#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 2.22 0.00 2.12 2.02 -1.26 -4.50 118.70 119.30 1d4b s GLU 2 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1d4b s GLU 2 Cb 0.00 -4.75 0.00 0.00 0.10 0.00 0.00 34.13 29.48 1d4b s GLU 2 CO 0.00 -3.52 0.00 0.98 0.02 0.00 0.00 175.26 172.74 1d4b n TYR 3 N 15.38 0.00 -4.23 1.61 9.36 -1.26 -5.04 117.16 132.98 1d4b n TYR 3 Ca 0.37 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.28 1d4b n TYR 3 Cb 0.49 0.08 -0.16 0.00 -0.63 0.00 0.00 39.34 39.11 1d4b n TYR 3 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1d4b s LEU 4 N -4.57 1.89 0.00 2.98 1.43 -1.26 -4.97 118.68 114.18 1d4b s LEU 4 Ca 0.00 -0.54 0.16 0.00 -1.03 0.00 0.00 54.13 52.72 1d4b s LEU 4 Cb 0.00 -1.30 0.27 0.00 0.03 0.00 0.00 46.19 45.19 1d4b s LEU 4 CO 0.00 -0.00 1.10 -0.24 0.23 0.00 0.00 176.35 177.44 1d4b n SER 5 N 4.51 0.26 -3.35 2.29 2.88 -1.26 -4.98 113.62 113.97 1d4b n SER 5 Ca -0.19 -1.99 -0.26 0.00 -1.33 0.00 0.00 58.87 55.10 1d4b n SER 5 Cb 0.50 -0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.31 3.36 -0.07 -1.46 0.00 -1.26 -4.92 120.51 116.47 1d4b n ALA 6 Ca -0.06 -4.17 -0.09 0.00 0.00 0.00 0.00 53.44 49.12 1d4b n ALA 6 Cb 0.98 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 1d4b n ALA 6 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1d4b h LEU 7 N 4.22 0.00-10.18 0.00 3.38 -2.05 -3.47 115.31 107.21 1d4b h LEU 7 Ca 0.15 -0.41 -0.48 0.00 0.09 0.00 0.00 57.88 57.22 1d4b h LEU 7 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1d4b h LEU 7 CO 0.67 0.85 -0.29 0.54 0.09 0.00 0.00 178.44 180.30 1d4b s ASN 8 N -6.00 6.33 -0.66 -0.43 4.22 -1.26 -5.01 114.94 112.12 1d4b s ASN 8 Ca -0.13 0.33 -0.27 0.00 -2.14 0.00 0.00 52.86 50.66 1d4b s ASN 8 Cb 0.00 -1.98 -0.00 0.00 1.28 0.00 0.00 41.25 40.55 1d4b s ASN 8 CO 0.35 -0.17 1.65 -2.16 -2.04 0.00 0.00 177.10 174.73 1d4b s PRO 9 N -3.98 2.83 -0.22 3.55 0.04 -1.26 -4.79 135.00 131.17 1d4b s PRO 9 Ca 0.38 0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.70 1d4b s PRO 9 Cb -0.10 -4.32 -0.20 0.00 0.04 0.00 0.00 34.50 29.93 1d4b s PRO 9 CO 0.32 -2.53 -0.05 0.43 0.04 0.00 0.00 177.00 175.22 1d4b n SER 10 N 11.53 2.02 -2.27 6.66 7.64 -1.26 -4.37 113.62 133.58 1d4b n SER 10 Ca 0.14 -0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.70 1d4b n SER 10 Cb 0.51 -0.56 0.12 0.00 -1.01 0.00 0.00 64.21 63.27 1d4b n SER 10 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1d4b n ASP 11 N -3.36 6.14 -2.95 6.43 5.75 -1.26 -4.55 116.55 122.75 1d4b n ASP 11 Ca -0.42 -3.69 -0.14 0.00 -0.01 0.00 0.00 54.79 50.53 1d4b n ASP 11 Cb 1.00 -0.92 0.02 0.00 -1.03 0.00 0.00 41.12 40.19 1d4b n ASP 11 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1d4b n LEU 12 N -0.96 -1.10 -4.51 -2.12 4.77 -1.26 -5.06 117.00 106.75 1d4b n LEU 12 Ca 0.60 -4.18 -0.43 0.00 -0.03 0.00 0.00 56.01 51.98 1d4b n LEU 12 Cb 1.04 0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 42.92 1d4b n LEU 12 CO 0.71 2.12 1.37 -0.22 -1.33 0.00 0.00 177.39 180.04 1d4b s LEU 13 N -1.79 4.27 0.07 2.23 2.96 -1.26 -4.96 118.68 120.20 1d4b s LEU 13 Ca 0.32 -1.97 0.04 0.00 -0.22 0.00 0.00 54.13 52.30 1d4b s LEU 13 Cb 0.27 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1d4b s LEU 13 CO -0.11 -1.22 -0.13 -0.60 -1.32 0.00 0.00 176.35 172.97 1d4b s ARG 14 N 3.68 0.78 -0.29 1.98 3.52 -1.26 -5.14 118.95 122.21 1d4b s ARG 14 Ca 0.42 -0.96 -0.13 0.00 -0.13 0.00 0.00 55.73 54.93 1d4b s ARG 14 Cb -0.01 -0.70 0.13 0.00 -1.56 0.00 0.00 34.95 32.80 1d4b s ARG 14 CO -0.06 0.15 0.79 -1.54 -0.81 0.00 0.00 175.30 173.83 1d4b s SER 15 N -1.82 -0.87 0.25 -2.12 1.04 -1.26 -5.14 113.70 103.78 1d4b s SER 15 Ca -0.02 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 57.36 1d4b s SER 15 Cb -0.09 1.81 -0.10 0.00 0.10 0.00 0.00 66.02 67.74 1d4b s SER 15 CO 0.02 -0.18 1.47 -0.69 0.98 0.00 0.00 173.24 174.83 1d4b s VAL 16 N 2.33 2.57 -0.14 5.02 1.01 -1.26 -5.01 120.40 124.93 1d4b s VAL 16 Ca -0.06 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1d4b s VAL 16 Cb -0.08 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1d4b s VAL 16 CO -0.18 0.07 0.36 -0.55 0.00 0.00 0.00 175.10 174.80 1d4b s SER 17 N 0.43 -0.38 0.23 3.32 0.15 -1.26 -5.17 113.70 111.02 1d4b s SER 17 Ca 0.60 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1d4b s SER 17 Cb -0.43 0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1d4b s SER 17 CO 0.43 -0.13 0.17 0.20 1.20 0.00 0.00 173.24 175.12 1d4b s ASN 18 N 0.31 0.46 0.00 5.45 -0.87 -1.26 -5.10 114.94 113.93 1d4b s ASN 18 Ca -0.01 -1.45 0.00 0.00 -1.57 0.00 0.00 52.86 49.83 1d4b s ASN 18 Cb -0.03 0.43 0.00 0.00 -0.02 0.00 0.00 41.25 41.62 1d4b s ASN 18 CO -0.01 -0.90 0.00 0.00 -2.57 0.00 0.00 177.10 173.62 1d4b n ILE 19 N -0.35 0.00 -0.98 0.60 3.06 -1.26 -5.17 119.36 115.26 1d4b n ILE 19 Ca 0.03 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.22 1d4b n ILE 19 Cb 0.65 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.87 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 -0.42 -3.68 9.51 3.41 -1.26 -5.10 113.62 116.07 1d4b n SER 20 Ca 0.00 -0.93 -0.05 0.00 -0.26 0.00 0.00 58.87 57.63 1d4b n SER 20 Cb 0.00 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 1d4b n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1d4b s SER 21 N -2.01 -0.23 0.00 4.04 0.15 -1.26 -5.19 113.70 109.20 1d4b s SER 21 Ca 0.15 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1d4b s SER 21 Cb -0.01 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1d4b s SER 21 CO 0.11 -0.83 0.00 -0.62 1.20 0.00 0.00 173.24 173.09 1d4b n GLU 22 N -0.41 0.17 -3.32 5.44 1.02 -1.26 -5.14 120.64 117.14 1d4b n GLU 22 Ca -0.07 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.71 1d4b n GLU 22 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.97 1d4b n GLU 22 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1d4b s PHE 23 N -1.54 3.65 1.05 -0.32 2.19 -1.26 -5.07 117.98 116.68 1d4b s PHE 23 Ca 0.00 1.14 -0.13 0.00 0.33 0.00 0.00 56.93 58.26 1d4b s PHE 23 Cb 0.00 -2.42 0.22 0.00 -1.31 0.00 0.00 43.02 39.51 1d4b s PHE 23 CO 0.00 0.45 1.08 0.20 1.83 0.00 0.00 175.22 178.79 1d4b s GLY 24 N -1.58 1.56 0.00 13.12 0.00 -1.26 -5.04 107.32 114.11 1d4b s GLY 24 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1d4b s GLY 24 CO 0.19 0.25 0.00 0.54 0.00 0.00 0.00 173.10 174.08 1d4b n ARG 25 N -4.36 0.00 0.00 2.90 3.00 -1.26 -5.13 116.66 111.81 1d4b n ARG 25 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 1d4b n ARG 25 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 33.02 1d4b n ARG 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1d4b n ARG 26 N -1.23 0.00 0.00 5.56 0.63 -1.26 -5.01 116.66 115.35 1d4b n ARG 26 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1d4b n ARG 26 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1d4b n ARG 26 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1d4b n VAL 27 N -0.92 0.00 -3.27 5.15 3.14 -1.26 -5.01 118.33 116.15 1d4b n VAL 27 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1d4b n VAL 27 Cb 0.00 0.33 -0.07 0.00 -1.06 0.00 0.00 33.84 33.04 1d4b n VAL 27 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 1d4b s TRP 28 N -1.45 3.33 -0.55 1.45 0.52 -1.26 -5.03 118.94 115.95 1d4b s TRP 28 Ca 0.00 0.68 -0.17 0.00 0.02 0.00 0.00 56.10 56.63 1d4b s TRP 28 Cb 0.00 -2.66 0.12 0.00 -1.15 0.00 0.00 33.47 29.79 1d4b s TRP 28 CO 0.00 -0.15 0.55 0.95 0.02 0.00 0.00 176.95 178.32 1d4b s THR 29 N 1.82 5.12 0.29 2.01 -4.23 -1.26 -4.80 115.64 114.60 1d4b s THR 29 Ca 0.22 -1.38 -0.19 0.00 -1.18 0.00 0.00 61.69 59.16 1d4b s THR 29 Cb -0.15 -4.38 0.06 0.00 1.34 0.00 0.00 72.50 69.37 1d4b s THR 29 CO 0.09 -0.93 0.90 -0.55 -0.54 0.00 0.00 174.62 173.59 1d4b s SER 30 N 3.61 -0.00 0.47 3.99 0.15 -1.26 -5.18 113.70 115.46 1d4b s SER 30 Ca 0.05 -0.92 0.05 0.00 0.70 0.00 0.00 55.95 55.83 1d4b s SER 30 Cb -0.29 0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1d4b s SER 30 CO 0.04 -1.37 0.09 0.00 1.20 0.00 0.00 173.24 173.20 1d4b s ALA 31 N -2.30 3.79 0.36 5.45 0.00 -1.26 -5.07 121.76 122.73 1d4b s ALA 31 Ca 0.18 -1.37 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 1d4b s ALA 31 Cb -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 1d4b s ALA 31 CO 0.08 -0.13 1.12 -1.25 0.00 0.00 0.00 175.76 175.59 1d4b s PRO 32 N -3.89 4.26 0.74 0.00 0.04 -1.26 -5.02 135.00 129.88 1d4b s PRO 32 Ca 0.25 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1d4b s PRO 32 Cb 0.04 -2.80 0.04 0.00 0.04 0.00 0.00 34.50 31.82 1d4b s PRO 32 CO 0.13 -0.12 1.08 -1.25 0.04 0.00 0.00 177.00 176.88 1d4b s PRO 33 N -2.09 2.54 1.08 0.56 0.04 -1.26 -5.04 135.00 130.83 1d4b s PRO 33 Ca 0.53 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 1d4b s PRO 33 Cb -0.29 -1.95 0.23 0.00 0.04 0.00 0.00 34.50 32.54 1d4b s PRO 33 CO 0.37 -1.38 1.15 -1.25 0.04 0.00 0.00 177.00 175.93 1d4b s PRO 34 N -5.02 -0.25 0.14 0.56 0.04 -1.26 -4.92 135.00 124.29 1d4b s PRO 34 Ca 0.60 0.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.33 1d4b s PRO 34 Cb -0.15 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1d4b s PRO 34 CO 0.55 -3.08 1.82 0.94 0.04 0.00 0.00 177.00 177.27 1d4b n GLN 35 N -4.33 2.80 -4.66 4.56 7.27 -1.26 -4.91 117.38 116.86 1d4b n GLN 35 Ca 0.11 1.02 -0.23 0.00 0.07 0.00 0.00 57.00 57.97 1d4b n GLN 35 Cb 0.59 -2.90 -0.15 0.00 2.41 0.00 0.00 30.24 30.18 1d4b n GLN 35 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1d4b s ARG 36 N 2.41 1.23 -0.77 3.69 6.06 -1.25 -4.97 118.95 125.35 1d4b s ARG 36 Ca 0.80 -0.50 -0.25 0.00 -2.50 0.00 0.00 55.73 53.28 1d4b s ARG 36 Cb -0.48 -1.16 -0.03 0.00 0.06 0.00 0.00 34.95 33.34 1d4b s ARG 36 CO 0.36 0.28 1.87 -1.25 -2.50 0.00 0.00 175.30 174.06 1d4b s PRO 37 N -0.22 2.64 -0.28 5.12 0.04 -1.26 -2.54 135.00 138.50 1d4b s PRO 37 Ca 0.03 0.09 -0.26 0.00 0.04 0.00 0.00 61.00 60.91 1d4b s PRO 37 Cb -0.07 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1d4b s PRO 37 CO -0.00 -3.02 0.89 -0.06 0.04 0.00 0.00 177.00 174.85 1d4b s PHE 38 N 9.36 3.25 -0.43 0.56 0.08 -0.93 -4.91 117.98 124.95 1d4b s PHE 38 Ca 0.67 1.09 -0.22 0.00 0.12 0.00 0.00 56.93 58.59 1d4b s PHE 38 Cb -0.09 -3.25 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 1d4b s PHE 38 CO 0.09 -0.53 0.74 0.50 -0.10 0.00 0.00 175.22 175.92 1d4b s ARG 39 N 3.08 3.46 0.08 0.44 3.52 -1.26 -3.14 118.95 125.13 1d4b s ARG 39 Ca 0.37 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1d4b s ARG 39 Cb -0.14 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 1d4b s ARG 39 CO 0.10 -1.02 -0.00 0.08 -0.81 0.00 0.00 175.30 173.65 1d4b s VAL 40 N 3.11 4.01 0.05 7.11 1.01 0.97 -4.32 120.40 132.34 1d4b s VAL 40 Ca 0.28 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1d4b s VAL 40 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1d4b s VAL 40 CO 0.20 0.15 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 1d4b s ASP 42 N -2.92 3.26 0.00 0.00 -1.08 0.11 -4.43 116.67 111.61 1d4b s ASP 42 Ca 0.07 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 1d4b s ASP 42 Cb 0.08 -0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.13 1d4b s ASP 42 CO -0.10 -2.65 0.12 1.57 0.52 0.00 0.00 175.17 174.64 1d4b n HIS 43 N -3.72 0.00 -0.00 -5.34 -0.00 -1.26 -4.43 115.22 100.46 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 30.58 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 -0.18 1.57 3.00 -1.26 -4.94 118.16 116.08 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 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.31 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 -2.41 0.00 0.04 1.64 0.63 -1.26 -4.97 116.66 110.34 1d4b n ARG 45 Ca -0.00 -0.21 -0.11 0.00 -0.92 0.00 0.00 57.85 56.60 1d4b n ARG 45 Cb 0.01 -0.16 -0.04 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 3.94 0.38 -3.99 5.15 1.35 -1.92 -3.44 112.91 114.38 1d4b h THR 46 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 1d4b h THR 46 Cb 1.04 0.38 -0.18 0.00 -1.73 0.00 0.00 68.15 67.66 1d4b h THR 46 CO 0.00 0.00 -0.70 -0.63 -0.25 0.00 0.00 175.52 173.94 1d4b s ILE 47 N -6.05 0.42 -0.02 6.82 1.01 -1.26 -5.03 121.20 117.09 1d4b s ILE 47 Ca -0.15 -1.46 -0.00 0.00 0.00 0.00 0.00 60.65 59.04 1d4b s ILE 47 Cb 0.10 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.54 1d4b s ILE 47 CO 0.66 -0.69 0.04 -0.60 0.00 0.00 0.00 174.94 174.35 1d4b s ARG 48 N -2.73 -0.04 -0.03 2.79 3.52 -1.26 -0.71 118.95 120.49 1d4b s ARG 48 Ca -0.01 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.83 1d4b s ARG 48 Cb -0.02 -0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.11 1d4b s ARG 48 CO -0.04 -0.19 -0.08 0.21 -0.81 0.00 0.00 175.30 174.39 1d4b s LYS 49 N 1.19 0.93 -0.31 5.12 2.47 -0.20 -5.01 119.74 123.93 1d4b s LYS 49 Ca -0.08 -0.28 -0.03 0.00 -1.56 0.00 0.00 55.97 54.03 1d4b s LYS 49 Cb -0.13 -0.87 0.11 0.00 -1.46 0.00 0.00 37.83 35.48 1d4b s LYS 49 CO -0.03 0.09 0.16 0.20 0.16 0.00 0.00 175.35 175.93 1d4b s GLY 50 N 0.25 0.64 0.24 5.54 0.00 -1.26 -0.02 107.32 112.71 1d4b s GLY 50 Ca -0.04 -1.37 0.05 0.00 0.00 0.00 0.00 44.72 43.35 1d4b s GLY 50 CO 0.00 2.06 -0.02 1.08 0.00 0.00 0.00 173.10 176.21 1d4b s LEU 51 N 1.74 2.30 -0.01 0.66 1.43 -1.19 -4.94 118.68 118.67 1d4b s LEU 51 Ca 0.12 -1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 51.72 1d4b s LEU 51 Cb -0.18 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1d4b s LEU 51 CO -0.24 -0.45 0.99 0.42 0.23 0.00 0.00 176.35 177.30 1d4b s THR 52 N -3.28 4.83 0.00 5.49 -4.23 -1.26 -2.19 115.64 115.00 1d4b s THR 52 Ca 0.28 2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 62.83 1d4b s THR 52 Cb 0.05 -4.31 -0.01 0.00 1.34 0.00 0.00 72.50 69.58 1d4b s THR 52 CO 0.09 0.14 0.00 0.00 -0.54 0.00 0.00 174.62 174.31 1d4b s ALA 53 N 1.16 0.01 -0.32 3.99 0.00 -1.05 -4.92 121.76 120.62 1d4b s ALA 53 Ca 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 1d4b s ALA 53 Cb -0.21 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.05 1d4b s ALA 53 CO 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 175.76 176.07 1d4b s ALA 54 N -0.48 1.63 -0.23 0.00 0.00 -1.26 -3.77 121.76 117.64 1d4b s ALA 54 Ca -0.05 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 49.94 1d4b s ALA 54 Cb -0.03 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.49 1d4b s ALA 54 CO -0.00 -1.69 0.61 0.99 0.00 0.00 0.00 175.76 175.67 1d4b s THR 55 N 1.53 0.00 0.00 0.00 2.01 -1.26 -5.01 115.64 112.91 1d4b s THR 55 Ca 0.10 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1d4b s THR 55 Cb -0.18 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1d4b s THR 55 CO -0.23 -0.00 0.00 -1.14 -0.69 0.00 0.00 174.62 172.56 1d4b n ARG 56 N 2.73 0.00 -0.08 4.92 0.63 -1.26 -4.37 116.66 119.24 1d4b n ARG 56 Ca -0.14 0.17 -0.22 0.00 -0.92 0.00 0.00 57.85 56.74 1d4b n ARG 56 Cb 0.56 -0.59 -0.12 0.00 0.45 0.00 0.00 32.46 32.76 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 -1.90 0.62 0.14 -0.14 7.27 -1.26 -4.04 117.38 118.07 1d4b n GLN 57 Ca 0.00 0.49 0.10 0.00 0.07 0.00 0.00 57.00 57.66 1d4b n GLN 57 Cb 0.00 -1.73 0.50 0.00 2.41 0.00 0.00 30.24 31.42 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 -4.19 0.13 -0.12 3.69 2.13 -1.26 -2.45 120.64 118.57 1d4b n GLU 58 Ca -0.32 0.59 0.26 0.00 0.66 0.00 0.00 57.16 58.34 1d4b n GLU 58 Cb 0.78 -1.89 0.71 0.00 0.27 0.00 0.00 31.44 31.31 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 0.01 0.10 4.31 6.46 -1.76 -1.91 115.31 122.52 1d4b h LEU 59 Ca 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1d4b h LEU 59 Cb 0.06 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 1d4b h LEU 59 CO 0.00 0.01 -0.30 0.25 -0.62 0.00 0.00 178.44 177.77 1d4b h LEU 60 N 0.01 -0.88 -2.18 2.25 7.12 -1.76 0.10 115.31 119.98 1d4b h LEU 60 Ca 0.37 0.10 0.05 0.00 0.13 0.00 0.00 57.88 58.53 1d4b h LEU 60 Cb 1.47 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 41.93 1d4b h LEU 60 CO -0.01 -0.39 0.28 0.00 -0.13 0.00 0.00 178.44 178.19 1d4b h ALA 61 N 0.18 1.67 0.00 1.25 0.00 -1.60 0.17 119.26 120.93 1d4b h ALA 61 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1d4b h ALA 61 Cb 0.55 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1d4b h ALA 61 CO -0.19 -0.36 -0.15 -0.22 0.00 0.00 0.00 179.25 178.32 1d4b h LYS 62 N 0.00 0.00 0.08 0.00 3.11 -0.98 -2.15 116.57 116.63 1d4b h LYS 62 Ca 0.08 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.63 1d4b h LYS 62 Cb 0.63 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1d4b h LYS 62 CO -0.00 0.15 -1.45 0.00 -2.81 0.00 0.00 179.45 175.34 1d4b h ALA 63 N 1.85 0.35 -0.55 5.00 0.00 -0.97 -3.25 119.26 121.69 1d4b h ALA 63 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1d4b h ALA 63 Cb 0.32 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1d4b h ALA 63 CO 0.02 1.21 0.00 1.28 0.00 0.00 0.00 179.25 181.76 1d4b n LEU 64 N -3.38 0.46 -0.33 0.00 7.99 -1.04 -3.87 117.00 116.83 1d4b n LEU 64 Ca -0.13 0.49 0.17 0.00 -0.01 0.00 0.00 56.01 56.52 1d4b n LEU 64 Cb 1.03 -0.41 0.37 0.00 -0.11 0.00 0.00 43.42 44.30 1d4b n LEU 64 CO 0.49 -0.41 1.12 -0.08 -1.51 0.00 0.00 177.39 177.00 1d4b h GLU 65 N 0.00 0.47 -0.68 3.23 4.22 -1.31 0.89 114.58 121.39 1d4b h GLU 65 Ca 0.00 -0.03 0.13 0.00 0.08 0.00 0.00 59.36 59.54 1d4b h GLU 65 Cb 0.00 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.05 1d4b h GLU 65 CO 0.00 0.31 0.20 0.00 -2.18 0.00 0.00 179.01 177.34 1d4b h THR 66 N 0.48 0.62 0.00 0.32 1.03 -1.72 -3.30 112.91 110.34 1d4b h THR 66 Ca 0.63 -0.11 -0.36 0.00 -0.01 0.00 0.00 66.41 66.56 1d4b h THR 66 Cb 1.23 0.26 -0.05 0.00 -1.07 0.00 0.00 68.15 68.52 1d4b h THR 66 CO -0.51 0.06 -2.19 0.18 -0.01 0.00 0.00 175.52 173.04 1d4b n LEU 67 N -5.09 1.84 -3.74 0.00 4.77 -0.41 -5.01 117.00 109.35 1d4b n LEU 67 Ca 0.12 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1d4b n LEU 67 Cb 0.38 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.59 1d4b n LEU 67 CO 0.16 0.40 -0.11 -0.76 -1.33 0.00 0.00 177.39 175.75 1d4b s LEU 68 N -7.49 0.49 -0.29 2.23 1.43 0.29 -5.11 118.68 110.23 1d4b s LEU 68 Ca -0.35 0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 1d4b s LEU 68 Cb 0.12 0.79 0.00 0.00 0.03 0.00 0.00 46.19 47.14 1d4b s LEU 68 CO 0.45 -0.15 0.85 -1.48 0.23 0.00 0.00 176.35 176.24 1d4b s LEU 69 N 1.08 4.06 0.02 1.79 0.05 -1.25 -3.03 118.68 121.40 1d4b s LEU 69 Ca -0.08 0.83 -0.00 0.00 0.05 0.00 0.00 54.13 54.93 1d4b s LEU 69 Cb -0.09 -3.19 -0.02 0.00 -2.05 0.00 0.00 46.19 40.84 1d4b s LEU 69 CO -0.07 -0.63 -0.02 0.21 -0.55 0.00 0.00 176.35 175.28 1d4b s ASN 70 N 1.54 0.23 0.06 1.48 3.04 -1.26 -4.99 114.94 115.05 1d4b s ASN 70 Ca 0.35 -0.49 -0.05 0.00 0.04 0.00 0.00 52.86 52.71 1d4b s ASN 70 Cb -0.14 0.10 -0.29 0.00 -1.54 0.00 0.00 41.25 39.38 1d4b s ASN 70 CO 0.11 -0.30 1.09 1.23 -3.04 0.00 0.00 177.10 176.19 1d4b h GLY 71 N 4.63 0.34 -6.54 1.21 0.00 -2.04 -3.45 103.07 97.22 1d4b h GLY 71 Ca -0.32 -0.87 -0.41 0.00 0.00 0.00 0.00 47.33 45.73 1d4b h GLY 71 CO 0.41 0.76 -0.77 0.14 0.00 0.00 0.00 176.54 177.08 1d4b s VAL 72 N -2.65 0.43 -0.05 4.60 1.01 -1.26 -5.14 120.40 117.34 1d4b s VAL 72 Ca -0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1d4b s VAL 72 Cb 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1d4b s VAL 72 CO 0.89 0.23 0.17 -0.22 0.00 0.00 0.00 175.10 176.17 1d4b s LEU 73 N 1.32 1.36 -0.19 3.92 1.98 -1.26 -5.07 118.68 120.73 1d4b s LEU 73 Ca -0.05 0.21 -0.26 0.00 -2.89 0.00 0.00 54.13 51.14 1d4b s LEU 73 Cb -0.13 0.66 -0.01 0.00 0.66 0.00 0.00 46.19 47.36 1d4b s LEU 73 CO -0.02 -0.15 0.86 0.42 -1.89 0.00 0.00 176.35 175.57 1d4b s THR 74 N -0.33 4.84 -0.11 3.68 -4.23 -1.23 -5.02 115.64 113.25 1d4b s THR 74 Ca -0.04 1.68 -0.12 0.00 -1.18 0.00 0.00 61.69 62.03 1d4b s THR 74 Cb -0.03 -4.16 -0.05 0.00 1.34 0.00 0.00 72.50 69.60 1d4b s THR 74 CO 0.01 -0.02 0.28 -0.76 -0.54 0.00 0.00 174.62 173.59 1d4b s LEU 75 N 2.41 4.35 0.19 4.79 1.02 -1.17 -3.81 118.68 126.46 1d4b s LEU 75 Ca 0.39 0.62 -0.06 0.00 0.02 0.00 0.00 54.13 55.09 1d4b s LEU 75 Cb -0.16 -2.35 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 1d4b s LEU 75 CO 0.11 0.25 0.25 0.68 0.02 0.00 0.00 176.35 177.66 1d4b s VAL 76 N -0.37 0.03 0.09 -1.59 -7.23 -1.25 -0.38 120.40 109.70 1d4b s VAL 76 Ca 0.18 -1.66 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1d4b s VAL 76 Cb -0.14 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1d4b s VAL 76 CO 0.06 -0.15 -0.14 -1.48 -0.31 0.00 0.00 175.10 173.09 1d4b s LEU 77 N -3.05 2.32 -0.01 1.32 2.34 -1.14 -3.88 118.68 116.57 1d4b s LEU 77 Ca 0.26 -0.68 0.21 0.00 0.06 0.00 0.00 54.13 53.98 1d4b s LEU 77 Cb 0.04 -0.51 -0.27 0.00 -0.56 0.00 0.00 46.19 44.89 1d4b s LEU 77 CO 0.06 -0.11 0.67 1.21 -1.06 0.00 0.00 176.35 177.13 1d4b n GLU 78 N 1.04 0.45 0.14 1.48 2.13 -1.26 -3.38 120.64 121.24 1d4b n GLU 78 Ca -0.19 -0.09 -0.10 0.00 0.66 0.00 0.00 57.16 57.44 1d4b n GLU 78 Cb 0.55 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.73 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 -0.50 0.00 5.31 4.81 -1.98 -3.32 114.58 118.90 1d4b h GLU 79 Ca 0.00 0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.04 1d4b h GLU 79 Cb 0.71 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1d4b h GLU 79 CO 0.00 -0.33 -2.13 -3.47 -0.73 0.00 0.00 179.01 172.35 1d4b n ASP 80 N -4.03 0.12 -0.74 1.04 2.03 -1.26 -5.03 116.55 108.68 1d4b n ASP 80 Ca -0.06 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1d4b n ASP 80 Cb 0.24 1.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.84 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 1.54 0.56 3.16 0.27 0.00 -1.22 -5.12 105.19 104.38 1d4b n GLY 81 Ca -0.20 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.49 0.10 0.43 2.61 2.01 -1.23 -5.02 115.64 112.05 1d4b s THR 82 Ca 0.00 -1.88 -0.03 0.00 0.31 0.00 0.00 61.69 60.09 1d4b s THR 82 Cb 0.00 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1d4b s THR 82 CO 0.00 -0.46 0.69 0.00 -0.69 0.00 0.00 174.62 174.16 1d4b s ALA 83 N -4.04 3.52 -0.09 7.40 0.00 -1.26 -2.87 121.76 124.42 1d4b s ALA 83 Ca 0.24 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1d4b s ALA 83 Cb 0.07 -2.40 0.05 0.00 0.00 0.00 0.00 23.12 20.84 1d4b s ALA 83 CO 0.02 -0.23 0.20 0.08 0.00 0.00 0.00 175.76 175.83 1d4b s VAL 84 N -2.58 -0.13 0.00 0.00 1.01 0.49 -4.92 120.40 114.26 1d4b s VAL 84 Ca 0.45 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1d4b s VAL 84 Cb -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1d4b s VAL 84 CO 0.41 0.09 0.73 -0.90 0.00 0.00 0.00 175.10 175.43 1d4b n ASP 85 N 4.55 0.00 -3.53 3.32 5.75 -1.26 -3.05 116.55 122.32 1d4b n ASP 85 Ca -0.20 -1.53 -0.14 0.00 -0.01 0.00 0.00 54.79 52.91 1d4b n ASP 85 Cb 0.52 -0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1d4b s SER 86 N -0.53 0.80 0.39 -1.12 0.15 -1.26 -5.00 113.70 107.12 1d4b s SER 86 Ca 0.00 -1.45 0.24 0.00 0.70 0.00 0.00 55.95 55.44 1d4b s SER 86 Cb 0.00 0.58 1.29 0.00 -1.71 0.00 0.00 66.02 66.18 1d4b s SER 86 CO 0.00 -1.15 1.71 -0.08 1.20 0.00 0.00 173.24 174.91 1d4b h GLU 87 N 2.22 0.00 0.00 5.44 4.81 -2.03 -1.87 114.58 123.15 1d4b h GLU 87 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1d4b h GLU 87 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1d4b h GLU 87 CO 0.40 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.21 1d4b n ASP 88 N -2.37 0.00 0.00 1.04 2.03 -1.26 -3.92 116.55 112.08 1d4b n ASP 88 Ca -0.02 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1d4b n ASP 88 Cb 0.11 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1d4b n ASP 88 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1d4b n PHE 89 N -1.47 0.00 0.33 -0.67 7.35 -0.70 0.76 117.46 123.06 1d4b n PHE 89 Ca 0.01 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.91 1d4b n PHE 89 Cb 0.04 -0.29 1.15 0.00 0.35 0.00 0.00 39.48 40.73 1d4b n PHE 89 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1d4b h PHE 90 N 0.00 0.00 0.00 -5.13 0.04 -1.88 -0.38 116.94 109.59 1d4b h PHE 90 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d4b h PHE 90 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1d4b h PHE 90 CO -0.55 0.00 -0.07 0.37 -0.60 0.00 0.00 178.31 177.47 1d4b h GLN 91 N 0.00 0.00 0.00 1.51 5.75 -0.33 -3.21 115.11 118.83 1d4b h GLN 91 Ca -0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1d4b h GLN 91 Cb 0.01 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1d4b h GLN 91 CO 0.00 0.00 -0.33 1.25 -2.65 0.00 0.00 178.83 177.10 1d4b h LEU 92 N 0.00 0.00 -9.05 -2.39 7.12 0.21 -3.46 115.31 107.75 1d4b h LEU 92 Ca 0.00 0.00 -0.59 0.00 0.13 0.00 0.00 57.88 57.42 1d4b h LEU 92 Cb 0.90 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 40.87 1d4b h LEU 92 CO 0.00 0.17 -0.78 -0.76 -0.13 0.00 0.00 178.44 176.94 1d4b s LEU 93 N -6.16 2.50 1.27 2.25 1.02 -1.21 -5.05 118.68 113.30 1d4b s LEU 93 Ca 0.05 -0.94 -0.18 0.00 0.02 0.00 0.00 54.13 53.07 1d4b s LEU 93 Cb 0.06 -1.03 0.31 0.00 0.02 0.00 0.00 46.19 45.55 1d4b s LEU 93 CO 0.71 0.03 1.02 -0.70 0.02 0.00 0.00 176.35 177.43 1d4b s GLU 94 N -3.10 -1.71 0.03 1.70 2.12 -1.26 -4.82 118.70 111.65 1d4b s GLU 94 Ca 0.23 0.27 -0.30 0.00 0.36 0.00 0.00 54.97 55.53 1d4b s GLU 94 Cb -0.06 -1.51 -0.08 0.00 0.26 0.00 0.00 34.13 32.74 1d4b s GLU 94 CO 0.11 -4.11 1.92 0.34 -0.54 0.00 0.00 175.26 172.98 1d4b s ASP 95 N -3.23 6.48 0.14 -1.70 2.15 -1.26 -4.90 116.67 114.34 1d4b s ASP 95 Ca 0.69 2.61 -0.24 0.00 0.43 0.00 0.00 52.55 56.04 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 -1.03 1.07 1.51 -0.17 0.00 0.00 175.17 177.13 1d4b s ASP 96 N 4.23 -0.05 -0.32 -0.34 1.47 -1.26 -5.12 116.67 115.27 1d4b s ASP 96 Ca 0.86 -0.51 0.04 0.00 1.18 0.00 0.00 52.55 54.12 1d4b s ASP 96 Cb -0.41 0.43 0.09 0.00 -0.34 0.00 0.00 42.92 42.69 1d4b s ASP 96 CO 0.40 -0.84 0.02 -0.89 0.68 0.00 0.00 175.17 174.54 1d4b s THR 97 N -2.47 2.21 -0.04 2.11 2.01 -1.26 -5.07 115.64 113.13 1d4b s THR 97 Ca 0.19 -2.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.01 1d4b s THR 97 Cb -0.01 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1d4b s THR 97 CO 0.03 -0.48 0.08 0.00 -0.69 0.00 0.00 174.62 173.56 1d4b s LEU 99 N 0.68 0.95 -0.04 0.00 2.96 -1.26 -4.99 118.68 116.98 1d4b s LEU 99 Ca -0.05 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1d4b s LEU 99 Cb -0.07 0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.70 1d4b s LEU 99 CO -0.03 -0.14 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.46 1d4b s MET 100 N 1.12 1.04 -0.13 1.98 1.75 -1.25 -4.27 119.30 119.53 1d4b s MET 100 Ca -0.09 -0.28 -0.04 0.00 -1.25 0.00 0.00 55.69 54.03 1d4b s MET 100 Cb -0.13 -0.96 0.06 0.00 2.84 0.00 0.00 34.83 36.64 1d4b s MET 100 CO -0.04 0.06 0.11 0.08 -0.65 0.00 0.00 175.02 174.58 1d4b s VAL 101 N 0.41 -0.14 0.30 10.11 1.01 -1.26 -3.76 120.40 127.06 1d4b s VAL 101 Ca -0.07 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1d4b s VAL 101 Cb -0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1d4b s VAL 101 CO 0.01 -0.12 0.40 -1.48 0.00 0.00 0.00 175.10 173.91 1d4b s LEU 102 N 2.19 0.95 0.94 3.92 2.34 -1.25 -4.87 118.68 122.90 1d4b s LEU 102 Ca 0.03 -1.37 -0.15 0.00 0.06 0.00 0.00 54.13 52.70 1d4b s LEU 102 Cb -0.15 1.26 0.18 0.00 -0.56 0.00 0.00 46.19 46.92 1d4b s LEU 102 CO -0.08 -1.16 1.28 -1.58 -1.06 0.00 0.00 176.35 173.75 1d4b s GLN 103 N -3.49 0.83 1.03 1.48 0.74 -1.26 -3.56 119.66 115.43 1d4b s GLN 103 Ca 0.31 -0.26 -0.21 0.00 0.05 0.00 0.00 55.36 55.25 1d4b s GLN 103 Cb 0.01 -1.85 -0.07 0.00 1.10 0.00 0.00 33.01 32.19 1d4b s GLN 103 CO 0.17 -2.31 -0.72 -1.13 -0.55 0.00 0.00 175.29 170.75 1d4b n SER 104 N -3.73 -3.35 -0.73 6.67 3.41 -1.26 -4.65 113.62 109.99 1d4b n SER 104 Ca 0.13 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1d4b n SER 104 Cb 0.60 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.19 3.66 5.00 0.00 -1.26 -5.02 105.19 110.60 1d4b n GLY 105 Ca -0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.97 4.29 -0.01 1.61 0.74 -1.26 -5.03 119.66 118.03 1d4b s GLN 106 Ca 0.00 1.26 -0.00 0.00 0.05 0.00 0.00 55.36 56.67 1d4b s GLN 106 Cb 0.00 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.50 1d4b s GLN 106 CO 0.00 -0.51 0.01 -1.12 -0.55 0.00 0.00 175.29 173.12 1d4b s SER 107 N 1.19 0.00 0.17 6.67 0.01 -1.26 -5.16 113.70 115.33 1d4b s SER 107 Ca 0.43 0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.78 1d4b s SER 107 Cb -0.16 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1d4b s SER 107 CO 0.09 -0.02 -0.02 0.26 0.41 0.00 0.00 173.24 173.96 1d4b s TRP 108 N 0.16 2.81 -0.18 2.43 0.51 -1.26 -5.11 118.94 118.30 1d4b s TRP 108 Ca -0.01 -0.15 -0.13 0.00 -2.12 0.00 0.00 56.10 53.69 1d4b s TRP 108 Cb -0.02 -1.37 -0.05 0.00 -0.81 0.00 0.00 33.47 31.22 1d4b s TRP 108 CO -0.00 0.51 0.24 0.45 -0.51 0.00 0.00 176.95 177.64 1d4b s SER 109 N -2.87 6.36 0.56 2.95 0.15 -1.26 -5.07 113.70 114.51 1d4b s SER 109 Ca 0.27 0.41 -0.18 0.00 0.70 0.00 0.00 55.95 57.15 1d4b s SER 109 Cb -0.09 -2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1d4b s SER 109 CO 0.18 0.11 1.06 -2.16 1.20 0.00 0.00 173.24 173.63 1d4b s PRO 110 N 0.50 3.44 0.14 5.44 0.04 -1.26 -5.01 135.00 138.29 1d4b s PRO 110 Ca 0.14 1.33 -0.27 0.00 0.04 0.00 0.00 61.00 62.23 1d4b s PRO 110 Cb -0.12 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1d4b s PRO 110 CO 0.02 -0.72 0.85 0.99 0.04 0.00 0.00 177.00 178.18 1d4b s THR 111 N -2.19 4.43 0.32 1.26 2.01 -1.26 -5.04 115.64 115.16 1d4b s THR 111 Ca 0.66 1.85 -0.18 0.00 0.31 0.00 0.00 61.69 64.34 1d4b s THR 111 Cb -0.17 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.15 1d4b s THR 111 CO 0.30 0.43 0.72 -0.60 -0.69 0.00 0.00 174.62 174.78 1d4b s ARG 112 N -0.62 1.94 0.47 4.92 3.52 -1.26 -5.17 118.95 122.75 1d4b s ARG 112 Ca 0.40 -1.21 -0.08 0.00 -0.13 0.00 0.00 55.73 54.71 1d4b s ARG 112 Cb -0.23 0.60 0.11 0.00 -1.56 0.00 0.00 34.95 33.87 1d4b s ARG 112 CO 0.27 -0.89 0.48 0.45 -0.81 0.00 0.00 175.30 174.81 1d4b n SER 113 N -0.84 -0.96 -3.62 -2.12 2.88 -1.26 -5.05 113.62 102.65 1d4b n SER 113 Ca -0.05 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 1d4b n SER 113 Cb 0.60 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d4b n GLY 114 N 0.15 -2.01 3.64 0.46 0.00 -1.26 -4.57 105.19 101.59 1d4b n GLY 114 Ca 0.06 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.32 -5.82 -3.70 1.61 0.31 -1.26 -4.97 118.33 104.18 1d4b n VAL 115 Ca 0.00 -0.87 -0.30 0.00 -0.01 0.00 0.00 64.34 63.16 1d4b n VAL 115 Cb 0.00 -4.42 -0.15 0.00 -0.91 0.00 0.00 33.84 28.37 1d4b n VAL 115 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1d4b s LEU 116 N -6.39 2.10 -0.20 7.52 2.96 -1.26 -5.11 118.68 118.31 1d4b s LEU 116 Ca 0.31 -1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 52.27 1d4b s LEU 116 Cb -0.09 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1d4b s LEU 116 CO 0.83 -0.39 0.40 -2.28 -1.32 0.00 0.00 176.35 173.59 1d4b s HIS 117 N 1.44 3.38 0.37 5.38 2.46 -1.26 -5.07 115.29 121.99 1d4b s HIS 117 Ca 0.11 0.62 -0.06 0.00 0.47 0.00 0.00 55.06 56.21 1d4b s HIS 117 Cb -0.19 -2.52 0.10 0.00 -0.13 0.00 0.00 32.58 29.84 1d4b s HIS 117 CO -0.21 0.00 0.25 1.58 -2.47 0.00 0.00 174.74 173.90 1d4b n HIS 118 N 4.41 -2.72 -4.11 3.88 -0.00 -1.26 -5.06 115.22 110.36 1d4b n HIS 118 Ca -0.08 -0.23 -0.19 0.00 0.46 0.00 0.00 57.72 57.68 1d4b n HIS 118 Cb 0.51 -0.32 -0.02 0.00 -0.12 0.00 0.00 29.99 30.04 1d4b n HIS 118 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1d4b n HIS 119 N -3.56 -0.10 -2.52 1.57 1.44 -1.26 -5.15 115.22 105.63 1d4b n HIS 119 Ca 0.04 -1.55 0.00 0.00 -2.01 0.00 0.00 57.72 54.19 1d4b n HIS 119 Cb 0.16 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 30.02 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 -1.08 -0.22 -3.66 -1.40 -0.00 -1.26 -5.15 115.22 102.45 1d4b n HIS 120 Ca -0.07 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.88 1d4b n HIS 120 Cb 0.41 0.00 -0.18 0.00 -0.12 0.00 0.00 29.99 30.10 1d4b n HIS 120 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1d4b s HIS 121 N -4.06 0.22 0.00 1.57 2.46 -1.26 -5.37 115.29 108.85 1d4b s HIS 121 Ca 0.00 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.49 1d4b s HIS 121 Cb 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 32.58 31.84 1d4b s HIS 121 CO 0.00 -0.34 0.04 0.72 -2.47 0.00 0.00 174.74 172.69