#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 1.29 -0.01 2.12 -0.58 -1.26 -5.09 120.64 117.12 1d4b n GLU 2 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1d4b n GLU 2 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1d4b n GLU 2 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1d4b h TYR 3 N 0.07 0.00 0.00 -0.32 3.20 -2.10 -3.48 116.97 114.34 1d4b h TYR 3 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1d4b h TYR 3 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1d4b h TYR 3 CO 0.00 0.00 0.00 -0.11 -1.64 0.00 0.00 178.16 176.41 1d4b n LEU 4 N -2.48 0.80 -3.70 2.82 7.94 -1.26 -5.10 117.00 116.02 1d4b n LEU 4 Ca -0.00 0.18 -0.11 0.00 -1.11 0.00 0.00 56.01 54.97 1d4b n LEU 4 Cb 0.02 -0.18 -0.11 0.00 0.53 0.00 0.00 43.42 43.67 1d4b n LEU 4 CO 0.01 -0.74 0.03 -0.44 -1.11 0.00 0.00 177.39 175.14 1d4b s SER 5 N -5.72 -0.48 -0.09 1.96 0.01 -1.26 -5.05 113.70 103.06 1d4b s SER 5 Ca 0.00 0.84 -0.02 0.00 1.31 0.00 0.00 55.95 58.08 1d4b s SER 5 Cb 0.00 0.73 -0.05 0.00 0.21 0.00 0.00 66.02 66.91 1d4b s SER 5 CO 0.00 -0.19 -0.10 0.00 0.41 0.00 0.00 173.24 173.36 1d4b n ALA 6 N 4.19 2.08 -2.70 1.44 0.00 -1.26 -4.95 120.51 119.31 1d4b n ALA 6 Ca -0.23 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 52.76 1d4b n ALA 6 Cb 0.55 0.33 0.09 0.00 0.00 0.00 0.00 19.45 20.43 1d4b n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1d4b n LEU 7 N -3.08 -1.91 -4.75 0.00 4.77 -1.26 -5.14 117.00 105.63 1d4b n LEU 7 Ca -0.17 -3.08 -0.35 0.00 -0.03 0.00 0.00 56.01 52.38 1d4b n LEU 7 Cb 0.65 0.80 0.05 0.00 -2.33 0.00 0.00 43.42 42.59 1d4b n LEU 7 CO 0.05 1.86 0.83 0.20 -1.33 0.00 0.00 177.39 179.01 1d4b s ASN 8 N -0.92 4.93 -0.07 -1.43 0.01 -1.26 -4.96 114.94 111.24 1d4b s ASN 8 Ca 0.20 2.38 -0.23 0.00 -0.71 0.00 0.00 52.86 54.50 1d4b s ASN 8 Cb 0.29 -2.60 -0.19 0.00 0.41 0.00 0.00 41.25 39.17 1d4b s ASN 8 CO -0.09 -1.77 0.89 1.55 -1.51 0.00 0.00 177.10 176.17 1d4b h PRO 9 N 0.56 -0.09 -6.15 -0.60 0.13 -2.04 -3.40 132.00 120.40 1d4b h PRO 9 Ca -0.50 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1d4b h PRO 9 Cb 1.30 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 1d4b h PRO 9 CO 0.54 0.49 1.14 -1.54 -0.23 0.00 0.00 178.00 178.39 1d4b s SER 10 N -5.74 6.28 0.34 1.44 1.04 -1.26 -4.37 113.70 111.44 1d4b s SER 10 Ca -0.14 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1d4b s SER 10 Cb -0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1d4b s SER 10 CO 0.55 -1.68 0.00 0.47 0.98 0.00 0.00 173.24 173.57 1d4b n ASP 11 N 8.98 -3.09 -2.51 7.02 8.00 -1.26 -5.00 116.55 128.68 1d4b n ASP 11 Ca 0.12 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.38 1d4b n ASP 11 Cb 0.49 2.99 0.05 0.00 -0.02 0.00 0.00 41.12 44.64 1d4b n ASP 11 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1d4b n LEU 12 N -3.27 0.88 -3.51 0.64 4.77 -1.26 -4.97 117.00 110.27 1d4b n LEU 12 Ca 0.00 -2.84 -0.40 0.00 -0.03 0.00 0.00 56.01 52.74 1d4b n LEU 12 Cb 0.00 0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1d4b n LEU 12 CO 0.00 1.07 2.70 0.18 -1.33 0.00 0.00 177.39 180.01 1d4b n LEU 13 N -0.55 7.95 -2.12 2.23 4.77 -1.26 -4.30 117.00 123.72 1d4b n LEU 13 Ca 0.01 -4.60 0.00 0.00 -0.03 0.00 0.00 56.01 51.39 1d4b n LEU 13 Cb 0.87 -1.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.52 1d4b n LEU 13 CO 0.01 1.86 0.15 -2.11 -1.33 0.00 0.00 177.39 175.97 1d4b n ARG 14 N 3.13 0.87 -2.20 3.23 1.85 -1.26 -5.12 116.66 117.16 1d4b n ARG 14 Ca 0.63 -2.34 -0.26 0.00 -1.00 0.00 0.00 57.85 54.88 1d4b n ARG 14 Cb 0.27 -0.49 0.08 0.00 -1.05 0.00 0.00 32.46 31.27 1d4b n ARG 14 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1d4b s SER 15 N -2.44 4.64 -0.40 2.89 1.04 -1.26 -5.06 113.70 113.10 1d4b s SER 15 Ca 0.23 0.39 0.02 0.00 0.48 0.00 0.00 55.95 57.08 1d4b s SER 15 Cb 0.32 -0.97 0.12 0.00 0.10 0.00 0.00 66.02 65.59 1d4b s SER 15 CO -0.09 -1.71 0.17 -0.69 0.98 0.00 0.00 173.24 171.89 1d4b s VAL 16 N -3.30 1.76 -0.61 5.02 1.01 -1.26 -5.06 120.40 117.96 1d4b s VAL 16 Ca 0.62 -2.42 -0.18 0.00 0.00 0.00 0.00 61.98 59.99 1d4b s VAL 16 Cb -0.10 -2.26 0.11 0.00 0.00 0.00 0.00 36.38 34.13 1d4b s VAL 16 CO 0.45 -0.75 0.70 -0.44 0.00 0.00 0.00 175.10 175.06 1d4b s SER 17 N 0.62 6.22 -0.22 3.32 0.01 -1.26 -4.85 113.70 117.54 1d4b s SER 17 Ca 0.14 -1.55 0.14 0.00 1.31 0.00 0.00 55.95 55.99 1d4b s SER 17 Cb -0.22 -2.29 0.45 0.00 0.21 0.00 0.00 66.02 64.17 1d4b s SER 17 CO -0.07 -1.07 1.18 0.59 0.41 0.00 0.00 173.24 174.28 1d4b n ASN 18 N 6.12 2.81 -3.44 2.44 4.13 -1.26 -4.94 115.26 121.13 1d4b n ASN 18 Ca -0.08 -3.23 -0.35 0.00 1.68 0.00 0.00 54.58 52.60 1d4b n ASN 18 Cb 0.42 -0.42 -0.04 0.00 -1.54 0.00 0.00 39.78 38.21 1d4b n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1d4b n ILE 19 N -0.64 2.27 -0.93 2.41 0.13 -1.26 -4.92 119.36 116.42 1d4b n ILE 19 Ca 0.24 -1.67 -0.30 0.00 -1.10 0.00 0.00 62.75 59.92 1d4b n ILE 19 Cb 0.88 -2.28 0.24 0.00 -0.84 0.00 0.00 39.64 37.64 1d4b n ILE 19 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1d4b s SER 20 N 4.13 0.88 -0.11 9.51 0.15 -1.26 -5.03 113.70 121.97 1d4b s SER 20 Ca 0.50 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1d4b s SER 20 Cb 0.13 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.18 1d4b s SER 20 CO 0.04 -4.17 -0.12 -0.55 1.20 0.00 0.00 173.24 169.64 1d4b s SER 21 N -3.57 4.15 -0.28 5.45 0.15 -1.26 -5.10 113.70 113.25 1d4b s SER 21 Ca 0.69 -0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.84 1d4b s SER 21 Cb -0.13 -1.42 0.10 0.00 -1.71 0.00 0.00 66.02 62.86 1d4b s SER 21 CO 0.57 0.22 0.92 -1.83 1.20 0.00 0.00 173.24 174.33 1d4b s GLU 22 N 0.02 0.62 -0.43 5.44 -1.05 -1.26 -5.11 118.70 116.92 1d4b s GLU 22 Ca -0.03 0.74 0.02 0.00 -0.15 0.00 0.00 54.97 55.54 1d4b s GLU 22 Cb -0.14 0.30 0.22 0.00 -0.44 0.00 0.00 34.13 34.07 1d4b s GLU 22 CO 0.04 -0.07 0.96 0.34 0.95 0.00 0.00 175.26 177.47 1d4b n PHE 23 N 2.39 -2.34 -1.17 4.83 -0.00 -1.26 -5.10 117.46 114.81 1d4b n PHE 23 Ca -0.13 -1.16 0.00 0.00 -0.00 0.00 0.00 57.45 56.16 1d4b n PHE 23 Cb 0.56 1.34 0.00 0.00 -0.00 0.00 0.00 39.48 41.37 1d4b n PHE 23 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1d4b n GLY 24 N 2.27 -4.41 0.00 7.13 0.00 -1.26 -5.05 105.19 103.87 1d4b n GLY 24 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1d4b n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4b n ARG 25 N 0.81 0.11 -2.46 1.61 1.74 -1.26 -4.91 116.66 112.31 1d4b n ARG 25 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1d4b n ARG 25 Cb 0.00 -0.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.88 1d4b n ARG 25 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1d4b n ARG 26 N -1.56 2.61 -1.98 5.56 1.85 -1.26 -5.07 116.66 116.80 1d4b n ARG 26 Ca 0.00 -3.83 -0.42 0.00 -1.00 0.00 0.00 57.85 52.60 1d4b n ARG 26 Cb 0.10 -1.91 -0.03 0.00 -1.05 0.00 0.00 32.46 29.56 1d4b n ARG 26 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1d4b s VAL 27 N -4.20 3.07 0.08 8.89 0.11 -1.26 -5.00 120.40 122.08 1d4b s VAL 27 Ca 0.38 0.59 0.05 0.00 -2.93 0.00 0.00 61.98 60.07 1d4b s VAL 27 Cb 0.37 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 1d4b s VAL 27 CO -0.01 0.01 -0.03 0.26 -3.33 0.00 0.00 175.10 172.00 1d4b s TRP 28 N 2.23 2.93 -0.20 1.54 0.23 -1.26 -5.03 118.94 119.38 1d4b s TRP 28 Ca 0.71 -0.05 0.13 0.00 -2.03 0.00 0.00 56.10 54.87 1d4b s TRP 28 Cb -0.39 -1.53 0.44 0.00 0.03 0.00 0.00 33.47 32.02 1d4b s TRP 28 CO 0.31 0.46 1.20 0.25 0.96 0.00 0.00 176.95 180.13 1d4b n THR 29 N 0.73 1.86 -1.89 2.01 -2.24 -1.26 -5.07 114.28 108.42 1d4b n THR 29 Ca -0.12 -3.10 -0.37 0.00 -2.27 0.00 0.00 64.05 58.19 1d4b n THR 29 Cb 0.52 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.65 1d4b n THR 29 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1d4b s SER 30 N -3.17 5.23 0.01 3.42 1.04 -1.26 -4.94 113.70 114.03 1d4b s SER 30 Ca 0.40 2.59 -0.25 0.00 0.48 0.00 0.00 55.95 59.16 1d4b s SER 30 Cb 0.38 -2.62 -0.16 0.00 0.10 0.00 0.00 66.02 63.72 1d4b s SER 30 CO -0.06 -1.58 1.24 0.00 0.98 0.00 0.00 173.24 173.83 1d4b h ALA 31 N 1.22 -0.48 -2.61 5.32 0.00 -2.08 -3.43 119.26 117.20 1d4b h ALA 31 Ca -0.51 -0.18 -0.49 0.00 0.00 0.00 0.00 54.91 53.73 1d4b h ALA 31 Cb 1.30 0.19 0.02 0.00 0.00 0.00 0.00 17.79 19.30 1d4b h ALA 31 CO 0.56 -0.61 0.43 -1.25 0.00 0.00 0.00 179.25 178.39 1d4b s PRO 32 N -4.74 4.28 0.32 0.00 0.04 -1.26 -5.01 135.00 128.64 1d4b s PRO 32 Ca -0.14 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1d4b s PRO 32 Cb 0.02 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 1d4b s PRO 32 CO 0.53 -0.06 1.08 -1.25 0.04 0.00 0.00 177.00 177.35 1d4b s PRO 33 N -2.19 4.47 0.48 0.56 0.04 -1.26 -5.02 135.00 132.07 1d4b s PRO 33 Ca 0.54 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 1d4b s PRO 33 Cb -0.25 -2.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1d4b s PRO 33 CO 0.32 0.08 1.05 -1.25 0.04 0.00 0.00 177.00 177.24 1d4b s PRO 34 N -1.81 3.81 -0.01 0.56 0.04 -1.26 -4.80 135.00 131.52 1d4b s PRO 34 Ca 0.49 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1d4b s PRO 34 Cb -0.29 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 1d4b s PRO 34 CO 0.37 -0.44 1.61 -1.14 0.04 0.00 0.00 177.00 177.44 1d4b s GLN 35 N -3.11 4.20 -0.01 4.56 0.74 -1.26 -4.78 119.66 120.00 1d4b s GLN 35 Ca 0.66 2.19 0.03 0.00 0.05 0.00 0.00 55.36 58.29 1d4b s GLN 35 Cb -0.18 -3.82 -0.01 0.00 1.10 0.00 0.00 33.01 30.10 1d4b s GLN 35 CO 0.22 -0.77 -0.09 0.50 -0.55 0.00 0.00 175.29 174.60 1d4b s ARG 36 N 3.42 0.71 -0.72 1.67 6.06 -1.25 -4.95 118.95 123.89 1d4b s ARG 36 Ca 0.72 -0.32 -0.26 0.00 -2.50 0.00 0.00 55.73 53.37 1d4b s ARG 36 Cb -0.35 -0.69 -0.02 0.00 0.06 0.00 0.00 34.95 33.96 1d4b s ARG 36 CO 0.30 0.19 1.77 -1.25 -2.50 0.00 0.00 175.30 173.80 1d4b s PRO 37 N -0.23 2.75 -0.01 5.12 0.04 -1.26 -2.57 135.00 138.84 1d4b s PRO 37 Ca 0.03 0.17 -0.10 0.00 0.04 0.00 0.00 61.00 61.14 1d4b s PRO 37 Cb -0.04 -4.57 -0.05 0.00 0.04 0.00 0.00 34.50 29.88 1d4b s PRO 37 CO -0.00 -2.77 0.32 -0.06 0.04 0.00 0.00 177.00 174.53 1d4b s PHE 38 N 8.57 3.64 -0.30 0.56 0.08 -1.00 -4.89 117.98 124.64 1d4b s PHE 38 Ca 0.62 0.76 -0.10 0.00 0.12 0.00 0.00 56.93 58.32 1d4b s PHE 38 Cb -0.10 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1d4b s PHE 38 CO 0.13 0.63 0.17 0.50 -0.10 0.00 0.00 175.22 176.55 1d4b s ARG 39 N -1.40 3.53 -0.14 0.44 3.52 -1.26 -2.12 118.95 121.52 1d4b s ARG 39 Ca 0.25 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 55.21 1d4b s ARG 39 Cb -0.14 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1d4b s ARG 39 CO 0.13 -0.35 0.03 0.08 -0.81 0.00 0.00 175.30 174.38 1d4b s VAL 40 N 1.66 4.49 0.01 7.11 1.01 -0.37 -4.37 120.40 129.96 1d4b s VAL 40 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1d4b s VAL 40 Cb -0.17 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1d4b s VAL 40 CO 0.08 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.57 1d4b s ASP 42 N -0.74 3.23 0.00 0.00 -1.08 0.32 -4.05 116.67 114.35 1d4b s ASP 42 Ca 0.03 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 1d4b s ASP 42 Cb -0.07 -0.43 0.00 0.00 -1.46 0.00 0.00 42.92 40.96 1d4b s ASP 42 CO 0.00 -2.67 0.12 1.57 0.52 0.00 0.00 175.17 174.71 1d4b n HIS 43 N -3.74 0.00 -0.00 -5.34 -0.00 -1.26 -4.44 115.22 100.44 1d4b n HIS 43 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1d4b n HIS 43 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1d4b n HIS 43 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1d4b n LYS 44 N -0.28 0.00 -0.29 1.57 3.00 -1.26 -4.94 118.16 115.96 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 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.34 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 -2.33 0.00 0.09 1.64 0.63 -1.26 -4.96 116.66 110.46 1d4b n ARG 45 Ca -0.00 -0.24 -0.12 0.00 -0.92 0.00 0.00 57.85 56.57 1d4b n ARG 45 Cb 0.00 -0.15 -0.05 0.00 0.45 0.00 0.00 32.46 32.71 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 4.52 0.64 -3.83 5.15 1.35 -1.92 -3.43 112.91 115.39 1d4b h THR 46 Ca 0.00 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.44 1d4b h THR 46 Cb 1.07 0.64 -0.31 0.00 -1.73 0.00 0.00 68.15 67.82 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 -6.13 0.76 -0.27 6.82 1.09 -1.26 -5.03 121.20 117.18 1d4b s ILE 47 Ca -0.15 -0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.01 1d4b s ILE 47 Cb 0.08 -0.67 0.09 0.00 -1.06 0.00 0.00 42.46 40.90 1d4b s ILE 47 CO 0.66 0.24 0.13 -0.60 -0.10 0.00 0.00 174.94 175.26 1d4b s ARG 48 N 0.16 0.17 -0.01 2.79 3.52 -1.26 -0.52 118.95 123.80 1d4b s ARG 48 Ca -0.02 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 1d4b s ARG 48 Cb -0.08 -1.26 -0.00 0.00 -1.56 0.00 0.00 34.95 32.04 1d4b s ARG 48 CO 0.00 -0.96 -0.06 0.21 -0.81 0.00 0.00 175.30 173.68 1d4b s LYS 49 N 2.11 0.54 -0.24 5.12 2.47 -0.84 -5.03 119.74 123.88 1d4b s LYS 49 Ca 0.08 -0.23 -0.01 0.00 -1.56 0.00 0.00 55.97 54.25 1d4b s LYS 49 Cb -0.16 -0.53 0.07 0.00 -1.46 0.00 0.00 37.83 35.75 1d4b s LYS 49 CO -0.32 0.13 0.04 0.20 0.16 0.00 0.00 175.35 175.55 1d4b s GLY 50 N -0.10 0.96 0.23 5.54 0.00 -1.26 -1.23 107.32 111.45 1d4b s GLY 50 Ca 0.02 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.63 1d4b s GLY 50 CO -0.00 1.37 -0.06 1.08 0.00 0.00 0.00 173.10 175.49 1d4b s LEU 51 N 1.68 2.40 -0.05 0.66 1.43 -0.90 -4.87 118.68 119.03 1d4b s LEU 51 Ca 0.01 -1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 51.67 1d4b s LEU 51 Cb -0.18 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1d4b s LEU 51 CO -0.13 -0.37 1.00 0.42 0.23 0.00 0.00 176.35 177.49 1d4b s THR 52 N -3.20 4.82 0.03 5.49 -4.23 -1.26 -2.36 115.64 114.92 1d4b s THR 52 Ca 0.26 2.04 0.02 0.00 -1.18 0.00 0.00 61.69 62.83 1d4b s THR 52 Cb 0.03 -4.31 -0.02 0.00 1.34 0.00 0.00 72.50 69.54 1d4b s THR 52 CO 0.08 0.09 -0.06 0.00 -0.54 0.00 0.00 174.62 174.19 1d4b s ALA 53 N 1.46 0.44 -0.32 3.99 0.00 -1.06 -4.88 121.76 121.40 1d4b s ALA 53 Ca 0.51 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.84 1d4b s ALA 53 Cb -0.20 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.06 1d4b s ALA 53 CO 0.24 -0.03 0.10 0.00 0.00 0.00 0.00 175.76 176.06 1d4b s ALA 54 N -1.17 1.68 -0.15 0.00 0.00 -1.26 -3.79 121.76 117.07 1d4b s ALA 54 Ca -0.09 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 49.91 1d4b s ALA 54 Cb -0.08 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.42 1d4b s ALA 54 CO 0.00 -1.68 0.48 0.99 0.00 0.00 0.00 175.76 175.55 1d4b s THR 55 N 1.52 0.01 0.00 0.00 2.01 -1.26 -4.95 115.64 112.96 1d4b s THR 55 Ca 0.10 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1d4b s THR 55 Cb -0.18 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1d4b s THR 55 CO -0.23 -0.04 0.00 -1.14 -0.69 0.00 0.00 174.62 172.52 1d4b n ARG 56 N 2.46 0.00 -0.05 4.92 0.63 -1.26 -4.43 116.66 118.92 1d4b n ARG 56 Ca -0.15 0.07 -0.22 0.00 -0.92 0.00 0.00 57.85 56.63 1d4b n ARG 56 Cb 0.57 -0.37 -0.13 0.00 0.45 0.00 0.00 32.46 32.98 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 -1.38 0.66 0.24 -0.14 7.27 -1.26 -4.01 117.38 118.76 1d4b n GLN 57 Ca 0.00 0.43 0.16 0.00 0.07 0.00 0.00 57.00 57.66 1d4b n GLN 57 Cb 0.00 -1.73 0.88 0.00 2.41 0.00 0.00 30.24 31.80 1d4b n GLN 57 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1d4b h GLU 58 N -0.50 0.00 -0.78 3.69 4.81 -2.00 -2.38 114.58 117.41 1d4b h GLU 58 Ca -0.39 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.02 1d4b h GLU 58 Cb 1.65 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.98 1d4b h GLU 58 CO -0.08 0.00 0.53 1.25 -0.73 0.00 0.00 179.01 179.99 1d4b h LEU 59 N 0.00 0.27 -0.74 1.64 6.46 -1.77 0.29 115.31 121.46 1d4b h LEU 59 Ca 0.00 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1d4b h LEU 59 Cb 0.00 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 1d4b h LEU 59 CO 0.00 0.13 0.21 0.25 -0.62 0.00 0.00 178.44 178.41 1d4b h LEU 60 N 0.28 1.09 -2.11 2.25 7.12 -1.69 -2.18 115.31 120.08 1d4b h LEU 60 Ca 0.39 -0.22 0.09 0.00 0.13 0.00 0.00 57.88 58.27 1d4b h LEU 60 Cb 1.11 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.94 1d4b h LEU 60 CO -0.10 1.02 0.30 0.00 -0.13 0.00 0.00 178.44 179.54 1d4b h ALA 61 N 1.11 1.99 0.48 1.25 0.00 -1.13 -2.38 119.26 120.59 1d4b h ALA 61 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1d4b h ALA 61 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1d4b h ALA 61 CO -0.00 -0.45 -0.23 -0.22 0.00 0.00 0.00 179.25 178.34 1d4b h LYS 62 N 0.00 -0.62 -1.13 0.00 3.64 -1.40 -2.20 116.57 114.85 1d4b h LYS 62 Ca 0.14 0.04 0.31 0.00 -1.27 0.00 0.00 60.65 59.88 1d4b h LYS 62 Cb 0.74 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 1d4b h LYS 62 CO -0.00 -0.32 0.77 0.00 -2.27 0.00 0.00 179.45 177.63 1d4b h ALA 63 N -0.65 2.69 -0.64 5.00 0.00 -1.50 0.47 119.26 124.63 1d4b h ALA 63 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1d4b h ALA 63 Cb 0.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1d4b h ALA 63 CO 0.11 -1.08 0.00 1.28 0.00 0.00 0.00 179.25 179.56 1d4b n LEU 64 N -4.42 0.55 0.31 0.00 4.77 -1.14 -4.15 117.00 112.92 1d4b n LEU 64 Ca 0.26 0.47 0.19 0.00 -0.03 0.00 0.00 56.01 56.90 1d4b n LEU 64 Cb 1.09 -0.39 1.01 0.00 -2.33 0.00 0.00 43.42 42.80 1d4b n LEU 64 CO 0.32 -0.39 1.12 -0.08 -1.33 0.00 0.00 177.39 177.02 1d4b h GLU 65 N 0.00 0.00 -0.66 3.23 4.22 -1.27 -2.58 114.58 117.52 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 0.02 0.15 0.00 -2.18 0.00 0.00 179.01 177.00 1d4b h THR 66 N 0.00 0.60 0.00 0.32 1.03 -0.22 -3.30 112.91 111.34 1d4b h THR 66 Ca -0.00 -0.09 -0.36 0.00 -0.01 0.00 0.00 66.41 65.94 1d4b h THR 66 Cb 0.13 0.30 -0.05 0.00 -1.07 0.00 0.00 68.15 67.45 1d4b h THR 66 CO 0.00 0.05 -2.19 0.18 -0.01 0.00 0.00 175.52 173.56 1d4b n LEU 67 N -5.13 1.83 -3.95 0.00 4.77 -1.16 -5.02 117.00 108.34 1d4b n LEU 67 Ca 0.11 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1d4b n LEU 67 Cb 0.37 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 1d4b n LEU 67 CO 0.16 0.39 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.47 1d4b s LEU 68 N -7.48 2.07 -0.30 2.23 2.01 -0.98 -5.12 118.68 111.11 1d4b s LEU 68 Ca -0.35 -0.18 -0.25 0.00 0.01 0.00 0.00 54.13 53.36 1d4b s LEU 68 Cb 0.12 -0.12 0.00 0.00 0.01 0.00 0.00 46.19 46.21 1d4b s LEU 68 CO 0.45 -0.04 0.86 -1.48 1.01 0.00 0.00 176.35 177.15 1d4b s LEU 69 N -0.46 4.06 0.02 1.79 0.05 -1.26 -3.15 118.68 119.72 1d4b s LEU 69 Ca -0.03 0.81 0.01 0.00 0.05 0.00 0.00 54.13 54.97 1d4b s LEU 69 Cb -0.03 -3.20 -0.02 0.00 -2.05 0.00 0.00 46.19 40.88 1d4b s LEU 69 CO -0.00 -0.66 -0.04 0.21 -0.55 0.00 0.00 176.35 175.30 1d4b s ASN 70 N 1.58 0.40 0.01 1.48 3.84 -1.26 -5.01 114.94 115.97 1d4b s ASN 70 Ca 0.36 -0.46 -0.18 0.00 0.21 0.00 0.00 52.86 52.79 1d4b s ASN 70 Cb -0.14 0.07 -0.35 0.00 -0.55 0.00 0.00 41.25 40.29 1d4b s ASN 70 CO 0.12 -0.24 0.97 1.23 -2.79 0.00 0.00 177.10 176.39 1d4b h GLY 71 N 4.76 0.54 -6.66 1.21 0.00 -2.02 -3.45 103.07 97.45 1d4b h GLY 71 Ca -0.32 -1.39 -0.41 0.00 0.00 0.00 0.00 47.33 45.21 1d4b h GLY 71 CO 0.42 1.22 -0.76 0.14 0.00 0.00 0.00 176.54 177.55 1d4b s VAL 72 N -2.55 0.37 -0.02 4.60 1.01 -1.26 -5.14 120.40 117.42 1d4b s VAL 72 Ca -0.10 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1d4b s VAL 72 Cb 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1d4b s VAL 72 CO 0.91 0.22 0.16 -0.22 0.00 0.00 0.00 175.10 176.18 1d4b s LEU 73 N 1.46 1.44 -0.10 3.92 1.98 -1.26 -5.07 118.68 121.05 1d4b s LEU 73 Ca -0.03 -0.05 -0.25 0.00 -2.89 0.00 0.00 54.13 50.92 1d4b s LEU 73 Cb -0.13 0.71 -0.03 0.00 0.66 0.00 0.00 46.19 47.40 1d4b s LEU 73 CO -0.03 -0.30 0.79 0.42 -1.89 0.00 0.00 176.35 175.33 1d4b s THR 74 N -1.03 4.96 -0.42 3.68 -4.23 -1.24 -4.92 115.64 112.45 1d4b s THR 74 Ca -0.11 1.59 -0.17 0.00 -1.18 0.00 0.00 61.69 61.82 1d4b s THR 74 Cb -0.06 -4.11 0.02 0.00 1.34 0.00 0.00 72.50 69.69 1d4b s THR 74 CO 0.01 0.15 0.42 -0.76 -0.54 0.00 0.00 174.62 173.90 1d4b s LEU 75 N 1.37 4.87 0.39 4.79 1.02 -0.34 -3.79 118.68 126.99 1d4b s LEU 75 Ca 0.40 -0.67 0.08 0.00 0.02 0.00 0.00 54.13 53.95 1d4b s LEU 75 Cb -0.18 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.64 1d4b s LEU 75 CO 0.17 -0.55 0.26 0.68 0.02 0.00 0.00 176.35 176.93 1d4b s VAL 76 N 2.08 2.69 -0.16 -1.59 -7.23 -1.23 0.31 120.40 115.26 1d4b s VAL 76 Ca 0.11 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1d4b s VAL 76 Cb -0.17 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 33.81 1d4b s VAL 76 CO 0.13 -0.05 0.08 -1.48 -0.31 0.00 0.00 175.10 173.47 1d4b s LEU 77 N -3.99 0.47 0.33 1.32 0.05 -0.84 -3.94 118.68 112.08 1d4b s LEU 77 Ca 0.43 -0.57 0.25 0.00 0.05 0.00 0.00 54.13 54.29 1d4b s LEU 77 Cb -0.01 -0.30 1.17 0.00 -2.05 0.00 0.00 46.19 45.00 1d4b s LEU 77 CO 0.25 -0.33 1.75 -0.08 -0.55 0.00 0.00 176.35 177.39 1d4b h GLU 78 N 8.39 0.00 -0.28 1.48 4.81 -1.97 0.56 114.58 127.57 1d4b h GLU 78 Ca -0.15 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1d4b h GLU 78 Cb 1.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1d4b h GLU 78 CO 0.28 0.00 -0.01 1.49 -0.73 0.00 0.00 179.01 180.04 1d4b h GLU 79 N 0.00 0.07 0.00 1.92 4.81 -1.97 -3.32 114.58 116.09 1d4b h GLU 79 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1d4b h GLU 79 Cb 0.20 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1d4b h GLU 79 CO 0.00 0.05 -1.17 -3.47 -0.73 0.00 0.00 179.01 173.68 1d4b n ASP 80 N -5.17 4.19 -0.76 1.04 2.03 -1.16 -5.05 116.55 111.67 1d4b n ASP 80 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1d4b n ASP 80 Cb 0.15 1.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 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 2.39 0.88 3.01 0.27 0.00 0.18 -5.10 105.19 106.82 1d4b n GLY 81 Ca -0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 0.14 -0.02 2.61 2.01 -1.21 -4.99 115.64 111.70 1d4b s THR 82 Ca 0.00 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 60.89 1d4b s THR 82 Cb 0.00 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1d4b s THR 82 CO 0.00 -0.61 0.00 0.00 -0.69 0.00 0.00 174.62 173.32 1d4b s ALA 83 N -2.06 3.30 0.05 7.40 0.00 -1.26 -1.98 121.76 127.21 1d4b s ALA 83 Ca -0.10 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1d4b s ALA 83 Cb -0.06 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 1d4b s ALA 83 CO -0.03 0.63 0.12 0.08 0.00 0.00 0.00 175.76 176.56 1d4b s VAL 84 N -1.04 0.14 0.00 0.00 1.01 0.15 -4.98 120.40 115.69 1d4b s VAL 84 Ca 0.18 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 61.07 1d4b s VAL 84 Cb -0.11 -1.10 0.15 0.00 0.00 0.00 0.00 36.38 35.32 1d4b s VAL 84 CO 0.08 -0.65 0.99 -0.90 0.00 0.00 0.00 175.10 174.62 1d4b n ASP 85 N 0.46 0.22 -3.58 3.32 5.68 -1.26 -1.20 116.55 120.19 1d4b n ASP 85 Ca -0.17 -1.86 -0.14 0.00 -0.50 0.00 0.00 54.79 52.11 1d4b n ASP 85 Cb 0.60 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.37 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 -1.22 0.80 0.49 -1.12 1.04 -1.26 -5.01 113.70 107.42 1d4b s SER 86 Ca 0.12 -1.45 0.29 0.00 0.48 0.00 0.00 55.95 55.39 1d4b s SER 86 Cb 0.14 0.57 1.59 0.00 0.10 0.00 0.00 66.02 68.41 1d4b s SER 86 CO -0.06 -1.12 1.88 -0.08 0.98 0.00 0.00 173.24 174.83 1d4b h GLU 87 N 2.24 0.00 0.00 4.02 4.22 -1.99 -1.59 114.58 121.48 1d4b h GLU 87 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1d4b h GLU 87 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1d4b h GLU 87 CO 0.41 0.00 0.00 -3.47 -2.18 0.00 0.00 179.01 173.77 1d4b n ASP 88 N -2.59 0.11 0.00 1.04 -0.08 -1.26 -3.81 116.55 109.95 1d4b n ASP 88 Ca -0.02 0.54 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1d4b n ASP 88 Cb 0.15 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1d4b n ASP 88 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1d4b n PHE 89 N -1.64 0.00 0.28 -0.67 7.35 -0.60 0.59 117.46 122.78 1d4b n PHE 89 Ca 0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.87 1d4b n PHE 89 Cb 0.05 -0.14 0.89 0.00 0.35 0.00 0.00 39.48 40.63 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 -1.86 0.31 116.94 110.30 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 -0.16 0.00 -0.24 0.94 -0.60 0.00 0.00 178.31 178.26 1d4b n GLN 91 N -3.22 0.14 0.01 1.51 7.27 -0.25 -3.46 117.38 119.38 1d4b n GLN 91 Ca -0.00 0.08 0.12 0.00 0.07 0.00 0.00 57.00 57.27 1d4b n GLN 91 Cb 0.34 -1.63 0.31 0.00 2.41 0.00 0.00 30.24 31.67 1d4b n GLN 91 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1d4b n LEU 92 N -1.85 0.43 -4.27 1.69 0.00 0.20 -4.90 117.00 108.29 1d4b n LEU 92 Ca 0.05 0.11 -0.15 0.00 0.00 0.00 0.00 56.01 56.03 1d4b n LEU 92 Cb 0.39 -0.29 -0.10 0.00 0.00 0.00 0.00 43.42 43.42 1d4b n LEU 92 CO 0.32 0.09 -0.37 -0.76 0.00 0.00 0.00 177.39 176.66 1d4b s LEU 93 N -3.11 2.37 1.26 -1.96 1.02 -1.22 -5.10 118.68 111.93 1d4b s LEU 93 Ca 0.11 -1.10 -0.18 0.00 0.02 0.00 0.00 54.13 52.98 1d4b s LEU 93 Cb 0.17 -0.28 0.31 0.00 0.02 0.00 0.00 46.19 46.41 1d4b s LEU 93 CO 0.67 -0.42 1.02 -0.70 0.02 0.00 0.00 176.35 176.94 1d4b s GLU 94 N -3.81 -1.64 0.07 1.70 -6.30 -1.26 -4.84 118.70 102.61 1d4b s GLU 94 Ca 0.21 0.26 -0.30 0.00 -2.50 0.00 0.00 54.97 52.64 1d4b s GLU 94 Cb 0.04 -1.52 -0.09 0.00 0.00 0.00 0.00 34.13 32.56 1d4b s GLU 94 CO 0.04 -4.06 1.89 0.34 0.02 0.00 0.00 175.26 173.49 1d4b s ASP 95 N -3.27 6.45 0.17 -1.70 2.15 -1.26 -4.92 116.67 114.30 1d4b s ASP 95 Ca 0.69 2.68 -0.23 0.00 0.43 0.00 0.00 52.55 56.12 1d4b s ASP 95 Cb -0.15 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1d4b s ASP 95 CO 0.59 -1.03 1.02 1.51 -0.17 0.00 0.00 175.17 177.09 1d4b s ASP 96 N 3.69 -0.06 -0.30 -0.34 1.47 -1.26 -5.13 116.67 114.74 1d4b s ASP 96 Ca 0.85 -0.57 0.01 0.00 1.18 0.00 0.00 52.55 54.02 1d4b s ASP 96 Cb -0.43 0.49 0.09 0.00 -0.34 0.00 0.00 42.92 42.72 1d4b s ASP 96 CO 0.39 -0.95 0.04 -0.89 0.68 0.00 0.00 175.17 174.44 1d4b s THR 97 N -2.59 1.53 -0.03 2.11 2.01 -1.26 -5.05 115.64 112.36 1d4b s THR 97 Ca 0.18 -1.66 -0.01 0.00 0.31 0.00 0.00 61.69 60.51 1d4b s THR 97 Cb -0.02 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1d4b s THR 97 CO 0.04 -0.48 0.06 0.00 -0.69 0.00 0.00 174.62 173.55 1d4b s LEU 99 N 0.65 1.00 -0.08 0.00 2.96 -1.26 -4.97 118.68 116.98 1d4b s LEU 99 Ca -0.05 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.93 1d4b s LEU 99 Cb -0.07 0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.72 1d4b s LEU 99 CO -0.02 -0.13 0.20 -0.32 -1.32 0.00 0.00 176.35 174.75 1d4b s MET 100 N 1.06 0.18 -0.15 1.98 1.75 -1.25 -4.23 119.30 118.64 1d4b s MET 100 Ca -0.09 0.38 -0.03 0.00 -1.25 0.00 0.00 55.69 54.71 1d4b s MET 100 Cb -0.12 -0.05 0.05 0.00 2.84 0.00 0.00 34.83 37.55 1d4b s MET 100 CO -0.04 -0.11 0.03 0.08 -0.65 0.00 0.00 175.02 174.33 1d4b s VAL 101 N 0.77 0.39 0.29 10.11 1.01 -1.26 -3.58 120.40 128.14 1d4b s VAL 101 Ca -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1d4b s VAL 101 Cb -0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1d4b s VAL 101 CO -0.04 -0.06 0.39 -1.48 0.00 0.00 0.00 175.10 173.91 1d4b s LEU 102 N 1.93 0.92 0.50 3.92 2.34 -1.25 -4.99 118.68 122.06 1d4b s LEU 102 Ca 0.01 -1.34 -0.11 0.00 0.06 0.00 0.00 54.13 52.75 1d4b s LEU 102 Cb -0.15 1.26 -0.06 0.00 -0.56 0.00 0.00 46.19 46.68 1d4b s LEU 102 CO -0.07 -1.15 0.90 -1.58 -1.06 0.00 0.00 176.35 173.39 1d4b s GLN 103 N -3.56 3.74 1.13 1.48 0.74 -1.26 -3.59 119.66 118.35 1d4b s GLN 103 Ca 0.31 0.63 -0.12 0.00 0.05 0.00 0.00 55.36 56.22 1d4b s GLN 103 Cb 0.01 -2.24 0.27 0.00 1.10 0.00 0.00 33.01 32.15 1d4b s GLN 103 CO 0.16 -0.26 1.04 -1.54 -0.55 0.00 0.00 175.29 174.14 1d4b s SER 104 N -3.56 1.22 0.00 6.67 1.04 -1.26 -4.08 113.70 113.73 1d4b s SER 104 Ca 0.54 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.54 1d4b s SER 104 Cb -0.10 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1d4b s SER 104 CO 0.39 -4.06 0.00 0.61 0.98 0.00 0.00 173.24 171.17 1d4b n GLY 105 N 0.64 0.59 2.73 7.32 0.00 -1.26 -5.05 105.19 110.16 1d4b n GLY 105 Ca 0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.93 -0.04 0.61 1.61 0.74 -1.26 -5.15 119.66 112.24 1d4b s GLN 106 Ca 0.00 0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.70 1d4b s GLN 106 Cb 0.00 -0.37 0.08 0.00 1.10 0.00 0.00 33.01 33.83 1d4b s GLN 106 CO 0.00 -0.23 0.85 -1.12 -0.55 0.00 0.00 175.29 174.24 1d4b s SER 107 N 1.52 4.88 0.38 6.67 0.01 -1.26 -5.07 113.70 120.83 1d4b s SER 107 Ca -0.03 -0.41 -0.24 0.00 1.31 0.00 0.00 55.95 56.58 1d4b s SER 107 Cb -0.13 -0.20 -0.10 0.00 0.21 0.00 0.00 66.02 65.80 1d4b s SER 107 CO -0.03 -1.46 0.96 0.26 0.41 0.00 0.00 173.24 173.38 1d4b s TRP 108 N -2.86 3.47 0.30 2.43 0.51 -1.26 -5.06 118.94 116.47 1d4b s TRP 108 Ca 0.62 1.69 0.07 0.00 -2.12 0.00 0.00 56.10 56.36 1d4b s TRP 108 Cb -0.07 -2.91 -0.02 0.00 -0.81 0.00 0.00 33.47 29.65 1d4b s TRP 108 CO 0.40 -0.03 0.36 -1.12 -0.51 0.00 0.00 176.95 176.05 1d4b s SER 109 N -1.87 5.80 -0.25 2.95 0.01 -1.26 -5.05 113.70 114.03 1d4b s SER 109 Ca 0.57 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 57.31 1d4b s SER 109 Cb -0.15 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.76 1d4b s SER 109 CO 0.19 -0.28 1.45 -2.16 0.41 0.00 0.00 173.24 172.85 1d4b s PRO 110 N -4.04 3.88 -0.28 12.44 0.04 -1.26 -4.98 135.00 140.80 1d4b s PRO 110 Ca 0.40 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1d4b s PRO 110 Cb -0.08 -3.95 0.09 0.00 0.04 0.00 0.00 34.50 30.60 1d4b s PRO 110 CO 0.29 -1.18 0.10 0.99 0.04 0.00 0.00 177.00 177.24 1d4b s THR 111 N 4.71 0.40 -0.10 1.26 2.01 -1.26 -5.10 115.64 117.55 1d4b s THR 111 Ca 0.63 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 1d4b s THR 111 Cb -0.21 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.10 1d4b s THR 111 CO 0.26 -0.62 0.22 -0.60 -0.69 0.00 0.00 174.62 173.19 1d4b s ARG 112 N 1.87 0.13 -0.33 4.92 3.52 -1.26 -5.03 118.95 122.77 1d4b s ARG 112 Ca 0.08 0.59 0.06 0.00 -0.13 0.00 0.00 55.73 56.33 1d4b s ARG 112 Cb -0.17 -0.13 0.46 0.00 -1.56 0.00 0.00 34.95 33.55 1d4b s ARG 112 CO -0.27 -0.24 1.30 -1.13 -0.81 0.00 0.00 175.30 174.15 1d4b n SER 113 N 4.85 4.85 0.00 -2.12 3.41 -1.26 -4.92 113.62 118.43 1d4b n SER 113 Ca -0.14 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 1d4b n SER 113 Cb 0.51 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1d4b n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d4b n GLY 114 N -0.79 1.05 2.42 5.00 0.00 -1.26 -4.97 105.19 106.64 1d4b n GLY 114 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 1d4b n GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d4b n VAL 115 N 0.00 1.05 -0.07 1.61 0.24 -1.26 -5.10 118.33 114.80 1d4b n VAL 115 Ca 0.00 -4.82 0.00 0.00 -2.04 0.00 0.00 64.34 57.48 1d4b n VAL 115 Cb 0.00 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 1d4b n VAL 115 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1d4b n LEU 116 N 0.60 0.00 -1.39 1.34 4.32 -1.26 -4.87 117.00 115.74 1d4b n LEU 116 Ca 0.26 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.32 1d4b n LEU 116 Cb 0.50 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.59 1d4b n LEU 116 CO 0.28 -1.18 0.72 1.57 -1.22 0.00 0.00 177.39 177.55 1d4b n HIS 117 N -2.44 1.32 0.28 -1.77 -0.00 -1.26 -4.27 115.22 107.08 1d4b n HIS 117 Ca 0.00 -0.49 0.17 0.00 0.46 0.00 0.00 57.72 57.85 1d4b n HIS 117 Cb 0.00 -0.29 0.74 0.00 -0.12 0.00 0.00 29.99 30.32 1d4b n HIS 117 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 1d4b h HIS 118 N 3.10 0.00 -3.59 1.57 2.07 -2.02 -3.42 115.15 112.87 1d4b h HIS 118 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1d4b h HIS 118 Cb 1.35 0.00 -0.32 0.00 2.57 0.00 0.00 27.41 31.01 1d4b h HIS 118 CO 0.69 0.04 -0.86 -1.58 -3.07 0.00 0.00 177.93 173.15 1d4b s HIS 119 N -3.79 2.22 0.00 6.12 5.04 -1.26 -4.91 115.29 118.70 1d4b s HIS 119 Ca -0.00 -0.80 0.00 0.00 -1.54 0.00 0.00 55.06 52.71 1d4b s HIS 119 Cb 0.10 -1.49 0.00 0.00 0.04 0.00 0.00 32.58 31.23 1d4b s HIS 119 CO 0.54 -0.31 0.00 -2.39 -2.34 0.00 0.00 174.74 170.24 1d4b n HIS 120 N 3.38 0.00 0.36 3.88 1.44 -1.26 -5.00 115.22 118.01 1d4b n HIS 120 Ca -0.19 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.38 1d4b n HIS 120 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 1d4b n HIS 120 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1d4b h HIS 121 N 0.00 -0.85 0.00 -1.40 2.76 -1.95 -3.56 115.15 110.16 1d4b h HIS 121 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1d4b h HIS 121 Cb 0.00 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1d4b h HIS 121 CO 0.00 -0.53 0.00 -2.39 -1.30 0.00 0.00 177.93 173.71