#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 0.00 -4.27 2.12 -0.58 -1.26 -5.16 120.64 111.49 1d4b n GLU 2 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1d4b n GLU 2 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 1d4b n GLU 2 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1d4b s TYR 3 N -1.24 1.57 -0.26 -0.32 5.04 -1.26 -5.08 117.35 115.80 1d4b s TYR 3 Ca 0.00 -1.53 -0.28 0.00 -2.44 0.00 0.00 57.07 52.82 1d4b s TYR 3 Cb 0.00 -0.71 -0.06 0.00 0.35 0.00 0.00 41.96 41.55 1d4b s TYR 3 CO 0.00 -0.74 2.25 1.28 -1.34 0.00 0.00 175.55 177.00 1d4b n LEU 4 N -0.53 3.05 0.00 6.97 4.32 -1.26 -4.17 117.00 125.38 1d4b n LEU 4 Ca 0.05 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1d4b n LEU 4 Cb 0.64 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1d4b n LEU 4 CO 0.33 -0.80 0.00 -1.54 -1.22 0.00 0.00 177.39 174.16 1d4b n SER 5 N 12.10 0.00 0.00 -1.43 3.41 -1.26 -5.00 113.62 121.44 1d4b n SER 5 Ca 0.32 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1d4b n SER 5 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1d4b n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d4b h ALA 6 N 0.00 -0.54 -3.50 7.33 0.00 -2.03 -3.43 119.26 117.10 1d4b h ALA 6 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1d4b h ALA 6 Cb 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 17.79 18.29 1d4b h ALA 6 CO 0.00 -0.89 -0.76 -0.48 0.00 0.00 0.00 179.25 177.11 1d4b s LEU 7 N -10.39 2.20 -0.43 0.00 0.05 -1.26 -5.10 118.68 103.75 1d4b s LEU 7 Ca -0.15 -0.47 0.04 0.00 0.05 0.00 0.00 54.13 53.60 1d4b s LEU 7 Cb 0.10 -0.39 0.17 0.00 -2.05 0.00 0.00 46.19 44.02 1d4b s LEU 7 CO 0.65 -0.07 0.41 0.20 -0.55 0.00 0.00 176.35 176.99 1d4b s ASN 8 N -1.28 0.88 0.00 1.48 -0.87 -1.26 -5.04 114.94 108.84 1d4b s ASN 8 Ca -0.03 -2.79 0.00 0.00 -1.57 0.00 0.00 52.86 48.47 1d4b s ASN 8 Cb -0.08 0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.16 1d4b s ASN 8 CO 0.01 -0.15 0.13 -0.81 -2.57 0.00 0.00 177.10 173.71 1d4b n PRO 9 N 2.89 0.00 0.00 -0.60 -0.04 -1.26 -5.06 135.00 130.93 1d4b n PRO 9 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1d4b n PRO 9 Cb 0.49 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 1d4b n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1d4b n SER 10 N -0.33 0.00 -4.88 3.54 7.64 -1.26 -5.15 113.62 113.19 1d4b n SER 10 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1d4b n SER 10 Cb 0.00 0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 1d4b n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1d4b s ASP 11 N -0.17 5.65 -0.23 6.43 2.15 -1.26 -5.04 116.67 124.20 1d4b s ASP 11 Ca 0.00 -0.26 0.10 0.00 0.43 0.00 0.00 52.55 52.83 1d4b s ASP 11 Cb 0.00 -1.34 0.44 0.00 -0.30 0.00 0.00 42.92 41.71 1d4b s ASP 11 CO 0.00 -0.17 1.20 -0.11 -0.17 0.00 0.00 175.17 175.92 1d4b n LEU 12 N -1.32 3.40 -3.61 -1.34 0.00 -1.26 -4.97 117.00 107.89 1d4b n LEU 12 Ca -0.06 -4.11 -0.14 0.00 0.00 0.00 0.00 56.01 51.71 1d4b n LEU 12 Cb 0.58 -0.42 -0.13 0.00 0.00 0.00 0.00 43.42 43.46 1d4b n LEU 12 CO 0.43 1.61 -0.14 -0.22 0.00 0.00 0.00 177.39 179.08 1d4b s LEU 13 N -3.25 -0.31 -0.47 -1.96 2.96 -1.26 -5.10 118.68 109.29 1d4b s LEU 13 Ca 0.42 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 1d4b s LEU 13 Cb 0.38 0.70 0.13 0.00 0.50 0.00 0.00 46.19 47.91 1d4b s LEU 13 CO -0.03 -0.26 0.25 -0.60 -1.32 0.00 0.00 176.35 174.39 1d4b s ARG 14 N 2.42 1.54 -0.48 1.98 3.52 -1.26 -5.00 118.95 121.67 1d4b s ARG 14 Ca 0.03 -2.24 0.05 0.00 -0.13 0.00 0.00 55.73 53.44 1d4b s ARG 14 Cb -0.13 -2.69 0.20 0.00 -1.56 0.00 0.00 34.95 30.77 1d4b s ARG 14 CO -0.10 -1.15 0.46 0.45 -0.81 0.00 0.00 175.30 174.16 1d4b n SER 15 N 3.36 0.76 -4.85 -2.12 2.88 -1.26 -5.11 113.62 107.28 1d4b n SER 15 Ca 0.08 -2.72 -0.35 0.00 -1.33 0.00 0.00 58.87 54.54 1d4b n SER 15 Cb 0.34 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.12 1d4b n SER 15 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1d4b s VAL 16 N -0.82 4.95 -0.36 2.46 1.01 -1.26 -4.99 120.40 121.39 1d4b s VAL 16 Ca 0.33 0.72 0.06 0.00 0.00 0.00 0.00 61.98 63.09 1d4b s VAL 16 Cb 0.07 -3.71 0.26 0.00 0.00 0.00 0.00 36.38 33.01 1d4b s VAL 16 CO -0.15 0.30 1.24 -1.20 0.00 0.00 0.00 175.10 175.29 1d4b n SER 17 N 0.97 -1.58 -4.95 3.32 7.64 -1.26 -5.15 113.62 112.61 1d4b n SER 17 Ca -0.07 -2.13 -0.24 0.00 1.01 0.00 0.00 58.87 57.44 1d4b n SER 17 Cb 0.52 0.99 -0.00 0.00 -1.01 0.00 0.00 64.21 64.70 1d4b n SER 17 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1d4b s ASN 18 N -0.80 6.13 0.00 6.43 2.47 -1.26 -5.10 114.94 122.81 1d4b s ASN 18 Ca 0.14 0.40 0.00 0.00 0.42 0.00 0.00 52.86 53.82 1d4b s ASN 18 Cb 0.27 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 38.22 1d4b s ASN 18 CO -0.06 -0.45 0.00 -0.38 -3.72 0.00 0.00 177.10 172.49 1d4b n ILE 19 N -1.90 0.00 -4.12 -5.21 2.08 -1.26 -5.17 119.36 103.77 1d4b n ILE 19 Ca -0.02 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.13 1d4b n ILE 19 Cb 0.57 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.32 1d4b n ILE 19 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1d4b s SER 20 N 0.00 0.58 -0.20 4.38 0.01 -1.26 -5.15 113.70 112.06 1d4b s SER 20 Ca 0.00 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1d4b s SER 20 Cb 0.00 -0.05 0.09 0.00 0.21 0.00 0.00 66.02 66.27 1d4b s SER 20 CO 0.00 0.03 0.81 -0.55 0.41 0.00 0.00 173.24 173.94 1d4b s SER 21 N -0.25 -0.61 -0.18 2.44 0.15 -1.26 -5.17 113.70 108.81 1d4b s SER 21 Ca 0.01 1.00 -0.28 0.00 0.70 0.00 0.00 55.95 57.38 1d4b s SER 21 Cb -0.03 0.95 0.09 0.00 -1.71 0.00 0.00 66.02 65.33 1d4b s SER 21 CO -0.00 -0.34 0.83 -1.83 1.20 0.00 0.00 173.24 173.11 1d4b s GLU 22 N -0.26 0.79 0.00 5.44 -1.05 -1.26 -5.18 118.70 117.18 1d4b s GLU 22 Ca -0.02 0.50 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 1d4b s GLU 22 Cb -0.03 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1d4b s GLU 22 CO 0.02 -0.18 0.00 1.97 0.95 0.00 0.00 175.26 178.02 1d4b n PHE 23 N 1.60 0.00 0.00 4.83 -1.74 -1.26 -5.13 117.46 115.76 1d4b n PHE 23 Ca -0.14 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.75 1d4b n PHE 23 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1d4b n PHE 23 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1d4b n GLY 24 N 0.00 1.24 2.55 4.97 0.00 -1.26 -5.05 105.19 107.64 1d4b n GLY 24 Ca 0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1d4b n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d4b n ARG 25 N 0.00 3.16 -1.90 1.61 3.00 -1.26 -4.96 116.66 116.32 1d4b n ARG 25 Ca 0.00 -4.03 -0.23 0.00 -0.00 0.00 0.00 57.85 53.59 1d4b n ARG 25 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 32.46 30.12 1d4b n ARG 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1d4b s ARG 26 N -3.75 2.06 -0.22 -0.14 3.52 -1.26 -4.80 118.95 114.36 1d4b s ARG 26 Ca 0.51 -0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1d4b s ARG 26 Cb 0.42 -5.11 0.11 0.00 -1.56 0.00 0.00 34.95 28.82 1d4b s ARG 26 CO -0.22 -4.36 0.38 0.54 -0.81 0.00 0.00 175.30 170.84 1d4b s VAL 27 N 12.87 -0.60 -0.28 7.11 0.11 -1.26 -5.03 120.40 133.31 1d4b s VAL 27 Ca 0.74 0.04 0.21 0.00 -2.93 0.00 0.00 61.98 60.04 1d4b s VAL 27 Cb -0.04 -0.73 0.49 0.00 -1.53 0.00 0.00 36.38 34.57 1d4b s VAL 27 CO 0.12 -0.04 1.13 1.87 -3.33 0.00 0.00 175.10 174.85 1d4b n TRP 28 N 5.37 0.88 -3.75 1.54 -0.00 -1.26 -5.05 117.44 115.17 1d4b n TRP 28 Ca -0.06 -2.21 -0.38 0.00 -0.00 0.00 0.00 57.50 54.86 1d4b n TRP 28 Cb 0.50 -0.07 -0.12 0.00 -0.00 0.00 0.00 31.31 31.62 1d4b n TRP 28 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1d4b s THR 29 N -3.28 3.72 -0.25 5.87 -4.23 -1.26 -4.87 115.64 111.34 1d4b s THR 29 Ca 0.25 -1.24 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 1d4b s THR 29 Cb 0.36 -3.15 0.30 0.00 1.34 0.00 0.00 72.50 71.34 1d4b s THR 29 CO -0.04 -0.23 1.37 -1.20 -0.54 0.00 0.00 174.62 173.98 1d4b n SER 30 N 4.79 -1.29 -3.15 3.99 7.64 -1.26 -5.08 113.62 119.26 1d4b n SER 30 Ca -0.12 -2.10 0.04 0.00 1.01 0.00 0.00 58.87 57.71 1d4b n SER 30 Cb 0.44 0.57 -0.00 0.00 -1.01 0.00 0.00 64.21 64.21 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 0.09 -2.36 0.57 -0.43 0.00 -1.26 -5.15 121.76 113.22 1d4b s ALA 31 Ca 0.07 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 1d4b s ALA 31 Cb 0.33 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1d4b s ALA 31 CO -0.09 -1.70 1.10 -1.25 0.00 0.00 0.00 175.76 173.81 1d4b s PRO 32 N 2.84 3.29 0.87 0.00 0.04 -1.26 -5.03 135.00 135.76 1d4b s PRO 32 Ca 0.13 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 1d4b s PRO 32 Cb -0.11 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.53 1d4b s PRO 32 CO -0.25 -0.87 1.11 -1.25 0.04 0.00 0.00 177.00 175.79 1d4b s PRO 33 N -3.61 1.45 0.56 0.56 0.04 -1.26 -5.02 135.00 127.71 1d4b s PRO 33 Ca 0.69 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 1d4b s PRO 33 Cb -0.20 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1d4b s PRO 33 CO 0.31 -2.03 1.07 -1.25 0.04 0.00 0.00 177.00 175.14 1d4b s PRO 34 N -5.16 3.43 0.27 0.56 0.04 -1.26 -4.92 135.00 127.96 1d4b s PRO 34 Ca 0.63 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1d4b s PRO 34 Cb -0.15 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 1d4b s PRO 34 CO 0.54 -0.74 1.56 -1.14 0.04 0.00 0.00 177.00 177.27 1d4b s GLN 35 N -3.65 4.17 -0.01 4.56 0.74 -1.26 -4.87 119.66 119.33 1d4b s GLN 35 Ca 0.67 2.50 0.01 0.00 0.05 0.00 0.00 55.36 58.58 1d4b s GLN 35 Cb -0.18 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1d4b s GLN 35 CO 0.30 -0.58 -0.03 0.50 -0.55 0.00 0.00 175.29 174.93 1d4b s ARG 36 N -0.26 0.31 -0.30 1.67 6.06 -1.24 -5.00 118.95 120.20 1d4b s ARG 36 Ca 0.63 -0.08 -0.29 0.00 -2.50 0.00 0.00 55.73 53.49 1d4b s ARG 36 Cb -0.46 -0.35 -0.01 0.00 0.06 0.00 0.00 34.95 34.19 1d4b s ARG 36 CO 0.45 0.03 1.50 -1.25 -2.50 0.00 0.00 175.30 173.53 1d4b s PRO 37 N 0.19 3.73 -0.31 5.12 0.04 -1.26 -1.91 135.00 140.60 1d4b s PRO 37 Ca -0.02 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.29 1d4b s PRO 37 Cb -0.05 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1d4b s PRO 37 CO -0.00 -1.37 0.14 -0.06 0.04 0.00 0.00 177.00 175.74 1d4b s PHE 38 N 5.21 3.18 -0.46 0.56 0.08 -0.69 -4.94 117.98 120.93 1d4b s PHE 38 Ca 0.66 -0.73 -0.29 0.00 0.12 0.00 0.00 56.93 56.69 1d4b s PHE 38 Cb -0.20 -2.33 0.03 0.00 -0.57 0.00 0.00 43.02 39.94 1d4b s PHE 38 CO 0.29 -0.51 1.16 0.50 -0.10 0.00 0.00 175.22 176.56 1d4b s ARG 39 N 1.57 3.74 0.00 0.44 3.52 -1.26 -3.24 118.95 123.73 1d4b s ARG 39 Ca 0.04 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 1d4b s ARG 39 Cb -0.17 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 1d4b s ARG 39 CO 0.05 -1.36 0.04 0.08 -0.81 0.00 0.00 175.30 173.31 1d4b s VAL 40 N 4.48 4.42 0.11 7.11 1.01 -0.95 -4.18 120.40 132.40 1d4b s VAL 40 Ca 0.49 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1d4b s VAL 40 Cb -0.08 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1d4b s VAL 40 CO 0.30 0.35 -0.11 0.00 0.00 0.00 0.00 175.10 175.64 1d4b s ASP 42 N -2.52 4.57 0.00 0.00 -1.08 0.84 -4.35 116.67 114.12 1d4b s ASP 42 Ca 0.07 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 1d4b s ASP 42 Cb -0.03 -0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.39 1d4b s ASP 42 CO 0.01 -1.70 0.12 1.57 0.52 0.00 0.00 175.17 175.69 1d4b n HIS 43 N -2.68 0.00 -0.00 -5.34 -0.00 -1.26 -4.44 115.22 101.50 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 -0.29 0.02 -0.26 1.57 3.00 -1.26 -4.94 118.16 116.01 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 0.02 1.64 0.63 -1.26 -4.96 116.66 110.29 1d4b n ARG 45 Ca -0.00 -0.25 -0.10 0.00 -0.92 0.00 0.00 57.85 56.57 1d4b n ARG 45 Cb 0.02 -0.16 -0.05 0.00 0.45 0.00 0.00 32.46 32.72 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 4.39 0.83 -3.34 5.15 1.35 -1.92 -3.42 112.91 115.95 1d4b h THR 46 Ca 0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.45 1d4b h THR 46 Cb 1.07 0.83 -0.37 0.00 -1.73 0.00 0.00 68.15 67.95 1d4b h THR 46 CO 0.00 0.00 -0.76 -0.63 -0.25 0.00 0.00 175.52 173.88 1d4b s ILE 47 N -6.18 0.33 -0.31 6.82 1.01 -1.26 -5.02 121.20 116.59 1d4b s ILE 47 Ca -0.14 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1d4b s ILE 47 Cb 0.08 -0.46 0.11 0.00 0.01 0.00 0.00 42.46 42.21 1d4b s ILE 47 CO 0.67 0.22 0.15 -0.60 0.00 0.00 0.00 174.94 175.39 1d4b s ARG 48 N 1.60 0.28 0.04 2.79 3.52 -1.26 -0.11 118.95 125.81 1d4b s ARG 48 Ca -0.01 -0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 1d4b s ARG 48 Cb -0.13 -1.18 -0.03 0.00 -1.56 0.00 0.00 34.95 32.05 1d4b s ARG 48 CO -0.03 -1.07 -0.02 0.21 -0.81 0.00 0.00 175.30 173.57 1d4b s LYS 49 N 1.84 0.55 -0.34 5.12 2.47 -1.10 -5.03 119.74 123.25 1d4b s LYS 49 Ca 0.11 -1.07 -0.00 0.00 -1.56 0.00 0.00 55.97 53.45 1d4b s LYS 49 Cb -0.18 0.19 0.08 0.00 -1.46 0.00 0.00 37.83 36.46 1d4b s LYS 49 CO -0.27 -0.10 0.06 0.20 0.16 0.00 0.00 175.35 175.40 1d4b s GLY 50 N -2.58 1.86 0.30 5.54 0.00 -1.26 -2.24 107.32 108.93 1d4b s GLY 50 Ca 0.02 -2.17 0.09 0.00 0.00 0.00 0.00 44.72 42.65 1d4b s GLY 50 CO -0.08 0.84 0.09 1.08 0.00 0.00 0.00 173.10 175.03 1d4b s LEU 51 N 1.12 3.30 0.06 0.66 1.43 -1.20 -4.88 118.68 119.17 1d4b s LEU 51 Ca 0.02 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 1d4b s LEU 51 Cb -0.21 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1d4b s LEU 51 CO -0.04 -0.14 0.98 0.42 0.23 0.00 0.00 176.35 177.80 1d4b s THR 52 N -2.35 4.65 -0.03 5.49 -4.23 -1.26 -1.70 115.64 116.21 1d4b s THR 52 Ca 0.34 2.05 0.00 0.00 -1.18 0.00 0.00 61.69 62.91 1d4b s THR 52 Cb -0.05 -4.31 0.03 0.00 1.34 0.00 0.00 72.50 69.51 1d4b s THR 52 CO 0.22 0.24 0.02 0.00 -0.54 0.00 0.00 174.62 174.56 1d4b s ALA 53 N 0.46 0.22 -0.30 3.99 0.00 -0.80 -4.89 121.76 120.42 1d4b s ALA 53 Ca 0.49 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1d4b s ALA 53 Cb -0.22 -0.32 0.10 0.00 0.00 0.00 0.00 23.12 22.67 1d4b s ALA 53 CO 0.29 -0.13 0.11 0.00 0.00 0.00 0.00 175.76 176.04 1d4b s ALA 54 N 1.15 1.17 -0.02 0.00 0.00 -1.26 -3.70 121.76 119.11 1d4b s ALA 54 Ca -0.08 -1.46 -0.21 0.00 0.00 0.00 0.00 51.96 50.21 1d4b s ALA 54 Cb -0.13 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.50 1d4b s ALA 54 CO -0.02 -1.67 0.46 0.99 0.00 0.00 0.00 175.76 175.51 1d4b s THR 55 N 1.79 0.04 0.00 0.00 2.01 -1.26 -4.97 115.64 113.24 1d4b s THR 55 Ca 0.10 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1d4b s THR 55 Cb -0.17 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1d4b s THR 55 CO -0.29 -0.16 0.00 -1.14 -0.69 0.00 0.00 174.62 172.33 1d4b n ARG 56 N 1.01 0.00 -0.05 4.92 0.63 -1.26 -4.44 116.66 117.47 1d4b n ARG 56 Ca -0.20 0.06 -0.22 0.00 -0.92 0.00 0.00 57.85 56.57 1d4b n ARG 56 Cb 0.57 -0.35 -0.13 0.00 0.45 0.00 0.00 32.46 33.00 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 -1.30 0.66 0.14 -0.14 7.27 -1.26 -4.01 117.38 118.73 1d4b n GLN 57 Ca 0.00 0.43 0.10 0.00 0.07 0.00 0.00 57.00 57.60 1d4b n GLN 57 Cb 0.00 -1.73 0.53 0.00 2.41 0.00 0.00 30.24 31.45 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 -4.00 0.14 -0.32 3.69 2.13 -1.26 -2.69 120.64 118.32 1d4b n GLU 58 Ca -0.32 0.59 0.12 0.00 0.66 0.00 0.00 57.16 58.21 1d4b n GLU 58 Cb 0.85 -1.91 0.29 0.00 0.27 0.00 0.00 31.44 30.95 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 0.56 -0.51 4.31 6.46 -1.78 -0.34 115.31 124.02 1d4b h LEU 59 Ca 0.00 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1d4b h LEU 59 Cb 0.06 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1d4b h LEU 59 CO 0.00 0.16 0.27 0.25 -0.62 0.00 0.00 178.44 178.49 1d4b h LEU 60 N 0.59 0.65 -2.14 2.25 7.12 -1.79 -1.86 115.31 120.13 1d4b h LEU 60 Ca 0.55 -0.11 0.06 0.00 0.13 0.00 0.00 57.88 58.51 1d4b h LEU 60 Cb 0.91 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 1d4b h LEU 60 CO -0.43 0.57 0.30 0.00 -0.13 0.00 0.00 178.44 178.75 1d4b h ALA 61 N 1.10 1.79 0.28 1.25 0.00 -1.26 -2.20 119.26 120.23 1d4b h ALA 61 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1d4b h ALA 61 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1d4b h ALA 61 CO -0.03 -0.41 -0.13 -0.22 0.00 0.00 0.00 179.25 178.46 1d4b h LYS 62 N 0.00 -0.36 -0.86 0.00 3.11 -1.18 -2.76 116.57 114.53 1d4b h LYS 62 Ca 0.10 0.02 0.25 0.00 -2.81 0.00 0.00 60.65 58.22 1d4b h LYS 62 Cb 0.69 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.97 1d4b h LYS 62 CO -0.00 -0.08 0.70 0.00 -2.81 0.00 0.00 179.45 177.26 1d4b h ALA 63 N 0.02 2.74 -1.76 5.00 0.00 -1.47 0.93 119.26 124.72 1d4b h ALA 63 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d4b h ALA 63 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1d4b h ALA 63 CO 0.06 -1.14 0.00 1.28 0.00 0.00 0.00 179.25 179.45 1d4b n LEU 64 N -4.00 1.45 0.30 0.00 7.99 -1.06 -4.22 117.00 117.46 1d4b n LEU 64 Ca 0.18 0.30 0.18 0.00 -0.01 0.00 0.00 56.01 56.65 1d4b n LEU 64 Cb 1.00 -0.21 0.97 0.00 -0.11 0.00 0.00 43.42 45.07 1d4b n LEU 64 CO 0.35 -0.21 1.10 -0.08 -1.51 0.00 0.00 177.39 177.04 1d4b h GLU 65 N 0.00 0.00 -0.70 3.23 4.22 -1.41 -2.77 114.58 117.16 1d4b h GLU 65 Ca 0.00 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.57 1d4b h GLU 65 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1d4b h GLU 65 CO 0.00 0.03 0.22 0.00 -2.18 0.00 0.00 179.01 177.08 1d4b h THR 66 N 0.00 0.64 0.00 0.32 1.03 -0.98 -3.31 112.91 110.61 1d4b h THR 66 Ca -0.00 -0.12 -0.35 0.00 -0.01 0.00 0.00 66.41 65.92 1d4b h THR 66 Cb 0.15 0.25 -0.05 0.00 -1.07 0.00 0.00 68.15 67.43 1d4b h THR 66 CO 0.00 0.07 -2.16 0.18 -0.01 0.00 0.00 175.52 173.60 1d4b n LEU 67 N -5.06 1.84 -4.21 0.00 4.77 -1.17 -5.05 117.00 108.12 1d4b n LEU 67 Ca 0.12 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1d4b n LEU 67 Cb 0.38 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1d4b n LEU 67 CO 0.17 0.38 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.45 1d4b s LEU 68 N -7.50 2.50 -0.42 2.23 2.01 -1.05 -5.12 118.68 111.34 1d4b s LEU 68 Ca -0.35 -1.02 -0.17 0.00 0.01 0.00 0.00 54.13 52.60 1d4b s LEU 68 Cb 0.12 -0.21 0.02 0.00 0.01 0.00 0.00 46.19 46.13 1d4b s LEU 68 CO 0.45 -0.40 0.45 -1.48 1.01 0.00 0.00 176.35 176.37 1d4b s LEU 69 N -3.11 4.80 -0.01 1.79 0.05 -1.26 -2.96 118.68 117.97 1d4b s LEU 69 Ca 0.15 -0.61 -0.01 0.00 0.05 0.00 0.00 54.13 53.71 1d4b s LEU 69 Cb 0.04 -2.41 0.01 0.00 -2.05 0.00 0.00 46.19 41.78 1d4b s LEU 69 CO -0.02 -0.58 0.03 0.21 -0.55 0.00 0.00 176.35 175.45 1d4b s ASN 70 N 1.82 -0.01 0.10 1.48 3.84 -1.26 -5.04 114.94 115.86 1d4b s ASN 70 Ca 0.13 0.06 -0.14 0.00 0.21 0.00 0.00 52.86 53.12 1d4b s ASN 70 Cb -0.17 0.03 -0.11 0.00 -0.55 0.00 0.00 41.25 40.46 1d4b s ASN 70 CO 0.14 -0.04 1.37 1.23 -2.79 0.00 0.00 177.10 177.01 1d4b h GLY 71 N 6.42 0.80 -6.19 1.21 0.00 -2.01 -3.44 103.07 99.86 1d4b h GLY 71 Ca -0.30 -0.93 -0.39 0.00 0.00 0.00 0.00 47.33 45.71 1d4b h GLY 71 CO 0.49 0.84 -0.77 0.14 0.00 0.00 0.00 176.54 177.24 1d4b s VAL 72 N -4.11 0.44 -0.01 4.60 1.01 -1.26 -5.14 120.40 115.92 1d4b s VAL 72 Ca -0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1d4b s VAL 72 Cb 0.09 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1d4b s VAL 72 CO 0.85 0.20 0.16 -0.22 0.00 0.00 0.00 175.10 176.09 1d4b s LEU 73 N 0.85 1.45 0.05 3.92 1.98 -1.26 -5.06 118.68 120.61 1d4b s LEU 73 Ca -0.11 -0.09 -0.23 0.00 -2.89 0.00 0.00 54.13 50.82 1d4b s LEU 73 Cb -0.14 0.72 -0.06 0.00 0.66 0.00 0.00 46.19 47.38 1d4b s LEU 73 CO -0.00 -0.33 0.69 0.42 -1.89 0.00 0.00 176.35 175.24 1d4b s THR 74 N -1.15 4.73 -0.13 3.68 -4.23 -1.23 -5.01 115.64 112.31 1d4b s THR 74 Ca -0.12 1.47 -0.08 0.00 -1.18 0.00 0.00 61.69 61.78 1d4b s THR 74 Cb -0.06 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 1d4b s THR 74 CO 0.02 0.43 0.15 -0.76 -0.54 0.00 0.00 174.62 173.92 1d4b s LEU 75 N -0.38 4.36 0.21 4.79 1.43 -0.98 -3.79 118.68 124.31 1d4b s LEU 75 Ca 0.35 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1d4b s LEU 75 Cb -0.20 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1d4b s LEU 75 CO 0.21 0.36 0.18 0.68 0.23 0.00 0.00 176.35 178.01 1d4b s VAL 76 N -0.75 0.00 -0.01 -1.59 -7.23 -1.24 0.01 120.40 109.59 1d4b s VAL 76 Ca 0.14 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1d4b s VAL 76 Cb -0.12 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1d4b s VAL 76 CO 0.03 0.00 -0.05 -1.48 -0.31 0.00 0.00 175.10 173.29 1d4b s LEU 77 N -3.14 1.80 0.13 1.32 2.34 -1.18 -3.94 118.68 116.01 1d4b s LEU 77 Ca 0.37 -0.10 0.25 0.00 0.06 0.00 0.00 54.13 54.70 1d4b s LEU 77 Cb 0.06 -0.33 0.43 0.00 -0.56 0.00 0.00 46.19 45.79 1d4b s LEU 77 CO 0.12 0.03 1.40 1.21 -1.06 0.00 0.00 176.35 178.05 1d4b n GLU 78 N 3.27 0.28 0.03 1.48 2.13 -1.26 -1.94 120.64 124.64 1d4b n GLU 78 Ca -0.17 0.11 -0.11 0.00 0.66 0.00 0.00 57.16 57.65 1d4b n GLU 78 Cb 0.56 -1.71 -0.05 0.00 0.27 0.00 0.00 31.44 30.51 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 -0.09 0.00 5.31 4.81 -1.99 -3.35 114.58 119.26 1d4b h GLU 79 Ca 0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1d4b h GLU 79 Cb 0.74 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1d4b h GLU 79 CO 0.00 -0.06 -1.38 -3.47 -0.73 0.00 0.00 179.01 173.37 1d4b n ASP 80 N -5.18 3.59 -0.72 1.04 2.03 -1.26 -5.07 116.55 110.98 1d4b n ASP 80 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1d4b n ASP 80 Cb 0.11 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 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 2.57 0.56 2.91 0.27 0.00 -0.82 -5.11 105.19 105.57 1d4b n GLY 81 Ca -0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.48 0.02 0.27 2.61 2.01 -1.23 -5.00 115.64 111.85 1d4b s THR 82 Ca 0.00 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.62 1d4b s THR 82 Cb 0.00 -0.08 -0.09 0.00 0.01 0.00 0.00 72.50 72.34 1d4b s THR 82 CO 0.00 -0.10 0.76 0.00 -0.69 0.00 0.00 174.62 174.59 1d4b s ALA 83 N -0.30 3.35 0.00 7.40 0.00 -1.26 -3.12 121.76 127.83 1d4b s ALA 83 Ca -0.03 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 1d4b s ALA 83 Cb -0.02 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 1d4b s ALA 83 CO -0.00 0.30 0.08 0.08 0.00 0.00 0.00 175.76 176.22 1d4b s VAL 84 N -1.69 0.09 0.00 0.00 1.01 0.10 -4.98 120.40 114.92 1d4b s VAL 84 Ca 0.48 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1d4b s VAL 84 Cb -0.15 -0.36 0.10 0.00 0.00 0.00 0.00 36.38 35.98 1d4b s VAL 84 CO 0.20 -0.39 0.99 -0.90 0.00 0.00 0.00 175.10 175.00 1d4b n ASP 85 N 1.62 0.20 -3.56 3.32 5.68 -1.26 -2.32 116.55 120.24 1d4b n ASP 85 Ca -0.22 -1.90 -0.14 0.00 -0.50 0.00 0.00 54.79 52.02 1d4b n ASP 85 Cb 0.56 -0.19 -0.06 0.00 -1.14 0.00 0.00 41.12 40.29 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 -1.14 0.79 0.14 -1.12 1.04 -1.26 -5.01 113.70 107.13 1d4b s SER 86 Ca 0.08 -1.44 0.12 0.00 0.48 0.00 0.00 55.95 55.19 1d4b s SER 86 Cb 0.10 0.58 0.59 0.00 0.10 0.00 0.00 66.02 67.38 1d4b s SER 86 CO -0.04 -1.14 1.36 1.21 0.98 0.00 0.00 173.24 175.61 1d4b n GLU 87 N -0.50 0.07 0.00 4.02 2.13 -1.26 -2.20 120.64 122.91 1d4b n GLU 87 Ca 0.02 0.51 0.02 0.00 0.66 0.00 0.00 57.16 58.37 1d4b n GLU 87 Cb 0.63 -1.70 0.11 0.00 0.27 0.00 0.00 31.44 30.75 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 -1.84 0.00 -0.40 4.31 -0.08 -1.26 -3.23 116.55 114.05 1d4b n ASP 88 Ca 0.00 0.49 0.33 0.00 -1.51 0.00 0.00 54.79 54.10 1d4b n ASP 88 Cb 0.06 -0.49 0.60 0.00 2.34 0.00 0.00 41.12 43.63 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 0.60 0.00 -0.67 3.04 -1.86 0.89 116.94 118.94 1d4b h PHE 89 Ca 0.00 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1d4b h PHE 89 Cb 0.09 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1d4b h PHE 89 CO 0.00 -0.16 -1.02 0.74 -2.02 0.00 0.00 178.31 175.84 1d4b h PHE 90 N 0.16 0.00 0.00 0.41 0.04 -1.86 -3.33 116.94 112.36 1d4b h PHE 90 Ca 0.77 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.53 1d4b h PHE 90 Cb 2.26 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.41 1d4b h PHE 90 CO -0.01 0.13 -0.05 0.37 -0.60 0.00 0.00 178.31 178.15 1d4b h GLN 91 N 0.00 0.00 0.00 1.51 4.15 0.55 -3.16 115.11 118.16 1d4b h GLN 91 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1d4b h GLN 91 Cb 1.13 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 1d4b h GLN 91 CO 0.01 0.05 -0.26 1.25 -1.93 0.00 0.00 178.83 177.95 1d4b h LEU 92 N 0.00 0.00 -9.05 -2.39 5.85 -1.31 -3.46 115.31 104.95 1d4b h LEU 92 Ca -0.00 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.21 1d4b h LEU 92 Cb 0.95 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.84 1d4b h LEU 92 CO 0.01 0.03 -0.73 -0.76 -0.34 0.00 0.00 178.44 176.65 1d4b s LEU 93 N -6.03 2.56 1.26 2.25 1.02 -1.19 -5.12 118.68 113.43 1d4b s LEU 93 Ca 0.05 -1.06 -0.18 0.00 0.02 0.00 0.00 54.13 52.96 1d4b s LEU 93 Cb 0.06 -0.81 0.31 0.00 0.02 0.00 0.00 46.19 45.77 1d4b s LEU 93 CO 0.70 -0.14 1.02 -1.83 0.02 0.00 0.00 176.35 176.13 1d4b s GLU 94 N -3.62 -1.68 0.03 1.70 -1.05 -1.26 -4.84 118.70 107.98 1d4b s GLU 94 Ca 0.26 0.27 -0.30 0.00 -0.15 0.00 0.00 54.97 55.05 1d4b s GLU 94 Cb -0.01 -1.51 -0.08 0.00 -0.44 0.00 0.00 34.13 32.08 1d4b s GLU 94 CO 0.10 -4.08 1.83 0.34 0.95 0.00 0.00 175.26 174.40 1d4b s ASP 95 N -3.25 6.52 0.16 0.83 2.15 -1.26 -4.92 116.67 116.91 1d4b s ASP 95 Ca 0.69 2.55 -0.24 0.00 0.43 0.00 0.00 52.55 55.98 1d4b s ASP 95 Cb -0.16 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1d4b s ASP 95 CO 0.59 -0.99 1.03 1.51 -0.17 0.00 0.00 175.17 177.14 1d4b s ASP 96 N 3.65 -0.06 -0.31 -0.34 1.47 -1.26 -5.13 116.67 114.70 1d4b s ASP 96 Ca 0.82 -0.55 0.03 0.00 1.18 0.00 0.00 52.55 54.02 1d4b s ASP 96 Cb -0.40 0.47 0.09 0.00 -0.34 0.00 0.00 42.92 42.74 1d4b s ASP 96 CO 0.36 -0.92 0.00 -0.89 0.68 0.00 0.00 175.17 174.41 1d4b s THR 97 N -2.55 2.02 -0.02 2.11 2.01 -1.26 -5.07 115.64 112.88 1d4b s THR 97 Ca 0.18 -1.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.22 1d4b s THR 97 Cb -0.02 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.13 1d4b s THR 97 CO 0.04 -0.41 0.04 0.00 -0.69 0.00 0.00 174.62 173.60 1d4b s LEU 99 N 0.59 1.66 -0.08 0.00 0.20 -1.26 -4.97 118.68 114.83 1d4b s LEU 99 Ca -0.05 0.06 -0.05 0.00 0.69 0.00 0.00 54.13 54.78 1d4b s LEU 99 Cb -0.07 0.07 0.03 0.00 -0.43 0.00 0.00 46.19 45.79 1d4b s LEU 99 CO -0.02 -0.04 0.20 -0.32 -0.29 0.00 0.00 176.35 175.87 1d4b s MET 100 N 0.30 0.18 -0.15 1.98 1.75 -1.25 -4.01 119.30 118.10 1d4b s MET 100 Ca -0.02 0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 54.76 1d4b s MET 100 Cb -0.04 -0.04 0.05 0.00 2.84 0.00 0.00 34.83 37.65 1d4b s MET 100 CO -0.01 -0.10 0.03 0.08 -0.65 0.00 0.00 175.02 174.37 1d4b s VAL 101 N 0.74 0.38 0.19 10.11 1.01 -1.26 -3.67 120.40 127.91 1d4b s VAL 101 Ca -0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1d4b s VAL 101 Cb -0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1d4b s VAL 101 CO -0.04 -0.07 0.29 -1.48 0.00 0.00 0.00 175.10 173.80 1d4b s LEU 102 N 1.94 0.86 0.57 3.92 2.34 -1.25 -4.91 118.68 122.16 1d4b s LEU 102 Ca 0.01 -1.03 -0.12 0.00 0.06 0.00 0.00 54.13 53.06 1d4b s LEU 102 Cb -0.15 1.12 -0.05 0.00 -0.56 0.00 0.00 46.19 46.54 1d4b s LEU 102 CO -0.07 -0.94 0.98 -1.58 -1.06 0.00 0.00 176.35 173.68 1d4b s GLN 103 N -4.03 3.68 1.20 1.48 0.74 -1.26 -3.58 119.66 117.89 1d4b s GLN 103 Ca 0.24 0.72 -0.14 0.00 0.05 0.00 0.00 55.36 56.24 1d4b s GLN 103 Cb 0.03 -2.14 0.30 0.00 1.10 0.00 0.00 33.01 32.30 1d4b s GLN 103 CO 0.06 -0.44 1.01 -1.54 -0.55 0.00 0.00 175.29 173.83 1d4b s SER 104 N -3.88 0.68 0.00 6.67 1.04 -1.26 -4.17 113.70 112.78 1d4b s SER 104 Ca 0.55 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1d4b s SER 104 Cb -0.11 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1d4b s SER 104 CO 0.47 -4.37 0.00 0.61 0.98 0.00 0.00 173.24 170.93 1d4b n GLY 105 N 0.83 0.65 3.17 7.32 0.00 -1.26 -5.06 105.19 110.84 1d4b n GLY 105 Ca 0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.96 0.97 0.31 1.61 0.74 -1.26 -5.18 119.66 112.89 1d4b s GLN 106 Ca 0.00 -1.46 0.04 0.00 0.05 0.00 0.00 55.36 53.99 1d4b s GLN 106 Cb 0.00 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1d4b s GLN 106 CO 0.00 -0.23 0.18 -1.12 -0.55 0.00 0.00 175.29 173.57 1d4b s SER 107 N -3.08 1.56 0.44 6.67 0.01 -1.26 -5.14 113.70 112.89 1d4b s SER 107 Ca 0.24 -1.59 -0.21 0.00 1.31 0.00 0.00 55.95 55.70 1d4b s SER 107 Cb 0.07 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.62 1d4b s SER 107 CO 0.02 -0.92 0.96 0.26 0.41 0.00 0.00 173.24 173.97 1d4b s TRP 108 N -3.59 3.29 0.31 2.43 0.51 -1.26 -5.05 118.94 115.58 1d4b s TRP 108 Ca 0.36 1.61 -0.08 0.00 -2.12 0.00 0.00 56.10 55.86 1d4b s TRP 108 Cb 0.04 -2.87 -0.06 0.00 -0.81 0.00 0.00 33.47 29.78 1d4b s TRP 108 CO 0.19 -0.17 0.62 -1.54 -0.51 0.00 0.00 176.95 175.54 1d4b s SER 109 N -2.18 6.53 -0.16 2.95 1.04 -1.26 -5.02 113.70 115.60 1d4b s SER 109 Ca 0.62 0.92 -0.29 0.00 0.48 0.00 0.00 55.95 57.68 1d4b s SER 109 Cb -0.10 -2.23 -0.02 0.00 0.10 0.00 0.00 66.02 63.77 1d4b s SER 109 CO 0.14 -0.22 1.39 -2.16 0.98 0.00 0.00 173.24 173.36 1d4b s PRO 110 N -3.41 4.15 -0.11 4.02 0.04 -1.26 -5.00 135.00 133.42 1d4b s PRO 110 Ca 0.47 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 1d4b s PRO 110 Cb -0.11 -3.85 -0.05 0.00 0.04 0.00 0.00 34.50 30.53 1d4b s PRO 110 CO 0.27 -0.84 0.35 0.99 0.04 0.00 0.00 177.00 177.81 1d4b s THR 111 N 3.88 5.23 0.46 1.26 2.01 -1.26 -5.08 115.64 122.13 1d4b s THR 111 Ca 0.61 0.68 -0.12 0.00 0.31 0.00 0.00 61.69 63.16 1d4b s THR 111 Cb -0.24 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1d4b s THR 111 CO 0.20 0.44 0.85 -0.13 -0.69 0.00 0.00 174.62 175.29 1d4b s ARG 112 N 0.02 3.81 -0.90 4.92 1.81 -1.26 -4.98 118.95 122.36 1d4b s ARG 112 Ca 0.20 0.62 -0.02 0.00 -1.72 0.00 0.00 55.73 54.81 1d4b s ARG 112 Cb -0.14 -2.29 0.31 0.00 -0.45 0.00 0.00 34.95 32.37 1d4b s ARG 112 CO 0.07 -0.15 2.03 0.43 -0.68 0.00 0.00 175.30 177.01 1d4b n SER 113 N -1.53 7.43 -0.43 0.23 7.64 -1.26 -5.00 113.62 120.70 1d4b n SER 113 Ca 0.04 -3.71 0.05 0.00 1.01 0.00 0.00 58.87 56.26 1d4b n SER 113 Cb 0.54 -1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d4b n GLY 114 N -0.18 -2.63 3.12 0.23 0.00 -1.26 -4.97 105.19 99.50 1d4b n GLY 114 Ca 0.52 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 1d4b n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1d4b n VAL 115 N -2.82 -8.48 -0.41 1.61 0.31 -1.26 -4.95 118.33 102.33 1d4b n VAL 115 Ca -0.02 0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1d4b n VAL 115 Cb 0.21 -5.92 0.00 0.00 -0.91 0.00 0.00 33.84 27.21 1d4b n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1d4b n LEU 116 N -0.57 0.80 0.05 7.52 -0.00 -1.26 -4.99 117.00 118.56 1d4b n LEU 116 Ca 0.02 -0.80 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 1d4b n LEU 116 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1d4b n LEU 116 CO 0.52 0.20 0.00 1.57 -0.00 0.00 0.00 177.39 179.68 1d4b n HIS 117 N -0.11 -2.31 -2.91 1.47 -0.00 -1.26 -5.09 115.22 105.01 1d4b n HIS 117 Ca 0.00 0.38 -0.42 0.00 -0.00 0.00 0.00 57.72 57.67 1d4b n HIS 117 Cb 0.20 1.18 -0.05 0.00 -0.00 0.00 0.00 29.99 31.32 1d4b n HIS 117 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1d4b s HIS 118 N -1.48 3.14 0.00 1.57 2.46 -1.26 -4.82 115.29 114.91 1d4b s HIS 118 Ca 0.00 0.74 0.02 0.00 0.47 0.00 0.00 55.06 56.29 1d4b s HIS 118 Cb 0.00 -3.39 0.03 0.00 -0.13 0.00 0.00 32.58 29.09 1d4b s HIS 118 CO 0.00 -0.68 0.82 -2.39 -2.47 0.00 0.00 174.74 170.01 1d4b n HIS 119 N 6.42 0.00 -2.10 3.88 1.44 -1.26 -4.83 115.22 118.78 1d4b n HIS 119 Ca 0.05 -0.07 -0.02 0.00 -2.01 0.00 0.00 57.72 55.67 1d4b n HIS 119 Cb 0.48 0.09 0.01 0.00 0.12 0.00 0.00 29.99 30.69 1d4b n HIS 119 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1d4b n HIS 120 N 0.04 -0.40 -2.84 -1.40 -0.00 -1.26 -5.07 115.22 104.29 1d4b n HIS 120 Ca -0.01 -0.45 -0.03 0.00 0.46 0.00 0.00 57.72 57.69 1d4b n HIS 120 Cb 0.66 0.64 0.01 0.00 -0.12 0.00 0.00 29.99 31.17 1d4b n HIS 120 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1d4b s HIS 121 N 0.02 -1.49 -0.75 1.57 4.02 -1.26 -5.31 115.29 112.09 1d4b s HIS 121 Ca 0.02 -0.36 0.06 0.00 1.02 0.00 0.00 55.06 55.80 1d4b s HIS 121 Cb 0.09 0.29 0.05 0.00 -1.02 0.00 0.00 32.58 31.98 1d4b s HIS 121 CO -0.02 -1.14 0.69 -2.39 1.02 0.00 0.00 174.74 172.89