#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddw s GLU 3 N 0.00 1.54 -0.25 1.61 2.12 -1.26 -1.50 118.70 120.96 1ddw s GLU 3 Ca 0.00 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.58 1ddw s GLU 3 Cb 0.00 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 32.15 1ddw s GLU 3 CO 0.00 -0.48 0.07 -0.65 -0.54 0.00 0.00 175.26 173.66 1ddw s GLN 4 N 1.55 3.61 0.13 4.30 -0.21 0.13 -4.92 119.66 124.25 1ddw s GLN 4 Ca -0.01 -0.51 -0.31 0.00 0.02 0.00 0.00 55.36 54.55 1ddw s GLN 4 Cb -0.16 -3.32 -0.08 0.00 1.00 0.00 0.00 33.01 30.45 1ddw s GLN 4 CO -0.07 -0.21 1.28 -1.25 -2.12 0.00 0.00 175.29 172.92 1ddw s PRO 5 N 1.60 4.40 0.01 2.91 0.04 -1.26 -0.28 135.00 142.42 1ddw s PRO 5 Ca 0.06 1.95 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1ddw s PRO 5 Cb -0.15 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1ddw s PRO 5 CO 0.03 -0.28 -0.01 -0.89 0.04 0.00 0.00 177.00 175.90 1ddw n ILE 6 N 3.35 0.20 -3.76 0.56 2.08 -0.42 -4.92 119.36 116.45 1ddw n ILE 6 Ca 0.08 0.04 -0.13 0.00 0.56 0.00 0.00 62.75 63.31 1ddw n ILE 6 Cb 0.44 -1.52 -0.11 0.00 -0.75 0.00 0.00 39.64 37.70 1ddw n ILE 6 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1ddw s PHE 7 N -2.02 -0.35 -0.01 1.39 5.36 -1.02 -4.98 117.98 116.36 1ddw s PHE 7 Ca -0.01 0.85 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 1ddw s PHE 7 Cb 0.00 0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1ddw s PHE 7 CO 0.01 -0.17 -0.05 -1.12 -1.46 0.00 0.00 175.22 172.43 1ddw s SER 8 N 0.18 0.66 0.19 6.13 0.01 -1.26 0.06 113.70 119.66 1ddw s SER 8 Ca -0.00 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1ddw s SER 8 Cb -0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1ddw s SER 8 CO 0.00 0.06 0.19 1.07 0.41 0.00 0.00 173.24 174.97 1ddw n THR 9 N 3.00 0.00 -4.21 1.44 5.66 0.19 -4.98 114.28 115.38 1ddw n THR 9 Ca -0.14 -1.26 -0.18 0.00 -3.05 0.00 0.00 64.05 59.42 1ddw n THR 9 Cb 0.58 0.66 -0.12 0.00 -1.55 0.00 0.00 70.33 69.89 1ddw n THR 9 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ddw s ARG 10 N -2.67 0.82 -0.03 1.09 1.81 -1.26 -0.22 118.95 118.49 1ddw s ARG 10 Ca 0.21 -0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 53.04 1ddw s ARG 10 Cb 0.01 -0.81 0.11 0.00 -0.45 0.00 0.00 34.95 33.80 1ddw s ARG 10 CO 0.15 0.18 1.02 0.00 -0.68 0.00 0.00 175.30 175.97 1ddw s ALA 11 N -1.15 -1.90 0.08 2.13 0.00 -0.27 -4.70 121.76 115.95 1ddw s ALA 11 Ca -0.02 0.99 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 1ddw s ALA 11 Cb -0.09 0.31 -0.07 0.00 0.00 0.00 0.00 23.12 23.27 1ddw s ALA 11 CO 0.02 -0.76 0.61 -1.01 0.00 0.00 0.00 175.76 174.62 1ddw s HIS 12 N -2.89 3.81 -0.03 0.00 3.76 -0.53 -0.63 115.29 118.77 1ddw s HIS 12 Ca 0.08 1.34 0.01 0.00 -0.15 0.00 0.00 55.06 56.34 1ddw s HIS 12 Cb -0.00 -2.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 1ddw s HIS 12 CO -0.06 0.54 -0.01 0.08 -0.85 0.00 0.00 174.74 174.45 1ddw s VAL 13 N -1.00 4.11 0.09 -0.90 1.01 -1.26 -0.81 120.40 121.65 1ddw s VAL 13 Ca 0.31 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ddw s VAL 13 Cb -0.20 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1ddw s VAL 13 CO 0.20 0.47 0.00 -0.36 0.00 0.00 0.00 175.10 175.41 1ddw s PHE 14 N -0.99 0.71 0.04 5.22 0.40 0.39 -0.54 117.98 123.20 1ddw s PHE 14 Ca 0.17 -1.12 0.03 0.00 -0.60 0.00 0.00 56.93 55.41 1ddw s PHE 14 Cb -0.11 -0.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 1ddw s PHE 14 CO 0.07 -0.41 -0.09 -0.65 0.70 0.00 0.00 175.22 174.84 1ddw s GLN 15 N -3.96 0.59 0.53 0.44 -0.21 -0.04 -0.71 119.66 116.30 1ddw s GLN 15 Ca 0.15 -0.72 -0.18 0.00 0.02 0.00 0.00 55.36 54.62 1ddw s GLN 15 Cb 0.08 -0.44 -0.07 0.00 1.00 0.00 0.00 33.01 33.58 1ddw s GLN 15 CO -0.05 0.09 1.04 -1.50 -2.12 0.00 0.00 175.29 172.75 1ddw s ILE 16 N -1.18 3.89 0.12 1.08 1.10 -0.65 -0.56 121.20 125.00 1ddw s ILE 16 Ca -0.06 1.03 -0.31 0.00 -0.51 0.00 0.00 60.65 60.80 1ddw s ILE 16 Cb -0.09 -3.45 -0.09 0.00 0.15 0.00 0.00 42.46 38.98 1ddw s ILE 16 CO 0.01 -0.40 1.58 1.51 -2.11 0.00 0.00 174.94 175.53 1ddw s ASP 17 N -2.42 6.62 0.27 4.50 -4.77 0.63 -4.73 116.67 116.77 1ddw s ASP 17 Ca 0.65 2.53 -0.00 0.00 -3.30 0.00 0.00 52.55 52.42 1ddw s ASP 17 Cb -0.15 -2.58 0.56 0.00 -1.09 0.00 0.00 42.92 39.66 1ddw s ASP 17 CO 0.28 -0.83 1.76 -0.65 0.70 0.00 0.00 175.17 176.43 1ddw h PRO 18 N 7.37 0.61 0.12 2.11 0.11 -1.92 0.19 132.00 140.59 1ddw h PRO 18 Ca -0.42 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1ddw h PRO 18 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ddw h PRO 18 CO 0.91 0.40 -0.06 -0.97 -0.21 0.00 0.00 178.00 178.08 1ddw h ASN 19 N 0.63 -0.14 0.00 -2.05 -1.24 -2.00 -3.38 115.58 107.41 1ddw h ASN 19 Ca 0.48 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.42 1ddw h ASN 19 Cb 0.69 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1ddw h ASN 19 CO -0.37 -0.02 0.00 0.35 -1.29 0.00 0.00 177.43 176.10 1ddw n THR 20 N -5.12 0.00 -3.52 -3.57 -2.24 -1.21 -5.02 114.28 93.59 1ddw n THR 20 Ca -0.08 -0.45 -0.25 0.00 -2.27 0.00 0.00 64.05 61.00 1ddw n THR 20 Cb 0.12 1.05 0.05 0.00 -2.10 0.00 0.00 70.33 69.45 1ddw n THR 20 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ddw n LYS 21 N -0.44 -6.17 0.00 -0.78 5.02 0.05 -4.86 118.16 110.98 1ddw n LYS 21 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1ddw n LYS 21 Cb 0.01 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.33 1ddw n LYS 21 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ddw n LYS 22 N -4.58 1.75 -3.25 1.97 5.02 -1.26 -4.89 118.16 112.93 1ddw n LYS 22 Ca -0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 1ddw n LYS 22 Cb 0.56 -0.77 -0.06 0.00 -0.02 0.00 0.00 35.03 34.75 1ddw n LYS 22 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1ddw s ASN 23 N -2.37 6.86 0.01 4.39 0.01 -1.26 -4.92 114.94 117.67 1ddw s ASN 23 Ca 0.00 1.03 -0.24 0.00 -0.71 0.00 0.00 52.86 52.94 1ddw s ASN 23 Cb 0.00 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1ddw s ASN 23 CO 0.00 0.07 0.71 0.26 -1.51 0.00 0.00 177.10 176.63 1ddw s TRP 24 N 0.10 3.70 -0.17 2.20 0.52 -1.26 -0.27 118.94 123.76 1ddw s TRP 24 Ca 0.29 1.37 -0.00 0.00 0.02 0.00 0.00 56.10 57.78 1ddw s TRP 24 Cb -0.17 -2.76 -0.00 0.00 -1.15 0.00 0.00 33.47 29.39 1ddw s TRP 24 CO 0.15 0.26 -0.14 0.08 0.02 0.00 0.00 176.95 177.32 1ddw s VAL 25 N 0.05 2.70 0.35 4.03 1.01 0.27 -4.91 120.40 123.89 1ddw s VAL 25 Ca 0.36 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 1ddw s VAL 25 Cb -0.19 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 1ddw s VAL 25 CO 0.21 0.51 1.28 -2.84 0.00 0.00 0.00 175.10 174.25 1ddw s PRO 26 N 0.96 4.28 -0.06 2.72 0.02 -1.26 -0.86 135.00 140.80 1ddw s PRO 26 Ca -0.02 2.15 0.11 0.00 0.02 0.00 0.00 61.00 63.26 1ddw s PRO 26 Cb -0.15 -2.99 -0.16 0.00 0.02 0.00 0.00 34.50 31.21 1ddw s PRO 26 CO -0.02 -0.22 0.17 2.41 -0.33 0.00 0.00 177.00 179.00 1ddw n THR 27 N 0.65 0.33 -4.43 0.99 -1.04 0.29 -4.85 114.28 106.22 1ddw n THR 27 Ca 0.01 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.05 61.40 1ddw n THR 27 Cb 0.43 -0.18 -0.13 0.00 -1.82 0.00 0.00 70.33 68.63 1ddw n THR 27 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ddw s SER 28 N -3.80 2.71 -0.00 8.00 1.04 -1.15 -4.99 113.70 115.51 1ddw s SER 28 Ca -0.05 -0.65 0.12 0.00 0.48 0.00 0.00 55.95 55.85 1ddw s SER 28 Cb 0.06 -0.18 -0.21 0.00 0.10 0.00 0.00 66.02 65.78 1ddw s SER 28 CO 0.48 0.12 0.79 0.50 0.98 0.00 0.00 173.24 176.11 1ddw h LYS 29 N 4.28 0.00 -6.00 4.02 3.64 -1.93 -3.43 116.57 117.15 1ddw h LYS 29 Ca -0.46 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.38 1ddw h LYS 29 Cb 1.17 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1ddw h LYS 29 CO 0.41 0.55 -0.46 -1.01 -2.27 0.00 0.00 179.45 176.67 1ddw s HIS 30 N -2.65 2.65 0.36 1.91 3.76 -1.26 -5.08 115.29 114.98 1ddw s HIS 30 Ca -0.03 -0.55 -0.26 0.00 -0.15 0.00 0.00 55.06 54.07 1ddw s HIS 30 Cb 0.08 -2.02 -0.09 0.00 1.11 0.00 0.00 32.58 31.66 1ddw s HIS 30 CO 0.82 0.09 1.08 0.00 -0.85 0.00 0.00 174.74 175.88 1ddw s ALA 31 N -2.55 3.19 0.30 -1.40 0.00 -1.26 -4.59 121.76 115.44 1ddw s ALA 31 Ca 0.43 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.21 1ddw s ALA 31 Cb 0.01 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1ddw s ALA 31 CO 0.24 -0.23 0.08 0.14 0.00 0.00 0.00 175.76 175.99 1ddw s VAL 32 N -1.48 0.91 0.07 0.00 -7.23 0.20 -4.84 120.40 108.02 1ddw s VAL 32 Ca 0.54 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1ddw s VAL 32 Cb -0.26 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 1ddw s VAL 32 CO 0.33 0.00 1.07 -0.89 -0.31 0.00 0.00 175.10 175.30 1ddw s THR 33 N -3.48 4.37 -0.09 5.32 2.01 -1.26 -1.11 115.64 121.40 1ddw s THR 33 Ca 0.37 1.79 0.04 0.00 0.31 0.00 0.00 61.69 64.20 1ddw s THR 33 Cb 0.08 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.45 1ddw s THR 33 CO 0.15 0.19 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.37 1ddw s VAL 34 N 0.65 1.82 0.11 3.82 1.01 0.70 -4.18 120.40 124.33 1ddw s VAL 34 Ca 0.53 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1ddw s VAL 34 Cb -0.26 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1ddw s VAL 34 CO 0.30 0.51 -0.03 -0.44 0.00 0.00 0.00 175.10 175.44 1ddw s SER 35 N 0.39 0.98 -0.17 3.32 0.01 -0.37 -0.63 113.70 117.23 1ddw s SER 35 Ca -0.17 -1.07 -0.05 0.00 1.31 0.00 0.00 55.95 55.98 1ddw s SER 35 Cb -0.17 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1ddw s SER 35 CO 0.07 -0.54 -0.01 -0.31 0.41 0.00 0.00 173.24 172.87 1ddw s TYR 36 N -3.72 3.07 0.08 2.43 1.51 0.11 -1.07 117.35 119.76 1ddw s TYR 36 Ca 0.16 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1ddw s TYR 36 Cb 0.06 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1ddw s TYR 36 CO -0.03 -0.04 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.10 1ddw s PHE 37 N 0.50 1.83 -0.26 2.71 0.40 -0.34 -1.30 117.98 121.52 1ddw s PHE 37 Ca -0.02 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.85 1ddw s PHE 37 Cb -0.14 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 1ddw s PHE 37 CO 0.02 0.16 0.06 -0.47 0.70 0.00 0.00 175.22 175.69 1ddw s TYR 38 N -1.00 3.09 -0.46 0.36 5.04 0.62 -0.32 117.35 124.67 1ddw s TYR 38 Ca 0.07 -0.66 -0.17 0.00 -2.44 0.00 0.00 57.07 53.87 1ddw s TYR 38 Cb -0.09 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 40.03 1ddw s TYR 38 CO 0.03 -0.45 0.49 0.34 -1.34 0.00 0.00 175.55 174.62 1ddw s ASP 39 N 1.56 6.19 0.07 4.32 -1.08 0.13 0.19 116.67 128.05 1ddw s ASP 39 Ca 0.05 -0.93 0.26 0.00 -0.52 0.00 0.00 52.55 51.41 1ddw s ASP 39 Cb -0.16 -2.23 0.71 0.00 -1.46 0.00 0.00 42.92 39.78 1ddw s ASP 39 CO 0.02 -0.70 1.59 -1.54 0.52 0.00 0.00 175.17 175.06 1ddw n SER 40 N 5.68 0.47 0.16 -0.34 3.41 -0.56 0.15 113.62 122.59 1ddw n SER 40 Ca -0.08 0.19 0.02 0.00 -0.26 0.00 0.00 58.87 58.73 1ddw n SER 40 Cb 0.46 -0.15 0.21 0.00 -0.26 0.00 0.00 64.21 64.47 1ddw n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ddw h THR 41 N 0.00 1.13 -0.00 6.66 2.02 -1.92 -3.26 112.91 117.54 1ddw h THR 41 Ca 0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1ddw h THR 41 Cb 0.61 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1ddw h THR 41 CO 0.00 0.51 -0.03 0.54 0.37 0.00 0.00 175.52 176.90 1ddw n ARG 42 N -3.57 3.59 -3.36 6.66 1.74 -1.21 -5.05 116.66 115.46 1ddw n ARG 42 Ca -0.00 -0.24 -0.17 0.00 -0.77 0.00 0.00 57.85 56.67 1ddw n ARG 42 Cb 0.60 -0.75 0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1ddw n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddw n ASN 43 N -0.58 -4.52 -3.66 0.55 4.05 0.12 -5.03 115.26 106.20 1ddw n ASN 43 Ca 0.00 -0.70 -0.12 0.00 0.45 0.00 0.00 54.58 54.22 1ddw n ASN 43 Cb 0.03 -5.04 -0.06 0.00 1.23 0.00 0.00 39.78 35.94 1ddw n ASN 43 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1ddw s VAL 44 N -3.40 0.06 0.15 3.44 -7.23 -0.67 -4.98 120.40 107.77 1ddw s VAL 44 Ca 0.26 -0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.84 1ddw s VAL 44 Cb -0.04 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.84 1ddw s VAL 44 CO 0.75 -0.27 0.49 -0.31 -0.31 0.00 0.00 175.10 175.45 1ddw s TYR 45 N -2.76 3.54 0.03 2.82 1.51 -1.26 -0.70 117.35 120.53 1ddw s TYR 45 Ca -0.03 0.89 0.04 0.00 -1.01 0.00 0.00 57.07 56.96 1ddw s TYR 45 Cb -0.00 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1ddw s TYR 45 CO -0.04 0.41 -0.13 1.03 -1.11 0.00 0.00 175.55 175.71 1ddw s ARG 46 N -2.23 0.87 -0.29 -0.62 0.52 0.56 -1.45 118.95 116.31 1ddw s ARG 46 Ca 0.39 -0.69 -0.10 0.00 -0.52 0.00 0.00 55.73 54.81 1ddw s ARG 46 Cb -0.13 -0.85 -0.03 0.00 0.52 0.00 0.00 34.95 34.46 1ddw s ARG 46 CO 0.20 0.21 0.16 0.42 0.02 0.00 0.00 175.30 176.31 1ddw s ILE 47 N -0.81 4.95 -0.04 1.52 1.01 0.52 -1.20 121.20 127.16 1ddw s ILE 47 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1ddw s ILE 47 Cb -0.07 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.99 1ddw s ILE 47 CO 0.01 0.20 -0.18 -0.63 0.00 0.00 0.00 174.94 174.34 1ddw s ILE 48 N 1.70 1.47 -0.12 2.92 1.01 -0.23 -0.57 121.20 127.37 1ddw s ILE 48 Ca 0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1ddw s ILE 48 Cb -0.16 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.09 1ddw s ILE 48 CO 0.08 0.42 0.30 -0.55 0.00 0.00 0.00 174.94 175.20 1ddw s SER 49 N 0.04 -0.34 0.06 3.58 0.15 -0.53 -1.24 113.70 115.43 1ddw s SER 49 Ca -0.04 0.63 0.09 0.00 0.70 0.00 0.00 55.95 57.33 1ddw s SER 49 Cb -0.12 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1ddw s SER 49 CO 0.02 -0.15 -0.25 -0.76 1.20 0.00 0.00 173.24 173.30 1ddw s LEU 50 N 0.94 2.19 -0.35 3.45 1.43 -1.26 0.03 118.68 125.10 1ddw s LEU 50 Ca -0.06 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1ddw s LEU 50 Cb -0.07 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 45.01 1ddw s LEU 50 CO -0.07 0.22 0.11 -0.62 0.23 0.00 0.00 176.35 176.22 1ddw s ASP 51 N -1.36 5.16 1.63 2.29 -1.08 0.45 -4.60 116.67 119.15 1ddw s ASP 51 Ca 0.11 -1.49 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 1ddw s ASP 51 Cb -0.10 -1.80 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 1ddw s ASP 51 CO 0.03 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.94 1ddw n GLY 52 N 4.68 2.81 1.41 2.66 0.00 -1.26 -1.25 105.19 114.24 1ddw n GLY 52 Ca -0.09 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.77 1ddw n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ddw n SER 53 N 6.90 4.59 -4.39 1.61 3.41 -1.26 -4.91 113.62 119.57 1ddw n SER 53 Ca 0.00 -2.61 -0.38 0.00 -0.26 0.00 0.00 58.87 55.62 1ddw n SER 53 Cb 0.00 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.28 1ddw n SER 53 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ddw s LYS 54 N -2.13 3.16 -0.02 4.33 2.20 -0.38 -5.05 119.74 121.85 1ddw s LYS 54 Ca 0.47 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1ddw s LYS 54 Cb 0.33 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.08 1ddw s LYS 54 CO 0.19 -0.47 1.53 0.00 -0.36 0.00 0.00 175.35 176.25 1ddw s ALA 55 N 1.56 3.62 -0.45 3.13 0.00 -1.26 -0.41 121.76 127.95 1ddw s ALA 55 Ca 0.03 0.93 0.10 0.00 0.00 0.00 0.00 51.96 53.03 1ddw s ALA 55 Cb -0.17 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.16 1ddw s ALA 55 CO 0.05 -1.16 0.42 0.44 0.00 0.00 0.00 175.76 175.51 1ddw n ILE 56 N 5.04 0.00 -3.75 0.00 -5.35 0.10 -4.93 119.36 110.48 1ddw n ILE 56 Ca 0.15 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1ddw n ILE 56 Cb 0.43 0.95 -0.13 0.00 -1.74 0.00 0.00 39.64 39.14 1ddw n ILE 56 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ddw s ILE 57 N -2.02 -0.03 -0.44 7.28 1.01 -0.94 -4.95 121.20 121.11 1ddw s ILE 57 Ca 0.03 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1ddw s ILE 57 Cb 0.08 -0.35 0.27 0.00 0.01 0.00 0.00 42.46 42.47 1ddw s ILE 57 CO 0.42 0.05 0.79 -3.20 0.00 0.00 0.00 174.94 173.00 1ddw n ASN 58 N 3.94 -1.41 -4.55 3.58 4.05 -1.18 -1.45 115.26 118.24 1ddw n ASN 58 Ca -0.23 -3.15 -0.40 0.00 0.45 0.00 0.00 54.58 51.25 1ddw n ASN 58 Cb 0.54 0.79 -0.09 0.00 1.23 0.00 0.00 39.78 42.24 1ddw n ASN 58 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1ddw s SER 59 N -1.56 6.17 0.08 1.20 0.15 0.26 -4.86 113.70 115.14 1ddw s SER 59 Ca 0.32 -0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.51 1ddw s SER 59 Cb 0.24 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 1ddw s SER 59 CO -0.15 -0.29 1.11 -0.89 1.20 0.00 0.00 173.24 174.22 1ddw s THR 60 N 1.99 4.22 -0.10 6.45 2.01 -1.26 -0.35 115.64 128.60 1ddw s THR 60 Ca 0.12 1.67 -0.26 0.00 0.31 0.00 0.00 61.69 63.53 1ddw s THR 60 Cb -0.16 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1ddw s THR 60 CO 0.11 0.17 0.82 -0.63 -0.69 0.00 0.00 174.62 174.41 1ddw s ILE 61 N 0.68 4.94 0.24 1.82 1.01 -0.53 -4.97 121.20 124.39 1ddw s ILE 61 Ca 0.54 1.66 0.10 0.00 0.00 0.00 0.00 60.65 62.95 1ddw s ILE 61 Cb -0.27 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1ddw s ILE 61 CO 0.30 0.13 -0.07 0.42 0.00 0.00 0.00 174.94 175.73 1ddw s THR 62 N 1.44 3.21 0.57 2.92 -4.23 -1.26 -4.64 115.64 113.64 1ddw s THR 62 Ca 0.41 -1.90 0.33 0.00 -1.18 0.00 0.00 61.69 59.35 1ddw s THR 62 Cb -0.18 -2.67 0.48 0.00 1.34 0.00 0.00 72.50 71.47 1ddw s THR 62 CO 0.18 -0.28 1.78 1.55 -0.54 0.00 0.00 174.62 177.31 1ddw h PRO 63 N 2.31 0.00 -3.74 3.99 0.13 -1.85 -3.46 132.00 129.38 1ddw h PRO 63 Ca -0.44 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 1ddw h PRO 63 Cb 1.23 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.01 1ddw h PRO 63 CO 0.58 0.00 -0.42 -0.80 -0.23 0.00 0.00 178.00 177.13 1ddw s ASN 64 N -5.01 5.17 0.00 1.44 0.01 -1.26 -4.89 114.94 110.39 1ddw s ASN 64 Ca -0.04 -2.72 0.00 0.00 -0.71 0.00 0.00 52.86 49.39 1ddw s ASN 64 Cb 0.19 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 40.02 1ddw s ASN 64 CO 0.68 -0.39 0.00 1.07 -1.51 0.00 0.00 177.10 176.95 1ddw n THR 66 N 3.66 0.00 -3.68 1.60 5.66 -1.26 -5.12 114.28 115.14 1ddw n THR 66 Ca 0.06 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.70 1ddw n THR 66 Cb 0.38 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.07 1ddw n THR 66 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1ddw s PHE 67 N -0.79 3.36 -0.12 1.09 5.36 -1.26 -4.31 117.98 121.31 1ddw s PHE 67 Ca 0.00 0.29 0.02 0.00 -0.96 0.00 0.00 56.93 56.28 1ddw s PHE 67 Cb 0.00 -2.24 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1ddw s PHE 67 CO 0.00 0.16 -0.19 0.99 -1.46 0.00 0.00 175.22 174.72 1ddw s THR 68 N 0.77 2.48 0.09 0.12 2.01 0.75 -4.95 115.64 116.91 1ddw s THR 68 Ca 0.08 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1ddw s THR 68 Cb -0.13 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1ddw s THR 68 CO 0.02 0.54 0.98 -0.54 -0.69 0.00 0.00 174.62 174.94 1ddw s LYS 69 N 0.39 4.65 -0.04 4.92 1.02 -1.26 -0.80 119.74 128.62 1ddw s LYS 69 Ca -0.15 1.48 0.13 0.00 0.02 0.00 0.00 55.97 57.45 1ddw s LYS 69 Cb -0.17 -3.39 -0.19 0.00 -0.52 0.00 0.00 37.83 33.56 1ddw s LYS 69 CO 0.07 0.13 0.23 2.41 -0.92 0.00 0.00 175.35 177.27 1ddw n THR 70 N 3.05 0.18 -3.49 2.17 -1.04 0.43 -4.96 114.28 110.62 1ddw n THR 70 Ca 0.03 -0.34 -0.04 0.00 -2.04 0.00 0.00 64.05 61.66 1ddw n THR 70 Cb 0.49 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1ddw n THR 70 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ddw n SER 71 N -2.06 -0.71 0.00 8.00 3.41 -1.03 -4.95 113.62 116.28 1ddw n SER 71 Ca -0.06 -1.65 0.11 0.00 -0.26 0.00 0.00 58.87 57.01 1ddw n SER 71 Cb 0.46 1.23 0.54 0.00 -0.26 0.00 0.00 64.21 66.19 1ddw n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddw n GLN 72 N -0.21 0.20 0.00 4.33 1.13 -1.26 -3.84 117.38 117.73 1ddw n GLN 72 Ca -0.02 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1ddw n GLN 72 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1ddw n GLN 72 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ddw n LYS 73 N -1.37 1.35 -4.78 -1.09 5.02 -1.26 -3.21 118.16 112.83 1ddw n LYS 73 Ca 0.09 -0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 1ddw n LYS 73 Cb 0.21 -0.35 -0.15 0.00 -0.02 0.00 0.00 35.03 34.73 1ddw n LYS 73 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1ddw s PHE 74 N -0.21 1.79 0.14 2.13 5.36 -1.25 -0.30 117.98 125.64 1ddw s PHE 74 Ca 0.00 -0.36 -0.08 0.00 -0.96 0.00 0.00 56.93 55.53 1ddw s PHE 74 Cb 0.00 -1.10 -0.01 0.00 -0.34 0.00 0.00 43.02 41.57 1ddw s PHE 74 CO 0.00 0.04 0.24 0.20 -1.46 0.00 0.00 175.22 174.24 1ddw s GLY 75 N -0.88 0.38 0.17 13.12 0.00 -0.81 -0.43 107.32 118.87 1ddw s GLY 75 Ca 0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 1ddw s GLY 75 CO 0.01 -0.86 0.17 -0.86 0.00 0.00 0.00 173.10 171.56 1ddw s GLN 76 N -3.94 1.11 -0.05 2.90 -2.07 0.02 -0.50 119.66 117.12 1ddw s GLN 76 Ca 0.13 -1.40 -0.24 0.00 -1.82 0.00 0.00 55.36 52.03 1ddw s GLN 76 Cb 0.04 0.30 0.05 0.00 -1.09 0.00 0.00 33.01 32.32 1ddw s GLN 76 CO -0.04 -0.37 0.54 1.67 -1.32 0.00 0.00 175.29 175.78 1ddw s TRP 77 N -4.05 -0.49 0.06 9.60 -2.14 -0.46 -0.18 118.94 121.28 1ddw s TRP 77 Ca 0.26 0.86 -0.19 0.00 2.66 0.00 0.00 56.10 59.69 1ddw s TRP 77 Cb 0.06 0.28 -0.06 0.00 -3.10 0.00 0.00 33.47 30.65 1ddw s TRP 77 CO 0.04 -0.51 0.56 0.00 -2.66 0.00 0.00 176.95 174.39 1ddw s ALA 78 N -1.11 3.58 -0.13 2.67 0.00 -1.26 -0.60 121.76 124.91 1ddw s ALA 78 Ca -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1ddw s ALA 78 Cb -0.02 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1ddw s ALA 78 CO 0.07 0.38 -0.05 0.34 0.00 0.00 0.00 175.76 176.50 1ddw s ASP 79 N -0.99 2.42 0.29 0.00 -1.08 -0.22 -4.83 116.67 112.26 1ddw s ASP 79 Ca 0.29 -0.46 0.15 0.00 -0.52 0.00 0.00 52.55 52.02 1ddw s ASP 79 Cb -0.19 -0.80 0.16 0.00 -1.46 0.00 0.00 42.92 40.63 1ddw s ASP 79 CO 0.18 -0.17 1.49 0.28 0.52 0.00 0.00 175.17 177.47 1ddw h SER 80 N 8.18 0.00 -0.46 -0.34 0.02 -1.95 0.94 113.55 119.94 1ddw h SER 80 Ca -0.25 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.58 1ddw h SER 80 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1ddw h SER 80 CO 0.38 0.50 -0.16 0.08 -1.14 0.00 0.00 176.83 176.49 1ddw h ARG 81 N 0.00 0.91 -0.01 3.45 0.11 -1.97 -2.99 114.38 113.89 1ddw h ARG 81 Ca -0.00 -0.38 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1ddw h ARG 81 Cb 1.32 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1ddw h ARG 81 CO 0.06 1.03 -0.41 0.00 0.10 0.00 0.00 179.97 180.76 1ddw n ALA 82 N -2.49 3.41 -3.55 0.08 0.00 -1.23 -4.99 120.51 111.74 1ddw n ALA 82 Ca -0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 1ddw n ALA 82 Cb 0.42 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 19.00 1ddw n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ddw n ASN 83 N -0.27 -5.05 -1.04 0.00 5.15 0.18 -5.00 115.26 109.23 1ddw n ASN 83 Ca 0.10 -0.89 -0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1ddw n ASN 83 Cb 0.42 -4.08 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 1ddw n ASN 83 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ddw n THR 84 N -3.89 0.00 -4.02 -0.44 5.66 -0.34 -5.01 114.28 106.24 1ddw n THR 84 Ca -0.12 -0.03 -0.21 0.00 -3.05 0.00 0.00 64.05 60.64 1ddw n THR 84 Cb 0.61 0.02 -0.17 0.00 -1.55 0.00 0.00 70.33 69.25 1ddw n THR 84 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1ddw s VAL 85 N -2.74 0.49 0.05 1.08 1.01 -1.26 -1.05 120.40 117.96 1ddw s VAL 85 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1ddw s VAL 85 Cb -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1ddw s VAL 85 CO 0.00 0.24 0.30 -0.31 0.00 0.00 0.00 175.10 175.33 1ddw s TYR 86 N 1.27 3.55 0.00 5.22 1.51 0.23 -1.64 117.35 127.50 1ddw s TYR 86 Ca -0.06 0.55 0.04 0.00 -1.01 0.00 0.00 57.07 56.60 1ddw s TYR 86 Cb -0.14 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 1ddw s TYR 86 CO -0.02 0.57 -0.12 0.20 -1.11 0.00 0.00 175.55 175.06 1ddw s GLY 87 N -1.94 0.62 -0.09 0.71 0.00 0.11 -1.35 107.32 105.39 1ddw s GLY 87 Ca 0.32 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.48 1ddw s GLY 87 CO 0.19 -0.50 -0.13 1.08 0.00 0.00 0.00 173.10 173.74 1ddw s LEU 88 N -0.46 1.61 -0.26 0.66 1.43 0.34 -0.46 118.68 121.53 1ddw s LEU 88 Ca 0.04 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1ddw s LEU 88 Cb -0.05 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 1ddw s LEU 88 CO -0.00 0.01 0.03 -0.83 0.23 0.00 0.00 176.35 175.79 1ddw s GLY 89 N 0.90 1.72 0.31 -3.19 0.00 0.01 -1.92 107.32 105.16 1ddw s GLY 89 Ca -0.10 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.35 1ddw s GLY 89 CO 0.01 0.55 0.48 -1.36 0.00 0.00 0.00 173.10 172.78 1ddw s PHE 90 N 1.50 3.43 -0.02 1.90 0.40 0.59 -1.46 117.98 124.33 1ddw s PHE 90 Ca 0.04 0.16 0.25 0.00 -0.60 0.00 0.00 56.93 56.78 1ddw s PHE 90 Cb -0.16 -1.81 0.81 0.00 0.51 0.00 0.00 43.02 42.37 1ddw s PHE 90 CO 0.00 0.20 1.77 0.66 0.70 0.00 0.00 175.22 178.56 1ddw h SER 91 N 0.90 0.00 -5.06 1.36 4.64 -1.86 -3.46 113.55 110.07 1ddw h SER 91 Ca -0.50 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 1ddw h SER 91 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 1ddw h SER 91 CO 0.60 0.17 -0.11 -0.94 -0.87 0.00 0.00 176.83 175.68 1ddw s SER 92 N -6.11 -0.24 0.40 4.97 1.04 -1.26 -5.03 113.70 107.47 1ddw s SER 92 Ca 0.02 -0.17 0.09 0.00 0.48 0.00 0.00 55.95 56.37 1ddw s SER 92 Cb 0.09 0.44 0.87 0.00 0.10 0.00 0.00 66.02 67.51 1ddw s SER 92 CO 0.63 -0.74 1.99 1.05 0.98 0.00 0.00 173.24 177.15 1ddw h GLU 93 N 2.73 0.57 -0.67 4.02 4.11 -1.88 -1.59 114.58 121.88 1ddw h GLU 93 Ca -0.33 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.06 1ddw h GLU 93 Cb 1.23 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1ddw h GLU 93 CO 0.46 0.38 0.39 0.45 0.07 0.00 0.00 179.01 180.76 1ddw h HIS 94 N 0.59 0.88 -0.16 2.06 3.86 -1.96 0.27 115.15 120.69 1ddw h HIS 94 Ca 0.26 -0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.26 1ddw h HIS 94 Cb 0.26 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1ddw h HIS 94 CO -0.00 0.60 -0.72 0.45 0.86 0.00 0.00 177.93 179.12 1ddw h HIS 95 N 0.93 0.96 -0.33 2.45 3.86 -1.69 -1.34 115.15 119.98 1ddw h HIS 95 Ca 0.24 -0.40 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 1ddw h HIS 95 Cb -0.02 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1ddw h HIS 95 CO 0.00 1.22 0.11 1.25 0.86 0.00 0.00 177.93 181.37 1ddw h LEU 96 N 0.51 0.47 -0.61 2.43 5.85 -1.07 -1.59 115.31 121.30 1ddw h LEU 96 Ca -0.03 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1ddw h LEU 96 Cb 1.33 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1ddw h LEU 96 CO 0.14 0.54 0.33 -1.28 -0.34 0.00 0.00 178.44 177.84 1ddw h SER 97 N 0.38 0.50 -0.34 1.25 0.87 -0.40 -1.55 113.55 114.25 1ddw h SER 97 Ca 0.11 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 1ddw h SER 97 Cb 0.23 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ddw h SER 97 CO -0.00 0.33 -0.38 0.50 -0.53 0.00 0.00 176.83 176.74 1ddw h LYS 98 N 0.63 0.89 -0.55 2.24 1.63 -1.11 -2.27 116.57 118.04 1ddw h LYS 98 Ca 0.27 -0.47 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 1ddw h LYS 98 Cb 0.15 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1ddw h LYS 98 CO -0.16 1.12 0.32 0.35 -3.45 0.00 0.00 179.45 177.62 1ddw h PHE 99 N 0.73 0.73 -0.33 1.91 3.57 -0.82 -2.33 116.94 120.41 1ddw h PHE 99 Ca 0.06 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1ddw h PHE 99 Cb 0.97 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1ddw h PHE 99 CO 0.06 0.51 0.06 0.00 -2.23 0.00 0.00 178.31 176.71 1ddw h ALA 100 N 1.15 1.50 -0.18 2.41 0.00 -1.21 -1.48 119.26 121.46 1ddw h ALA 100 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ddw h ALA 100 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ddw h ALA 100 CO -0.03 0.37 -0.03 1.49 0.00 0.00 0.00 179.25 181.04 1ddw h GLU 101 N 0.47 0.33 -0.78 0.00 4.81 -0.94 -2.60 114.58 115.87 1ddw h GLU 101 Ca 0.11 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1ddw h GLU 101 Cb 0.21 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ddw h GLU 101 CO -0.00 0.59 0.42 0.87 -0.73 0.00 0.00 179.01 180.16 1ddw h LYS 102 N 0.05 1.09 -0.23 1.92 1.79 -1.21 -2.43 116.57 117.55 1ddw h LYS 102 Ca 0.05 -0.12 0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1ddw h LYS 102 Cb 0.46 -0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 1ddw h LYS 102 CO 0.02 0.80 -0.10 0.35 -1.08 0.00 0.00 179.45 179.44 1ddw h PHE 103 N 1.10 -0.24 -0.90 -1.35 3.57 -1.08 -2.10 116.94 115.92 1ddw h PHE 103 Ca 0.28 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.84 1ddw h PHE 103 Cb 0.03 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1ddw h PHE 103 CO 0.01 -0.16 0.58 0.37 -2.23 0.00 0.00 178.31 176.88 1ddw h GLN 104 N -0.07 1.08 0.10 1.11 5.75 -1.06 -2.14 115.11 119.88 1ddw h GLN 104 Ca 0.12 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1ddw h GLN 104 Cb 0.25 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1ddw h GLN 104 CO -0.27 0.72 -0.14 0.93 -2.65 0.00 0.00 178.83 177.41 1ddw h GLU 105 N 1.11 -0.28 0.00 1.69 5.08 -0.95 -2.70 114.58 118.54 1ddw h GLU 105 Ca 0.37 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1ddw h GLU 105 Cb 0.04 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ddw h GLU 105 CO -0.13 -0.18 0.00 1.19 -1.00 0.00 0.00 179.01 178.89 1ddw n PHE 106 N -5.26 0.00 0.06 4.33 0.99 -0.99 -2.47 117.46 114.12 1ddw n PHE 106 Ca -0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.19 1ddw n PHE 106 Cb 0.18 -0.49 -0.09 0.00 -1.00 0.00 0.00 39.48 38.08 1ddw n PHE 106 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1ddw h LYS 107 N 0.00 0.61 -0.42 -1.08 3.64 -1.07 -2.70 116.57 115.54 1ddw h LYS 107 Ca 0.00 -0.68 -0.15 0.00 -1.27 0.00 0.00 60.65 58.55 1ddw h LYS 107 Cb 0.39 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1ddw h LYS 107 CO 0.00 1.28 -0.32 0.93 -2.27 0.00 0.00 179.45 179.07 1ddw h GLU 108 N 0.33 0.96 -0.40 1.90 5.08 -1.27 -2.02 114.58 119.17 1ddw h GLU 108 Ca -0.13 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.75 1ddw h GLU 108 Cb 1.71 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1ddw h GLU 108 CO 0.20 1.13 0.17 0.00 -1.00 0.00 0.00 179.01 179.51 1ddw h ALA 109 N 0.82 1.56 -0.29 3.43 0.00 -1.53 -2.04 119.26 121.21 1ddw h ALA 109 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ddw h ALA 109 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ddw h ALA 109 CO 0.08 0.35 0.08 0.00 0.00 0.00 0.00 179.25 179.77 1ddw h ALA 110 N 1.64 0.38 0.00 0.00 0.00 -1.10 -3.51 119.26 116.67 1ddw h ALA 110 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ddw h ALA 110 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ddw h ALA 110 CO -0.02 0.03 0.00 -2.13 0.00 0.00 0.00 179.25 177.13