO 0.17 0.31 0.51 0.26 0.00 0.00 0.00 175.10 176.35 3dd5 s TRP 85 N 1.36 3.17 -0.16 5.22 0.52 0.52 -4.91 118.94 124.65 3dd5 s TRP 85 Ca -0.03 -0.90 -0.21 0.00 0.02 0.00 0.00 56.10 54.98 3dd5 s TRP 85 Cb -0.14 -3.48 -0.03 0.00 -1.15 0.00 0.00 33.47 28.67 3dd5 s TRP 85 CO -0.03 -0.96 0.60 0.08 0.02 0.00 0.00 176.95 176.66 3dd5 s VAL 86 N 2.01 5.06 -0.04 4.03 1.01 -1.26 -0.16 120.40 131.05 3dd5 s VAL 86 Ca 0.07 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.25 3dd5 s VAL 86 Cb -0.24 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3dd5 s VAL 86 CO 0.07 0.18 -0.10 -1.58 0.00 0.00 0.00 175.10 173.67 3dd5 s GLN 87 N 1.46 1.23 0.23 2.72 2.00 0.79 -2.23 119.66 125.86 3dd5 s GLN 87 Ca 0.29 -0.35 -0.03 0.00 -2.00 0.00 0.00 55.36 53.27 3dd5 s GLN 87 Cb -0.16 -1.10 -0.05 0.00 0.80 0.00 0.00 33.01 32.50 3dd5 s GLN 87 CO 0.12 0.09 0.46 0.20 -0.50 0.00 0.00 175.29 175.66 3dd5 s GLY 88 N 0.35 1.90 -0.85 2.59 0.00 -1.01 -0.63 107.32 109.66 3dd5 s GLY 88 Ca -0.07 -0.66 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 3dd5 s GLY 88 CO 0.01 -0.59 0.97 0.14 0.00 0.00 0.00 173.10 173.64 3dd5 s VAL 89 N -1.92 4.96 0.00 1.40 1.01 -0.48 -4.86 120.40 120.51 3dd5 s VAL 89 Ca 0.41 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.70 3dd5 s VAL 89 Cb -0.11 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.61 3dd5 s VAL 89 CO 0.28 -1.33 0.00 0.61 0.00 0.00 0.00 175.10 174.66 3dd5 n GLY 90 N 5.05 2.39 7.00 4.51 0.00 -1.26 -4.72 105.19 118.17 3dd5 n GLY 90 Ca 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 2.84 0.42 -0.02 0.00 -1.26 -2.28 105.19 109.88 3dd5 n GLY 91 Ca 0.00 -0.02 0.37 0.00 0.00 0.00 0.00 46.02 46.37 3dd5 n GLY 91 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dd5 n PRO 92 N 14.00 -0.04 -1.81 1.61 -0.02 -1.26 -4.27 135.00 143.20 3dd5 n PRO 92 Ca 0.00 1.30 -0.28 0.00 -2.02 0.00 0.00 63.50 62.50 3dd5 n PRO 92 Cb 0.00 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 30.96 3dd5 n PRO 92 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3dd5 s TYR 93 N -5.35 1.43 -0.28 6.00 5.04 -0.97 -4.54 117.35 118.70 3dd5 s TYR 93 Ca -0.08 1.23 0.19 0.00 -2.44 0.00 0.00 57.07 55.97 3dd5 s TYR 93 Cb 0.32 -3.80 0.15 0.00 0.35 0.00 0.00 41.96 38.99 3dd5 s TYR 93 CO 0.81 -2.02 1.42 -0.07 -1.34 0.00 0.00 175.55 174.34 3dd5 h LEU 94 N 19.11 0.00 2.03 6.97 3.38 -1.89 -3.45 115.31 141.46 3dd5 h LEU 94 Ca -0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.51 3dd5 h LEU 94 Cb 1.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 3dd5 h LEU 94 CO 1.15 0.26 -0.43 0.00 0.09 0.00 0.00 178.44 179.51 3dd5 n ALA 95 N -2.18 -0.45 -1.77 1.53 0.00 -1.26 -4.75 120.51 111.63 3dd5 n ALA 95 Ca 0.02 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 3dd5 n ALA 95 Cb 0.64 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.39 6.30 0.27 0.00 1.47 -1.26 0.63 116.67 121.70 3dd5 s ASP 96 Ca 0.00 1.74 -0.04 0.00 1.18 0.00 0.00 52.55 55.43 3dd5 s ASP 96 Cb 0.00 -2.53 0.36 0.00 -0.34 0.00 0.00 42.92 40.41 3dd5 s ASP 96 CO 0.00 -0.81 1.93 -0.07 0.68 0.00 0.00 175.17 176.91 3dd5 h LEU 97 N 0.97 1.06 -0.98 2.11 3.38 -1.93 -3.15 115.31 116.76 3dd5 h LEU 97 Ca -0.48 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 57.64 3dd5 h LEU 97 Cb 1.20 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 3dd5 h LEU 97 CO 0.59 0.75 0.59 0.00 0.09 0.00 0.00 178.44 180.47 3dd5 h ALA 98 N 1.43 1.57 0.00 1.53 0.00 -2.02 -2.46 119.26 119.31 3dd5 h ALA 98 Ca 0.36 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3dd5 h ALA 98 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dd5 h ALA 98 CO -0.10 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.61 3dd5 n SER 99 N -4.74 0.00 0.21 0.00 7.64 -1.19 -2.35 113.62 113.19 3dd5 n SER 99 Ca 0.21 -0.01 0.06 0.00 1.01 0.00 0.00 58.87 60.14 3dd5 n SER 99 Cb 0.49 -0.27 0.45 0.00 -1.01 0.00 0.00 64.21 63.87 3dd5 n SER 99 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3dd5 h ASN 100 N 0.00 0.00 0.77 6.43 2.35 -1.58 -2.59 115.58 120.96 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 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3dd5 h ASN 100 CO 0.00 0.30 -0.13 0.49 -1.65 0.00 0.00 177.43 176.44 3dd5 n PHE 101 N -3.84 0.00 -2.25 1.19 3.72 -0.99 -4.25 117.46 111.04 3dd5 n PHE 101 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 3dd5 n PHE 101 Cb 0.39 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.90 3.62 0.52 4.37 1.43 -1.18 -4.91 118.68 119.62 3dd5 s LEU 102 Ca 0.16 1.80 0.25 0.00 -1.03 0.00 0.00 54.13 55.31 3dd5 s LEU 102 Cb 0.19 -4.54 1.38 0.00 0.03 0.00 0.00 46.19 43.25 3dd5 s LEU 102 CO 0.56 -0.95 1.97 -0.65 0.23 0.00 0.00 176.35 177.52 3dd5 h PRO 103 N 0.84 0.03 -0.49 1.29 0.11 -1.89 0.10 132.00 132.00 3dd5 h PRO 103 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dd5 h PRO 103 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dd5 h PRO 103 CO 0.59 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 3dd5 n ASP 104 N -4.37 3.49 0.00 -2.05 10.43 -1.26 -4.95 116.55 117.84 3dd5 n ASP 104 Ca 0.11 -1.98 0.00 0.00 2.57 0.00 0.00 54.79 55.49 3dd5 n ASP 104 Cb 0.65 -0.32 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 1.53 1.12 3.80 0.44 0.00 0.36 -4.82 105.19 107.62 3dd5 n GLY 105 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.76 0.00 0.57 2.61 -1.32 -0.98 -4.04 115.64 109.71 3dd5 s THR 106 Ca 0.00 -0.65 -0.19 0.00 -1.21 0.00 0.00 61.69 59.64 3dd5 s THR 106 Cb 0.00 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3dd5 s THR 106 CO 0.00 0.00 1.20 -0.94 -2.21 0.00 0.00 174.62 172.67 3dd5 s SER 107 N -3.13 5.36 0.10 8.08 1.04 -1.26 -4.85 113.70 119.05 3dd5 s SER 107 Ca 0.16 2.36 -0.24 0.00 0.48 0.00 0.00 55.95 58.71 3dd5 s SER 107 Cb -0.02 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.39 3dd5 s SER 107 CO 0.04 -1.47 1.71 -1.28 0.98 0.00 0.00 173.24 173.21 3dd5 h SER 108 N 1.05 -0.22 -0.99 7.02 0.87 -1.99 -2.39 113.55 116.90 3dd5 h SER 108 Ca -0.50 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.15 3dd5 h SER 108 Cb 1.29 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 63.27 3dd5 h SER 108 CO 0.56 -0.12 0.64 0.00 -0.53 0.00 0.00 176.83 177.38 3dd5 h ALA 109 N 0.81 1.42 -0.65 6.23 0.00 -1.93 0.26 119.26 125.40 3dd5 h ALA 109 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3dd5 h ALA 109 Cb 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3dd5 h ALA 109 CO -0.06 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.83 3dd5 h ALA 110 N 1.46 1.12 -0.21 0.00 0.00 -1.77 0.70 119.26 120.57 3dd5 h ALA 110 Ca 0.42 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3dd5 h ALA 110 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dd5 h ALA 110 CO -0.16 0.60 -0.47 0.82 0.00 0.00 0.00 179.25 180.03 3dd5 h ILE 111 N 0.96 1.31 -0.55 0.00 2.04 -0.63 -2.19 117.51 118.46 3dd5 h ILE 111 Ca 0.21 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 3dd5 h ILE 111 Cb 0.28 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3dd5 h ILE 111 CO -0.01 0.53 0.29 0.78 0.00 0.00 0.00 178.15 179.74 3dd5 h ASN 112 N 0.43 0.69 0.01 1.72 2.35 0.10 -1.57 115.58 119.30 3dd5 h ASN 112 Ca 0.02 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3dd5 h ASN 112 Cb 0.99 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3dd5 h ASN 112 CO 0.09 0.59 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.26 3dd5 h GLU 113 N 0.73 0.25 0.10 0.81 4.57 -0.61 -0.72 114.58 119.71 3dd5 h GLU 113 Ca 0.19 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3dd5 h GLU 113 Cb 0.07 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3dd5 h GLU 113 CO -0.03 0.38 -0.05 0.00 -1.18 0.00 0.00 179.01 178.14 3dd5 h ALA 114 N 1.64 -0.13 -0.99 2.92 0.00 -1.09 -2.76 119.26 118.84 3dd5 h ALA 114 Ca 0.05 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.91 3dd5 h ALA 114 Cb 0.37 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 3dd5 h ALA 114 CO 0.02 -0.36 0.62 0.00 0.00 0.00 0.00 179.25 179.53 3dd5 h ARG 115 N -0.57 0.82 -0.16 0.00 3.08 -0.83 -1.63 114.38 115.10 3dd5 h ARG 115 Ca -0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3dd5 h ARG 115 Cb 0.46 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3dd5 h ARG 115 CO 0.02 0.54 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.28 3dd5 h ARG 116 N 0.84 0.35 -0.95 0.04 2.43 -1.16 -1.51 114.38 114.42 3dd5 h ARG 116 Ca 0.53 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 3dd5 h ARG 116 Cb 0.72 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 3dd5 h ARG 116 CO -0.31 0.68 0.61 -0.07 -1.51 0.00 0.00 179.97 179.37 3dd5 h LEU 117 N 0.02 0.93 -0.29 3.80 3.38 -1.16 0.15 115.31 122.13 3dd5 h LEU 117 Ca 0.03 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3dd5 h LEU 117 Cb 0.58 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3dd5 h LEU 117 CO 0.03 0.57 -0.12 -0.26 0.09 0.00 0.00 178.44 178.74 3dd5 h PHE 118 N 1.04 0.67 0.00 1.13 0.04 -1.16 -2.25 116.94 116.41 3dd5 h PHE 118 Ca 0.43 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 3dd5 h PHE 118 Cb 0.28 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 3dd5 h PHE 118 CO -0.00 0.82 -0.13 1.15 -0.60 0.00 0.00 178.31 179.54 3dd5 h THR 119 N 0.34 0.76 -0.17 -1.55 2.02 -1.04 -2.42 112.91 110.85 3dd5 h THR 119 Ca 0.07 -0.53 -0.15 0.00 0.77 0.00 0.00 66.41 66.56 3dd5 h THR 119 Cb 0.63 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3dd5 h THR 119 CO 0.04 0.13 -0.50 0.25 0.37 0.00 0.00 175.52 175.81 3dd5 h LEU 120 N 0.00 0.73 -0.77 2.58 6.46 -0.37 -2.54 115.31 121.40 3dd5 h LEU 120 Ca -0.00 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 3dd5 h LEU 120 Cb 0.31 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 3dd5 h LEU 120 CO 0.02 1.19 0.50 0.00 -0.62 0.00 0.00 178.44 179.52 3dd5 h ALA 121 N 0.56 0.97 -0.41 1.25 0.00 -1.08 -0.83 119.26 119.72 3dd5 h ALA 121 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3dd5 h ALA 121 Cb 1.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3dd5 h ALA 121 CO 0.11 0.40 -0.13 -0.97 0.00 0.00 0.00 179.25 178.66 3dd5 h ASN 122 N 1.04 0.74 0.03 0.00 -1.24 -1.44 0.46 115.58 115.16 3dd5 h ASN 122 Ca 0.28 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 3dd5 h ASN 122 Cb -0.10 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 38.75 3dd5 h ASN 122 CO -0.06 0.89 -0.02 0.71 -1.29 0.00 0.00 177.43 177.66 3dd5 h THR 123 N 0.67 1.40 -0.44 -3.57 1.35 -1.36 -3.23 112.91 107.73 3dd5 h THR 123 Ca 0.11 -1.60 -0.09 0.00 -0.55 0.00 0.00 66.41 64.29 3dd5 h THR 123 Cb 0.60 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 3dd5 h THR 123 CO 0.04 0.39 -0.07 0.50 -0.25 0.00 0.00 175.52 176.13 3dd5 h LYS 124 N -0.77 0.82 -1.85 4.72 1.63 -1.13 -3.39 116.57 116.61 3dd5 h LYS 124 Ca -0.00 -0.30 -0.53 0.00 -0.85 0.00 0.00 60.65 58.97 3dd5 h LYS 124 Cb 0.68 -0.06 -0.36 0.00 -0.60 0.00 0.00 32.23 31.89 3dd5 h LYS 124 CO 0.01 0.92 -1.03 0.00 -3.45 0.00 0.00 179.45 175.89 3dd5 h PRO 126 N 4.18 0.00 0.00 0.00 0.13 -1.68 -2.31 132.00 132.32 3dd5 h PRO 126 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3dd5 h PRO 126 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 3dd5 h PRO 126 CO 0.43 0.00 -0.78 -0.91 -0.23 0.00 0.00 178.00 176.52 3dd5 h ASN 127 N 0.00 0.00 -4.03 1.44 2.35 -1.91 -3.47 115.58 109.97 3dd5 h ASN 127 Ca 0.01 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3dd5 h ASN 127 Cb 0.04 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.51 3dd5 h ASN 127 CO -0.00 0.04 0.53 0.00 -1.65 0.00 0.00 177.43 176.35 3dd5 s ALA 128 N -3.29 2.86 -0.02 -0.83 0.00 -0.87 -5.00 121.76 114.60 3dd5 s ALA 128 Ca 0.01 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 3dd5 s ALA 128 Cb 0.08 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3dd5 s ALA 128 CO 0.76 -0.97 0.80 0.00 0.00 0.00 0.00 175.76 176.35 3dd5 s ALA 129 N -1.47 3.29 -0.16 0.00 0.00 0.42 -4.88 121.76 118.96 3dd5 s ALA 129 Ca 0.68 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 3dd5 s ALA 129 Cb -0.33 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3dd5 s ALA 129 CO 0.39 -0.11 0.22 0.42 0.00 0.00 0.00 175.76 176.68 3dd5 s ILE 130 N 0.69 5.36 0.06 0.00 1.01 -0.33 -0.21 121.20 127.78 3dd5 s ILE 130 Ca 0.42 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.52 3dd5 s ILE 130 Cb -0.19 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3dd5 s ILE 130 CO 0.22 0.46 -0.17 0.68 0.00 0.00 0.00 174.94 176.13 3dd5 s VAL 131 N 0.05 1.39 0.24 2.92 -7.23 0.50 0.69 120.40 118.96 3dd5 s VAL 131 Ca 0.14 -1.20 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 3dd5 s VAL 131 Cb -0.12 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 3dd5 s VAL 131 CO 0.02 0.02 0.04 -0.94 -0.31 0.00 0.00 175.10 173.93 3dd5 s SER 132 N -1.37 1.58 -0.04 4.85 1.04 -0.81 -0.76 113.70 118.19 3dd5 s SER 132 Ca 0.04 -1.29 -0.13 0.00 0.48 0.00 0.00 55.95 55.05 3dd5 s SER 132 Cb -0.09 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3dd5 s SER 132 CO 0.02 -0.61 0.29 -0.83 0.98 0.00 0.00 173.24 173.10 3dd5 s GLY 133 N -3.31 -0.15 -0.01 7.32 0.00 -0.27 -1.04 107.32 109.86 3dd5 s GLY 133 Ca 0.32 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 3dd5 s GLY 133 CO 0.10 0.22 0.04 -0.32 0.00 0.00 0.00 173.10 173.15 3dd5 s GLY 134 N -0.99 -0.01 -0.20 0.20 0.00 -1.02 -0.27 107.32 105.03 3dd5 s GLY 134 Ca -0.11 0.06 -0.00 0.00 0.00 0.00 0.00 44.72 44.67 3dd5 s GLY 134 CO 0.03 0.03 -0.15 -0.47 0.00 0.00 0.00 173.10 172.54 3dd5 s TYR 135 N -0.12 2.87 0.00 1.90 5.04 -0.26 -1.37 117.35 125.41 3dd5 s TYR 135 Ca -0.02 -1.54 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 3dd5 s TYR 135 Cb -0.01 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.33 3dd5 s TYR 135 CO 0.00 -0.75 0.00 0.45 -1.34 0.00 0.00 175.55 173.91 3dd5 n SER 136 N 4.65 0.00 -0.35 4.32 2.88 -0.60 -1.12 113.62 123.40 3dd5 n SER 136 Ca -0.20 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.36 3dd5 n SER 136 Cb 0.49 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.11 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 1.11 -1.19 -1.46 4.15 -1.84 -1.95 115.11 113.93 3dd5 h GLN 137 Ca 0.00 -0.07 0.34 0.00 0.77 0.00 0.00 58.65 59.69 3dd5 h GLN 137 Cb 0.00 -0.25 -0.06 0.00 0.21 0.00 0.00 27.48 27.38 3dd5 h GLN 137 CO 0.00 0.73 0.84 0.78 -1.93 0.00 0.00 178.83 179.25 3dd5 h GLY 138 N 1.14 0.30 1.82 2.39 0.00 -0.85 0.20 103.07 108.07 3dd5 h GLY 138 Ca 0.41 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 3dd5 h GLY 138 CO -0.16 -0.05 -0.41 -0.91 0.00 0.00 0.00 176.54 175.01 3dd5 h THR 139 N 0.08 1.31 0.00 4.70 1.35 -1.50 -0.57 112.91 118.28 3dd5 h THR 139 Ca 0.59 -1.51 -0.18 0.00 -0.55 0.00 0.00 66.41 64.77 3dd5 h THR 139 Cb 2.18 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 70.27 3dd5 h THR 139 CO -0.08 0.45 -0.85 0.00 -0.25 0.00 0.00 175.52 174.79 3dd5 h ALA 140 N 1.41 0.58 -0.67 6.62 0.00 -0.71 0.05 119.26 126.53 3dd5 h ALA 140 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.16 3dd5 h ALA 140 Cb 0.80 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3dd5 h ALA 140 CO 0.06 1.06 0.44 0.28 0.00 0.00 0.00 179.25 181.09 3dd5 h VAL 141 N 0.00 1.17 -0.07 0.00 2.07 -0.93 -0.91 116.25 117.57 3dd5 h VAL 141 Ca -0.01 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3dd5 h VAL 141 Cb 1.52 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3dd5 h VAL 141 CO 0.11 0.17 -0.06 0.24 0.02 0.00 0.00 177.57 178.04 3dd5 h MET 142 N 0.91 0.17 0.24 1.57 2.86 -0.80 -1.98 114.93 117.89 3dd5 h MET 142 Ca 0.24 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3dd5 h MET 142 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3dd5 h MET 142 CO -0.05 0.60 -0.11 0.00 1.06 0.00 0.00 176.91 178.40 3dd5 h ALA 143 N 0.57 -0.32 -0.42 6.32 0.00 -1.00 -1.03 119.26 123.37 3dd5 h ALA 143 Ca 0.01 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dd5 h ALA 143 Cb 0.56 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3dd5 h ALA 143 CO 0.02 -0.67 0.08 0.78 0.00 0.00 0.00 179.25 179.46 3dd5 h GLY 144 N -0.34 0.50 0.25 0.00 0.00 -1.24 -2.81 103.07 99.44 3dd5 h GLY 144 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3dd5 h GLY 144 CO 0.05 -0.04 -0.06 1.48 0.00 0.00 0.00 176.54 177.97 3dd5 h SER 145 N 0.22 -0.14 -0.77 0.19 4.64 -1.24 -3.32 113.55 113.13 3dd5 h SER 145 Ca 0.21 -0.39 0.13 0.00 -0.47 0.00 0.00 61.79 61.27 3dd5 h SER 145 Cb 0.25 0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.29 3dd5 h SER 145 CO -0.27 0.48 0.36 0.40 -0.87 0.00 0.00 176.83 176.92 3dd5 h ILE 146 N -0.92 0.74 0.00 0.95 2.04 -1.27 -2.80 117.51 116.24 3dd5 h ILE 146 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3dd5 h ILE 146 Cb 0.51 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3dd5 h ILE 146 CO 0.03 0.10 -0.09 0.77 0.00 0.00 0.00 178.15 178.95 3dd5 h SER 147 N 0.54 0.00 -0.47 1.72 4.64 -1.59 -1.83 113.55 116.57 3dd5 h SER 147 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3dd5 h SER 147 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3dd5 h SER 147 CO -0.35 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 3dd5 n GLY 148 N -1.12 1.81 3.82 -0.77 0.00 -1.06 -4.80 105.19 103.07 3dd5 n GLY 148 Ca -0.03 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.36 2.98 0.51 0.99 1.43 -0.69 -5.01 118.68 117.53 3dd5 s LEU 149 Ca 0.41 1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 54.81 3dd5 s LEU 149 Cb 0.23 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 3dd5 s LEU 149 CO 0.32 -1.57 1.17 -0.94 0.23 0.00 0.00 176.35 175.55 3dd5 s SER 150 N -3.85 5.86 0.26 2.29 1.04 -1.26 -4.79 113.70 113.25 3dd5 s SER 150 Ca 0.59 2.29 -0.09 0.00 0.48 0.00 0.00 55.95 59.22 3dd5 s SER 150 Cb -0.14 -2.60 0.41 0.00 0.10 0.00 0.00 66.02 63.80 3dd5 s SER 150 CO 0.55 -1.13 1.50 0.41 0.98 0.00 0.00 173.24 175.54 3dd5 n THR 151 N -0.93 -0.42 0.11 2.02 -1.04 -1.26 -1.13 114.28 111.64 3dd5 n THR 151 Ca 0.10 2.21 -0.13 0.00 -2.04 0.00 0.00 64.05 64.18 3dd5 n THR 151 Cb 0.49 -3.03 -0.08 0.00 -1.82 0.00 0.00 70.33 65.89 3dd5 n THR 151 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dd5 h THR 152 N 0.00 0.88 -0.25 12.58 1.03 -2.00 -2.70 112.91 122.44 3dd5 h THR 152 Ca 0.44 -0.20 -0.00 0.00 -0.01 0.00 0.00 66.41 66.64 3dd5 h THR 152 Cb 0.68 1.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.75 3dd5 h THR 152 CO -0.98 0.05 0.15 0.40 -0.01 0.00 0.00 175.52 175.12 3dd5 h ILE 153 N -0.32 1.10 -0.86 0.00 2.04 -1.66 -1.79 117.51 116.02 3dd5 h ILE 153 Ca -0.02 -0.24 0.18 0.00 1.00 0.00 0.00 64.86 65.78 3dd5 h ILE 153 Cb 0.25 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3dd5 h ILE 153 CO 0.04 0.10 0.57 0.11 0.00 0.00 0.00 178.15 178.96 3dd5 h LYS 154 N 0.31 0.41 -0.17 2.37 1.57 -1.13 0.13 116.57 120.06 3dd5 h LYS 154 Ca 0.09 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3dd5 h LYS 154 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3dd5 h LYS 154 CO -0.02 0.27 -0.21 -0.97 -0.57 0.00 0.00 179.45 177.96 3dd5 h ASN 155 N 0.43 0.29 0.79 0.86 -1.24 -0.98 -2.76 115.58 112.96 3dd5 h ASN 155 Ca 0.44 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.31 3dd5 h ASN 155 Cb 1.05 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 3dd5 h ASN 155 CO -0.16 0.52 -0.25 -0.61 -1.29 0.00 0.00 177.43 175.63 3dd5 h GLN 156 N 0.28 0.00 -6.45 6.67 4.15 -0.54 -3.41 115.11 115.81 3dd5 h GLN 156 Ca 0.05 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.92 3dd5 h GLN 156 Cb 0.53 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 3dd5 h GLN 156 CO 0.04 0.25 1.08 0.42 -1.93 0.00 0.00 178.83 178.69 3dd5 s ILE 157 N -3.75 3.83 -0.20 2.39 1.01 -1.02 -1.19 121.20 122.28 3dd5 s ILE 157 Ca -0.00 0.75 0.23 0.00 0.00 0.00 0.00 60.65 61.62 3dd5 s ILE 157 Cb 0.11 -4.42 0.27 0.00 0.01 0.00 0.00 42.46 38.43 3dd5 s ILE 157 CO 0.64 -1.10 1.67 0.11 0.00 0.00 0.00 174.94 176.25 3dd5 h LYS 158 N 10.86 0.00 -1.32 2.79 1.79 0.02 -3.47 116.57 127.23 3dd5 h LYS 158 Ca -0.27 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.35 3dd5 h LYS 158 Cb 1.09 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.44 3dd5 h LYS 158 CO 1.16 0.15 0.60 0.20 -1.08 0.00 0.00 179.45 180.48 3dd5 s GLY 159 N -4.28 0.22 -0.12 3.86 0.00 -1.24 -4.82 107.32 100.95 3dd5 s GLY 159 Ca 0.04 3.32 0.02 0.00 0.00 0.00 0.00 44.72 48.11 3dd5 s GLY 159 CO 0.66 2.35 -0.18 0.14 0.00 0.00 0.00 173.10 176.07 3dd5 s VAL 160 N 0.76 1.71 -0.13 1.40 1.01 -0.08 -1.92 120.40 123.16 3dd5 s VAL 160 Ca -0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3dd5 s VAL 160 Cb -0.04 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3dd5 s VAL 160 CO -0.12 0.48 0.00 0.68 0.00 0.00 0.00 175.10 176.14 3dd5 s VAL 161 N 0.85 4.28 -0.24 2.92 -7.23 -0.21 -1.06 120.40 119.72 3dd5 s VAL 161 Ca -0.08 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 3dd5 s VAL 161 Cb -0.15 -2.85 0.06 0.00 0.56 0.00 0.00 36.38 33.99 3dd5 s VAL 161 CO -0.00 0.53 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.47 3dd5 s LEU 162 N -0.18 2.83 -0.38 1.32 1.43 -0.27 -2.43 118.68 121.01 3dd5 s LEU 162 Ca 0.05 -1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 51.80 3dd5 s LEU 162 Cb -0.13 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.77 3dd5 s LEU 162 CO 0.02 -0.20 0.37 -0.36 0.23 0.00 0.00 176.35 176.41 3dd5 s PHE 163 N 1.28 3.20 -0.50 0.29 0.08 -0.47 -0.39 117.98 121.47 3dd5 s PHE 163 Ca -0.06 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 3dd5 s PHE 163 Cb -0.19 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 3dd5 s PHE 163 CO -0.06 -0.54 0.52 0.41 -0.10 0.00 0.00 175.22 175.44 3dd5 n GLY 164 N 5.06 -1.06 3.60 4.36 0.00 -0.54 -1.56 105.19 115.05 3dd5 n GLY 164 Ca -0.09 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.79 2.55 -1.03 1.61 5.04 -1.26 -2.98 117.35 118.48 3dd5 s TYR 165 Ca 0.05 0.65 0.16 0.00 -2.44 0.00 0.00 57.07 55.50 3dd5 s TYR 165 Cb -0.01 -4.39 0.71 0.00 0.35 0.00 0.00 41.96 38.62 3dd5 s TYR 165 CO 0.58 -1.70 1.52 0.25 -1.34 0.00 0.00 175.55 174.86 3dd5 n THR 166 N 6.96 0.85 -1.89 4.34 -2.24 -1.26 -2.18 114.28 118.86 3dd5 n THR 166 Ca 0.14 0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 62.10 3dd5 n THR 166 Cb 0.49 -0.93 0.13 0.00 -2.10 0.00 0.00 70.33 67.91 3dd5 n THR 166 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dd5 n LYS 167 N -1.48 2.04 0.14 -0.78 4.76 -1.26 -4.80 118.16 116.77 3dd5 n LYS 167 Ca 0.04 -3.44 -0.13 0.00 -2.87 0.00 0.00 58.31 51.91 3dd5 n LYS 167 Cb 0.19 -1.65 -0.08 0.00 -1.84 0.00 0.00 35.03 31.65 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 1.44 -0.31 -0.07 4.39 -1.24 -1.70 0.25 115.58 118.34 3dd5 h ASN 168 Ca 0.08 -0.19 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 3dd5 h ASN 168 Cb 1.27 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 40.39 3dd5 h ASN 168 CO 0.25 0.05 -0.00 0.25 -1.29 0.00 0.00 177.43 176.69 3dd5 h LEU 169 N -0.71 0.13 -1.42 0.34 5.85 -1.84 0.38 115.31 118.05 3dd5 h LEU 169 Ca -0.04 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 3dd5 h LEU 169 Cb 0.48 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3dd5 h LEU 169 CO 0.06 0.41 -0.14 1.56 -0.34 0.00 0.00 178.44 179.99 3dd5 h GLN 170 N -0.15 0.21 -0.59 1.25 7.50 -1.88 -2.90 115.11 118.55 3dd5 h GLN 170 Ca 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3dd5 h GLN 170 Cb 0.34 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.84 3dd5 h GLN 170 CO 0.00 0.36 0.00 0.09 -1.50 0.00 0.00 178.83 177.78 3dd5 n ASN 171 N -4.28 4.69 -3.38 1.46 3.02 0.88 -4.95 115.26 112.70 3dd5 n ASN 171 Ca -0.01 -2.53 -0.22 0.00 -0.03 0.00 0.00 54.58 51.79 3dd5 n ASN 171 Cb 0.27 -0.57 0.07 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.88 -3.33 0.00 3.41 7.99 -1.10 -2.14 117.00 122.71 3dd5 n LEU 172 Ca 0.25 -0.51 0.00 0.00 -0.01 0.00 0.00 56.01 55.74 3dd5 n LEU 172 Cb 0.90 -2.87 0.00 0.00 -0.11 0.00 0.00 43.42 41.34 3dd5 n LEU 172 CO 0.23 0.61 0.00 0.61 -1.51 0.00 0.00 177.39 177.33 3dd5 n GLY 173 N -1.89 0.43 3.47 -0.72 0.00 0.13 -4.99 105.19 101.63 3dd5 n GLY 173 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.64 1.88 -0.30 1.61 1.70 -0.91 -4.91 118.95 117.38 3dd5 s ARG 174 Ca 0.00 -2.13 -0.10 0.00 -0.47 0.00 0.00 55.73 53.02 3dd5 s ARG 174 Cb 0.00 -0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 33.88 3dd5 s ARG 174 CO 0.00 -0.49 0.17 0.42 -1.08 0.00 0.00 175.30 174.32 3dd5 s ILE 175 N -3.27 4.91 0.35 4.99 1.01 -1.26 -4.72 121.20 123.22 3dd5 s ILE 175 Ca 0.27 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 3dd5 s ILE 175 Cb 0.03 -3.43 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 3dd5 s ILE 175 CO 0.16 0.15 1.51 -2.84 0.00 0.00 0.00 174.94 173.92 3dd5 s PRO 176 N 1.68 4.12 -1.82 2.79 0.02 -1.26 -1.74 135.00 138.78 3dd5 s PRO 176 Ca 0.06 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3dd5 s PRO 176 Cb -0.16 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3dd5 s PRO 176 CO 0.08 -0.55 0.00 0.09 -0.33 0.00 0.00 177.00 176.29 3dd5 n ASN 177 N 0.93 -5.20 -4.09 2.53 3.02 -1.26 -4.32 115.26 106.86 3dd5 n ASN 177 Ca 0.03 0.42 -0.23 0.00 -0.03 0.00 0.00 54.58 54.78 3dd5 n ASN 177 Cb 0.39 -4.21 -0.15 0.00 -0.61 0.00 0.00 39.78 35.19 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 -2.59 1.29 0.11 3.10 5.36 -0.71 -4.90 117.98 119.63 3dd5 s PHE 178 Ca 0.00 -0.28 -0.31 0.00 -0.96 0.00 0.00 56.93 55.38 3dd5 s PHE 178 Cb 0.00 -0.85 -0.09 0.00 -0.34 0.00 0.00 43.02 41.74 3dd5 s PHE 178 CO 0.00 -0.06 1.70 -2.00 -1.46 0.00 0.00 175.22 173.40 3dd5 s GLU 179 N -0.17 4.18 0.23 10.12 -6.30 -1.26 -4.63 118.70 120.87 3dd5 s GLU 179 Ca 0.02 2.44 -0.06 0.00 -2.50 0.00 0.00 54.97 54.87 3dd5 s GLU 179 Cb -0.07 -3.49 0.22 0.00 0.00 0.00 0.00 34.13 30.79 3dd5 s GLU 179 CO 0.00 -0.75 1.82 1.79 0.02 0.00 0.00 175.26 178.14 3dd5 h THR 180 N 4.57 1.26 0.00 -1.70 1.35 -1.92 -2.15 112.91 114.33 3dd5 h THR 180 Ca -0.44 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3dd5 h THR 180 Cb 1.21 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3dd5 h THR 180 CO 0.93 0.31 0.00 0.77 -0.25 0.00 0.00 175.52 177.29 3dd5 h SER 181 N 1.17 0.00 -0.15 5.36 4.64 -2.02 -0.60 113.55 121.95 3dd5 h SER 181 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3dd5 h SER 181 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3dd5 h SER 181 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3dd5 n LYS 182 N -2.93 1.82 -4.80 4.77 5.02 -0.81 -4.89 118.16 116.35 3dd5 n LYS 182 Ca -0.01 -1.23 -0.28 0.00 -2.02 0.00 0.00 58.31 54.77 3dd5 n LYS 182 Cb 0.16 -1.43 -0.17 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.81 1.56 -0.10 -0.18 2.01 -0.23 -0.90 115.64 115.98 3dd5 s THR 183 Ca 0.34 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.65 3dd5 s THR 183 Cb 0.19 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.32 3dd5 s THR 183 CO 0.28 0.45 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.78 3dd5 s GLU 184 N 0.61 2.54 -0.22 4.92 2.56 -0.22 -4.94 118.70 123.95 3dd5 s GLU 184 Ca -0.15 -0.69 -0.03 0.00 0.00 0.00 0.00 54.97 54.10 3dd5 s GLU 184 Cb -0.16 -2.04 -0.00 0.00 2.00 0.00 0.00 34.13 33.92 3dd5 s GLU 184 CO 0.05 0.04 -0.06 0.08 -0.56 0.00 0.00 175.26 174.80 3dd5 s VAL 185 N 0.70 3.20 -0.37 3.70 1.01 -1.26 -1.11 120.40 126.27 3dd5 s VAL 185 Ca -0.12 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 3dd5 s VAL 185 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3dd5 s VAL 185 CO 0.03 0.43 0.25 -0.31 0.00 0.00 0.00 175.10 175.49 3dd5 s TYR 186 N 1.45 3.23 -0.24 5.22 1.51 0.47 -4.98 117.35 124.01 3dd5 s TYR 186 Ca 0.06 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 3dd5 s TYR 186 Cb -0.14 -2.50 0.07 0.00 -0.11 0.00 0.00 41.96 39.27 3dd5 s TYR 186 CO -0.04 -0.51 -0.02 0.00 -1.11 0.00 0.00 175.55 173.87 3dd5 s ASP 188 N 1.47 6.82 0.26 0.00 -1.08 -1.26 -4.94 116.67 117.92 3dd5 s ASP 188 Ca -0.02 1.96 0.25 0.00 -0.52 0.00 0.00 52.55 54.22 3dd5 s ASP 188 Cb -0.18 -2.58 0.88 0.00 -1.46 0.00 0.00 42.92 39.58 3dd5 s ASP 188 CO -0.09 -0.45 1.75 0.16 0.52 0.00 0.00 175.17 177.07 3dd5 h ILE 189 N 2.15 0.00 0.00 4.11 3.07 -2.00 -0.58 117.51 124.26 3dd5 h ILE 189 Ca -0.48 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.52 3dd5 h ILE 189 Cb 1.21 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 3dd5 h ILE 189 CO 0.62 0.00 -0.14 0.00 -1.05 0.00 0.00 178.15 177.58 3dd5 h ALA 190 N 2.37 0.92 -1.44 0.16 0.00 -2.03 -3.44 119.26 115.80 3dd5 h ALA 190 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3dd5 h ALA 190 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3dd5 h ALA 190 CO 0.00 0.00 1.13 0.34 0.00 0.00 0.00 179.25 180.72 3dd5 s ASP 191 N -5.37 5.97 0.05 0.00 3.68 -0.23 -4.89 116.67 115.89 3dd5 s ASP 191 Ca 0.08 -0.11 0.18 0.00 2.13 0.00 0.00 52.55 54.83 3dd5 s ASP 191 Cb 0.09 -2.55 0.77 0.00 -1.45 0.00 0.00 42.92 39.77 3dd5 s ASP 191 CO 0.66 -1.92 1.58 0.00 0.13 0.00 0.00 175.17 175.62 3dd5 n ALA 192 N 10.12 1.76 0.43 3.66 0.00 -1.26 -2.17 120.51 133.05 3dd5 n ALA 192 Ca 0.09 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3dd5 n ALA 192 Cb 0.50 -1.30 0.44 0.00 0.00 0.00 0.00 19.45 19.09 3dd5 n ALA 192 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3dd5 h VAL 193 N 0.00 0.00 -0.01 0.00 -1.51 -1.90 -2.67 116.25 110.16 3dd5 h VAL 193 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3dd5 h VAL 193 Cb 0.32 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3dd5 h VAL 193 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3dd5 n TYR 195 N -0.74 0.82 -1.19 0.00 4.02 -1.01 -4.10 117.16 114.96 3dd5 n TYR 195 Ca 0.22 -1.09 -0.07 0.00 -0.01 0.00 0.00 57.90 56.95 3dd5 n TYR 195 Cb 0.15 -0.33 -0.03 0.00 -0.02 0.00 0.00 39.34 39.11 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 -0.83 0.78 3.63 2.72 0.00 -1.25 -4.98 105.19 105.27 3dd5 n GLY 196 Ca 0.24 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3dd5 n GLY 196 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dd5 n THR 197 N -2.48 0.00 -3.91 2.61 5.66 -1.26 -4.99 114.28 109.92 3dd5 n THR 197 Ca -0.07 -2.43 -0.14 0.00 -3.05 0.00 0.00 64.05 58.36 3dd5 n THR 197 Cb 0.38 0.57 -0.15 0.00 -1.55 0.00 0.00 70.33 69.58 3dd5 n THR 197 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 3dd5 s LEU 198 N 0.00 1.68 0.01 1.09 0.05 -1.26 -4.28 118.68 115.97 3dd5 s LEU 198 Ca 0.05 -0.01 0.03 0.00 0.05 0.00 0.00 54.13 54.24 3dd5 s LEU 198 Cb 0.00 -0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 44.01 3dd5 s LEU 198 CO 0.03 -0.03 -0.02 -0.36 -0.55 0.00 0.00 176.35 175.42 3dd5 s PHE 199 N 0.36 3.00 -0.09 3.48 0.40 -1.26 -5.05 117.98 118.82 3dd5 s PHE 199 Ca -0.03 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 3dd5 s PHE 199 Cb -0.05 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.87 3dd5 s PHE 199 CO -0.01 0.43 -0.10 0.42 0.70 0.00 0.00 175.22 176.66 3dd5 s ILE 200 N -1.09 1.10 0.00 0.64 1.01 -1.26 -4.95 121.20 116.64 3dd5 s ILE 200 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3dd5 s ILE 200 Cb -0.11 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.31 3dd5 s ILE 200 CO 0.10 0.36 0.00 -0.11 0.00 0.00 0.00 174.94 175.30 3dd5 n LEU 201 N 4.29 0.00 -4.67 2.97 0.00 -1.26 -5.14 117.00 113.19 3dd5 n LEU 201 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.39 3dd5 n LEU 201 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.92 3dd5 n LEU 201 CO 0.22 0.00 0.80 -2.65 0.00 0.00 0.00 177.39 175.76 3dd5 n PRO 202 N 0.00 1.87 -3.50 1.96 -0.02 -1.26 -4.98 135.00 129.07 3dd5 n PRO 202 Ca 0.00 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 3dd5 n PRO 202 Cb 0.00 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 3dd5 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dd5 s ALA 203 N -1.11 -1.73 0.29 3.55 0.00 -1.26 -5.16 121.76 116.35 3dd5 s ALA 203 Ca 0.57 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 53.01 3dd5 s ALA 203 Cb -0.59 0.59 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 3dd5 s ALA 203 CO 0.61 -0.75 0.95 -1.01 0.00 0.00 0.00 175.76 175.56 3dd5 s HIS 204 N -3.35 3.81 -0.04 0.00 3.76 -1.26 -4.97 115.29 113.24 3dd5 s HIS 204 Ca 0.04 1.84 -0.31 0.00 -0.15 0.00 0.00 55.06 56.48 3dd5 s HIS 204 Cb -0.01 -2.96 -0.09 0.00 1.11 0.00 0.00 32.58 30.63 3dd5 s HIS 204 CO -0.09 0.29 1.99 0.34 -0.85 0.00 0.00 174.74 176.42 3dd5 n PHE 205 N 0.97 2.38 1.12 1.40 7.35 -1.26 -4.90 117.46 124.52 3dd5 n PHE 205 Ca 0.00 -0.24 0.13 0.00 -0.76 0.00 0.00 57.45 56.58 3dd5 n PHE 205 Cb 0.49 -2.76 0.42 0.00 0.35 0.00 0.00 39.48 37.98 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 7.93 0.47 -2.23 -2.13 4.77 -1.26 -4.51 117.00 120.03 3dd5 n LEU 206 Ca 0.22 0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 3dd5 n LEU 206 Cb 0.38 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3dd5 n LEU 206 CO 0.69 0.10 0.14 -1.22 -1.33 0.00 0.00 177.39 175.78 3dd5 n TYR 207 N -1.26 2.60 0.01 -1.77 4.01 -1.26 -4.82 117.16 114.67 3dd5 n TYR 207 Ca 0.09 -2.38 -0.12 0.00 -0.16 0.00 0.00 57.90 55.32 3dd5 n TYR 207 Cb 0.33 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 38.99 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 2.34 0.02 0.06 -0.72 5.75 -1.99 -2.44 115.11 118.13 3dd5 h GLN 208 Ca 0.27 -0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.52 3dd5 h GLN 208 Cb 1.38 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 3dd5 h GLN 208 CO 0.69 0.28 -1.11 1.79 -2.65 0.00 0.00 178.83 177.82 3dd5 h THR 209 N -0.24 1.60 -0.34 2.39 1.35 -1.98 0.17 112.91 115.85 3dd5 h THR 209 Ca 0.00 -3.19 -0.13 0.00 -0.55 0.00 0.00 66.41 62.54 3dd5 h THR 209 Cb 0.27 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 3dd5 h THR 209 CO 0.00 0.92 -0.32 0.44 -0.25 0.00 0.00 175.52 176.32 3dd5 h ASP 210 N 0.04 0.78 -0.13 5.36 3.32 -1.93 0.06 116.42 123.92 3dd5 h ASP 210 Ca -0.07 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 3dd5 h ASP 210 Cb 1.85 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.18 3dd5 h ASP 210 CO 0.17 1.04 -0.04 0.00 -1.72 0.00 0.00 179.24 178.68 3dd5 h ALA 211 N 1.01 0.18 -0.01 3.45 0.00 -1.32 0.13 119.26 122.70 3dd5 h ALA 211 Ca 0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 3dd5 h ALA 211 Cb 0.84 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3dd5 h ALA 211 CO 0.07 -0.05 -0.84 0.00 0.00 0.00 0.00 179.25 178.43 3dd5 h ALA 212 N 0.69 0.55 0.00 0.00 0.00 -0.90 -3.39 119.26 116.20 3dd5 h ALA 212 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3dd5 h ALA 212 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dd5 h ALA 212 CO 0.02 0.88 -0.14 0.28 0.00 0.00 0.00 179.25 180.28 3dd5 n VAL 213 N -3.70 1.27 -0.22 0.00 0.31 -0.00 -4.71 118.33 111.27 3dd5 n VAL 213 Ca -0.04 0.37 -0.09 0.00 -0.01 0.00 0.00 64.34 64.58 3dd5 n VAL 213 Cb 0.78 -1.70 0.03 0.00 -0.91 0.00 0.00 33.84 32.04 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 -0.15 0.84 -0.08 3.52 0.00 -1.38 -2.93 119.26 119.08 3dd5 h ALA 214 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3dd5 h ALA 214 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dd5 h ALA 214 CO 0.00 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.66 3dd5 h ALA 215 N 1.02 0.13 -0.34 0.00 0.00 -0.95 -2.34 119.26 116.77 3dd5 h ALA 215 Ca 0.19 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3dd5 h ALA 215 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3dd5 h ALA 215 CO 0.02 0.08 0.23 -1.35 0.00 0.00 0.00 179.25 178.23 3dd5 h PRO 216 N -0.22 0.27 -0.32 0.00 0.11 -1.75 0.16 132.00 130.25 3dd5 h PRO 216 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3dd5 h PRO 216 Cb 0.82 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3dd5 h PRO 216 CO 0.04 0.18 0.21 0.00 -0.21 0.00 0.00 178.00 178.22 3dd5 h ARG 217 N 0.27 0.41 0.31 1.05 2.47 -1.29 0.51 114.38 118.12 3dd5 h ARG 217 Ca 0.15 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3dd5 h ARG 217 Cb 0.25 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3dd5 h ARG 217 CO -0.03 0.27 -0.15 0.35 0.56 0.00 0.00 179.97 180.97 3dd5 h PHE 218 N 0.43 -0.39 -0.47 3.04 3.57 -0.97 -2.01 116.94 120.14 3dd5 h PHE 218 Ca 0.12 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.70 3dd5 h PHE 218 Cb -0.05 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 3dd5 h PHE 218 CO -0.06 -0.06 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.74 3dd5 h LEU 219 N -0.95 -0.56 -1.09 0.59 3.38 -0.71 -1.36 115.31 114.62 3dd5 h LEU 219 Ca -0.04 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.18 3dd5 h LEU 219 Cb 0.51 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 3dd5 h LEU 219 CO 0.07 -0.19 0.61 -0.61 0.09 0.00 0.00 178.44 178.41 3dd5 h GLN 220 N -0.05 0.97 -0.01 1.13 4.15 0.03 -1.83 115.11 119.51 3dd5 h GLN 220 Ca 0.23 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 3dd5 h GLN 220 Cb 0.39 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3dd5 h GLN 220 CO -0.51 0.64 -0.42 0.00 -1.93 0.00 0.00 178.83 176.62 3dd5 h ALA 221 N 1.52 1.29 0.03 3.38 0.00 -0.47 -3.17 119.26 121.83 3dd5 h ALA 221 Ca 0.44 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 3dd5 h ALA 221 Cb 0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3dd5 h ALA 221 CO -0.20 0.53 -1.55 0.00 0.00 0.00 0.00 179.25 178.03 3dd5 h ARG 222 N 0.02 0.06 0.18 0.00 2.47 -0.97 -3.40 114.38 112.74 3dd5 h ARG 222 Ca -0.00 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 3dd5 h ARG 222 Cb 0.75 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 3dd5 h ARG 222 CO 0.06 0.75 -0.09 0.82 0.56 0.00 0.00 179.97 182.07 3dd5 h ILE 223 N 0.02 0.90 0.00 2.04 2.04 -1.39 -3.48 117.51 117.64 3dd5 h ILE 223 Ca -0.23 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3dd5 h ILE 223 Cb 1.96 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 3dd5 h ILE 223 CO 0.10 0.20 0.00 0.61 0.00 0.00 0.00 178.15 179.07