#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmy n THR 26 N 0.00 0.00 -3.13 2.61 5.66 -1.26 -4.67 114.28 113.48 1dmy n THR 26 Ca 0.00 -0.24 -0.26 0.00 -3.05 0.00 0.00 64.05 60.50 1dmy n THR 26 Cb 0.00 0.84 -0.05 0.00 -1.55 0.00 0.00 70.33 69.57 1dmy n THR 26 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1dmy n ARG 27 N -1.40 2.76 -4.03 1.09 1.74 -1.26 -4.79 116.66 110.77 1dmy n ARG 27 Ca 0.01 -4.65 -0.30 0.00 -0.77 0.00 0.00 57.85 52.15 1dmy n ARG 27 Cb 0.21 -2.17 -0.06 0.00 -1.02 0.00 0.00 32.46 29.41 1dmy n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1dmy s GLN 28 N -2.98 2.98 0.31 5.56 -1.52 -1.26 -2.68 119.66 120.07 1dmy s GLN 28 Ca 0.45 -0.67 0.09 0.00 -1.95 0.00 0.00 55.36 53.28 1dmy s GLN 28 Cb 0.24 -2.77 -0.06 0.00 -0.22 0.00 0.00 33.01 30.19 1dmy s GLN 28 CO -0.09 0.56 -0.11 -1.12 -0.25 0.00 0.00 175.29 174.29 1dmy s SER 29 N -2.49 3.37 0.94 5.90 0.01 -1.26 -4.69 113.70 115.48 1dmy s SER 29 Ca 0.30 -1.16 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1dmy s SER 29 Cb -0.12 -0.28 0.18 0.00 0.21 0.00 0.00 66.02 66.01 1dmy s SER 29 CO 0.23 -0.20 1.29 -2.16 0.41 0.00 0.00 173.24 172.81 1dmy s PRO 30 N -3.63 0.82 0.23 12.44 0.04 -1.26 -4.69 135.00 138.95 1dmy s PRO 30 Ca 0.31 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1dmy s PRO 30 Cb 0.01 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1dmy s PRO 30 CO 0.14 -2.31 0.14 0.96 0.04 0.00 0.00 177.00 175.98 1dmy s ILE 31 N -3.79 0.08 -0.27 0.56 -4.36 -1.26 0.16 121.20 112.32 1dmy s ILE 31 Ca 0.71 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.97 1dmy s ILE 31 Cb -0.06 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 1dmy s ILE 31 CO 0.52 0.00 0.33 0.21 0.24 0.00 0.00 174.94 176.24 1dmy s ASN 32 N -3.21 6.21 -0.58 4.36 2.47 -1.26 -2.96 114.94 119.97 1dmy s ASN 32 Ca 0.39 0.23 -0.23 0.00 0.42 0.00 0.00 52.86 53.67 1dmy s ASN 32 Cb 0.06 -2.19 0.05 0.00 -1.45 0.00 0.00 41.25 37.73 1dmy s ASN 32 CO 0.14 -0.14 0.92 -0.63 -3.72 0.00 0.00 177.10 173.67 1dmy s ILE 33 N 1.93 4.41 -0.10 -5.21 1.01 0.40 -4.89 121.20 118.75 1dmy s ILE 33 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 1dmy s ILE 33 Cb -0.16 -4.56 -0.03 0.00 0.01 0.00 0.00 42.46 37.72 1dmy s ILE 33 CO 0.10 -1.19 0.04 -1.10 0.00 0.00 0.00 174.94 172.78 1dmy s GLN 34 N 3.87 3.16 0.33 2.79 -0.21 -1.26 -0.37 119.66 127.97 1dmy s GLN 34 Ca 0.26 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.31 1dmy s GLN 34 Cb -0.14 -2.91 0.57 0.00 1.00 0.00 0.00 33.01 31.52 1dmy s GLN 34 CO 0.16 0.68 1.99 -1.49 -2.12 0.00 0.00 175.29 174.51 1dmy h TRP 35 N 5.24 0.89 0.00 0.91 4.06 -1.96 -1.83 115.95 123.27 1dmy h TRP 35 Ca -0.50 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.46 1dmy h TRP 35 Cb 1.20 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 1dmy h TRP 35 CO 0.65 0.55 -0.01 1.57 -3.56 0.00 0.00 178.44 177.65 1dmy h LYS 36 N 0.95 0.00 -0.01 0.49 2.10 -2.01 -1.28 116.57 116.81 1dmy h LYS 36 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1dmy h LYS 36 Cb -0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1dmy h LYS 36 CO -0.06 0.01 -0.69 -0.25 -2.00 0.00 0.00 179.45 176.46 1dmy n ASP 37 N -3.34 1.23 -4.77 7.07 8.00 -0.69 -4.95 116.55 119.10 1dmy n ASP 37 Ca -0.03 -1.03 -0.40 0.00 0.71 0.00 0.00 54.79 54.05 1dmy n ASP 37 Cb 0.11 0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 1dmy n ASP 37 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1dmy s SER 38 N -2.80 7.32 -0.18 -2.24 0.01 -0.49 -4.04 113.70 111.29 1dmy s SER 38 Ca 0.13 1.57 -0.00 0.00 1.31 0.00 0.00 55.95 58.96 1dmy s SER 38 Cb 0.17 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.96 1dmy s SER 38 CO 0.72 0.14 -0.05 0.68 0.41 0.00 0.00 173.24 175.13 1dmy s VAL 39 N -0.73 1.17 0.16 3.43 -7.23 -0.57 -4.94 120.40 111.69 1dmy s VAL 39 Ca 0.37 -0.72 -0.32 0.00 -1.81 0.00 0.00 61.98 59.50 1dmy s VAL 39 Cb -0.22 -1.36 -0.12 0.00 0.56 0.00 0.00 36.38 35.24 1dmy s VAL 39 CO 0.25 0.09 1.73 0.00 -0.31 0.00 0.00 175.10 176.86 1dmy n TYR 40 N 4.85 2.58 -3.84 2.82 9.36 -1.26 -2.13 117.16 129.53 1dmy n TYR 40 Ca -0.12 0.04 -0.35 0.00 3.32 0.00 0.00 57.90 60.79 1dmy n TYR 40 Cb 0.47 -2.66 -0.13 0.00 -0.63 0.00 0.00 39.34 36.40 1dmy n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1dmy s ASP 41 N 1.68 5.09 0.00 2.98 2.15 -0.53 -4.85 116.67 123.19 1dmy s ASP 41 Ca 0.79 -1.70 0.20 0.00 0.43 0.00 0.00 52.55 52.27 1dmy s ASP 41 Cb -0.55 -1.77 1.17 0.00 -0.30 0.00 0.00 42.92 41.47 1dmy s ASP 41 CO 0.36 -0.41 1.62 -0.81 -0.17 0.00 0.00 175.17 175.76 1dmy n PRO 42 N 4.59 0.55 0.08 4.34 -0.04 -1.26 -2.60 135.00 140.66 1dmy n PRO 42 Ca -0.07 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1dmy n PRO 42 Cb 0.42 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.55 1dmy n PRO 42 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1dmy h GLN 43 N 0.00 0.00 -6.34 0.54 5.75 -1.96 -3.46 115.11 109.63 1dmy h GLN 43 Ca 0.00 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.97 1dmy h GLN 43 Cb 0.05 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.62 1dmy h GLN 43 CO 0.00 0.00 1.22 -0.51 -2.65 0.00 0.00 178.83 176.89 1dmy s LEU 44 N -4.56 4.41 0.85 -2.39 1.43 -1.07 -4.97 118.68 112.38 1dmy s LEU 44 Ca 0.06 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.67 1dmy s LEU 44 Cb 0.12 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.92 1dmy s LEU 44 CO 0.71 -1.06 1.11 0.00 0.23 0.00 0.00 176.35 177.35 1dmy s ALA 45 N 4.48 1.77 0.67 4.21 0.00 -1.22 -4.86 121.76 126.81 1dmy s ALA 45 Ca 0.87 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1dmy s ALA 45 Cb -0.42 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1dmy s ALA 45 CO 0.40 -2.29 1.27 -2.14 0.00 0.00 0.00 175.76 173.00 1dmy s PRO 46 N -4.79 2.46 -0.45 0.00 0.02 -1.26 -1.08 135.00 129.90 1dmy s PRO 46 Ca 0.64 1.99 -0.19 0.00 0.02 0.00 0.00 61.00 63.46 1dmy s PRO 46 Cb -0.20 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.51 1dmy s PRO 46 CO 0.57 -1.65 0.53 -1.17 -0.33 0.00 0.00 177.00 174.95 1dmy s LEU 47 N -4.55 4.81 -0.32 -5.54 2.96 -1.26 -1.35 118.68 113.43 1dmy s LEU 47 Ca 0.81 -0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 53.83 1dmy s LEU 47 Cb -0.35 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 43.85 1dmy s LEU 47 CO 0.41 -0.70 0.79 -0.60 -1.32 0.00 0.00 176.35 174.93 1dmy s ARG 48 N 2.41 3.90 -0.20 1.98 6.06 0.28 -4.91 118.95 128.48 1dmy s ARG 48 Ca 0.15 0.52 0.01 0.00 -2.50 0.00 0.00 55.73 53.91 1dmy s ARG 48 Cb -0.17 -3.75 0.03 0.00 0.06 0.00 0.00 34.95 31.12 1dmy s ARG 48 CO 0.15 -0.74 -0.18 0.08 -2.50 0.00 0.00 175.30 172.11 1dmy s VAL 49 N 3.02 2.08 -0.23 7.11 1.01 -1.26 -1.08 120.40 131.05 1dmy s VAL 49 Ca 0.32 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1dmy s VAL 49 Cb -0.14 -1.95 0.12 0.00 0.00 0.00 0.00 36.38 34.41 1dmy s VAL 49 CO 0.14 0.42 0.30 -0.94 0.00 0.00 0.00 175.10 175.02 1dmy s SER 50 N 1.25 0.93 0.02 3.32 1.04 -1.12 -5.08 113.70 114.06 1dmy s SER 50 Ca 0.02 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1dmy s SER 50 Cb -0.15 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1dmy s SER 50 CO -0.11 -0.33 0.10 -0.31 0.98 0.00 0.00 173.24 173.57 1dmy s TYR 51 N 2.43 3.29 -0.54 5.02 2.02 -1.26 -2.12 117.35 126.19 1dmy s TYR 51 Ca 0.10 0.18 -0.20 0.00 -0.37 0.00 0.00 57.07 56.78 1dmy s TYR 51 Cb -0.15 -1.71 0.07 0.00 -0.40 0.00 0.00 41.96 39.76 1dmy s TYR 51 CO -0.17 0.55 0.69 0.34 -1.57 0.00 0.00 175.55 175.39 1dmy s ASP 52 N -2.00 6.22 0.39 2.29 2.15 -1.26 -4.93 116.67 119.53 1dmy s ASP 52 Ca 0.26 -1.00 0.07 0.00 0.43 0.00 0.00 52.55 52.30 1dmy s ASP 52 Cb -0.12 -2.31 0.82 0.00 -0.30 0.00 0.00 42.92 41.00 1dmy s ASP 52 CO 0.18 -1.01 2.02 0.00 -0.17 0.00 0.00 175.17 176.19 1dmy h ALA 53 N 9.10 1.73 0.00 3.66 0.00 -1.98 -2.33 119.26 129.45 1dmy h ALA 53 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1dmy h ALA 53 Cb 1.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1dmy h ALA 53 CO 1.02 0.21 0.00 0.00 0.00 0.00 0.00 179.25 180.49 1dmy h ALA 54 N 1.68 1.00 -0.05 0.00 0.00 -1.92 -1.12 119.26 118.86 1dmy h ALA 54 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dmy h ALA 54 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dmy h ALA 54 CO -0.06 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 1dmy n SER 55 N -2.43 0.49 -4.77 0.00 3.41 -0.87 -4.83 113.62 104.61 1dmy n SER 55 Ca -0.01 -1.51 -0.36 0.00 -0.26 0.00 0.00 58.87 56.73 1dmy n SER 55 Cb 0.10 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1dmy n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dmy n ARG 57 N -0.63 0.00 -3.82 0.00 5.12 -0.78 -4.77 116.66 111.79 1dmy n ARG 57 Ca 0.08 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.90 1dmy n ARG 57 Cb 0.49 -0.05 -0.06 0.00 -1.16 0.00 0.00 32.46 31.68 1dmy n ARG 57 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1dmy s TYR 58 N -1.16 0.11 -0.05 -1.55 1.13 -1.23 0.83 117.35 115.43 1dmy s TYR 58 Ca 0.00 -0.47 0.04 0.00 -1.41 0.00 0.00 57.07 55.23 1dmy s TYR 58 Cb 0.00 0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 1dmy s TYR 58 CO 0.00 -0.72 -0.16 -1.17 -2.51 0.00 0.00 175.55 170.99 1dmy s LEU 59 N -2.89 2.63 0.09 -3.49 1.98 -0.27 -0.74 118.68 116.00 1dmy s LEU 59 Ca 0.10 -0.24 -0.07 0.00 -2.89 0.00 0.00 54.13 51.03 1dmy s LEU 59 Cb 0.02 -1.52 -0.01 0.00 0.66 0.00 0.00 46.19 45.34 1dmy s LEU 59 CO -0.06 0.34 0.15 -1.66 -1.89 0.00 0.00 176.35 173.23 1dmy s TRP 60 N -0.69 0.31 -0.34 5.38 1.48 -0.36 -1.35 118.94 123.36 1dmy s TRP 60 Ca 0.11 -0.75 -0.14 0.00 -1.06 0.00 0.00 56.10 54.26 1dmy s TRP 60 Cb -0.11 -0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.04 1dmy s TRP 60 CO 0.00 -0.54 0.27 1.21 -4.06 0.00 0.00 176.95 173.84 1dmy s ASN 61 N -2.90 6.09 0.35 -2.66 3.84 -0.40 -1.31 114.94 117.95 1dmy s ASN 61 Ca 0.08 -0.40 0.24 0.00 0.21 0.00 0.00 52.86 53.00 1dmy s ASN 61 Cb 0.05 -2.15 0.52 0.00 -0.55 0.00 0.00 41.25 39.12 1dmy s ASN 61 CO -0.08 -0.27 1.67 0.71 -2.79 0.00 0.00 177.10 176.34 1dmy h THR 62 N 5.51 0.00 0.00 -5.21 1.35 -1.31 0.47 112.91 113.72 1dmy h THR 62 Ca -0.31 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1dmy h THR 62 Cb 1.15 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1dmy h THR 62 CO 0.65 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1dmy n GLY 63 N 1.18 2.57 0.20 5.82 0.00 -1.26 -4.65 105.19 109.06 1dmy n GLY 63 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1dmy n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1dmy n TYR 64 N -0.86 0.00 -3.73 1.61 9.36 -1.26 -4.61 117.16 117.67 1dmy n TYR 64 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1dmy n TYR 64 Cb 0.00 -0.21 0.01 0.00 -0.63 0.00 0.00 39.34 38.51 1dmy n TYR 64 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 1dmy n PHE 65 N -2.79 -1.94 -4.08 2.98 1.16 -1.26 -4.82 117.46 106.70 1dmy n PHE 65 Ca -0.10 -1.65 -0.32 0.00 -1.87 0.00 0.00 57.45 53.51 1dmy n PHE 65 Cb 0.60 0.70 -0.07 0.00 -1.61 0.00 0.00 39.48 39.10 1dmy n PHE 65 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 1dmy s PHE 66 N -3.30 3.24 0.01 2.97 -0.71 -1.26 -0.83 117.98 118.10 1dmy s PHE 66 Ca 0.16 0.14 0.01 0.00 -1.04 0.00 0.00 56.93 56.20 1dmy s PHE 66 Cb -0.03 -1.68 -0.01 0.00 -1.21 0.00 0.00 43.02 40.08 1dmy s PHE 66 CO 0.12 0.53 -0.04 -1.14 -1.34 0.00 0.00 175.22 173.35 1dmy s GLN 67 N -2.05 0.34 -0.23 1.99 0.74 -0.43 -3.65 119.66 116.38 1dmy s GLN 67 Ca 0.26 -0.36 -0.08 0.00 0.05 0.00 0.00 55.36 55.24 1dmy s GLN 67 Cb -0.12 -0.21 -0.04 0.00 1.10 0.00 0.00 33.01 33.74 1dmy s GLN 67 CO 0.18 0.05 0.08 0.08 -0.55 0.00 0.00 175.29 175.12 1dmy s VAL 68 N -0.62 4.56 0.02 1.34 1.01 0.22 -1.23 120.40 125.70 1dmy s VAL 68 Ca -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1dmy s VAL 68 Cb -0.05 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1dmy s VAL 68 CO -0.00 0.38 0.29 -0.70 0.00 0.00 0.00 175.10 175.07 1dmy s GLU 69 N 1.15 3.61 0.28 2.72 2.56 0.09 -1.82 118.70 127.30 1dmy s GLU 69 Ca 0.05 -0.03 0.08 0.00 0.00 0.00 0.00 54.97 55.06 1dmy s GLU 69 Cb -0.14 -3.06 -0.06 0.00 2.00 0.00 0.00 34.13 32.87 1dmy s GLU 69 CO 0.03 0.63 -0.08 -0.06 -0.56 0.00 0.00 175.26 175.22 1dmy s PHE 70 N -1.32 2.01 -0.44 5.30 0.40 -0.64 -1.86 117.98 121.44 1dmy s PHE 70 Ca 0.28 -0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 55.79 1dmy s PHE 70 Cb -0.13 -1.11 0.03 0.00 0.51 0.00 0.00 43.02 42.31 1dmy s PHE 70 CO 0.16 0.36 0.60 0.34 0.70 0.00 0.00 175.22 177.38 1dmy s ASP 71 N -3.46 6.29 -0.02 1.36 2.15 0.13 -4.90 116.67 118.23 1dmy s ASP 71 Ca 0.29 -0.45 0.03 0.00 0.43 0.00 0.00 52.55 52.85 1dmy s ASP 71 Cb 0.02 -2.30 0.12 0.00 -0.30 0.00 0.00 42.92 40.47 1dmy s ASP 71 CO 0.12 -0.74 0.90 -0.90 -0.17 0.00 0.00 175.17 174.38 1dmy n ASP 72 N 6.11 1.20 0.00 -0.34 5.75 -1.26 -3.81 116.55 124.21 1dmy n ASP 72 Ca -0.03 -2.08 0.09 0.00 -0.01 0.00 0.00 54.79 52.77 1dmy n ASP 72 Cb 0.48 -0.30 0.45 0.00 -1.03 0.00 0.00 41.12 40.71 1dmy n ASP 72 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1dmy n SER 73 N -0.02 0.00 -4.40 -1.12 7.64 -1.26 -4.45 113.62 110.01 1dmy n SER 73 Ca 0.04 0.30 -0.44 0.00 1.01 0.00 0.00 58.87 59.78 1dmy n SER 73 Cb 0.25 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1dmy n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dmy n GLU 75 N 6.76 0.74 0.11 0.00 4.07 -1.26 -1.96 120.64 129.10 1dmy n GLU 75 Ca -0.07 0.01 0.12 0.00 -0.06 0.00 0.00 57.16 57.16 1dmy n GLU 75 Cb 0.44 -1.50 0.13 0.00 -0.06 0.00 0.00 31.44 30.45 1dmy n GLU 75 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1dmy h ASP 76 N 0.00 0.00 -3.68 4.31 3.04 -1.95 -3.44 116.42 114.70 1dmy h ASP 76 Ca 0.00 -0.07 -0.65 0.00 -3.24 0.00 0.00 57.03 53.07 1dmy h ASP 76 Cb 0.09 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 38.17 1dmy h ASP 76 CO 0.00 0.04 -0.61 -0.55 -2.04 0.00 0.00 179.24 176.08 1dmy s SER 77 N -5.05 5.28 0.00 4.15 0.15 -0.83 -4.71 113.70 112.69 1dmy s SER 77 Ca 0.04 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1dmy s SER 77 Cb 0.10 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1dmy s SER 77 CO 0.72 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.74 1dmy n GLY 78 N 4.92 -0.57 3.06 9.45 0.00 -0.90 -3.14 105.19 118.01 1dmy n GLY 78 Ca -0.16 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 1dmy n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dmy s ILE 79 N -3.64 0.34 0.25 -0.61 2.07 0.13 -2.81 121.20 116.93 1dmy s ILE 79 Ca 0.00 -1.33 -0.22 0.00 -1.41 0.00 0.00 60.65 57.69 1dmy s ILE 79 Cb 0.00 -0.88 0.05 0.00 0.13 0.00 0.00 42.46 41.76 1dmy s ILE 79 CO 0.00 -0.65 0.85 -0.55 -1.91 0.00 0.00 174.94 172.69 1dmy s SER 80 N -2.09 -0.15 0.00 4.50 0.15 -0.24 -0.60 113.70 115.27 1dmy s SER 80 Ca -0.05 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1dmy s SER 80 Cb -0.03 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1dmy s SER 80 CO -0.03 -1.22 0.00 0.61 1.20 0.00 0.00 173.24 173.80 1dmy n GLY 81 N -0.51 -0.98 7.00 9.45 0.00 -1.26 0.99 105.19 119.88 1dmy n GLY 81 Ca -0.05 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1dmy n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmy n GLY 82 N 0.00 3.05 1.36 -0.02 0.00 -0.24 -0.90 105.19 108.44 1dmy n GLY 82 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1dmy n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dmy n PRO 83 N 14.00 3.34 -3.83 1.61 -0.04 -1.26 -3.43 135.00 145.39 1dmy n PRO 83 Ca 0.00 -2.20 -0.36 0.00 -0.04 0.00 0.00 63.50 60.90 1dmy n PRO 83 Cb 0.00 -1.85 -0.08 0.00 -0.04 0.00 0.00 33.50 31.53 1dmy n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dmy s LEU 84 N -1.69 4.19 0.50 1.53 1.43 -0.08 -4.98 118.68 119.58 1dmy s LEU 84 Ca 0.39 0.28 0.27 0.00 -1.03 0.00 0.00 54.13 54.04 1dmy s LEU 84 Cb 0.27 -2.06 1.29 0.00 0.03 0.00 0.00 46.19 45.72 1dmy s LEU 84 CO 0.16 0.26 1.99 1.23 0.23 0.00 0.00 176.35 180.22 1dmy h GLY 85 N 6.11 0.00 0.00 -3.19 0.00 -1.92 -3.38 103.07 100.68 1dmy h GLY 85 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1dmy h GLY 85 CO 0.69 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.39 1dmy n ASN 86 N -3.54 0.00 -4.77 0.19 0.23 -1.26 -5.05 115.26 101.06 1dmy n ASN 86 Ca -0.01 -0.32 -0.39 0.00 -0.53 0.00 0.00 54.58 53.32 1dmy n ASN 86 Cb 0.30 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.94 1dmy n ASN 86 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1dmy s HIS 87 N -4.25 3.84 -0.11 -2.53 5.65 -1.26 -4.54 115.29 112.09 1dmy s HIS 87 Ca 0.00 1.54 0.04 0.00 0.25 0.00 0.00 55.06 56.89 1dmy s HIS 87 Cb 0.00 -2.76 0.00 0.00 -1.18 0.00 0.00 32.58 28.65 1dmy s HIS 87 CO 0.00 0.44 -0.23 0.71 -0.65 0.00 0.00 174.74 175.01 1dmy s TYR 88 N -0.78 2.58 0.15 3.88 1.51 0.23 -4.05 117.35 120.88 1dmy s TYR 88 Ca 0.36 -1.10 -0.30 0.00 -1.01 0.00 0.00 57.07 55.02 1dmy s TYR 88 Cb -0.22 -1.73 -0.07 0.00 -0.11 0.00 0.00 41.96 39.83 1dmy s TYR 88 CO 0.24 -0.46 0.99 1.03 -1.11 0.00 0.00 175.55 176.25 1dmy s ARG 89 N 0.43 4.71 0.06 -0.62 0.52 -0.04 0.22 118.95 124.23 1dmy s ARG 89 Ca -0.17 1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 56.26 1dmy s ARG 89 Cb -0.17 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 31.89 1dmy s ARG 89 CO 0.07 0.24 1.42 -1.17 0.02 0.00 0.00 175.30 175.88 1dmy s LEU 90 N -0.33 4.35 -0.11 2.53 2.96 -1.19 -0.52 118.68 126.37 1dmy s LEU 90 Ca 0.46 2.25 -0.01 0.00 -0.22 0.00 0.00 54.13 56.61 1dmy s LEU 90 Cb -0.25 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.80 1dmy s LEU 90 CO 0.31 -0.70 -0.11 1.17 -1.32 0.00 0.00 176.35 175.70 1dmy n LYS 91 N 4.70 0.27 -3.80 1.98 3.00 0.52 -4.55 118.16 120.27 1dmy n LYS 91 Ca 0.13 0.08 -0.02 0.00 -0.00 0.00 0.00 58.31 58.49 1dmy n LYS 91 Cb 0.43 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.34 1dmy n LYS 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1dmy s GLN 92 N -2.22 1.04 -0.01 1.64 1.03 -1.13 -1.62 119.66 118.38 1dmy s GLN 92 Ca -0.15 -0.62 -0.14 0.00 0.04 0.00 0.00 55.36 54.49 1dmy s GLN 92 Cb 0.05 0.32 0.02 0.00 0.03 0.00 0.00 33.01 33.43 1dmy s GLN 92 CO 0.24 -0.48 0.29 -0.59 -2.54 0.00 0.00 175.29 172.21 1dmy s PHE 93 N -2.60 -0.16 0.32 9.60 -0.12 -0.75 -0.53 117.98 123.74 1dmy s PHE 93 Ca 0.18 0.23 -0.01 0.00 -0.05 0.00 0.00 56.93 57.27 1dmy s PHE 93 Cb -0.01 0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 1dmy s PHE 93 CO 0.02 -0.37 0.44 -2.39 -0.05 0.00 0.00 175.22 172.87 1dmy n HIS 94 N 1.33 -1.34 -4.17 3.49 1.44 -0.43 -0.61 115.22 114.94 1dmy n HIS 94 Ca -0.22 -2.19 -0.10 0.00 -2.01 0.00 0.00 57.72 53.20 1dmy n HIS 94 Cb 0.56 0.50 -0.10 0.00 0.12 0.00 0.00 29.99 31.07 1dmy n HIS 94 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1dmy s PHE 95 N -3.09 0.88 -0.01 -1.40 0.40 -1.24 -0.97 117.98 112.55 1dmy s PHE 95 Ca 0.27 -1.01 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 1dmy s PHE 95 Cb -0.01 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 43.01 1dmy s PHE 95 CO 0.20 -0.25 -0.03 -1.01 0.70 0.00 0.00 175.22 174.82 1dmy s HIS 96 N -3.74 0.40 0.20 0.36 3.76 -0.66 -4.58 115.29 111.03 1dmy s HIS 96 Ca 0.15 -0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 54.89 1dmy s HIS 96 Cb 0.06 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.42 1dmy s HIS 96 CO -0.03 -0.06 0.37 1.67 -0.85 0.00 0.00 174.74 175.85 1dmy s TRP 97 N 0.28 0.38 0.58 1.40 -2.14 -1.23 -1.19 118.94 117.02 1dmy s TRP 97 Ca -0.03 -0.73 0.08 0.00 2.66 0.00 0.00 56.10 58.08 1dmy s TRP 97 Cb -0.06 0.05 0.08 0.00 -3.10 0.00 0.00 33.47 30.44 1dmy s TRP 97 CO -0.00 -0.84 0.67 0.20 -2.66 0.00 0.00 176.95 174.32 1dmy s GLY 98 N -2.99 1.95 0.10 3.67 0.00 -1.10 -1.94 107.32 107.01 1dmy s GLY 98 Ca 0.20 -1.83 0.27 0.00 0.00 0.00 0.00 44.72 43.36 1dmy s GLY 98 CO 0.04 -1.79 1.84 0.00 0.00 0.00 0.00 173.10 173.18 1dmy n ALA 99 N -2.11 2.34 -2.36 3.20 0.00 -1.26 -4.35 120.51 115.97 1dmy n ALA 99 Ca 0.10 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1dmy n ALA 99 Cb 0.63 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 1dmy n ALA 99 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dmy s THR 100 N -3.05 0.00 -1.29 0.00 -4.23 -1.26 -5.03 115.64 100.77 1dmy s THR 100 Ca 0.12 -1.91 0.20 0.00 -1.18 0.00 0.00 61.69 58.92 1dmy s THR 100 Cb 0.16 -2.47 0.29 0.00 1.34 0.00 0.00 72.50 71.82 1dmy s THR 100 CO 0.57 0.00 1.64 0.47 -0.54 0.00 0.00 174.62 176.76 1dmy n ASP 101 N -0.57 0.00 0.02 3.99 8.00 -1.26 -3.42 116.55 123.31 1dmy n ASP 101 Ca 0.03 0.16 0.13 0.00 0.71 0.00 0.00 54.79 55.81 1dmy n ASP 101 Cb 0.65 -0.35 0.41 0.00 -0.02 0.00 0.00 41.12 41.81 1dmy n ASP 101 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1dmy n GLU 102 N -1.35 0.06 -3.73 -1.24 1.02 -1.26 -4.01 120.64 110.12 1dmy n GLU 102 Ca 0.08 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 1dmy n GLU 102 Cb 0.18 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 1dmy n GLU 102 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1dmy s TRP 103 N -3.03 -0.26 0.00 -0.32 -2.14 -1.22 -4.77 118.94 107.20 1dmy s TRP 103 Ca 0.12 -0.12 0.00 0.00 2.66 0.00 0.00 56.10 58.76 1dmy s TRP 103 Cb 0.17 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 31.16 1dmy s TRP 103 CO 0.62 -1.10 0.00 0.41 -2.66 0.00 0.00 176.95 174.22 1dmy n GLY 104 N -0.43 1.21 3.76 3.67 0.00 -0.92 -2.72 105.19 109.77 1dmy n GLY 104 Ca -0.08 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1dmy n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dmy s SER 105 N 0.00 4.58 -0.11 1.61 1.04 0.13 -3.47 113.70 117.49 1dmy s SER 105 Ca 0.00 1.93 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 1dmy s SER 105 Cb 0.00 -2.54 -0.27 0.00 0.10 0.00 0.00 66.02 63.31 1dmy s SER 105 CO 0.00 -1.99 0.55 -0.33 0.98 0.00 0.00 173.24 172.45 1dmy h GLU 106 N -0.76 0.23 -6.74 4.02 5.08 -1.89 -3.46 114.58 111.06 1dmy h GLU 106 Ca -0.45 -0.40 -0.50 0.00 -1.00 0.00 0.00 59.36 57.01 1dmy h GLU 106 Cb 1.24 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1dmy h GLU 106 CO 0.51 1.19 0.05 -1.01 -1.00 0.00 0.00 179.01 178.76 1dmy s HIS 107 N -2.47 3.45 0.16 4.33 3.76 -1.26 -4.55 115.29 118.71 1dmy s HIS 107 Ca -0.20 0.99 0.08 0.00 -0.15 0.00 0.00 55.06 55.77 1dmy s HIS 107 Cb 0.04 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 1dmy s HIS 107 CO 0.76 -0.00 -0.16 0.00 -0.85 0.00 0.00 174.74 174.48 1dmy s ALA 108 N -2.23 1.90 -0.23 -1.40 0.00 -1.15 -4.57 121.76 114.08 1dmy s ALA 108 Ca 0.50 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1dmy s ALA 108 Cb -0.10 -0.14 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1dmy s ALA 108 CO 0.28 0.17 -0.07 0.08 0.00 0.00 0.00 175.76 176.22 1dmy s VAL 109 N -2.29 1.63 -1.34 0.00 1.01 0.10 -0.45 120.40 119.06 1dmy s VAL 109 Ca 0.16 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 1dmy s VAL 109 Cb -0.04 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1dmy s VAL 109 CO 0.06 -0.03 1.08 0.47 0.00 0.00 0.00 175.10 176.68 1dmy n ASP 110 N 4.65 -4.66 0.00 3.32 8.00 0.50 -0.77 116.55 127.59 1dmy n ASP 110 Ca -0.13 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1dmy n ASP 110 Cb 0.44 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 1dmy n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmy n GLY 111 N -1.71 2.87 3.76 0.44 0.00 -1.26 -4.98 105.19 104.30 1dmy n GLY 111 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1dmy n GLY 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dmy s HIS 112 N -1.71 3.63 -0.04 1.61 5.04 0.05 -4.98 115.29 118.89 1dmy s HIS 112 Ca 0.00 1.74 0.04 0.00 -1.54 0.00 0.00 55.06 55.30 1dmy s HIS 112 Cb 0.00 -3.21 -0.00 0.00 0.04 0.00 0.00 32.58 29.40 1dmy s HIS 112 CO 0.00 -0.37 -0.17 -0.08 -2.34 0.00 0.00 174.74 171.78 1dmy s THR 113 N -1.21 1.42 0.33 0.89 -1.32 -1.26 0.01 115.64 114.49 1dmy s THR 113 Ca 0.45 -0.72 -0.03 0.00 -1.21 0.00 0.00 61.69 60.18 1dmy s THR 113 Cb -0.30 -1.21 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 1dmy s THR 113 CO 0.38 0.41 0.57 -0.31 -2.21 0.00 0.00 174.62 173.46 1dmy s TYR 114 N -0.04 3.50 0.59 9.09 2.02 -1.26 -4.69 117.35 126.55 1dmy s TYR 114 Ca -0.02 0.53 0.42 0.00 -0.37 0.00 0.00 57.07 57.63 1dmy s TYR 114 Cb -0.11 -2.03 2.24 0.00 -0.40 0.00 0.00 41.96 41.66 1dmy s TYR 114 CO 0.02 0.11 2.32 -1.00 -1.57 0.00 0.00 175.55 175.42 1dmy h PRO 115 N 1.16 0.00 -2.82 -1.71 0.13 -1.70 0.39 132.00 127.46 1dmy h PRO 115 Ca -0.48 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1dmy h PRO 115 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1dmy h PRO 115 CO 0.64 0.00 0.29 0.00 -0.23 0.00 0.00 178.00 178.70 1dmy s ALA 116 N -4.15 -1.47 -0.09 -0.56 0.00 -1.25 -2.78 121.76 111.46 1dmy s ALA 116 Ca -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1dmy s ALA 116 Cb 0.13 0.78 0.03 0.00 0.00 0.00 0.00 23.12 24.06 1dmy s ALA 116 CO 0.44 -0.92 0.22 -2.00 0.00 0.00 0.00 175.76 173.50 1dmy s GLU 117 N -3.68 0.24 -0.11 0.00 2.12 -0.34 -1.82 118.70 115.10 1dmy s GLU 117 Ca 0.08 0.37 -0.05 0.00 0.36 0.00 0.00 54.97 55.73 1dmy s GLU 117 Cb -0.03 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 1dmy s GLU 117 CO -0.01 -0.07 0.07 -1.17 -0.54 0.00 0.00 175.26 173.53 1dmy s LEU 118 N 0.46 3.93 -0.14 2.70 2.96 0.33 -1.65 118.68 127.28 1dmy s LEU 118 Ca -0.03 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1dmy s LEU 118 Cb -0.04 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1dmy s LEU 118 CO -0.02 0.36 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.21 1dmy s HIS 119 N -0.75 2.22 -0.36 5.38 3.76 -0.14 -0.79 115.29 124.60 1dmy s HIS 119 Ca 0.12 -1.20 -0.12 0.00 -0.15 0.00 0.00 55.06 53.71 1dmy s HIS 119 Cb -0.12 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 31.97 1dmy s HIS 119 CO 0.03 -0.64 0.22 -0.51 -0.85 0.00 0.00 174.74 172.99 1dmy s LEU 120 N 1.32 4.61 -0.23 0.89 2.01 -0.49 -1.32 118.68 125.47 1dmy s LEU 120 Ca 0.02 -0.70 -0.09 0.00 0.01 0.00 0.00 54.13 53.36 1dmy s LEU 120 Cb -0.13 -2.08 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 1dmy s LEU 120 CO -0.08 -0.31 0.12 0.68 1.01 0.00 0.00 176.35 177.76 1dmy s VAL 121 N 1.64 5.04 0.15 -1.59 -7.23 0.31 -2.16 120.40 116.56 1dmy s VAL 121 Ca 0.04 0.07 0.10 0.00 -1.81 0.00 0.00 61.98 60.38 1dmy s VAL 121 Cb -0.18 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1dmy s VAL 121 CO 0.08 0.37 -0.20 -1.00 -0.31 0.00 0.00 175.10 174.05 1dmy s HIS 122 N 0.99 2.45 0.15 2.82 0.09 -0.65 -0.36 115.29 120.78 1dmy s HIS 122 Ca 0.06 -0.30 0.09 0.00 -0.00 0.00 0.00 55.06 54.91 1dmy s HIS 122 Cb -0.14 -1.26 -0.04 0.00 -0.00 0.00 0.00 32.58 31.14 1dmy s HIS 122 CO 0.04 0.43 -0.20 1.67 -0.00 0.00 0.00 174.74 176.68 1dmy s TRP 123 N -1.38 1.88 -0.97 1.40 1.48 0.32 -1.14 118.94 120.53 1dmy s TRP 123 Ca 0.19 -0.44 -0.24 0.00 -1.06 0.00 0.00 56.10 54.55 1dmy s TRP 123 Cb -0.09 -0.96 -0.02 0.00 -1.16 0.00 0.00 33.47 31.24 1dmy s TRP 123 CO 0.10 0.32 1.82 1.21 -4.06 0.00 0.00 176.95 176.34 1dmy s ASN 124 N -2.49 5.52 0.57 -2.66 3.84 0.96 -0.86 114.94 119.83 1dmy s ASN 124 Ca 0.14 -1.03 0.35 0.00 0.21 0.00 0.00 52.86 52.54 1dmy s ASN 124 Cb -0.07 -2.57 1.66 0.00 -0.55 0.00 0.00 41.25 39.72 1dmy s ASN 124 CO 0.06 -2.42 2.10 0.77 -2.79 0.00 0.00 177.10 174.82 1dmy h SER 125 N 10.63 0.00 0.00 -4.21 4.64 -1.80 -1.64 113.55 121.18 1dmy h SER 125 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1dmy h SER 125 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1dmy h SER 125 CO 1.27 0.03 -0.04 0.74 -0.87 0.00 0.00 176.83 177.97 1dmy h THR 126 N 0.00 0.00 0.00 2.95 2.02 -1.87 -3.39 112.91 112.62 1dmy h THR 126 Ca -0.00 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.26 1dmy h THR 126 Cb 0.36 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1dmy h THR 126 CO 0.00 0.00 -0.17 0.50 0.37 0.00 0.00 175.52 176.22 1dmy h LYS 127 N -0.88 0.00 -6.67 6.66 3.64 -1.92 -3.44 116.57 113.95 1dmy h LYS 127 Ca 0.00 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 1dmy h LYS 127 Cb 0.04 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.64 1dmy h LYS 127 CO 0.00 0.17 -0.85 0.71 -2.27 0.00 0.00 179.45 177.21 1dmy s TYR 128 N -3.78 2.18 0.16 1.91 2.02 -0.62 -5.04 117.35 114.19 1dmy s TYR 128 Ca -0.00 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1dmy s TYR 128 Cb 0.11 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 1dmy s TYR 128 CO 0.61 0.34 1.37 1.49 -1.57 0.00 0.00 175.55 177.79 1dmy h GLU 129 N 3.77 0.29 -3.21 -0.62 4.81 -1.85 -3.41 114.58 114.36 1dmy h GLU 129 Ca -0.49 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 58.45 1dmy h GLU 129 Cb 1.18 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 1dmy h GLU 129 CO 0.41 1.00 0.10 0.54 -0.73 0.00 0.00 179.01 180.33 1dmy s ASN 130 N -6.98 -0.27 0.30 1.04 2.20 -1.26 -5.05 114.94 104.92 1dmy s ASN 130 Ca -0.04 -0.53 0.05 0.00 -0.94 0.00 0.00 52.86 51.39 1dmy s ASN 130 Cb 0.10 0.64 0.69 0.00 -2.00 0.00 0.00 41.25 40.67 1dmy s ASN 130 CO 0.84 -1.16 1.80 0.22 -2.94 0.00 0.00 177.10 175.86 1dmy h TYR 131 N 2.11 1.08 -0.32 1.54 3.20 -1.94 0.19 116.97 122.83 1dmy h TYR 131 Ca -0.25 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 1dmy h TYR 131 Cb 1.26 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1dmy h TYR 131 CO 0.37 0.31 0.18 0.87 -1.64 0.00 0.00 178.16 178.26 1dmy h LYS 132 N 0.84 0.45 -0.30 1.82 6.56 -2.00 0.06 116.57 123.99 1dmy h LYS 132 Ca 0.55 -0.05 -0.16 0.00 -1.06 0.00 0.00 60.65 59.93 1dmy h LYS 132 Cb 0.76 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.33 1dmy h LYS 132 CO -0.33 0.36 -0.46 0.87 -2.06 0.00 0.00 179.45 177.84 1dmy h LYS 133 N 0.41 0.79 -0.90 3.15 1.79 -1.80 -3.06 116.57 116.95 1dmy h LYS 133 Ca 0.11 -0.45 0.02 0.00 -2.18 0.00 0.00 60.65 58.16 1dmy h LYS 133 Cb 0.04 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 1dmy h LYS 133 CO -0.02 1.08 0.59 0.00 -1.08 0.00 0.00 179.45 180.02 1dmy h ALA 134 N 0.85 1.17 -1.11 3.86 0.00 -0.41 -2.39 119.26 121.23 1dmy h ALA 134 Ca 0.04 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.20 1dmy h ALA 134 Cb 1.03 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1dmy h ALA 134 CO 0.10 0.50 0.75 0.77 0.00 0.00 0.00 179.25 181.37 1dmy h SER 135 N 1.18 0.24 -0.00 0.00 0.02 -0.87 -2.54 113.55 111.59 1dmy h SER 135 Ca 0.34 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1dmy h SER 135 Cb -0.07 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1dmy h SER 135 CO -0.09 0.03 -0.32 1.33 -1.14 0.00 0.00 176.83 176.64 1dmy n VAL 136 N -4.44 0.00 -2.75 2.27 0.24 -1.08 -4.74 118.33 107.84 1dmy n VAL 136 Ca 0.26 -0.34 -0.26 0.00 -2.04 0.00 0.00 64.34 61.95 1dmy n VAL 136 Cb 1.06 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.45 1dmy n VAL 136 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1dmy s GLY 137 N -1.61 1.50 0.38 7.63 0.00 -0.92 -4.83 107.32 109.47 1dmy s GLY 137 Ca 0.04 -0.66 -0.27 0.00 0.00 0.00 0.00 44.72 43.83 1dmy s GLY 137 CO 0.29 -0.49 1.24 -1.83 0.00 0.00 0.00 173.10 172.31 1dmy s GLU 138 N -4.70 4.14 -1.43 2.90 -1.05 -1.26 -2.10 118.70 115.19 1dmy s GLU 138 Ca 0.47 2.03 -0.06 0.00 -0.15 0.00 0.00 54.97 57.26 1dmy s GLU 138 Cb -0.10 -2.83 0.03 0.00 -0.44 0.00 0.00 34.13 30.78 1dmy s GLU 138 CO 0.43 -0.31 0.51 0.09 0.95 0.00 0.00 175.26 176.93 1dmy n ASN 139 N 0.35 -5.09 0.07 0.83 5.03 -1.24 -4.87 115.26 110.33 1dmy n ASN 139 Ca 0.03 -0.29 -0.16 0.00 0.87 0.00 0.00 54.58 55.03 1dmy n ASN 139 Cb 0.44 -4.16 -0.14 0.00 -1.02 0.00 0.00 39.78 34.90 1dmy n ASN 139 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1dmy h GLY 140 N -1.11 0.29 -2.64 7.41 0.00 -0.86 -3.42 103.07 102.74 1dmy h GLY 140 Ca -0.48 -0.73 -0.37 0.00 0.00 0.00 0.00 47.33 45.75 1dmy h GLY 140 CO 0.54 0.64 -0.70 1.08 0.00 0.00 0.00 176.54 178.11 1dmy s LEU 141 N -7.00 2.43 -0.06 3.11 1.43 -0.49 -0.03 118.68 118.08 1dmy s LEU 141 Ca -0.08 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 51.93 1dmy s LEU 141 Cb 0.07 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.93 1dmy s LEU 141 CO 0.86 -0.36 0.02 0.00 0.23 0.00 0.00 176.35 177.10 1dmy s ALA 142 N -3.29 0.51 -0.16 4.21 0.00 -0.29 -1.57 121.76 121.16 1dmy s ALA 142 Ca 0.21 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1dmy s ALA 142 Cb 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1dmy s ALA 142 CO 0.04 -0.40 -0.16 0.08 0.00 0.00 0.00 175.76 175.31 1dmy s VAL 143 N 1.88 2.53 -0.01 0.00 1.01 -0.68 -1.64 120.40 123.48 1dmy s VAL 143 Ca 0.03 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1dmy s VAL 143 Cb -0.12 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 1dmy s VAL 143 CO -0.04 0.52 0.50 -0.63 0.00 0.00 0.00 175.10 175.45 1dmy s ILE 144 N 0.90 4.96 -0.08 2.22 1.01 -0.92 -1.21 121.20 128.08 1dmy s ILE 144 Ca -0.04 1.05 0.05 0.00 0.00 0.00 0.00 60.65 61.71 1dmy s ILE 144 Cb -0.15 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1dmy s ILE 144 CO -0.02 0.49 -0.24 -0.83 0.00 0.00 0.00 174.94 174.33 1dmy s GLY 145 N -0.55 1.31 -0.06 6.18 0.00 0.15 -1.39 107.32 112.95 1dmy s GLY 145 Ca 0.27 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 44.03 1dmy s GLY 145 CO 0.15 -0.50 -0.22 0.14 0.00 0.00 0.00 173.10 172.67 1dmy s VAL 146 N 0.06 1.82 0.02 1.40 1.01 0.02 -0.64 120.40 124.09 1dmy s VAL 146 Ca -0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 1dmy s VAL 146 Cb -0.16 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 1dmy s VAL 146 CO 0.06 0.51 0.48 -0.36 0.00 0.00 0.00 175.10 175.79 1dmy s PHE 147 N 0.08 3.74 -0.16 5.22 0.08 -1.26 -0.51 117.98 125.16 1dmy s PHE 147 Ca -0.08 1.10 -0.06 0.00 0.12 0.00 0.00 56.93 58.01 1dmy s PHE 147 Cb -0.14 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 1dmy s PHE 147 CO 0.05 0.57 0.05 -0.51 -0.10 0.00 0.00 175.22 175.28 1dmy s LEU 148 N -0.92 3.77 0.13 -0.37 1.43 -0.76 -1.13 118.68 120.83 1dmy s LEU 148 Ca 0.26 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1dmy s LEU 148 Cb -0.18 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1dmy s LEU 148 CO 0.15 0.22 -0.18 -1.59 0.23 0.00 0.00 176.35 175.18 1dmy s LYS 149 N 0.09 1.14 0.19 1.70 -2.85 -0.41 -3.95 119.74 115.64 1dmy s LYS 149 Ca 0.05 -1.26 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 1dmy s LYS 149 Cb -0.12 -1.23 -0.09 0.00 -2.06 0.00 0.00 37.83 34.33 1dmy s LYS 149 CO 0.01 0.26 1.32 -0.51 0.10 0.00 0.00 175.35 176.53 1dmy s LEU 150 N -2.30 4.41 0.00 2.77 2.01 -1.26 -0.67 118.68 123.64 1dmy s LEU 150 Ca 0.10 2.39 0.00 0.00 0.01 0.00 0.00 54.13 56.63 1dmy s LEU 150 Cb -0.07 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1dmy s LEU 150 CO 0.05 -0.55 0.00 0.61 1.01 0.00 0.00 176.35 177.47 1dmy n GLY 151 N 2.50 -0.63 3.77 -3.19 0.00 0.37 -4.78 105.19 103.23 1dmy n GLY 151 Ca 0.07 0.29 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 1dmy n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmy s ALA 152 N -1.00 2.89 0.40 4.61 0.00 -1.26 -4.15 121.76 123.26 1dmy s ALA 152 Ca 0.00 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 1dmy s ALA 152 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1dmy s ALA 152 CO 0.00 -0.67 1.25 1.58 0.00 0.00 0.00 175.76 177.92 1dmy n HIS 153 N -0.72 2.08 -3.76 0.00 -0.00 -1.26 -3.11 115.22 108.45 1dmy n HIS 153 Ca 0.09 0.52 -0.37 0.00 0.46 0.00 0.00 57.72 58.41 1dmy n HIS 153 Cb 0.49 -2.37 -0.13 0.00 -0.12 0.00 0.00 29.99 27.86 1dmy n HIS 153 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1dmy s HIS 154 N -1.18 3.16 0.10 1.57 5.04 -1.26 -4.84 115.29 117.88 1dmy s HIS 154 Ca 0.60 -1.01 -0.30 0.00 -1.54 0.00 0.00 55.06 52.81 1dmy s HIS 154 Cb -0.53 -2.26 -0.11 0.00 0.04 0.00 0.00 32.58 29.72 1dmy s HIS 154 CO 0.59 -0.59 1.62 1.96 -2.34 0.00 0.00 174.74 175.97 1dmy h GLN 155 N 8.24 -0.61 -0.26 2.88 7.50 -1.94 -2.59 115.11 128.32 1dmy h GLN 155 Ca -0.31 0.04 -0.04 0.00 0.50 0.00 0.00 58.65 58.85 1dmy h GLN 155 Cb 1.12 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.78 1dmy h GLN 155 CO 0.60 -0.41 -0.02 0.00 -1.50 0.00 0.00 178.83 177.51 1dmy h ALA 156 N -0.08 1.49 -0.59 3.87 0.00 -1.95 -2.53 119.26 119.46 1dmy h ALA 156 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1dmy h ALA 156 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1dmy h ALA 156 CO -0.12 0.37 0.03 1.25 0.00 0.00 0.00 179.25 180.78 1dmy h LEU 157 N 0.39 0.98 -1.40 0.00 6.46 -1.89 -2.96 115.31 116.88 1dmy h LEU 157 Ca 0.09 -0.26 0.22 0.00 -0.12 0.00 0.00 57.88 57.81 1dmy h LEU 157 Cb 0.29 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 39.88 1dmy h LEU 157 CO 0.01 1.01 0.62 -0.61 -0.62 0.00 0.00 178.44 178.86 1dmy h GLN 158 N 0.93 0.44 -0.58 1.25 5.75 -1.04 0.15 115.11 122.02 1dmy h GLN 158 Ca 0.17 -0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.77 1dmy h GLN 158 Cb 0.50 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1dmy h GLN 158 CO 0.02 0.29 0.40 0.87 -2.65 0.00 0.00 178.83 177.76 1dmy h LYS 159 N 0.46 0.27 0.13 1.69 1.57 -1.61 0.18 116.57 119.26 1dmy h LYS 159 Ca 0.52 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 59.03 1dmy h LYS 159 Cb 1.23 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1dmy h LYS 159 CO -0.24 0.18 -1.26 -0.07 -0.57 0.00 0.00 179.45 177.49 1dmy h LEU 160 N 0.28 0.44 -1.06 2.94 4.07 -0.89 -3.35 115.31 117.74 1dmy h LEU 160 Ca 0.28 -0.89 0.14 0.00 0.08 0.00 0.00 57.88 57.48 1dmy h LEU 160 Cb 0.71 -0.14 -0.09 0.00 1.08 0.00 0.00 40.66 42.22 1dmy h LEU 160 CO -0.06 1.57 0.62 0.58 -1.08 0.00 0.00 178.44 180.07 1dmy h VAL 161 N -0.28 0.87 0.00 1.22 2.07 -0.52 -1.88 116.25 117.73 1dmy h VAL 161 Ca -0.26 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1dmy h VAL 161 Cb 1.76 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1dmy h VAL 161 CO 0.10 0.17 -0.08 0.44 0.02 0.00 0.00 177.57 178.22 1dmy h ASP 162 N 0.91 0.00 0.04 0.57 3.32 -1.12 -2.65 116.42 117.48 1dmy h ASP 162 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1dmy h ASP 162 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1dmy h ASP 162 CO -0.27 0.08 -0.34 1.33 -1.72 0.00 0.00 179.24 178.32 1dmy n VAL 163 N -4.08 0.00 -0.19 -1.35 0.24 -0.72 -4.48 118.33 107.74 1dmy n VAL 163 Ca -0.03 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.01 1dmy n VAL 163 Cb 0.17 1.04 0.09 0.00 -1.47 0.00 0.00 33.84 33.67 1dmy n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1dmy h LEU 164 N 2.42 0.24 -2.24 1.34 4.07 -1.25 -1.61 115.31 118.28 1dmy h LEU 164 Ca 0.00 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.03 1dmy h LEU 164 Cb 0.71 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.49 1dmy h LEU 164 CO 0.00 0.15 0.25 1.55 -1.08 0.00 0.00 178.44 179.32 1dmy h PRO 165 N 0.42 0.00 0.00 1.13 0.13 -1.78 0.65 132.00 132.55 1dmy h PRO 165 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1dmy h PRO 165 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1dmy h PRO 165 CO -0.27 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 178.27 1dmy h GLU 166 N 0.00 0.00 -0.14 0.86 4.39 -1.61 -3.32 114.58 114.76 1dmy h GLU 166 Ca 0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1dmy h GLU 166 Cb 0.52 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 1dmy h GLU 166 CO -0.00 0.00 -0.47 1.55 -1.16 0.00 0.00 179.01 178.93 1dmy n VAL 167 N -2.80 2.30 0.23 3.13 3.14 0.22 -4.74 118.33 119.82 1dmy n VAL 167 Ca 0.04 -3.28 0.06 0.00 -2.96 0.00 0.00 64.34 58.20 1dmy n VAL 167 Cb 0.50 -0.35 0.55 0.00 -1.06 0.00 0.00 33.84 33.48 1dmy n VAL 167 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1dmy h ARG 168 N 1.13 0.00 -6.07 1.45 2.43 -1.65 -3.40 114.38 108.27 1dmy h ARG 168 Ca 0.08 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.70 1dmy h ARG 168 Cb 1.15 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1dmy h ARG 168 CO 0.15 0.14 -0.49 -1.01 -1.51 0.00 0.00 179.97 177.25 1dmy s HIS 169 N -4.71 3.42 0.37 2.20 3.76 -1.26 -1.45 115.29 117.62 1dmy s HIS 169 Ca -0.04 0.09 -0.27 0.00 -0.15 0.00 0.00 55.06 54.69 1dmy s HIS 169 Cb 0.16 -1.64 -0.11 0.00 1.11 0.00 0.00 32.58 32.10 1dmy s HIS 169 CO 0.68 0.52 1.28 1.17 -0.85 0.00 0.00 174.74 177.54 1dmy n LYS 170 N -0.48 2.04 -0.97 1.40 4.81 -0.54 -2.59 118.16 121.84 1dmy n LYS 170 Ca -0.07 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1dmy n LYS 170 Cb 0.54 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1dmy n LYS 170 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmy n ASP 171 N 0.55 -3.86 -4.80 3.14 8.00 0.16 -4.76 116.55 114.97 1dmy n ASP 171 Ca 0.05 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.20 1dmy n ASP 171 Cb 0.37 -1.86 -0.06 0.00 -0.02 0.00 0.00 41.12 39.55 1dmy n ASP 171 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dmy s THR 172 N -1.65 4.41 0.24 -3.53 2.01 -1.07 -4.84 115.64 111.20 1dmy s THR 172 Ca 0.00 1.51 0.05 0.00 0.31 0.00 0.00 61.69 63.56 1dmy s THR 172 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1dmy s THR 172 CO 0.00 0.08 -0.05 -1.10 -0.69 0.00 0.00 174.62 172.86 1dmy s GLN 173 N -2.25 1.39 -0.12 4.92 1.11 -1.26 -1.28 119.66 122.17 1dmy s GLN 173 Ca 0.49 -1.69 -0.08 0.00 0.01 0.00 0.00 55.36 54.09 1dmy s GLN 173 Cb -0.16 -0.89 0.04 0.00 -1.01 0.00 0.00 33.01 30.99 1dmy s GLN 173 CO 0.21 0.00 0.29 0.08 0.01 0.00 0.00 175.29 175.89 1dmy s VAL 174 N -3.20 -0.02 0.56 1.09 1.01 -0.46 -4.84 120.40 114.54 1dmy s VAL 174 Ca 0.27 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1dmy s VAL 174 Cb 0.04 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1dmy s VAL 174 CO 0.09 0.03 1.07 0.00 0.00 0.00 0.00 175.10 176.29 1dmy s ALA 175 N 0.77 2.74 0.12 5.51 0.00 -1.26 -1.11 121.76 128.54 1dmy s ALA 175 Ca -0.05 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.53 1dmy s ALA 175 Cb -0.06 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1dmy s ALA 175 CO -0.05 -0.70 -0.20 -1.64 0.00 0.00 0.00 175.76 173.17 1dmy s MET 176 N -3.70 1.17 0.30 0.00 -1.94 0.24 -4.77 119.30 110.61 1dmy s MET 176 Ca 0.66 -1.24 0.01 0.00 -1.71 0.00 0.00 55.69 53.41 1dmy s MET 176 Cb -0.18 -1.37 0.06 0.00 2.01 0.00 0.00 34.83 35.35 1dmy s MET 176 CO 0.31 0.30 0.41 0.41 -0.01 0.00 0.00 175.02 176.44 1dmy n GLY 177 N 0.82 0.97 3.71 -0.03 0.00 -1.26 -4.45 105.19 104.94 1dmy n GLY 177 Ca -0.17 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1dmy n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dmy n PRO 178 N -1.74 2.18 -3.68 1.61 -0.02 -1.26 -4.66 135.00 127.43 1dmy n PRO 178 Ca 0.07 0.77 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1dmy n PRO 178 Cb 0.25 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 1dmy n PRO 178 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1dmy s PHE 179 N -1.08 -0.71 -0.46 6.00 5.36 -0.48 -4.94 117.98 121.68 1dmy s PHE 179 Ca 0.55 1.45 -0.16 0.00 -0.96 0.00 0.00 56.93 57.81 1dmy s PHE 179 Cb -0.56 0.33 0.05 0.00 -0.34 0.00 0.00 43.02 42.50 1dmy s PHE 179 CO 0.62 -0.39 0.43 0.34 -1.46 0.00 0.00 175.22 174.76 1dmy s ASP 180 N 1.66 6.16 0.48 6.13 2.15 -1.26 -4.31 116.67 127.68 1dmy s ASP 180 Ca -0.08 -1.07 0.13 0.00 0.43 0.00 0.00 52.55 51.96 1dmy s ASP 180 Cb -0.09 -2.21 1.11 0.00 -0.30 0.00 0.00 42.92 41.44 1dmy s ASP 180 CO -0.14 -0.65 2.11 -0.65 -0.17 0.00 0.00 175.17 175.67 1dmy h PRO 181 N 8.78 0.19 0.00 4.34 0.11 -1.96 -1.50 132.00 141.96 1dmy h PRO 181 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1dmy h PRO 181 Cb 1.11 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1dmy h PRO 181 CO 0.86 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.65 1dmy n SER 182 N -4.51 0.01 0.02 -2.05 3.41 -1.26 0.05 113.62 109.29 1dmy n SER 182 Ca -0.01 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1dmy n SER 182 Cb 0.09 -0.51 0.52 0.00 -0.26 0.00 0.00 64.21 64.05 1dmy n SER 182 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dmy n LEU 184 N -1.65 0.76 -4.86 0.00 4.77 0.11 -4.84 117.00 111.28 1dmy n LEU 184 Ca 0.06 -0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 55.49 1dmy n LEU 184 Cb 0.36 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1dmy n LEU 184 CO 0.29 0.19 0.44 -0.04 -1.33 0.00 0.00 177.39 176.94 1dmy s MET 185 N -2.99 3.91 0.81 3.23 -1.94 -1.16 -4.88 119.30 116.28 1dmy s MET 185 Ca 0.10 0.60 -0.11 0.00 -1.71 0.00 0.00 55.69 54.57 1dmy s MET 185 Cb 0.17 -2.40 0.08 0.00 2.01 0.00 0.00 34.83 34.69 1dmy s MET 185 CO 0.78 0.05 1.09 -1.25 -0.01 0.00 0.00 175.02 175.68 1dmy s PRO 186 N -3.41 1.99 0.08 2.03 0.04 -1.26 -4.98 135.00 129.49 1dmy s PRO 186 Ca 0.53 0.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.21 1dmy s PRO 186 Cb -0.10 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1dmy s PRO 186 CO 0.24 -1.73 1.41 0.00 0.04 0.00 0.00 177.00 176.96 1dmy h ALA 187 N -1.17 0.35 -2.30 8.56 0.00 -1.95 -3.41 119.26 119.34 1dmy h ALA 187 Ca -0.47 -0.35 -0.55 0.00 0.00 0.00 0.00 54.91 53.54 1dmy h ALA 187 Cb 1.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1dmy h ALA 187 CO 0.56 0.27 0.54 0.00 0.00 0.00 0.00 179.25 180.63 1dmy n ARG 189 N 4.79 3.71 -2.10 0.00 5.12 -1.26 -4.68 116.66 122.24 1dmy n ARG 189 Ca 0.08 -3.10 -0.42 0.00 -1.93 0.00 0.00 57.85 52.49 1dmy n ARG 189 Cb 0.49 -2.21 -0.03 0.00 -1.16 0.00 0.00 32.46 29.55 1dmy n ARG 189 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1dmy s ASP 190 N -1.08 6.75 0.29 0.55 1.01 -1.26 -4.93 116.67 118.00 1dmy s ASP 190 Ca 0.55 2.43 0.04 0.00 0.71 0.00 0.00 52.55 56.27 1dmy s ASP 190 Cb 0.44 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1dmy s ASP 190 CO 0.13 -0.70 0.20 -0.72 0.21 0.00 0.00 175.17 174.30 1dmy s TYR 191 N 1.02 1.54 0.28 4.23 1.13 -1.26 -0.64 117.35 123.65 1dmy s TYR 191 Ca 0.65 -1.50 0.11 0.00 -1.41 0.00 0.00 57.07 54.93 1dmy s TYR 191 Cb -0.39 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 39.71 1dmy s TYR 191 CO 0.31 -0.70 -0.14 -1.58 -2.51 0.00 0.00 175.55 170.93 1dmy s TRP 192 N -3.70 2.40 -0.08 -3.49 0.51 -0.61 -1.17 118.94 112.81 1dmy s TRP 192 Ca 0.39 -0.32 -0.15 0.00 -2.12 0.00 0.00 56.10 53.89 1dmy s TRP 192 Cb 0.04 -1.09 0.03 0.00 -0.81 0.00 0.00 33.47 31.65 1dmy s TRP 192 CO 0.20 0.68 0.36 -0.08 -0.51 0.00 0.00 176.95 177.60 1dmy s THR 193 N -2.48 0.03 -0.03 2.01 -1.32 -0.07 -1.90 115.64 111.88 1dmy s THR 193 Ca 0.31 -0.22 -0.29 0.00 -1.21 0.00 0.00 61.69 60.28 1dmy s THR 193 Cb -0.05 -0.59 0.10 0.00 -1.51 0.00 0.00 72.50 70.46 1dmy s THR 193 CO 0.16 -0.12 0.88 -0.72 -2.21 0.00 0.00 174.62 172.61 1dmy s TYR 194 N -0.58 -0.38 0.08 9.09 -0.85 -0.93 -2.12 117.35 121.67 1dmy s TYR 194 Ca -0.07 0.34 -0.30 0.00 -0.52 0.00 0.00 57.07 56.52 1dmy s TYR 194 Cb -0.04 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.77 1dmy s TYR 194 CO 0.03 -0.53 1.01 -2.14 -1.52 0.00 0.00 175.55 172.40 1dmy s PRO 195 N -2.70 4.62 0.00 -3.49 0.02 -1.26 -0.37 135.00 131.82 1dmy s PRO 195 Ca 0.03 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.56 1dmy s PRO 195 Cb -0.01 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1dmy s PRO 195 CO -0.06 0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 1dmy n GLY 196 N 2.50 4.58 3.49 0.52 0.00 -0.21 -4.78 105.19 111.29 1dmy n GLY 196 Ca 0.04 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 1dmy n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dmy s SER 197 N 1.31 2.73 0.45 1.61 1.04 -1.09 -3.13 113.70 116.63 1dmy s SER 197 Ca 0.00 -1.74 -0.21 0.00 0.48 0.00 0.00 55.95 54.47 1dmy s SER 197 Cb 0.00 0.60 -0.09 0.00 0.10 0.00 0.00 66.02 66.63 1dmy s SER 197 CO 0.00 -1.01 1.02 -0.76 0.98 0.00 0.00 173.24 173.47 1dmy s LEU 198 N -3.59 3.93 0.00 2.42 1.43 0.19 -4.39 118.68 118.67 1dmy s LEU 198 Ca 0.25 1.89 0.19 0.00 -1.03 0.00 0.00 54.13 55.42 1dmy s LEU 198 Cb 0.01 -4.48 0.53 0.00 0.03 0.00 0.00 46.19 42.29 1dmy s LEU 198 CO 0.17 -0.61 1.44 0.35 0.23 0.00 0.00 176.35 177.93 1dmy n THR 199 N -0.69 0.78 -4.17 5.49 -2.24 -1.26 -4.38 114.28 107.80 1dmy n THR 199 Ca 0.08 -0.79 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1dmy n THR 199 Cb 0.52 0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 1dmy n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1dmy s THR 200 N -1.22 0.87 0.47 4.28 -4.23 -1.26 -4.64 115.64 109.90 1dmy s THR 200 Ca 0.40 -1.65 -0.22 0.00 -1.18 0.00 0.00 61.69 59.04 1dmy s THR 200 Cb 0.21 -1.36 -0.10 0.00 1.34 0.00 0.00 72.50 72.59 1dmy s THR 200 CO 0.27 -0.60 0.77 -2.65 -0.54 0.00 0.00 174.62 171.87 1dmy n PRO 201 N 0.52 0.89 0.00 3.99 -0.02 -1.26 -0.58 135.00 138.54 1dmy n PRO 201 Ca -0.16 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1dmy n PRO 201 Cb 0.58 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1dmy n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dmy n PRO 202 N 0.12 0.90 -1.95 0.52 -0.04 -1.26 -4.94 135.00 128.35 1dmy n PRO 202 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1dmy n PRO 202 Cb 0.42 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.69 1dmy n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1dmy n LEU 203 N -0.34 -1.62 -4.69 1.53 4.77 0.25 -4.91 117.00 111.98 1dmy n LEU 203 Ca 0.00 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.87 1dmy n LEU 203 Cb 0.07 -2.79 0.04 0.00 -2.33 0.00 0.00 43.42 38.41 1dmy n LEU 203 CO 0.00 -0.66 0.82 0.00 -1.33 0.00 0.00 177.39 176.22 1dmy n ALA 204 N -0.24 1.04 -3.18 -1.18 0.00 -1.26 -4.24 120.51 111.44 1dmy n ALA 204 Ca -0.21 0.11 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 1dmy n ALA 204 Cb 0.66 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1dmy n ALA 204 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1dmy n GLU 205 N -0.87 3.59 0.00 0.00 1.02 -1.26 -0.64 120.64 122.49 1dmy n GLU 205 Ca 0.11 -4.29 0.00 0.00 -0.02 0.00 0.00 57.16 52.96 1dmy n GLU 205 Cb 0.44 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 1dmy n GLU 205 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1dmy n SER 206 N 3.31 0.80 -4.61 1.62 3.41 -1.22 -4.65 113.62 112.28 1dmy n SER 206 Ca 0.28 -1.36 -0.34 0.00 -0.26 0.00 0.00 58.87 57.18 1dmy n SER 206 Cb 0.39 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.24 1dmy n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dmy s VAL 207 N -0.36 4.21 -0.30 -3.33 1.01 -1.18 -1.40 120.40 119.04 1dmy s VAL 207 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1dmy s VAL 207 Cb 0.00 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1dmy s VAL 207 CO 0.00 0.55 0.20 -0.89 0.00 0.00 0.00 175.10 174.96 1dmy s THR 208 N -0.33 5.22 -0.02 3.92 2.01 -0.61 -1.04 115.64 124.79 1dmy s THR 208 Ca 0.06 -0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.88 1dmy s THR 208 Cb -0.12 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1dmy s THR 208 CO 0.02 0.15 0.49 0.26 -0.69 0.00 0.00 174.62 174.86 1dmy s TRP 209 N 1.73 3.68 -0.23 4.92 0.52 0.50 -1.69 118.94 128.37 1dmy s TRP 209 Ca 0.07 1.05 -0.01 0.00 0.02 0.00 0.00 56.10 57.23 1dmy s TRP 209 Cb -0.16 -2.46 0.07 0.00 -1.15 0.00 0.00 33.47 29.76 1dmy s TRP 209 CO 0.10 0.45 0.02 0.42 0.02 0.00 0.00 176.95 177.96 1dmy s ILE 210 N -0.46 0.93 -0.18 2.03 1.01 -0.35 -2.20 121.20 121.98 1dmy s ILE 210 Ca 0.27 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1dmy s ILE 210 Cb -0.17 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1dmy s ILE 210 CO 0.14 -0.26 -0.06 -0.69 0.00 0.00 0.00 174.94 174.07 1dmy s VAL 211 N 1.65 3.41 0.17 2.92 1.01 -0.80 0.33 120.40 129.09 1dmy s VAL 211 Ca -0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1dmy s VAL 211 Cb -0.18 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 1dmy s VAL 211 CO -0.10 0.46 1.08 -1.10 0.00 0.00 0.00 175.10 175.45 1dmy s GLN 212 N 0.93 4.60 0.17 2.72 -1.52 0.19 -1.57 119.66 125.19 1dmy s GLN 212 Ca -0.01 1.69 -0.07 0.00 -1.95 0.00 0.00 55.36 55.02 1dmy s GLN 212 Cb -0.15 -3.29 0.06 0.00 -0.22 0.00 0.00 33.01 29.41 1dmy s GLN 212 CO 0.01 0.09 1.52 -0.22 -0.25 0.00 0.00 175.29 176.44 1dmy h LYS 213 N 5.19 0.80 -5.37 2.91 3.64 -1.21 -3.42 116.57 119.11 1dmy h LYS 213 Ca -0.44 -0.42 -0.63 0.00 -1.27 0.00 0.00 60.65 57.90 1dmy h LYS 213 Cb 1.21 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.91 1dmy h LYS 213 CO 0.72 1.05 0.03 0.99 -2.27 0.00 0.00 179.45 179.97 1dmy s THR 214 N -4.35 5.01 0.68 1.00 2.01 -1.26 -5.03 115.64 113.70 1dmy s THR 214 Ca -0.10 0.72 -0.11 0.00 0.31 0.00 0.00 61.69 62.51 1dmy s THR 214 Cb 0.12 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.70 1dmy s THR 214 CO 0.86 -0.08 1.05 -2.16 -0.69 0.00 0.00 174.62 173.61 1dmy s PRO 215 N 2.44 3.08 -0.09 4.92 0.04 -1.26 -4.64 135.00 139.48 1dmy s PRO 215 Ca 0.22 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 1dmy s PRO 215 Cb -0.15 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1dmy s PRO 215 CO 0.11 -0.99 -0.03 0.14 0.04 0.00 0.00 177.00 176.27 1dmy s VAL 216 N -3.04 4.01 0.19 -0.36 -7.23 -0.29 -4.90 120.40 108.78 1dmy s VAL 216 Ca 0.58 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 1dmy s VAL 216 Cb -0.14 -2.68 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 1dmy s VAL 216 CO 0.54 0.58 1.00 -1.61 -0.31 0.00 0.00 175.10 175.30 1dmy s GLU 217 N -0.60 4.73 0.14 4.82 2.02 -1.26 -1.29 118.70 127.26 1dmy s GLU 217 Ca 0.09 1.56 0.04 0.00 0.02 0.00 0.00 54.97 56.68 1dmy s GLU 217 Cb -0.12 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1dmy s GLU 217 CO 0.02 0.30 -0.09 0.14 0.02 0.00 0.00 175.26 175.64 1dmy s VAL 218 N -0.60 1.10 0.38 2.63 -7.23 0.16 -4.35 120.40 112.49 1dmy s VAL 218 Ca 0.45 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 1dmy s VAL 218 Cb -0.26 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.77 1dmy s VAL 218 CO 0.33 -0.75 0.74 -0.55 -0.31 0.00 0.00 175.10 174.56 1dmy s SER 219 N -3.15 6.55 0.15 4.85 0.15 -1.22 -0.48 113.70 120.56 1dmy s SER 219 Ca 0.16 1.12 -0.17 0.00 0.70 0.00 0.00 55.95 57.75 1dmy s SER 219 Cb 0.03 -2.31 0.06 0.00 -1.71 0.00 0.00 66.02 62.09 1dmy s SER 219 CO -0.00 -0.35 1.70 -0.65 1.20 0.00 0.00 173.24 175.14 1dmy h PRO 220 N 1.46 0.06 -0.05 5.44 0.11 -1.95 -2.37 132.00 134.71 1dmy h PRO 220 Ca -0.47 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1dmy h PRO 220 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1dmy h PRO 220 CO 0.64 0.04 0.04 0.66 -0.21 0.00 0.00 178.00 179.17 1dmy h SER 221 N 0.06 0.00 0.16 -2.05 4.64 -1.99 0.34 113.55 114.71 1dmy h SER 221 Ca 0.16 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.20 1dmy h SER 221 Cb 0.23 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1dmy h SER 221 CO -0.30 0.00 -1.16 1.56 -0.87 0.00 0.00 176.83 176.06 1dmy h GLN 222 N 0.00 0.59 -0.23 4.77 4.20 -1.83 -3.18 115.11 119.44 1dmy h GLN 222 Ca 0.02 -0.74 -0.14 0.00 0.06 0.00 0.00 58.65 57.85 1dmy h GLN 222 Cb 0.10 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1dmy h GLN 222 CO -0.00 1.32 -0.45 1.25 -0.67 0.00 0.00 178.83 180.28 1dmy h LEU 223 N 0.29 0.61 -0.69 1.46 5.85 -0.90 -3.10 115.31 118.83 1dmy h LEU 223 Ca -0.16 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1dmy h LEU 223 Cb 1.83 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 1dmy h LEU 223 CO 0.22 0.97 0.39 0.28 -0.34 0.00 0.00 178.44 179.96 1dmy h SER 224 N 0.46 0.84 -0.03 1.25 0.02 -1.04 -2.34 113.55 112.71 1dmy h SER 224 Ca 0.03 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1dmy h SER 224 Cb 0.96 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1dmy h SER 224 CO 0.09 0.68 0.13 -0.03 -1.14 0.00 0.00 176.83 176.55 1dmy h MET 225 N 0.94 0.00 -0.39 3.45 1.85 -1.51 -0.45 114.93 118.81 1dmy h MET 225 Ca 0.24 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 59.19 1dmy h MET 225 Cb 0.01 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 1dmy h MET 225 CO -0.04 0.00 -0.32 0.74 -0.40 0.00 0.00 176.91 176.89 1dmy h PHE 226 N 0.00 1.01 0.00 1.39 -1.00 -1.51 -3.02 116.94 113.82 1dmy h PHE 226 Ca 0.02 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.52 1dmy h PHE 226 Cb 0.27 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1dmy h PHE 226 CO 0.00 1.06 0.00 0.54 -1.61 0.00 0.00 178.31 178.30 1dmy n ARG 227 N -4.08 0.86 0.01 1.51 1.74 -0.18 -2.49 116.66 114.04 1dmy n ARG 227 Ca -0.01 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1dmy n ARG 227 Cb 0.50 -1.26 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 1dmy n ARG 227 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1dmy n THR 228 N -0.16 0.11 -1.41 0.55 -1.04 -1.14 -4.68 114.28 106.52 1dmy n THR 228 Ca 0.00 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.05 61.23 1dmy n THR 228 Cb 0.13 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.73 1dmy n THR 228 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1dmy s LEU 229 N -4.56 2.78 0.13 -4.42 1.43 -1.04 -4.88 118.68 108.13 1dmy s LEU 229 Ca -0.05 1.56 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 1dmy s LEU 229 Cb 0.13 -4.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1dmy s LEU 229 CO 0.88 -1.98 -0.14 -0.76 0.23 0.00 0.00 176.35 174.58 1dmy s LEU 230 N -5.84 2.43 0.12 1.79 2.01 -0.53 -0.28 118.68 118.38 1dmy s LEU 230 Ca 0.61 -0.85 0.11 0.00 0.01 0.00 0.00 54.13 54.01 1dmy s LEU 230 Cb -0.16 -0.57 -0.14 0.00 0.01 0.00 0.00 46.19 45.34 1dmy s LEU 230 CO 0.55 -0.15 1.14 -0.26 1.01 0.00 0.00 176.35 178.65 1dmy h PHE 231 N 3.37 0.00 -4.28 0.29 0.04 -0.12 -3.37 116.94 112.87 1dmy h PHE 231 Ca -0.40 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.88 1dmy h PHE 231 Cb 1.20 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.39 1dmy h PHE 231 CO 0.66 0.82 0.40 -1.54 -0.60 0.00 0.00 178.31 178.04 1dmy s SER 232 N -6.40 6.40 0.67 2.17 1.04 -1.23 -4.60 113.70 111.74 1dmy s SER 232 Ca 0.00 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1dmy s SER 232 Cb 0.09 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1dmy s SER 232 CO 0.80 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1dmy n GLY 233 N -2.13 -0.17 3.75 7.32 0.00 -1.26 -1.46 105.19 111.23 1dmy n GLY 233 Ca 0.06 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1dmy n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dmy s ARG 234 N -2.61 4.72 0.00 1.61 0.52 -1.26 -3.23 118.95 118.70 1dmy s ARG 234 Ca 0.00 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1dmy s ARG 234 Cb 0.00 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1dmy s ARG 234 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1dmy n GLY 235 N 1.65 2.96 3.83 -3.53 0.00 -1.26 -5.00 105.19 103.84 1dmy n GLY 235 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1dmy n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dmy s GLU 236 N -0.19 3.07 0.33 1.61 2.02 -1.20 -4.98 118.70 119.36 1dmy s GLU 236 Ca 0.00 0.92 -0.28 0.00 0.02 0.00 0.00 54.97 55.64 1dmy s GLU 236 Cb 0.00 -2.01 -0.13 0.00 0.10 0.00 0.00 34.13 32.09 1dmy s GLU 236 CO 0.00 -0.99 1.14 -0.85 0.02 0.00 0.00 175.26 174.58 1dmy n GLU 237 N -3.04 1.71 -1.89 1.61 -0.00 -1.26 -4.82 120.64 112.95 1dmy n GLU 237 Ca 0.07 0.60 -0.41 0.00 -0.00 0.00 0.00 57.16 57.43 1dmy n GLU 237 Cb 0.54 -2.09 -0.03 0.00 -0.00 0.00 0.00 31.44 29.85 1dmy n GLU 237 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1dmy s GLU 238 N -1.77 2.91 -0.49 3.44 2.12 -1.26 -4.72 118.70 118.93 1dmy s GLU 238 Ca 0.58 1.26 0.00 0.00 0.36 0.00 0.00 54.97 57.17 1dmy s GLU 238 Cb -0.62 -4.33 0.13 0.00 0.26 0.00 0.00 34.13 29.56 1dmy s GLU 238 CO 0.61 -2.37 0.26 0.34 -0.54 0.00 0.00 175.26 173.56 1dmy s ASP 239 N 7.91 4.92 0.23 -1.70 2.15 -1.26 -5.05 116.67 123.87 1dmy s ASP 239 Ca 0.81 -2.57 -0.31 0.00 0.43 0.00 0.00 52.55 50.91 1dmy s ASP 239 Cb -0.20 -1.75 -0.13 0.00 -0.30 0.00 0.00 42.92 40.53 1dmy s ASP 239 CO 0.29 -0.38 1.41 0.52 -0.17 0.00 0.00 175.17 176.84 1dmy n VAL 240 N 3.80 0.90 -2.73 1.11 0.31 -1.26 0.56 118.33 121.02 1dmy n VAL 240 Ca 0.04 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 1dmy n VAL 240 Cb 0.38 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.83 1dmy n VAL 240 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1dmy s MET 241 N -0.35 3.53 0.07 5.55 1.75 0.61 -4.55 119.30 125.91 1dmy s MET 241 Ca 0.69 -1.29 -0.05 0.00 -1.25 0.00 0.00 55.69 53.79 1dmy s MET 241 Cb -0.66 -5.01 -0.02 0.00 2.84 0.00 0.00 34.83 31.98 1dmy s MET 241 CO 0.49 -2.00 0.10 0.14 -0.65 0.00 0.00 175.02 173.10 1dmy s VAL 242 N 4.06 0.17 -1.25 10.11 -7.23 -1.26 -4.50 120.40 120.50 1dmy s VAL 242 Ca 0.38 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1dmy s VAL 242 Cb -0.04 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1dmy s VAL 242 CO -0.06 -0.78 0.89 0.59 -0.31 0.00 0.00 175.10 175.42 1dmy n ASN 243 N 0.08 -1.86 -2.77 4.85 3.02 -0.82 -4.89 115.26 112.87 1dmy n ASN 243 Ca -0.15 -0.69 -0.38 0.00 -0.03 0.00 0.00 54.58 53.32 1dmy n ASN 243 Cb 0.61 -4.71 0.05 0.00 -0.61 0.00 0.00 39.78 35.12 1dmy n ASN 243 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1dmy n ASN 244 N -3.10 7.46 -4.46 6.41 6.94 -1.14 -4.94 115.26 122.43 1dmy n ASN 244 Ca -0.28 -3.82 -0.28 0.00 -0.02 0.00 0.00 54.58 50.17 1dmy n ASN 244 Cb 0.67 -1.02 -0.11 0.00 -2.36 0.00 0.00 39.78 36.95 1dmy n ASN 244 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1dmy s TYR 245 N -4.00 2.44 0.11 -2.53 -0.85 -1.26 -4.67 117.35 106.58 1dmy s TYR 245 Ca 0.55 -0.31 -0.12 0.00 -0.52 0.00 0.00 57.07 56.67 1dmy s TYR 245 Cb 0.45 -1.26 -0.06 0.00 0.38 0.00 0.00 41.96 41.47 1dmy s TYR 245 CO -0.32 0.42 0.47 0.50 -1.52 0.00 0.00 175.55 175.10 1dmy s ARG 246 N -2.36 3.87 0.78 -3.49 3.52 -1.26 -5.06 118.95 114.94 1dmy s ARG 246 Ca 0.19 0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 56.01 1dmy s ARG 246 Cb -0.09 -2.98 0.06 0.00 -1.56 0.00 0.00 34.95 30.38 1dmy s ARG 246 CO 0.10 0.53 1.08 -1.25 -0.81 0.00 0.00 175.30 174.95 1dmy s PRO 247 N -1.89 2.21 0.20 5.12 0.04 -1.26 -4.66 135.00 134.77 1dmy s PRO 247 Ca 0.35 0.91 -0.32 0.00 0.04 0.00 0.00 61.00 61.97 1dmy s PRO 247 Cb -0.15 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1dmy s PRO 247 CO 0.18 -1.60 1.63 1.28 0.04 0.00 0.00 177.00 178.53 1dmy n LEU 248 N -3.46 3.63 -4.84 -3.56 4.77 -1.26 -4.24 117.00 108.04 1dmy n LEU 248 Ca 0.08 1.09 -0.24 0.00 -0.03 0.00 0.00 56.01 56.90 1dmy n LEU 248 Cb 0.54 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 1dmy n LEU 248 CO 0.55 -0.05 -0.17 -1.10 -1.33 0.00 0.00 177.39 175.30 1dmy s GLN 249 N 0.76 3.02 0.23 3.23 -1.52 0.12 -4.97 119.66 120.53 1dmy s GLN 249 Ca 0.75 -0.91 -0.30 0.00 -1.95 0.00 0.00 55.36 52.95 1dmy s GLN 249 Cb -0.58 -2.67 -0.09 0.00 -0.22 0.00 0.00 33.01 29.45 1dmy s GLN 249 CO 0.38 0.45 1.01 -1.25 -0.25 0.00 0.00 175.29 175.62 1dmy s PRO 250 N -3.51 4.75 0.26 2.91 0.04 -1.26 -4.36 135.00 133.83 1dmy s PRO 250 Ca 0.32 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1dmy s PRO 250 Cb -0.09 -3.26 0.41 0.00 0.04 0.00 0.00 34.50 31.59 1dmy s PRO 250 CO 0.25 0.34 1.88 1.25 0.04 0.00 0.00 177.00 180.76 1dmy h LEU 251 N 4.33 1.02 0.00 -3.56 5.85 -1.92 -3.44 115.31 117.58 1dmy h LEU 251 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1dmy h LEU 251 Cb 1.21 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1dmy h LEU 251 CO 0.69 0.64 0.00 0.54 -0.34 0.00 0.00 178.44 179.97 1dmy n ARG 252 N -4.52 0.00 -0.24 1.25 5.12 -1.26 -3.17 116.66 113.84 1dmy n ARG 252 Ca 0.15 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.18 1dmy n ARG 252 Cb 0.19 0.00 0.24 0.00 -1.16 0.00 0.00 32.46 31.73 1dmy n ARG 252 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1dmy n ASP 253 N 7.57 3.51 -4.77 0.55 5.68 -1.26 -5.00 116.55 122.83 1dmy n ASP 253 Ca 0.00 -1.97 -0.38 0.00 -0.50 0.00 0.00 54.79 51.94 1dmy n ASP 253 Cb 0.00 -0.32 -0.05 0.00 -1.14 0.00 0.00 41.12 39.62 1dmy n ASP 253 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1dmy s ARG 254 N -1.24 4.37 -0.39 0.11 0.52 -1.19 -5.02 118.95 116.11 1dmy s ARG 254 Ca 0.39 1.55 -0.26 0.00 -0.52 0.00 0.00 55.73 56.89 1dmy s ARG 254 Cb 0.22 -2.77 0.02 0.00 0.52 0.00 0.00 34.95 32.94 1dmy s ARG 254 CO 0.30 0.04 0.95 0.15 0.02 0.00 0.00 175.30 176.75 1dmy s LYS 255 N -2.12 3.78 -0.82 3.54 -0.14 -1.26 -4.99 119.74 117.74 1dmy s LYS 255 Ca 0.53 0.52 -0.18 0.00 -1.36 0.00 0.00 55.97 55.48 1dmy s LYS 255 Cb -0.24 -3.83 0.14 0.00 -1.68 0.00 0.00 37.83 32.22 1dmy s LYS 255 CO 0.30 -1.03 0.94 -1.17 -0.76 0.00 0.00 175.35 173.63 1dmy s LEU 256 N 3.62 5.52 0.38 3.17 1.98 -1.26 -4.55 118.68 127.54 1dmy s LEU 256 Ca 0.39 -2.03 -0.19 0.00 -2.89 0.00 0.00 54.13 49.42 1dmy s LEU 256 Cb -0.11 -2.33 -0.10 0.00 0.66 0.00 0.00 46.19 44.31 1dmy s LEU 256 CO 0.21 -0.97 0.86 -0.13 -1.89 0.00 0.00 176.35 174.43 1dmy s ARG 257 N 2.12 4.15 0.13 1.98 0.52 -0.90 -1.51 118.95 125.44 1dmy s ARG 257 Ca 0.24 0.95 0.10 0.00 -0.52 0.00 0.00 55.73 56.50 1dmy s ARG 257 Cb -0.11 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1dmy s ARG 257 CO -0.05 0.06 -0.24 -1.54 0.02 0.00 0.00 175.30 173.55 1dmy s SER 258 N -2.19 3.05 0.00 0.23 1.04 -0.91 -0.89 113.70 114.04 1dmy s SER 258 Ca 0.58 -0.75 0.26 0.00 0.48 0.00 0.00 55.95 56.52 1dmy s SER 258 Cb -0.10 -0.19 0.56 0.00 0.10 0.00 0.00 66.02 66.38 1dmy s SER 258 CO 0.15 0.12 1.46 -1.54 0.98 0.00 0.00 173.24 174.42 1dmy n SER 259 N 0.87 2.09 -4.28 7.02 3.41 -0.31 -1.46 113.62 120.96 1dmy n SER 259 Ca -0.18 -1.63 -0.21 0.00 -0.26 0.00 0.00 58.87 56.60 1dmy n SER 259 Cb 0.54 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 1dmy n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1dmy s PHE 260 N -2.11 1.63 -2.00 7.33 -0.71 -1.26 -4.90 117.98 115.95 1dmy s PHE 260 Ca 0.30 -0.49 0.27 0.00 -1.04 0.00 0.00 56.93 55.97 1dmy s PHE 260 Cb 0.20 -0.85 1.60 0.00 -1.21 0.00 0.00 43.02 42.76 1dmy s PHE 260 CO 0.37 0.22 1.95 0.54 -1.34 0.00 0.00 175.22 176.96