#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4b n GLU 2 N 0.00 2.39 -1.87 2.12 1.02 -1.26 -4.82 120.64 118.22 1d4b n GLU 2 Ca 0.00 -4.56 -0.02 0.00 -0.02 0.00 0.00 57.16 52.56 1d4b n GLU 2 Cb 0.00 -2.17 0.06 0.00 -0.02 0.00 0.00 31.44 29.31 1d4b n GLU 2 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1d4b n TYR 3 N 0.87 0.94 -3.62 -0.32 4.01 -1.26 -5.06 117.16 112.73 1d4b n TYR 3 Ca 0.29 -1.55 -0.09 0.00 -0.16 0.00 0.00 57.90 56.39 1d4b n TYR 3 Cb 0.42 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1d4b n TYR 3 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1d4b s LEU 4 N -2.52 -0.40 0.09 7.72 2.34 -1.26 -5.10 118.68 119.55 1d4b s LEU 4 Ca 0.36 0.66 0.00 0.00 0.06 0.00 0.00 54.13 55.21 1d4b s LEU 4 Cb 0.37 1.83 0.00 0.00 -0.56 0.00 0.00 46.19 47.83 1d4b s LEU 4 CO -0.07 -0.21 0.00 -0.24 -1.06 0.00 0.00 176.35 174.77 1d4b n SER 5 N 1.64 0.41 0.00 1.48 2.88 -1.26 -5.14 113.62 113.63 1d4b n SER 5 Ca -0.11 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1d4b n SER 5 Cb 0.57 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1d4b n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d4b n ALA 6 N -3.06 0.00 -3.21 -1.46 0.00 -1.26 -5.18 120.51 106.34 1d4b n ALA 6 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1d4b n ALA 6 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1d4b n ALA 6 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1d4b s LEU 7 N 0.00 0.19 -0.88 0.00 0.20 -1.26 -5.10 118.68 111.83 1d4b s LEU 7 Ca 0.00 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.33 1d4b s LEU 7 Cb 0.00 2.02 0.22 0.00 -0.43 0.00 0.00 46.19 48.00 1d4b s LEU 7 CO 0.00 -1.01 0.77 0.59 -0.29 0.00 0.00 176.35 176.42 1d4b n ASN 8 N -0.31 4.12 -4.27 3.68 4.13 -1.26 -4.98 115.26 116.36 1d4b n ASN 8 Ca -0.11 -3.16 -0.37 0.00 1.68 0.00 0.00 54.58 52.63 1d4b n ASN 8 Cb 0.63 -1.02 -0.04 0.00 -1.54 0.00 0.00 39.78 37.81 1d4b n ASN 8 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1d4b n PRO 9 N 2.20 2.12 -3.76 3.52 -0.04 -1.26 -4.91 135.00 132.87 1d4b n PRO 9 Ca 0.22 -2.55 -0.37 0.00 -0.04 0.00 0.00 63.50 60.76 1d4b n PRO 9 Cb 0.37 -3.44 -0.13 0.00 -0.04 0.00 0.00 33.50 30.26 1d4b n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1d4b s SER 10 N 5.22 5.09 -0.35 3.54 0.15 -1.26 -4.93 113.70 121.16 1d4b s SER 10 Ca 0.60 -0.28 0.11 0.00 0.70 0.00 0.00 55.95 57.08 1d4b s SER 10 Cb 0.06 -1.91 0.38 0.00 -1.71 0.00 0.00 66.02 62.84 1d4b s SER 10 CO 0.09 -0.06 1.43 -0.67 1.20 0.00 0.00 173.24 175.24 1d4b n ASP 11 N 4.91 -1.56 -4.05 5.45 2.03 -1.26 -5.07 116.55 117.00 1d4b n ASP 11 Ca -0.16 -2.25 -0.34 0.00 0.52 0.00 0.00 54.79 52.56 1d4b n ASP 11 Cb 0.51 0.79 -0.11 0.00 -0.72 0.00 0.00 41.12 41.59 1d4b n ASP 11 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1d4b s LEU 12 N -3.61 4.94 -0.30 -2.67 2.01 -1.26 -5.00 118.68 112.79 1d4b s LEU 12 Ca 0.13 -2.86 -0.01 0.00 0.01 0.00 0.00 54.13 51.41 1d4b s LEU 12 Cb 0.41 -1.78 0.19 0.00 0.01 0.00 0.00 46.19 45.02 1d4b s LEU 12 CO -0.11 -0.33 0.69 -0.22 1.01 0.00 0.00 176.35 177.39 1d4b s LEU 13 N -0.07 -1.28 -0.28 1.79 2.96 -1.26 -5.15 118.68 115.39 1d4b s LEU 13 Ca 0.16 0.44 -0.23 0.00 -0.22 0.00 0.00 54.13 54.28 1d4b s LEU 13 Cb -0.22 1.93 0.12 0.00 0.50 0.00 0.00 46.19 48.52 1d4b s LEU 13 CO -0.03 -0.24 0.99 -0.60 -1.32 0.00 0.00 176.35 175.16 1d4b s ARG 14 N 2.87 0.52 -0.27 1.98 3.52 -1.26 -5.14 118.95 121.17 1d4b s ARG 14 Ca 0.15 0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 56.39 1d4b s ARG 14 Cb -0.11 0.23 0.12 0.00 -1.56 0.00 0.00 34.95 33.63 1d4b s ARG 14 CO -0.22 -0.07 0.25 0.45 -0.81 0.00 0.00 175.30 174.90 1d4b s SER 15 N 0.44 1.84 0.08 -2.12 0.15 -1.26 -5.14 113.70 107.69 1d4b s SER 15 Ca 0.01 -0.68 0.05 0.00 0.70 0.00 0.00 55.95 56.03 1d4b s SER 15 Cb -0.05 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1d4b s SER 15 CO -0.07 -0.38 -0.05 -0.69 1.20 0.00 0.00 173.24 173.25 1d4b s VAL 16 N 2.32 3.72 -0.17 4.45 1.01 -1.26 -5.12 120.40 125.34 1d4b s VAL 16 Ca 0.09 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1d4b s VAL 16 Cb -0.15 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.55 1d4b s VAL 16 CO -0.28 0.18 0.51 -0.44 0.00 0.00 0.00 175.10 175.06 1d4b s SER 17 N -2.08 -0.52 -0.30 3.32 0.01 -1.26 -5.13 113.70 107.74 1d4b s SER 17 Ca 0.22 0.96 -0.00 0.00 1.31 0.00 0.00 55.95 58.44 1d4b s SER 17 Cb -0.11 0.98 0.14 0.00 0.21 0.00 0.00 66.02 67.23 1d4b s SER 17 CO 0.14 -0.21 0.30 0.20 0.41 0.00 0.00 173.24 174.08 1d4b s ASN 18 N 0.11 1.64 0.00 2.44 0.01 -1.26 -5.02 114.94 112.85 1d4b s ASN 18 Ca -0.01 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 1d4b s ASN 18 Cb -0.03 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.13 1d4b s ASN 18 CO 0.01 -0.38 0.00 0.00 -1.51 0.00 0.00 177.10 175.23 1d4b n ILE 19 N 5.19 0.00 -2.93 0.60 3.06 -1.26 -5.10 119.36 118.92 1d4b n ILE 19 Ca -0.01 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.12 1d4b n ILE 19 Cb 0.46 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.63 1d4b n ILE 19 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1d4b n SER 20 N 0.00 -2.21 -4.24 9.51 3.41 -1.26 -5.14 113.62 113.69 1d4b n SER 20 Ca 0.00 -2.92 -0.13 0.00 -0.26 0.00 0.00 58.87 55.55 1d4b n SER 20 Cb 0.00 1.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.87 1d4b n SER 20 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1d4b s SER 21 N -0.45 1.18 -0.05 4.04 0.01 -1.26 -5.16 113.70 112.02 1d4b s SER 21 Ca 0.32 -1.17 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 1d4b s SER 21 Cb 0.11 0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.50 1d4b s SER 21 CO -0.15 -0.57 0.09 -1.61 0.41 0.00 0.00 173.24 171.41 1d4b s GLU 22 N -3.92 0.02 0.33 12.44 2.02 -1.26 -5.16 118.70 123.18 1d4b s GLU 22 Ca 0.24 0.31 0.09 0.00 0.02 0.00 0.00 54.97 55.63 1d4b s GLU 22 Cb 0.06 -0.23 -0.05 0.00 0.10 0.00 0.00 34.13 34.00 1d4b s GLU 22 CO 0.04 -0.19 -0.01 -0.06 0.02 0.00 0.00 175.26 175.06 1d4b s PHE 23 N 1.26 2.53 -0.03 1.61 0.40 -1.26 -5.15 117.98 117.35 1d4b s PHE 23 Ca -0.08 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.54 1d4b s PHE 23 Cb -0.12 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 42.06 1d4b s PHE 23 CO -0.05 0.51 0.76 0.20 0.70 0.00 0.00 175.22 177.34 1d4b s GLY 24 N -3.69 -0.51 0.00 4.36 0.00 -1.26 -5.08 107.32 101.15 1d4b s GLY 24 Ca 0.34 1.26 0.00 0.00 0.00 0.00 0.00 44.72 46.33 1d4b s GLY 24 CO 0.19 0.74 0.00 -2.13 0.00 0.00 0.00 173.10 171.89 1d4b n ARG 25 N 0.47 0.00 -3.78 2.90 0.63 -1.26 -5.04 116.66 110.58 1d4b n ARG 25 Ca -0.15 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.44 1d4b n ARG 25 Cb 0.59 -0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.40 1d4b n ARG 25 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1d4b s ARG 26 N -2.00 2.52 -0.49 -0.14 3.52 -1.26 -4.94 118.95 116.16 1d4b s ARG 26 Ca 0.00 -2.76 0.08 0.00 -0.13 0.00 0.00 55.73 52.92 1d4b s ARG 26 Cb 0.00 -3.63 0.32 0.00 -1.56 0.00 0.00 34.95 30.07 1d4b s ARG 26 CO 0.00 -1.18 0.79 0.28 -0.81 0.00 0.00 175.30 174.38 1d4b n VAL 27 N 3.06 1.40 -3.18 7.11 0.31 -1.26 -5.01 118.33 120.75 1d4b n VAL 27 Ca 0.10 -5.00 0.04 0.00 -0.01 0.00 0.00 64.34 59.48 1d4b n VAL 27 Cb 0.36 -1.19 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 1d4b n VAL 27 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1d4b s TRP 28 N -2.68 -1.12 0.04 3.52 -0.11 -1.26 -5.17 118.94 112.17 1d4b s TRP 28 Ca 0.43 1.25 0.02 0.00 1.22 0.00 0.00 56.10 59.03 1d4b s TRP 28 Cb 0.27 0.42 -0.02 0.00 -1.50 0.00 0.00 33.47 32.63 1d4b s TRP 28 CO -0.10 -0.61 -0.08 -0.08 -4.62 0.00 0.00 176.95 171.46 1d4b s THR 29 N 2.88 0.58 0.00 5.86 -1.32 -1.26 -5.04 115.64 117.33 1d4b s THR 29 Ca 0.10 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.57 1d4b s THR 29 Cb -0.13 -0.64 0.13 0.00 -1.51 0.00 0.00 72.50 70.36 1d4b s THR 29 CO -0.17 -0.37 0.96 -1.20 -2.21 0.00 0.00 174.62 171.64 1d4b n SER 30 N 1.46 -0.09 -3.54 8.08 7.64 -1.26 -5.13 113.62 120.79 1d4b n SER 30 Ca -0.23 -1.82 -0.03 0.00 1.01 0.00 0.00 58.87 57.80 1d4b n SER 30 Cb 0.55 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1d4b n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d4b s ALA 31 N 0.00 -1.64 0.99 -0.43 0.00 -1.26 -5.17 121.76 114.26 1d4b s ALA 31 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.84 1d4b s ALA 31 Cb 0.12 0.68 0.18 0.00 0.00 0.00 0.00 23.12 24.10 1d4b s ALA 31 CO -0.05 -1.05 1.13 -1.25 0.00 0.00 0.00 175.76 174.53 1d4b s PRO 32 N -2.68 0.48 0.57 0.00 0.04 -1.26 -5.01 135.00 127.14 1d4b s PRO 32 Ca 0.17 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 1d4b s PRO 32 Cb -0.02 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1d4b s PRO 32 CO 0.04 -2.64 1.08 -1.25 0.04 0.00 0.00 177.00 174.26 1d4b s PRO 33 N -5.23 3.35 0.93 0.56 0.04 -1.26 -5.03 135.00 128.36 1d4b s PRO 33 Ca 0.66 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1d4b s PRO 33 Cb -0.15 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.52 1d4b s PRO 33 CO 0.55 -0.80 1.11 -1.25 0.04 0.00 0.00 177.00 176.65 1d4b s PRO 34 N -3.72 0.97 0.23 0.56 0.04 -1.26 -4.86 135.00 126.96 1d4b s PRO 34 Ca 0.67 0.45 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 1d4b s PRO 34 Cb -0.18 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1d4b s PRO 34 CO 0.32 -2.35 1.10 -1.14 0.04 0.00 0.00 177.00 174.97 1d4b s GLN 35 N -5.12 4.62 -0.03 4.56 0.74 -1.26 -4.79 119.66 118.38 1d4b s GLN 35 Ca 0.64 1.76 -0.02 0.00 0.05 0.00 0.00 55.36 57.79 1d4b s GLN 35 Cb -0.16 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.73 1d4b s GLN 35 CO 0.55 0.15 0.08 0.50 -0.55 0.00 0.00 175.29 176.02 1d4b s ARG 36 N -0.91 0.08 -0.69 1.67 6.06 -1.25 -4.99 118.95 118.92 1d4b s ARG 36 Ca 0.47 0.14 -0.26 0.00 -2.50 0.00 0.00 55.73 53.57 1d4b s ARG 36 Cb -0.31 0.00 -0.00 0.00 0.06 0.00 0.00 34.95 34.70 1d4b s ARG 36 CO 0.38 -0.04 1.64 -1.25 -2.50 0.00 0.00 175.30 173.54 1d4b s PRO 37 N 0.23 2.86 -0.30 5.12 0.04 -1.26 -2.20 135.00 139.47 1d4b s PRO 37 Ca -0.02 0.19 -0.23 0.00 0.04 0.00 0.00 61.00 60.99 1d4b s PRO 37 Cb -0.02 -4.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.12 1d4b s PRO 37 CO -0.01 -2.55 0.75 -0.06 0.04 0.00 0.00 177.00 175.18 1d4b s PHE 38 N 7.80 3.21 -0.47 0.56 0.08 -0.70 -4.90 117.98 123.56 1d4b s PHE 38 Ca 0.55 0.77 -0.28 0.00 0.12 0.00 0.00 56.93 58.09 1d4b s PHE 38 Cb -0.10 -3.15 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1d4b s PHE 38 CO 0.16 -0.54 1.05 0.50 -0.10 0.00 0.00 175.22 176.30 1d4b s ARG 39 N 2.87 3.64 0.09 0.44 3.52 -1.26 -2.92 118.95 125.32 1d4b s ARG 39 Ca 0.31 0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 56.28 1d4b s ARG 39 Cb -0.14 -3.92 -0.05 0.00 -1.56 0.00 0.00 34.95 29.28 1d4b s ARG 39 CO 0.12 -1.32 0.28 0.08 -0.81 0.00 0.00 175.30 173.65 1d4b s VAL 40 N 4.18 5.29 0.00 7.11 1.01 -0.46 -4.15 120.40 133.38 1d4b s VAL 40 Ca 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1d4b s VAL 40 Cb -0.08 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1d4b s VAL 40 CO 0.30 0.13 -0.00 0.00 0.00 0.00 0.00 175.10 175.52 1d4b s ASP 42 N -0.20 3.26 0.00 0.00 -1.08 0.68 -4.19 116.67 115.15 1d4b s ASP 42 Ca -0.02 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.35 1d4b s ASP 42 Cb -0.01 -0.44 0.00 0.00 -1.46 0.00 0.00 42.92 41.00 1d4b s ASP 42 CO -0.00 -2.65 0.12 1.57 0.52 0.00 0.00 175.17 174.73 1d4b n HIS 43 N -3.72 0.00 -0.00 -5.34 -0.00 -1.26 -4.44 115.22 100.45 1d4b n HIS 43 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1d4b n HIS 43 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1d4b n HIS 43 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1d4b n LYS 44 N -0.28 0.02 -0.09 1.57 3.00 -1.26 -4.94 118.16 116.19 1d4b n LYS 44 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1d4b n LYS 44 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 35.03 34.29 1d4b n LYS 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1d4b n ARG 45 N -2.43 0.00 -0.09 1.64 0.63 -1.26 -4.96 116.66 110.19 1d4b n ARG 45 Ca -0.00 -0.20 -0.06 0.00 -0.92 0.00 0.00 57.85 56.67 1d4b n ARG 45 Cb 0.02 -0.17 -0.00 0.00 0.45 0.00 0.00 32.46 32.76 1d4b n ARG 45 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1d4b h THR 46 N 3.48 0.64 -3.56 5.15 1.35 -1.92 -3.42 112.91 114.62 1d4b h THR 46 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.51 1d4b h THR 46 Cb 1.02 0.64 -0.33 0.00 -1.73 0.00 0.00 68.15 67.75 1d4b h THR 46 CO 0.00 0.00 -0.75 -0.63 -0.25 0.00 0.00 175.52 173.89 1d4b s ILE 47 N -6.20 0.26 -0.27 6.82 1.09 -1.26 -5.03 121.20 116.61 1d4b s ILE 47 Ca -0.14 -0.00 -0.04 0.00 -1.10 0.00 0.00 60.65 59.37 1d4b s ILE 47 Cb 0.13 -0.32 0.09 0.00 -1.06 0.00 0.00 42.46 41.31 1d4b s ILE 47 CO 0.70 0.15 0.12 -0.60 -0.10 0.00 0.00 174.94 175.21 1d4b s ARG 48 N 0.77 0.17 0.02 2.79 3.52 -1.26 -0.23 118.95 124.72 1d4b s ARG 48 Ca -0.08 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.05 1d4b s ARG 48 Cb -0.11 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 31.99 1d4b s ARG 48 CO -0.01 -0.96 -0.02 0.21 -0.81 0.00 0.00 175.30 173.71 1d4b s LYS 49 N 2.11 0.34 -0.19 5.12 2.47 -1.04 -5.03 119.74 123.51 1d4b s LYS 49 Ca 0.08 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 53.86 1d4b s LYS 49 Cb -0.16 0.12 0.05 0.00 -1.46 0.00 0.00 37.83 36.38 1d4b s LYS 49 CO -0.33 -0.06 -0.06 0.20 0.16 0.00 0.00 175.35 175.26 1d4b s GLY 50 N -1.53 1.10 0.34 5.54 0.00 -1.26 -1.35 107.32 110.15 1d4b s GLY 50 Ca -0.15 -1.04 0.09 0.00 0.00 0.00 0.00 44.72 43.62 1d4b s GLY 50 CO -0.01 0.90 -0.05 1.08 0.00 0.00 0.00 173.10 175.02 1d4b s LEU 51 N 1.53 2.85 -0.13 0.66 1.43 -1.15 -4.87 118.68 118.99 1d4b s LEU 51 Ca -0.01 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 51.72 1d4b s LEU 51 Cb -0.16 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 1d4b s LEU 51 CO -0.08 -0.21 0.92 0.42 0.23 0.00 0.00 176.35 177.63 1d4b s THR 52 N -2.56 4.84 -0.02 5.49 -4.23 -1.26 -1.71 115.64 116.18 1d4b s THR 52 Ca 0.33 1.84 0.00 0.00 -1.18 0.00 0.00 61.69 62.69 1d4b s THR 52 Cb 0.01 -4.22 0.02 0.00 1.34 0.00 0.00 72.50 69.64 1d4b s THR 52 CO 0.18 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.28 1d4b s ALA 53 N 2.04 0.19 -0.29 3.99 0.00 -0.94 -4.94 121.76 121.82 1d4b s ALA 53 Ca 0.43 0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 1d4b s ALA 53 Cb -0.17 -0.21 0.10 0.00 0.00 0.00 0.00 23.12 22.84 1d4b s ALA 53 CO 0.15 -0.05 0.14 0.00 0.00 0.00 0.00 175.76 176.01 1d4b s ALA 54 N 0.69 0.58 0.19 0.00 0.00 -1.26 -3.76 121.76 118.20 1d4b s ALA 54 Ca -0.06 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 1d4b s ALA 54 Cb -0.09 -1.42 0.05 0.00 0.00 0.00 0.00 23.12 21.66 1d4b s ALA 54 CO -0.02 -1.68 0.61 0.99 0.00 0.00 0.00 175.76 175.67 1d4b s THR 55 N 2.06 0.01 -0.01 0.00 2.01 -1.26 -5.00 115.64 113.44 1d4b s THR 55 Ca 0.09 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 1d4b s THR 55 Cb -0.16 -1.31 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 1d4b s THR 55 CO -0.35 -0.03 -0.02 -1.14 -0.69 0.00 0.00 174.62 172.40 1d4b n ARG 56 N -0.39 0.04 -0.10 4.92 0.63 -1.26 -4.39 116.66 116.11 1d4b n ARG 56 Ca -0.13 0.26 -0.20 0.00 -0.92 0.00 0.00 57.85 56.87 1d4b n ARG 56 Cb 0.63 -0.82 -0.10 0.00 0.45 0.00 0.00 32.46 32.62 1d4b n ARG 56 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1d4b n GLN 57 N -2.47 0.55 0.25 -0.14 7.27 -1.26 -4.11 117.38 117.47 1d4b n GLN 57 Ca -0.01 0.55 0.17 0.00 0.07 0.00 0.00 57.00 57.79 1d4b n GLN 57 Cb 0.02 -1.73 0.79 0.00 2.41 0.00 0.00 30.24 31.74 1d4b n GLN 57 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1d4b h GLU 58 N -1.00 0.00 -0.19 3.69 4.81 -2.00 -2.33 114.58 117.56 1d4b h GLU 58 Ca -0.31 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1d4b h GLU 58 Cb 1.20 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1d4b h GLU 58 CO -0.19 0.00 -0.27 1.25 -0.73 0.00 0.00 179.01 179.07 1d4b h LEU 59 N 0.00 -0.84 -0.99 1.64 6.46 -1.77 -1.06 115.31 118.74 1d4b h LEU 59 Ca 0.07 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1d4b h LEU 59 Cb 0.82 0.38 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 1d4b h LEU 59 CO -0.00 -0.31 0.65 0.25 -0.62 0.00 0.00 178.44 178.41 1d4b h LEU 60 N -0.30 1.15 -1.77 2.25 5.85 -1.66 -1.60 115.31 119.22 1d4b h LEU 60 Ca 0.12 -0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.94 1d4b h LEU 60 Cb 0.49 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1d4b h LEU 60 CO -0.37 0.84 0.42 0.00 -0.34 0.00 0.00 178.44 178.99 1d4b h ALA 61 N 1.36 2.24 -0.92 1.25 0.00 -1.30 -0.73 119.26 121.16 1d4b h ALA 61 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1d4b h ALA 61 Cb -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1d4b h ALA 61 CO -0.08 -0.40 0.58 -0.22 0.00 0.00 0.00 179.25 179.13 1d4b h LYS 62 N 0.24 1.23 -0.84 0.00 3.11 -0.58 -2.00 116.57 117.74 1d4b h LYS 62 Ca 0.29 -0.10 0.15 0.00 -2.81 0.00 0.00 60.65 58.18 1d4b h LYS 62 Cb 0.81 -0.27 -0.06 0.00 -1.00 0.00 0.00 32.23 31.71 1d4b h LYS 62 CO -0.06 0.84 0.55 0.00 -2.81 0.00 0.00 179.45 177.97 1d4b h ALA 63 N 1.32 1.97 -0.15 5.00 0.00 -1.19 0.58 119.26 126.80 1d4b h ALA 63 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1d4b h ALA 63 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1d4b h ALA 63 CO -0.07 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.26 1d4b n LEU 64 N -4.53 0.13 -0.18 0.00 7.99 -0.78 -4.06 117.00 115.57 1d4b n LEU 64 Ca 0.16 0.54 0.22 0.00 -0.01 0.00 0.00 56.01 56.93 1d4b n LEU 64 Cb 0.51 -0.48 0.61 0.00 -0.11 0.00 0.00 43.42 43.96 1d4b n LEU 64 CO 0.31 -0.48 1.23 -0.08 -1.51 0.00 0.00 177.39 176.86 1d4b h GLU 65 N 0.00 0.20 -0.08 3.23 4.22 -1.47 0.29 114.58 120.97 1d4b h GLU 65 Ca 0.00 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.47 1d4b h GLU 65 Cb 0.00 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1d4b h GLU 65 CO 0.00 0.13 -0.24 0.00 -2.18 0.00 0.00 179.01 176.72 1d4b h THR 66 N 0.20 0.44 0.00 0.32 1.03 -1.03 -3.36 112.91 110.51 1d4b h THR 66 Ca 0.41 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.48 1d4b h THR 66 Cb 1.31 0.44 -0.05 0.00 -1.07 0.00 0.00 68.15 68.77 1d4b h THR 66 CO -0.09 0.00 -2.08 0.18 -0.01 0.00 0.00 175.52 173.52 1d4b n LEU 67 N -5.36 1.79 -3.69 0.00 4.77 -0.98 -5.01 117.00 108.52 1d4b n LEU 67 Ca -0.04 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1d4b n LEU 67 Cb 0.28 -0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 40.51 1d4b n LEU 67 CO 0.20 0.34 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.72 1d4b s LEU 68 N -7.46 0.03 -0.10 2.23 1.43 0.97 -5.12 118.68 110.66 1d4b s LEU 68 Ca -0.33 0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 53.09 1d4b s LEU 68 Cb 0.11 0.75 -0.03 0.00 0.03 0.00 0.00 46.19 47.05 1d4b s LEU 68 CO 0.43 -0.20 0.80 -1.48 0.23 0.00 0.00 176.35 176.12 1d4b s LEU 69 N 1.85 4.26 0.04 1.79 0.05 -1.17 -3.72 118.68 121.77 1d4b s LEU 69 Ca -0.04 1.25 -0.00 0.00 0.05 0.00 0.00 54.13 55.39 1d4b s LEU 69 Cb -0.11 -3.22 -0.03 0.00 -2.05 0.00 0.00 46.19 40.78 1d4b s LEU 69 CO -0.09 -0.26 -0.03 0.21 -0.55 0.00 0.00 176.35 175.63 1d4b s ASN 70 N 0.99 0.44 0.08 1.48 3.84 -1.26 -4.96 114.94 115.55 1d4b s ASN 70 Ca 0.40 -0.78 -0.17 0.00 0.21 0.00 0.00 52.86 52.52 1d4b s ASN 70 Cb -0.18 0.15 -0.10 0.00 -0.55 0.00 0.00 41.25 40.57 1d4b s ASN 70 CO 0.17 -0.46 1.40 1.23 -2.79 0.00 0.00 177.10 176.65 1d4b h GLY 71 N 3.79 0.64 -6.32 1.21 0.00 -2.04 -3.44 103.07 96.92 1d4b h GLY 71 Ca -0.33 -0.65 -0.41 0.00 0.00 0.00 0.00 47.33 45.93 1d4b h GLY 71 CO 0.55 0.59 -0.77 0.14 0.00 0.00 0.00 176.54 177.05 1d4b s VAL 72 N -4.36 0.51 -0.06 4.60 1.01 -1.26 -5.14 120.40 115.69 1d4b s VAL 72 Ca -0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1d4b s VAL 72 Cb 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1d4b s VAL 72 CO 0.80 0.23 0.18 -0.22 0.00 0.00 0.00 175.10 176.09 1d4b s LEU 73 N 1.05 1.33 0.11 3.92 1.98 -1.26 -5.06 118.68 120.74 1d4b s LEU 73 Ca -0.09 0.33 -0.17 0.00 -2.89 0.00 0.00 54.13 51.31 1d4b s LEU 73 Cb -0.14 0.62 -0.07 0.00 0.66 0.00 0.00 46.19 47.26 1d4b s LEU 73 CO -0.01 -0.08 0.57 0.42 -1.89 0.00 0.00 176.35 175.37 1d4b s THR 74 N 0.02 4.77 -0.30 3.68 -4.23 -1.23 -5.01 115.64 113.33 1d4b s THR 74 Ca -0.01 1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 61.49 1d4b s THR 74 Cb -0.02 -3.83 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 1d4b s THR 74 CO 0.00 0.42 0.13 -0.76 -0.54 0.00 0.00 174.62 173.87 1d4b s LEU 75 N -1.48 4.01 0.14 4.79 1.43 -0.53 -3.83 118.68 123.20 1d4b s LEU 75 Ca 0.33 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1d4b s LEU 75 Cb -0.18 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1d4b s LEU 75 CO 0.19 -0.18 -0.11 0.68 0.23 0.00 0.00 176.35 177.16 1d4b s VAL 76 N 1.59 1.18 0.15 -1.59 -7.23 -1.24 0.03 120.40 113.29 1d4b s VAL 76 Ca 0.04 -1.94 0.09 0.00 -1.81 0.00 0.00 61.98 58.36 1d4b s VAL 76 Cb -0.17 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1d4b s VAL 76 CO 0.05 -0.66 -0.19 -1.48 -0.31 0.00 0.00 175.10 172.51 1d4b s LEU 77 N -2.94 2.40 -0.02 1.32 0.05 -1.13 -3.83 118.68 114.54 1d4b s LEU 77 Ca 0.14 -0.82 0.22 0.00 0.05 0.00 0.00 54.13 53.72 1d4b s LEU 77 Cb 0.00 -0.88 -0.31 0.00 -2.05 0.00 0.00 46.19 42.96 1d4b s LEU 77 CO 0.01 0.00 0.55 1.21 -0.55 0.00 0.00 176.35 177.58 1d4b n GLU 78 N 0.48 0.58 0.00 1.48 2.13 -1.26 -3.52 120.64 120.53 1d4b n GLU 78 Ca -0.15 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.51 1d4b n GLU 78 Cb 0.56 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.74 1d4b n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1d4b n GLU 79 N -2.19 0.00 0.12 5.31 2.13 -1.26 -3.69 120.64 121.06 1d4b n GLU 79 Ca -0.03 0.20 -0.02 0.00 0.66 0.00 0.00 57.16 57.97 1d4b n GLU 79 Cb 0.54 -1.08 0.06 0.00 0.27 0.00 0.00 31.44 31.22 1d4b n GLU 79 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1d4b h ASP 80 N 0.00 0.00 -1.75 4.31 3.58 -2.04 -3.48 116.42 117.04 1d4b h ASP 80 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d4b h ASP 80 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1d4b h ASP 80 CO 0.00 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.67 1d4b n GLY 81 N 0.87 0.74 2.87 -0.78 0.00 -1.24 -5.11 105.19 102.54 1d4b n GLY 81 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1d4b n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4b s THR 82 N -2.58 -0.01 0.20 2.61 2.01 -1.23 -5.03 115.64 111.61 1d4b s THR 82 Ca 0.00 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1d4b s THR 82 Cb 0.00 -0.05 -0.07 0.00 0.01 0.00 0.00 72.50 72.39 1d4b s THR 82 CO 0.00 0.02 0.56 0.00 -0.69 0.00 0.00 174.62 174.50 1d4b s ALA 83 N 0.22 3.56 0.04 7.40 0.00 -1.26 -2.86 121.76 128.86 1d4b s ALA 83 Ca -0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1d4b s ALA 83 Cb -0.03 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1d4b s ALA 83 CO -0.01 0.48 0.14 0.08 0.00 0.00 0.00 175.76 176.46 1d4b s VAL 84 N -1.69 0.13 0.00 0.00 1.01 0.10 -4.98 120.40 114.97 1d4b s VAL 84 Ca 0.44 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1d4b s VAL 84 Cb -0.13 -0.96 0.09 0.00 0.00 0.00 0.00 36.38 35.38 1d4b s VAL 84 CO 0.20 -0.57 0.94 -0.90 0.00 0.00 0.00 175.10 174.77 1d4b n ASP 85 N 0.63 0.14 -3.58 3.32 5.68 -1.26 -1.46 116.55 120.01 1d4b n ASP 85 Ca -0.18 -1.82 -0.14 0.00 -0.50 0.00 0.00 54.79 52.15 1d4b n ASP 85 Cb 0.59 -0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 40.36 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1d4b s SER 86 N -1.02 0.76 0.21 -1.12 1.04 -1.26 -4.99 113.70 107.32 1d4b s SER 86 Ca 0.07 -1.44 0.17 0.00 0.48 0.00 0.00 55.95 55.24 1d4b s SER 86 Cb 0.08 0.57 0.85 0.00 0.10 0.00 0.00 66.02 67.62 1d4b s SER 86 CO -0.04 -1.13 1.53 1.21 0.98 0.00 0.00 173.24 175.80 1d4b n GLU 87 N -0.49 0.11 0.00 4.02 0.00 -1.26 -2.20 120.64 120.83 1d4b n GLU 87 Ca 0.02 0.51 0.03 0.00 0.00 0.00 0.00 57.16 57.73 1d4b n GLU 87 Cb 0.63 -1.80 0.16 0.00 0.00 0.00 0.00 31.44 30.42 1d4b n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1d4b n ASP 88 N -2.04 0.00 -0.10 4.31 2.03 -1.26 -3.77 116.55 115.72 1d4b n ASP 88 Ca 0.00 0.47 -0.05 0.00 0.52 0.00 0.00 54.79 55.73 1d4b n ASP 88 Cb 0.10 -0.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.98 1d4b n ASP 88 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1d4b h PHE 89 N 0.00 -0.68 0.00 -0.67 3.57 -1.86 0.58 116.94 117.88 1d4b h PHE 89 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1d4b h PHE 89 Cb 0.12 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1d4b h PHE 89 CO 0.00 -0.16 0.00 0.74 -2.23 0.00 0.00 178.31 176.66 1d4b h PHE 90 N -0.08 0.00 0.00 0.41 0.04 -1.88 -1.83 116.94 113.60 1d4b h PHE 90 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1d4b h PHE 90 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1d4b h PHE 90 CO -0.80 0.00 -0.77 0.37 -0.60 0.00 0.00 178.31 176.51 1d4b h GLN 91 N 0.00 0.00 0.00 1.51 4.15 -0.29 -3.33 115.11 117.15 1d4b h GLN 91 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1d4b h GLN 91 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1d4b h GLN 91 CO 0.00 0.00 -0.72 1.25 -1.93 0.00 0.00 178.83 177.43 1d4b h LEU 92 N 0.00 0.00 -9.38 -2.39 6.46 0.71 -3.47 115.31 107.24 1d4b h LEU 92 Ca 0.00 -0.15 -0.60 0.00 -0.12 0.00 0.00 57.88 57.01 1d4b h LEU 92 Cb 0.78 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.58 1d4b h LEU 92 CO 0.00 0.08 -0.68 -0.76 -0.62 0.00 0.00 178.44 176.46 1d4b s LEU 93 N -4.61 2.69 1.26 2.25 1.02 -1.21 -5.11 118.68 114.97 1d4b s LEU 93 Ca 0.04 -1.21 -0.19 0.00 0.02 0.00 0.00 54.13 52.80 1d4b s LEU 93 Cb 0.12 -0.92 0.31 0.00 0.02 0.00 0.00 46.19 45.72 1d4b s LEU 93 CO 0.74 -0.24 1.02 -1.83 0.02 0.00 0.00 176.35 176.06 1d4b s GLU 94 N -3.64 -1.70 0.03 1.70 1.03 -1.26 -4.84 118.70 110.02 1d4b s GLU 94 Ca 0.32 0.26 -0.30 0.00 0.03 0.00 0.00 54.97 55.28 1d4b s GLU 94 Cb 0.03 -1.51 -0.08 0.00 -0.80 0.00 0.00 34.13 31.77 1d4b s GLU 94 CO 0.16 -4.10 1.85 0.34 -1.33 0.00 0.00 175.26 172.18 1d4b s ASP 95 N -3.26 6.51 0.16 0.83 2.15 -1.26 -4.91 116.67 116.88 1d4b s ASP 95 Ca 0.69 2.57 -0.24 0.00 0.43 0.00 0.00 52.55 56.00 1d4b s ASP 95 Cb -0.15 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1d4b s ASP 95 CO 0.59 -1.00 1.04 1.51 -0.17 0.00 0.00 175.17 177.13 1d4b s ASP 96 N 3.75 -0.06 -0.29 -0.34 1.47 -1.26 -5.13 116.67 114.80 1d4b s ASP 96 Ca 0.83 -0.54 -0.01 0.00 1.18 0.00 0.00 52.55 54.01 1d4b s ASP 96 Cb -0.41 0.46 0.09 0.00 -0.34 0.00 0.00 42.92 42.73 1d4b s ASP 96 CO 0.37 -0.90 0.08 -0.89 0.68 0.00 0.00 175.17 174.51 1d4b s THR 97 N -2.56 0.85 -0.04 2.11 2.01 -1.26 -5.06 115.64 111.69 1d4b s THR 97 Ca 0.18 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 1d4b s THR 97 Cb -0.02 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.96 1d4b s THR 97 CO 0.03 -0.57 0.08 0.00 -0.69 0.00 0.00 174.62 173.48 1d4b s LEU 99 N 0.82 0.06 -0.06 0.00 0.20 -1.26 -4.95 118.68 113.48 1d4b s LEU 99 Ca -0.07 -0.01 0.05 0.00 0.69 0.00 0.00 54.13 54.79 1d4b s LEU 99 Cb -0.09 0.08 -0.00 0.00 -0.43 0.00 0.00 46.19 45.75 1d4b s LEU 99 CO -0.03 -0.28 -0.20 -0.32 -0.29 0.00 0.00 176.35 175.23 1d4b s MET 100 N 2.24 2.19 -0.26 1.98 1.75 -1.25 -3.82 119.30 122.13 1d4b s MET 100 Ca 0.04 -0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 53.76 1d4b s MET 100 Cb -0.13 -1.82 0.04 0.00 2.84 0.00 0.00 34.83 35.75 1d4b s MET 100 CO -0.07 0.25 -0.06 0.08 -0.65 0.00 0.00 175.02 174.57 1d4b s VAL 101 N 0.10 2.77 0.28 10.11 1.01 -1.26 -3.73 120.40 129.68 1d4b s VAL 101 Ca -0.07 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 1d4b s VAL 101 Cb -0.14 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1d4b s VAL 101 CO 0.04 0.10 0.38 -1.48 0.00 0.00 0.00 175.10 174.14 1d4b s LEU 102 N 1.27 0.87 0.84 3.92 2.34 -1.25 -4.95 118.68 121.73 1d4b s LEU 102 Ca -0.02 -1.31 -0.11 0.00 0.06 0.00 0.00 54.13 52.75 1d4b s LEU 102 Cb -0.18 1.25 0.14 0.00 -0.56 0.00 0.00 46.19 46.84 1d4b s LEU 102 CO -0.04 -1.13 1.18 -1.58 -1.06 0.00 0.00 176.35 173.72 1d4b s GLN 103 N -3.63 1.35 0.71 1.48 0.74 -1.26 -3.49 119.66 115.55 1d4b s GLN 103 Ca 0.31 -0.41 -0.16 0.00 0.05 0.00 0.00 55.36 55.15 1d4b s GLN 103 Cb 0.01 -2.01 0.00 0.00 1.10 0.00 0.00 33.01 32.12 1d4b s GLN 103 CO 0.15 -1.88 0.99 -1.13 -0.55 0.00 0.00 175.29 172.87 1d4b n SER 104 N -3.37 0.59 -1.02 6.67 3.41 -1.26 -4.58 113.62 114.06 1d4b n SER 104 Ca 0.12 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 1d4b n SER 104 Cb 0.60 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1d4b n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d4b n GLY 105 N 1.10 -1.98 3.41 5.00 0.00 -1.26 -5.10 105.19 106.36 1d4b n GLY 105 Ca 0.13 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1d4b n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d4b s GLN 106 N -0.09 1.48 -0.08 1.61 0.74 -1.26 -5.13 119.66 116.92 1d4b s GLN 106 Ca 0.00 -1.42 0.03 0.00 0.05 0.00 0.00 55.36 54.02 1d4b s GLN 106 Cb 0.00 -1.89 -0.02 0.00 1.10 0.00 0.00 33.01 32.20 1d4b s GLN 106 CO 0.00 0.43 -0.17 -1.12 -0.55 0.00 0.00 175.29 173.88 1d4b s SER 107 N -2.35 3.77 0.35 6.67 0.01 -1.26 -5.13 113.70 115.76 1d4b s SER 107 Ca 0.17 -0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.18 1d4b s SER 107 Cb -0.09 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1d4b s SER 107 CO 0.08 0.25 0.22 0.26 0.41 0.00 0.00 173.24 174.46 1d4b s TRP 108 N -0.17 2.77 0.93 2.43 0.51 -1.26 -5.05 118.94 119.10 1d4b s TRP 108 Ca -0.01 -0.37 -0.15 0.00 -2.12 0.00 0.00 56.10 53.45 1d4b s TRP 108 Cb -0.13 -1.75 0.17 0.00 -0.81 0.00 0.00 33.47 30.94 1d4b s TRP 108 CO 0.03 0.24 1.26 -1.12 -0.51 0.00 0.00 176.95 176.86 1d4b s SER 109 N -3.92 3.39 -0.18 2.95 0.01 -1.26 -4.95 113.70 109.74 1d4b s SER 109 Ca 0.40 0.46 -0.29 0.00 1.31 0.00 0.00 55.95 57.83 1d4b s SER 109 Cb -0.03 -0.67 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1d4b s SER 109 CO 0.24 -2.58 1.64 -2.16 0.41 0.00 0.00 173.24 170.80 1d4b s PRO 110 N -5.75 3.87 0.88 12.44 0.04 -1.26 -5.00 135.00 140.22 1d4b s PRO 110 Ca 0.70 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 1d4b s PRO 110 Cb -0.07 -4.03 0.14 0.00 0.04 0.00 0.00 34.50 30.58 1d4b s PRO 110 CO 0.52 -1.21 1.24 0.99 0.04 0.00 0.00 177.00 178.58 1d4b s THR 111 N 5.02 2.00 1.07 1.26 2.01 -1.26 -5.02 115.64 120.71 1d4b s THR 111 Ca 0.73 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.56 1d4b s THR 111 Cb -0.27 -2.99 0.14 0.00 0.01 0.00 0.00 72.50 69.39 1d4b s THR 111 CO 0.29 0.00 0.15 -1.14 -0.69 0.00 0.00 174.62 173.23 1d4b n ARG 112 N -3.54 -2.07 -0.48 4.92 0.63 -1.26 -4.91 116.66 109.95 1d4b n ARG 112 Ca 0.11 -0.61 -0.25 0.00 -0.92 0.00 0.00 57.85 56.19 1d4b n ARG 112 Cb 0.60 -1.55 0.20 0.00 0.45 0.00 0.00 32.46 32.16 1d4b n ARG 112 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1d4b n SER 113 N -1.42 -3.05 -4.57 6.15 7.64 -1.26 -4.66 113.62 112.46 1d4b n SER 113 Ca 0.04 -0.43 -0.21 0.00 1.01 0.00 0.00 58.87 59.28 1d4b n SER 113 Cb 0.48 -0.91 -0.07 0.00 -1.01 0.00 0.00 64.21 62.71 1d4b n SER 113 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1d4b s GLY 114 N -2.24 -0.30 -0.00 0.23 0.00 -1.26 -4.46 107.32 99.29 1d4b s GLY 114 Ca 0.51 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1d4b s GLY 114 CO 0.49 3.83 -0.00 -0.62 0.00 0.00 0.00 173.10 176.80 1d4b n VAL 115 N 8.29 0.00 -3.23 1.40 0.31 -1.26 -4.93 118.33 118.92 1d4b n VAL 115 Ca 0.43 -0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 64.31 1d4b n VAL 115 Cb 0.46 -0.85 -0.05 0.00 -0.91 0.00 0.00 33.84 32.48 1d4b n VAL 115 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1d4b s LEU 116 N -4.30 5.65 -0.85 7.52 1.02 -1.26 -4.94 118.68 121.52 1d4b s LEU 116 Ca -0.00 -1.48 -0.02 0.00 0.02 0.00 0.00 54.13 52.64 1d4b s LEU 116 Cb 0.00 -2.27 0.27 0.00 0.02 0.00 0.00 46.19 44.21 1d4b s LEU 116 CO 0.00 -0.93 2.16 1.41 0.02 0.00 0.00 176.35 179.00 1d4b n HIS 117 N 5.77 2.64 -3.49 0.29 8.25 -1.26 -4.96 115.22 122.46 1d4b n HIS 117 Ca -0.11 -2.34 -0.38 0.00 -0.26 0.00 0.00 57.72 54.64 1d4b n HIS 117 Cb 0.42 -1.28 -0.08 0.00 1.12 0.00 0.00 29.99 30.17 1d4b n HIS 117 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1d4b s HIS 118 N -3.46 3.34 0.06 4.41 3.76 -1.26 -5.04 115.29 117.09 1d4b s HIS 118 Ca 0.51 0.45 -0.31 0.00 -0.15 0.00 0.00 55.06 55.56 1d4b s HIS 118 Cb 0.36 -2.43 -0.07 0.00 1.11 0.00 0.00 32.58 31.55 1d4b s HIS 118 CO -0.30 -0.00 1.41 -3.38 -0.85 0.00 0.00 174.74 171.63 1d4b s HIS 119 N 1.28 3.01 -0.05 1.40 -3.43 -1.26 -4.99 115.29 111.25 1d4b s HIS 119 Ca 0.14 0.85 -0.30 0.00 -0.80 0.00 0.00 55.06 54.95 1d4b s HIS 119 Cb -0.14 -3.69 0.08 0.00 -1.43 0.00 0.00 32.58 27.39 1d4b s HIS 119 CO 0.07 -2.52 0.73 -3.38 -2.00 0.00 0.00 174.74 167.64 1d4b s HIS 120 N 1.77 -0.60 0.10 0.38 -0.00 -1.26 -5.18 115.29 110.49 1d4b s HIS 120 Ca 0.65 0.99 -0.26 0.00 -0.00 0.00 0.00 55.06 56.44 1d4b s HIS 120 Cb -0.35 0.43 0.08 0.00 -0.00 0.00 0.00 32.58 32.74 1d4b s HIS 120 CO 0.29 -0.58 0.95 -1.58 -0.00 0.00 0.00 174.74 173.81 1d4b s HIS 121 N -1.36 -0.20 -2.52 0.38 2.46 -1.26 -5.24 115.29 107.55 1d4b s HIS 121 Ca -0.09 -0.04 0.20 0.00 0.47 0.00 0.00 55.06 55.60 1d4b s HIS 121 Cb -0.00 0.60 0.16 0.00 -0.13 0.00 0.00 32.58 33.21 1d4b s HIS 121 CO 0.07 -0.72 1.14 1.58 -2.47 0.00 0.00 174.74 174.34