#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bem n ALA 2 N 0.00 0.00 -0.12 -1.41 0.00 -1.26 -1.71 120.51 116.00 3bem n ALA 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3bem n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3bem n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3bem h GLU 3 N 0.00 0.64 -0.54 0.00 4.39 -2.06 -1.70 114.58 115.31 3bem h GLU 3 Ca 0.00 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 3bem h GLU 3 Cb 0.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3bem h GLU 3 CO 0.00 0.75 -0.11 0.35 -1.16 0.00 0.00 179.01 178.84 3bem h PHE 4 N 0.45 1.14 -0.44 4.33 3.57 -1.77 -1.66 116.94 122.56 3bem h PHE 4 Ca 0.10 -0.23 0.02 0.00 3.53 0.00 0.00 57.97 61.39 3bem h PHE 4 Cb 0.47 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3bem h PHE 4 CO 0.04 1.05 0.25 1.15 -2.23 0.00 0.00 178.31 178.57 3bem h THR 5 N 0.90 1.03 -0.37 4.41 2.02 -1.79 0.14 112.91 119.24 3bem h THR 5 Ca 0.14 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.18 3bem h THR 5 Cb 0.68 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3bem h THR 5 CO 0.05 0.09 0.15 -0.74 0.37 0.00 0.00 175.52 175.45 3bem h HIS 6 N 0.51 0.28 -0.18 3.16 -0.00 -1.08 -0.68 115.15 117.15 3bem h HIS 6 Ca 0.18 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 3bem h HIS 6 Cb 0.03 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 3bem h HIS 6 CO -0.08 0.13 0.03 1.25 -0.00 0.00 0.00 177.93 179.26 3bem h LEU 7 N 0.32 -0.01 -0.34 0.26 5.85 -0.70 -1.56 115.31 119.13 3bem h LEU 7 Ca 0.17 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3bem h LEU 7 Cb 0.12 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3bem h LEU 7 CO -0.15 0.02 0.10 0.58 -0.34 0.00 0.00 178.44 178.66 3bem h VAL 8 N 0.09 1.21 -0.32 1.05 2.07 -0.87 -2.22 116.25 117.27 3bem h VAL 8 Ca 0.08 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3bem h VAL 8 Cb 0.08 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3bem h VAL 8 CO -0.12 0.23 0.10 -1.13 0.02 0.00 0.00 177.57 176.67 3bem h ASN 9 N 0.40 0.40 0.56 0.57 -1.24 -0.94 -2.82 115.58 112.52 3bem h ASN 9 Ca 0.11 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3bem h ASN 9 Cb 0.26 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3bem h ASN 9 CO -0.00 0.40 -0.43 -0.62 -1.29 0.00 0.00 177.43 175.49 3bem n GLU 10 N -4.38 0.02 -2.43 6.67 -0.58 -0.60 -4.85 120.64 114.48 3bem n GLU 10 Ca 0.02 -0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 3bem n GLU 10 Cb 0.16 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 3bem n GLU 10 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3bem s ARG 11 N -2.99 4.25 -0.03 3.49 3.52 -0.85 -5.01 118.95 121.33 3bem s ARG 11 Ca 0.12 1.66 0.03 0.00 -0.13 0.00 0.00 55.73 57.41 3bem s ARG 11 Cb 0.18 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3bem s ARG 11 CO 0.67 -0.67 -0.12 1.03 -0.81 0.00 0.00 175.30 175.40 3bem s ARG 12 N 3.32 1.27 0.05 5.12 1.81 -1.26 -5.02 118.95 124.24 3bem s ARG 12 Ca 0.55 -0.42 -0.30 0.00 -1.72 0.00 0.00 55.73 53.83 3bem s ARG 12 Cb -0.22 -1.15 -0.08 0.00 -0.45 0.00 0.00 34.95 33.05 3bem s ARG 12 CO 0.15 0.16 1.77 -1.12 -0.68 0.00 0.00 175.30 175.59 3bem s SER 13 N 0.14 6.54 0.24 0.23 0.01 -1.26 -4.55 113.70 115.04 3bem s SER 13 Ca -0.03 2.55 -0.30 0.00 1.31 0.00 0.00 55.95 59.48 3bem s SER 13 Cb -0.10 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 3bem s SER 13 CO 0.01 -0.96 1.22 0.00 0.41 0.00 0.00 173.24 173.92 3bem s ALA 14 N 3.35 3.46 -0.13 1.44 0.00 -0.26 -4.94 121.76 124.68 3bem s ALA 14 Ca 0.79 1.04 0.19 0.00 0.00 0.00 0.00 51.96 53.97 3bem s ALA 14 Cb -0.41 -3.42 -0.22 0.00 0.00 0.00 0.00 23.12 19.07 3bem s ALA 14 CO 0.35 -0.41 0.50 -1.13 0.00 0.00 0.00 175.76 175.07 3bem n SER 15 N 1.88 0.37 -3.86 0.00 3.41 -1.26 -4.67 113.62 109.49 3bem n SER 15 Ca 0.03 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.71 3bem n SER 15 Cb 0.44 0.90 -0.07 0.00 -0.26 0.00 0.00 64.21 65.21 3bem n SER 15 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bem s ASN 16 N -5.36 0.05 0.01 4.04 2.20 -1.26 -4.84 114.94 109.78 3bem s ASN 16 Ca -0.06 -0.67 0.04 0.00 -0.94 0.00 0.00 52.86 51.23 3bem s ASN 16 Cb 0.09 0.39 -0.01 0.00 -2.00 0.00 0.00 41.25 39.72 3bem s ASN 16 CO 0.84 -0.80 -0.12 -0.36 -2.94 0.00 0.00 177.10 173.72 3bem s PHE 17 N -3.88 1.06 0.31 1.54 0.08 -1.26 -4.26 117.98 111.56 3bem s PHE 17 Ca 0.08 -0.26 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 3bem s PHE 17 Cb 0.04 -0.66 -0.10 0.00 -0.57 0.00 0.00 43.02 41.74 3bem s PHE 17 CO -0.08 -0.00 0.98 -0.51 -0.10 0.00 0.00 175.22 175.50 3bem s LEU 18 N -0.62 4.40 0.69 -0.37 1.43 0.39 -4.84 118.68 119.76 3bem s LEU 18 Ca 0.03 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 3bem s LEU 18 Cb -0.06 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.25 3bem s LEU 18 CO 0.00 -0.09 1.07 -0.94 0.23 0.00 0.00 176.35 176.62 3bem s SER 19 N -1.44 5.23 0.00 2.29 1.04 -1.26 -4.28 113.70 115.28 3bem s SER 19 Ca 0.49 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.66 3bem s SER 19 Cb -0.22 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3bem s SER 19 CO 0.28 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.56 3bem n GLY 20 N -1.48 0.58 2.48 7.32 0.00 -1.26 -4.99 105.19 107.83 3bem n GLY 20 Ca 0.08 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 3bem n GLY 20 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bem n HIS 21 N -2.77 2.05 -1.78 1.61 -0.00 -1.26 -5.10 115.22 107.97 3bem n HIS 21 Ca 0.00 -3.90 -0.38 0.00 -0.00 0.00 0.00 57.72 53.43 3bem n HIS 21 Cb 0.04 -0.46 0.04 0.00 -0.00 0.00 0.00 29.99 29.61 3bem n HIS 21 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3bem s PRO 22 N -2.54 3.17 -0.01 -0.41 0.04 -1.26 -4.72 135.00 129.28 3bem s PRO 22 Ca 0.42 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.75 3bem s PRO 22 Cb 0.25 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3bem s PRO 22 CO -0.09 -1.17 -0.09 -1.50 0.04 0.00 0.00 177.00 174.19 3bem s ILE 23 N -1.29 3.45 0.29 0.56 2.07 -1.26 -5.11 121.20 119.91 3bem s ILE 23 Ca 0.71 -0.79 0.07 0.00 -1.41 0.00 0.00 60.65 59.23 3bem s ILE 23 Cb -0.41 -2.46 -0.03 0.00 0.13 0.00 0.00 42.46 39.68 3bem s ILE 23 CO 0.49 0.44 0.21 0.42 -1.91 0.00 0.00 174.94 174.58 3bem s THR 24 N -0.93 3.94 0.30 4.00 -4.23 -1.26 -5.01 115.64 112.46 3bem s THR 24 Ca 0.15 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 3bem s THR 24 Cb -0.11 -3.25 0.30 0.00 1.34 0.00 0.00 72.50 70.78 3bem s THR 24 CO 0.06 -0.28 1.81 0.11 -0.54 0.00 0.00 174.62 175.78 3bem h LYS 25 N 1.44 0.81 -0.47 3.99 1.57 -2.00 -1.97 116.57 119.94 3bem h LYS 25 Ca -0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3bem h LYS 25 Cb 1.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3bem h LYS 25 CO 0.60 0.54 0.30 0.93 -0.57 0.00 0.00 179.45 181.25 3bem h GLU 26 N 0.84 0.64 0.13 3.15 5.08 -1.99 0.27 114.58 122.70 3bem h GLU 26 Ca 0.53 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.85 3bem h GLU 26 Cb 0.74 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3bem h GLU 26 CO -0.32 0.45 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.53 3bem h ASP 27 N 0.64 -0.50 -0.52 1.42 3.32 -1.88 -2.82 116.42 116.07 3bem h ASP 27 Ca 0.17 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3bem h ASP 27 Cb -0.03 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3bem h ASP 27 CO -0.03 -0.26 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.10 3bem h LEU 28 N -0.37 0.96 -1.46 1.55 3.38 -1.15 -2.97 115.31 115.25 3bem h LEU 28 Ca 0.02 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3bem h LEU 28 Cb 0.37 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3bem h LEU 28 CO -0.08 1.06 0.41 0.78 0.09 0.00 0.00 178.44 180.70 3bem h ASN 29 N 0.83 0.60 0.00 -0.43 2.35 -0.45 -0.09 115.58 118.39 3bem h ASN 29 Ca 0.14 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3bem h ASN 29 Cb 0.60 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3bem h ASN 29 CO 0.04 0.40 0.00 1.21 -1.65 0.00 0.00 177.43 177.43 3bem n GLU 30 N -4.47 0.08 0.00 0.81 2.13 -1.07 -1.04 120.64 117.08 3bem n GLU 30 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3bem n GLU 30 Cb 0.17 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 30.79 3bem n GLU 30 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3bem n PHE 32 N 0.53 0.00 0.01 4.31 3.72 -0.05 -3.63 117.46 122.35 3bem n PHE 32 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 3bem n PHE 32 Cb 0.02 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 38.97 3bem n PHE 32 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3bem h GLU 33 N 0.00 0.53 0.01 -1.08 4.39 -1.35 -0.69 114.58 116.39 3bem h GLU 33 Ca 0.00 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.43 3bem h GLU 33 Cb 0.00 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3bem h GLU 33 CO 0.00 0.39 -0.89 -0.07 -1.16 0.00 0.00 179.01 177.28 3bem h LEU 34 N 0.53 0.76 -1.21 1.33 3.38 -1.84 -3.24 115.31 115.02 3bem h LEU 34 Ca 0.14 -0.76 0.15 0.00 0.09 0.00 0.00 57.88 57.50 3bem h LEU 34 Cb 0.01 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 3bem h LEU 34 CO -0.02 1.42 0.59 0.58 0.09 0.00 0.00 178.44 181.10 3bem h VAL 35 N 0.18 0.82 0.00 1.22 2.07 -1.81 -0.82 116.25 117.91 3bem h VAL 35 Ca -0.11 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3bem h VAL 35 Cb 1.57 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3bem h VAL 35 CO 0.17 0.13 -0.01 0.00 0.02 0.00 0.00 177.57 177.89 3bem h ALA 36 N 1.59 1.39 -0.35 1.67 0.00 -1.16 -0.97 119.26 121.44 3bem h ALA 36 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3bem h ALA 36 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3bem h ALA 36 CO -0.24 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.30 3bem n LEU 37 N -3.66 2.64 -4.74 0.00 4.77 -0.32 -4.90 117.00 110.79 3bem n LEU 37 Ca -0.03 -1.18 -0.35 0.00 -0.03 0.00 0.00 56.01 54.42 3bem n LEU 37 Cb 0.09 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 3bem n LEU 37 CO 0.26 0.59 0.80 0.00 -1.33 0.00 0.00 177.39 177.71 3bem s ALA 38 N -1.55 2.35 0.52 -1.18 0.00 -0.37 -4.99 121.76 116.54 3bem s ALA 38 Ca 0.35 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 3bem s ALA 38 Cb 0.20 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 3bem s ALA 38 CO 0.27 -1.48 1.04 -1.25 0.00 0.00 0.00 175.76 174.34 3bem s PRO 39 N -3.75 3.67 -0.01 0.00 0.04 -1.26 -5.06 135.00 128.63 3bem s PRO 39 Ca 0.74 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 3bem s PRO 39 Cb -0.27 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.20 3bem s PRO 39 CO 0.40 -0.53 0.26 -1.54 0.04 0.00 0.00 177.00 175.63 3bem s SER 40 N -2.35 -0.12 0.14 6.66 1.04 -1.26 -4.80 113.70 113.01 3bem s SER 40 Ca 0.65 -0.01 -0.33 0.00 0.48 0.00 0.00 55.95 56.75 3bem s SER 40 Cb -0.15 0.28 -0.12 0.00 0.10 0.00 0.00 66.02 66.12 3bem s SER 40 CO 0.26 -0.43 1.73 0.00 0.98 0.00 0.00 173.24 175.78 3bem n ALA 41 N 1.32 2.00 -1.86 5.32 0.00 -1.26 -1.30 120.51 124.73 3bem n ALA 41 Ca -0.22 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.41 3bem n ALA 41 Cb 0.56 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.47 3bem n ALA 41 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3bem n PHE 42 N 4.55 -0.48 -2.95 0.00 3.72 -1.26 -1.31 117.46 119.74 3bem n PHE 42 Ca 0.18 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.40 3bem n PHE 42 Cb 0.33 -3.36 -0.00 0.00 -0.94 0.00 0.00 39.48 35.50 3bem n PHE 42 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3bem n ASN 43 N -1.42 -3.53 0.17 4.37 5.15 -0.42 -4.89 115.26 114.70 3bem n ASN 43 Ca -0.20 -0.09 0.13 0.00 -0.60 0.00 0.00 54.58 53.82 3bem n ASN 43 Cb 0.63 -2.97 0.34 0.00 -0.53 0.00 0.00 39.78 37.25 3bem n ASN 43 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3bem h LEU 44 N -0.52 0.00 -2.62 1.20 3.38 -1.38 -3.48 115.31 111.89 3bem h LEU 44 Ca -0.34 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.36 3bem h LEU 44 Cb 1.24 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.14 3bem h LEU 44 CO 0.42 0.00 -0.81 0.00 0.09 0.00 0.00 178.44 178.14 3bem n GLN 45 N -2.68 -1.94 0.27 1.13 6.02 -1.26 -4.85 117.38 114.06 3bem n GLN 45 Ca 0.04 0.83 0.15 0.00 -0.01 0.00 0.00 57.00 58.01 3bem n GLN 45 Cb 0.44 -5.43 0.73 0.00 1.02 0.00 0.00 30.24 27.01 3bem n GLN 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3bem h HIS 46 N -1.12 0.00 -3.20 1.08 3.86 -1.92 -3.45 115.15 110.40 3bem h HIS 46 Ca -0.57 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.06 3bem h HIS 46 Cb 1.30 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.72 3bem h HIS 46 CO 0.30 0.09 -0.07 0.99 0.86 0.00 0.00 177.93 180.10 3bem s THR 47 N -3.94 4.81 0.06 2.45 2.01 -1.26 -0.68 115.64 119.09 3bem s THR 47 Ca -0.01 1.14 0.06 0.00 0.31 0.00 0.00 61.69 63.19 3bem s THR 47 Cb 0.11 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3bem s THR 47 CO 0.56 0.55 -0.16 -0.54 -0.69 0.00 0.00 174.62 174.33 3bem s LYS 48 N -1.01 0.99 -0.10 4.92 -0.14 -0.27 -4.98 119.74 119.14 3bem s LYS 48 Ca 0.28 -0.91 0.03 0.00 -1.36 0.00 0.00 55.97 54.01 3bem s LYS 48 Cb -0.19 -1.06 -0.01 0.00 -1.68 0.00 0.00 37.83 34.90 3bem s LYS 48 CO 0.18 0.25 -0.21 0.71 -0.76 0.00 0.00 175.35 175.52 3bem s TYR 49 N -1.02 2.62 -0.36 3.18 1.51 -1.26 -0.51 117.35 121.51 3bem s TYR 49 Ca 0.02 -0.90 -0.12 0.00 -1.01 0.00 0.00 57.07 55.05 3bem s TYR 49 Cb -0.09 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3bem s TYR 49 CO 0.02 -0.34 0.23 0.08 -1.11 0.00 0.00 175.55 174.43 3bem s VAL 50 N 0.30 4.99 -0.37 0.71 1.01 0.06 -4.96 120.40 122.14 3bem s VAL 50 Ca -0.15 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3bem s VAL 50 Cb -0.17 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.58 3bem s VAL 50 CO 0.08 -0.13 0.18 -0.89 0.00 0.00 0.00 175.10 174.34 3bem s THR 51 N 1.65 4.30 -0.35 3.92 2.01 -1.26 -0.42 115.64 125.50 3bem s THR 51 Ca 0.05 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 3bem s THR 51 Cb -0.18 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 3bem s THR 51 CO 0.09 -0.25 0.25 -0.69 -0.69 0.00 0.00 174.62 173.33 3bem s VAL 52 N 1.49 5.28 -0.08 3.82 1.01 0.12 -4.90 120.40 127.15 3bem s VAL 52 Ca 0.01 -0.28 0.18 0.00 0.00 0.00 0.00 61.98 61.89 3bem s VAL 52 Cb -0.20 -3.75 -0.27 0.00 0.00 0.00 0.00 36.38 32.17 3bem s VAL 52 CO 0.05 -0.06 0.29 0.18 0.00 0.00 0.00 175.10 175.57 3bem n LEU 53 N 5.11 0.00 -4.68 3.92 4.77 -1.26 -1.61 117.00 123.26 3bem n LEU 53 Ca -0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 3bem n LEU 53 Cb 0.49 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 3bem n LEU 53 CO 0.37 0.15 1.15 -0.62 -1.33 0.00 0.00 177.39 177.12 3bem s ASP 54 N -4.54 6.83 0.27 -1.43 -1.08 -1.26 -4.92 116.67 110.53 3bem s ASP 54 Ca -0.08 2.10 0.02 0.00 -0.52 0.00 0.00 52.55 54.07 3bem s ASP 54 Cb 0.10 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 3bem s ASP 54 CO 0.77 -0.75 1.70 -0.61 0.52 0.00 0.00 175.17 176.80 3bem h GLN 55 N 8.10 0.48 -0.64 4.34 5.75 -1.99 -1.34 115.11 129.80 3bem h GLN 55 Ca -0.37 -0.19 -0.07 0.00 -0.15 0.00 0.00 58.65 57.87 3bem h GLN 55 Cb 1.17 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.67 3bem h GLN 55 CO 0.92 0.71 0.12 -0.44 -2.65 0.00 0.00 178.83 177.49 3bem h ASP 56 N 0.42 0.97 -0.39 -0.69 3.32 -2.00 -1.87 116.42 116.18 3bem h ASP 56 Ca 0.06 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.74 3bem h ASP 56 Cb 0.71 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3bem h ASP 56 CO 0.05 0.96 -0.36 0.58 -1.72 0.00 0.00 179.24 178.75 3bem h VAL 57 N 0.97 1.27 -0.85 -1.35 2.07 -1.87 -2.64 116.25 113.85 3bem h VAL 57 Ca 0.20 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.24 3bem h VAL 57 Cb 0.39 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3bem h VAL 57 CO 0.01 0.52 0.55 0.11 0.02 0.00 0.00 177.57 178.78 3bem h LYS 58 N 0.77 0.97 -0.75 1.57 1.57 -0.98 0.44 116.57 120.15 3bem h LYS 58 Ca 0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3bem h LYS 58 Cb 0.95 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3bem h LYS 58 CO 0.09 0.64 0.27 0.93 -0.57 0.00 0.00 179.45 180.81 3bem h GLU 59 N 0.99 1.14 -0.42 3.15 4.39 -1.18 0.61 114.58 123.28 3bem h GLU 59 Ca 0.35 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3bem h GLU 59 Cb 0.12 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3bem h GLU 59 CO -0.12 0.95 0.23 0.87 -1.16 0.00 0.00 179.01 179.78 3bem h LYS 60 N 1.10 0.58 -0.55 2.33 1.57 -0.95 -2.59 116.57 118.06 3bem h LYS 60 Ca 0.25 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3bem h LYS 60 Cb 0.25 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3bem h LYS 60 CO -0.02 0.47 0.13 -0.07 -0.57 0.00 0.00 179.45 179.40 3bem h LEU 61 N 0.54 0.80 -0.89 2.94 3.38 -0.71 -2.58 115.31 118.78 3bem h LEU 61 Ca 0.15 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3bem h LEU 61 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3bem h LEU 61 CO -0.02 0.78 0.57 0.50 0.09 0.00 0.00 178.44 180.36 3bem h LYS 62 N 0.82 1.07 -0.07 1.13 3.64 -0.60 -0.95 116.57 121.61 3bem h LYS 62 Ca 0.18 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3bem h LYS 62 Cb 0.30 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3bem h LYS 62 CO -0.00 0.71 -0.02 0.37 -2.27 0.00 0.00 179.45 178.24 3bem h GLN 63 N 1.10 0.10 -0.01 1.90 4.15 -1.08 -0.45 115.11 120.82 3bem h GLN 63 Ca 0.36 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.77 3bem h GLN 63 Cb 0.02 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3bem h GLN 63 CO -0.12 0.13 -0.06 0.00 -1.93 0.00 0.00 178.83 176.84 3bem n ALA 64 N -2.52 2.71 -2.37 3.38 0.00 -0.43 -4.06 120.51 117.22 3bem n ALA 64 Ca -0.02 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 3bem n ALA 64 Cb 0.14 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.30 3bem n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bem n ALA 65 N -0.58 4.33 -2.09 0.00 0.00 -0.38 -0.75 120.51 121.03 3bem n ALA 65 Ca 0.18 -3.61 -0.20 0.00 0.00 0.00 0.00 53.44 49.81 3bem n ALA 65 Cb 0.27 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 3bem n ALA 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bem n ASN 66 N -0.57 -5.59 0.00 0.00 5.03 -1.22 -2.10 115.26 110.81 3bem n ASN 66 Ca 0.31 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.95 3bem n ASN 66 Cb 0.85 -4.76 0.00 0.00 -1.02 0.00 0.00 39.78 34.84 3bem n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bem n GLY 67 N -0.76 0.37 3.65 7.41 0.00 -0.32 -4.95 105.19 110.60 3bem n GLY 67 Ca -0.23 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 3bem n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bem n GLN 68 N -1.80 1.90 0.02 1.61 6.02 -0.89 -4.86 117.38 119.38 3bem n GLN 68 Ca 0.00 0.67 0.04 0.00 -0.01 0.00 0.00 57.00 57.70 3bem n GLN 68 Cb 0.14 -2.59 0.42 0.00 1.02 0.00 0.00 30.24 29.23 3bem n GLN 68 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3bem h TYR 69 N 9.72 0.48 0.00 1.08 3.20 -1.92 -2.16 116.97 127.37 3bem h TYR 69 Ca -0.45 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 3bem h TYR 69 Cb 1.28 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 3bem h TYR 69 CO 0.88 0.34 -0.00 1.57 -1.64 0.00 0.00 178.16 179.31 3bem h LYS 70 N 0.51 0.00 -0.71 1.82 2.10 -1.89 0.12 116.57 118.52 3bem h LYS 70 Ca 0.13 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 3bem h LYS 70 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 3bem h LYS 70 CO -0.02 0.00 0.40 0.28 -2.00 0.00 0.00 179.45 178.10 3bem h VAL 71 N 0.00 1.22 0.00 0.07 2.07 -1.76 -1.87 116.25 115.97 3bem h VAL 71 Ca -0.00 -0.53 -0.23 0.00 0.82 0.00 0.00 66.70 66.76 3bem h VAL 71 Cb 0.09 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 3bem h VAL 71 CO 0.00 0.24 -1.51 -0.37 0.02 0.00 0.00 177.57 175.94 3bem h VAL 72 N 0.98 0.75 0.00 2.57 -1.51 -1.19 -3.36 116.25 114.48 3bem h VAL 72 Ca 0.25 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 3bem h VAL 72 Cb 0.03 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3bem h VAL 72 CO -0.04 0.43 -0.19 0.77 -1.23 0.00 0.00 177.57 177.31 3bem h SER 73 N 0.00 0.00 -3.68 4.19 4.64 -1.28 -3.46 113.55 113.97 3bem h SER 73 Ca -0.21 -0.03 -0.57 0.00 -0.47 0.00 0.00 61.79 60.51 3bem h SER 73 Cb 1.81 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 64.07 3bem h SER 73 CO 0.07 0.02 0.16 -1.54 -0.87 0.00 0.00 176.83 174.66 3bem n SER 74 N -2.59 0.85 0.03 4.97 3.41 -0.71 -4.66 113.62 114.91 3bem n SER 74 Ca 0.04 0.78 -0.03 0.00 -0.26 0.00 0.00 58.87 59.40 3bem n SER 74 Cb 0.48 -1.41 0.22 0.00 -0.26 0.00 0.00 64.21 63.24 3bem n SER 74 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3bem h SER 75 N 0.35 0.45 -5.01 4.04 0.02 -0.92 -3.46 113.55 109.01 3bem h SER 75 Ca -0.49 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.25 3bem h SER 75 Cb 1.36 -0.12 -0.17 0.00 0.14 0.00 0.00 62.40 63.61 3bem h SER 75 CO 0.50 0.70 0.08 0.00 -1.14 0.00 0.00 176.83 176.97 3bem s ALA 76 N -4.48 -1.45 -0.16 3.77 0.00 -1.08 -4.57 121.76 113.78 3bem s ALA 76 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3bem s ALA 76 Cb 0.14 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.57 3bem s ALA 76 CO 0.78 -0.48 -0.16 0.08 0.00 0.00 0.00 175.76 175.98 3bem s VAL 77 N -2.16 2.53 -0.13 0.00 1.01 -0.63 -1.63 120.40 119.37 3bem s VAL 77 Ca -0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 3bem s VAL 77 Cb -0.01 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3bem s VAL 77 CO 0.01 0.52 0.04 -0.76 0.00 0.00 0.00 175.10 174.90 3bem s LEU 78 N 0.96 3.74 -0.25 3.92 1.02 0.98 0.16 118.68 129.21 3bem s LEU 78 Ca -0.03 0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.17 3bem s LEU 78 Cb -0.15 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 3bem s LEU 78 CO -0.03 0.28 0.12 -0.76 0.02 0.00 0.00 176.35 175.98 3bem s LEU 79 N -0.30 3.72 -0.35 1.79 2.01 0.44 -0.53 118.68 125.47 3bem s LEU 79 Ca 0.08 -0.09 -0.15 0.00 0.01 0.00 0.00 54.13 53.97 3bem s LEU 79 Cb -0.12 -2.01 -0.01 0.00 0.01 0.00 0.00 46.19 44.06 3bem s LEU 79 CO 0.02 -0.02 0.36 -0.69 1.01 0.00 0.00 176.35 177.03 3bem s VAL 80 N 1.53 5.17 0.07 -1.59 1.01 -1.26 -0.76 120.40 124.57 3bem s VAL 80 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3bem s VAL 80 Cb -0.15 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3bem s VAL 80 CO 0.06 -0.11 -0.00 -0.76 0.00 0.00 0.00 175.10 174.29 3bem s LEU 81 N 2.00 3.45 -0.09 3.92 1.43 0.34 -0.63 118.68 129.10 3bem s LEU 81 Ca 0.11 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 3bem s LEU 81 Cb -0.17 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 3bem s LEU 81 CO 0.12 0.20 -0.22 -0.83 0.23 0.00 0.00 176.35 175.85 3bem s GLY 82 N -2.09 1.24 -0.37 -3.19 0.00 -0.38 -1.11 107.32 101.42 3bem s GLY 82 Ca 0.24 -0.90 -0.29 0.00 0.00 0.00 0.00 44.72 43.76 3bem s GLY 82 CO 0.16 -0.33 1.14 -0.35 0.00 0.00 0.00 173.10 173.72 3bem s ASP 83 N 0.28 6.78 0.47 1.64 -1.08 0.14 -0.74 116.67 124.17 3bem s ASP 83 Ca -0.15 0.86 0.32 0.00 -0.52 0.00 0.00 52.55 53.06 3bem s ASP 83 Cb -0.17 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.18 3bem s ASP 83 CO 0.07 -1.05 1.95 0.11 0.52 0.00 0.00 175.17 176.77 3bem h LYS 84 N 8.72 0.00 -0.28 4.34 1.57 -1.17 -2.76 116.57 126.98 3bem h LYS 84 Ca -0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3bem h LYS 84 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 3bem h LYS 84 CO 1.07 0.00 -0.01 1.04 -0.57 0.00 0.00 179.45 180.98 3bem n GLN 85 N -2.78 2.52 -0.31 3.15 1.13 -1.26 -4.74 117.38 115.08 3bem n GLN 85 Ca 0.00 -2.92 0.21 0.00 -1.94 0.00 0.00 57.00 52.35 3bem n GLN 85 Cb 0.22 -1.82 0.49 0.00 0.11 0.00 0.00 30.24 29.24 3bem n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bem h ALA 86 N 1.46 2.18 0.00 -1.58 0.00 -1.86 -1.56 119.26 117.90 3bem h ALA 86 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bem h ALA 86 Cb 1.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3bem h ALA 86 CO 0.27 -0.56 -0.01 0.10 0.00 0.00 0.00 179.25 179.04 3bem h TYR 87 N 0.43 0.00 0.00 0.00 -0.00 -1.87 -1.32 116.97 114.21 3bem h TYR 87 Ca 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 59.30 3bem h TYR 87 Cb 1.40 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.13 3bem h TYR 87 CO -0.00 0.01 -0.00 1.96 -0.00 0.00 0.00 178.16 180.13 3bem h GLN 88 N 0.00 0.00 0.00 0.10 4.20 -1.67 -2.30 115.11 115.44 3bem h GLN 88 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3bem h GLN 88 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3bem h GLN 88 CO 0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.21 3bem n GLN 89 N -3.11 0.14 -0.21 1.46 1.13 -0.50 -4.39 117.38 111.89 3bem n GLN 89 Ca -0.02 0.16 -0.02 0.00 -1.94 0.00 0.00 57.00 55.19 3bem n GLN 89 Cb 0.14 -1.67 0.05 0.00 0.11 0.00 0.00 30.24 28.87 3bem n GLN 89 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bem h ALA 90 N 2.66 0.31 -0.78 -1.58 0.00 -1.58 -0.23 119.26 118.05 3bem h ALA 90 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3bem h ALA 90 Cb 0.56 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3bem h ALA 90 CO 0.00 -0.49 0.50 0.00 0.00 0.00 0.00 179.25 179.27 3bem h ALA 91 N 1.48 1.03 -0.37 0.00 0.00 -1.84 -0.85 119.26 118.70 3bem h ALA 91 Ca 0.29 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3bem h ALA 91 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3bem h ALA 91 CO -0.66 0.33 0.04 -0.44 0.00 0.00 0.00 179.25 178.51 3bem h ASP 92 N 0.99 0.61 -0.64 0.00 3.32 -1.40 -2.56 116.42 116.74 3bem h ASP 92 Ca 0.31 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3bem h ASP 92 Cb -0.01 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3bem h ASP 92 CO -0.10 0.74 0.16 0.40 -1.72 0.00 0.00 179.24 178.71 3bem h ILE 93 N 0.46 1.26 -0.00 0.35 2.04 -0.86 -3.05 117.51 117.71 3bem h ILE 93 Ca 0.11 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3bem h ILE 93 Cb 0.40 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3bem h ILE 93 CO 0.01 0.35 -0.13 -1.22 0.00 0.00 0.00 178.15 177.16 3bem n TYR 94 N -4.32 0.00 -0.29 1.37 4.01 -0.35 -4.32 117.16 113.26 3bem n TYR 94 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3bem n TYR 94 Cb 0.25 -0.25 0.13 0.00 -0.31 0.00 0.00 39.34 39.15 3bem n TYR 94 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3bem h GLU 95 N 0.36 0.88 -0.73 -0.72 4.81 -1.33 -1.36 114.58 116.48 3bem h GLU 95 Ca 0.00 -0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.32 3bem h GLU 95 Cb 0.39 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3bem h GLU 95 CO 0.00 0.58 0.49 0.78 -0.73 0.00 0.00 179.01 180.13 3bem h GLY 96 N 0.91 0.64 0.93 1.92 0.00 -1.80 -0.70 103.07 104.97 3bem h GLY 96 Ca 0.35 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.56 3bem h GLY 96 CO -0.17 0.06 0.64 1.41 0.00 0.00 0.00 176.54 178.47 3bem h LEU 97 N 0.38 1.06 0.00 3.11 3.38 -1.55 -0.53 115.31 121.16 3bem h LEU 97 Ca 0.36 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 3bem h LEU 97 Cb 0.85 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.36 3bem h LEU 97 CO -0.11 0.73 -0.27 0.50 0.09 0.00 0.00 178.44 179.38 3bem h LYS 98 N 1.23 0.18 -0.42 1.13 3.64 -1.35 -0.19 116.57 120.79 3bem h LYS 98 Ca 0.38 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3bem h LYS 98 Cb -0.01 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3bem h LYS 98 CO -0.12 0.94 -0.08 0.28 -2.27 0.00 0.00 179.45 178.20 3bem h VAL 99 N -0.49 1.25 -0.09 2.00 2.07 -1.03 -0.90 116.25 119.05 3bem h VAL 99 Ca -0.03 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3bem h VAL 99 Cb 1.03 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3bem h VAL 99 CO 0.05 0.37 0.00 0.18 0.02 0.00 0.00 177.57 178.20 3bem n LEU 100 N -4.19 0.95 -0.05 2.57 4.77 -0.22 -4.90 117.00 115.93 3bem n LEU 100 Ca 0.02 -0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 55.60 3bem n LEU 100 Cb 0.34 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3bem n LEU 100 CO 0.42 0.20 -0.01 0.61 -1.33 0.00 0.00 177.39 177.28 3bem n GLY 101 N 0.99 0.48 0.27 -0.72 0.00 -0.34 -4.90 105.19 100.96 3bem n GLY 101 Ca 0.15 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3bem n GLY 101 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3bem h ILE 102 N 0.00 1.26 -4.18 -0.61 2.04 -1.30 -3.43 117.51 111.28 3bem h ILE 102 Ca -0.01 -1.11 -0.69 0.00 1.00 0.00 0.00 64.86 64.05 3bem h ILE 102 Cb 0.15 0.91 -0.25 0.00 -0.74 0.00 0.00 36.82 36.89 3bem h ILE 102 CO 0.02 0.39 -0.86 -0.76 0.00 0.00 0.00 178.15 176.95 3bem s LEU 103 N -9.37 2.31 0.88 1.44 1.43 -0.58 -5.01 118.68 109.78 3bem s LEU 103 Ca -0.12 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 3bem s LEU 103 Cb 0.12 -1.35 0.13 0.00 0.03 0.00 0.00 46.19 45.12 3bem s LEU 103 CO 0.84 0.25 1.21 0.54 0.23 0.00 0.00 176.35 179.42 3bem s ASN 104 N -1.34 3.82 0.23 2.29 2.20 -1.26 -4.27 114.94 116.60 3bem s ASN 104 Ca 0.13 0.65 -0.08 0.00 -0.94 0.00 0.00 52.86 52.62 3bem s ASN 104 Cb -0.10 -1.01 0.24 0.00 -2.00 0.00 0.00 41.25 38.38 3bem s ASN 104 CO 0.03 -2.33 1.87 0.50 -2.94 0.00 0.00 177.10 174.24 3bem h LYS 105 N -1.35 1.01 -0.24 3.55 3.64 -1.99 -0.43 116.57 120.77 3bem h LYS 105 Ca -0.46 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 3bem h LYS 105 Cb 1.30 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3bem h LYS 105 CO 0.56 0.67 0.11 1.96 -2.27 0.00 0.00 179.45 180.47 3bem h GLN 106 N 1.04 0.34 -0.78 1.90 7.50 -1.99 0.48 115.11 123.61 3bem h GLN 106 Ca 0.33 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.39 3bem h GLN 106 Cb 0.00 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.44 3bem h GLN 106 CO -0.11 0.36 0.36 0.93 -1.50 0.00 0.00 178.83 178.88 3bem h GLU 107 N 0.24 1.12 -0.28 1.46 5.08 -1.86 -0.20 114.58 120.14 3bem h GLU 107 Ca 0.08 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3bem h GLU 107 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3bem h GLU 107 CO -0.01 0.88 0.07 -0.92 -1.00 0.00 0.00 179.01 178.02 3bem h TYR 108 N 1.10 0.48 -0.81 4.33 3.20 -0.82 -2.89 116.97 121.55 3bem h TYR 108 Ca 0.27 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3bem h TYR 108 Cb 0.13 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 3bem h TYR 108 CO 0.01 0.53 0.42 -0.44 -1.64 0.00 0.00 178.16 177.04 3bem h ASP 109 N 0.29 1.03 0.00 -2.11 3.32 -0.70 -0.80 116.42 117.44 3bem h ASP 109 Ca 0.09 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3bem h ASP 109 Cb 0.29 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3bem h ASP 109 CO 0.00 0.84 0.00 1.57 -1.72 0.00 0.00 179.24 179.94 3bem n HIS 110 N -4.33 0.00 0.00 4.55 -0.00 -0.10 -1.15 115.22 114.19 3bem n HIS 110 Ca 0.08 -0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.23 3bem n HIS 110 Cb 0.12 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 3bem n HIS 110 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3bem n VAL 112 N 0.55 0.00 -0.05 3.57 0.31 -0.31 -0.76 118.33 121.64 3bem n VAL 112 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3bem n VAL 112 Cb 0.07 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.17 3bem n VAL 112 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3bem h GLN 113 N 0.00 0.66 -0.38 5.55 5.75 -1.39 -0.41 115.11 124.89 3bem h GLN 113 Ca 0.00 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.29 3bem h GLN 113 Cb 0.00 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3bem h GLN 113 CO 0.00 0.76 0.23 -0.44 -2.65 0.00 0.00 178.83 176.73 3bem h ASP 114 N 0.60 0.45 -0.06 -0.69 3.32 -1.19 -0.39 116.42 118.46 3bem h ASP 114 Ca 0.10 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3bem h ASP 114 Cb 0.56 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3bem h ASP 114 CO 0.04 0.38 -0.03 0.74 -1.72 0.00 0.00 179.24 178.65 3bem h THR 115 N 0.49 1.32 -0.19 0.35 2.02 -1.73 -2.15 112.91 113.02 3bem h THR 115 Ca 0.13 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 3bem h THR 115 Cb 0.01 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3bem h THR 115 CO -0.02 0.28 0.11 0.58 0.37 0.00 0.00 175.52 176.84 3bem h VAL 116 N -0.25 1.10 -0.27 3.16 2.07 -1.03 -2.70 116.25 118.33 3bem h VAL 116 Ca 0.01 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3bem h VAL 116 Cb 0.46 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3bem h VAL 116 CO 0.01 0.09 -0.05 0.77 0.02 0.00 0.00 177.57 178.41 3bem h SER 117 N 0.22 0.39 -0.16 0.57 4.64 -1.13 0.62 113.55 118.70 3bem h SER 117 Ca 0.07 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3bem h SER 117 Cb 0.05 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3bem h SER 117 CO -0.01 0.49 -0.05 0.15 -0.87 0.00 0.00 176.83 176.54 3bem h PHE 118 N 0.39 -0.10 -0.06 4.77 3.04 -1.06 0.35 116.94 124.26 3bem h PHE 118 Ca 0.08 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 3bem h PHE 118 Cb 0.34 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 3bem h PHE 118 CO 0.01 -0.08 -0.02 1.88 -2.02 0.00 0.00 178.31 178.08 3bem h TYR 119 N -0.01 0.14 -0.98 0.41 -1.99 -1.29 -3.06 116.97 110.19 3bem h TYR 119 Ca 0.08 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.79 3bem h TYR 119 Cb 0.13 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 38.78 3bem h TYR 119 CO -0.20 0.48 0.65 0.93 -0.00 0.00 0.00 178.16 180.02 3bem h GLU 120 N -0.24 1.28 0.00 4.88 5.08 -0.69 -1.83 114.58 123.06 3bem h GLU 120 Ca 0.01 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3bem h GLU 120 Cb 0.44 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3bem h GLU 120 CO 0.01 0.85 -0.38 -0.91 -1.00 0.00 0.00 179.01 177.58 3bem h ASN 121 N 1.32 0.00 0.99 1.42 2.35 -1.01 -3.17 115.58 117.49 3bem h ASN 121 Ca 0.36 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.99 3bem h ASN 121 Cb -0.15 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3bem h ASN 121 CO -0.08 0.38 -1.07 0.03 -1.65 0.00 0.00 177.43 175.04 3bem h ARG 122 N 0.00 0.00 0.00 0.81 3.08 -1.34 -3.51 114.38 113.42 3bem h ARG 122 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bem h ARG 122 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3bem h ARG 122 CO 0.05 0.27 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 3bem n GLY 123 N 1.30 -2.01 0.29 0.04 0.00 -0.73 -4.31 105.19 99.78 3bem n GLY 123 Ca -0.05 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 3bem n GLY 123 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bem h GLU 124 N 0.00 0.98 -0.61 1.61 4.39 -1.91 -2.18 114.58 116.86 3bem h GLU 124 Ca 0.00 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 3bem h GLU 124 Cb 0.00 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3bem h GLU 124 CO 0.00 1.06 0.31 0.37 -1.16 0.00 0.00 179.01 179.59 3bem h GLN 125 N 0.86 0.88 -0.30 2.33 4.15 -1.99 -1.81 115.11 119.23 3bem h GLN 125 Ca 0.13 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.45 3bem h GLN 125 Cb 0.72 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3bem h GLN 125 CO 0.06 0.69 0.12 0.35 -1.93 0.00 0.00 178.83 178.12 3bem h PHE 126 N 0.84 0.21 -0.69 3.99 3.57 -1.69 0.14 116.94 123.32 3bem h PHE 126 Ca 0.21 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.83 3bem h PHE 126 Cb 0.10 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 3bem h PHE 126 CO -0.00 0.10 0.31 0.87 -2.23 0.00 0.00 178.31 177.36 3bem h LYS 127 N 0.26 0.51 -0.27 1.11 1.57 -1.09 0.14 116.57 118.79 3bem h LYS 127 Ca 0.13 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3bem h LYS 127 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3bem h LYS 127 CO -0.12 0.34 -0.26 -0.09 -0.57 0.00 0.00 179.45 178.75 3bem h ARG 128 N 0.53 0.66 -0.80 3.15 2.43 -0.75 -1.99 114.38 117.61 3bem h ARG 128 Ca 0.35 -0.34 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 3bem h ARG 128 Cb 0.40 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.87 3bem h ARG 128 CO -0.29 0.95 0.38 -0.44 -1.51 0.00 0.00 179.97 179.05 3bem h ASP 129 N 0.39 0.43 -0.26 -3.80 3.32 -0.31 -1.92 116.42 114.26 3bem h ASP 129 Ca 0.05 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3bem h ASP 129 Cb 0.82 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 3bem h ASP 129 CO 0.07 0.19 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.29 3bem h GLU 130 N 0.56 0.69 -0.50 3.56 4.39 -0.59 0.17 114.58 122.86 3bem h GLU 130 Ca 0.43 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 3bem h GLU 130 Cb 0.60 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3bem h GLU 130 CO -0.36 0.81 0.30 0.00 -1.16 0.00 0.00 179.01 178.59 3bem h ALA 131 N 1.21 0.64 -0.08 3.43 0.00 -0.63 -1.03 119.26 122.80 3bem h ALA 131 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3bem h ALA 131 Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bem h ALA 131 CO 0.04 0.13 -0.09 0.82 0.00 0.00 0.00 179.25 180.15 3bem h ILE 132 N 0.67 1.38 0.08 0.00 2.04 -1.17 -2.56 117.51 117.94 3bem h ILE 132 Ca 0.18 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3bem h ILE 132 Cb 0.00 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3bem h ILE 132 CO -0.03 0.36 -0.04 -0.09 0.00 0.00 0.00 178.15 178.35 3bem h ARG 133 N -0.23 -0.10 -0.26 2.37 2.43 -0.89 -0.67 114.38 117.03 3bem h ARG 133 Ca 0.01 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 3bem h ARG 133 Cb 0.62 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3bem h ARG 133 CO 0.02 0.07 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.16 3bem h ASN 134 N -0.25 0.76 -0.13 -3.80 2.35 -1.29 -1.81 115.58 111.40 3bem h ASN 134 Ca -0.01 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.30 3bem h ASN 134 Cb 0.22 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3bem h ASN 134 CO 0.02 1.11 -0.09 0.00 -1.65 0.00 0.00 177.43 176.82 3bem h ALA 135 N 0.91 1.34 -0.22 -0.83 0.00 -1.41 -1.87 119.26 117.18 3bem h ALA 135 Ca 0.03 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 3bem h ALA 135 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3bem h ALA 135 CO 0.10 0.45 -0.60 0.77 0.00 0.00 0.00 179.25 179.96 3bem h SER 136 N 0.42 0.91 -0.50 0.00 0.02 -0.88 0.13 113.55 113.65 3bem h SER 136 Ca 0.08 -0.58 0.07 0.00 -0.84 0.00 0.00 61.79 60.53 3bem h SER 136 Cb 0.42 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3bem h SER 136 CO 0.02 1.32 0.16 -0.07 -1.14 0.00 0.00 176.83 177.13 3bem h LEU 137 N 0.53 0.15 -0.50 5.07 3.38 -1.13 -2.59 115.31 120.22 3bem h LEU 137 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3bem h LEU 137 Cb 1.22 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3bem h LEU 137 CO 0.13 0.11 0.31 -1.28 0.09 0.00 0.00 178.44 177.80 3bem h SER 138 N 0.33 0.59 -0.06 -0.43 0.87 -1.11 -3.44 113.55 110.30 3bem h SER 138 Ca 0.24 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 3bem h SER 138 Cb 0.27 -0.15 0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3bem h SER 138 CO -0.26 0.45 0.25 0.00 -0.53 0.00 0.00 176.83 176.74 3bem n ALA 139 N -2.25 0.29 -0.98 6.23 0.00 0.43 -4.97 120.51 119.27 3bem n ALA 139 Ca 0.02 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.19 3bem n ALA 139 Cb 0.04 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.15 3bem n ALA 139 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bem n PHE 142 N 17.86 0.00 0.00 0.00 7.35 -1.26 -5.03 117.46 136.37 3bem n PHE 142 Ca 0.41 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 3bem n PHE 142 Cb 0.46 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.80 3bem n PHE 142 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3bem n LEU 144 N 0.00 0.00 -0.16 -2.13 4.77 -1.26 -0.86 117.00 117.36 3bem n LEU 144 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3bem n LEU 144 Cb 0.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3bem n LEU 144 CO 0.00 0.00 1.03 0.28 -1.33 0.00 0.00 177.39 177.37 3bem h SER 145 N 0.00 0.41 -0.76 -1.43 0.02 -1.99 -0.83 113.55 108.97 3bem h SER 145 Ca 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3bem h SER 145 Cb 0.00 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3bem h SER 145 CO 0.00 0.29 0.41 0.00 -1.14 0.00 0.00 176.83 176.38 3bem h ALA 146 N 1.23 0.98 -0.32 3.77 0.00 -1.33 -1.47 119.26 122.12 3bem h ALA 146 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bem h ALA 146 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3bem h ALA 146 CO -0.11 0.50 0.21 0.00 0.00 0.00 0.00 179.25 179.85 3bem h ALA 147 N 1.21 0.40 -0.17 0.00 0.00 -1.54 0.29 119.26 119.45 3bem h ALA 147 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3bem h ALA 147 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3bem h ALA 147 CO -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 179.25 179.08 3bem h ALA 148 N 1.12 1.68 -0.01 0.00 0.00 -0.81 -1.30 119.26 119.94 3bem h ALA 148 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bem h ALA 148 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3bem h ALA 148 CO -0.03 0.25 -0.15 0.00 0.00 0.00 0.00 179.25 179.33 3bem n ALA 149 N -2.50 2.84 -0.25 0.00 0.00 -0.58 -4.93 120.51 115.09 3bem n ALA 149 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3bem n ALA 149 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3bem n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bem n GLY 150 N 1.29 0.86 3.79 0.00 0.00 -0.49 -5.07 105.19 105.57 3bem n GLY 150 Ca 0.14 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3bem n GLY 150 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bem s TRP 151 N -2.00 3.07 0.08 1.61 0.52 0.03 -4.97 118.94 117.28 3bem s TRP 151 Ca 0.00 -0.09 0.04 0.00 0.02 0.00 0.00 56.10 56.07 3bem s TRP 151 Cb 0.00 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 3bem s TRP 151 CO 0.00 0.53 0.02 -0.51 0.02 0.00 0.00 176.95 177.01 3bem s ASP 152 N -3.52 5.15 0.11 2.95 1.01 0.20 -3.54 116.67 119.03 3bem s ASP 152 Ca 0.32 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.46 3bem s ASP 152 Cb -0.09 -1.27 -0.04 0.00 1.01 0.00 0.00 42.92 42.53 3bem s ASP 152 CO 0.23 0.18 -0.06 0.42 0.21 0.00 0.00 175.17 176.15 3bem s THR 153 N -1.32 0.71 -0.12 -1.27 -4.23 -1.26 -1.26 115.64 106.88 3bem s THR 153 Ca 0.26 -1.95 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 3bem s THR 153 Cb -0.12 -1.75 0.04 0.00 1.34 0.00 0.00 72.50 72.02 3bem s THR 153 CO 0.19 -0.81 0.02 0.00 -0.54 0.00 0.00 174.62 173.48 3bem s PRO 155 N 1.94 -0.00 0.00 0.00 0.04 -1.26 -1.60 135.00 134.12 3bem s PRO 155 Ca 0.03 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.02 3bem s PRO 155 Cb -0.14 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3bem s PRO 155 CO -0.07 -2.90 0.00 1.51 0.04 0.00 0.00 177.00 175.58 3bem n ILE 157 N -4.19 0.00 -1.57 0.56 0.13 -1.26 -4.97 119.36 108.06 3bem n ILE 157 Ca 0.12 0.00 -0.40 0.00 -1.10 0.00 0.00 62.75 61.36 3bem n ILE 157 Cb 0.59 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.38 3bem n ILE 157 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3bem n GLY 158 N 0.00 4.42 3.26 4.50 0.00 -1.26 -4.85 105.19 111.26 3bem n GLY 158 Ca 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 3bem n GLY 158 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bem s PHE 159 N 2.14 0.08 -0.56 1.61 -0.12 -1.26 -4.22 117.98 115.65 3bem s PHE 159 Ca 0.59 -0.47 -0.23 0.00 -0.05 0.00 0.00 56.93 56.77 3bem s PHE 159 Cb 0.16 0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.64 3bem s PHE 159 CO -0.07 -0.61 0.87 0.34 -0.05 0.00 0.00 175.22 175.69 3bem s ASP 160 N -2.86 6.28 0.20 1.98 -1.08 0.07 -4.94 116.67 116.32 3bem s ASP 160 Ca 0.06 -0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 51.36 3bem s ASP 160 Cb 0.04 -2.40 0.14 0.00 -1.46 0.00 0.00 42.92 39.24 3bem s ASP 160 CO -0.10 -1.19 1.84 0.00 0.52 0.00 0.00 175.17 176.25 3bem h ALA 161 N 9.28 0.92 -0.33 3.66 0.00 -1.95 -1.16 119.26 129.68 3bem h ALA 161 Ca -0.27 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3bem h ALA 161 Cb 1.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3bem h ALA 161 CO 1.08 0.39 -0.16 0.93 0.00 0.00 0.00 179.25 181.49 3bem h GLU 162 N 0.99 0.59 -0.56 0.00 4.39 -1.99 -0.73 114.58 117.26 3bem h GLU 162 Ca 0.26 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3bem h GLU 162 Cb -0.04 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3bem h GLU 162 CO -0.05 0.72 0.04 0.00 -1.16 0.00 0.00 179.01 178.57 3bem h ALA 163 N 1.30 0.76 -0.95 3.43 0.00 -1.84 -1.98 119.26 119.97 3bem h ALA 163 Ca 0.09 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3bem h ALA 163 Cb 0.58 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3bem h ALA 163 CO 0.04 0.55 0.63 0.28 0.00 0.00 0.00 179.25 180.75 3bem h VAL 164 N 0.86 1.24 -0.74 0.00 2.07 -0.90 -0.80 116.25 117.97 3bem h VAL 164 Ca 0.17 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3bem h VAL 164 Cb 0.49 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3bem h VAL 164 CO 0.02 0.23 0.35 0.11 0.02 0.00 0.00 177.57 178.30 3bem h LYS 165 N 1.28 1.08 -0.15 1.57 1.79 -0.85 -1.28 116.57 120.00 3bem h LYS 165 Ca 0.35 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.63 3bem h LYS 165 Cb -0.13 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.32 3bem h LYS 165 CO -0.08 0.85 0.00 0.00 -1.08 0.00 0.00 179.45 179.14 3bem h ARG 166 N 1.05 0.26 -0.92 3.15 3.08 -0.98 -0.24 114.38 119.78 3bem h ARG 166 Ca 0.25 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.27 3bem h ARG 166 Cb 0.13 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3bem h ARG 166 CO -0.03 0.49 0.59 0.82 -1.07 0.00 0.00 179.97 180.77 3bem h ILE 167 N 0.01 1.12 -0.38 2.04 2.04 -0.87 -3.10 117.51 118.38 3bem h ILE 167 Ca 0.04 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3bem h ILE 167 Cb 0.37 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3bem h ILE 167 CO 0.01 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.54 3bem n LEU 168 N -4.53 3.10 -3.75 1.44 4.77 -0.51 -4.98 117.00 112.53 3bem n LEU 168 Ca 0.12 -1.72 -0.34 0.00 -0.03 0.00 0.00 56.01 54.04 3bem n LEU 168 Cb 0.12 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3bem n LEU 168 CO 0.33 0.73 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.83 3bem n ASN 169 N 0.98 -4.97 -4.58 -1.43 5.15 -0.57 -4.96 115.26 104.87 3bem n ASN 169 Ca 0.15 -1.06 -0.37 0.00 -0.60 0.00 0.00 54.58 52.70 3bem n ASN 169 Cb 0.48 -3.10 -0.11 0.00 -0.53 0.00 0.00 39.78 36.52 3bem n ASN 169 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3bem s ILE 170 N -3.49 4.99 0.64 -1.44 1.01 -0.21 -5.05 121.20 117.66 3bem s ILE 170 Ca 0.46 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.98 3bem s ILE 170 Cb -0.18 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 3bem s ILE 170 CO 0.88 0.34 1.28 -0.67 0.00 0.00 0.00 174.94 176.77 3bem n ASP 171 N 4.53 2.04 0.08 3.58 -0.08 -1.26 -4.79 116.55 120.64 3bem n ASP 171 Ca -0.15 0.83 0.10 0.00 -1.51 0.00 0.00 54.79 54.06 3bem n ASP 171 Cb 0.52 -1.55 0.42 0.00 2.34 0.00 0.00 41.12 42.85 3bem n ASP 171 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3bem n ASP 172 N -1.80 0.41 0.28 1.67 8.00 -1.26 -1.81 116.55 122.04 3bem n ASP 172 Ca 0.16 0.60 0.18 0.00 0.71 0.00 0.00 54.79 56.44 3bem n ASP 172 Cb 0.48 -0.69 0.97 0.00 -0.02 0.00 0.00 41.12 41.86 3bem n ASP 172 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3bem h GLN 173 N 0.00 0.00 -5.35 -1.24 4.15 -1.96 -3.42 115.11 107.29 3bem h GLN 173 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.80 3bem h GLN 173 Cb 0.31 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.87 3bem h GLN 173 CO 0.00 0.00 -0.51 -0.06 -1.93 0.00 0.00 178.83 176.33 3bem s PHE 174 N -4.46 3.38 0.05 3.99 0.08 -0.75 -0.69 117.98 119.58 3bem s PHE 174 Ca -0.05 0.28 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 3bem s PHE 174 Cb 0.14 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 3bem s PHE 174 CO 0.49 0.32 0.86 -2.00 -0.10 0.00 0.00 175.22 174.78 3bem s GLU 175 N 0.13 4.57 -0.61 0.44 2.56 0.09 -4.91 118.70 120.97 3bem s GLU 175 Ca 0.08 1.23 -0.24 0.00 0.00 0.00 0.00 54.97 56.03 3bem s GLU 175 Cb -0.12 -3.39 0.05 0.00 2.00 0.00 0.00 34.13 32.68 3bem s GLU 175 CO -0.00 0.20 1.01 0.08 -0.56 0.00 0.00 175.26 175.99 3bem s VAL 176 N 0.16 4.25 -0.12 3.70 1.01 -1.26 -1.25 120.40 126.89 3bem s VAL 176 Ca 0.43 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 3bem s VAL 176 Cb -0.21 -4.65 -0.27 0.00 0.00 0.00 0.00 36.38 31.26 3bem s VAL 176 CO 0.26 -1.33 0.66 0.58 0.00 0.00 0.00 175.10 175.26 3bem h VAL 177 N 6.02 1.39 0.00 2.92 2.07 -1.22 -3.49 116.25 123.93 3bem h VAL 177 Ca -0.27 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 64.87 3bem h VAL 177 Cb 1.07 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 3bem h VAL 177 CO 1.15 0.61 0.00 -0.38 0.02 0.00 0.00 177.57 178.97 3bem n ILE 180 N -4.29 0.00 -3.26 4.57 5.41 0.31 -4.98 119.36 117.12 3bem n ILE 180 Ca -0.18 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.21 3bem n ILE 180 Cb 0.70 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.57 3bem n ILE 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3bem s THR 181 N 0.00 4.74 0.00 1.39 -4.23 -0.63 -0.01 115.64 116.90 3bem s THR 181 Ca 0.00 1.04 0.04 0.00 -1.18 0.00 0.00 61.69 61.59 3bem s THR 181 Cb 0.00 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 3bem s THR 181 CO 0.00 0.29 -0.13 -0.51 -0.54 0.00 0.00 174.62 173.73 3bem s ILE 182 N -1.42 1.01 -0.60 2.99 2.07 -0.65 -1.40 121.20 123.21 3bem s ILE 182 Ca 0.38 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 3bem s ILE 182 Cb -0.16 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.56 3bem s ILE 182 CO 0.20 0.21 0.00 0.61 -1.91 0.00 0.00 174.94 174.05 3bem n GLY 183 N 2.56 -0.58 3.27 1.50 0.00 -0.39 -0.27 105.19 111.29 3bem n GLY 183 Ca -0.15 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 3bem n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bem s LYS 184 N -0.24 3.28 0.24 1.61 -0.14 -1.26 -0.62 119.74 122.61 3bem s LYS 184 Ca 0.00 -0.69 -0.27 0.00 -1.36 0.00 0.00 55.97 53.66 3bem s LYS 184 Cb 0.00 -2.83 -0.09 0.00 -1.68 0.00 0.00 37.83 33.23 3bem s LYS 184 CO 0.00 -0.13 0.88 -2.00 -0.76 0.00 0.00 175.35 173.34 3bem s GLU 185 N 1.23 4.64 -0.59 1.68 2.12 -1.26 -0.46 118.70 126.06 3bem s GLU 185 Ca 0.03 1.29 -0.26 0.00 0.36 0.00 0.00 54.97 56.39 3bem s GLU 185 Cb -0.14 -3.09 -0.07 0.00 0.26 0.00 0.00 34.13 31.08 3bem s GLU 185 CO -0.04 0.45 2.29 -1.59 -0.54 0.00 0.00 175.26 175.83 3bem s LYS 186 N -1.51 2.11 0.39 4.30 -2.85 -1.26 -4.83 119.74 116.08 3bem s LYS 186 Ca 0.43 1.00 0.19 0.00 -1.00 0.00 0.00 55.97 56.59 3bem s LYS 186 Cb -0.22 -4.62 0.76 0.00 -2.06 0.00 0.00 37.83 31.69 3bem s LYS 186 CO 0.27 -3.43 1.77 1.15 0.10 0.00 0.00 175.35 175.21 3bem h THR 187 N 7.53 0.87 0.00 3.79 2.02 -1.96 -0.52 112.91 124.65 3bem h THR 187 Ca -0.18 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.60 3bem h THR 187 Cb 1.18 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3bem h THR 187 CO 1.14 0.34 0.00 -0.62 0.37 0.00 0.00 175.52 176.75 3bem n GLU 188 N -3.58 0.17 -0.88 6.66 4.71 -1.26 -3.51 120.64 122.95 3bem n GLU 188 Ca -0.00 0.36 -0.17 0.00 -0.01 0.00 0.00 57.16 57.34 3bem n GLU 188 Cb 0.47 -1.80 0.13 0.00 -1.01 0.00 0.00 31.44 29.23 3bem n GLU 188 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3bem n SER 189 N -2.12 3.54 -4.39 1.62 3.41 -0.20 -4.97 113.62 110.51 3bem n SER 189 Ca 0.03 -3.15 -0.35 0.00 -0.26 0.00 0.00 58.87 55.14 3bem n SER 189 Cb 0.25 -0.74 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 3bem n SER 189 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3bem s ARG 190 N -2.36 3.51 0.51 4.33 3.52 -1.23 -4.98 118.95 122.25 3bem s ARG 190 Ca 0.41 -0.57 -0.20 0.00 -0.13 0.00 0.00 55.73 55.24 3bem s ARG 190 Cb 0.34 -3.03 -0.07 0.00 -1.56 0.00 0.00 34.95 30.63 3bem s ARG 190 CO 0.08 -0.06 1.08 -0.98 -0.81 0.00 0.00 175.30 174.61 3bem s ARG 191 N 1.16 3.63 0.77 5.12 1.04 -1.26 -5.01 118.95 124.39 3bem s ARG 191 Ca 0.02 1.48 -0.15 0.00 -1.04 0.00 0.00 55.73 56.04 3bem s ARG 191 Cb -0.15 -2.07 0.03 0.00 -2.04 0.00 0.00 34.95 30.72 3bem s ARG 191 CO 0.00 -0.60 0.93 -2.30 -0.04 0.00 0.00 175.30 173.30 3bem n PRO 192 N -1.07 0.30 -1.68 3.89 -0.02 -1.26 -4.90 135.00 130.25 3bem n PRO 192 Ca 0.10 0.16 -0.45 0.00 -2.02 0.00 0.00 63.50 61.30 3bem n PRO 192 Cb 0.52 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 3bem n PRO 192 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3bem n ARG 193 N -2.15 2.33 -1.59 -0.52 0.63 -1.26 -4.93 116.66 109.17 3bem n ARG 193 Ca 0.12 0.84 -0.41 0.00 -0.92 0.00 0.00 57.85 57.48 3bem n ARG 193 Cb 0.50 -2.63 0.01 0.00 0.45 0.00 0.00 32.46 30.80 3bem n ARG 193 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bem n GLY 194 N 3.48 -0.40 3.57 5.14 0.00 -1.26 -4.85 105.19 110.88 3bem n GLY 194 Ca 0.16 0.10 -0.49 0.00 0.00 0.00 0.00 46.02 45.79 3bem n GLY 194 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3bem n TYR 195 N -0.65 1.20 -4.72 1.61 9.36 -1.26 -4.98 117.16 117.72 3bem n TYR 195 Ca 0.10 0.71 -0.33 0.00 3.32 0.00 0.00 57.90 61.69 3bem n TYR 195 Cb 0.40 -2.26 -0.12 0.00 -0.63 0.00 0.00 39.34 36.73 3bem n TYR 195 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3bem s ARG 196 N -0.39 2.68 0.28 2.98 1.81 -1.26 -5.10 118.95 119.95 3bem s ARG 196 Ca 0.74 -0.60 -0.30 0.00 -1.72 0.00 0.00 55.73 53.85 3bem s ARG 196 Cb -0.87 -2.52 -0.11 0.00 -0.45 0.00 0.00 34.95 31.00 3bem s ARG 196 CO 0.53 0.64 1.49 0.15 -0.68 0.00 0.00 175.30 177.42 3bem s LYS 197 N -0.74 4.21 0.77 3.54 1.02 -1.26 -4.99 119.74 122.28 3bem s LYS 197 Ca 0.11 2.42 -0.14 0.00 0.02 0.00 0.00 55.97 58.39 3bem s LYS 197 Cb -0.11 -3.06 0.06 0.00 -0.52 0.00 0.00 37.83 34.20 3bem s LYS 197 CO 0.01 -0.49 1.20 -2.14 -0.92 0.00 0.00 175.35 173.01 3bem s PRO 198 N -0.72 1.87 0.30 -1.68 0.02 -1.26 -4.88 135.00 128.65 3bem s PRO 198 Ca 0.59 1.74 0.04 0.00 0.02 0.00 0.00 61.00 63.39 3bem s PRO 198 Cb -0.44 -1.80 0.65 0.00 0.02 0.00 0.00 34.50 32.93 3bem s PRO 198 CO 0.48 -2.04 1.83 0.28 -0.33 0.00 0.00 177.00 177.22 3bem h VAL 199 N -0.65 0.85 0.00 3.83 2.07 -1.98 0.51 116.25 120.88 3bem h VAL 199 Ca -0.47 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3bem h VAL 199 Cb 1.29 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3bem h VAL 199 CO 0.48 0.16 0.00 -0.46 0.02 0.00 0.00 177.57 177.77 3bem n ASN 200 N -4.64 0.00 -0.13 0.57 0.23 -1.26 -1.27 115.26 108.76 3bem n ASN 200 Ca 0.20 -0.82 0.08 0.00 -0.53 0.00 0.00 54.58 53.51 3bem n ASN 200 Cb 0.43 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 3bem n ASN 200 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3bem n GLU 201 N -0.88 1.46 0.00 -3.83 1.02 0.17 -4.62 120.64 113.95 3bem n GLU 201 Ca 0.12 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3bem n GLU 201 Cb 0.06 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3bem n GLU 201 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3bem n PHE 202 N -0.98 0.00 -4.83 -0.32 1.16 -0.67 -5.00 117.46 106.82 3bem n PHE 202 Ca 0.05 -0.05 -0.29 0.00 -1.87 0.00 0.00 57.45 55.29 3bem n PHE 202 Cb 0.30 -0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.00 3bem n PHE 202 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3bem s VAL 203 N -0.09 1.63 -0.02 1.97 1.01 -0.39 -5.10 120.40 119.40 3bem s VAL 203 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.29 3bem s VAL 203 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3bem s VAL 203 CO 0.00 0.47 -0.24 -1.61 0.00 0.00 0.00 175.10 173.72 3bem s GLU 204 N 0.60 2.03 0.00 2.72 2.02 -1.26 -4.69 118.70 120.12 3bem s GLU 204 Ca -0.15 -0.86 0.17 0.00 0.02 0.00 0.00 54.97 54.16 3bem s GLU 204 Cb -0.17 -1.92 0.14 0.00 0.10 0.00 0.00 34.13 32.28 3bem s GLU 204 CO 0.05 0.50 1.05 0.66 0.02 0.00 0.00 175.26 177.54