#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 0.01 0.02 2.12 0.41 -1.26 -5.06 118.70 114.94 1d4b s GLU 2 Ca 0.00 0.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 1d4b s GLU 2 Cb 0.00 -0.12 0.00 0.00 -1.78 0.00 0.00 34.13 32.23 1d4b s GLU 2 CO 0.00 -0.09 0.00 0.98 -0.49 0.00 0.00 175.26 175.66 1d4b n TYR 3 N 3.68 -0.12 0.06 1.61 9.36 -1.26 -5.10 117.16 125.39 1d4b n TYR 3 Ca -0.21 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1d4b n TYR 3 Cb 0.55 0.33 0.00 0.00 -0.63 0.00 0.00 39.34 39.59 1d4b n TYR 3 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1d4b n LEU 4 N -2.57 -1.11 -4.85 2.98 4.77 -1.26 -5.13 117.00 109.83 1d4b n LEU 4 Ca 0.00 0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.94 1d4b n LEU 4 Cb 0.00 1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 42.36 1d4b n LEU 4 CO 0.00 -0.16 0.58 -0.55 -1.33 0.00 0.00 177.39 175.93 1d4b s SER 5 N -2.00 6.69 -0.05 -1.43 0.15 -1.26 -5.03 113.70 110.77 1d4b s SER 5 Ca 0.00 1.45 -0.06 0.00 0.70 0.00 0.00 55.95 58.05 1d4b s SER 5 Cb 0.00 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1d4b s SER 5 CO 0.00 -0.44 -0.11 0.00 1.20 0.00 0.00 173.24 173.89 1d4b n ALA 6 N -1.13 0.68 -2.14 5.45 0.00 -1.26 -4.85 120.51 117.27 1d4b n ALA 6 Ca 0.05 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1d4b n ALA 6 Cb 0.54 0.02 0.10 0.00 0.00 0.00 0.00 19.45 20.11 1d4b n ALA 6 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1d4b n LEU 7 N -3.17 1.79 -4.18 0.00 -0.00 -1.26 -5.04 117.00 105.14 1d4b n LEU 7 Ca -0.04 -2.86 -0.32 0.00 -0.00 0.00 0.00 56.01 52.79 1d4b n LEU 7 Cb 0.16 -0.21 -0.17 0.00 -0.00 0.00 0.00 43.42 43.21 1d4b n LEU 7 CO 0.07 0.92 -0.55 0.20 -0.00 0.00 0.00 177.39 178.03 1d4b s ASN 8 N -2.59 3.04 0.77 1.45 0.01 -1.26 -5.12 114.94 111.24 1d4b s ASN 8 Ca 0.36 -0.57 -0.11 0.00 -0.71 0.00 0.00 52.86 51.83 1d4b s ASN 8 Cb 0.38 -1.40 0.05 0.00 0.41 0.00 0.00 41.25 40.69 1d4b s ASN 8 CO -0.12 0.11 1.08 -2.16 -1.51 0.00 0.00 177.10 174.50 1d4b s PRO 9 N 0.62 2.31 -0.10 -0.60 0.04 -1.26 -4.91 135.00 131.09 1d4b s PRO 9 Ca -0.12 1.00 0.01 0.00 0.04 0.00 0.00 61.00 61.92 1d4b s PRO 9 Cb -0.17 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1d4b s PRO 9 CO 0.03 -1.56 -0.10 0.45 0.04 0.00 0.00 177.00 175.86 1d4b s SER 10 N -3.58 2.07 -0.26 6.66 0.15 -1.26 -5.11 113.70 112.37 1d4b s SER 10 Ca 0.60 -0.32 -0.08 0.00 0.70 0.00 0.00 55.95 56.86 1d4b s SER 10 Cb -0.16 -0.86 0.12 0.00 -1.71 0.00 0.00 66.02 63.41 1d4b s SER 10 CO 0.56 -0.06 0.56 1.51 1.20 0.00 0.00 173.24 177.01 1d4b s ASP 11 N 1.29 -0.82 -0.46 5.45 -4.77 -1.26 -5.11 116.67 110.99 1d4b s ASP 11 Ca -0.02 1.28 -0.28 0.00 -3.30 0.00 0.00 52.55 50.22 1d4b s ASP 11 Cb -0.14 1.93 -0.00 0.00 -1.09 0.00 0.00 42.92 43.62 1d4b s ASP 11 CO -0.04 -0.23 1.63 -0.22 0.70 0.00 0.00 175.17 177.01 1d4b s LEU 12 N 2.79 3.45 -0.40 2.11 0.20 -1.26 -4.86 118.68 120.72 1d4b s LEU 12 Ca -0.02 0.74 0.10 0.00 0.69 0.00 0.00 54.13 55.64 1d4b s LEU 12 Cb -0.12 -3.20 0.31 0.00 -0.43 0.00 0.00 46.19 42.74 1d4b s LEU 12 CO -0.17 -1.79 0.73 -0.11 -0.29 0.00 0.00 176.35 174.73 1d4b n LEU 13 N 10.30 -0.11 -4.46 -0.68 0.00 -1.26 -5.13 117.00 115.67 1d4b n LEU 13 Ca 0.18 -4.60 -0.31 0.00 0.00 0.00 0.00 56.01 51.29 1d4b n LEU 13 Cb 0.49 0.74 0.27 0.00 0.00 0.00 0.00 43.42 44.91 1d4b n LEU 13 CO 0.70 2.17 0.53 -0.13 0.00 0.00 0.00 177.39 180.67 1d4b s ARG 14 N -1.44 -2.26 -0.29 1.96 0.52 -1.26 -5.07 118.95 111.11 1d4b s ARG 14 Ca 0.35 -0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 55.30 1d4b s ARG 14 Cb 0.28 -1.48 0.11 0.00 0.52 0.00 0.00 34.95 34.38 1d4b s ARG 14 CO -0.10 -4.39 0.76 -1.12 0.02 0.00 0.00 175.30 170.48 1d4b s SER 15 N -3.73 -0.88 0.65 0.23 0.01 -1.26 -5.15 113.70 103.57 1d4b s SER 15 Ca 0.71 1.33 -0.17 0.00 1.31 0.00 0.00 55.95 59.14 1d4b s SER 15 Cb -0.09 1.60 -0.01 0.00 0.21 0.00 0.00 66.02 67.74 1d4b s SER 15 CO 0.56 -0.20 1.18 -0.69 0.41 0.00 0.00 173.24 174.49 1d4b s VAL 16 N 1.96 2.73 0.06 3.43 1.01 -1.26 -5.03 120.40 123.31 1d4b s VAL 16 Ca -0.08 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.35 1d4b s VAL 16 Cb -0.07 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1d4b s VAL 16 CO -0.19 -0.16 -0.10 -0.44 0.00 0.00 0.00 175.10 174.22 1d4b s SER 17 N -1.99 4.39 0.07 3.32 0.01 -1.26 -5.10 113.70 113.14 1d4b s SER 17 Ca 0.73 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 57.38 1d4b s SER 17 Cb -0.27 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1d4b s SER 17 CO 0.38 0.22 0.97 0.54 0.41 0.00 0.00 173.24 175.76 1d4b s ASN 18 N -1.84 7.45 0.00 2.44 4.22 -1.26 -4.63 114.94 121.32 1d4b s ASN 18 Ca 0.19 1.75 0.00 0.00 -2.14 0.00 0.00 52.86 52.66 1d4b s ASN 18 Cb -0.11 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.84 1d4b s ASN 18 CO 0.11 -0.13 0.00 0.00 -2.04 0.00 0.00 177.10 175.04 1d4b n ILE 19 N 3.16 0.00 -3.22 0.54 3.06 -1.26 -5.12 119.36 116.52 1d4b n ILE 19 Ca 0.03 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.89 1d4b n ILE 19 Cb 0.50 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.61 1d4b n ILE 19 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1d4b s SER 20 N 0.00 6.56 0.29 9.51 0.15 -1.26 -5.07 113.70 123.89 1d4b s SER 20 Ca 0.00 0.68 0.01 0.00 0.70 0.00 0.00 55.95 57.34 1d4b s SER 20 Cb 0.00 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 1d4b s SER 20 CO 0.00 -0.21 0.47 -0.55 1.20 0.00 0.00 173.24 174.15 1d4b s SER 21 N 1.21 6.32 -0.67 5.45 0.15 -1.26 -5.00 113.70 119.90 1d4b s SER 21 Ca 0.24 0.34 -0.03 0.00 0.70 0.00 0.00 55.95 57.20 1d4b s SER 21 Cb -0.15 -1.98 0.15 0.00 -1.71 0.00 0.00 66.02 62.33 1d4b s SER 21 CO 0.10 -0.19 2.50 1.21 1.20 0.00 0.00 173.24 178.06 1d4b n GLU 22 N -1.47 2.86 -3.30 5.44 2.13 -1.26 -4.69 120.64 120.35 1d4b n GLU 22 Ca -0.06 -2.87 -0.25 0.00 0.66 0.00 0.00 57.16 54.64 1d4b n GLU 22 Cb 0.56 -2.24 -0.09 0.00 0.27 0.00 0.00 31.44 29.94 1d4b n GLU 22 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1d4b n PHE 23 N 0.55 -1.06 -2.36 4.31 3.72 -1.26 -5.12 117.46 116.24 1d4b n PHE 23 Ca 0.51 -3.20 -0.37 0.00 -0.05 0.00 0.00 57.45 54.34 1d4b n PHE 23 Cb 0.42 0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1d4b n PHE 23 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1d4b s GLY 24 N -0.15 2.78 -0.50 1.37 0.00 -1.26 -5.00 107.32 104.56 1d4b s GLY 24 Ca 0.33 0.86 0.06 0.00 0.00 0.00 0.00 44.72 45.97 1d4b s GLY 24 CO -0.17 1.32 0.80 0.54 0.00 0.00 0.00 173.10 175.59 1d4b n ARG 25 N -0.25 0.67 -2.03 2.90 1.74 -1.26 -5.03 116.66 113.41 1d4b n ARG 25 Ca 0.06 -1.93 -0.39 0.00 -0.77 0.00 0.00 57.85 54.82 1d4b n ARG 25 Cb 0.48 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1d4b n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1d4b n ARG 26 N 2.15 4.53 -3.81 5.56 1.74 -1.26 -4.90 116.66 120.66 1d4b n ARG 26 Ca 0.13 -3.53 -0.12 0.00 -0.77 0.00 0.00 57.85 53.56 1d4b n ARG 26 Cb 0.60 -2.57 -0.10 0.00 -1.02 0.00 0.00 32.46 29.36 1d4b n ARG 26 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1d4b s VAL 27 N -1.67 0.05 -0.38 1.55 -7.23 -1.26 -5.08 120.40 106.38 1d4b s VAL 27 Ca 0.53 -0.37 0.12 0.00 -1.81 0.00 0.00 61.98 60.44 1d4b s VAL 27 Cb 0.20 -0.45 0.40 0.00 0.56 0.00 0.00 36.38 37.09 1d4b s VAL 27 CO -0.11 -0.21 1.11 0.79 -0.31 0.00 0.00 175.10 176.37 1d4b n TRP 28 N 1.96 -1.02 -4.13 2.82 7.02 -1.26 -5.10 117.44 117.73 1d4b n TRP 28 Ca -0.19 -2.49 -0.24 0.00 -1.02 0.00 0.00 57.50 53.56 1d4b n TRP 28 Cb 0.57 0.70 -0.17 0.00 -2.42 0.00 0.00 31.31 29.99 1d4b n TRP 28 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1d4b s THR 29 N -1.21 0.87 -0.30 -0.99 -4.23 -1.26 -5.09 115.64 103.42 1d4b s THR 29 Ca 0.26 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 1d4b s THR 29 Cb 0.40 -0.87 0.16 0.00 1.34 0.00 0.00 72.50 73.52 1d4b s THR 29 CO -0.04 0.32 0.39 -0.94 -0.54 0.00 0.00 174.62 173.81 1d4b s SER 30 N 1.29 0.64 -0.30 3.99 1.04 -1.26 -5.10 113.70 113.99 1d4b s SER 30 Ca -0.04 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 1d4b s SER 30 Cb -0.14 0.98 0.19 0.00 0.10 0.00 0.00 66.02 67.15 1d4b s SER 30 CO -0.03 -0.35 0.72 0.00 0.98 0.00 0.00 173.24 174.56 1d4b s ALA 31 N 2.42 -2.66 0.73 5.32 0.00 -1.26 -5.16 121.76 121.15 1d4b s ALA 31 Ca 0.10 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 1d4b s ALA 31 Cb -0.13 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.66 1d4b s ALA 31 CO -0.29 -1.51 1.08 -1.25 0.00 0.00 0.00 175.76 173.79 1d4b s PRO 32 N 2.88 2.62 0.87 0.00 0.04 -1.26 -5.03 135.00 135.12 1d4b s PRO 32 Ca 0.15 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1d4b s PRO 32 Cb -0.12 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.59 1d4b s PRO 32 CO -0.20 -1.36 1.10 -1.25 0.04 0.00 0.00 177.00 175.34 1d4b s PRO 33 N -4.88 1.49 1.07 0.56 0.04 -1.26 -5.04 135.00 126.97 1d4b s PRO 33 Ca 0.60 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 1d4b s PRO 33 Cb -0.16 -1.85 0.23 0.00 0.04 0.00 0.00 34.50 32.76 1d4b s PRO 33 CO 0.54 -2.03 1.16 -1.25 0.04 0.00 0.00 177.00 175.46 1d4b s PRO 34 N -5.10 -0.21 -0.11 0.56 0.04 -1.26 -4.66 135.00 124.26 1d4b s PRO 34 Ca 0.63 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 1d4b s PRO 34 Cb -0.16 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1d4b s PRO 34 CO 0.55 -3.05 1.35 -1.14 0.04 0.00 0.00 177.00 174.75 1d4b s GLN 35 N -5.43 4.24 -0.02 4.56 0.74 -1.26 -4.69 119.66 117.80 1d4b s GLN 35 Ca 0.70 1.80 0.03 0.00 0.05 0.00 0.00 55.36 57.94 1d4b s GLN 35 Cb -0.10 -3.76 -0.00 0.00 1.10 0.00 0.00 33.01 30.24 1d4b s GLN 35 CO 0.55 -0.69 -0.10 0.50 -0.55 0.00 0.00 175.29 175.00 1d4b s ARG 36 N 3.32 0.95 -0.80 1.67 6.06 -1.24 -4.93 118.95 123.98 1d4b s ARG 36 Ca 0.59 -0.36 -0.25 0.00 -2.50 0.00 0.00 55.73 53.21 1d4b s ARG 36 Cb -0.25 -0.90 -0.01 0.00 0.06 0.00 0.00 34.95 33.84 1d4b s ARG 36 CO 0.20 0.18 1.75 -1.25 -2.50 0.00 0.00 175.30 173.68 1d4b s PRO 37 N -0.05 2.83 -0.23 5.12 0.04 -1.26 -2.97 135.00 138.48 1d4b s PRO 37 Ca 0.01 -0.10 -0.22 0.00 0.04 0.00 0.00 61.00 60.72 1d4b s PRO 37 Cb -0.06 -4.75 -0.02 0.00 0.04 0.00 0.00 34.50 29.71 1d4b s PRO 37 CO 0.00 -2.80 0.71 -0.06 0.04 0.00 0.00 177.00 174.89 1d4b s PHE 38 N 8.34 3.32 -0.31 0.56 0.08 -0.47 -4.80 117.98 124.70 1d4b s PHE 38 Ca 0.60 0.98 -0.28 0.00 0.12 0.00 0.00 56.93 58.35 1d4b s PHE 38 Cb -0.08 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 1d4b s PHE 38 CO 0.07 -0.31 1.90 0.50 -0.10 0.00 0.00 175.22 177.29 1d4b s ARG 39 N 2.44 3.26 0.12 0.44 3.52 -1.26 -2.99 118.95 124.48 1d4b s ARG 39 Ca 0.30 1.54 0.03 0.00 -0.13 0.00 0.00 55.73 57.48 1d4b s ARG 39 Cb -0.16 -4.24 -0.04 0.00 -1.56 0.00 0.00 34.95 28.95 1d4b s ARG 39 CO 0.09 -1.95 0.15 0.08 -0.81 0.00 0.00 175.30 172.86 1d4b s VAL 40 N 7.31 4.75 0.22 7.11 1.01 -1.06 -4.07 120.40 135.68 1d4b s VAL 40 Ca 0.84 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1d4b s VAL 40 Cb -0.24 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1d4b s VAL 40 CO 0.34 -0.01 0.14 0.00 0.00 0.00 0.00 175.10 175.57 1d4b s ASP 42 N -3.20 4.41 0.00 0.00 -1.08 0.17 -3.94 116.67 113.03 1d4b s ASP 42 Ca 0.39 -1.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.05 1d4b s ASP 42 Cb 0.07 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.84 1d4b s ASP 42 CO 0.14 -0.92 0.12 1.57 0.52 0.00 0.00 175.17 176.60 1d4b n HIS 43 N -1.49 0.00 -0.00 -5.34 -0.00 -1.26 -4.42 115.22 102.70 1d4b n HIS 43 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1d4b n HIS 43 Cb 0.65 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.64 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 0.01 -0.17 1.57 3.00 -1.26 -4.94 118.16 116.08 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 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 34.32 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 -2.36 0.00 -0.12 1.64 0.63 -1.26 -4.96 116.66 110.23 1d4b n ARG 45 Ca -0.00 -0.21 -0.05 0.00 -0.92 0.00 0.00 57.85 56.67 1d4b n ARG 45 Cb 0.01 -0.16 0.02 0.00 0.45 0.00 0.00 32.46 32.78 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 3.90 0.63 -3.22 5.15 1.35 -1.92 -3.41 112.91 115.39 1d4b h THR 46 Ca 0.00 -0.01 -0.28 0.00 -0.55 0.00 0.00 66.41 65.56 1d4b h THR 46 Cb 1.04 0.60 -0.34 0.00 -1.73 0.00 0.00 68.15 67.72 1d4b h THR 46 CO 0.00 0.01 -0.64 -0.63 -0.25 0.00 0.00 175.52 174.00 1d4b s ILE 47 N -6.20 -0.14 -0.35 6.82 1.09 -1.26 -5.03 121.20 116.12 1d4b s ILE 47 Ca -0.14 0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 1d4b s ILE 47 Cb 0.14 -0.23 0.14 0.00 -1.06 0.00 0.00 42.46 41.45 1d4b s ILE 47 CO 0.71 0.12 0.22 -0.60 -0.10 0.00 0.00 174.94 175.28 1d4b s ARG 48 N 1.72 0.55 0.01 2.79 3.52 -1.26 -0.65 118.95 125.63 1d4b s ARG 48 Ca -0.03 -1.31 0.00 0.00 -0.13 0.00 0.00 55.73 54.26 1d4b s ARG 48 Cb -0.12 -1.27 -0.01 0.00 -1.56 0.00 0.00 34.95 31.98 1d4b s ARG 48 CO -0.05 -1.21 -0.02 0.21 -0.81 0.00 0.00 175.30 173.42 1d4b s LYS 49 N 1.08 0.19 -0.29 5.12 2.47 -0.96 -4.98 119.74 122.37 1d4b s LYS 49 Ca 0.18 -0.37 -0.16 0.00 -1.56 0.00 0.00 55.97 54.05 1d4b s LYS 49 Cb -0.23 0.07 -0.02 0.00 -1.46 0.00 0.00 37.83 36.19 1d4b s LYS 49 CO 0.01 -0.03 0.44 0.20 0.16 0.00 0.00 175.35 176.13 1d4b s GLY 50 N -0.90 1.86 0.30 5.54 0.00 -1.26 -2.55 107.32 110.31 1d4b s GLY 50 Ca -0.10 -0.84 0.09 0.00 0.00 0.00 0.00 44.72 43.87 1d4b s GLY 50 CO -0.01 1.12 0.10 1.08 0.00 0.00 0.00 173.10 175.39 1d4b s LEU 51 N 2.21 3.33 -0.38 0.66 1.43 -1.16 -4.83 118.68 119.93 1d4b s LEU 51 Ca 0.17 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 1d4b s LEU 51 Cb -0.16 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1d4b s LEU 51 CO 0.11 -0.14 0.45 0.42 0.23 0.00 0.00 176.35 177.41 1d4b s THR 52 N -2.34 5.07 -0.02 5.49 -4.23 -1.26 -1.37 115.64 116.98 1d4b s THR 52 Ca 0.35 -0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.85 1d4b s THR 52 Cb -0.05 -3.98 -0.00 0.00 1.34 0.00 0.00 72.50 69.81 1d4b s THR 52 CO 0.22 -0.30 -0.13 0.00 -0.54 0.00 0.00 174.62 173.87 1d4b s ALA 53 N 2.22 1.11 -0.30 3.99 0.00 -1.16 -4.88 121.76 122.75 1d4b s ALA 53 Ca 0.14 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1d4b s ALA 53 Cb -0.16 -0.33 0.10 0.00 0.00 0.00 0.00 23.12 22.73 1d4b s ALA 53 CO 0.13 0.23 0.13 0.00 0.00 0.00 0.00 175.76 176.26 1d4b s ALA 54 N -0.10 0.84 0.20 0.00 0.00 -1.26 -3.68 121.76 117.77 1d4b s ALA 54 Ca 0.01 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1d4b s ALA 54 Cb -0.07 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.63 1d4b s ALA 54 CO 0.00 -1.68 0.58 0.99 0.00 0.00 0.00 175.76 175.66 1d4b s THR 55 N 1.94 0.01 0.00 0.00 2.01 -1.26 -4.95 115.64 113.39 1d4b s THR 55 Ca 0.10 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1d4b s THR 55 Cb -0.17 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.88 1d4b s THR 55 CO -0.33 -0.07 0.00 -1.14 -0.69 0.00 0.00 174.62 172.40 1d4b n ARG 56 N -0.37 0.00 -0.07 4.92 0.63 -1.26 -4.40 116.66 116.11 1d4b n ARG 56 Ca -0.11 0.21 -0.22 0.00 -0.92 0.00 0.00 57.85 56.80 1d4b n ARG 56 Cb 0.63 -0.68 -0.12 0.00 0.45 0.00 0.00 32.46 32.74 1d4b n ARG 56 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1d4b n GLN 57 N -2.12 0.62 0.25 -0.14 7.27 -1.26 -4.05 117.38 117.95 1d4b n GLN 57 Ca 0.00 0.48 0.16 0.00 0.07 0.00 0.00 57.00 57.70 1d4b n GLN 57 Cb 0.00 -1.73 0.83 0.00 2.41 0.00 0.00 30.24 31.75 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 -0.68 0.00 -0.22 3.69 4.81 -2.00 -2.89 114.58 117.29 1d4b h GLU 58 Ca -0.38 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1d4b h GLU 58 Cb 1.53 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.84 1d4b h GLU 58 CO -0.13 0.00 -0.31 1.25 -0.73 0.00 0.00 179.01 179.09 1d4b h LEU 59 N 0.00 -0.98 -0.75 1.64 6.46 -1.77 -0.33 115.31 119.59 1d4b h LEU 59 Ca 0.00 0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1d4b h LEU 59 Cb 0.15 0.43 -0.06 0.00 -0.73 0.00 0.00 40.66 40.46 1d4b h LEU 59 CO 0.00 -0.33 0.45 0.25 -0.62 0.00 0.00 178.44 178.18 1d4b h LEU 60 N -0.33 0.69 -2.18 2.25 7.12 -1.77 0.13 115.31 121.22 1d4b h LEU 60 Ca 0.12 0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.20 1d4b h LEU 60 Cb 0.53 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1d4b h LEU 60 CO -0.41 0.45 0.27 0.00 -0.13 0.00 0.00 178.44 178.63 1d4b h ALA 61 N 1.36 1.70 0.33 1.25 0.00 -1.22 -1.94 119.26 120.74 1d4b h ALA 61 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1d4b h ALA 61 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1d4b h ALA 61 CO -0.17 -0.37 -0.16 -0.22 0.00 0.00 0.00 179.25 178.34 1d4b h LYS 62 N 0.00 -0.43 -0.47 0.00 3.11 0.24 -2.08 116.57 116.94 1d4b h LYS 62 Ca 0.09 0.03 0.14 0.00 -2.81 0.00 0.00 60.65 58.09 1d4b h LYS 62 Cb 0.63 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1d4b h LYS 62 CO -0.00 -0.25 0.52 0.00 -2.81 0.00 0.00 179.45 176.91 1d4b h ALA 63 N 0.14 2.19 -0.56 5.00 0.00 -1.42 0.25 119.26 124.86 1d4b h ALA 63 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d4b h ALA 63 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1d4b h ALA 63 CO 0.08 -0.76 0.00 1.28 0.00 0.00 0.00 179.25 179.85 1d4b n LEU 64 N -3.65 0.48 0.15 0.00 7.99 -0.81 -4.08 117.00 117.08 1d4b n LEU 64 Ca 0.09 0.48 0.12 0.00 -0.01 0.00 0.00 56.01 56.69 1d4b n LEU 64 Cb 0.71 -0.41 0.56 0.00 -0.11 0.00 0.00 43.42 44.16 1d4b n LEU 64 CO 0.27 -0.41 0.86 -0.08 -1.51 0.00 0.00 177.39 176.52 1d4b h GLU 65 N 0.00 0.00 -0.71 3.23 4.22 -1.34 -3.18 114.58 116.80 1d4b h GLU 65 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.59 1d4b h GLU 65 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1d4b h GLU 65 CO 0.00 0.00 0.19 0.00 -2.18 0.00 0.00 179.01 177.02 1d4b h THR 66 N 0.00 0.56 0.00 0.32 1.03 -0.64 -3.29 112.91 110.90 1d4b h THR 66 Ca 0.00 -0.10 -0.36 0.00 -0.01 0.00 0.00 66.41 65.93 1d4b h THR 66 Cb 0.22 0.24 -0.05 0.00 -1.07 0.00 0.00 68.15 67.48 1d4b h THR 66 CO 0.00 0.05 -2.20 0.18 -0.01 0.00 0.00 175.52 173.54 1d4b n LEU 67 N -5.13 1.87 -4.08 0.00 4.77 -1.21 -5.04 117.00 108.18 1d4b n LEU 67 Ca 0.13 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1d4b n LEU 67 Cb 0.42 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 1d4b n LEU 67 CO 0.14 0.40 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.47 1d4b s LEU 68 N -7.51 2.39 -0.28 2.23 2.01 -1.20 -5.12 118.68 111.20 1d4b s LEU 68 Ca -0.35 -0.80 -0.23 0.00 0.01 0.00 0.00 54.13 52.76 1d4b s LEU 68 Cb 0.12 0.05 -0.01 0.00 0.01 0.00 0.00 46.19 46.36 1d4b s LEU 68 CO 0.45 -0.42 0.76 -1.48 1.01 0.00 0.00 176.35 176.67 1d4b s LEU 69 N -2.35 4.08 0.02 1.79 0.05 -1.26 -3.32 118.68 117.70 1d4b s LEU 69 Ca -0.01 0.77 0.00 0.00 0.05 0.00 0.00 54.13 54.94 1d4b s LEU 69 Cb -0.00 -3.05 -0.02 0.00 -2.05 0.00 0.00 46.19 41.07 1d4b s LEU 69 CO -0.05 -0.53 -0.03 0.21 -0.55 0.00 0.00 176.35 175.40 1d4b s ASN 70 N 1.51 0.27 -0.08 1.48 2.47 -1.26 -5.03 114.94 114.30 1d4b s ASN 70 Ca 0.31 -0.47 -0.23 0.00 0.42 0.00 0.00 52.86 52.90 1d4b s ASN 70 Cb -0.15 0.09 -0.30 0.00 -1.45 0.00 0.00 41.25 39.45 1d4b s ASN 70 CO 0.10 -0.27 0.81 1.23 -3.72 0.00 0.00 177.10 175.25 1d4b h GLY 71 N 4.73 0.26 -6.17 1.21 0.00 -2.01 -3.46 103.07 97.63 1d4b h GLY 71 Ca -0.32 -0.67 -0.40 0.00 0.00 0.00 0.00 47.33 45.95 1d4b h GLY 71 CO 0.42 0.59 -0.77 0.14 0.00 0.00 0.00 176.54 176.91 1d4b s VAL 72 N -2.39 0.49 -0.00 4.60 1.01 -1.26 -5.14 120.40 117.71 1d4b s VAL 72 Ca -0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1d4b s VAL 72 Cb 0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1d4b s VAL 72 CO 0.79 0.21 0.03 -0.22 0.00 0.00 0.00 175.10 175.91 1d4b s LEU 73 N 0.84 1.95 -0.25 3.92 1.98 -1.26 -5.11 118.68 120.75 1d4b s LEU 73 Ca -0.11 -0.12 -0.25 0.00 -2.89 0.00 0.00 54.13 50.76 1d4b s LEU 73 Cb -0.14 0.16 -0.00 0.00 0.66 0.00 0.00 46.19 46.87 1d4b s LEU 73 CO 0.00 -0.12 0.87 0.42 -1.89 0.00 0.00 176.35 175.63 1d4b s THR 74 N -0.52 4.79 0.15 3.68 -4.23 -1.23 -5.01 115.64 113.27 1d4b s THR 74 Ca -0.06 1.62 -0.18 0.00 -1.18 0.00 0.00 61.69 61.89 1d4b s THR 74 Cb -0.04 -4.17 -0.07 0.00 1.34 0.00 0.00 72.50 69.56 1d4b s THR 74 CO -0.00 -0.13 0.63 -0.76 -0.54 0.00 0.00 174.62 173.82 1d4b s LEU 75 N 2.95 4.41 0.20 4.79 1.02 -0.88 -3.60 118.68 127.57 1d4b s LEU 75 Ca 0.37 1.28 -0.06 0.00 0.02 0.00 0.00 54.13 55.74 1d4b s LEU 75 Cb -0.15 -3.27 -0.02 0.00 0.02 0.00 0.00 46.19 42.77 1d4b s LEU 75 CO 0.08 0.14 0.25 0.68 0.02 0.00 0.00 176.35 177.52 1d4b s VAL 76 N -1.36 0.02 0.03 -1.59 -7.23 -1.22 0.48 120.40 109.53 1d4b s VAL 76 Ca 0.37 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1d4b s VAL 76 Cb -0.17 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1d4b s VAL 76 CO 0.20 -0.10 -0.07 -1.48 -0.31 0.00 0.00 175.10 173.34 1d4b s LEU 77 N -3.07 2.20 0.04 1.32 0.05 -1.16 -3.90 118.68 114.16 1d4b s LEU 77 Ca 0.29 -0.45 0.23 0.00 0.05 0.00 0.00 54.13 54.24 1d4b s LEU 77 Cb 0.04 -0.16 -0.01 0.00 -2.05 0.00 0.00 46.19 44.01 1d4b s LEU 77 CO 0.08 -0.16 0.97 1.21 -0.55 0.00 0.00 176.35 177.91 1d4b n GLU 78 N 1.79 0.28 0.02 1.48 2.13 -1.26 -3.27 120.64 121.82 1d4b n GLU 78 Ca -0.21 -0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.55 1d4b n GLU 78 Cb 0.55 -1.58 -0.03 0.00 0.27 0.00 0.00 31.44 30.66 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 -0.19 0.00 5.31 4.81 -1.98 -3.31 114.58 119.22 1d4b h GLU 79 Ca 0.00 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1d4b h GLU 79 Cb 0.72 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1d4b h GLU 79 CO 0.00 -0.13 -2.08 -3.47 -0.73 0.00 0.00 179.01 172.60 1d4b n ASP 80 N -3.29 0.20 -0.73 1.04 2.03 -1.26 -5.03 116.55 109.50 1d4b n ASP 80 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1d4b n ASP 80 Cb 0.11 1.65 0.00 0.00 -0.72 0.00 0.00 41.12 42.16 1d4b n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d4b n GLY 81 N 1.47 0.55 3.14 0.27 0.00 -1.20 -5.12 105.19 104.29 1d4b n GLY 81 Ca -0.13 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 0.14 0.47 2.61 2.01 -1.23 -5.03 115.64 112.12 1d4b s THR 82 Ca 0.00 -1.86 -0.04 0.00 0.31 0.00 0.00 61.69 60.10 1d4b s THR 82 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1d4b s THR 82 CO 0.00 -0.61 0.76 0.00 -0.69 0.00 0.00 174.62 174.07 1d4b s ALA 83 N -4.01 3.45 -0.08 7.40 0.00 -1.26 -2.97 121.76 124.29 1d4b s ALA 83 Ca 0.19 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1d4b s ALA 83 Cb 0.07 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1d4b s ALA 83 CO -0.02 -0.33 0.19 0.08 0.00 0.00 0.00 175.76 175.68 1d4b s VAL 84 N -2.69 -0.04 0.00 0.00 1.01 0.18 -4.92 120.40 113.93 1d4b s VAL 84 Ca 0.47 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1d4b s VAL 84 Cb -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1d4b s VAL 84 CO 0.44 0.07 0.87 -0.90 0.00 0.00 0.00 175.10 175.57 1d4b n ASP 85 N 4.18 0.00 -3.59 3.32 5.75 -1.26 -2.08 116.55 122.88 1d4b n ASP 85 Ca -0.26 -1.74 -0.14 0.00 -0.01 0.00 0.00 54.79 52.64 1d4b n ASP 85 Cb 0.52 -0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 1d4b n ASP 85 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1d4b s SER 86 N -0.74 0.75 0.24 -1.12 1.04 -1.26 -5.01 113.70 107.60 1d4b s SER 86 Ca 0.00 -1.43 0.18 0.00 0.48 0.00 0.00 55.95 55.18 1d4b s SER 86 Cb 0.00 0.57 0.92 0.00 0.10 0.00 0.00 66.02 67.61 1d4b s SER 86 CO -0.00 -1.13 1.55 1.21 0.98 0.00 0.00 173.24 175.85 1d4b n GLU 87 N -0.49 0.12 0.00 4.02 2.13 -1.26 -2.08 120.64 123.09 1d4b n GLU 87 Ca 0.02 0.55 0.03 0.00 0.66 0.00 0.00 57.16 58.42 1d4b n GLU 87 Cb 0.63 -1.85 0.12 0.00 0.27 0.00 0.00 31.44 30.61 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 -2.09 0.00 0.00 4.31 -0.08 -1.26 -3.98 116.55 113.45 1d4b n ASP 88 Ca -0.00 0.47 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1d4b n ASP 88 Cb 0.07 -0.48 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 -1.48 0.00 0.31 -0.67 7.35 -0.88 0.73 117.46 122.81 1d4b n PHE 89 Ca 0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.88 1d4b n PHE 89 Cb 0.06 -0.15 1.01 0.00 0.35 0.00 0.00 39.48 40.76 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 -1.89 0.40 116.94 110.36 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 -0.28 0.00 -0.03 0.94 -0.60 0.00 0.00 178.31 178.34 1d4b n GLN 91 N -3.56 0.12 0.06 1.51 7.27 0.53 -3.26 117.38 120.05 1d4b n GLN 91 Ca -0.03 -0.01 0.12 0.00 0.07 0.00 0.00 57.00 57.15 1d4b n GLN 91 Cb 0.10 -1.50 0.12 0.00 2.41 0.00 0.00 30.24 31.37 1d4b n GLN 91 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1d4b h LEU 92 N 0.02 0.00 -9.03 1.69 6.46 0.26 -3.47 115.31 111.24 1d4b h LEU 92 Ca 0.00 -0.23 -0.44 0.00 -0.12 0.00 0.00 57.88 57.09 1d4b h LEU 92 Cb 0.45 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.23 1d4b h LEU 92 CO 0.00 0.12 -0.67 -0.76 -0.62 0.00 0.00 178.44 176.51 1d4b s LEU 93 N -4.27 2.36 1.26 2.25 1.02 -1.20 -5.10 118.68 115.01 1d4b s LEU 93 Ca 0.05 -1.20 -0.18 0.00 0.02 0.00 0.00 54.13 52.81 1d4b s LEU 93 Cb 0.13 -0.48 0.31 0.00 0.02 0.00 0.00 46.19 46.17 1d4b s LEU 93 CO 0.75 -0.42 1.02 -0.70 0.02 0.00 0.00 176.35 177.02 1d4b s GLU 94 N -3.79 -1.69 -0.00 1.70 2.12 -1.26 -4.84 118.70 110.94 1d4b s GLU 94 Ca 0.29 0.27 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 1d4b s GLU 94 Cb 0.05 -1.51 -0.07 0.00 0.26 0.00 0.00 34.13 32.85 1d4b s GLU 94 CO 0.10 -4.09 1.75 0.34 -0.54 0.00 0.00 175.26 172.82 1d4b s ASP 95 N -3.24 6.59 0.15 -1.70 2.15 -1.26 -4.92 116.67 114.44 1d4b s ASP 95 Ca 0.69 2.42 -0.24 0.00 0.43 0.00 0.00 52.55 55.85 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 -0.96 1.04 1.51 -0.17 0.00 0.00 175.17 177.18 1d4b s ASP 96 N 3.46 -0.06 -0.32 -0.34 1.47 -1.26 -5.12 116.67 114.49 1d4b s ASP 96 Ca 0.78 -0.52 0.03 0.00 1.18 0.00 0.00 52.55 54.02 1d4b s ASP 96 Cb -0.37 0.46 0.09 0.00 -0.34 0.00 0.00 42.92 42.75 1d4b s ASP 96 CO 0.34 -0.88 0.02 -0.89 0.68 0.00 0.00 175.17 174.43 1d4b s THR 97 N -2.58 2.32 -0.03 2.11 2.01 -1.26 -5.06 115.64 113.15 1d4b s THR 97 Ca 0.18 -2.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.02 1d4b s THR 97 Cb -0.01 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.89 1d4b s THR 97 CO 0.03 -0.46 0.06 0.00 -0.69 0.00 0.00 174.62 173.55 1d4b s LEU 99 N 0.61 1.73 -0.08 0.00 1.98 -1.26 -4.91 118.68 116.74 1d4b s LEU 99 Ca -0.05 0.08 -0.05 0.00 -2.89 0.00 0.00 54.13 51.22 1d4b s LEU 99 Cb -0.07 0.12 0.03 0.00 0.66 0.00 0.00 46.19 46.94 1d4b s LEU 99 CO -0.02 -0.03 0.20 -0.32 -1.89 0.00 0.00 176.35 174.29 1d4b s MET 100 N 0.17 0.19 -0.15 1.98 1.75 -1.25 -3.53 119.30 118.45 1d4b s MET 100 Ca -0.01 0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.79 1d4b s MET 100 Cb -0.02 -0.05 0.05 0.00 2.84 0.00 0.00 34.83 37.66 1d4b s MET 100 CO -0.00 -0.11 0.04 0.08 -0.65 0.00 0.00 175.02 174.37 1d4b s VAL 101 N 0.79 0.32 0.30 10.11 1.01 -1.26 -3.45 120.40 128.22 1d4b s VAL 101 Ca -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1d4b s VAL 101 Cb -0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1d4b s VAL 101 CO -0.04 -0.09 0.41 -1.48 0.00 0.00 0.00 175.10 173.89 1d4b s LEU 102 N 1.96 0.93 0.55 3.92 0.05 -1.24 -4.61 118.68 120.24 1d4b s LEU 102 Ca 0.01 -1.36 -0.12 0.00 0.05 0.00 0.00 54.13 52.71 1d4b s LEU 102 Cb -0.15 1.30 -0.06 0.00 -2.05 0.00 0.00 46.19 45.23 1d4b s LEU 102 CO -0.07 -1.17 0.97 -1.58 -0.55 0.00 0.00 176.35 173.95 1d4b s GLN 103 N -3.48 3.73 1.17 1.48 0.74 -1.26 -3.48 119.66 118.56 1d4b s GLN 103 Ca 0.31 0.75 -0.14 0.00 0.05 0.00 0.00 55.36 56.33 1d4b s GLN 103 Cb 0.01 -2.15 0.27 0.00 1.10 0.00 0.00 33.01 32.23 1d4b s GLN 103 CO 0.17 -0.38 0.87 -1.13 -0.55 0.00 0.00 175.29 174.27 1d4b n SER 104 N -2.16 -1.83 -1.94 6.67 3.41 -1.26 -3.97 113.62 112.55 1d4b n SER 104 Ca 0.05 -0.16 -0.10 0.00 -0.26 0.00 0.00 58.87 58.40 1d4b n SER 104 Cb 0.54 -1.22 0.04 0.00 -0.26 0.00 0.00 64.21 63.31 1d4b n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d4b n GLY 105 N 1.16 0.24 2.83 5.00 0.00 -1.26 -5.04 105.19 108.12 1d4b n GLY 105 Ca 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.43 -0.01 0.46 1.61 0.74 -1.25 -5.16 119.66 110.62 1d4b s GLN 106 Ca 0.22 0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.77 1d4b s GLN 106 Cb -0.10 -0.12 -0.02 0.00 1.10 0.00 0.00 33.01 33.87 1d4b s GLN 106 CO 0.33 -0.08 0.20 -1.12 -0.55 0.00 0.00 175.29 174.08 1d4b s SER 107 N 0.49 4.42 0.42 6.67 0.01 -1.26 -5.10 113.70 119.35 1d4b s SER 107 Ca -0.04 -1.22 -0.19 0.00 1.31 0.00 0.00 55.95 55.82 1d4b s SER 107 Cb -0.06 -0.10 -0.10 0.00 0.21 0.00 0.00 66.02 65.97 1d4b s SER 107 CO -0.01 -0.73 0.90 0.26 0.41 0.00 0.00 173.24 174.07 1d4b s TRP 108 N -2.69 3.35 -0.46 2.43 0.51 -1.26 -5.02 118.94 115.81 1d4b s TRP 108 Ca 0.33 1.48 -0.19 0.00 -2.12 0.00 0.00 56.10 55.61 1d4b s TRP 108 Cb 0.02 -2.76 0.04 0.00 -0.81 0.00 0.00 33.47 29.96 1d4b s TRP 108 CO 0.19 -0.11 0.55 -1.12 -0.51 0.00 0.00 176.95 175.95 1d4b s SER 109 N -2.37 6.23 1.01 2.95 0.01 -1.26 -5.05 113.70 115.21 1d4b s SER 109 Ca 0.59 -0.72 -0.13 0.00 1.31 0.00 0.00 55.95 57.00 1d4b s SER 109 Cb -0.09 -2.27 0.19 0.00 0.21 0.00 0.00 66.02 64.06 1d4b s SER 109 CO 0.17 -0.74 1.12 -2.16 0.41 0.00 0.00 173.24 172.04 1d4b s PRO 110 N 2.45 0.34 -0.77 12.44 0.04 -1.26 -4.95 135.00 143.29 1d4b s PRO 110 Ca 0.15 0.32 -0.23 0.00 0.04 0.00 0.00 61.00 61.28 1d4b s PRO 110 Cb -0.17 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1d4b s PRO 110 CO 0.14 -2.75 1.11 0.99 0.04 0.00 0.00 177.00 176.53 1d4b s THR 111 N -3.09 4.26 0.29 1.26 2.01 -1.26 -5.01 115.64 114.09 1d4b s THR 111 Ca 0.66 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1d4b s THR 111 Cb -0.16 -4.79 -0.09 0.00 0.01 0.00 0.00 72.50 67.47 1d4b s THR 111 CO 0.56 -1.59 1.07 -0.13 -0.69 0.00 0.00 174.62 173.83 1d4b s ARG 112 N 4.17 4.62 -0.37 4.92 0.52 -1.26 -4.95 118.95 126.60 1d4b s ARG 112 Ca 0.29 1.71 0.11 0.00 -0.52 0.00 0.00 55.73 57.33 1d4b s ARG 112 Cb -0.11 -3.13 0.40 0.00 0.52 0.00 0.00 34.95 32.64 1d4b s ARG 112 CO 0.05 0.22 1.44 0.43 0.02 0.00 0.00 175.30 177.46 1d4b n SER 113 N 1.09 -1.55 0.00 0.23 7.64 -1.26 -5.13 113.62 114.64 1d4b n SER 113 Ca -0.01 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1d4b n SER 113 Cb 0.46 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 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 -1.07 -0.50 3.36 0.23 0.00 -1.26 -5.12 105.19 100.82 1d4b n GLY 114 Ca -0.10 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1d4b n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d4b s VAL 115 N -4.00 2.60 -0.26 1.61 1.01 -1.26 -5.02 120.40 115.08 1d4b s VAL 115 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1d4b s VAL 115 Cb 0.00 -2.01 -0.16 0.00 0.00 0.00 0.00 36.38 34.21 1d4b s VAL 115 CO 0.00 0.57 -0.23 0.18 0.00 0.00 0.00 175.10 175.61 1d4b n LEU 116 N 2.87 2.78 -3.73 3.92 4.32 -1.26 -5.02 117.00 120.89 1d4b n LEU 116 Ca -0.17 -0.04 -0.14 0.00 -0.02 0.00 0.00 56.01 55.64 1d4b n LEU 116 Cb 0.52 -0.90 -0.09 0.00 -1.62 0.00 0.00 43.42 41.33 1d4b n LEU 116 CO 0.27 0.87 0.09 -1.38 -1.22 0.00 0.00 177.39 176.01 1d4b s HIS 117 N -2.52 -0.34 -0.20 -1.77 -3.43 -1.26 -5.06 115.29 100.72 1d4b s HIS 117 Ca -0.35 0.70 0.09 0.00 -0.80 0.00 0.00 55.06 54.70 1d4b s HIS 117 Cb 0.10 0.15 -0.22 0.00 -1.43 0.00 0.00 32.58 31.18 1d4b s HIS 117 CO 0.58 -0.33 0.04 0.72 -2.00 0.00 0.00 174.74 173.75 1d4b n HIS 118 N 1.93 0.23 -3.46 0.38 8.25 -1.26 -5.03 115.22 116.26 1d4b n HIS 118 Ca -0.18 0.06 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 1d4b n HIS 118 Cb 0.57 -1.04 -0.03 0.00 1.12 0.00 0.00 29.99 30.61 1d4b n HIS 118 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1d4b s HIS 119 N -2.52 -0.54 -0.00 4.41 2.46 -1.26 -5.17 115.29 112.67 1d4b s HIS 119 Ca -0.21 0.48 0.07 0.00 0.47 0.00 0.00 55.06 55.87 1d4b s HIS 119 Cb 0.07 0.50 -0.02 0.00 -0.13 0.00 0.00 32.58 33.01 1d4b s HIS 119 CO 0.73 -0.78 -0.21 -1.01 -2.47 0.00 0.00 174.74 171.00 1d4b s HIS 120 N -3.15 1.92 0.62 3.88 3.76 -1.26 -5.12 115.29 115.94 1d4b s HIS 120 Ca -0.02 -0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 54.36 1d4b s HIS 120 Cb -0.01 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 1d4b s HIS 120 CO -0.08 -0.00 1.14 -1.01 -0.85 0.00 0.00 174.74 173.94 1d4b s HIS 121 N -0.57 2.54 -2.95 1.40 3.76 -1.26 -5.32 115.29 112.90 1d4b s HIS 121 Ca 0.08 1.55 0.24 0.00 -0.15 0.00 0.00 55.06 56.79 1d4b s HIS 121 Cb -0.08 -3.28 0.28 0.00 1.11 0.00 0.00 32.58 30.61 1d4b s HIS 121 CO -0.00 -1.82 1.31 1.58 -0.85 0.00 0.00 174.74 174.96