#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bx4 s PRO 3 N 0.00 0.83 0.30 0.00 0.04 -1.26 -4.86 135.00 130.05 3bx4 s PRO 3 Ca 0.00 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 3bx4 s PRO 3 Cb 0.00 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 3bx4 s PRO 3 CO 0.00 -2.47 1.34 0.43 0.04 0.00 0.00 177.00 176.33 3bx4 n SER 4 N -4.00 2.73 0.00 6.66 7.64 -1.26 -1.40 113.62 123.98 3bx4 n SER 4 Ca 0.06 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3bx4 n SER 4 Cb 0.57 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 3bx4 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bx4 n GLY 5 N 1.40 2.26 3.65 0.23 0.00 -1.26 -5.04 105.19 106.44 3bx4 n GLY 5 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3bx4 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bx4 s TRP 6 N -3.10 2.83 0.00 1.61 0.52 -0.50 -4.78 118.94 115.52 3bx4 s TRP 6 Ca 0.00 -0.13 0.08 0.00 0.02 0.00 0.00 56.10 56.06 3bx4 s TRP 6 Cb 0.00 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.90 3bx4 s TRP 6 CO 0.00 0.50 -0.24 -1.12 0.02 0.00 0.00 176.95 176.11 3bx4 s SER 7 N -2.76 2.87 -0.06 2.95 0.01 0.68 -4.67 113.70 112.73 3bx4 s SER 7 Ca 0.26 -0.48 -0.09 0.00 1.31 0.00 0.00 55.95 56.95 3bx4 s SER 7 Cb -0.10 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 3bx4 s SER 7 CO 0.18 0.27 0.25 -0.55 0.41 0.00 0.00 173.24 173.79 3bx4 s SER 8 N -0.80 6.54 -0.25 2.44 0.15 -1.26 -1.28 113.70 119.24 3bx4 s SER 8 Ca 0.10 0.63 -0.09 0.00 0.70 0.00 0.00 55.95 57.29 3bx4 s SER 8 Cb -0.09 -2.13 0.11 0.00 -1.71 0.00 0.00 66.02 62.20 3bx4 s SER 8 CO 0.00 0.35 0.54 -0.47 1.20 0.00 0.00 173.24 174.87 3bx4 s TYR 9 N -1.11 -1.07 -1.40 3.44 5.04 -0.22 -4.99 117.35 117.05 3bx4 s TYR 9 Ca 0.20 1.94 -0.10 0.00 -2.44 0.00 0.00 57.07 56.67 3bx4 s TYR 9 Cb -0.14 0.57 0.01 0.00 0.35 0.00 0.00 41.96 42.75 3bx4 s TYR 9 CO 0.09 -0.57 0.34 0.39 -1.34 0.00 0.00 175.55 174.47 3bx4 n GLU 10 N 5.32 -1.43 -0.99 4.97 1.02 -1.26 -1.07 120.64 127.20 3bx4 n GLU 10 Ca -0.11 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3bx4 n GLU 10 Cb 0.50 -3.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.28 3bx4 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bx4 n GLY 11 N -2.23 0.62 3.39 0.62 0.00 -1.26 -5.01 105.19 101.32 3bx4 n GLY 11 Ca -0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 3bx4 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bx4 s HIS 12 N -2.52 1.85 -0.04 1.61 3.76 -0.23 -1.45 115.29 118.28 3bx4 s HIS 12 Ca 0.00 -0.63 0.05 0.00 -0.15 0.00 0.00 55.06 54.33 3bx4 s HIS 12 Cb 0.00 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 3bx4 s HIS 12 CO 0.00 0.33 -0.18 0.00 -0.85 0.00 0.00 174.74 174.04 3bx4 s TYR 14 N -0.10 0.97 -0.17 0.00 2.02 -0.40 -0.82 117.35 118.85 3bx4 s TYR 14 Ca -0.01 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 3bx4 s TYR 14 Cb -0.11 -0.58 0.06 0.00 -0.40 0.00 0.00 41.96 40.94 3bx4 s TYR 14 CO 0.02 -0.00 0.39 0.21 -1.57 0.00 0.00 175.55 174.59 3bx4 s LYS 15 N -1.16 0.35 0.33 -0.62 2.20 -0.69 -0.23 119.74 119.91 3bx4 s LYS 15 Ca -0.02 0.81 -0.13 0.00 -0.36 0.00 0.00 55.97 56.28 3bx4 s LYS 15 Cb -0.08 0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 3bx4 s LYS 15 CO 0.01 -0.18 0.71 -1.25 -0.36 0.00 0.00 175.35 174.27 3bx4 s PRO 16 N 1.68 3.90 -0.05 4.03 0.04 -1.26 -1.11 135.00 142.22 3bx4 s PRO 16 Ca -0.07 0.53 -0.00 0.00 0.04 0.00 0.00 61.00 61.49 3bx4 s PRO 16 Cb -0.09 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.01 3bx4 s PRO 16 CO -0.12 0.14 -0.01 -0.06 0.04 0.00 0.00 177.00 176.99 3bx4 s PHE 17 N -2.06 0.58 -2.31 0.56 0.08 0.29 -4.97 117.98 110.14 3bx4 s PHE 17 Ca 0.52 -0.12 0.27 0.00 0.12 0.00 0.00 56.93 57.72 3bx4 s PHE 17 Cb -0.10 -0.65 0.86 0.00 -0.57 0.00 0.00 43.02 42.56 3bx4 s PHE 17 CO 0.22 -0.23 1.63 -1.71 -0.10 0.00 0.00 175.22 175.03 3bx4 n ASN 18 N 4.58 1.50 -4.64 1.36 4.05 -1.26 -1.78 115.26 119.06 3bx4 n ASN 18 Ca -0.17 -1.36 -0.43 0.00 0.45 0.00 0.00 54.58 53.07 3bx4 n ASN 18 Cb 0.50 0.05 -0.02 0.00 1.23 0.00 0.00 39.78 41.55 3bx4 n ASN 18 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3bx4 s GLU 19 N -2.16 4.08 0.11 1.20 8.01 -1.26 -4.72 118.70 123.96 3bx4 s GLU 19 Ca 0.33 1.36 -0.31 0.00 0.01 0.00 0.00 54.97 56.35 3bx4 s GLU 19 Cb 0.20 -3.79 -0.09 0.00 -4.31 0.00 0.00 34.13 26.14 3bx4 s GLU 19 CO 0.39 -0.90 1.55 -2.14 0.01 0.00 0.00 175.26 174.17 3bx4 s PRO 20 N 3.77 4.23 0.05 0.39 0.02 -1.26 -4.60 135.00 137.60 3bx4 s PRO 20 Ca 0.53 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.82 3bx4 s PRO 20 Cb -0.17 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3bx4 s PRO 20 CO 0.17 -0.61 -0.04 0.15 -0.33 0.00 0.00 177.00 176.34 3bx4 s LYS 21 N 1.70 0.59 0.96 5.54 1.02 -0.15 -4.79 119.74 124.60 3bx4 s LYS 21 Ca 0.70 -1.09 -0.13 0.00 0.02 0.00 0.00 55.97 55.47 3bx4 s LYS 21 Cb -0.40 0.07 0.16 0.00 -0.52 0.00 0.00 37.83 37.14 3bx4 s LYS 21 CO 0.31 -0.07 1.13 0.54 -0.92 0.00 0.00 175.35 176.34 3bx4 s ASN 22 N -2.56 3.07 0.13 2.83 2.20 -1.25 -0.58 114.94 118.78 3bx4 s ASN 22 Ca 0.02 0.99 -0.18 0.00 -0.94 0.00 0.00 52.86 52.76 3bx4 s ASN 22 Cb 0.03 -1.57 -0.03 0.00 -2.00 0.00 0.00 41.25 37.68 3bx4 s ASN 22 CO -0.06 -2.83 1.73 -0.25 -2.94 0.00 0.00 177.10 172.75 3bx4 h TRP 23 N -1.69 0.43 -0.54 1.54 7.01 -1.61 0.72 115.95 121.81 3bx4 h TRP 23 Ca -0.52 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.38 3bx4 h TRP 23 Cb 1.33 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 28.23 3bx4 h TRP 23 CO 0.15 0.34 -0.03 0.00 -2.79 0.00 0.00 178.44 176.11 3bx4 h ALA 24 N 1.05 0.74 -0.35 2.65 0.00 -1.93 -1.02 119.26 120.39 3bx4 h ALA 24 Ca 0.11 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3bx4 h ALA 24 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3bx4 h ALA 24 CO -0.02 0.59 -0.32 -0.44 0.00 0.00 0.00 179.25 179.07 3bx4 h ASP 25 N 0.86 0.81 -0.33 0.00 3.45 -1.87 -0.62 116.42 118.72 3bx4 h ASP 25 Ca 0.15 -0.33 -0.00 0.00 0.43 0.00 0.00 57.03 57.27 3bx4 h ASP 25 Cb 0.58 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 3bx4 h ASP 25 CO 0.03 1.06 0.20 0.00 -1.57 0.00 0.00 179.24 178.96 3bx4 h ALA 26 N 0.98 0.42 -0.49 3.45 0.00 -0.52 -0.78 119.26 122.32 3bx4 h ALA 26 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bx4 h ALA 26 Cb 0.85 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3bx4 h ALA 26 CO 0.07 -0.08 0.25 1.49 0.00 0.00 0.00 179.25 180.99 3bx4 h GLU 27 N 0.42 0.70 -0.56 0.00 4.57 -1.06 -0.84 114.58 117.81 3bx4 h GLU 27 Ca 0.12 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3bx4 h GLU 27 Cb 0.02 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 3bx4 h GLU 27 CO -0.02 0.56 0.36 -0.09 -1.18 0.00 0.00 179.01 178.64 3bx4 h ARG 28 N 0.65 0.74 -0.70 1.92 2.43 -1.06 -1.84 114.38 116.52 3bx4 h ARG 28 Ca 0.17 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3bx4 h ARG 28 Cb 0.08 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3bx4 h ARG 28 CO -0.02 0.51 0.43 0.35 -1.51 0.00 0.00 179.97 179.72 3bx4 h PHE 29 N 0.75 0.81 -0.82 2.20 3.04 -0.61 -1.79 116.94 120.52 3bx4 h PHE 29 Ca 0.20 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.18 3bx4 h PHE 29 Cb -0.06 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.14 3bx4 h PHE 29 CO -0.03 0.45 0.52 0.00 -2.02 0.00 0.00 178.31 177.22 3bx4 h LYS 31 N 1.12 0.08 -0.01 0.00 1.57 -0.72 -1.59 116.57 117.02 3bx4 h LYS 31 Ca 0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3bx4 h LYS 31 Cb -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3bx4 h LYS 31 CO -0.06 0.17 -0.18 1.28 -0.57 0.00 0.00 179.45 180.09 3bx4 n LEU 32 N -4.40 1.00 -4.77 2.94 4.77 -0.73 -4.30 117.00 111.52 3bx4 n LEU 32 Ca -0.02 -0.26 -0.32 0.00 -0.03 0.00 0.00 56.01 55.38 3bx4 n LEU 32 Cb 0.18 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3bx4 n LEU 32 CO 0.36 0.18 0.73 -1.10 -1.33 0.00 0.00 177.39 176.23 3bx4 s GLN 33 N -2.40 2.60 0.25 3.23 -1.52 -1.07 -4.95 119.66 115.80 3bx4 s GLN 33 Ca 0.28 1.35 -0.10 0.00 -1.95 0.00 0.00 55.36 54.93 3bx4 s GLN 33 Cb 0.20 -1.93 0.36 0.00 -0.22 0.00 0.00 33.01 31.42 3bx4 s GLN 33 CO 0.48 -1.40 1.59 -1.35 -0.25 0.00 0.00 175.29 174.35 3bx4 h PRO 34 N -0.33 0.00 -5.24 2.91 0.11 -1.91 -3.09 132.00 124.45 3bx4 h PRO 34 Ca -0.46 -0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.01 3bx4 h PRO 34 Cb 1.24 -0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 3bx4 h PRO 34 CO 0.53 0.00 -0.05 0.15 -0.21 0.00 0.00 178.00 178.42 3bx4 s LYS 35 N -6.25 3.63 -0.12 1.05 -0.14 -1.26 -5.02 119.74 111.63 3bx4 s LYS 35 Ca -0.15 -0.15 -0.36 0.00 -1.36 0.00 0.00 55.97 53.96 3bx4 s LYS 35 Cb 0.24 -3.80 -0.13 0.00 -1.68 0.00 0.00 37.83 32.45 3bx4 s LYS 35 CO 0.76 -0.64 1.80 1.58 -0.76 0.00 0.00 175.35 178.10 3bx4 n HIS 36 N 5.74 2.22 -4.47 3.18 -0.00 -1.17 -4.94 115.22 115.78 3bx4 n HIS 36 Ca -0.05 0.19 -0.22 0.00 -0.00 0.00 0.00 57.72 57.63 3bx4 n HIS 36 Cb 0.49 -2.59 -0.06 0.00 -0.00 0.00 0.00 29.99 27.83 3bx4 n HIS 36 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3bx4 n SER 37 N 5.92 1.74 -4.16 0.26 3.41 -0.62 -4.82 113.62 115.33 3bx4 n SER 37 Ca 0.23 -2.79 -0.10 0.00 -0.26 0.00 0.00 58.87 55.95 3bx4 n SER 37 Cb 0.24 0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 64.78 3bx4 n SER 37 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3bx4 s HIS 38 N -2.71 0.89 0.59 7.33 3.76 -0.76 -2.29 115.29 122.10 3bx4 s HIS 38 Ca 0.12 -1.08 -0.18 0.00 -0.15 0.00 0.00 55.06 53.76 3bx4 s HIS 38 Cb 0.01 -0.52 -0.06 0.00 1.11 0.00 0.00 32.58 33.11 3bx4 s HIS 38 CO 0.09 -0.34 0.83 1.28 -0.85 0.00 0.00 174.74 175.74 3bx4 n LEU 39 N -0.08 2.80 -4.77 0.89 4.77 -1.26 -0.86 117.00 118.49 3bx4 n LEU 39 Ca -0.09 0.78 -0.40 0.00 -0.03 0.00 0.00 56.01 56.27 3bx4 n LEU 39 Cb 0.62 -1.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.40 3bx4 n LEU 39 CO 0.31 -2.24 1.08 0.54 -1.33 0.00 0.00 177.39 175.75 3bx4 s VAL 40 N -1.58 2.10 0.12 4.08 0.11 -0.08 -4.26 120.40 120.88 3bx4 s VAL 40 Ca 0.74 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.97 3bx4 s VAL 40 Cb -0.42 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 3bx4 s VAL 40 CO 0.49 0.02 -0.21 -0.94 -3.33 0.00 0.00 175.10 171.13 3bx4 s SER 41 N -0.44 3.72 -0.17 3.54 1.04 -1.26 -0.63 113.70 119.50 3bx4 s SER 41 Ca 0.59 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 56.42 3bx4 s SER 41 Cb -0.44 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.24 3bx4 s SER 41 CO 0.57 0.18 -0.19 -0.36 0.98 0.00 0.00 173.24 174.43 3bx4 s PHE 42 N -1.12 2.77 -1.62 5.02 0.40 -1.26 -4.96 117.98 117.21 3bx4 s PHE 42 Ca 0.17 -1.49 0.18 0.00 -0.60 0.00 0.00 56.93 55.19 3bx4 s PHE 42 Cb -0.10 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 3bx4 s PHE 42 CO 0.09 -0.73 0.92 1.04 0.70 0.00 0.00 175.22 177.24 3bx4 n GLN 43 N 4.49 1.52 -3.69 0.44 1.13 -1.26 -5.00 117.38 115.00 3bx4 n GLN 43 Ca -0.20 -0.83 -0.07 0.00 -1.94 0.00 0.00 57.00 53.96 3bx4 n GLN 43 Cb 0.50 -1.34 -0.02 0.00 0.11 0.00 0.00 30.24 29.50 3bx4 n GLN 43 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3bx4 s SER 44 N -2.12 -0.31 0.22 1.08 1.04 -1.26 -5.01 113.70 107.34 3bx4 s SER 44 Ca 0.15 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.17 3bx4 s SER 44 Cb 0.15 0.58 0.19 0.00 0.10 0.00 0.00 66.02 67.04 3bx4 s SER 44 CO 0.47 -1.04 1.76 0.00 0.98 0.00 0.00 173.24 175.42 3bx4 h ALA 45 N 2.00 1.04 -0.85 5.32 0.00 -1.99 -1.62 119.26 123.16 3bx4 h ALA 45 Ca -0.24 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.50 3bx4 h ALA 45 Cb 1.25 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3bx4 h ALA 45 CO 0.28 0.65 0.54 0.93 0.00 0.00 0.00 179.25 181.65 3bx4 h GLU 46 N 1.07 0.99 -0.59 0.00 3.07 -1.98 0.95 114.58 118.10 3bx4 h GLU 46 Ca 0.24 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 3bx4 h GLU 46 Cb 0.29 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3bx4 h GLU 46 CO -0.01 0.66 0.09 1.49 -1.40 0.00 0.00 179.01 179.84 3bx4 h GLU 47 N 1.02 0.97 -0.71 2.33 4.81 -1.84 -1.43 114.58 119.74 3bx4 h GLU 47 Ca 0.35 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3bx4 h GLU 47 Cb 0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3bx4 h GLU 47 CO -0.14 0.93 0.35 0.00 -0.73 0.00 0.00 179.01 179.41 3bx4 h ALA 48 N 1.01 1.28 -0.50 2.92 0.00 -0.75 -1.15 119.26 122.06 3bx4 h ALA 48 Ca 0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3bx4 h ALA 48 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3bx4 h ALA 48 CO 0.01 0.56 0.05 -0.44 0.00 0.00 0.00 179.25 179.43 3bx4 h ASP 49 N 1.00 0.83 -0.24 0.00 3.32 -0.61 -1.39 116.42 119.33 3bx4 h ASP 49 Ca 0.25 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.05 3bx4 h ASP 49 Cb 0.09 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3bx4 h ASP 49 CO -0.03 0.90 0.02 0.15 -1.72 0.00 0.00 179.24 178.56 3bx4 h PHE 50 N 0.73 0.03 -0.75 4.55 3.04 -0.73 -1.93 116.94 121.88 3bx4 h PHE 50 Ca 0.15 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.08 3bx4 h PHE 50 Cb 0.45 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 3bx4 h PHE 50 CO 0.03 -0.01 0.33 0.28 -2.02 0.00 0.00 178.31 176.92 3bx4 h VAL 51 N 0.11 1.25 -0.30 1.41 2.07 -0.94 -1.55 116.25 118.29 3bx4 h VAL 51 Ca 0.11 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3bx4 h VAL 51 Cb 0.13 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3bx4 h VAL 51 CO -0.17 0.31 -0.17 0.58 0.02 0.00 0.00 177.57 178.13 3bx4 h VAL 52 N 1.08 1.25 -0.97 2.57 2.07 -1.11 -0.10 116.25 121.03 3bx4 h VAL 52 Ca 0.25 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.67 3bx4 h VAL 52 Cb 0.17 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 3bx4 h VAL 52 CO -0.03 0.37 0.63 0.11 0.02 0.00 0.00 177.57 178.68 3bx4 h LYS 53 N 0.49 1.16 -0.22 1.57 1.57 -0.76 -0.93 116.57 119.45 3bx4 h LYS 53 Ca 0.08 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3bx4 h LYS 53 Cb 0.58 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3bx4 h LYS 53 CO 0.04 0.77 -0.32 1.25 -0.57 0.00 0.00 179.45 180.62 3bx4 h LEU 54 N 1.20 0.47 0.09 2.94 5.85 -0.41 -3.31 115.31 122.14 3bx4 h LEU 54 Ca 0.40 -0.18 -0.31 0.00 0.84 0.00 0.00 57.88 58.62 3bx4 h LEU 54 Cb 0.06 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3bx4 h LEU 54 CO -0.14 0.77 -1.67 0.71 -0.34 0.00 0.00 178.44 177.77 3bx4 h THR 55 N 0.40 0.96 -0.66 1.05 1.35 -0.73 -3.40 112.91 111.88 3bx4 h THR 55 Ca 0.05 -2.68 0.14 0.00 -0.55 0.00 0.00 66.41 63.37 3bx4 h THR 55 Cb 0.76 2.62 -0.11 0.00 -1.73 0.00 0.00 68.15 69.69 3bx4 h THR 55 CO 0.06 0.76 0.01 0.03 -0.25 0.00 0.00 175.52 176.14 3bx4 h ARG 56 N 0.05 0.12 0.00 4.72 3.08 -1.03 0.80 114.38 122.13 3bx4 h ARG 56 Ca -0.29 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.78 3bx4 h ARG 56 Cb 2.01 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 32.00 3bx4 h ARG 56 CO 0.12 0.08 -0.21 -1.35 -1.07 0.00 0.00 179.97 177.55 3bx4 h PRO 57 N 0.12 -0.32 0.00 0.04 0.11 -1.77 -2.72 132.00 127.48 3bx4 h PRO 57 Ca 0.35 0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.32 3bx4 h PRO 57 Cb 0.59 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 3bx4 h PRO 57 CO -0.57 -0.21 -1.87 0.54 -0.21 0.00 0.00 178.00 175.69 3bx4 n ARG 58 N -5.33 1.28 0.00 1.05 1.74 -1.10 -4.62 116.66 109.67 3bx4 n ARG 58 Ca -0.05 -0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 56.84 3bx4 n ARG 58 Cb 0.25 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 3bx4 n ARG 58 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3bx4 h LEU 59 N 0.00 0.19 0.00 0.55 4.07 -0.99 -3.49 115.31 115.64 3bx4 h LEU 59 Ca -0.25 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.33 3bx4 h LEU 59 Cb 1.46 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.14 3bx4 h LEU 59 CO 0.01 1.34 0.00 0.29 -1.08 0.00 0.00 178.44 179.00 3bx4 n LYS 60 N -3.25 0.00 -0.03 1.13 5.02 -1.02 -2.23 118.16 117.78 3bx4 n LYS 60 Ca -0.21 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.19 3bx4 n LYS 60 Cb 1.05 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 36.57 3bx4 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bx4 n ALA 61 N 10.59 2.58 -1.58 7.82 0.00 -1.26 -2.82 120.51 135.83 3bx4 n ALA 61 Ca 0.00 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 3bx4 n ALA 61 Cb 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.28 3bx4 n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bx4 n ASN 62 N -0.22 0.40 -4.80 0.00 3.02 -0.94 -4.45 115.26 108.27 3bx4 n ASN 62 Ca 0.17 0.82 -0.35 0.00 -0.03 0.00 0.00 54.58 55.19 3bx4 n ASN 62 Cb 0.22 -1.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.01 3bx4 n ASN 62 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bx4 s LEU 63 N -1.13 4.01 -0.06 3.41 2.01 -1.26 -1.43 118.68 124.22 3bx4 s LEU 63 Ca 0.72 1.91 0.00 0.00 0.01 0.00 0.00 54.13 56.77 3bx4 s LEU 63 Cb -0.44 -4.38 0.02 0.00 0.01 0.00 0.00 46.19 41.40 3bx4 s LEU 63 CO 0.50 -0.53 -0.03 -0.69 1.01 0.00 0.00 176.35 176.62 3bx4 s VAL 64 N -1.88 0.51 0.46 -1.59 1.01 0.48 -1.62 120.40 117.76 3bx4 s VAL 64 Ca 0.61 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 3bx4 s VAL 64 Cb -0.17 -0.58 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 3bx4 s VAL 64 CO 0.21 0.25 1.10 0.26 0.00 0.00 0.00 175.10 176.92 3bx4 s TRP 65 N 1.36 3.00 0.41 5.22 0.23 0.20 -0.82 118.94 128.54 3bx4 s TRP 65 Ca -0.04 1.58 0.07 0.00 -2.03 0.00 0.00 56.10 55.68 3bx4 s TRP 65 Cb -0.13 -3.23 -0.07 0.00 0.03 0.00 0.00 33.47 30.07 3bx4 s TRP 65 CO -0.02 -1.10 0.08 0.00 0.96 0.00 0.00 176.95 176.87 3bx4 s MET 66 N -2.81 2.08 -0.13 4.98 0.23 -0.88 -3.95 119.30 118.83 3bx4 s MET 66 Ca 0.64 -1.98 -0.02 0.00 -1.03 0.00 0.00 55.69 53.30 3bx4 s MET 66 Cb -0.24 -1.80 0.02 0.00 -1.53 0.00 0.00 34.83 31.29 3bx4 s MET 66 CO 0.29 -0.07 2.34 0.41 -2.03 0.00 0.00 175.02 175.96 3bx4 n GLY 67 N -1.09 3.21 3.17 3.16 0.00 0.20 -4.64 105.19 109.20 3bx4 n GLY 67 Ca -0.03 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 3bx4 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bx4 s LEU 68 N -0.71 2.33 0.14 0.99 1.43 -1.26 -5.00 118.68 116.60 3bx4 s LEU 68 Ca 0.25 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3bx4 s LEU 68 Cb 0.16 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3bx4 s LEU 68 CO -0.02 -0.01 -0.16 -0.94 0.23 0.00 0.00 176.35 175.46 3bx4 s SER 69 N 1.34 2.29 -1.31 2.29 1.04 -1.26 -1.56 113.70 116.52 3bx4 s SER 69 Ca 0.05 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.58 3bx4 s SER 69 Cb -0.13 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 65.88 3bx4 s SER 69 CO -0.11 -0.11 0.59 -3.20 0.98 0.00 0.00 173.24 171.40 3bx4 n ASN 70 N 0.39 -1.90 0.06 7.02 5.15 0.45 -4.85 115.26 121.57 3bx4 n ASN 70 Ca -0.14 -0.96 0.08 0.00 -0.60 0.00 0.00 54.58 52.96 3bx4 n ASN 70 Cb 0.57 -3.41 0.36 0.00 -0.53 0.00 0.00 39.78 36.77 3bx4 n ASN 70 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3bx4 n ILE 71 N -4.30 1.07 0.27 -1.44 -5.35 -0.31 -2.25 119.36 107.04 3bx4 n ILE 71 Ca -0.25 0.31 0.09 0.00 -0.27 0.00 0.00 62.75 62.63 3bx4 n ILE 71 Cb 0.66 -1.17 0.15 0.00 -1.74 0.00 0.00 39.64 37.53 3bx4 n ILE 71 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3bx4 n TRP 72 N -1.81 0.32 -3.84 4.28 5.03 -1.26 -4.89 117.44 115.27 3bx4 n TRP 72 Ca 0.02 -0.23 -0.36 0.00 3.03 0.00 0.00 57.50 59.97 3bx4 n TRP 72 Cb 0.16 -0.01 -0.06 0.00 -1.03 0.00 0.00 31.31 30.38 3bx4 n TRP 72 CO 0.00 0.00 0.00 -1.58 -0.03 0.00 0.00 177.69 176.08 3bx4 s HIS 73 N -1.24 3.59 0.00 -5.99 2.46 -0.96 -4.35 115.29 108.81 3bx4 s HIS 73 Ca 0.27 0.52 0.00 0.00 0.47 0.00 0.00 55.06 56.32 3bx4 s HIS 73 Cb 0.16 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 3bx4 s HIS 73 CO 0.23 0.68 0.00 0.41 -2.47 0.00 0.00 174.74 173.59 3bx4 n GLY 74 N 1.52 0.56 0.66 1.59 0.00 -1.26 -4.97 105.19 103.29 3bx4 n GLY 74 Ca -0.15 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.15 3bx4 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx4 n ASN 76 N 0.53 -5.34 -4.74 0.00 5.15 -1.26 -4.91 115.26 104.69 3bx4 n ASN 76 Ca 0.16 -1.00 -0.42 0.00 -0.60 0.00 0.00 54.58 52.73 3bx4 n ASN 76 Cb 0.37 -3.49 -0.02 0.00 -0.53 0.00 0.00 39.78 36.11 3bx4 n ASN 76 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3bx4 s TRP 77 N -3.46 3.02 0.11 1.20 0.52 -1.26 -5.02 118.94 114.05 3bx4 s TRP 77 Ca 0.47 0.91 -0.05 0.00 0.02 0.00 0.00 56.10 57.44 3bx4 s TRP 77 Cb -0.16 -3.86 -0.02 0.00 -1.15 0.00 0.00 33.47 28.28 3bx4 s TRP 77 CO 0.85 -2.91 0.14 -0.65 0.02 0.00 0.00 176.95 174.41 3bx4 s GLN 78 N 0.05 0.91 0.12 4.98 -0.21 -1.26 -4.96 119.66 119.29 3bx4 s GLN 78 Ca 0.62 -1.19 -0.25 0.00 0.02 0.00 0.00 55.36 54.57 3bx4 s GLN 78 Cb -0.43 0.30 -0.07 0.00 1.00 0.00 0.00 33.01 33.82 3bx4 s GLN 78 CO 0.40 -0.28 0.76 -1.58 -2.12 0.00 0.00 175.29 172.47 3bx4 s TRP 79 N -3.95 3.85 0.54 0.91 0.52 -1.26 -4.96 118.94 114.58 3bx4 s TRP 79 Ca 0.14 1.56 0.40 0.00 0.02 0.00 0.00 56.10 58.21 3bx4 s TRP 79 Cb 0.06 -2.76 2.11 0.00 -1.15 0.00 0.00 33.47 31.72 3bx4 s TRP 79 CO -0.04 0.45 2.27 0.66 0.02 0.00 0.00 176.95 180.30 3bx4 h SER 80 N 4.76 0.00 -0.11 2.95 4.64 -2.02 -1.00 113.55 122.77 3bx4 h SER 80 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3bx4 h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3bx4 h SER 80 CO 0.67 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 3bx4 n ASP 81 N -3.21 2.21 0.00 4.97 3.85 -1.26 -4.95 116.55 118.16 3bx4 n ASP 81 Ca -0.02 -1.75 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 3bx4 n ASP 81 Cb 0.13 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 3bx4 n ASP 81 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bx4 n GLY 82 N 1.26 0.79 3.72 6.12 0.00 -0.38 -5.03 105.19 111.67 3bx4 n GLY 82 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3bx4 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx4 s ALA 83 N -3.14 2.23 0.29 4.61 0.00 -1.26 -4.96 121.76 119.52 3bx4 s ALA 83 Ca 0.00 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 3bx4 s ALA 83 Cb 0.00 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 3bx4 s ALA 83 CO 0.00 -1.78 1.26 1.03 0.00 0.00 0.00 175.76 176.27 3bx4 s ARG 84 N -3.61 4.43 -1.17 0.00 0.52 -1.26 -4.38 118.95 113.48 3bx4 s ARG 84 Ca 0.79 2.08 -0.08 0.00 -0.52 0.00 0.00 55.73 58.01 3bx4 s ARG 84 Cb -0.34 -3.13 0.24 0.00 0.52 0.00 0.00 34.95 32.23 3bx4 s ARG 84 CO 0.43 -0.11 1.55 -0.11 0.02 0.00 0.00 175.30 177.07 3bx4 n LEU 85 N 1.37 6.18 -0.04 2.53 0.00 -1.26 -4.68 117.00 121.10 3bx4 n LEU 85 Ca 0.01 -4.89 -0.03 0.00 0.00 0.00 0.00 56.01 51.11 3bx4 n LEU 85 Cb 0.43 -1.42 -0.01 0.00 0.00 0.00 0.00 43.42 42.41 3bx4 n LEU 85 CO 0.58 1.39 -0.20 0.78 0.00 0.00 0.00 177.39 179.94 3bx4 h ASN 86 N 5.98 0.00 -3.52 1.96 2.35 -2.02 -3.46 115.58 116.87 3bx4 h ASN 86 Ca 0.28 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.50 3bx4 h ASN 86 Cb 0.70 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.13 3bx4 h ASN 86 CO 1.37 0.44 0.73 -0.47 -1.65 0.00 0.00 177.43 177.85 3bx4 s TYR 87 N -1.72 3.01 -0.00 1.19 5.04 -1.26 -5.03 117.35 118.58 3bx4 s TYR 87 Ca -0.08 1.13 0.03 0.00 -2.44 0.00 0.00 57.07 55.71 3bx4 s TYR 87 Cb 0.01 -3.79 -0.01 0.00 0.35 0.00 0.00 41.96 38.52 3bx4 s TYR 87 CO 0.13 -2.46 -0.09 0.15 -1.34 0.00 0.00 175.55 171.93 3bx4 s LYS 88 N -0.77 0.71 -0.28 4.97 1.02 -1.26 -5.04 119.74 119.08 3bx4 s LYS 88 Ca 0.56 -0.37 0.21 0.00 0.02 0.00 0.00 55.97 56.39 3bx4 s LYS 88 Cb -0.41 -0.68 0.49 0.00 -0.52 0.00 0.00 37.83 36.70 3bx4 s LYS 88 CO 0.46 0.18 1.20 -3.47 -0.92 0.00 0.00 175.35 172.80 3bx4 n ASP 89 N 2.72 0.90 -4.77 2.83 2.03 -1.26 -5.10 116.55 113.90 3bx4 n ASP 89 Ca -0.14 -2.09 -0.39 0.00 0.52 0.00 0.00 54.79 52.69 3bx4 n ASP 89 Cb 0.57 -0.22 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 3bx4 n ASP 89 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3bx4 s TRP 90 N -2.93 3.18 0.32 -0.67 0.52 -1.26 -5.00 118.94 113.10 3bx4 s TRP 90 Ca 0.23 1.57 -0.29 0.00 0.02 0.00 0.00 56.10 57.63 3bx4 s TRP 90 Cb 0.35 -3.39 -0.12 0.00 -1.15 0.00 0.00 33.47 29.16 3bx4 s TRP 90 CO -0.06 -1.18 1.41 0.94 0.02 0.00 0.00 176.95 178.08 3bx4 n GLN 91 N 0.37 2.34 -2.66 4.98 7.27 -1.26 -4.94 117.38 123.49 3bx4 n GLN 91 Ca 0.03 0.83 -0.42 0.00 0.07 0.00 0.00 57.00 57.51 3bx4 n GLN 91 Cb 0.46 -2.49 -0.03 0.00 2.41 0.00 0.00 30.24 30.58 3bx4 n GLN 91 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3bx4 s GLU 92 N -1.41 3.24 -0.06 3.69 2.02 -1.26 -4.93 118.70 120.00 3bx4 s GLU 92 Ca 0.59 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.79 3bx4 s GLU 92 Cb -0.55 -4.39 0.04 0.00 0.10 0.00 0.00 34.13 29.33 3bx4 s GLU 92 CO 0.58 -2.05 0.41 -0.65 0.02 0.00 0.00 175.26 173.58 3bx4 s GLN 93 N 5.01 0.70 0.01 1.61 -0.21 -1.26 -5.17 119.66 120.34 3bx4 s GLN 93 Ca 0.33 0.11 0.04 0.00 0.02 0.00 0.00 55.36 55.86 3bx4 s GLN 93 Cb -0.09 0.32 -0.01 0.00 1.00 0.00 0.00 33.01 34.23 3bx4 s GLN 93 CO 0.09 -0.18 -0.13 0.45 -2.12 0.00 0.00 175.29 173.40 3bx4 s SER 94 N -0.88 1.52 0.14 5.90 0.15 -1.26 -5.07 113.70 114.20 3bx4 s SER 94 Ca -0.09 -0.30 0.09 0.00 0.70 0.00 0.00 55.95 56.34 3bx4 s SER 94 Cb -0.04 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 3bx4 s SER 94 CO 0.04 0.12 -0.13 -1.61 1.20 0.00 0.00 173.24 172.86 3bx4 s GLU 95 N -0.55 1.95 0.16 5.44 2.02 -1.26 -1.24 118.70 125.22 3bx4 s GLU 95 Ca 0.04 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.85 3bx4 s GLU 95 Cb -0.06 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 3bx4 s GLU 95 CO 0.00 0.47 0.04 0.00 0.02 0.00 0.00 175.26 175.79 3bx4 s LEU 97 N -3.13 3.81 0.15 0.00 1.43 -0.60 -0.89 118.68 119.45 3bx4 s LEU 97 Ca 0.26 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3bx4 s LEU 97 Cb 0.07 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3bx4 s LEU 97 CO 0.04 0.35 0.04 0.00 0.23 0.00 0.00 176.35 177.01 3bx4 s ALA 98 N -1.02 1.07 0.12 4.21 0.00 -0.28 -2.07 121.76 123.79 3bx4 s ALA 98 Ca 0.17 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.64 3bx4 s ALA 98 Cb -0.12 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3bx4 s ALA 98 CO 0.07 -0.43 -0.12 -0.59 0.00 0.00 0.00 175.76 174.68 3bx4 s PHE 99 N -3.91 1.26 0.34 0.00 -0.12 -0.00 -0.11 117.98 115.44 3bx4 s PHE 99 Ca 0.25 -0.63 -0.23 0.00 -0.05 0.00 0.00 56.93 56.28 3bx4 s PHE 99 Cb 0.07 -0.66 -0.10 0.00 -0.63 0.00 0.00 43.02 41.70 3bx4 s PHE 99 CO 0.03 0.09 0.89 1.03 -0.05 0.00 0.00 175.22 177.21 3bx4 s ARG 100 N -2.94 4.37 0.00 1.99 0.52 -1.24 -0.39 118.95 121.26 3bx4 s ARG 100 Ca 0.09 1.13 0.09 0.00 -0.52 0.00 0.00 55.73 56.53 3bx4 s ARG 100 Cb -0.03 -2.59 0.47 0.00 0.52 0.00 0.00 34.95 33.32 3bx4 s ARG 100 CO 0.02 0.19 1.16 0.41 0.02 0.00 0.00 175.30 177.10 3bx4 n GLY 101 N 0.14 -0.58 0.01 -3.53 0.00 -0.52 -2.26 105.19 98.45 3bx4 n GLY 101 Ca 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3bx4 n GLY 101 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3bx4 n VAL 102 N -1.27 0.00 -4.10 1.61 0.31 -1.21 -2.86 118.33 110.81 3bx4 n VAL 102 Ca 0.04 -0.37 -0.10 0.00 -0.01 0.00 0.00 64.34 63.91 3bx4 n VAL 102 Cb 0.07 1.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.90 3bx4 n VAL 102 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3bx4 s HIS 103 N -1.52 0.64 -1.14 3.52 3.76 -0.96 -5.02 115.29 114.58 3bx4 s HIS 103 Ca 0.02 -0.82 0.25 0.00 -0.15 0.00 0.00 55.06 54.36 3bx4 s HIS 103 Cb 0.04 -0.41 0.48 0.00 1.11 0.00 0.00 32.58 33.81 3bx4 s HIS 103 CO 0.23 -0.21 1.40 0.25 -0.85 0.00 0.00 174.74 175.56 3bx4 n THR 104 N 0.56 0.00 -1.71 1.30 -2.24 -1.26 -3.71 114.28 107.22 3bx4 n THR 104 Ca -0.17 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3bx4 n THR 104 Cb 0.59 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 3bx4 n THR 104 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bx4 n GLU 105 N -1.34 2.80 -2.51 -0.78 4.71 -1.26 -4.96 120.64 117.30 3bx4 n GLU 105 Ca 0.07 1.01 -0.34 0.00 -0.01 0.00 0.00 57.16 57.88 3bx4 n GLU 105 Cb 0.34 -2.88 -0.03 0.00 -1.01 0.00 0.00 31.44 27.86 3bx4 n GLU 105 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 3bx4 s TRP 106 N 1.76 2.99 -0.03 -0.32 0.52 -1.26 -4.09 118.94 118.50 3bx4 s TRP 106 Ca 0.78 1.58 0.02 0.00 0.02 0.00 0.00 56.10 58.49 3bx4 s TRP 106 Cb -0.49 -3.11 0.01 0.00 -1.15 0.00 0.00 33.47 28.73 3bx4 s TRP 106 CO 0.34 -0.91 -0.06 -0.51 0.02 0.00 0.00 176.95 175.83 3bx4 s LEU 107 N -3.41 1.59 0.05 2.99 1.43 0.85 -4.97 118.68 117.21 3bx4 s LEU 107 Ca 0.67 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 3bx4 s LEU 107 Cb -0.18 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 3bx4 s LEU 107 CO 0.22 0.01 0.99 0.54 0.23 0.00 0.00 176.35 178.34 3bx4 s ASN 108 N 0.51 7.40 0.09 2.29 4.22 -1.26 -1.13 114.94 127.06 3bx4 s ASN 108 Ca -0.07 1.75 0.03 0.00 -2.14 0.00 0.00 52.86 52.43 3bx4 s ASN 108 Cb -0.11 -2.58 -0.04 0.00 1.28 0.00 0.00 41.25 39.81 3bx4 s ASN 108 CO 0.00 -0.20 -0.09 -0.04 -2.04 0.00 0.00 177.10 174.74 3bx4 s MET 109 N 0.58 0.81 0.26 3.55 -1.94 -0.07 -4.96 119.30 117.53 3bx4 s MET 109 Ca 0.50 -1.14 -0.31 0.00 -1.71 0.00 0.00 55.69 53.03 3bx4 s MET 109 Cb -0.23 -0.44 -0.12 0.00 2.01 0.00 0.00 34.83 36.05 3bx4 s MET 109 CO 0.29 0.06 1.56 -3.47 -0.01 0.00 0.00 175.02 173.45 3bx4 n ASP 110 N 0.55 3.56 0.05 3.03 4.64 -1.26 -0.76 116.55 126.37 3bx4 n ASP 110 Ca -0.16 1.13 0.07 0.00 -1.38 0.00 0.00 54.79 54.45 3bx4 n ASP 110 Cb 0.58 -1.54 0.30 0.00 -1.04 0.00 0.00 41.12 39.42 3bx4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3bx4 n SER 112 N -1.78 1.82 -4.72 0.00 3.41 -1.26 -2.14 113.62 108.95 3bx4 n SER 112 Ca 0.01 -1.41 -0.32 0.00 -0.26 0.00 0.00 58.87 56.90 3bx4 n SER 112 Cb 0.11 0.23 0.12 0.00 -0.26 0.00 0.00 64.21 64.41 3bx4 n SER 112 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3bx4 s SER 113 N -2.34 3.81 -0.14 4.04 0.01 -0.61 -4.78 113.70 113.70 3bx4 s SER 113 Ca 0.24 2.10 -0.03 0.00 1.31 0.00 0.00 55.95 59.57 3bx4 s SER 113 Cb 0.19 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3bx4 s SER 113 CO 0.48 -2.51 -0.03 0.42 0.41 0.00 0.00 173.24 172.01 3bx4 s THR 114 N -2.57 3.97 0.16 1.44 -4.23 -1.26 -3.90 115.64 109.26 3bx4 s THR 114 Ca 0.67 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3bx4 s THR 114 Cb -0.22 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 3bx4 s THR 114 CO 0.54 0.52 0.01 0.00 -0.54 0.00 0.00 174.62 175.14 3bx4 s SER 116 N -3.15 1.19 0.24 0.00 0.01 -0.64 -0.98 113.70 110.37 3bx4 s SER 116 Ca 0.23 0.79 -0.22 0.00 1.31 0.00 0.00 55.95 58.07 3bx4 s SER 116 Cb 0.06 -1.15 0.04 0.00 0.21 0.00 0.00 66.02 65.18 3bx4 s SER 116 CO 0.03 -3.98 0.68 0.72 0.41 0.00 0.00 173.24 171.11 3bx4 s PHE 117 N -2.95 -0.31 -0.03 2.43 -0.12 -0.73 -0.63 117.98 115.65 3bx4 s PHE 117 Ca 0.69 -0.07 0.05 0.00 -0.05 0.00 0.00 56.93 57.55 3bx4 s PHE 117 Cb -0.12 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 3bx4 s PHE 117 CO 0.57 -1.10 -0.16 0.08 -0.05 0.00 0.00 175.22 174.55 3bx4 s VAL 118 N -3.85 1.32 0.21 -2.49 1.01 -1.25 -0.55 120.40 114.79 3bx4 s VAL 118 Ca 0.08 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3bx4 s VAL 118 Cb -0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3bx4 s VAL 118 CO 0.00 0.38 0.28 0.00 0.00 0.00 0.00 175.10 175.76 3bx4 s LYS 120 N -3.64 0.39 0.14 0.00 2.20 -0.04 -1.71 119.74 117.08 3bx4 s LYS 120 Ca 0.34 0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 56.31 3bx4 s LYS 120 Cb -0.09 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 3bx4 s LYS 120 CO 0.27 -0.05 0.22 -0.59 -0.36 0.00 0.00 175.35 174.85 3bx4 s PHE 121 N 0.14 0.41 -0.12 4.03 -0.12 0.00 -1.83 117.98 120.49 3bx4 s PHE 121 Ca -0.00 -0.80 -0.22 0.00 -0.05 0.00 0.00 56.93 55.86 3bx4 s PHE 121 Cb -0.02 -0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 3bx4 s PHE 121 CO 0.01 -0.64 0.65 0.21 -0.05 0.00 0.00 175.22 175.40 3bx4 s LYS 122 N -3.95 4.35 0.00 1.99 2.20 -1.26 -0.21 119.74 122.85 3bx4 s LYS 122 Ca 0.15 0.75 0.16 0.00 -0.36 0.00 0.00 55.97 56.66 3bx4 s LYS 122 Cb 0.04 -3.49 0.93 0.00 -1.51 0.00 0.00 37.83 33.80 3bx4 s LYS 122 CO -0.02 -0.03 1.34 0.00 -0.36 0.00 0.00 175.35 176.27