#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4b s GLU 2 N 0.00 1.44 -0.04 2.12 -6.30 -1.26 -5.06 118.70 109.60 1d4b s GLU 2 Ca 0.00 -0.86 -0.08 0.00 -2.50 0.00 0.00 54.97 51.53 1d4b s GLU 2 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 34.13 32.60 1d4b s GLU 2 CO 0.00 0.39 -0.15 0.98 0.02 0.00 0.00 175.26 176.50 1d4b n TYR 3 N 2.08 0.00 0.15 5.30 9.36 -1.26 -5.07 117.16 127.72 1d4b n TYR 3 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 1d4b n TYR 3 Cb 0.53 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.03 1d4b n TYR 3 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1d4b n LEU 4 N -3.69 -2.71 0.00 2.98 7.94 -1.26 -5.17 117.00 115.09 1d4b n LEU 4 Ca -0.06 0.62 -0.09 0.00 -1.11 0.00 0.00 56.01 55.37 1d4b n LEU 4 Cb 0.22 2.68 0.00 0.00 0.53 0.00 0.00 43.42 46.86 1d4b n LEU 4 CO 0.09 0.07 0.30 -1.20 -1.11 0.00 0.00 177.39 175.54 1d4b n SER 5 N -3.12 -1.51 -3.12 1.96 7.64 -1.26 -5.13 113.62 109.08 1d4b n SER 5 Ca 0.00 -2.37 -0.13 0.00 1.01 0.00 0.00 58.87 57.38 1d4b n SER 5 Cb 0.00 2.61 -0.04 0.00 -1.01 0.00 0.00 64.21 65.77 1d4b n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d4b s ALA 6 N -2.14 -0.72 0.73 -0.43 0.00 -1.26 -5.14 121.76 112.80 1d4b s ALA 6 Ca 0.17 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 1d4b s ALA 6 Cb -0.03 -2.24 0.04 0.00 0.00 0.00 0.00 23.12 20.89 1d4b s ALA 6 CO 0.12 -2.14 1.12 -0.51 0.00 0.00 0.00 175.76 174.36 1d4b s LEU 7 N 0.82 3.22 -0.45 0.00 1.02 -1.26 -4.98 118.68 117.05 1d4b s LEU 7 Ca 0.27 2.01 -0.16 0.00 0.02 0.00 0.00 54.13 56.27 1d4b s LEU 7 Cb -0.02 -4.55 0.06 0.00 0.02 0.00 0.00 46.19 41.69 1d4b s LEU 7 CO -0.09 -1.98 0.38 0.21 0.02 0.00 0.00 176.35 174.89 1d4b s ASN 8 N -2.77 6.14 -0.03 2.29 2.47 -1.26 -5.04 114.94 116.74 1d4b s ASN 8 Ca 0.66 -1.17 -0.30 0.00 0.42 0.00 0.00 52.86 52.47 1d4b s ASN 8 Cb -0.21 -2.18 -0.05 0.00 -1.45 0.00 0.00 41.25 37.36 1d4b s ASN 8 CO 0.48 -0.60 1.36 -2.16 -3.72 0.00 0.00 177.10 172.46 1d4b s PRO 9 N 1.71 4.29 0.00 0.43 0.04 -1.26 -4.73 135.00 135.48 1d4b s PRO 9 Ca 0.05 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1d4b s PRO 9 Cb -0.22 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1d4b s PRO 9 CO 0.08 -0.58 0.00 -1.13 0.04 0.00 0.00 177.00 175.41 1d4b n SER 10 N 5.54 0.00 -4.81 6.66 3.41 -1.26 -5.12 113.62 118.05 1d4b n SER 10 Ca 0.13 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.40 1d4b n SER 10 Cb 0.44 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1d4b n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1d4b s ASP 11 N -1.78 6.60 -0.26 4.04 2.15 -1.26 -5.06 116.67 121.10 1d4b s ASP 11 Ca 0.00 1.82 -0.12 0.00 0.43 0.00 0.00 52.55 54.68 1d4b s ASP 11 Cb 0.00 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.17 1d4b s ASP 11 CO 0.00 -0.60 0.61 -0.22 -0.17 0.00 0.00 175.17 174.79 1d4b s LEU 12 N -3.38 -0.88 -0.39 -1.34 0.20 -1.26 -5.11 118.68 106.53 1d4b s LEU 12 Ca 0.65 1.40 0.01 0.00 0.69 0.00 0.00 54.13 56.87 1d4b s LEU 12 Cb -0.13 2.10 0.19 0.00 -0.43 0.00 0.00 46.19 47.91 1d4b s LEU 12 CO 0.17 -0.23 0.81 -1.48 -0.29 0.00 0.00 176.35 175.34 1d4b s LEU 13 N 2.19 -1.04 -0.01 -0.68 2.34 -1.26 -5.06 118.68 115.16 1d4b s LEU 13 Ca -0.07 -0.66 -0.13 0.00 0.06 0.00 0.00 54.13 53.32 1d4b s LEU 13 Cb -0.09 1.34 -0.07 0.00 -0.56 0.00 0.00 46.19 46.81 1d4b s LEU 13 CO -0.18 -0.10 0.70 -0.09 -1.06 0.00 0.00 176.35 175.62 1d4b h ARG 14 N 6.05 -0.46 -6.37 1.48 2.43 -2.06 -3.46 114.38 112.00 1d4b h ARG 14 Ca 0.02 0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.61 1d4b h ARG 14 Cb 1.19 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.72 1d4b h ARG 14 CO 0.02 -0.30 -0.69 -1.12 -1.51 0.00 0.00 179.97 176.36 1d4b s SER 15 N -4.06 4.47 0.00 -3.80 0.01 -1.26 -5.03 113.70 104.03 1d4b s SER 15 Ca -0.07 -0.53 0.14 0.00 1.31 0.00 0.00 55.95 56.80 1d4b s SER 15 Cb 0.01 -0.84 0.23 0.00 0.21 0.00 0.00 66.02 65.63 1d4b s SER 15 CO 0.21 0.08 1.07 0.52 0.41 0.00 0.00 173.24 175.53 1d4b n VAL 16 N -0.15 0.00 -3.61 3.43 0.31 -1.26 -5.11 118.33 111.94 1d4b n VAL 16 Ca -0.10 -0.54 -0.07 0.00 -0.01 0.00 0.00 64.34 63.62 1d4b n VAL 16 Cb 0.56 0.75 0.02 0.00 -0.91 0.00 0.00 33.84 34.25 1d4b n VAL 16 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1d4b n SER 17 N 0.27 -1.59 -3.56 4.52 2.88 -1.26 -5.18 113.62 109.70 1d4b n SER 17 Ca 0.01 -2.17 -0.16 0.00 -1.33 0.00 0.00 58.87 55.21 1d4b n SER 17 Cb 0.93 2.66 -0.06 0.00 -0.75 0.00 0.00 64.21 66.99 1d4b n SER 17 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1d4b s ASN 18 N -2.50 -0.69 0.18 -3.46 0.01 -1.26 -5.14 114.94 102.09 1d4b s ASN 18 Ca 0.12 0.98 -0.30 0.00 -0.71 0.00 0.00 52.86 52.96 1d4b s ASN 18 Cb -0.03 0.88 -0.09 0.00 0.41 0.00 0.00 41.25 42.42 1d4b s ASN 18 CO 0.09 -0.48 1.34 -0.51 -1.51 0.00 0.00 177.10 176.04 1d4b s ILE 19 N -0.61 3.18 0.02 0.60 -1.16 -1.26 -5.02 121.20 116.94 1d4b s ILE 19 Ca -0.07 0.94 0.02 0.00 -0.51 0.00 0.00 60.65 61.02 1d4b s ILE 19 Cb -0.02 -3.60 -0.01 0.00 0.61 0.00 0.00 42.46 39.44 1d4b s ILE 19 CO 0.07 0.12 -0.06 -0.44 -2.81 0.00 0.00 174.94 171.82 1d4b s SER 20 N 0.53 0.64 -0.22 4.50 0.01 -1.26 -5.13 113.70 112.76 1d4b s SER 20 Ca 0.59 -0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 1d4b s SER 20 Cb -0.37 -0.01 0.10 0.00 0.21 0.00 0.00 66.02 65.96 1d4b s SER 20 CO 0.37 -0.08 0.25 -0.44 0.41 0.00 0.00 173.24 173.75 1d4b s SER 21 N -0.81 1.35 -0.40 2.44 0.01 -1.26 -5.11 113.70 109.92 1d4b s SER 21 Ca -0.04 -0.28 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 1d4b s SER 21 Cb -0.06 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.65 1d4b s SER 21 CO 0.00 -0.34 0.57 -0.70 0.41 0.00 0.00 173.24 173.19 1d4b s GLU 22 N 2.35 3.42 -0.08 12.44 2.12 -1.26 -5.05 118.70 132.63 1d4b s GLU 22 Ca 0.08 -0.30 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 1d4b s GLU 22 Cb -0.15 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 1d4b s GLU 22 CO -0.16 -0.83 0.29 -0.06 -0.54 0.00 0.00 175.26 173.95 1d4b s PHE 23 N 2.57 3.61 -0.30 5.30 0.08 -1.26 -5.04 117.98 122.95 1d4b s PHE 23 Ca 0.20 0.73 -0.10 0.00 0.12 0.00 0.00 56.93 57.88 1d4b s PHE 23 Cb -0.15 -2.19 0.19 0.00 -0.57 0.00 0.00 43.02 40.29 1d4b s PHE 23 CO 0.16 0.56 1.02 0.20 -0.10 0.00 0.00 175.22 177.05 1d4b s GLY 24 N -0.62 -0.90 0.22 4.36 0.00 -1.26 -5.18 107.32 103.94 1d4b s GLY 24 Ca 0.19 2.09 0.01 0.00 0.00 0.00 0.00 44.72 47.01 1d4b s GLY 24 CO 0.08 4.05 0.05 -2.13 0.00 0.00 0.00 173.10 175.15 1d4b n ARG 25 N 5.16 1.38 -3.08 2.90 0.63 -1.26 -5.07 116.66 117.32 1d4b n ARG 25 Ca 0.08 -1.54 -0.45 0.00 -0.92 0.00 0.00 57.85 55.02 1d4b n ARG 25 Cb 0.57 0.34 -0.03 0.00 0.45 0.00 0.00 32.46 33.80 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 -2.83 3.49 -0.05 -0.14 3.52 -1.26 -4.99 118.95 116.70 1d4b s ARG 26 Ca 0.04 -1.88 -0.03 0.00 -0.13 0.00 0.00 55.73 53.72 1d4b s ARG 26 Cb -0.00 -4.63 0.02 0.00 -1.56 0.00 0.00 34.95 28.78 1d4b s ARG 26 CO 0.02 -1.58 0.12 0.08 -0.81 0.00 0.00 175.30 173.13 1d4b s VAL 27 N 1.92 -0.02 0.25 7.11 1.01 -1.26 -5.16 120.40 124.25 1d4b s VAL 27 Ca 0.24 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 1d4b s VAL 27 Cb -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.09 1d4b s VAL 27 CO -0.06 0.03 0.52 0.86 0.00 0.00 0.00 175.10 176.44 1d4b s TRP 28 N 0.47 0.27 0.43 5.22 -0.00 -1.26 -5.14 118.94 118.93 1d4b s TRP 28 Ca -0.03 -0.65 -0.26 0.00 -0.00 0.00 0.00 56.10 55.16 1d4b s TRP 28 Cb -0.05 0.27 -0.09 0.00 -0.00 0.00 0.00 33.47 33.61 1d4b s TRP 28 CO -0.02 -1.03 1.43 0.95 -0.00 0.00 0.00 176.95 178.27 1d4b s THR 29 N -4.00 2.13 0.08 5.86 -4.23 -1.26 -4.94 115.64 109.28 1d4b s THR 29 Ca 0.21 0.12 -0.30 0.00 -1.18 0.00 0.00 61.69 60.53 1d4b s THR 29 Cb -0.02 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.70 1d4b s THR 29 CO 0.09 0.02 1.10 -0.94 -0.54 0.00 0.00 174.62 174.34 1d4b s SER 30 N -0.45 7.24 0.19 3.99 1.04 -1.26 -5.03 113.70 119.42 1d4b s SER 30 Ca 0.59 1.93 -0.05 0.00 0.48 0.00 0.00 55.95 58.89 1d4b s SER 30 Cb -0.44 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.07 1d4b s SER 30 CO 0.57 -0.31 0.22 0.00 0.98 0.00 0.00 173.24 174.69 1d4b s ALA 31 N 0.60 0.56 0.38 5.32 0.00 -1.26 -5.14 121.76 122.22 1d4b s ALA 31 Ca 0.53 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.93 1d4b s ALA 31 Cb -0.27 1.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 1d4b s ALA 31 CO 0.30 -0.63 1.11 -1.25 0.00 0.00 0.00 175.76 175.30 1d4b s PRO 32 N -4.06 4.21 0.26 0.00 0.04 -1.26 -5.00 135.00 129.20 1d4b s PRO 32 Ca 0.28 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1d4b s PRO 32 Cb 0.05 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 1d4b s PRO 32 CO 0.06 -0.15 1.13 -1.25 0.04 0.00 0.00 177.00 176.83 1d4b s PRO 33 N -2.19 4.60 0.95 0.56 0.04 -1.26 -5.03 135.00 132.67 1d4b s PRO 33 Ca 0.55 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 63.29 1d4b s PRO 33 Cb -0.28 -3.19 0.16 0.00 0.04 0.00 0.00 34.50 31.23 1d4b s PRO 33 CO 0.35 0.14 1.13 -1.25 0.04 0.00 0.00 177.00 177.41 1d4b s PRO 34 N -1.25 0.78 0.63 0.56 0.04 -1.26 -4.98 135.00 129.52 1d4b s PRO 34 Ca 0.46 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.59 1d4b s PRO 34 Cb -0.32 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1d4b s PRO 34 CO 0.41 -2.44 1.28 -1.14 0.04 0.00 0.00 177.00 175.15 1d4b s GLN 35 N -5.25 2.67 0.00 4.56 0.74 -1.26 -4.92 119.66 116.19 1d4b s GLN 35 Ca 0.65 2.03 0.01 0.00 0.05 0.00 0.00 55.36 58.09 1d4b s GLN 35 Cb -0.15 -1.88 -0.00 0.00 1.10 0.00 0.00 33.01 32.08 1d4b s GLN 35 CO 0.54 -1.50 -0.02 0.50 -0.55 0.00 0.00 175.29 174.27 1d4b s ARG 36 N -3.34 0.16 -0.59 1.67 6.06 -1.25 -4.98 118.95 116.68 1d4b s ARG 36 Ca 0.81 -0.10 -0.27 0.00 -2.50 0.00 0.00 55.73 53.67 1d4b s ARG 36 Cb -0.36 -0.13 -0.02 0.00 0.06 0.00 0.00 34.95 34.50 1d4b s ARG 36 CO 0.39 0.03 1.79 -1.25 -2.50 0.00 0.00 175.30 173.76 1d4b s PRO 37 N -0.14 2.77 -0.24 5.12 0.04 -1.26 -2.42 135.00 138.87 1d4b s PRO 37 Ca -0.00 0.61 -0.14 0.00 0.04 0.00 0.00 61.00 61.51 1d4b s PRO 37 Cb -0.01 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 1d4b s PRO 37 CO -0.00 -2.57 0.32 -0.06 0.04 0.00 0.00 177.00 174.73 1d4b s PHE 38 N 8.48 3.30 -0.30 0.56 0.40 -0.64 -4.94 117.98 124.83 1d4b s PHE 38 Ca 0.65 0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 57.14 1d4b s PHE 38 Cb -0.13 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 40.93 1d4b s PHE 38 CO 0.22 -0.09 0.85 0.50 0.70 0.00 0.00 175.22 177.40 1d4b s ARG 39 N 1.59 4.01 0.05 0.44 3.52 -1.26 -3.19 118.95 124.10 1d4b s ARG 39 Ca 0.14 0.73 0.06 0.00 -0.13 0.00 0.00 55.73 56.53 1d4b s ARG 39 Cb -0.15 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1d4b s ARG 39 CO 0.08 -0.71 -0.13 0.08 -0.81 0.00 0.00 175.30 173.81 1d4b s VAL 40 N 3.08 3.13 0.14 7.11 1.01 -1.11 -4.21 120.40 129.56 1d4b s VAL 40 Ca 0.35 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1d4b s VAL 40 Cb -0.14 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1d4b s VAL 40 CO 0.12 0.30 -0.02 0.00 0.00 0.00 0.00 175.10 175.51 1d4b s ASP 42 N -3.12 4.67 0.00 0.00 -1.08 -0.80 -4.33 116.67 112.01 1d4b s ASP 42 Ca 0.20 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 1d4b s ASP 42 Cb 0.06 -0.00 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1d4b s ASP 42 CO 0.01 -1.62 0.14 1.57 0.52 0.00 0.00 175.17 175.79 1d4b n HIS 43 N -2.59 0.00 0.00 -5.34 -0.00 -1.26 -4.46 115.22 101.57 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 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 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 -0.32 0.00 -0.37 1.57 3.00 -1.26 -4.95 118.16 115.83 1d4b n LYS 44 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1d4b n LYS 44 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 -2.30 0.00 0.06 1.64 0.63 -1.26 -5.00 116.66 110.43 1d4b n ARG 45 Ca 0.00 -0.24 -0.05 0.00 -0.92 0.00 0.00 57.85 56.64 1d4b n ARG 45 Cb 0.00 -0.14 -0.03 0.00 0.45 0.00 0.00 32.46 32.74 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 4.88 0.00 -3.61 5.15 1.35 -1.92 -3.43 112.91 115.32 1d4b h THR 46 Ca 0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 66.41 65.43 1d4b h THR 46 Cb 1.08 0.00 -0.32 0.00 -1.73 0.00 0.00 68.15 67.18 1d4b h THR 46 CO 0.00 0.00 -0.78 -0.63 -0.25 0.00 0.00 175.52 173.86 1d4b s ILE 47 N -3.86 0.70 -0.10 6.82 1.09 -1.26 -5.05 121.20 119.55 1d4b s ILE 47 Ca -0.05 -0.27 -0.03 0.00 -1.10 0.00 0.00 60.65 59.20 1d4b s ILE 47 Cb 0.02 -0.67 0.04 0.00 -1.06 0.00 0.00 42.46 40.79 1d4b s ILE 47 CO 0.19 0.24 0.08 -0.60 -0.10 0.00 0.00 174.94 174.75 1d4b s ARG 48 N 0.55 -0.01 0.03 2.79 3.52 -1.26 -1.91 118.95 122.64 1d4b s ARG 48 Ca -0.08 0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 55.70 1d4b s ARG 48 Cb -0.12 -1.07 -0.02 0.00 -1.56 0.00 0.00 34.95 32.18 1d4b s ARG 48 CO 0.01 -0.48 -0.02 0.21 -0.81 0.00 0.00 175.30 174.21 1d4b s LYS 49 N 2.16 0.39 -0.38 5.12 2.47 -1.14 -5.04 119.74 123.33 1d4b s LYS 49 Ca 0.04 -0.74 -0.03 0.00 -1.56 0.00 0.00 55.97 53.68 1d4b s LYS 49 Cb -0.14 0.14 0.09 0.00 -1.46 0.00 0.00 37.83 36.46 1d4b s LYS 49 CO -0.06 -0.07 0.15 0.20 0.16 0.00 0.00 175.35 175.74 1d4b s GLY 50 N -1.79 1.92 0.29 5.54 0.00 -1.26 -2.76 107.32 109.26 1d4b s GLY 50 Ca -0.11 -2.27 0.09 0.00 0.00 0.00 0.00 44.72 42.44 1d4b s GLY 50 CO -0.03 0.93 0.02 1.08 0.00 0.00 0.00 173.10 175.10 1d4b s LEU 51 N 1.21 3.15 -0.21 0.66 1.43 -1.19 -4.92 118.68 118.80 1d4b s LEU 51 Ca 0.04 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1d4b s LEU 51 Cb -0.22 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1d4b s LEU 51 CO -0.02 -0.09 0.34 0.42 0.23 0.00 0.00 176.35 177.22 1d4b s THR 52 N -2.38 5.24 0.01 5.49 -4.23 -1.26 -1.62 115.64 116.88 1d4b s THR 52 Ca 0.33 0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1d4b s THR 52 Cb -0.05 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 1d4b s THR 52 CO 0.20 0.28 -0.01 0.00 -0.54 0.00 0.00 174.62 174.55 1d4b s ALA 53 N 1.24 0.04 -0.29 3.99 0.00 -1.01 -4.89 121.76 120.83 1d4b s ALA 53 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1d4b s ALA 53 Cb -0.14 0.06 0.10 0.00 0.00 0.00 0.00 23.12 23.14 1d4b s ALA 53 CO 0.07 -0.07 0.14 0.00 0.00 0.00 0.00 175.76 175.90 1d4b s ALA 54 N -0.63 0.57 -0.00 0.00 0.00 -1.26 -3.77 121.76 116.67 1d4b s ALA 54 Ca -0.07 -1.06 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 1d4b s ALA 54 Cb -0.04 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.71 1d4b s ALA 54 CO -0.00 -1.66 0.46 0.99 0.00 0.00 0.00 175.76 175.55 1d4b s THR 55 N 2.10 0.04 -0.05 0.00 2.01 -1.26 -5.01 115.64 113.47 1d4b s THR 55 Ca 0.09 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1d4b s THR 55 Cb -0.16 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1d4b s THR 55 CO -0.36 -0.17 -0.07 -1.14 -0.69 0.00 0.00 174.62 172.18 1d4b n ARG 56 N 0.91 0.17 -0.10 4.92 0.63 -1.26 -4.35 116.66 117.58 1d4b n ARG 56 Ca -0.20 0.32 -0.22 0.00 -0.92 0.00 0.00 57.85 56.84 1d4b n ARG 56 Cb 0.58 -1.08 -0.12 0.00 0.45 0.00 0.00 32.46 32.29 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 -3.15 0.57 0.08 -0.14 7.27 -1.26 -4.10 117.38 116.65 1d4b n GLN 57 Ca -0.03 0.56 0.07 0.00 0.07 0.00 0.00 57.00 57.67 1d4b n GLN 57 Cb 0.11 -1.74 0.33 0.00 2.41 0.00 0.00 30.24 31.35 1d4b n GLN 57 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1d4b n GLU 58 N -4.41 0.08 -0.28 3.69 2.13 -1.26 -2.49 120.64 118.10 1d4b n GLU 58 Ca -0.33 0.53 0.09 0.00 0.66 0.00 0.00 57.16 58.11 1d4b n GLU 58 Cb 0.70 -1.73 0.33 0.00 0.27 0.00 0.00 31.44 31.00 1d4b n GLU 58 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1d4b h LEU 59 N 0.00 0.74 -0.49 4.31 5.85 -1.76 -1.47 115.31 122.50 1d4b h LEU 59 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1d4b h LEU 59 Cb 0.06 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1d4b h LEU 59 CO 0.00 0.41 0.30 0.25 -0.34 0.00 0.00 178.44 179.06 1d4b h LEU 60 N 0.81 0.48 -2.10 2.25 7.12 -1.75 -1.07 115.31 121.05 1d4b h LEU 60 Ca 0.43 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.53 1d4b h LEU 60 Cb 0.53 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1d4b h LEU 60 CO -0.19 0.34 0.29 0.00 -0.13 0.00 0.00 178.44 178.76 1d4b h ALA 61 N 1.21 2.05 -0.37 1.25 0.00 -1.47 -1.59 119.26 120.33 1d4b h ALA 61 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1d4b h ALA 61 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1d4b h ALA 61 CO -0.08 -0.45 0.24 -0.22 0.00 0.00 0.00 179.25 178.74 1d4b h LYS 62 N 0.00 0.47 -0.43 0.00 3.64 -1.11 -1.74 116.57 117.40 1d4b h LYS 62 Ca 0.15 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1d4b h LYS 62 Cb 0.72 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1d4b h LYS 62 CO -0.00 0.31 0.29 0.00 -2.27 0.00 0.00 179.45 177.78 1d4b h ALA 63 N 1.14 1.96 -0.79 5.00 0.00 -1.35 -1.05 119.26 124.16 1d4b h ALA 63 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1d4b h ALA 63 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1d4b h ALA 63 CO -0.04 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1d4b n LEU 64 N -4.48 0.69 -0.19 0.00 7.99 -0.79 -4.11 117.00 116.11 1d4b n LEU 64 Ca 0.05 0.44 0.25 0.00 -0.01 0.00 0.00 56.01 56.74 1d4b n LEU 64 Cb 0.24 -0.37 0.65 0.00 -0.11 0.00 0.00 43.42 43.83 1d4b n LEU 64 CO 0.35 -0.37 1.24 -0.08 -1.51 0.00 0.00 177.39 177.02 1d4b h GLU 65 N 0.00 0.14 -0.05 3.23 4.22 -1.40 0.12 114.58 120.83 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 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1d4b h GLU 65 CO 0.00 0.09 -0.32 0.00 -2.18 0.00 0.00 179.01 176.60 1d4b h THR 66 N 0.14 0.30 0.00 0.32 1.03 -1.34 -3.37 112.91 109.99 1d4b h THR 66 Ca 0.43 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.52 1d4b h THR 66 Cb 1.48 0.30 -0.05 0.00 -1.07 0.00 0.00 68.15 68.81 1d4b h THR 66 CO -0.07 0.00 -1.99 0.18 -0.01 0.00 0.00 175.52 173.63 1d4b n LEU 67 N -5.41 1.77 -3.73 0.00 4.77 -0.99 -5.02 117.00 108.39 1d4b n LEU 67 Ca -0.04 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1d4b n LEU 67 Cb 0.33 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 1d4b n LEU 67 CO 0.18 0.29 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.68 1d4b s LEU 68 N -7.46 0.40 -0.32 2.23 1.43 0.37 -5.12 118.68 110.20 1d4b s LEU 68 Ca -0.32 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.20 1d4b s LEU 68 Cb 0.11 0.83 -0.02 0.00 0.03 0.00 0.00 46.19 47.14 1d4b s LEU 68 CO 0.42 -0.16 0.37 -1.48 0.23 0.00 0.00 176.35 175.73 1d4b s LEU 69 N 1.17 4.29 0.02 1.79 0.05 -1.21 -3.77 118.68 121.03 1d4b s LEU 69 Ca -0.08 -0.05 0.01 0.00 0.05 0.00 0.00 54.13 54.06 1d4b s LEU 69 Cb -0.09 -2.38 -0.02 0.00 -2.05 0.00 0.00 46.19 41.65 1d4b s LEU 69 CO -0.08 -0.29 -0.05 0.21 -0.55 0.00 0.00 176.35 175.58 1d4b s ASN 70 N 1.71 0.54 0.55 1.48 3.84 -1.26 -4.99 114.94 116.81 1d4b s ASN 70 Ca 0.13 -0.42 0.28 0.00 0.21 0.00 0.00 52.86 53.06 1d4b s ASN 70 Cb -0.16 0.04 1.58 0.00 -0.55 0.00 0.00 41.25 42.16 1d4b s ASN 70 CO 0.11 -0.18 2.14 1.23 -2.79 0.00 0.00 177.10 177.62 1d4b h GLY 71 N 4.92 0.00 -6.52 1.21 0.00 -2.04 -3.40 103.07 97.23 1d4b h GLY 71 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.59 1d4b h GLY 71 CO 0.43 0.00 -0.77 0.14 0.00 0.00 0.00 176.54 176.34 1d4b s VAL 72 N -4.39 0.46 -0.08 4.60 1.01 -1.26 -5.13 120.40 115.61 1d4b s VAL 72 Ca -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1d4b s VAL 72 Cb 0.14 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1d4b s VAL 72 CO 0.57 0.23 0.19 -0.22 0.00 0.00 0.00 175.10 175.88 1d4b s LEU 73 N 1.30 1.11 -0.26 3.92 1.98 -1.26 -5.03 118.68 120.44 1d4b s LEU 73 Ca -0.05 0.40 -0.16 0.00 -2.89 0.00 0.00 54.13 51.42 1d4b s LEU 73 Cb -0.13 0.64 -0.03 0.00 0.66 0.00 0.00 46.19 47.32 1d4b s LEU 73 CO -0.02 -0.09 0.43 0.42 -1.89 0.00 0.00 176.35 175.20 1d4b s THR 74 N 0.35 5.14 -0.13 3.68 -4.23 -1.21 -4.96 115.64 114.27 1d4b s THR 74 Ca -0.02 0.70 -0.15 0.00 -1.18 0.00 0.00 61.69 61.05 1d4b s THR 74 Cb -0.03 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 1d4b s THR 74 CO -0.01 0.14 0.34 -0.76 -0.54 0.00 0.00 174.62 173.78 1d4b s LEU 75 N 2.11 4.29 0.16 4.79 1.43 -0.66 -3.74 118.68 127.05 1d4b s LEU 75 Ca 0.18 0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1d4b s LEU 75 Cb -0.16 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1d4b s LEU 75 CO 0.09 0.12 0.05 0.68 0.23 0.00 0.00 176.35 177.53 1d4b s VAL 76 N 0.22 0.29 -0.01 -1.59 -7.23 -1.25 0.71 120.40 111.55 1d4b s VAL 76 Ca 0.19 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1d4b s VAL 76 Cb -0.14 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1d4b s VAL 76 CO 0.06 -0.38 -0.10 -1.48 -0.31 0.00 0.00 175.10 172.89 1d4b s LEU 77 N -3.12 2.03 0.09 1.32 2.34 -1.11 -3.94 118.68 116.29 1d4b s LEU 77 Ca 0.27 -0.19 0.23 0.00 0.06 0.00 0.00 54.13 54.50 1d4b s LEU 77 Cb 0.07 -0.51 0.16 0.00 -0.56 0.00 0.00 46.19 45.35 1d4b s LEU 77 CO 0.04 0.11 1.14 1.21 -1.06 0.00 0.00 176.35 177.80 1d4b n GLU 78 N 2.79 0.32 0.14 1.48 2.13 -1.26 -2.82 120.64 123.42 1d4b n GLU 78 Ca -0.14 0.04 -0.07 0.00 0.66 0.00 0.00 57.16 57.65 1d4b n GLU 78 Cb 0.57 -1.64 -0.04 0.00 0.27 0.00 0.00 31.44 30.59 1d4b n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1d4b h GLU 79 N 0.00 -0.40 0.00 5.31 4.81 -1.98 -3.33 114.58 118.99 1d4b h GLU 79 Ca 0.00 0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.03 1d4b h GLU 79 Cb 0.76 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1d4b h GLU 79 CO 0.00 -0.27 -1.82 -3.47 -0.73 0.00 0.00 179.01 172.72 1d4b n ASP 80 N -3.44 0.51 -0.76 1.04 2.03 -1.26 -5.03 116.55 109.65 1d4b n ASP 80 Ca -0.05 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1d4b n ASP 80 Cb 0.18 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1d4b n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d4b n GLY 81 N 1.51 0.60 3.14 0.27 0.00 -1.13 -5.12 105.19 104.46 1d4b n GLY 81 Ca -0.17 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.51 0.15 0.09 2.61 2.01 -1.21 -5.02 115.64 111.77 1d4b s THR 82 Ca 0.00 -1.82 -0.01 0.00 0.31 0.00 0.00 61.69 60.16 1d4b s THR 82 Cb 0.00 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1d4b s THR 82 CO 0.00 -0.67 0.26 0.00 -0.69 0.00 0.00 174.62 173.52 1d4b s ALA 83 N -3.99 3.94 -0.01 7.40 0.00 -1.26 -2.74 121.76 125.10 1d4b s ALA 83 Ca 0.17 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 1d4b s ALA 83 Cb 0.07 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1d4b s ALA 83 CO -0.03 0.77 0.15 0.08 0.00 0.00 0.00 175.76 176.73 1d4b s VAL 84 N -1.56 0.06 0.00 0.00 1.01 0.22 -4.97 120.40 115.16 1d4b s VAL 84 Ca 0.37 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1d4b s VAL 84 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1d4b s VAL 84 CO 0.27 -0.29 0.72 -0.90 0.00 0.00 0.00 175.10 174.90 1d4b n ASP 85 N 1.78 0.00 -3.55 3.32 5.68 -1.26 -1.66 116.55 120.86 1d4b n ASP 85 Ca -0.20 -1.51 -0.14 0.00 -0.50 0.00 0.00 54.79 52.43 1d4b n ASP 85 Cb 0.56 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.38 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1d4b s SER 86 N -0.51 0.79 0.07 -1.12 0.15 -1.26 -5.01 113.70 106.80 1d4b s SER 86 Ca 0.00 -1.45 0.10 0.00 0.70 0.00 0.00 55.95 55.30 1d4b s SER 86 Cb 0.00 0.58 0.46 0.00 -1.71 0.00 0.00 66.02 65.34 1d4b s SER 86 CO 0.00 -1.14 1.31 1.21 1.20 0.00 0.00 173.24 175.82 1d4b n GLU 87 N -0.50 0.04 0.00 5.44 2.13 -1.26 -2.44 120.64 124.05 1d4b n GLU 87 Ca 0.02 0.43 0.01 0.00 0.66 0.00 0.00 57.16 58.28 1d4b n GLU 87 Cb 0.63 -1.60 0.04 0.00 0.27 0.00 0.00 31.44 30.78 1d4b n GLU 87 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1d4b n ASP 88 N -1.67 0.00 -0.04 4.31 -0.08 -1.26 -3.73 116.55 114.08 1d4b n ASP 88 Ca 0.01 0.49 -0.01 0.00 -1.51 0.00 0.00 54.79 53.77 1d4b n ASP 88 Cb 0.08 -0.49 -0.01 0.00 2.34 0.00 0.00 41.12 43.04 1d4b n ASP 88 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1d4b h PHE 89 N 0.00 -0.18 -0.96 -0.67 3.57 -1.91 0.28 116.94 117.06 1d4b h PHE 89 Ca 0.00 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.74 1d4b h PHE 89 Cb 0.03 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 1d4b h PHE 89 CO 0.00 -0.04 0.63 0.74 -2.23 0.00 0.00 178.31 177.42 1d4b h PHE 90 N -0.00 0.58 0.00 0.41 0.04 -1.88 0.45 116.94 116.54 1d4b h PHE 90 Ca 0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1d4b h PHE 90 Cb 0.04 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1d4b h PHE 90 CO -0.94 0.12 0.00 0.37 -0.60 0.00 0.00 178.31 177.25 1d4b h GLN 91 N 0.41 0.00 0.00 1.51 5.75 -0.72 -2.60 115.11 119.46 1d4b h GLN 91 Ca 0.52 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.87 1d4b h GLN 91 Cb 1.31 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 1d4b h GLN 91 CO -0.22 0.00 -1.11 1.25 -2.65 0.00 0.00 178.83 176.10 1d4b h LEU 92 N 0.00 0.00 -9.24 -2.39 5.85 1.00 -3.47 115.31 107.06 1d4b h LEU 92 Ca 0.00 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.11 1d4b h LEU 92 Cb 0.35 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.25 1d4b h LEU 92 CO 0.00 0.55 -0.75 -0.76 -0.34 0.00 0.00 178.44 177.14 1d4b s LEU 93 N -6.00 2.64 1.26 2.25 1.02 -0.98 -5.08 118.68 113.80 1d4b s LEU 93 Ca -0.01 -0.99 -0.18 0.00 0.02 0.00 0.00 54.13 52.97 1d4b s LEU 93 Cb 0.08 -1.16 0.31 0.00 0.02 0.00 0.00 46.19 45.45 1d4b s LEU 93 CO 0.79 0.04 1.02 -1.61 0.02 0.00 0.00 176.35 176.61 1d4b s GLU 94 N -3.51 -1.68 0.01 1.70 2.02 -1.26 -4.82 118.70 111.15 1d4b s GLU 94 Ca 0.30 0.27 -0.30 0.00 0.02 0.00 0.00 54.97 55.27 1d4b s GLU 94 Cb -0.05 -1.51 -0.08 0.00 0.10 0.00 0.00 34.13 32.59 1d4b s GLU 94 CO 0.15 -4.09 1.85 0.34 0.02 0.00 0.00 175.26 173.54 1d4b s ASP 95 N -3.23 6.52 0.14 -0.19 2.15 -1.26 -4.91 116.67 115.89 1d4b s ASP 95 Ca 0.69 2.53 -0.24 0.00 0.43 0.00 0.00 52.55 55.95 1d4b s ASP 95 Cb -0.16 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.01 1d4b s ASP 95 CO 0.59 -1.01 1.06 1.51 -0.17 0.00 0.00 175.17 177.16 1d4b s ASP 96 N 3.99 -0.06 -0.32 -0.34 1.47 -1.26 -5.12 116.67 115.03 1d4b s ASP 96 Ca 0.83 -0.50 0.03 0.00 1.18 0.00 0.00 52.55 54.09 1d4b s ASP 96 Cb -0.40 0.43 0.10 0.00 -0.34 0.00 0.00 42.92 42.71 1d4b s ASP 96 CO 0.37 -0.84 0.04 -0.89 0.68 0.00 0.00 175.17 174.54 1d4b s THR 97 N -2.52 1.98 -0.05 2.11 2.01 -1.26 -5.06 115.64 112.85 1d4b s THR 97 Ca 0.19 -2.07 -0.02 0.00 0.31 0.00 0.00 61.69 60.09 1d4b s THR 97 Cb -0.01 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1d4b s THR 97 CO 0.03 -0.55 0.10 0.00 -0.69 0.00 0.00 174.62 173.51 1d4b s LEU 99 N 0.72 1.81 -0.01 0.00 0.20 -1.26 -4.98 118.68 115.15 1d4b s LEU 99 Ca -0.06 0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.86 1d4b s LEU 99 Cb -0.08 0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.88 1d4b s LEU 99 CO -0.03 -0.02 0.01 -0.32 -0.29 0.00 0.00 176.35 175.69 1d4b s MET 100 N -0.01 0.08 -0.14 1.98 1.75 -1.25 -4.10 119.30 117.61 1d4b s MET 100 Ca -0.00 0.08 -0.03 0.00 -1.25 0.00 0.00 55.69 54.49 1d4b s MET 100 Cb -0.01 -0.23 0.05 0.00 2.84 0.00 0.00 34.83 37.48 1d4b s MET 100 CO 0.00 -0.09 0.04 0.08 -0.65 0.00 0.00 175.02 174.40 1d4b s VAL 101 N 0.64 0.30 0.28 10.11 1.01 -1.26 -3.75 120.40 127.73 1d4b s VAL 101 Ca -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1d4b s VAL 101 Cb -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1d4b s VAL 101 CO -0.02 -0.04 0.37 -1.48 0.00 0.00 0.00 175.10 173.93 1d4b s LEU 102 N 1.98 0.91 0.91 3.92 2.34 -1.25 -4.72 118.68 122.77 1d4b s LEU 102 Ca 0.02 -1.32 -0.14 0.00 0.06 0.00 0.00 54.13 52.74 1d4b s LEU 102 Cb -0.15 1.20 0.17 0.00 -0.56 0.00 0.00 46.19 46.85 1d4b s LEU 102 CO -0.07 -1.12 1.28 -1.58 -1.06 0.00 0.00 176.35 173.80 1d4b s GLN 103 N -3.65 1.01 0.99 1.48 0.74 -1.26 -3.35 119.66 115.62 1d4b s GLN 103 Ca 0.31 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.25 1d4b s GLN 103 Cb 0.02 -1.89 -0.09 0.00 1.10 0.00 0.00 33.01 32.15 1d4b s GLN 103 CO 0.15 -2.17 -0.50 -1.13 -0.55 0.00 0.00 175.29 171.09 1d4b n SER 104 N -3.62 -4.33 -0.73 6.67 3.41 -1.26 -4.66 113.62 109.10 1d4b n SER 104 Ca 0.13 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1d4b n SER 104 Cb 0.60 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 2.83 -0.79 3.78 5.00 0.00 -1.26 -5.05 105.19 109.71 1d4b n GLY 105 Ca 0.01 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.46 4.56 0.00 1.61 0.74 -1.26 -5.06 119.66 119.78 1d4b s GLN 106 Ca 0.00 1.32 -0.00 0.00 0.05 0.00 0.00 55.36 56.72 1d4b s GLN 106 Cb 0.00 -2.76 -0.00 0.00 1.10 0.00 0.00 33.01 31.35 1d4b s GLN 106 CO 0.00 0.26 0.01 -1.12 -0.55 0.00 0.00 175.29 173.88 1d4b s SER 107 N -1.65 0.04 0.16 6.67 0.01 -1.26 -5.16 113.70 112.52 1d4b s SER 107 Ca 0.51 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1d4b s SER 107 Cb -0.18 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 1d4b s SER 107 CO 0.23 -0.07 0.04 0.26 0.41 0.00 0.00 173.24 174.11 1d4b s TRP 108 N -0.33 1.10 0.65 2.43 0.51 -1.26 -5.06 118.94 116.99 1d4b s TRP 108 Ca -0.04 -1.14 -0.11 0.00 -2.12 0.00 0.00 56.10 52.70 1d4b s TRP 108 Cb -0.02 -0.62 -0.02 0.00 -0.81 0.00 0.00 33.47 32.00 1d4b s TRP 108 CO -0.00 -0.36 1.05 -1.54 -0.51 0.00 0.00 176.95 175.58 1d4b s SER 109 N -3.14 5.92 0.63 2.95 1.04 -1.26 -5.03 113.70 114.81 1d4b s SER 109 Ca 0.26 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 57.91 1d4b s SER 109 Cb 0.07 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 1d4b s SER 109 CO 0.04 -1.06 1.08 -2.16 0.98 0.00 0.00 173.24 172.11 1d4b s PRO 110 N -5.21 3.09 0.37 4.02 0.04 -1.26 -5.07 135.00 130.98 1d4b s PRO 110 Ca 0.56 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.93 1d4b s PRO 110 Cb -0.11 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1d4b s PRO 110 CO 0.54 -1.00 0.00 0.99 0.04 0.00 0.00 177.00 177.56 1d4b s THR 111 N -2.47 2.26 -0.20 1.26 2.01 -1.26 -5.08 115.64 112.16 1d4b s THR 111 Ca 0.64 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.33 1d4b s THR 111 Cb -0.17 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1d4b s THR 111 CO 0.40 -0.11 1.41 -0.60 -0.69 0.00 0.00 174.62 175.03 1d4b s ARG 112 N -3.71 4.04 -0.08 4.92 3.52 -1.26 -5.00 118.95 121.38 1d4b s ARG 112 Ca 0.35 1.63 0.01 0.00 -0.13 0.00 0.00 55.73 57.60 1d4b s ARG 112 Cb 0.05 -3.89 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 1d4b s ARG 112 CO 0.18 -0.97 -0.11 -1.12 -0.81 0.00 0.00 175.30 172.48 1d4b s SER 113 N 2.90 4.27 0.05 -2.12 0.01 -1.26 -4.89 113.70 112.65 1d4b s SER 113 Ca 0.62 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1d4b s SER 113 Cb -0.23 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1d4b s SER 113 CO 0.22 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1d4b n GLY 114 N 2.64 -0.95 2.60 3.44 0.00 -1.26 -5.02 105.19 106.65 1d4b n GLY 114 Ca -0.18 0.35 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1d4b n GLY 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1d4b n VAL 115 N -2.68 0.00 -1.54 1.61 3.14 -1.26 -4.98 118.33 112.62 1d4b n VAL 115 Ca 0.00 -1.07 -0.08 0.00 -2.96 0.00 0.00 64.34 60.23 1d4b n VAL 115 Cb 0.00 0.83 0.17 0.00 -1.06 0.00 0.00 33.84 33.78 1d4b n VAL 115 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1d4b n LEU 116 N -0.66 4.34 0.00 6.55 4.77 -1.26 -4.71 117.00 126.03 1d4b n LEU 116 Ca -0.13 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 1d4b n LEU 116 Cb 0.77 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1d4b n LEU 116 CO -0.10 1.41 0.00 0.00 -1.33 0.00 0.00 177.39 177.37 1d4b n HIS 117 N -1.06 0.00 -3.63 -1.77 1.44 -1.26 -5.15 115.22 103.79 1d4b n HIS 117 Ca 0.35 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.96 1d4b n HIS 117 Cb 0.98 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 31.04 1d4b n HIS 117 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1d4b s HIS 118 N -0.99 -0.23 0.21 -1.40 2.46 -1.26 -5.18 115.29 108.89 1d4b s HIS 118 Ca 0.00 -0.03 0.02 0.00 0.47 0.00 0.00 55.06 55.52 1d4b s HIS 118 Cb 0.00 0.27 0.02 0.00 -0.13 0.00 0.00 32.58 32.74 1d4b s HIS 118 CO 0.00 -0.69 0.17 0.72 -2.47 0.00 0.00 174.74 172.47 1d4b n HIS 119 N -0.11 -1.36 0.13 3.88 8.25 -1.26 -4.67 115.22 120.07 1d4b n HIS 119 Ca -0.16 -0.86 0.00 0.00 -0.26 0.00 0.00 57.72 56.43 1d4b n HIS 119 Cb 0.63 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1d4b n HIS 119 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1d4b n HIS 120 N -1.05 -3.24 -3.62 4.41 8.25 -1.26 -5.15 115.22 113.56 1d4b n HIS 120 Ca 0.00 0.79 -0.15 0.00 -0.26 0.00 0.00 57.72 58.10 1d4b n HIS 120 Cb 0.23 2.09 -0.07 0.00 1.12 0.00 0.00 29.99 33.36 1d4b n HIS 120 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1d4b s HIS 121 N -1.57 -0.64 0.00 4.41 2.46 -1.26 -5.34 115.29 113.35 1d4b s HIS 121 Ca 0.00 1.40 0.00 0.00 0.47 0.00 0.00 55.06 56.93 1d4b s HIS 121 Cb 0.00 0.28 0.00 0.00 -0.13 0.00 0.00 32.58 32.73 1d4b s HIS 121 CO 0.00 -0.43 0.00 1.58 -2.47 0.00 0.00 174.74 173.42