#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dc7 s VAL 19 N 0.00 3.06 0.09 1.59 1.01 -1.26 -5.03 120.40 119.86 3dc7 s VAL 19 Ca 0.00 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 62.83 3dc7 s VAL 19 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 3dc7 s VAL 19 CO 0.00 0.17 0.19 -0.94 0.00 0.00 0.00 175.10 174.52 3dc7 s SER 20 N 0.01 0.12 0.06 3.32 1.04 -1.26 -4.94 113.70 112.05 3dc7 s SER 20 Ca 0.54 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 56.36 3dc7 s SER 20 Cb -0.37 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 3dc7 s SER 20 CO 0.43 -0.72 -0.09 -0.36 0.98 0.00 0.00 173.24 173.48 3dc7 s PHE 21 N -3.78 0.83 -0.13 5.02 0.08 -1.26 -5.08 117.98 113.66 3dc7 s PHE 21 Ca 0.04 -0.55 0.19 0.00 0.12 0.00 0.00 56.93 56.74 3dc7 s PHE 21 Cb 0.05 -0.48 -0.25 0.00 -0.57 0.00 0.00 43.02 41.77 3dc7 s PHE 21 CO -0.11 -0.06 0.40 1.63 -0.10 0.00 0.00 175.22 176.99 3dc7 n LYS 22 N 1.20 0.66 -3.16 0.44 4.01 -1.26 -4.61 118.16 115.44 3dc7 n LYS 22 Ca -0.21 -0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.38 3dc7 n LYS 22 Cb 0.55 -1.60 -0.04 0.00 -0.51 0.00 0.00 35.03 33.43 3dc7 n LYS 22 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3dc7 n ARG 23 N -2.64 1.38 -2.38 1.97 1.74 -1.26 -0.09 116.66 115.39 3dc7 n ARG 23 Ca -0.18 -3.67 -0.35 0.00 -0.77 0.00 0.00 57.85 52.89 3dc7 n ARG 23 Cb 0.89 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 30.59 3dc7 n ARG 23 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dc7 s PRO 24 N -2.37 3.57 -0.06 5.56 0.04 -1.22 -2.08 135.00 138.45 3dc7 s PRO 24 Ca 0.41 1.52 0.06 0.00 0.04 0.00 0.00 61.00 63.03 3dc7 s PRO 24 Cb 0.29 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 3dc7 s PRO 24 CO -0.09 -0.65 -0.23 0.00 0.04 0.00 0.00 177.00 176.07 3dc7 s ALA 25 N -1.83 2.03 -0.33 8.56 0.00 0.63 -1.79 121.76 129.02 3dc7 s ALA 25 Ca 0.70 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3dc7 s ALA 25 Cb -0.21 -0.65 0.09 0.00 0.00 0.00 0.00 23.12 22.35 3dc7 s ALA 25 CO 0.25 0.38 0.05 -1.58 0.00 0.00 0.00 175.76 174.85 3dc7 s TRP 26 N -0.09 3.54 -0.27 0.00 0.52 0.19 -1.59 118.94 121.25 3dc7 s TRP 26 Ca -0.05 -2.53 -0.15 0.00 0.02 0.00 0.00 56.10 53.39 3dc7 s TRP 26 Cb -0.14 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.49 3dc7 s TRP 26 CO 0.04 -0.92 0.40 -1.17 0.02 0.00 0.00 176.95 175.32 3dc7 s LEU 27 N 1.06 4.05 0.00 2.99 0.20 -0.09 -0.17 118.68 126.72 3dc7 s LEU 27 Ca 0.04 0.31 0.00 0.00 0.69 0.00 0.00 54.13 55.16 3dc7 s LEU 27 Cb -0.20 -2.46 0.00 0.00 -0.43 0.00 0.00 46.19 43.10 3dc7 s LEU 27 CO -0.05 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.41 3dc7 n GLY 28 N 4.65 1.68 0.00 7.98 0.00 -0.96 -0.79 105.19 117.75 3dc7 n GLY 28 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3dc7 n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dc7 n ASP 29 N -0.10 0.00 0.13 1.61 5.68 -1.23 -1.33 116.55 121.31 3dc7 n ASP 29 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 3dc7 n ASP 29 Cb 0.00 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.44 3dc7 n ASP 29 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3dc7 h SER 30 N 0.00 0.21 0.84 -1.12 0.02 -1.89 -0.65 113.55 110.96 3dc7 h SER 30 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3dc7 h SER 30 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3dc7 h SER 30 CO 0.00 0.27 0.00 0.40 -1.14 0.00 0.00 176.83 176.36 3dc7 h ILE 31 N 0.23 0.00 0.00 3.27 2.04 -1.94 -3.18 117.51 117.93 3dc7 h ILE 31 Ca 0.05 -0.34 -0.29 0.00 1.00 0.00 0.00 64.86 65.28 3dc7 h ILE 31 Cb 0.19 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3dc7 h ILE 31 CO 0.01 0.00 -2.10 0.41 0.00 0.00 0.00 178.15 176.47 3dc7 n THR 32 N -2.58 1.10 -1.75 -0.27 -1.04 -0.76 -4.78 114.28 104.20 3dc7 n THR 32 Ca 0.01 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.05 61.19 3dc7 n THR 32 Cb 0.26 -1.20 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 3dc7 n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dc7 n ALA 33 N -3.09 2.35 -1.43 2.41 0.00 -0.32 -4.71 120.51 115.72 3dc7 n ALA 33 Ca -0.34 0.36 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 3dc7 n ALA 33 Cb 0.86 -2.43 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 3dc7 n ALA 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dc7 n ASN 34 N 1.55 6.70 -0.59 0.00 2.04 -1.26 -4.43 115.26 119.26 3dc7 n ASN 34 Ca 0.06 -2.93 0.00 0.00 -0.44 0.00 0.00 54.58 51.28 3dc7 n ASN 34 Cb 0.37 -1.34 0.00 0.00 -2.53 0.00 0.00 39.78 36.28 3dc7 n ASN 34 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3dc7 n ASN 35 N 1.78 0.09 0.00 0.53 5.15 -1.26 -5.12 115.26 116.43 3dc7 n ASN 35 Ca 0.53 -1.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 3dc7 n ASN 35 Cb 0.56 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 3dc7 n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dc7 n GLY 36 N 0.05 2.07 0.21 8.20 0.00 -1.26 -5.07 105.19 109.38 3dc7 n GLY 36 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3dc7 n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dc7 h LEU 37 N 0.00 0.28 -9.06 0.99 4.07 -1.93 -3.38 115.31 106.28 3dc7 h LEU 37 Ca 0.00 -0.10 -0.63 0.00 0.08 0.00 0.00 57.88 57.22 3dc7 h LEU 37 Cb 0.00 -0.08 -0.17 0.00 1.08 0.00 0.00 40.66 41.49 3dc7 h LEU 37 CO 0.00 0.60 -0.61 0.00 -1.08 0.00 0.00 178.44 177.36 3dc7 s ALA 38 N -4.32 3.26 -0.10 1.53 0.00 -1.26 -4.95 121.76 115.92 3dc7 s ALA 38 Ca -0.05 -0.78 0.13 0.00 0.00 0.00 0.00 51.96 51.27 3dc7 s ALA 38 Cb 0.14 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3dc7 s ALA 38 CO 0.77 0.27 1.39 1.79 0.00 0.00 0.00 175.76 179.98 3dc7 h THR 39 N 4.82 1.02 -3.24 0.00 1.35 -1.96 -3.44 112.91 111.47 3dc7 h THR 39 Ca -0.38 -2.46 -0.63 0.00 -0.55 0.00 0.00 66.41 62.40 3dc7 h THR 39 Cb 1.18 2.50 -0.36 0.00 -1.73 0.00 0.00 68.15 69.74 3dc7 h THR 39 CO 0.65 0.58 -0.83 -0.69 -0.25 0.00 0.00 175.52 174.98 3dc7 s VAL 40 N -2.91 1.75 0.30 6.82 1.01 -1.26 -5.08 120.40 121.03 3dc7 s VAL 40 Ca 0.03 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.17 3dc7 s VAL 40 Cb 0.08 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3dc7 s VAL 40 CO 0.76 0.37 0.45 -1.00 0.00 0.00 0.00 175.10 175.68 3dc7 s HIS 41 N 1.39 3.39 0.34 5.22 0.09 -1.26 -4.58 115.29 119.87 3dc7 s HIS 41 Ca 0.02 0.06 0.10 0.00 -0.00 0.00 0.00 55.06 55.24 3dc7 s HIS 41 Cb -0.14 -1.77 0.86 0.00 -0.00 0.00 0.00 32.58 31.52 3dc7 s HIS 41 CO -0.10 0.23 1.78 0.10 -0.00 0.00 0.00 174.74 176.75 3dc7 h TYR 42 N 0.96 0.93 0.00 1.40 -0.00 -1.86 0.04 116.97 118.44 3dc7 h TYR 42 Ca -0.50 0.03 -0.08 0.00 -0.00 0.00 0.00 58.73 58.18 3dc7 h TYR 42 Cb 1.23 -0.28 -0.01 0.00 -0.00 0.00 0.00 36.73 37.67 3dc7 h TYR 42 CO 0.46 0.18 -0.39 1.12 -0.00 0.00 0.00 178.16 179.53 3dc7 h HIS 43 N 0.64 0.00 -0.57 0.10 2.07 -1.93 -2.19 115.15 113.27 3dc7 h HIS 43 Ca 0.57 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 58.04 3dc7 h HIS 43 Cb 1.06 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.01 3dc7 h HIS 43 CO -0.00 0.39 0.13 -0.44 -3.07 0.00 0.00 177.93 174.94 3dc7 h ASP 44 N 0.00 0.87 -0.28 3.10 3.32 -1.39 -0.13 116.42 121.91 3dc7 h ASP 44 Ca -0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3dc7 h ASP 44 Cb 1.10 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3dc7 h ASP 44 CO 0.05 0.88 0.15 0.40 -1.72 0.00 0.00 179.24 179.00 3dc7 h ILE 45 N 0.81 1.13 -0.07 0.35 2.04 -1.17 -2.25 117.51 118.35 3dc7 h ILE 45 Ca 0.18 -0.35 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 3dc7 h ILE 45 Cb 0.35 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3dc7 h ILE 45 CO 0.00 0.13 -0.70 -0.07 0.00 0.00 0.00 178.15 177.52 3dc7 h LEU 46 N 0.33 0.41 -0.29 1.44 3.38 -1.39 -2.01 115.31 117.17 3dc7 h LEU 46 Ca 0.10 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3dc7 h LEU 46 Cb 0.08 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3dc7 h LEU 46 CO -0.01 0.98 0.05 0.00 0.09 0.00 0.00 178.44 179.54 3dc7 h ALA 47 N 1.01 0.30 -0.42 1.53 0.00 -0.93 -0.14 119.26 120.61 3dc7 h ALA 47 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dc7 h ALA 47 Cb 1.26 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3dc7 h ALA 47 CO 0.12 -0.36 0.26 0.00 0.00 0.00 0.00 179.25 179.26 3dc7 h ALA 48 N 1.22 0.53 -0.36 0.00 0.00 -1.33 -1.17 119.26 118.16 3dc7 h ALA 48 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3dc7 h ALA 48 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dc7 h ALA 48 CO -0.19 0.01 -0.06 -0.44 0.00 0.00 0.00 179.25 178.57 3dc7 h ASP 49 N 0.56 0.57 0.42 0.00 5.19 -1.19 -3.06 116.42 118.92 3dc7 h ASP 49 Ca 0.15 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3dc7 h ASP 49 Cb -0.03 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.33 3dc7 h ASP 49 CO -0.03 0.69 -0.60 0.79 -3.12 0.00 0.00 179.24 176.97 3dc7 n TRP 50 N -4.22 0.02 -3.67 4.55 8.01 -0.08 -4.97 117.44 117.08 3dc7 n TRP 50 Ca 0.01 0.01 -0.24 0.00 -1.31 0.00 0.00 57.50 55.97 3dc7 n TRP 50 Cb 0.30 -0.22 0.03 0.00 -2.01 0.00 0.00 31.31 29.41 3dc7 n TRP 50 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3dc7 n ASP 51 N -1.53 -2.71 -4.70 -0.99 8.00 -0.46 -4.81 116.55 109.36 3dc7 n ASP 51 Ca 0.05 -0.88 -0.33 0.00 0.71 0.00 0.00 54.79 54.35 3dc7 n ASP 51 Cb 0.34 -3.92 0.12 0.00 -0.02 0.00 0.00 41.12 37.64 3dc7 n ASP 51 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3dc7 s VAL 52 N -3.62 2.17 0.12 2.53 -7.23 -1.13 -4.93 120.40 108.30 3dc7 s VAL 52 Ca 0.17 0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.35 3dc7 s VAL 52 Cb -0.05 -2.45 -0.19 0.00 0.56 0.00 0.00 36.38 34.25 3dc7 s VAL 52 CO 0.82 -0.06 1.28 -0.33 -0.31 0.00 0.00 175.10 176.51 3dc7 h GLU 53 N -0.94 0.47 -2.16 4.82 5.08 -0.81 -3.47 114.58 117.56 3dc7 h GLU 53 Ca -0.46 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.34 3dc7 h GLU 53 Cb 1.29 0.14 -0.21 0.00 0.50 0.00 0.00 28.75 30.47 3dc7 h GLU 53 CO 0.46 1.15 0.08 0.50 -1.00 0.00 0.00 179.01 180.20 3dc7 s ARG 54 N -3.28 0.85 -0.23 2.33 3.52 -1.13 -5.06 118.95 115.95 3dc7 s ARG 54 Ca -0.07 0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 56.15 3dc7 s ARG 54 Cb 0.08 0.41 0.07 0.00 -1.56 0.00 0.00 34.95 33.95 3dc7 s ARG 54 CO 0.88 -0.17 0.03 0.45 -0.81 0.00 0.00 175.30 175.67 3dc7 s SER 55 N -0.26 3.43 -0.32 -2.12 0.15 -1.26 -3.45 113.70 109.87 3dc7 s SER 55 Ca -0.04 -1.12 -0.20 0.00 0.70 0.00 0.00 55.95 55.29 3dc7 s SER 55 Cb -0.03 -0.81 -0.01 0.00 -1.71 0.00 0.00 66.02 63.46 3dc7 s SER 55 CO 0.04 -0.32 0.62 -1.81 1.20 0.00 0.00 173.24 172.97 3dc7 s ASP 56 N 1.68 6.46 -0.45 5.45 1.11 -0.74 -5.01 116.67 125.16 3dc7 s ASP 56 Ca 0.01 0.33 -0.18 0.00 0.18 0.00 0.00 52.55 52.88 3dc7 s ASP 56 Cb -0.18 -2.32 0.03 0.00 1.07 0.00 0.00 42.92 41.53 3dc7 s ASP 56 CO -0.12 -0.50 0.53 0.21 1.18 0.00 0.00 175.17 176.48 3dc7 s ASN 57 N 1.68 6.23 -0.45 0.27 3.84 -1.26 -0.63 114.94 124.61 3dc7 s ASN 57 Ca 0.24 -0.70 0.03 0.00 0.21 0.00 0.00 52.86 52.65 3dc7 s ASN 57 Cb -0.15 -2.26 0.45 0.00 -0.55 0.00 0.00 41.25 38.74 3dc7 s ASN 57 CO 0.13 -0.71 1.53 0.18 -2.79 0.00 0.00 177.10 175.43 3dc7 n LEU 58 N 5.88 6.03 -4.74 3.21 4.77 0.76 -4.97 117.00 127.95 3dc7 n LEU 58 Ca -0.06 -4.60 -0.39 0.00 -0.03 0.00 0.00 56.01 50.93 3dc7 n LEU 58 Cb 0.47 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 3dc7 n LEU 58 CO 0.50 1.87 0.39 -0.83 -1.33 0.00 0.00 177.39 177.98 3dc7 s GLY 59 N -2.87 2.67 -0.07 -0.72 0.00 -1.24 -2.27 107.32 102.83 3dc7 s GLY 59 Ca 0.56 0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.45 3dc7 s GLY 59 CO -0.00 1.02 -0.10 -0.42 0.00 0.00 0.00 173.10 173.60 3dc7 s ILE 60 N 0.20 0.98 0.24 0.90 1.01 -0.44 -4.41 121.20 119.68 3dc7 s ILE 60 Ca 0.36 -0.36 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 3dc7 s ILE 60 Cb -0.19 -0.93 -0.12 0.00 0.01 0.00 0.00 42.46 41.23 3dc7 s ILE 60 CO 0.19 0.33 1.67 -0.24 0.00 0.00 0.00 174.94 176.89 3dc7 n SER 61 N 4.08 3.90 0.00 3.58 2.88 -1.26 -2.22 113.62 124.58 3dc7 n SER 61 Ca -0.21 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 3dc7 n SER 61 Cb 0.51 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 3dc7 n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dc7 n GLY 62 N 3.28 1.91 3.75 0.46 0.00 -1.26 -4.85 105.19 108.48 3dc7 n GLY 62 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3dc7 n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dc7 s SER 63 N -3.45 6.50 0.24 1.61 0.15 -0.94 -4.77 113.70 113.04 3dc7 s SER 63 Ca 0.00 2.82 0.07 0.00 0.70 0.00 0.00 55.95 59.54 3dc7 s SER 63 Cb 0.00 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 3dc7 s SER 63 CO 0.00 -0.82 0.22 0.42 1.20 0.00 0.00 173.24 174.26 3dc7 s THR 64 N -0.00 4.60 0.15 6.45 -4.23 0.59 -4.57 115.64 118.63 3dc7 s THR 64 Ca 0.61 -1.31 -0.10 0.00 -1.18 0.00 0.00 61.69 59.72 3dc7 s THR 64 Cb -0.45 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 3dc7 s THR 64 CO 0.46 -0.33 1.49 0.40 -0.54 0.00 0.00 174.62 176.10 3dc7 h ILE 65 N 1.46 1.27 -3.66 2.99 2.04 -1.90 -3.36 117.51 116.37 3dc7 h ILE 65 Ca -0.49 -1.57 -0.41 0.00 1.00 0.00 0.00 64.86 63.39 3dc7 h ILE 65 Cb 1.23 1.41 0.17 0.00 -0.74 0.00 0.00 36.82 38.90 3dc7 h ILE 65 CO 0.61 0.52 0.34 0.61 0.00 0.00 0.00 178.15 180.23 3dc7 n GLY 66 N 0.13 -1.79 0.29 5.37 0.00 -1.26 -2.69 105.19 105.24 3dc7 n GLY 66 Ca -0.02 -1.66 0.20 0.00 0.00 0.00 0.00 46.02 44.54 3dc7 n GLY 66 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dc7 h SER 67 N -1.91 0.00 -0.30 1.61 4.64 -1.89 -3.33 113.55 112.37 3dc7 h SER 67 Ca -0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3dc7 h SER 67 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3dc7 h SER 67 CO 0.28 0.00 0.14 0.03 -0.87 0.00 0.00 176.83 176.41 3dc7 h ARG 68 N 0.00 0.43 -3.10 4.77 3.08 -1.92 -3.43 114.38 114.21 3dc7 h ARG 68 Ca 0.00 -0.07 -0.43 0.00 0.07 0.00 0.00 59.98 59.55 3dc7 h ARG 68 Cb 0.11 -0.08 -0.40 0.00 0.08 0.00 0.00 29.97 29.68 3dc7 h ARG 68 CO 0.00 0.42 -0.74 0.71 -1.07 0.00 0.00 179.97 179.28 3dc7 s TYR 69 N -5.68 0.14 -1.18 3.04 1.51 -1.25 -4.94 117.35 108.98 3dc7 s TYR 69 Ca -0.13 -0.15 -0.31 0.00 -1.01 0.00 0.00 57.07 55.47 3dc7 s TYR 69 Cb 0.09 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.35 3dc7 s TYR 69 CO 0.72 -0.44 0.70 -0.25 -1.11 0.00 0.00 175.55 175.18 3dc7 n ASP 70 N 5.29 -4.43 -3.06 2.29 8.00 -1.26 -0.30 116.55 123.08 3dc7 n ASP 70 Ca -0.06 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3dc7 n ASP 70 Cb 0.49 -2.02 0.00 0.00 -0.02 0.00 0.00 41.12 39.58 3dc7 n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dc7 n ALA 71 N -4.79 0.00 0.00 2.24 0.00 -1.26 -4.36 120.51 112.34 3dc7 n ALA 71 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3dc7 n ALA 71 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3dc7 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dc7 n ALA 73 N -2.36 0.00 -0.07 0.00 0.00 -1.09 -0.98 120.51 116.01 3dc7 n ALA 73 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3dc7 n ALA 73 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3dc7 n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dc7 n VAL 74 N 0.05 0.77 0.36 0.00 0.31 -1.26 -4.52 118.33 114.04 3dc7 n VAL 74 Ca 0.00 -0.26 0.10 0.00 -0.01 0.00 0.00 64.34 64.18 3dc7 n VAL 74 Cb 0.00 -1.25 0.46 0.00 -0.91 0.00 0.00 33.84 32.13 3dc7 n VAL 74 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dc7 n ARG 75 N -3.18 0.15 0.22 5.55 1.74 -0.15 -2.57 116.66 118.41 3dc7 n ARG 75 Ca -0.25 0.43 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 3dc7 n ARG 75 Cb 0.73 -1.81 0.68 0.00 -1.02 0.00 0.00 32.46 31.05 3dc7 n ARG 75 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3dc7 h TYR 76 N 0.00 0.00 0.00 -1.55 -0.00 -1.85 -1.87 116.97 111.70 3dc7 h TYR 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3dc7 h TYR 76 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.00 3dc7 h TYR 76 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.20 3dc7 n GLN 77 N -2.45 0.22 0.00 0.10 6.02 -1.06 -1.92 117.38 118.29 3dc7 n GLN 77 Ca -0.02 0.29 0.14 0.00 -0.01 0.00 0.00 57.00 57.40 3dc7 n GLN 77 Cb 0.16 -1.81 0.75 0.00 1.02 0.00 0.00 30.24 30.36 3dc7 n GLN 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dc7 n ALA 78 N -1.76 2.46 -1.95 -1.58 0.00 -0.70 -4.88 120.51 112.09 3dc7 n ALA 78 Ca 0.04 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3dc7 n ALA 78 Cb 0.34 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 3dc7 n ALA 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dc7 s ILE 79 N -2.51 2.81 0.20 0.00 1.01 -0.81 -4.95 121.20 116.95 3dc7 s ILE 79 Ca 0.29 0.50 -0.32 0.00 0.00 0.00 0.00 60.65 61.12 3dc7 s ILE 79 Cb 0.20 -3.32 -0.15 0.00 0.01 0.00 0.00 42.46 39.20 3dc7 s ILE 79 CO 0.43 0.03 1.29 -2.65 0.00 0.00 0.00 174.94 174.04 3dc7 n PRO 80 N 4.45 1.58 -0.38 2.79 -0.02 -1.26 -4.86 135.00 137.30 3dc7 n PRO 80 Ca 0.14 0.56 0.30 0.00 -2.02 0.00 0.00 63.50 62.48 3dc7 n PRO 80 Cb 0.39 -2.15 0.58 0.00 -0.02 0.00 0.00 33.50 32.31 3dc7 n PRO 80 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dc7 h GLU 81 N 3.88 0.23 -0.51 -0.52 4.22 -1.96 -2.37 114.58 117.56 3dc7 h GLU 81 Ca -0.44 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 3dc7 h GLU 81 Cb 1.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3dc7 h GLU 81 CO 0.74 0.15 0.00 -0.40 -2.18 0.00 0.00 179.01 177.32 3dc7 n ASP 82 N -4.63 4.86 -4.71 1.04 5.75 -1.26 -4.98 116.55 112.63 3dc7 n ASP 82 Ca 0.30 -2.76 -0.43 0.00 -0.01 0.00 0.00 54.79 51.89 3dc7 n ASP 82 Cb 1.14 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 40.62 3dc7 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dc7 n ALA 83 N 0.48 1.59 0.47 2.12 0.00 -0.89 -4.91 120.51 119.37 3dc7 n ALA 83 Ca 0.25 0.37 0.08 0.00 0.00 0.00 0.00 53.44 54.14 3dc7 n ALA 83 Cb 0.99 -2.32 0.09 0.00 0.00 0.00 0.00 19.45 18.22 3dc7 n ALA 83 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dc7 n ASP 84 N 1.36 2.50 -3.67 0.00 5.75 -0.88 -4.94 116.55 116.68 3dc7 n ASP 84 Ca 0.07 -1.72 -0.13 0.00 -0.01 0.00 0.00 54.79 53.00 3dc7 n ASP 84 Cb 0.35 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.30 3dc7 n ASP 84 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3dc7 s PHE 85 N -1.24 -0.69 -0.12 2.11 5.36 -1.25 -4.30 117.98 117.84 3dc7 s PHE 85 Ca 0.21 1.64 -0.01 0.00 -0.96 0.00 0.00 56.93 57.82 3dc7 s PHE 85 Cb 0.14 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 43.12 3dc7 s PHE 85 CO 0.20 -0.34 -0.05 0.42 -1.46 0.00 0.00 175.22 174.00 3dc7 s ILE 86 N 0.50 0.86 -0.07 3.12 1.01 -0.86 -0.27 121.20 125.49 3dc7 s ILE 86 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.36 3dc7 s ILE 86 Cb -0.04 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3dc7 s ILE 86 CO -0.02 0.26 -0.08 0.00 0.00 0.00 0.00 174.94 175.10 3dc7 s ALA 87 N 1.76 2.95 -0.20 9.38 0.00 -0.62 -1.73 121.76 133.30 3dc7 s ALA 87 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 3dc7 s ALA 87 Cb -0.13 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 3dc7 s ALA 87 CO -0.07 0.55 -0.10 0.08 0.00 0.00 0.00 175.76 176.22 3dc7 s VAL 88 N -0.74 2.98 -0.44 0.00 1.01 -0.41 -0.92 120.40 121.90 3dc7 s VAL 88 Ca 0.11 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3dc7 s VAL 88 Cb -0.11 -2.32 0.12 0.00 0.00 0.00 0.00 36.38 34.07 3dc7 s VAL 88 CO 0.01 0.47 0.18 0.12 0.00 0.00 0.00 175.10 175.88 3dc7 s PHE 89 N 1.28 3.06 0.36 5.22 2.19 0.03 0.06 117.98 130.20 3dc7 s PHE 89 Ca 0.03 -2.90 -0.04 0.00 0.33 0.00 0.00 56.93 54.36 3dc7 s PHE 89 Cb -0.14 -2.63 0.01 0.00 -1.31 0.00 0.00 43.02 38.96 3dc7 s PHE 89 CO -0.05 -0.82 0.54 0.20 1.83 0.00 0.00 175.22 176.92 3dc7 s GLY 90 N 0.32 1.38 0.00 13.12 0.00 -1.23 -3.54 107.32 117.37 3dc7 s GLY 90 Ca 0.15 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3dc7 s GLY 90 CO -0.04 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.77 3dc7 n GLY 91 N -0.59 1.52 0.23 0.20 0.00 -1.26 -4.53 105.19 100.76 3dc7 n GLY 91 Ca -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3dc7 n GLY 91 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3dc7 h VAL 92 N 0.00 1.28 -0.02 1.61 3.04 -1.93 -0.84 116.25 119.39 3dc7 h VAL 92 Ca 0.00 -1.36 -0.19 0.00 -1.01 0.00 0.00 66.70 64.14 3dc7 h VAL 92 Cb 0.00 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 3dc7 h VAL 92 CO 0.00 0.43 -0.81 0.78 -1.01 0.00 0.00 177.57 176.96 3dc7 h ASN 93 N 0.43 0.33 -0.91 3.17 2.35 -1.93 -0.35 115.58 118.68 3dc7 h ASN 93 Ca 0.06 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.60 3dc7 h ASN 93 Cb 0.74 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.95 3dc7 h ASN 93 CO 0.06 1.01 0.60 0.44 -1.65 0.00 0.00 177.43 177.89 3dc7 h ASP 94 N 0.16 0.98 0.14 5.81 5.19 -1.65 0.58 116.42 127.64 3dc7 h ASP 94 Ca -0.04 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 3dc7 h ASP 94 Cb 1.41 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.70 3dc7 h ASP 94 CO 0.13 0.67 -0.07 0.22 -3.12 0.00 0.00 179.24 177.07 3dc7 h TYR 95 N 1.14 -0.18 0.00 4.55 3.20 -1.13 0.84 116.97 125.38 3dc7 h TYR 95 Ca 0.36 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.17 3dc7 h TYR 95 Cb 0.02 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3dc7 h TYR 95 CO -0.00 0.26 -0.33 0.78 -1.64 0.00 0.00 178.16 177.23 3dc7 h GLY 96 N -0.72 0.00 -2.57 1.82 0.00 -0.79 -3.02 103.07 97.79 3dc7 h GLY 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3dc7 h GLY 96 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.11 3dc7 n ARG 97 N -3.15 3.72 -3.26 4.80 1.74 0.20 -3.63 116.66 117.08 3dc7 n ARG 97 Ca 0.02 -2.86 -0.16 0.00 -0.77 0.00 0.00 57.85 54.08 3dc7 n ARG 97 Cb 0.65 -1.91 0.07 0.00 -1.02 0.00 0.00 32.46 30.25 3dc7 n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dc7 n ASP 98 N 0.46 -3.73 -4.69 0.55 8.00 -1.14 -4.97 116.55 111.03 3dc7 n ASP 98 Ca 0.23 -0.46 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 3dc7 n ASP 98 Cb 0.92 -4.17 -0.03 0.00 -0.02 0.00 0.00 41.12 37.82 3dc7 n ASP 98 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3dc7 s GLN 99 N -5.56 4.23 0.09 -1.24 2.00 0.28 -4.96 119.66 114.49 3dc7 s GLN 99 Ca 0.23 2.20 -0.34 0.00 -2.00 0.00 0.00 55.36 55.45 3dc7 s GLN 99 Cb -0.10 -3.54 -0.14 0.00 0.80 0.00 0.00 33.01 30.03 3dc7 s GLN 99 CO 0.58 -0.66 1.62 -2.30 -0.50 0.00 0.00 175.29 174.03 3dc7 n PRO 100 N 5.34 2.00 -0.03 1.67 -0.02 -1.26 -4.79 135.00 137.90 3dc7 n PRO 100 Ca 0.15 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3dc7 n PRO 100 Cb 0.41 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 3dc7 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dc7 h LEU 101 N 6.48 0.20 0.00 2.45 6.46 -1.93 -0.24 115.31 128.73 3dc7 h LEU 101 Ca -0.46 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.07 3dc7 h LEU 101 Cb 1.27 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 3dc7 h LEU 101 CO 0.89 0.37 0.00 0.61 -0.62 0.00 0.00 178.44 179.69 3dc7 n GLY 102 N -0.51 -0.36 3.38 3.75 0.00 -1.26 -1.93 105.19 108.25 3dc7 n GLY 102 Ca -0.05 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 3dc7 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dc7 s GLN 103 N 0.00 1.21 -0.15 1.61 -2.07 -1.26 -4.91 119.66 114.08 3dc7 s GLN 103 Ca 0.00 -1.13 -0.35 0.00 -1.82 0.00 0.00 55.36 52.06 3dc7 s GLN 103 Cb 0.00 0.40 -0.12 0.00 -1.09 0.00 0.00 33.01 32.20 3dc7 s GLN 103 CO 0.00 -0.46 1.91 0.98 -1.32 0.00 0.00 175.29 176.40 3dc7 n TYR 104 N -0.24 2.20 0.00 9.60 9.36 -1.26 -1.72 117.16 135.10 3dc7 n TYR 104 Ca -0.07 0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.25 3dc7 n TYR 104 Cb 0.63 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 3dc7 n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dc7 n GLY 105 N 4.65 0.97 3.77 2.98 0.00 -1.26 -5.10 105.19 111.20 3dc7 n GLY 105 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 3dc7 n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dc7 s ASP 106 N -1.51 6.27 -0.09 1.61 1.01 -0.70 -4.95 116.67 118.31 3dc7 s ASP 106 Ca 0.00 2.62 0.18 0.00 0.71 0.00 0.00 52.55 56.06 3dc7 s ASP 106 Cb 0.00 -2.63 0.40 0.00 1.01 0.00 0.00 42.92 41.69 3dc7 s ASP 106 CO 0.00 -0.87 1.18 0.00 0.21 0.00 0.00 175.17 175.69 3dc7 n ASP 108 N -0.26 0.00 0.00 0.00 -0.08 -1.26 -4.94 116.55 110.01 3dc7 n ASP 108 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3dc7 n ASP 108 Cb 0.92 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.38 3dc7 n ASP 108 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3dc7 n THR 110 N 0.00 0.00 -4.27 5.18 -2.24 -1.26 -3.34 114.28 108.35 3dc7 n THR 110 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 3dc7 n THR 110 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 3dc7 n THR 110 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dc7 s THR 111 N -0.29 3.33 0.17 4.28 -4.23 -1.26 -4.38 115.64 113.26 3dc7 s THR 111 Ca 0.00 -1.63 -0.13 0.00 -1.18 0.00 0.00 61.69 58.75 3dc7 s THR 111 Cb 0.00 -2.67 0.06 0.00 1.34 0.00 0.00 72.50 71.24 3dc7 s THR 111 CO 0.00 -0.13 1.78 0.15 -0.54 0.00 0.00 174.62 175.87 3dc7 h PHE 112 N 2.77 0.76 -0.24 3.99 3.57 -0.69 0.16 116.94 127.26 3dc7 h PHE 112 Ca -0.46 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.03 3dc7 h PHE 112 Cb 1.21 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3dc7 h PHE 112 CO 0.65 0.56 0.10 1.88 -2.23 0.00 0.00 178.31 179.27 3dc7 h TYR 113 N 0.74 0.18 -0.57 0.41 0.05 -1.66 -1.05 116.97 115.07 3dc7 h TYR 113 Ca 0.19 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.89 3dc7 h TYR 113 Cb 0.06 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3dc7 h TYR 113 CO -0.01 0.09 -0.03 0.78 -1.05 0.00 0.00 178.16 177.94 3dc7 h GLY 114 N 0.22 1.10 1.00 3.88 0.00 -1.61 -3.09 103.07 104.57 3dc7 h GLY 114 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3dc7 h GLY 114 CO -0.09 0.77 0.34 0.00 0.00 0.00 0.00 176.54 177.56 3dc7 h ALA 115 N 0.96 0.69 -0.00 3.60 0.00 -0.53 -3.37 119.26 120.60 3dc7 h ALA 115 Ca 0.16 -0.05 -0.43 0.00 0.00 0.00 0.00 54.91 54.58 3dc7 h ALA 115 Cb 0.59 -0.22 0.11 0.00 0.00 0.00 0.00 17.79 18.27 3dc7 h ALA 115 CO 0.04 0.15 1.13 1.28 0.00 0.00 0.00 179.25 181.85 3dc7 n LEU 116 N -4.69 0.51 0.00 0.00 4.32 -0.41 -4.62 117.00 112.11 3dc7 n LEU 116 Ca 0.03 -1.28 0.00 0.00 -0.02 0.00 0.00 56.01 54.74 3dc7 n LEU 116 Cb 0.04 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 3dc7 n LEU 116 CO 0.36 -1.80 0.00 -0.11 -1.22 0.00 0.00 177.39 174.62 3dc7 n LEU 119 N 7.90 0.00 -0.02 2.23 7.94 -1.26 -4.49 117.00 129.30 3dc7 n LEU 119 Ca 0.35 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.24 3dc7 n LEU 119 Cb 0.38 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.59 3dc7 n LEU 119 CO 0.96 0.00 0.90 -0.07 -1.11 0.00 0.00 177.39 178.07 3dc7 h LEU 120 N 0.00 0.53 -0.17 -1.96 3.38 -1.97 -1.12 115.31 114.01 3dc7 h LEU 120 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dc7 h LEU 120 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3dc7 h LEU 120 CO 0.00 0.62 0.10 0.74 0.09 0.00 0.00 178.44 179.99 3dc7 h THR 121 N 0.53 1.08 -0.35 0.22 2.02 -1.95 -2.42 112.91 112.04 3dc7 h THR 121 Ca 0.11 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3dc7 h THR 121 Cb 0.39 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3dc7 h THR 121 CO 0.02 0.07 0.05 1.23 0.37 0.00 0.00 175.52 177.26 3dc7 h GLY 122 N 0.19 0.56 0.94 2.16 0.00 -1.83 -1.58 103.07 103.51 3dc7 h GLY 122 Ca 0.06 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 3dc7 h GLY 122 CO -0.01 0.29 -0.26 1.41 0.00 0.00 0.00 176.54 177.96 3dc7 h LEU 123 N 0.51 0.71 0.00 3.11 3.38 -1.07 -2.65 115.31 119.29 3dc7 h LEU 123 Ca 0.12 -0.47 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 3dc7 h LEU 123 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3dc7 h LEU 123 CO 0.00 1.03 -0.73 1.56 0.09 0.00 0.00 178.44 180.39 3dc7 h GLN 124 N 0.39 0.00 -0.04 1.13 1.08 -1.33 -1.15 115.11 115.20 3dc7 h GLN 124 Ca 0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3dc7 h GLN 124 Cb 0.83 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.26 3dc7 h GLN 124 CO 0.07 0.64 -0.02 1.15 -0.95 0.00 0.00 178.83 179.72 3dc7 h THR 125 N 0.00 1.32 0.00 -0.54 2.02 -1.33 -3.17 112.91 111.20 3dc7 h THR 125 Ca -0.02 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 3dc7 h THR 125 Cb 1.52 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 3dc7 h THR 125 CO 0.08 0.27 -1.39 0.59 0.37 0.00 0.00 175.52 175.43 3dc7 n ASN 126 N -4.83 0.60 -3.11 4.18 3.02 -1.00 -4.24 115.26 109.87 3dc7 n ASN 126 Ca -0.07 0.24 -0.23 0.00 -0.03 0.00 0.00 54.58 54.49 3dc7 n ASN 126 Cb 0.23 0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 40.18 3dc7 n ASN 126 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3dc7 n TRP 127 N -2.61 1.87 0.16 3.10 8.01 -0.44 -4.97 117.44 122.57 3dc7 n TRP 127 Ca -0.04 -3.89 0.14 0.00 -1.31 0.00 0.00 57.50 52.39 3dc7 n TRP 127 Cb 0.63 -0.45 0.69 0.00 -2.01 0.00 0.00 31.31 30.17 3dc7 n TRP 127 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3dc7 h PRO 128 N 3.18 0.00 -0.19 -0.99 0.13 -1.72 -2.74 132.00 129.67 3dc7 h PRO 128 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3dc7 h PRO 128 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3dc7 h PRO 128 CO 0.64 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.66 3dc7 n THR 129 N -4.37 0.26 -3.45 1.56 -2.24 -1.26 -4.96 114.28 99.81 3dc7 n THR 129 Ca 0.02 -0.63 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 3dc7 n THR 129 Cb 0.30 1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.64 3dc7 n THR 129 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dc7 s VAL 130 N -1.58 5.23 0.23 2.28 1.01 -1.03 -5.04 120.40 121.49 3dc7 s VAL 130 Ca 0.30 0.50 -0.32 0.00 0.00 0.00 0.00 61.98 62.47 3dc7 s VAL 130 Cb 0.19 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 3dc7 s VAL 130 CO 0.28 0.23 1.53 -0.81 0.00 0.00 0.00 175.10 176.33 3dc7 n PRO 131 N 4.88 2.32 -3.83 2.72 -0.04 -1.26 -4.86 135.00 134.93 3dc7 n PRO 131 Ca -0.10 0.83 -0.09 0.00 -0.04 0.00 0.00 63.50 64.09 3dc7 n PRO 131 Cb 0.51 -2.57 -0.07 0.00 -0.04 0.00 0.00 33.50 31.33 3dc7 n PRO 131 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3dc7 s LYS 132 N 0.08 0.82 -0.04 0.54 -2.85 -1.26 -2.04 119.74 115.00 3dc7 s LYS 132 Ca 0.71 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.97 54.67 3dc7 s LYS 132 Cb -0.60 0.34 0.03 0.00 -2.06 0.00 0.00 37.83 35.54 3dc7 s LYS 132 CO 0.44 -0.26 0.38 -0.48 0.10 0.00 0.00 175.35 175.53 3dc7 s LEU 133 N -2.64 0.56 -0.09 2.77 0.05 -0.71 -4.20 118.68 114.42 3dc7 s LEU 133 Ca 0.02 0.30 -0.12 0.00 0.05 0.00 0.00 54.13 54.38 3dc7 s LEU 133 Cb 0.03 1.48 -0.05 0.00 -2.05 0.00 0.00 46.19 45.60 3dc7 s LEU 133 CO -0.09 -0.42 0.29 0.12 -0.55 0.00 0.00 176.35 175.70 3dc7 s PHE 134 N -1.05 3.59 -0.18 3.48 5.36 -0.63 -1.28 117.98 127.27 3dc7 s PHE 134 Ca -0.11 0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 56.55 3dc7 s PHE 134 Cb -0.04 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.43 3dc7 s PHE 134 CO 0.04 0.52 -0.09 0.42 -1.46 0.00 0.00 175.22 174.66 3dc7 s ILE 135 N -0.50 3.13 -0.01 3.12 1.01 0.11 -0.21 121.20 127.84 3dc7 s ILE 135 Ca 0.18 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.07 3dc7 s ILE 135 Cb -0.14 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 3dc7 s ILE 135 CO 0.07 0.47 0.48 -0.44 0.00 0.00 0.00 174.94 175.52 3dc7 s SER 136 N 1.04 6.86 0.68 3.58 0.01 0.34 -3.55 113.70 122.67 3dc7 s SER 136 Ca -0.00 1.03 -0.12 0.00 1.31 0.00 0.00 55.95 58.16 3dc7 s SER 136 Cb -0.15 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.79 3dc7 s SER 136 CO -0.01 0.23 1.07 0.00 0.41 0.00 0.00 173.24 174.93 3dc7 s ALA 137 N -0.65 2.60 0.58 1.44 0.00 -1.26 -1.54 121.76 122.92 3dc7 s ALA 137 Ca 0.26 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.24 3dc7 s ALA 137 Cb -0.17 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3dc7 s ALA 137 CO 0.14 -1.23 1.25 -0.89 0.00 0.00 0.00 175.76 175.03 3dc7 n ILE 138 N -2.90 4.03 -1.68 0.00 5.41 -1.26 -2.41 119.36 120.55 3dc7 n ILE 138 Ca 0.08 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.91 3dc7 n ILE 138 Cb 0.53 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.93 3dc7 n ILE 138 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3dc7 s HIS 139 N -1.35 1.86 0.43 1.39 5.65 -1.26 -4.88 115.29 117.13 3dc7 s HIS 139 Ca 0.75 -0.19 -0.05 0.00 0.25 0.00 0.00 55.06 55.82 3dc7 s HIS 139 Cb -0.42 -4.22 -0.04 0.00 -1.18 0.00 0.00 32.58 26.73 3dc7 s HIS 139 CO 0.47 -5.17 0.73 0.96 -0.65 0.00 0.00 174.74 171.08 3dc7 s ILE 140 N 3.27 4.93 0.00 0.89 -4.36 -1.26 -0.36 121.20 124.30 3dc7 s ILE 140 Ca 0.84 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 61.39 3dc7 s ILE 140 Cb -0.46 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 39.42 3dc7 s ILE 140 CO 0.38 -0.71 0.00 0.61 0.24 0.00 0.00 174.94 175.46 3dc7 n GLY 141 N -1.93 0.75 0.44 6.27 0.00 -0.49 -3.76 105.19 106.47 3dc7 n GLY 141 Ca -0.00 -1.88 0.05 0.00 0.00 0.00 0.00 46.02 44.19 3dc7 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dc7 n SER 142 N -0.54 2.17 0.20 1.61 7.64 -1.26 -3.29 113.62 120.15 3dc7 n SER 142 Ca 0.00 -1.63 0.07 0.00 1.01 0.00 0.00 58.87 58.32 3dc7 n SER 142 Cb 0.00 -0.08 0.42 0.00 -1.01 0.00 0.00 64.21 63.55 3dc7 n SER 142 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3dc7 h ASP 143 N 1.81 0.00 0.66 6.43 3.58 -1.79 -3.10 116.42 124.01 3dc7 h ASP 143 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 3dc7 h ASP 143 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 3dc7 h ASP 143 CO 0.00 0.31 -0.22 0.15 -2.88 0.00 0.00 179.24 176.60 3dc7 h PHE 144 N 0.00 0.00 0.00 0.28 3.57 -1.78 -3.49 116.94 115.52 3dc7 h PHE 144 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3dc7 h PHE 144 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3dc7 h PHE 144 CO 0.00 0.22 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 3dc7 n GLY 145 N -0.20 -2.29 7.00 2.40 0.00 -1.17 -4.97 105.19 105.95 3dc7 n GLY 145 Ca -0.01 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3dc7 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dc7 n GLY 146 N -0.04 2.88 0.41 -0.02 0.00 -1.26 -1.02 105.19 106.15 3dc7 n GLY 146 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.96 3dc7 n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dc7 n SER 147 N 2.16 1.23 -4.24 1.61 7.64 -1.25 -4.63 113.62 116.16 3dc7 n SER 147 Ca 0.00 -1.72 -0.43 0.00 1.01 0.00 0.00 58.87 57.73 3dc7 n SER 147 Cb 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3dc7 n SER 147 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3dc7 n PHE 148 N 0.07 4.21 -4.43 1.43 3.72 -0.18 -4.36 117.46 117.91 3dc7 n PHE 148 Ca 0.14 -2.92 -0.31 0.00 -0.05 0.00 0.00 57.45 54.31 3dc7 n PHE 148 Cb 0.24 -2.55 -0.11 0.00 -0.94 0.00 0.00 39.48 36.13 3dc7 n PHE 148 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dc7 s SER 149 N 3.61 4.28 0.16 4.37 0.15 -1.26 -4.14 113.70 120.86 3dc7 s SER 149 Ca 0.50 -0.33 0.19 0.00 0.70 0.00 0.00 55.95 57.01 3dc7 s SER 149 Cb 0.07 -0.84 0.81 0.00 -1.71 0.00 0.00 66.02 64.36 3dc7 s SER 149 CO 0.01 0.23 1.58 0.00 1.20 0.00 0.00 173.24 176.26 3dc7 n ALA 150 N 1.22 1.58 -1.25 5.45 0.00 -1.21 -4.48 120.51 121.83 3dc7 n ALA 150 Ca -0.15 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3dc7 n ALA 150 Cb 0.52 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3dc7 n ALA 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dc7 n VAL 151 N -1.94 0.00 -4.19 0.00 0.31 -1.26 -4.95 118.33 106.30 3dc7 n VAL 151 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 3dc7 n VAL 151 Cb 0.18 -0.81 -0.10 0.00 -0.91 0.00 0.00 33.84 32.21 3dc7 n VAL 151 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dc7 s THR 152 N 0.00 0.65 0.01 2.52 -4.23 -1.26 -4.47 115.64 108.86 3dc7 s THR 152 Ca 0.00 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3dc7 s THR 152 Cb 0.00 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.99 3dc7 s THR 152 CO 0.00 -0.72 0.02 -0.46 -0.54 0.00 0.00 174.62 172.92 3dc7 n ASN 153 N -0.11 0.01 0.05 3.99 0.23 -0.48 -4.51 115.26 114.43 3dc7 n ASN 153 Ca -0.10 -1.01 0.10 0.00 -0.53 0.00 0.00 54.58 53.04 3dc7 n ASN 153 Cb 0.62 -0.01 0.41 0.00 -2.08 0.00 0.00 39.78 38.71 3dc7 n ASN 153 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dc7 n GLY 154 N 4.87 -1.19 0.75 4.83 0.00 -1.26 -1.98 105.19 111.21 3dc7 n GLY 154 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3dc7 n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dc7 n LEU 155 N -1.81 2.55 0.00 0.99 4.77 -1.26 -4.97 117.00 117.27 3dc7 n LEU 155 Ca 0.03 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 3dc7 n LEU 155 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3dc7 n LEU 155 CO 0.18 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3dc7 n GLY 156 N 1.32 0.75 3.86 -0.72 0.00 -0.84 -5.06 105.19 104.50 3dc7 n GLY 156 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3dc7 n GLY 156 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dc7 s TYR 157 N -2.30 3.47 0.51 1.61 2.02 -1.26 -4.81 117.35 116.59 3dc7 s TYR 157 Ca 0.00 0.95 -0.11 0.00 -0.37 0.00 0.00 57.07 57.54 3dc7 s TYR 157 Cb 0.00 -2.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.19 3dc7 s TYR 157 CO 0.00 0.29 0.90 1.03 -1.57 0.00 0.00 175.55 176.21 3dc7 s ARG 158 N -2.62 3.72 0.38 -0.62 0.52 -1.26 -1.39 118.95 117.68 3dc7 s ARG 158 Ca 0.46 0.61 0.04 0.00 -0.52 0.00 0.00 55.73 56.32 3dc7 s ARG 158 Cb -0.12 -2.23 0.74 0.00 0.52 0.00 0.00 34.95 33.85 3dc7 s ARG 158 CO 0.20 -0.29 2.03 0.37 0.02 0.00 0.00 175.30 177.63 3dc7 h GLN 159 N 0.49 0.71 0.00 3.54 4.15 -1.91 -2.08 115.11 120.00 3dc7 h GLN 159 Ca -0.46 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 3dc7 h GLN 159 Cb 1.19 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 3dc7 h GLN 159 CO 0.62 0.47 -0.02 0.66 -1.93 0.00 0.00 178.83 178.63 3dc7 h SER 160 N 0.73 0.00 -0.18 -0.69 4.64 -1.95 -1.79 113.55 114.31 3dc7 h SER 160 Ca 0.21 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.33 3dc7 h SER 160 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3dc7 h SER 160 CO -0.05 0.02 -0.62 0.44 -0.87 0.00 0.00 176.83 175.75 3dc7 h ASP 161 N 0.00 0.90 -0.37 4.97 3.32 -1.76 -0.91 116.42 122.58 3dc7 h ASP 161 Ca -0.00 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 3dc7 h ASP 161 Cb 0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3dc7 h ASP 161 CO 0.00 1.30 -0.16 1.88 -1.72 0.00 0.00 179.24 180.54 3dc7 h TYR 162 N 0.59 0.87 -0.37 4.55 -1.99 -1.50 -2.21 116.97 116.91 3dc7 h TYR 162 Ca -0.01 -0.21 0.08 0.00 2.00 0.00 0.00 58.73 60.59 3dc7 h TYR 162 Cb 1.23 -0.20 -0.08 0.00 2.00 0.00 0.00 36.73 39.68 3dc7 h TYR 162 CO 0.07 0.94 -0.13 1.49 -0.00 0.00 0.00 178.16 180.53 3dc7 h GLU 163 N 0.55 -0.05 -0.87 4.88 4.57 -1.30 -1.29 114.58 121.06 3dc7 h GLU 163 Ca 0.08 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3dc7 h GLU 163 Cb 0.70 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 3dc7 h GLU 163 CO 0.05 -0.04 0.44 0.00 -1.18 0.00 0.00 179.01 178.28 3dc7 h ALA 164 N 1.28 1.14 -0.27 2.92 0.00 -1.09 -0.90 119.26 122.33 3dc7 h ALA 164 Ca 0.18 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3dc7 h ALA 164 Cb 0.34 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3dc7 h ALA 164 CO -0.42 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 3dc7 h ALA 165 N 1.25 0.22 -0.22 0.00 0.00 -0.93 0.11 119.26 119.69 3dc7 h ALA 165 Ca 0.30 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.33 3dc7 h ALA 165 Cb 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dc7 h ALA 165 CO -0.04 -0.43 0.05 0.82 0.00 0.00 0.00 179.25 179.65 3dc7 h ILE 166 N 0.05 0.91 -0.67 0.00 2.04 -0.83 -2.85 117.51 116.17 3dc7 h ILE 166 Ca 0.13 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.96 3dc7 h ILE 166 Cb 0.18 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3dc7 h ILE 166 CO -0.24 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.36 3dc7 h ALA 167 N 1.15 0.86 0.00 1.87 0.00 -0.79 -0.78 119.26 121.57 3dc7 h ALA 167 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dc7 h ALA 167 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3dc7 h ALA 167 CO -0.12 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.40 3dc7 n GLN 168 N -4.65 0.29 0.00 0.00 6.02 0.36 -2.75 117.38 116.65 3dc7 n GLN 168 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3dc7 n GLN 168 Cb 0.05 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3dc7 n GLN 168 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dc7 n THR 170 N 0.01 0.00 -0.21 5.09 -2.24 -0.30 -2.87 114.28 113.76 3dc7 n THR 170 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3dc7 n THR 170 Cb 0.04 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.37 3dc7 n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dc7 h ALA 171 N 0.00 0.84 0.00 6.98 0.00 -1.74 -0.67 119.26 124.67 3dc7 h ALA 171 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dc7 h ALA 171 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dc7 h ALA 171 CO 0.00 -0.04 -0.02 -0.44 0.00 0.00 0.00 179.25 178.74 3dc7 h ASP 172 N 0.58 0.00 -0.07 0.00 3.32 -1.83 -2.76 116.42 115.66 3dc7 h ASP 172 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3dc7 h ASP 172 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3dc7 h ASP 172 CO -0.21 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.11 3dc7 n TYR 173 N -3.45 0.07 -1.81 4.55 4.02 -0.70 -4.98 117.16 114.85 3dc7 n TYR 173 Ca -0.03 -0.06 -0.08 0.00 -0.01 0.00 0.00 57.90 57.73 3dc7 n TYR 173 Cb 0.12 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.43 3dc7 n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dc7 n GLY 174 N 0.87 0.38 3.50 2.72 0.00 -0.62 -5.00 105.19 107.04 3dc7 n GLY 174 Ca 0.10 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 3dc7 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dc7 s VAL 175 N -2.35 4.93 0.33 1.61 1.01 -0.35 -5.02 120.40 120.55 3dc7 s VAL 175 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 3dc7 s VAL 175 Cb 0.00 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 3dc7 s VAL 175 CO 0.00 0.11 1.14 -2.65 0.00 0.00 0.00 175.10 173.71 3dc7 n PRO 176 N 5.03 1.73 -4.09 2.72 -0.02 -1.26 -4.50 135.00 134.60 3dc7 n PRO 176 Ca -0.14 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 3dc7 n PRO 176 Cb 0.50 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 3dc7 n PRO 176 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3dc7 s HIS 177 N -1.10 2.93 -0.47 6.00 2.46 -1.26 -1.61 115.29 122.24 3dc7 s HIS 177 Ca 0.57 -1.90 -0.21 0.00 0.47 0.00 0.00 55.06 53.99 3dc7 s HIS 177 Cb -0.62 -1.89 0.04 0.00 -0.13 0.00 0.00 32.58 29.97 3dc7 s HIS 177 CO 0.61 -0.83 0.68 -1.17 -2.47 0.00 0.00 174.74 171.56 3dc7 s LEU 178 N 1.23 4.58 -0.85 8.88 2.96 0.70 -4.99 118.68 131.19 3dc7 s LEU 178 Ca -0.01 -0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 53.20 3dc7 s LEU 178 Cb -0.16 -2.66 0.12 0.00 0.50 0.00 0.00 46.19 43.99 3dc7 s LEU 178 CO -0.09 -0.87 1.05 -0.55 -1.32 0.00 0.00 176.35 174.56 3dc7 s SER 179 N 2.31 6.52 0.36 3.68 0.15 -1.26 -0.50 113.70 124.95 3dc7 s SER 179 Ca 0.22 -1.84 0.04 0.00 0.70 0.00 0.00 55.95 55.07 3dc7 s SER 179 Cb -0.15 -2.39 0.67 0.00 -1.71 0.00 0.00 66.02 62.44 3dc7 s SER 179 CO 0.17 -1.11 1.96 -0.07 1.20 0.00 0.00 173.24 175.39 3dc7 h LEU 180 N 10.42 0.58 -0.68 3.45 3.38 -1.54 -0.72 115.31 130.19 3dc7 h LEU 180 Ca 0.04 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3dc7 h LEU 180 Cb 1.04 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 3dc7 h LEU 180 CO 1.10 0.51 -0.43 0.22 0.09 0.00 0.00 178.44 179.94 3dc7 h TYR 181 N 0.65 -1.25 0.00 1.13 5.03 -1.42 0.16 116.97 121.27 3dc7 h TYR 181 Ca 0.16 0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.56 3dc7 h TYR 181 Cb 0.09 0.64 0.00 0.00 1.55 0.00 0.00 36.73 39.02 3dc7 h TYR 181 CO 0.01 -0.41 -0.77 0.07 -1.32 0.00 0.00 178.16 175.73 3dc7 h ARG 182 N -0.16 0.00 0.00 1.82 -0.00 -1.83 -3.42 114.38 110.78 3dc7 h ARG 182 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.19 3dc7 h ARG 182 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 3dc7 h ARG 182 CO -0.76 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 178.96 3dc7 n ASP 183 N -2.33 0.41 0.31 0.08 8.00 -0.30 -4.76 116.55 117.97 3dc7 n ASP 183 Ca 0.02 -0.76 0.20 0.00 0.71 0.00 0.00 54.79 54.96 3dc7 n ASP 183 Cb 0.48 0.22 1.01 0.00 -0.02 0.00 0.00 41.12 42.81 3dc7 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dc7 h ALA 184 N 0.00 1.06 0.00 2.24 0.00 -0.84 -3.48 119.26 118.24 3dc7 h ALA 184 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dc7 h ALA 184 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dc7 h ALA 184 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3dc7 n GLY 185 N -0.74 0.65 3.64 0.00 0.00 -1.26 -4.99 105.19 102.48 3dc7 n GLY 185 Ca -0.02 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 3dc7 n GLY 185 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dc7 s THR 187 N -2.00 0.00 -1.16 2.61 -1.32 -1.26 -5.18 115.64 107.33 3dc7 s THR 187 Ca 0.00 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.77 3dc7 s THR 187 Cb 0.00 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.33 3dc7 s THR 187 CO 0.00 0.00 1.96 0.49 -2.21 0.00 0.00 174.62 174.86 3dc7 n PHE 188 N 2.75 0.00 0.30 9.09 3.72 0.51 -2.97 117.46 130.86 3dc7 n PHE 188 Ca -0.15 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.43 3dc7 n PHE 188 Cb 0.56 -0.42 0.74 0.00 -0.94 0.00 0.00 39.48 39.43 3dc7 n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dc7 h ALA 189 N 3.14 1.00 -2.67 4.37 0.00 -1.65 -3.20 119.26 120.26 3dc7 h ALA 189 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3dc7 h ALA 189 Cb 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.03 3dc7 h ALA 189 CO 0.00 0.00 -0.33 0.42 0.00 0.00 0.00 179.25 179.34 3dc7 s ILE 190 N -3.69 5.20 0.27 0.00 -1.09 -1.16 -4.91 121.20 115.83 3dc7 s ILE 190 Ca 0.01 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.52 3dc7 s ILE 190 Cb 0.10 -3.75 0.27 0.00 -1.58 0.00 0.00 42.46 37.49 3dc7 s ILE 190 CO 0.49 -0.00 1.87 -0.65 -1.23 0.00 0.00 174.94 175.41 3dc7 h PRO 191 N 8.41 1.09 -0.84 2.79 0.11 -1.87 -0.01 132.00 141.67 3dc7 h PRO 191 Ca -0.31 -0.07 0.13 0.00 0.11 0.00 0.00 66.00 65.87 3dc7 h PRO 191 Cb 1.15 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 3dc7 h PRO 191 CO 0.66 0.72 0.55 0.00 -0.21 0.00 0.00 178.00 179.72 3dc7 h ALA 192 N 1.47 1.87 0.12 -0.75 0.00 -1.94 0.51 119.26 120.54 3dc7 h ALA 192 Ca 0.44 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.02 3dc7 h ALA 192 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dc7 h ALA 192 CO -0.19 -0.09 -1.77 1.96 0.00 0.00 0.00 179.25 179.15 3dc7 h GLN 193 N 0.64 0.25 -0.66 0.00 4.20 -1.63 -3.29 115.11 114.63 3dc7 h GLN 193 Ca 0.41 -0.43 0.03 0.00 0.06 0.00 0.00 58.65 58.73 3dc7 h GLN 193 Cb 0.69 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3dc7 h GLN 193 CO -0.17 1.10 0.43 0.00 -0.67 0.00 0.00 178.83 179.52 3dc7 h ALA 194 N 0.34 1.62 0.00 3.87 0.00 -0.77 -0.19 119.26 124.13 3dc7 h ALA 194 Ca -0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3dc7 h ALA 194 Cb 2.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3dc7 h ALA 194 CO 0.13 0.31 -0.16 0.00 0.00 0.00 0.00 179.25 179.53 3dc7 h ALA 195 N 1.61 1.16 0.05 0.00 0.00 -1.01 -2.10 119.26 118.98 3dc7 h ALA 195 Ca 0.26 -0.15 -0.38 0.00 0.00 0.00 0.00 54.91 54.64 3dc7 h ALA 195 Cb 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3dc7 h ALA 195 CO -0.07 0.20 -2.26 -0.89 0.00 0.00 0.00 179.25 176.24 3dc7 n ILE 196 N -3.52 1.62 0.36 0.00 5.41 -0.81 -4.68 119.36 117.74 3dc7 n ILE 196 Ca -0.01 -0.62 0.04 0.00 1.00 0.00 0.00 62.75 63.16 3dc7 n ILE 196 Cb 0.32 -1.54 0.01 0.00 -0.71 0.00 0.00 39.64 37.72 3dc7 n ILE 196 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3dc7 n TYR 197 N -3.35 0.00 -4.29 1.39 4.01 -0.15 -4.69 117.16 110.09 3dc7 n TYR 197 Ca -0.39 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.19 3dc7 n TYR 197 Cb 1.02 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.95 3dc7 n TYR 197 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3dc7 s SER 198 N -1.10 2.03 0.06 7.72 1.04 -0.79 -1.06 113.70 121.59 3dc7 s SER 198 Ca 0.07 -1.06 0.06 0.00 0.48 0.00 0.00 55.95 55.51 3dc7 s SER 198 Cb 0.07 -0.04 -0.23 0.00 0.10 0.00 0.00 66.02 65.91 3dc7 s SER 198 CO 0.19 -0.32 1.04 0.58 0.98 0.00 0.00 173.24 175.70 3dc7 h VAL 199 N 2.65 1.39 0.00 5.02 2.07 -0.47 -3.41 116.25 123.49 3dc7 h VAL 199 Ca -0.37 -3.11 -0.03 0.00 0.82 0.00 0.00 66.70 64.00 3dc7 h VAL 199 Cb 1.20 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 3dc7 h VAL 199 CO 0.63 0.82 -0.07 -0.90 0.02 0.00 0.00 177.57 178.07 3dc7 n ASP 200 N -3.31 -0.25 0.00 0.57 5.68 -1.26 -4.99 116.55 113.00 3dc7 n ASP 200 Ca -0.08 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 3dc7 n ASP 200 Cb 0.99 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.05 3dc7 n ASP 200 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3dc7 n THR 201 N 0.00 0.00 0.01 2.12 -2.24 -1.26 -3.54 114.28 109.36 3dc7 n THR 201 Ca -0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 3dc7 n THR 201 Cb 0.50 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3dc7 n THR 201 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3dc7 n LEU 202 N 0.00 0.42 -4.68 3.22 7.94 -1.26 -1.40 117.00 121.24 3dc7 n LEU 202 Ca 0.00 0.06 -0.38 0.00 -1.11 0.00 0.00 56.01 54.58 3dc7 n LEU 202 Cb 0.00 -0.14 -0.07 0.00 0.53 0.00 0.00 43.42 43.74 3dc7 n LEU 202 CO 0.00 -0.21 0.08 -1.00 -1.11 0.00 0.00 177.39 175.15 3dc7 s HIS 203 N -2.03 3.40 0.48 1.96 3.76 -1.26 -4.99 115.29 116.61 3dc7 s HIS 203 Ca -0.02 0.62 -0.24 0.00 -0.15 0.00 0.00 55.06 55.28 3dc7 s HIS 203 Cb 0.01 -2.49 -0.08 0.00 1.11 0.00 0.00 32.58 31.12 3dc7 s HIS 203 CO 0.02 0.04 1.27 -2.30 -0.85 0.00 0.00 174.74 172.93 3dc7 n PRO 204 N 4.28 1.77 -1.22 8.40 -0.02 -1.26 0.20 135.00 147.14 3dc7 n PRO 204 Ca -0.09 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 3dc7 n PRO 204 Cb 0.51 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.63 3dc7 n PRO 204 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3dc7 n ASN 205 N -0.28 0.38 -0.09 2.55 2.04 -0.23 -4.47 115.26 115.16 3dc7 n ASN 205 Ca 0.08 -1.38 0.10 0.00 -0.44 0.00 0.00 54.58 52.94 3dc7 n ASN 205 Cb 0.42 -0.34 0.46 0.00 -2.53 0.00 0.00 39.78 37.80 3dc7 n ASN 205 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 3dc7 h ASN 206 N -0.44 0.44 -0.33 0.53 2.35 -1.88 0.29 115.58 116.55 3dc7 h ASN 206 Ca -0.16 0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.43 3dc7 h ASN 206 Cb 0.52 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3dc7 h ASN 206 CO 0.14 0.27 -0.45 0.00 -1.65 0.00 0.00 177.43 175.75 3dc7 h ALA 207 N 1.69 0.55 -0.91 -0.83 0.00 -1.87 -2.25 119.26 115.63 3dc7 h ALA 207 Ca 0.27 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3dc7 h ALA 207 Cb 0.43 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3dc7 h ALA 207 CO -0.08 0.68 0.55 0.78 0.00 0.00 0.00 179.25 181.18 3dc7 h GLY 208 N 0.76 1.33 1.96 0.00 0.00 -1.25 -2.62 103.07 103.25 3dc7 h GLY 208 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 3dc7 h GLY 208 CO 0.11 0.54 -0.30 0.45 0.00 0.00 0.00 176.54 177.33 3dc7 h HIS 209 N 1.26 0.06 -0.44 5.60 -0.00 -0.83 -1.82 115.15 118.98 3dc7 h HIS 209 Ca 0.33 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.60 3dc7 h HIS 209 Cb -0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 3dc7 h HIS 209 CO 0.00 0.35 -0.06 -0.09 -0.00 0.00 0.00 177.93 178.13 3dc7 h ARG 210 N 0.05 0.83 -0.10 2.45 9.65 -1.15 -1.01 114.38 125.09 3dc7 h ARG 210 Ca 0.01 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3dc7 h ARG 210 Cb 0.56 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3dc7 h ARG 210 CO 0.04 0.92 0.07 0.28 2.80 0.00 0.00 179.97 184.07 3dc7 h VAL 211 N 0.66 1.03 0.03 0.20 2.07 -1.11 -1.41 116.25 117.72 3dc7 h VAL 211 Ca 0.12 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3dc7 h VAL 211 Cb 0.58 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3dc7 h VAL 211 CO 0.03 0.03 -0.21 0.40 0.02 0.00 0.00 177.57 177.84 3dc7 h ILE 212 N 0.14 0.51 -1.00 4.57 2.04 -1.28 -0.91 117.51 121.58 3dc7 h ILE 212 Ca 0.04 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.09 3dc7 h ILE 212 Cb -0.01 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 36.48 3dc7 h ILE 212 CO -0.01 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.76 3dc7 h ALA 213 N 0.51 1.72 -0.19 1.87 0.00 -1.12 0.13 119.26 122.18 3dc7 h ALA 213 Ca 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dc7 h ALA 213 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dc7 h ALA 213 CO -0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 179.25 178.97 3dc7 h ARG 214 N 0.74 0.35 -0.61 0.00 3.08 -0.51 -1.45 114.38 115.98 3dc7 h ARG 214 Ca 0.57 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.42 3dc7 h ARG 214 Cb 0.92 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3dc7 h ARG 214 CO -0.36 0.57 0.09 0.87 -1.07 0.00 0.00 179.97 180.08 3dc7 h LYS 215 N 0.09 1.01 0.23 0.04 1.79 -0.47 -1.95 116.57 117.29 3dc7 h LYS 215 Ca 0.05 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 3dc7 h LYS 215 Cb 0.43 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3dc7 h LYS 215 CO 0.01 0.95 -0.11 1.25 -1.08 0.00 0.00 179.45 180.48 3dc7 h LEU 216 N 0.91 -0.26 -0.74 2.94 5.85 -0.78 -0.95 115.31 122.29 3dc7 h LEU 216 Ca 0.18 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.98 3dc7 h LEU 216 Cb 0.44 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3dc7 h LEU 216 CO 0.01 -0.17 0.40 -0.61 -0.34 0.00 0.00 178.44 177.74 3dc7 h GLN 217 N -0.32 0.66 0.00 1.25 5.75 -1.15 0.27 115.11 121.57 3dc7 h GLN 217 Ca -0.03 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.31 3dc7 h GLN 217 Cb 0.25 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3dc7 h GLN 217 CO 0.05 0.44 -0.57 0.66 -2.65 0.00 0.00 178.83 176.76 3dc7 h SER 218 N 0.68 0.00 -0.10 -0.69 4.64 -1.28 -1.99 113.55 114.81 3dc7 h SER 218 Ca 0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3dc7 h SER 218 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3dc7 h SER 218 CO -0.25 0.57 0.04 0.15 -0.87 0.00 0.00 176.83 176.48 3dc7 h PHE 219 N 0.00 0.14 -0.28 4.77 3.57 -0.46 -2.51 116.94 122.18 3dc7 h PHE 219 Ca -0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3dc7 h PHE 219 Cb 1.28 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 3dc7 h PHE 219 CO 0.00 0.22 0.00 -0.07 -2.23 0.00 0.00 178.31 176.23 3dc7 h LEU 220 N 0.02 -0.11 -1.69 0.59 3.38 -0.90 -1.87 115.31 114.73 3dc7 h LEU 220 Ca 0.03 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.22 3dc7 h LEU 220 Cb 0.13 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3dc7 h LEU 220 CO -0.00 -0.02 0.48 0.44 0.09 0.00 0.00 178.44 179.43 3dc7 h ASP 221 N 0.08 0.28 0.65 -0.43 5.19 -1.32 -0.06 116.42 120.81 3dc7 h ASP 221 Ca 0.13 0.02 -0.22 0.00 -0.62 0.00 0.00 57.03 56.34 3dc7 h ASP 221 Cb 0.17 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3dc7 h ASP 221 CO -0.22 0.15 -0.98 0.28 -3.12 0.00 0.00 179.24 175.34 3dc7 h SER 222 N 0.30 0.27 -0.00 6.45 0.02 -0.90 -3.39 113.55 116.30 3dc7 h SER 222 Ca 0.35 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dc7 h SER 222 Cb 0.92 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3dc7 h SER 222 CO -0.09 1.10 -0.26 1.41 -1.14 0.00 0.00 176.83 177.85 3dc7 n HIS 223 N -3.59 0.00 -4.31 3.45 8.25 -0.81 -5.00 115.22 113.21 3dc7 n HIS 223 Ca -0.04 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.23 3dc7 n HIS 223 Cb 0.88 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.85 3dc7 n HIS 223 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dc7 s PHE 224 N -1.46 0.96 -1.62 4.41 0.08 -0.08 -5.07 117.98 115.19 3dc7 s PHE 224 Ca 0.04 -0.29 0.13 0.00 0.12 0.00 0.00 56.93 56.93 3dc7 s PHE 224 Cb 0.06 -0.59 0.10 0.00 -0.57 0.00 0.00 43.02 42.02 3dc7 s PHE 224 CO 0.25 -0.00 0.91 1.28 -0.10 0.00 0.00 175.22 177.56