#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 -3.42 4.04 0.02 -1.92 -3.42 113.55 108.84 3dd5 h SER 33 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3dd5 h SER 33 Cb 0.00 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.18 3dd5 h SER 33 CO 0.00 0.24 -0.83 -0.89 -1.14 0.00 0.00 176.83 174.21 3dd5 s THR 34 N -3.74 2.03 -0.12 -2.27 2.01 -1.26 -0.10 115.64 112.19 3dd5 s THR 34 Ca -0.00 -1.21 0.03 0.00 0.31 0.00 0.00 61.69 60.81 3dd5 s THR 34 Cb 0.11 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.64 3dd5 s THR 34 CO 0.64 0.27 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.50 3dd5 s ARG 35 N 1.24 2.73 -0.11 4.92 1.81 -1.26 -4.99 118.95 123.28 3dd5 s ARG 35 Ca -0.01 -0.75 0.19 0.00 -1.72 0.00 0.00 55.73 53.43 3dd5 s ARG 35 Cb -0.16 -2.20 0.43 0.00 -0.45 0.00 0.00 34.95 32.57 3dd5 s ARG 35 CO -0.09 0.01 1.19 0.09 -0.68 0.00 0.00 175.30 175.81 3dd5 n ASN 36 N 3.99 1.52 0.29 0.23 3.02 -1.25 -1.78 115.26 121.28 3dd5 n ASN 36 Ca -0.20 -2.84 0.15 0.00 -0.03 0.00 0.00 54.58 51.66 3dd5 n ASN 36 Cb 0.52 -0.40 0.88 0.00 -0.61 0.00 0.00 39.78 40.16 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 1.17 0.00 0.19 3.52 5.08 -1.76 -0.97 114.58 121.81 3dd5 h GLU 37 Ca -0.10 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.93 3dd5 h GLU 37 Cb 1.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.76 3dd5 h GLU 37 CO 0.10 0.03 -1.53 1.25 -1.00 0.00 0.00 179.01 177.87 3dd5 h LEU 38 N 0.00 0.63 -0.82 1.33 5.85 -1.89 -1.80 115.31 118.61 3dd5 h LEU 38 Ca -0.00 -0.77 0.14 0.00 0.84 0.00 0.00 57.88 58.09 3dd5 h LEU 38 Cb 0.09 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 3dd5 h LEU 38 CO 0.00 1.63 0.41 -0.33 -0.34 0.00 0.00 178.44 179.81 3dd5 h GLU 39 N 0.11 0.58 0.00 1.25 4.39 -1.56 -3.31 114.58 116.04 3dd5 h GLU 39 Ca -0.26 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 3dd5 h GLU 39 Cb 2.09 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 30.61 3dd5 h GLU 39 CO 0.22 0.38 -1.47 0.25 -1.16 0.00 0.00 179.01 177.23 3dd5 n THR 40 N -4.89 0.07 -0.64 1.13 -2.24 -0.88 -5.02 114.28 101.82 3dd5 n THR 40 Ca 0.16 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 3dd5 n THR 40 Cb 0.41 0.16 0.25 0.00 -2.10 0.00 0.00 70.33 69.05 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 -3.25 1.52 0.19 3.38 0.00 -0.68 -5.03 107.32 103.45 3dd5 s GLY 41 Ca -0.04 -0.36 0.07 0.00 0.00 0.00 0.00 44.72 44.40 3dd5 s GLY 41 CO 0.41 0.42 0.02 -0.45 0.00 0.00 0.00 173.10 173.49 3dd5 s SER 42 N -2.84 4.82 0.00 1.64 0.15 -1.26 -4.98 113.70 111.23 3dd5 s SER 42 Ca 0.68 -0.41 0.29 0.00 0.70 0.00 0.00 55.95 57.21 3dd5 s SER 42 Cb -0.21 -1.03 1.26 0.00 -1.71 0.00 0.00 66.02 64.32 3dd5 s SER 42 CO 0.62 0.07 1.93 -1.54 1.20 0.00 0.00 173.24 175.52 3dd5 n SER 43 N -0.28 0.03 -1.58 5.45 3.41 -1.26 -2.76 113.62 116.62 3dd5 n SER 43 Ca -0.09 0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.71 3dd5 n SER 43 Cb 0.56 -0.42 0.17 0.00 -0.26 0.00 0.00 64.21 64.26 3dd5 n SER 43 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dd5 n SER 44 N -1.45 3.34 -3.05 4.04 3.41 -1.26 -4.49 113.62 114.17 3dd5 n SER 44 Ca 0.08 -3.75 -0.15 0.00 -0.26 0.00 0.00 58.87 54.79 3dd5 n SER 44 Cb 0.32 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 3dd5 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 n ALA 45 N -1.09 2.00 -2.52 7.33 0.00 -1.11 -5.13 120.51 119.98 3dd5 n ALA 45 Ca 0.43 -3.14 -0.42 0.00 0.00 0.00 0.00 53.44 50.31 3dd5 n ALA 45 Cb 1.16 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 0.66 2.73 0.49 0.00 0.04 -1.26 -4.95 135.00 132.71 3dd5 s PRO 47 Ca 0.51 1.09 0.22 0.00 0.04 0.00 0.00 61.00 62.86 3dd5 s PRO 47 Cb -0.23 -1.96 1.26 0.00 0.04 0.00 0.00 34.50 33.61 3dd5 s PRO 47 CO 0.29 -1.27 2.04 -0.22 0.04 0.00 0.00 177.00 177.88 3dd5 h LYS 48 N -0.68 0.00 -3.22 4.56 3.64 -1.87 -3.40 116.57 115.60 3dd5 h LYS 48 Ca -0.44 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.68 3dd5 h LYS 48 Cb 1.22 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.71 3dd5 h LYS 48 CO 0.55 0.15 -0.61 0.08 -2.27 0.00 0.00 179.45 177.34 3dd5 s VAL 49 N -4.39 -0.10 -0.16 2.00 1.01 -1.07 -0.40 120.40 117.29 3dd5 s VAL 49 Ca -0.03 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 3dd5 s VAL 49 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 3dd5 s VAL 49 CO 0.63 0.09 -0.01 -0.63 0.00 0.00 0.00 175.10 175.18 3dd5 s ILE 50 N 1.46 4.12 -0.20 2.22 1.01 0.18 -1.61 121.20 128.39 3dd5 s ILE 50 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3dd5 s ILE 50 Cb -0.12 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.55 3dd5 s ILE 50 CO -0.06 0.49 -0.16 -0.47 0.00 0.00 0.00 174.94 174.74 3dd5 s TYR 51 N 0.34 2.87 -0.14 3.97 5.04 0.22 -0.68 117.35 128.97 3dd5 s TYR 51 Ca -0.02 -1.59 0.00 0.00 -2.44 0.00 0.00 57.07 53.02 3dd5 s TYR 51 Cb -0.14 -1.96 -0.01 0.00 0.35 0.00 0.00 41.96 40.20 3dd5 s TYR 51 CO 0.02 -0.77 -0.14 0.42 -1.34 0.00 0.00 175.55 173.74 3dd5 s ILE 52 N 1.31 2.88 -0.05 3.14 1.01 -0.67 -0.12 121.20 128.70 3dd5 s ILE 52 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3dd5 s ILE 52 Cb -0.14 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3dd5 s ILE 52 CO -0.10 0.52 -0.08 0.12 0.00 0.00 0.00 174.94 175.40 3dd5 s PHE 53 N 0.52 1.07 -0.18 3.97 5.36 -0.45 -0.91 117.98 127.36 3dd5 s PHE 53 Ca -0.09 -0.34 -0.06 0.00 -0.96 0.00 0.00 56.93 55.47 3dd5 s PHE 53 Cb -0.16 -0.83 -0.04 0.00 -0.34 0.00 0.00 43.02 41.66 3dd5 s PHE 53 CO 0.04 -0.21 0.03 0.00 -1.46 0.00 0.00 175.22 173.63 3dd5 s ALA 54 N 0.69 3.26 0.85 11.12 0.00 -1.05 -0.69 121.76 135.95 3dd5 s ALA 54 Ca -0.12 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 3dd5 s ALA 54 Cb -0.14 -1.83 0.12 0.00 0.00 0.00 0.00 23.12 21.27 3dd5 s ALA 54 CO 0.02 0.11 1.22 -0.98 0.00 0.00 0.00 175.76 176.12 3dd5 s ARG 55 N 0.51 1.49 0.66 0.00 1.70 -1.26 -2.18 118.95 119.87 3dd5 s ARG 55 Ca 0.01 -0.14 -0.08 0.00 -0.47 0.00 0.00 55.73 55.06 3dd5 s ARG 55 Cb -0.13 -1.94 0.02 0.00 -0.57 0.00 0.00 34.95 32.33 3dd5 s ARG 55 CO 0.01 -1.86 1.00 0.00 -1.08 0.00 0.00 175.30 173.37 3dd5 s ALA 56 N -3.66 3.12 0.59 7.88 0.00 -0.75 -1.40 121.76 127.54 3dd5 s ALA 56 Ca 0.66 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 3dd5 s ALA 56 Cb -0.08 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3dd5 s ALA 56 CO 0.50 -1.04 1.25 0.43 0.00 0.00 0.00 175.76 176.91 3dd5 n SER 57 N -2.81 2.07 0.00 0.00 7.64 -1.26 -2.76 113.62 116.50 3dd5 n SER 57 Ca 0.06 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.83 3dd5 n SER 57 Cb 0.58 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 -1.50 0.00 -2.16 0.44 -2.24 -0.12 -4.99 114.28 103.70 3dd5 n THR 58 Ca 0.13 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 3dd5 n THR 58 Cb 0.46 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.00 4.05 0.88 -0.78 2.02 -1.11 -5.01 118.70 118.74 3dd5 s GLU 59 Ca 0.00 2.03 -0.13 0.00 0.02 0.00 0.00 54.97 56.88 3dd5 s GLU 59 Cb 0.00 -2.76 0.15 0.00 0.10 0.00 0.00 34.13 31.61 3dd5 s GLU 59 CO 0.00 -0.38 1.24 -1.25 0.02 0.00 0.00 175.26 174.88 3dd5 s PRO 60 N -2.20 1.24 3.30 0.39 0.04 -1.26 -4.81 135.00 131.69 3dd5 s PRO 60 Ca 0.56 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3dd5 s PRO 60 Cb -0.35 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3dd5 s PRO 60 CO 0.45 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.89 3dd5 n GLY 61 N -3.51 1.04 0.08 0.56 0.00 -1.26 -2.45 105.19 99.65 3dd5 n GLY 61 Ca 0.12 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.11 0.79 -0.06 1.61 0.23 0.85 -4.70 115.26 110.88 3dd5 n ASN 62 Ca 0.00 -0.90 -0.04 0.00 -0.53 0.00 0.00 54.58 53.12 3dd5 n ASN 62 Cb 0.00 0.43 -0.12 0.00 -2.08 0.00 0.00 39.78 38.01 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 -0.35 1.29 0.00 -3.83 2.81 -0.17 -3.13 117.12 113.74 3dd5 n MET 63 Ca 0.01 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3dd5 n MET 63 Cb 0.07 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.95 -2.08 0.13 3.03 0.00 -1.02 -4.10 105.19 103.10 3dd5 n GLY 64 Ca -0.19 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 1.39 0.00 -0.61 -0.00 -1.26 -4.46 119.36 114.42 3dd5 n ILE 65 Ca 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 62.75 61.11 3dd5 n ILE 65 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 39.64 39.67 3dd5 n ILE 65 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3dd5 n SER 66 N -1.02 0.00 -0.18 7.28 3.41 -1.26 -4.94 113.62 116.91 3dd5 n SER 66 Ca 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.64 3dd5 n SER 66 Cb 0.59 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.66 0.77 7.33 0.00 -1.94 -3.20 119.26 123.89 3dd5 h ALA 67 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3dd5 h ALA 67 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3dd5 h ALA 67 CO 0.00 0.17 -0.37 0.78 0.00 0.00 0.00 179.25 179.83 3dd5 h GLY 68 N 0.70 -1.08 1.14 0.00 0.00 -1.91 -1.75 103.07 100.17 3dd5 h GLY 68 Ca 0.18 0.40 0.12 0.00 0.00 0.00 0.00 47.33 48.04 3dd5 h GLY 68 CO -0.03 -0.39 0.31 -2.55 0.00 0.00 0.00 176.54 173.88 3dd5 h PRO 69 N -1.15 0.01 0.33 4.80 0.11 -1.76 0.72 132.00 135.07 3dd5 h PRO 69 Ca -0.11 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 3dd5 h PRO 69 Cb 0.81 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3dd5 h PRO 69 CO 0.17 0.01 -0.16 0.82 -0.21 0.00 0.00 178.00 178.63 3dd5 h ILE 70 N 0.01 0.63 -0.62 4.15 2.04 -1.47 0.33 117.51 122.59 3dd5 h ILE 70 Ca 0.21 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3dd5 h ILE 70 Cb 0.81 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 3dd5 h ILE 70 CO -0.00 0.11 0.25 0.58 0.00 0.00 0.00 178.15 179.08 3dd5 h VAL 71 N -0.81 0.79 0.63 1.67 2.07 -1.12 -0.07 116.25 119.41 3dd5 h VAL 71 Ca -0.05 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3dd5 h VAL 71 Cb 0.52 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3dd5 h VAL 71 CO 0.08 0.08 -0.44 0.00 0.02 0.00 0.00 177.57 177.31 3dd5 h ALA 72 N 1.41 -1.20 -0.76 1.67 0.00 -0.77 0.86 119.26 120.48 3dd5 h ALA 72 Ca 0.31 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.17 3dd5 h ALA 72 Cb 0.36 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 3dd5 h ALA 72 CO -0.29 -1.18 0.23 -0.44 0.00 0.00 0.00 179.25 177.57 3dd5 h ASP 73 N -1.02 0.10 -0.52 0.00 3.32 -0.21 -1.84 116.42 116.26 3dd5 h ASP 73 Ca -0.08 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3dd5 h ASP 73 Cb 0.83 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3dd5 h ASP 73 CO 0.05 -0.01 -0.14 0.00 -1.72 0.00 0.00 179.24 177.42 3dd5 h ALA 74 N 1.61 0.76 -0.59 3.45 0.00 -0.73 -2.14 119.26 121.61 3dd5 h ALA 74 Ca 0.43 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3dd5 h ALA 74 Cb 0.73 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3dd5 h ALA 74 CO -0.49 0.67 0.19 -0.07 0.00 0.00 0.00 179.25 179.55 3dd5 h LEU 75 N 0.90 0.86 -0.87 0.00 3.38 -0.35 -2.28 115.31 116.95 3dd5 h LEU 75 Ca 0.13 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3dd5 h LEU 75 Cb 0.71 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3dd5 h LEU 75 CO 0.05 0.84 -0.26 -0.33 0.09 0.00 0.00 178.44 178.83 3dd5 h GLU 76 N 0.84 0.53 -0.21 1.13 5.08 -1.28 -1.18 114.58 119.50 3dd5 h GLU 76 Ca 0.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dd5 h GLU 76 Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3dd5 h GLU 76 CO -0.01 0.75 0.13 -0.09 -1.00 0.00 0.00 179.01 178.80 3dd5 h ARG 77 N 0.47 0.29 -0.14 2.33 2.43 -1.28 0.35 114.38 118.83 3dd5 h ARG 77 Ca 0.07 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 3dd5 h ARG 77 Cb 0.70 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3dd5 h ARG 77 CO 0.05 0.22 -0.42 0.82 -1.51 0.00 0.00 179.97 179.13 3dd5 h ILE 78 N 0.27 1.35 0.00 1.20 2.04 -1.24 -3.38 117.51 117.75 3dd5 h ILE 78 Ca 0.08 -1.71 -0.37 0.00 1.00 0.00 0.00 64.86 63.86 3dd5 h ILE 78 Cb 0.01 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 3dd5 h ILE 78 CO -0.01 0.52 -2.38 -1.22 0.00 0.00 0.00 178.15 175.05 3dd5 n TYR 79 N -4.27 0.00 0.00 1.37 4.02 -0.46 -5.09 117.16 112.73 3dd5 n TYR 79 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 3dd5 n TYR 79 Cb 0.55 -0.99 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 1.79 3.25 0.37 2.72 0.00 0.12 -4.70 105.19 108.74 3dd5 n GLY 80 Ca -0.33 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 1.79 0.00 4.61 0.00 -1.84 -0.81 119.26 123.01 3dd5 h ALA 81 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3dd5 h ALA 81 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3dd5 h ALA 81 CO 0.00 0.01 -0.25 -2.95 0.00 0.00 0.00 179.25 176.06 3dd5 h ASN 82 N 0.72 0.00 -0.26 0.00 -1.07 -1.92 -2.89 115.58 110.16 3dd5 h ASN 82 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.77 3dd5 h ASN 82 Cb 0.57 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.82 3dd5 h ASN 82 CO -0.17 0.25 0.00 -0.67 0.07 0.00 0.00 177.43 176.91 3dd5 n ASP 83 N -3.87 1.91 -3.87 6.14 -0.08 -0.32 -4.77 116.55 111.69 3dd5 n ASP 83 Ca -0.02 -1.84 -0.26 0.00 -1.51 0.00 0.00 54.79 51.17 3dd5 n ASP 83 Cb 0.34 -0.17 -0.17 0.00 2.34 0.00 0.00 41.12 43.46 3dd5 n ASP 83 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dd5 s VAL 84 N -1.66 0.86 -0.37 5.18 1.01 -1.09 -2.59 120.40 121.75 3dd5 s VAL 84 Ca 0.30 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 3dd5 s VAL 84 Cb 0.16 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3dd5 s VAL 84 CO 0.23 0.29 0.46 0.26 0.00 0.00 0.00 175.10 176.35 3dd5 s TRP 85 N 1.77 3.17 -0.09 5.22 0.52 -0.63 -4.92 118.94 123.98 3dd5 s TRP 85 Ca 0.04 -0.04 -0.14 0.00 0.02 0.00 0.00 56.10 55.99 3dd5 s TRP 85 Cb -0.13 -2.89 -0.05 0.00 -1.15 0.00 0.00 33.47 29.25 3dd5 s TRP 85 CO -0.07 -0.58 0.33 0.08 0.02 0.00 0.00 176.95 176.73 3dd5 s VAL 86 N 2.27 5.22 -0.23 4.03 1.01 -1.26 0.72 120.40 132.16 3dd5 s VAL 86 Ca 0.15 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 3dd5 s VAL 86 Cb -0.16 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.69 3dd5 s VAL 86 CO 0.13 0.48 0.31 -1.58 0.00 0.00 0.00 175.10 174.44 3dd5 s GLN 87 N -0.27 0.28 0.74 2.72 2.00 0.82 -1.91 119.66 124.05 3dd5 s GLN 87 Ca 0.20 0.35 -0.11 0.00 -2.00 0.00 0.00 55.36 53.80 3dd5 s GLN 87 Cb -0.14 -0.81 0.04 0.00 0.80 0.00 0.00 33.01 32.89 3dd5 s GLN 87 CO 0.08 -0.67 1.08 0.20 -0.50 0.00 0.00 175.29 175.47 3dd5 s GLY 88 N 2.44 1.65 -0.60 2.59 0.00 -0.73 -1.33 107.32 111.33 3dd5 s GLY 88 Ca 0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.59 3dd5 s GLY 88 CO -0.15 0.33 0.79 0.14 0.00 0.00 0.00 173.10 174.21 3dd5 s VAL 89 N -3.08 4.64 0.00 1.40 1.01 0.14 -4.78 120.40 119.71 3dd5 s VAL 89 Ca 0.59 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3dd5 s VAL 89 Cb -0.14 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.70 3dd5 s VAL 89 CO 0.55 -1.21 0.00 0.61 0.00 0.00 0.00 175.10 175.05 3dd5 n GLY 90 N 5.28 0.67 7.00 4.51 0.00 -1.26 -4.74 105.19 116.65 3dd5 n GLY 90 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.87 0.00 -0.02 0.00 -1.26 -1.36 105.19 109.42 3dd5 n GLY 91 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3dd5 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dd5 n PRO 92 N 10.91 0.03 -2.96 1.61 -0.04 -1.26 -4.33 135.00 138.95 3dd5 n PRO 92 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 3dd5 n PRO 92 Cb 0.00 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 3dd5 n PRO 92 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3dd5 s TYR 93 N -2.00 3.04 -0.90 0.54 5.04 -0.46 -4.22 117.35 118.39 3dd5 s TYR 93 Ca 0.01 -1.17 0.27 0.00 -2.44 0.00 0.00 57.07 53.73 3dd5 s TYR 93 Cb 0.00 -4.22 0.91 0.00 0.35 0.00 0.00 41.96 39.00 3dd5 s TYR 93 CO 0.00 -1.47 1.73 1.28 -1.34 0.00 0.00 175.55 175.76 3dd5 n LEU 94 N 6.62 0.36 -3.97 6.97 4.77 -1.26 -4.78 117.00 125.71 3dd5 n LEU 94 Ca 0.12 0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 56.18 3dd5 n LEU 94 Cb 0.47 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3dd5 n LEU 94 CO 0.54 -0.03 -0.22 0.00 -1.33 0.00 0.00 177.39 176.35 3dd5 n ALA 95 N -1.60 -2.25 -2.79 -1.18 0.00 -1.26 -4.73 120.51 106.70 3dd5 n ALA 95 Ca 0.06 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 3dd5 n ALA 95 Cb 0.37 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 -4.00 6.38 0.21 0.00 1.47 -1.26 -0.95 116.67 118.53 3dd5 s ASP 96 Ca 0.21 0.37 -0.09 0.00 1.18 0.00 0.00 52.55 54.22 3dd5 s ASP 96 Cb -0.09 -2.00 0.21 0.00 -0.34 0.00 0.00 42.92 40.70 3dd5 s ASP 96 CO 0.92 -0.03 1.85 -0.07 0.68 0.00 0.00 175.17 178.52 3dd5 h LEU 97 N 2.02 0.77 -2.32 2.11 3.38 -1.96 -3.06 115.31 116.25 3dd5 h LEU 97 Ca -0.48 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3dd5 h LEU 97 Cb 1.19 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3dd5 h LEU 97 CO 0.68 0.53 -0.03 0.00 0.09 0.00 0.00 178.44 179.71 3dd5 h ALA 98 N 1.32 1.12 0.00 1.53 0.00 -2.02 -2.79 119.26 118.42 3dd5 h ALA 98 Ca 0.30 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3dd5 h ALA 98 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dd5 h ALA 98 CO -0.11 0.04 -0.49 0.77 0.00 0.00 0.00 179.25 179.46 3dd5 h SER 99 N 0.00 0.00 -0.92 0.00 0.02 -1.90 -3.03 113.55 107.72 3dd5 h SER 99 Ca -0.00 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 61.19 3dd5 h SER 99 Cb 0.20 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 3dd5 h SER 99 CO 0.00 0.49 0.63 0.78 -1.14 0.00 0.00 176.83 177.59 3dd5 h ASN 100 N 0.00 0.25 1.16 3.07 2.35 -1.60 0.09 115.58 120.90 3dd5 h ASN 100 Ca -0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3dd5 h ASN 100 Cb 0.89 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3dd5 h ASN 100 CO 0.06 0.09 0.00 0.49 -1.65 0.00 0.00 177.43 176.42 3dd5 n PHE 101 N -4.43 0.34 -0.65 1.19 3.72 -1.14 -4.29 117.46 112.20 3dd5 n PHE 101 Ca 0.20 0.10 -0.29 0.00 -0.05 0.00 0.00 57.45 57.41 3dd5 n PHE 101 Cb 0.84 -0.66 0.25 0.00 -0.94 0.00 0.00 39.48 38.96 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 -3.55 0.58 0.36 4.37 1.43 -0.00 -4.88 118.68 116.98 3dd5 s LEU 102 Ca 0.13 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.57 3dd5 s LEU 102 Cb 0.16 -3.15 0.67 0.00 0.03 0.00 0.00 46.19 43.91 3dd5 s LEU 102 CO 0.55 -4.26 1.92 -0.65 0.23 0.00 0.00 176.35 174.15 3dd5 h PRO 103 N -2.66 0.53 -0.00 1.29 0.11 -1.89 -2.64 132.00 126.74 3dd5 h PRO 103 Ca -0.58 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.44 3dd5 h PRO 103 Cb 1.34 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dd5 h PRO 103 CO 0.48 0.50 -0.47 -0.25 -0.21 0.00 0.00 178.00 178.05 3dd5 n ASP 104 N -4.33 0.58 0.00 -2.05 10.43 -1.26 -4.94 116.55 114.99 3dd5 n ASP 104 Ca 0.02 -0.35 0.00 0.00 2.57 0.00 0.00 54.79 57.03 3dd5 n ASP 104 Cb 0.20 0.25 0.00 0.00 1.84 0.00 0.00 41.12 43.40 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 1.48 0.71 3.59 0.44 0.00 -1.00 -4.89 105.19 105.52 3dd5 n GLY 105 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.33 0.00 0.53 2.61 -1.32 -1.08 -3.88 115.64 110.17 3dd5 s THR 106 Ca 0.00 -0.16 -0.22 0.00 -1.21 0.00 0.00 61.69 60.10 3dd5 s THR 106 Cb 0.00 -1.31 -0.06 0.00 -1.51 0.00 0.00 72.50 69.62 3dd5 s THR 106 CO 0.00 0.00 1.22 -1.54 -2.21 0.00 0.00 174.62 172.09 3dd5 n SER 107 N -0.29 2.09 0.25 8.08 3.41 -1.26 -4.87 113.62 121.04 3dd5 n SER 107 Ca -0.06 0.96 0.16 0.00 -0.26 0.00 0.00 58.87 59.66 3dd5 n SER 107 Cb 0.61 -1.50 0.55 0.00 -0.26 0.00 0.00 64.21 63.61 3dd5 n SER 107 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dd5 h SER 108 N 1.30 0.00 -0.32 4.04 4.64 -1.99 -3.03 113.55 118.20 3dd5 h SER 108 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 3dd5 h SER 108 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3dd5 h SER 108 CO 0.56 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 176.11 3dd5 h ALA 109 N 2.03 0.48 -0.04 5.18 0.00 -1.90 -2.13 119.26 122.86 3dd5 h ALA 109 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dd5 h ALA 109 Cb 0.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dd5 h ALA 109 CO 0.00 0.59 0.02 0.00 0.00 0.00 0.00 179.25 179.86 3dd5 h ALA 110 N 0.71 0.06 -0.76 0.00 0.00 -1.70 0.25 119.26 117.81 3dd5 h ALA 110 Ca 0.04 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.05 3dd5 h ALA 110 Cb 1.01 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 3dd5 h ALA 110 CO 0.10 -0.37 0.10 0.82 0.00 0.00 0.00 179.25 179.90 3dd5 h ILE 111 N -0.07 0.41 0.00 0.00 2.04 -1.59 0.16 117.51 118.46 3dd5 h ILE 111 Ca 0.02 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 3dd5 h ILE 111 Cb 0.14 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3dd5 h ILE 111 CO -0.00 0.03 -0.58 0.78 0.00 0.00 0.00 178.15 178.38 3dd5 h ASN 112 N 0.18 0.00 0.08 1.72 -0.26 -0.58 0.23 115.58 116.95 3dd5 h ASN 112 Ca 0.43 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.16 3dd5 h ASN 112 Cb 0.77 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 3dd5 h ASN 112 CO -0.60 0.58 -0.04 -0.08 -1.06 0.00 0.00 177.43 176.23 3dd5 h GLU 113 N 0.00 -0.10 -0.52 0.81 4.57 -0.02 0.68 114.58 120.00 3dd5 h GLU 113 Ca -0.01 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3dd5 h GLU 113 Cb 1.13 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.64 3dd5 h GLU 113 CO 0.08 0.26 -0.17 0.00 -1.18 0.00 0.00 179.01 177.99 3dd5 h ALA 114 N 0.38 0.26 -0.91 2.92 0.00 -0.51 0.48 119.26 121.90 3dd5 h ALA 114 Ca -0.01 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3dd5 h ALA 114 Cb 0.41 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3dd5 h ALA 114 CO 0.02 -0.49 0.57 -0.09 0.00 0.00 0.00 179.25 179.26 3dd5 h ARG 115 N -0.05 1.02 -0.83 0.00 2.43 -0.97 -1.63 114.38 114.36 3dd5 h ARG 115 Ca 0.25 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3dd5 h ARG 115 Cb 0.43 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3dd5 h ARG 115 CO -0.56 0.68 0.55 -0.09 -1.51 0.00 0.00 179.97 179.03 3dd5 h ARG 116 N 1.06 1.07 -0.07 0.20 2.43 0.13 -2.08 114.38 117.11 3dd5 h ARG 116 Ca 0.39 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 59.25 3dd5 h ARG 116 Cb 0.14 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3dd5 h ARG 116 CO -0.16 0.71 -0.91 -0.07 -1.51 0.00 0.00 179.97 178.02 3dd5 h LEU 117 N 1.10 0.91 -0.60 3.80 3.38 -0.68 -1.11 115.31 122.11 3dd5 h LEU 117 Ca 0.31 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.62 3dd5 h LEU 117 Cb -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 3dd5 h LEU 117 CO -0.08 1.46 0.39 -0.26 0.09 0.00 0.00 178.44 180.05 3dd5 h PHE 118 N 0.46 0.75 0.18 1.13 0.04 -1.25 -0.23 116.94 118.02 3dd5 h PHE 118 Ca -0.09 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3dd5 h PHE 118 Cb 1.55 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 3dd5 h PHE 118 CO 0.09 0.48 -0.13 1.15 -0.60 0.00 0.00 178.31 179.30 3dd5 h THR 119 N 0.81 0.72 -0.81 -1.55 2.02 -1.33 -2.56 112.91 110.21 3dd5 h THR 119 Ca 0.22 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.53 3dd5 h THR 119 Cb -0.09 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 3dd5 h THR 119 CO -0.05 0.00 0.42 0.25 0.37 0.00 0.00 175.52 176.51 3dd5 h LEU 120 N -0.31 0.52 -2.05 2.58 6.46 -0.75 0.10 115.31 121.85 3dd5 h LEU 120 Ca -0.01 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3dd5 h LEU 120 Cb 0.27 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3dd5 h LEU 120 CO 0.00 0.25 -0.04 0.00 -0.62 0.00 0.00 178.44 178.03 3dd5 h ALA 121 N 1.52 1.78 0.23 1.25 0.00 -0.74 0.17 119.26 123.47 3dd5 h ALA 121 Ca 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3dd5 h ALA 121 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3dd5 h ALA 121 CO -0.33 0.05 -0.11 -0.97 0.00 0.00 0.00 179.25 177.89 3dd5 h ASN 122 N 0.00 -0.27 -0.82 0.00 -1.24 -0.43 -2.54 115.58 110.29 3dd5 h ASN 122 Ca -0.00 -0.08 -0.04 0.00 0.71 0.00 0.00 56.30 56.89 3dd5 h ASN 122 Cb 0.08 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 3dd5 h ASN 122 CO 0.01 0.22 0.35 0.71 -1.29 0.00 0.00 177.43 177.43 3dd5 h THR 123 N -1.05 1.26 0.70 -3.57 1.35 -1.08 -0.98 112.91 109.53 3dd5 h THR 123 Ca -0.03 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.00 3dd5 h THR 123 Cb 0.33 0.26 0.01 0.00 -1.73 0.00 0.00 68.15 67.02 3dd5 h THR 123 CO 0.05 0.33 -0.33 0.50 -0.25 0.00 0.00 175.52 175.82 3dd5 h LYS 124 N 1.18 -0.90 -2.78 4.72 1.63 -0.83 -3.40 116.57 116.18 3dd5 h LYS 124 Ca 0.28 0.06 -0.60 0.00 -0.85 0.00 0.00 60.65 59.54 3dd5 h LYS 124 Cb 0.18 0.20 -0.40 0.00 -0.60 0.00 0.00 32.23 31.62 3dd5 h LYS 124 CO -0.03 -0.58 -0.79 0.00 -3.45 0.00 0.00 179.45 174.59 3dd5 h PRO 126 N 6.79 0.00 0.00 0.00 0.13 -1.33 -3.21 132.00 134.38 3dd5 h PRO 126 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3dd5 h PRO 126 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3dd5 h PRO 126 CO 0.38 0.00 -1.32 0.09 -0.23 0.00 0.00 178.00 176.93 3dd5 n ASN 127 N -2.77 0.64 -4.79 1.44 3.02 -1.26 -4.96 115.26 106.58 3dd5 n ASN 127 Ca 0.00 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.60 3dd5 n ASN 127 Cb 0.21 1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 40.65 3dd5 n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dd5 s ALA 128 N -3.18 2.89 -0.28 5.41 0.00 -1.21 -4.98 121.76 120.40 3dd5 s ALA 128 Ca 0.03 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 3dd5 s ALA 128 Cb 0.15 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 20.01 3dd5 s ALA 128 CO 0.87 -0.37 1.07 0.00 0.00 0.00 0.00 175.76 177.33 3dd5 s ALA 129 N -1.87 3.57 -0.07 0.00 0.00 0.46 -4.81 121.76 119.03 3dd5 s ALA 129 Ca 0.66 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 3dd5 s ALA 129 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3dd5 s ALA 129 CO 0.23 -1.32 0.58 0.42 0.00 0.00 0.00 175.76 175.67 3dd5 s ILE 130 N 3.49 5.08 -0.01 0.00 1.01 -0.99 0.49 121.20 130.27 3dd5 s ILE 130 Ca 0.45 1.20 0.01 0.00 0.00 0.00 0.00 60.65 62.31 3dd5 s ILE 130 Cb -0.13 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3dd5 s ILE 130 CO 0.12 0.32 -0.04 0.68 0.00 0.00 0.00 174.94 176.01 3dd5 s VAL 131 N 0.51 0.39 0.13 2.92 -7.23 0.14 -0.03 120.40 117.23 3dd5 s VAL 131 Ca 0.31 -0.17 0.06 0.00 -1.81 0.00 0.00 61.98 60.37 3dd5 s VAL 131 Cb -0.17 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 3dd5 s VAL 131 CO 0.15 0.13 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.99 3dd5 s SER 132 N 0.12 2.06 0.29 4.85 1.04 -0.91 -1.66 113.70 119.48 3dd5 s SER 132 Ca -0.01 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.60 3dd5 s SER 132 Cb -0.05 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 3dd5 s SER 132 CO -0.00 -0.16 0.18 -0.83 0.98 0.00 0.00 173.24 173.41 3dd5 s GLY 133 N -2.60 1.98 -0.24 7.32 0.00 -0.08 -1.74 107.32 111.95 3dd5 s GLY 133 Ca 0.11 -1.82 -0.27 0.00 0.00 0.00 0.00 44.72 42.75 3dd5 s GLY 133 CO 0.03 -1.52 1.06 -0.32 0.00 0.00 0.00 173.10 172.36 3dd5 s GLY 134 N -3.32 -0.14 -0.20 0.20 0.00 -1.04 -2.52 107.32 100.29 3dd5 s GLY 134 Ca 0.38 2.55 0.01 0.00 0.00 0.00 0.00 44.72 47.65 3dd5 s GLY 134 CO 0.19 1.58 -0.12 -0.47 0.00 0.00 0.00 173.10 174.27 3dd5 s TYR 135 N -0.23 2.60 0.00 1.90 5.04 -0.93 -0.19 117.35 125.53 3dd5 s TYR 135 Ca 0.02 -1.70 0.00 0.00 -2.44 0.00 0.00 57.07 52.95 3dd5 s TYR 135 Cb -0.03 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.55 3dd5 s TYR 135 CO -0.05 -0.77 0.00 0.45 -1.34 0.00 0.00 175.55 173.84 3dd5 n SER 136 N 4.64 0.00 0.25 4.32 2.88 0.31 -1.81 113.62 124.20 3dd5 n SER 136 Ca -0.16 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.47 3dd5 n SER 136 Cb 0.47 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.55 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 0.00 0.00 -1.46 4.15 -1.86 -2.33 115.11 113.61 3dd5 h GLN 137 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dd5 h GLN 137 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3dd5 h GLN 137 CO 0.00 0.12 0.00 0.41 -1.93 0.00 0.00 178.83 177.43 3dd5 n GLY 138 N -1.05 -1.45 0.11 2.39 0.00 -0.49 -2.22 105.19 102.48 3dd5 n GLY 138 Ca -0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 3dd5 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dd5 h THR 139 N 0.00 1.54 0.00 2.61 1.03 -1.57 -1.43 112.91 115.08 3dd5 h THR 139 Ca 0.00 -2.74 -0.09 0.00 -0.01 0.00 0.00 66.41 63.56 3dd5 h THR 139 Cb 0.51 2.52 -0.01 0.00 -1.07 0.00 0.00 68.15 70.09 3dd5 h THR 139 CO 0.00 0.79 -0.45 0.00 -0.01 0.00 0.00 175.52 175.85 3dd5 h ALA 140 N 1.03 0.83 -0.17 0.00 0.00 -1.48 -1.90 119.26 117.57 3dd5 h ALA 140 Ca -0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3dd5 h ALA 140 Cb 1.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3dd5 h ALA 140 CO 0.13 0.56 -0.41 0.28 0.00 0.00 0.00 179.25 179.81 3dd5 h VAL 141 N 0.00 1.34 -0.20 0.00 2.07 -1.25 0.11 116.25 118.32 3dd5 h VAL 141 Ca -0.00 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 3dd5 h VAL 141 Cb 1.13 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3dd5 h VAL 141 CO 0.06 0.51 -0.03 0.24 0.02 0.00 0.00 177.57 178.37 3dd5 h MET 142 N 0.23 0.38 -0.53 1.57 2.86 -1.27 0.83 114.93 119.00 3dd5 h MET 142 Ca -0.00 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 3dd5 h MET 142 Cb 1.02 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3dd5 h MET 142 CO 0.09 0.61 -0.12 0.00 1.06 0.00 0.00 176.91 178.55 3dd5 h ALA 143 N 0.76 0.78 0.60 6.32 0.00 -1.38 0.26 119.26 126.60 3dd5 h ALA 143 Ca 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3dd5 h ALA 143 Cb 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3dd5 h ALA 143 CO 0.02 0.67 -0.34 0.78 0.00 0.00 0.00 179.25 180.38 3dd5 h GLY 144 N 0.94 -0.93 0.73 0.00 0.00 -0.77 -3.05 103.07 99.99 3dd5 h GLY 144 Ca 0.14 0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 3dd5 h GLY 144 CO 0.05 -0.34 -0.24 1.48 0.00 0.00 0.00 176.54 177.49 3dd5 h SER 145 N -0.87 0.41 -0.43 0.19 4.64 -0.70 -3.28 113.55 113.51 3dd5 h SER 145 Ca -0.08 -0.56 0.04 0.00 -0.47 0.00 0.00 61.79 60.72 3dd5 h SER 145 Cb 0.69 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.62 3dd5 h SER 145 CO 0.10 0.90 0.19 0.40 -0.87 0.00 0.00 176.83 177.55 3dd5 h ILE 146 N -0.06 0.93 0.00 0.95 2.04 -1.06 -2.05 117.51 118.27 3dd5 h ILE 146 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3dd5 h ILE 146 Cb 0.83 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3dd5 h ILE 146 CO 0.05 0.07 0.03 0.77 0.00 0.00 0.00 178.15 179.08 3dd5 h SER 147 N 0.39 0.00 0.76 1.72 4.64 -1.59 0.11 113.55 119.58 3dd5 h SER 147 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3dd5 h SER 147 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3dd5 h SER 147 CO -0.16 0.00 -1.17 0.61 -0.87 0.00 0.00 176.83 175.24 3dd5 n GLY 148 N -1.21 -1.36 3.76 -0.77 0.00 -0.78 -4.83 105.19 100.01 3dd5 n GLY 148 Ca -0.02 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -5.04 3.66 1.07 0.99 1.43 0.38 -5.01 118.68 116.15 3dd5 s LEU 149 Ca -0.01 2.25 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 3dd5 s LEU 149 Cb 0.11 -4.59 0.23 0.00 0.03 0.00 0.00 46.19 41.97 3dd5 s LEU 149 CO 0.81 -1.45 1.08 -0.94 0.23 0.00 0.00 176.35 176.08 3dd5 s SER 150 N -1.79 1.99 0.10 2.29 1.04 -1.26 -4.72 113.70 111.35 3dd5 s SER 150 Ca 0.74 1.19 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 3dd5 s SER 150 Cb -0.26 -1.86 -0.06 0.00 0.10 0.00 0.00 66.02 63.94 3dd5 s SER 150 CO 0.31 -3.52 1.48 0.74 0.98 0.00 0.00 173.24 173.23 3dd5 h THR 151 N -2.16 1.29 -0.42 2.02 2.02 -1.98 0.23 112.91 113.90 3dd5 h THR 151 Ca -0.56 -1.22 0.07 0.00 0.77 0.00 0.00 66.41 65.47 3dd5 h THR 151 Cb 1.33 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 69.10 3dd5 h THR 151 CO 0.55 0.39 0.05 0.00 0.37 0.00 0.00 175.52 176.88 3dd5 h THR 152 N 0.41 0.73 -0.03 3.16 1.03 -2.00 -1.90 112.91 114.32 3dd5 h THR 152 Ca 0.07 -0.06 -0.07 0.00 -0.01 0.00 0.00 66.41 66.35 3dd5 h THR 152 Cb 0.65 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 3dd5 h THR 152 CO 0.04 0.03 -0.23 0.40 -0.01 0.00 0.00 175.52 175.75 3dd5 h ILE 153 N 0.16 1.48 -0.73 0.00 2.04 -1.90 -3.08 117.51 115.48 3dd5 h ILE 153 Ca 0.21 -1.76 0.21 0.00 1.00 0.00 0.00 64.86 64.52 3dd5 h ILE 153 Cb 0.28 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 3dd5 h ILE 153 CO -0.30 0.49 0.52 0.11 0.00 0.00 0.00 178.15 178.97 3dd5 h LYS 154 N -0.37 0.04 0.00 2.37 1.57 -0.89 0.38 116.57 119.67 3dd5 h LYS 154 Ca -0.02 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3dd5 h LYS 154 Cb 0.92 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3dd5 h LYS 154 CO 0.05 0.02 -0.35 -0.91 -0.57 0.00 0.00 179.45 177.70 3dd5 h ASN 155 N 0.04 0.00 0.79 0.86 2.35 -1.25 -2.88 115.58 115.47 3dd5 h ASN 155 Ca 0.35 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.99 3dd5 h ASN 155 Cb 1.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 3dd5 h ASN 155 CO -0.02 0.35 -0.53 -0.61 -1.65 0.00 0.00 177.43 174.97 3dd5 h GLN 156 N 0.00 0.00 -6.60 0.81 4.15 -0.90 -3.43 115.11 109.14 3dd5 h GLN 156 Ca -0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.85 3dd5 h GLN 156 Cb 1.05 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 3dd5 h GLN 156 CO 0.05 0.53 1.02 0.42 -1.93 0.00 0.00 178.83 178.92 3dd5 s ILE 157 N -3.52 4.01 -0.02 2.39 1.01 -1.09 -2.35 121.20 121.64 3dd5 s ILE 157 Ca -0.00 1.02 0.08 0.00 0.00 0.00 0.00 60.65 61.75 3dd5 s ILE 157 Cb 0.11 -4.37 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 3dd5 s ILE 157 CO 0.73 -0.88 0.75 0.11 0.00 0.00 0.00 174.94 175.66 3dd5 h LYS 158 N 10.17 0.05 -2.12 2.79 1.79 -0.72 -3.47 116.57 125.06 3dd5 h LYS 158 Ca -0.26 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.07 3dd5 h LYS 158 Cb 1.09 0.03 -0.20 0.00 -1.58 0.00 0.00 32.23 31.57 3dd5 h LYS 158 CO 1.11 0.70 0.10 0.20 -1.08 0.00 0.00 179.45 180.48 3dd5 s GLY 159 N -5.07 -0.52 -0.07 3.86 0.00 -1.24 -4.70 107.32 99.57 3dd5 s GLY 159 Ca -0.06 1.55 -0.02 0.00 0.00 0.00 0.00 44.72 46.18 3dd5 s GLY 159 CO 0.82 1.25 0.06 0.14 0.00 0.00 0.00 173.10 175.36 3dd5 s VAL 160 N -0.43 -0.01 -0.13 1.40 1.01 0.27 -2.14 120.40 120.39 3dd5 s VAL 160 Ca -0.06 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 3dd5 s VAL 160 Cb -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3dd5 s VAL 160 CO 0.05 0.10 0.10 0.68 0.00 0.00 0.00 175.10 176.02 3dd5 s VAL 161 N 2.12 5.12 -0.16 2.92 -7.23 -0.71 -1.78 120.40 120.68 3dd5 s VAL 161 Ca 0.04 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.28 3dd5 s VAL 161 Cb -0.13 -3.23 0.04 0.00 0.56 0.00 0.00 36.38 33.62 3dd5 s VAL 161 CO -0.05 0.58 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.50 3dd5 s LEU 162 N -0.70 1.64 -0.30 1.32 1.43 -0.57 -2.48 118.68 119.02 3dd5 s LEU 162 Ca 0.12 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 3dd5 s LEU 162 Cb -0.12 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 3dd5 s LEU 162 CO 0.03 -0.17 0.21 -0.36 0.23 0.00 0.00 176.35 176.29 3dd5 s PHE 163 N 1.61 3.22 -0.72 0.29 0.08 0.73 -0.47 117.98 122.73 3dd5 s PHE 163 Ca 0.01 -0.00 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 3dd5 s PHE 163 Cb -0.15 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.84 3dd5 s PHE 163 CO -0.08 -0.24 0.63 0.41 -0.10 0.00 0.00 175.22 175.85 3dd5 n GLY 164 N 5.07 -0.63 3.62 4.36 0.00 0.77 -0.53 105.19 117.85 3dd5 n GLY 164 Ca -0.13 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.24 1.88 -1.24 1.61 5.04 -1.26 -3.25 117.35 116.89 3dd5 s TYR 165 Ca 0.28 0.49 0.26 0.00 -2.44 0.00 0.00 57.07 55.65 3dd5 s TYR 165 Cb -0.04 -4.04 1.20 0.00 0.35 0.00 0.00 41.96 39.44 3dd5 s TYR 165 CO 0.53 -3.24 1.85 0.25 -1.34 0.00 0.00 175.55 173.59 3dd5 n THR 166 N 6.74 0.21 -1.80 4.34 -2.24 -1.26 -2.69 114.28 117.59 3dd5 n THR 166 Ca 0.21 0.05 0.06 0.00 -2.27 0.00 0.00 64.05 62.10 3dd5 n THR 166 Cb 0.45 -0.62 0.13 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.38 0.98 -0.04 -0.78 4.76 -1.26 -4.82 118.16 115.62 3dd5 n LYS 167 Ca 0.09 -2.65 -0.09 0.00 -2.87 0.00 0.00 58.31 52.80 3dd5 n LYS 167 Cb 0.25 -1.07 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.77 -0.13 -0.05 4.39 -0.73 -1.77 0.61 115.58 118.67 3dd5 h ASN 168 Ca -0.06 0.05 -0.18 0.00 1.87 0.00 0.00 56.30 57.97 3dd5 h ASN 168 Cb 1.28 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.96 3dd5 h ASN 168 CO 0.03 -0.04 -0.63 0.25 -0.37 0.00 0.00 177.43 176.67 3dd5 h LEU 169 N 0.03 0.76 -1.05 0.34 5.85 -1.85 -0.25 115.31 119.14 3dd5 h LEU 169 Ca 0.09 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.27 3dd5 h LEU 169 Cb 0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3dd5 h LEU 169 CO -0.17 1.20 -0.44 1.56 -0.34 0.00 0.00 178.44 180.25 3dd5 h GLN 170 N 0.49 0.08 -0.23 1.25 7.50 -1.85 -3.24 115.11 119.10 3dd5 h GLN 170 Ca -0.01 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.10 3dd5 h GLN 170 Cb 1.21 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.74 3dd5 h GLN 170 CO 0.12 0.50 0.00 0.09 -1.50 0.00 0.00 178.83 178.05 3dd5 n ASN 171 N -4.01 3.29 -4.20 1.46 3.02 0.21 -4.99 115.26 110.04 3dd5 n ASN 171 Ca -0.02 -2.66 -0.31 0.00 -0.03 0.00 0.00 54.58 51.56 3dd5 n ASN 171 Cb 0.47 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.33 -1.22 -0.30 3.41 7.99 -0.79 -2.19 117.00 123.57 3dd5 n LEU 172 Ca 0.16 -1.21 -0.04 0.00 -0.01 0.00 0.00 56.01 54.91 3dd5 n LEU 172 Cb 0.68 -1.76 -0.02 0.00 -0.11 0.00 0.00 43.42 42.22 3dd5 n LEU 172 CO 0.10 0.50 -0.04 0.61 -1.51 0.00 0.00 177.39 177.05 3dd5 n GLY 173 N -2.38 0.66 3.24 -0.72 0.00 -0.17 -4.99 105.19 100.82 3dd5 n GLY 173 Ca -0.30 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.73 1.28 -0.29 1.61 1.70 -0.93 -4.75 118.95 115.84 3dd5 s ARG 174 Ca 0.00 -1.65 -0.14 0.00 -0.47 0.00 0.00 55.73 53.47 3dd5 s ARG 174 Cb 0.00 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 3dd5 s ARG 174 CO 0.00 -0.44 0.34 0.42 -1.08 0.00 0.00 175.30 174.54 3dd5 s ILE 175 N -4.07 5.20 0.26 4.99 1.01 -1.26 -4.78 121.20 122.55 3dd5 s ILE 175 Ca 0.38 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 61.06 3dd5 s ILE 175 Cb 0.06 -3.70 -0.13 0.00 0.01 0.00 0.00 42.46 38.70 3dd5 s ILE 175 CO 0.13 0.10 1.50 -0.81 0.00 0.00 0.00 174.94 175.86 3dd5 n PRO 176 N 5.30 2.34 -2.07 2.79 -0.04 -1.26 -2.04 135.00 140.02 3dd5 n PRO 176 Ca -0.10 0.83 -0.12 0.00 -0.04 0.00 0.00 63.50 64.08 3dd5 n PRO 176 Cb 0.51 -2.55 -0.01 0.00 -0.04 0.00 0.00 33.50 31.40 3dd5 n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dd5 n ASN 177 N 2.19 -3.98 -3.56 3.54 3.02 -1.26 -4.14 115.26 111.06 3dd5 n ASN 177 Ca 0.10 0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.57 3dd5 n ASN 177 Cb 0.34 -3.08 -0.11 0.00 -0.61 0.00 0.00 39.78 36.32 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 -2.58 -0.55 -0.19 3.10 5.36 -0.87 -4.85 117.98 117.41 3dd5 s PHE 178 Ca 0.00 0.90 -0.17 0.00 -0.96 0.00 0.00 56.93 56.70 3dd5 s PHE 178 Cb 0.00 -0.03 -0.07 0.00 -0.34 0.00 0.00 43.02 42.58 3dd5 s PHE 178 CO 0.00 -0.50 0.63 0.39 -1.46 0.00 0.00 175.22 174.28 3dd5 n GLU 179 N 5.36 0.00 0.23 10.12 1.02 -1.26 -4.55 120.64 131.56 3dd5 n GLU 179 Ca -0.06 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.15 3dd5 n GLU 179 Cb 0.50 -0.56 0.54 0.00 -0.02 0.00 0.00 31.44 31.90 3dd5 n GLU 179 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3dd5 h THR 180 N 1.98 0.99 0.00 2.62 1.35 -1.92 -2.52 112.91 115.40 3dd5 h THR 180 Ca -0.14 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3dd5 h THR 180 Cb 0.51 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3dd5 h THR 180 CO 0.37 0.20 0.00 -1.54 -0.25 0.00 0.00 175.52 174.30 3dd5 n SER 181 N -4.08 0.64 -0.99 5.36 3.41 -1.26 -1.39 113.62 115.31 3dd5 n SER 181 Ca -0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3dd5 n SER 181 Cb 0.27 -0.80 0.25 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.22 2.30 -5.13 4.33 5.02 -0.95 -4.95 118.16 116.56 3dd5 n LYS 182 Ca 0.02 -1.96 -0.31 0.00 -2.02 0.00 0.00 58.31 54.04 3dd5 n LYS 182 Cb 0.22 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.61 2.13 -0.04 -0.18 2.01 -0.49 -0.56 115.64 116.90 3dd5 s THR 183 Ca 0.36 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 3dd5 s THR 183 Cb 0.21 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.98 3dd5 s THR 183 CO 0.30 0.49 0.05 -0.70 -0.69 0.00 0.00 174.62 174.08 3dd5 s GLU 184 N -0.87 -0.00 -0.05 4.92 2.12 -0.74 -4.96 118.70 119.13 3dd5 s GLU 184 Ca 0.11 0.33 -0.21 0.00 0.36 0.00 0.00 54.97 55.56 3dd5 s GLU 184 Cb -0.10 -0.53 -0.05 0.00 0.26 0.00 0.00 34.13 33.71 3dd5 s GLU 184 CO 0.00 -0.31 0.60 0.08 -0.54 0.00 0.00 175.26 175.09 3dd5 s VAL 185 N 2.04 5.01 -0.39 3.70 1.01 -1.26 -1.51 120.40 128.99 3dd5 s VAL 185 Ca 0.04 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 3dd5 s VAL 185 Cb -0.12 -3.94 0.10 0.00 0.00 0.00 0.00 36.38 32.42 3dd5 s VAL 185 CO -0.03 0.35 0.18 -0.31 0.00 0.00 0.00 175.10 175.29 3dd5 s TYR 186 N 0.26 3.57 -0.22 5.22 1.51 0.38 -4.96 117.35 123.12 3dd5 s TYR 186 Ca 0.32 -2.40 0.01 0.00 -1.01 0.00 0.00 57.07 53.98 3dd5 s TYR 186 Cb -0.17 -3.11 0.05 0.00 -0.11 0.00 0.00 41.96 38.62 3dd5 s TYR 186 CO 0.16 -0.96 -0.08 0.00 -1.11 0.00 0.00 175.55 173.57 3dd5 s ASP 188 N 1.39 6.87 0.60 0.00 -1.08 -1.26 -4.90 116.67 118.29 3dd5 s ASP 188 Ca -0.04 2.56 0.29 0.00 -0.52 0.00 0.00 52.55 54.83 3dd5 s ASP 188 Cb -0.18 -2.63 1.50 0.00 -1.46 0.00 0.00 42.92 40.14 3dd5 s ASP 188 CO -0.07 -0.49 1.90 0.16 0.52 0.00 0.00 175.17 177.20 3dd5 h ILE 189 N 3.25 0.32 0.05 4.11 3.07 -2.01 -1.29 117.51 125.01 3dd5 h ILE 189 Ca -0.47 0.00 -0.28 0.00 1.55 0.00 0.00 64.86 65.66 3dd5 h ILE 189 Cb 1.22 0.63 0.02 0.00 -0.27 0.00 0.00 36.82 38.43 3dd5 h ILE 189 CO 0.69 0.00 -1.11 0.00 -1.05 0.00 0.00 178.15 176.69 3dd5 h ALA 190 N 1.45 0.07 -0.46 0.16 0.00 -2.03 -3.45 119.26 114.99 3dd5 h ALA 190 Ca 0.18 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 3dd5 h ALA 190 Cb 1.08 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3dd5 h ALA 190 CO -0.00 0.67 0.57 -3.47 0.00 0.00 0.00 179.25 177.02 3dd5 n ASP 191 N -3.85 1.39 -0.44 0.00 4.64 -0.49 -4.85 116.55 112.95 3dd5 n ASP 191 Ca -0.12 -1.18 0.36 0.00 -1.38 0.00 0.00 54.79 52.47 3dd5 n ASP 191 Cb 0.92 -1.48 0.65 0.00 -1.04 0.00 0.00 41.12 40.16 3dd5 n ASP 191 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3dd5 h ALA 192 N 13.45 2.77 0.00 -1.67 0.00 -1.88 -0.56 119.26 131.36 3dd5 h ALA 192 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dd5 h ALA 192 Cb 1.07 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3dd5 h ALA 192 CO 1.12 -1.34 0.04 1.33 0.00 0.00 0.00 179.25 180.41 3dd5 n VAL 193 N -4.60 0.97 0.94 0.00 0.24 -1.25 -1.25 118.33 113.39 3dd5 n VAL 193 Ca 0.35 0.74 0.12 0.00 -2.04 0.00 0.00 64.34 63.51 3dd5 n VAL 193 Cb 1.38 -1.74 0.21 0.00 -1.47 0.00 0.00 33.84 32.22 3dd5 n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dd5 n TYR 195 N 1.14 0.58 -2.28 0.00 4.02 -0.38 -3.71 117.16 116.54 3dd5 n TYR 195 Ca 0.16 -1.07 -0.09 0.00 -0.01 0.00 0.00 57.90 56.89 3dd5 n TYR 195 Cb 0.55 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.96 0.03 3.41 2.72 0.00 -1.26 -4.96 105.19 104.18 3dd5 n GLY 196 Ca 0.21 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 3dd5 n GLY 196 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dd5 s THR 197 N -2.54 0.00 -0.20 2.61 -1.32 -1.26 -5.04 115.64 107.90 3dd5 s THR 197 Ca 0.03 -1.71 -0.02 0.00 -1.21 0.00 0.00 61.69 58.79 3dd5 s THR 197 Cb -0.01 -2.46 0.06 0.00 -1.51 0.00 0.00 72.50 68.57 3dd5 s THR 197 CO 0.04 0.00 0.00 -0.76 -2.21 0.00 0.00 174.62 171.70 3dd5 s LEU 198 N -3.17 1.54 -0.03 9.08 1.02 -1.26 -3.83 118.68 122.03 3dd5 s LEU 198 Ca 0.32 -0.87 -0.03 0.00 0.02 0.00 0.00 54.13 53.57 3dd5 s LEU 198 Cb 0.02 -0.76 -0.04 0.00 0.02 0.00 0.00 46.19 45.43 3dd5 s LEU 198 CO 0.15 -0.27 0.17 -0.36 0.02 0.00 0.00 176.35 176.06 3dd5 s PHE 199 N 1.73 3.54 -0.38 0.29 0.08 -1.26 -5.06 117.98 116.92 3dd5 s PHE 199 Ca -0.02 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.42 3dd5 s PHE 199 Cb -0.17 -1.84 0.12 0.00 -0.57 0.00 0.00 43.02 40.55 3dd5 s PHE 199 CO -0.07 0.66 0.16 0.42 -0.10 0.00 0.00 175.22 176.28 3dd5 s ILE 200 N -1.27 1.38 -0.08 0.64 1.01 -1.26 -4.95 121.20 116.67 3dd5 s ILE 200 Ca 0.25 -2.13 -0.30 0.00 0.00 0.00 0.00 60.65 58.47 3dd5 s ILE 200 Cb -0.12 -2.00 0.12 0.00 0.01 0.00 0.00 42.46 40.46 3dd5 s ILE 200 CO 0.16 -0.77 0.97 -1.48 0.00 0.00 0.00 174.94 173.82 3dd5 s LEU 201 N 0.87 -0.33 0.12 2.97 2.34 -1.26 -5.13 118.68 118.27 3dd5 s LEU 201 Ca 0.14 0.11 -0.33 0.00 0.06 0.00 0.00 54.13 54.11 3dd5 s LEU 201 Cb -0.21 1.87 -0.12 0.00 -0.56 0.00 0.00 46.19 47.17 3dd5 s LEU 201 CO -0.10 -0.48 1.75 -2.65 -1.06 0.00 0.00 176.35 173.80 3dd5 n PRO 202 N 0.05 2.53 -0.00 1.48 -0.02 -1.26 -4.91 135.00 132.87 3dd5 n PRO 202 Ca -0.08 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3dd5 n PRO 202 Cb 0.60 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3dd5 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dd5 n ALA 203 N 4.80 -0.00 -2.09 3.55 0.00 -1.26 -5.17 120.51 120.35 3dd5 n ALA 203 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 3dd5 n ALA 203 Cb 0.33 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 3dd5 n ALA 203 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3dd5 s HIS 204 N -2.00 3.18 -0.01 0.00 3.76 -1.26 -4.97 115.29 114.00 3dd5 s HIS 204 Ca 0.00 0.84 -0.37 0.00 -0.15 0.00 0.00 55.06 55.38 3dd5 s HIS 204 Cb 0.00 -3.77 -0.16 0.00 1.11 0.00 0.00 32.58 29.77 3dd5 s HIS 204 CO 0.00 -2.74 1.50 0.34 -0.85 0.00 0.00 174.74 173.00 3dd5 n PHE 205 N 3.94 1.79 0.70 1.40 7.35 -1.26 -4.91 117.46 126.46 3dd5 n PHE 205 Ca 0.12 0.53 0.11 0.00 -0.76 0.00 0.00 57.45 57.45 3dd5 n PHE 205 Cb 0.41 -2.41 0.12 0.00 0.35 0.00 0.00 39.48 37.95 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 3.61 2.90 -0.63 -2.13 4.77 -1.26 -4.69 117.00 119.58 3dd5 n LEU 206 Ca 0.21 -1.15 0.06 0.00 -0.03 0.00 0.00 56.01 55.10 3dd5 n LEU 206 Cb 0.19 -0.07 0.17 0.00 -2.33 0.00 0.00 43.42 41.39 3dd5 n LEU 206 CO 0.68 0.54 0.35 -1.22 -1.33 0.00 0.00 177.39 176.41 3dd5 n TYR 207 N 1.22 0.00 -0.22 -1.77 4.01 -1.26 -4.82 117.16 114.32 3dd5 n TYR 207 Ca 0.14 -1.26 -0.00 0.00 -0.16 0.00 0.00 57.90 56.61 3dd5 n TYR 207 Cb 0.53 -0.22 0.11 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.82 0.49 0.00 -0.72 5.75 -1.99 0.13 115.11 119.60 3dd5 h GLN 208 Ca -0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 3dd5 h GLN 208 Cb 1.12 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 3dd5 h GLN 208 CO 0.01 0.33 -1.06 1.79 -2.65 0.00 0.00 178.83 177.25 3dd5 h THR 209 N 0.51 0.37 -0.15 2.39 1.35 -1.98 -2.18 112.91 113.22 3dd5 h THR 209 Ca 0.31 -1.66 -0.02 0.00 -0.55 0.00 0.00 66.41 64.48 3dd5 h THR 209 Cb 0.33 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3dd5 h THR 209 CO -0.27 0.21 -0.00 0.44 -0.25 0.00 0.00 175.52 175.65 3dd5 h ASP 210 N 0.00 0.26 0.12 5.36 3.32 -1.72 -1.84 116.42 121.92 3dd5 h ASP 210 Ca -0.08 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 3dd5 h ASP 210 Cb 1.34 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3dd5 h ASP 210 CO 0.03 0.51 -0.24 0.00 -1.72 0.00 0.00 179.24 177.82 3dd5 h ALA 211 N 0.76 1.36 0.00 3.45 0.00 -0.82 0.17 119.26 124.18 3dd5 h ALA 211 Ca 0.04 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3dd5 h ALA 211 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3dd5 h ALA 211 CO 0.01 0.44 -1.42 0.00 0.00 0.00 0.00 179.25 178.28 3dd5 h ALA 212 N 1.55 0.68 0.00 0.00 0.00 -1.36 -3.37 119.26 116.76 3dd5 h ALA 212 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3dd5 h ALA 212 Cb 0.55 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dd5 h ALA 212 CO 0.04 1.12 -0.09 0.28 0.00 0.00 0.00 179.25 180.60 3dd5 n VAL 213 N -2.98 0.95 0.14 0.00 0.31 -0.70 -4.73 118.33 111.33 3dd5 n VAL 213 Ca -0.11 0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 64.40 3dd5 n VAL 213 Cb 0.90 -1.42 -0.08 0.00 -0.91 0.00 0.00 33.84 32.33 3dd5 n VAL 213 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dd5 h ALA 214 N 0.00 -0.30 0.21 3.52 0.00 -1.43 -1.59 119.26 119.67 3dd5 h ALA 214 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dd5 h ALA 214 Cb 0.09 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dd5 h ALA 214 CO 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 179.25 178.50 3dd5 h ALA 215 N 0.43 -0.29 -0.46 0.00 0.00 -1.20 -0.39 119.26 117.35 3dd5 h ALA 215 Ca -0.03 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dd5 h ALA 215 Cb 0.26 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3dd5 h ALA 215 CO 0.05 -0.58 -0.01 -1.35 0.00 0.00 0.00 179.25 177.37 3dd5 h PRO 216 N -0.46 0.10 -0.59 0.00 0.11 -1.75 0.43 132.00 129.85 3dd5 h PRO 216 Ca -0.03 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.19 3dd5 h PRO 216 Cb 0.35 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 31.32 3dd5 h PRO 216 CO 0.05 0.07 -0.18 -0.09 -0.21 0.00 0.00 178.00 177.63 3dd5 h ARG 217 N 0.11 -0.04 -0.15 1.05 9.65 -1.10 -0.99 114.38 122.91 3dd5 h ARG 217 Ca 0.23 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.92 3dd5 h ARG 217 Cb 0.34 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3dd5 h ARG 217 CO -0.39 -0.02 -0.64 0.35 2.80 0.00 0.00 179.97 182.07 3dd5 h PHE 218 N -0.04 0.93 -0.10 2.20 3.57 0.42 -3.13 116.94 120.79 3dd5 h PHE 218 Ca 0.28 -0.40 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 3dd5 h PHE 218 Cb 0.47 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3dd5 h PHE 218 CO -0.52 1.21 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.41 3dd5 h LEU 219 N 0.39 0.19 -0.55 0.59 3.38 0.02 -2.91 115.31 116.42 3dd5 h LEU 219 Ca -0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3dd5 h LEU 219 Cb 1.27 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3dd5 h LEU 219 CO 0.13 0.49 0.30 -0.61 0.09 0.00 0.00 178.44 178.84 3dd5 h GLN 220 N 0.17 0.77 -0.10 1.13 4.15 -1.15 -2.54 115.11 117.54 3dd5 h GLN 220 Ca 0.02 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 3dd5 h GLN 220 Cb 0.62 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3dd5 h GLN 220 CO 0.04 0.59 -0.30 0.00 -1.93 0.00 0.00 178.83 177.24 3dd5 h ALA 221 N 1.13 1.32 0.04 3.38 0.00 -1.48 -3.06 119.26 120.58 3dd5 h ALA 221 Ca 0.19 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3dd5 h ALA 221 Cb 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dd5 h ALA 221 CO -0.03 0.47 -0.45 0.00 0.00 0.00 0.00 179.25 179.24 3dd5 h ARG 222 N 0.16 0.24 -0.00 0.00 2.47 -1.32 -3.18 114.38 112.75 3dd5 h ARG 222 Ca 0.02 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 3dd5 h ARG 222 Cb 0.62 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.04 3dd5 h ARG 222 CO 0.04 1.06 0.06 0.82 0.56 0.00 0.00 179.97 182.52 3dd5 h ILE 223 N -0.44 0.03 0.00 2.04 2.04 -1.54 -3.47 117.51 116.17 3dd5 h ILE 223 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3dd5 h ILE 223 Cb 1.25 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3dd5 h ILE 223 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.85