#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 s TYR 2 N 0.00 -0.38 0.00 1.12 6.14 -1.26 -5.07 117.35 117.90 2k87 s TYR 2 Ca 0.00 0.84 0.00 0.00 0.64 0.00 0.00 57.07 58.55 2k87 s TYR 2 Cb 0.00 0.15 0.00 0.00 0.42 0.00 0.00 41.96 42.53 2k87 s TYR 2 CO 0.00 -0.30 0.34 0.25 0.64 0.00 0.00 175.55 176.48 2k87 n THR 3 N 2.22 0.00 -1.14 4.34 -2.24 -1.26 -5.09 114.28 111.11 2k87 n THR 3 Ca -0.16 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 2k87 n THR 3 Cb 0.57 0.91 0.15 0.00 -2.10 0.00 0.00 70.33 69.85 2k87 n THR 3 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k87 s GLU 4 N 0.00 1.04 0.69 -0.78 2.12 -1.26 -5.03 118.70 115.49 2k87 s GLU 4 Ca 0.00 0.83 -0.16 0.00 0.36 0.00 0.00 54.97 56.00 2k87 s GLU 4 Cb 0.00 -1.78 0.02 0.00 0.26 0.00 0.00 34.13 32.63 2k87 s GLU 4 CO 0.00 -2.39 1.20 1.14 -0.54 0.00 0.00 175.26 174.66 2k87 s GLN 5 N -4.89 2.39 0.42 4.30 0.00 -1.26 -4.99 119.66 115.63 2k87 s GLN 5 Ca 0.64 1.74 -0.21 0.00 -0.00 0.00 0.00 55.36 57.52 2k87 s GLN 5 Cb -0.19 -1.87 -0.11 0.00 0.00 0.00 0.00 33.01 30.85 2k87 s GLN 5 CO 0.57 -1.64 0.95 -1.25 0.00 0.00 0.00 175.29 173.93 2k87 s PRO 6 N -3.81 4.24 -0.78 9.60 0.04 -1.26 -4.93 135.00 138.10 2k87 s PRO 6 Ca 0.74 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 2k87 s PRO 6 Cb -0.29 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2k87 s PRO 6 CO 0.42 -0.02 1.88 0.42 0.04 0.00 0.00 177.00 179.75 2k87 s ILE 7 N -2.11 3.43 -0.47 0.56 1.01 -1.26 -4.09 121.20 118.27 2k87 s ILE 7 Ca 0.61 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 2k87 s ILE 7 Cb -0.10 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.40 2k87 s ILE 7 CO 0.14 -0.98 0.15 -0.67 0.00 0.00 0.00 174.94 173.59 2k87 n ASP 8 N 13.24 -0.97 -4.73 3.58 -0.08 -1.26 -4.81 116.55 121.52 2k87 n ASP 8 Ca 0.31 -0.05 -0.37 0.00 -1.51 0.00 0.00 54.79 53.16 2k87 n ASP 8 Cb 0.49 -0.91 -0.06 0.00 2.34 0.00 0.00 41.12 42.98 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2k87 s LEU 9 N -4.46 4.27 -0.06 -2.67 2.96 -1.26 -3.56 118.68 113.91 2k87 s LEU 9 Ca 0.21 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.82 2k87 s LEU 9 Cb -0.12 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 44.02 2k87 s LEU 9 CO 0.26 0.04 0.10 0.68 -1.32 0.00 0.00 176.35 176.11 2k87 s VAL 10 N 0.51 -0.17 0.63 1.68 -7.23 -0.62 -5.03 120.40 110.18 2k87 s VAL 10 Ca 0.23 0.39 -0.17 0.00 -1.81 0.00 0.00 61.98 60.63 2k87 s VAL 10 Cb -0.14 -0.20 -0.01 0.00 0.56 0.00 0.00 36.38 36.58 2k87 s VAL 10 CO 0.08 0.16 1.14 -2.16 -0.31 0.00 0.00 175.10 174.02 2k87 s PRO 11 N 2.17 2.85 0.00 4.82 0.04 -1.26 -0.52 135.00 143.11 2k87 s PRO 11 Ca 0.04 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2k87 s PRO 11 Cb -0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2k87 s PRO 11 CO -0.04 -1.24 0.00 -2.37 0.04 0.00 0.00 177.00 173.39 2k87 n THR 12 N -2.09 0.00 -4.20 1.26 5.66 -0.26 -4.79 114.28 109.87 2k87 n THR 12 Ca 0.12 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.00 2k87 n THR 12 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 2k87 n THR 12 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2k87 s GLN 13 N -1.92 1.10 0.57 1.09 1.11 -1.26 -3.78 119.66 116.57 2k87 s GLN 13 Ca 0.00 -1.55 -0.16 0.00 0.01 0.00 0.00 55.36 53.65 2k87 s GLN 13 Cb 0.00 0.13 -0.05 0.00 -1.01 0.00 0.00 33.01 32.09 2k87 s GLN 13 CO 0.00 -0.29 1.05 -1.25 0.01 0.00 0.00 175.29 174.80 2k87 s PRO 14 N -4.07 3.45 0.75 2.91 0.04 -1.26 -4.92 135.00 131.90 2k87 s PRO 14 Ca 0.31 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 2k87 s PRO 14 Cb 0.07 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2k87 s PRO 14 CO 0.07 -0.70 1.23 -0.51 0.04 0.00 0.00 177.00 177.13 2k87 s LEU 15 N -4.33 3.28 0.59 -3.56 1.43 -1.26 -5.03 118.68 109.80 2k87 s LEU 15 Ca 0.63 2.43 -0.15 0.00 -1.03 0.00 0.00 54.13 56.01 2k87 s LEU 15 Cb -0.15 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 2k87 s LEU 15 CO 0.34 -2.43 1.04 -2.16 0.23 0.00 0.00 176.35 173.37 2k87 s PRO 16 N -3.90 3.41 0.00 1.29 0.04 -1.26 -3.89 135.00 130.68 2k87 s PRO 16 Ca 0.76 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2k87 s PRO 16 Cb -0.31 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2k87 s PRO 16 CO 0.47 -0.73 0.00 0.27 0.04 0.00 0.00 177.00 177.05 2k87 n ASN 17 N -2.08 -1.32 -4.77 6.66 2.04 -1.26 -4.93 115.26 109.61 2k87 n ASN 17 Ca 0.08 0.00 -0.40 0.00 -0.44 0.00 0.00 54.58 53.82 2k87 n ASN 17 Cb 0.53 -1.19 0.02 0.00 -2.53 0.00 0.00 39.78 36.61 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k87 s ALA 18 N -0.27 3.26 0.10 -2.53 0.00 -1.25 -4.02 121.76 117.05 2k87 s ALA 18 Ca 0.00 1.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.34 2k87 s ALA 18 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2k87 s ALA 18 CO 0.00 -1.23 0.29 0.45 0.00 0.00 0.00 175.76 175.27 2k87 s SER 19 N -0.46 -0.04 1.16 0.00 0.15 -0.36 -4.86 113.70 109.29 2k87 s SER 19 Ca 0.61 -0.49 -0.14 0.00 0.70 0.00 0.00 55.95 56.63 2k87 s SER 19 Cb -0.45 0.40 0.27 0.00 -1.71 0.00 0.00 66.02 64.53 2k87 s SER 19 CO 0.58 -0.78 1.04 0.12 1.20 0.00 0.00 173.24 175.40 2k87 s PHE 20 N -3.78 1.30 0.16 3.44 5.36 -1.26 -0.28 117.98 122.91 2k87 s PHE 20 Ca 0.04 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 57.01 2k87 s PHE 20 Cb 0.03 -3.16 -0.01 0.00 -0.34 0.00 0.00 43.02 39.54 2k87 s PHE 20 CO -0.11 -3.75 0.14 -3.47 -1.46 0.00 0.00 175.22 166.57 2k87 n ASP 21 N -4.79 -0.35 0.00 6.13 -0.08 -1.26 -4.76 116.55 111.43 2k87 n ASP 21 Ca 0.05 -2.03 0.01 0.00 -1.51 0.00 0.00 54.79 51.32 2k87 n ASP 21 Cb 0.56 0.82 0.07 0.00 2.34 0.00 0.00 41.12 44.91 2k87 n ASP 21 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k87 n ASN 22 N -2.35 0.00 -4.73 1.67 5.03 -1.26 -4.88 115.26 108.73 2k87 n ASN 22 Ca 0.03 -0.77 -0.42 0.00 0.87 0.00 0.00 54.58 54.29 2k87 n ASN 22 Cb 0.28 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.02 2k87 n ASN 22 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2k87 s PHE 23 N -2.00 3.08 0.24 3.10 -0.12 -1.26 -1.81 117.98 119.21 2k87 s PHE 23 Ca 0.04 0.94 -0.05 0.00 -0.05 0.00 0.00 56.93 57.80 2k87 s PHE 23 Cb 0.02 -3.81 -0.05 0.00 -0.63 0.00 0.00 43.02 38.55 2k87 s PHE 23 CO 0.03 -2.74 0.50 0.21 -0.05 0.00 0.00 175.22 173.17 2k87 s LYS 24 N 0.23 3.65 0.02 1.99 2.20 0.15 -4.87 119.74 123.10 2k87 s LYS 24 Ca 0.62 -0.01 -0.00 0.00 -0.36 0.00 0.00 55.97 56.23 2k87 s LYS 24 Cb -0.41 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2k87 s LYS 24 CO 0.38 0.30 0.11 -0.51 -0.36 0.00 0.00 175.35 175.26 2k87 s LEU 25 N -3.24 3.98 0.20 5.43 1.02 -1.26 -1.04 118.68 123.77 2k87 s LEU 25 Ca 0.43 0.15 -0.00 0.00 0.02 0.00 0.00 54.13 54.74 2k87 s LEU 25 Cb -0.11 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 2k87 s LEU 25 CO 0.27 0.24 0.09 0.42 0.02 0.00 0.00 176.35 177.40 2k87 s THR 26 N -1.28 0.25 0.10 5.49 -4.23 0.38 -4.85 115.64 111.50 2k87 s THR 26 Ca 0.26 -1.98 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 2k87 s THR 26 Cb -0.12 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.37 2k87 s THR 26 CO 0.17 -0.15 0.74 0.00 -0.54 0.00 0.00 174.62 174.84 2k87 h SER 28 N 1.34 0.45 -3.48 0.00 4.64 -2.01 -3.41 113.55 111.08 2k87 h SER 28 Ca -0.18 -0.43 -0.57 0.00 -0.47 0.00 0.00 61.79 60.14 2k87 h SER 28 Cb 0.81 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.71 2k87 h SER 28 CO 0.24 0.79 0.91 0.21 -0.87 0.00 0.00 176.83 178.11 2k87 s ASN 29 N -6.14 6.73 0.19 4.97 3.84 -1.26 -4.92 114.94 118.34 2k87 s ASN 29 Ca -0.14 0.78 0.02 0.00 0.21 0.00 0.00 52.86 53.74 2k87 s ASN 29 Cb 0.06 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.30 2k87 s ASN 29 CO 0.76 -1.11 1.44 0.71 -2.79 0.00 0.00 177.10 176.11 2k87 h THR 30 N 6.04 1.44 -0.43 -5.21 1.35 -1.93 -2.94 112.91 111.21 2k87 h THR 30 Ca -0.23 -2.35 -0.14 0.00 -0.55 0.00 0.00 66.41 63.15 2k87 h THR 30 Cb 1.07 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.74 2k87 h THR 30 CO 1.08 0.69 -0.27 0.50 -0.25 0.00 0.00 175.52 177.27 2k87 h LYS 31 N 0.16 0.93 -0.07 4.72 1.63 -1.92 -0.53 116.57 121.49 2k87 h LYS 31 Ca -0.03 -0.42 0.04 0.00 -0.85 0.00 0.00 60.65 59.39 2k87 h LYS 31 Cb 1.36 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.91 2k87 h LYS 31 CO 0.12 1.08 -0.32 0.35 -3.45 0.00 0.00 179.45 177.23 2k87 h PHE 32 N 0.79 -0.87 -0.94 1.91 3.57 -1.76 0.19 116.94 119.83 2k87 h PHE 32 Ca 0.09 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2k87 h PHE 32 Cb 0.84 0.39 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 2k87 h PHE 32 CO 0.05 -0.40 0.61 0.00 -2.23 0.00 0.00 178.31 176.34 2k87 h ALA 33 N 0.35 1.28 -0.04 2.41 0.00 -1.46 -1.84 119.26 119.97 2k87 h ALA 33 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k87 h ALA 33 Cb 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k87 h ALA 33 CO -0.31 0.42 -0.09 0.22 0.00 0.00 0.00 179.25 179.49 2k87 h ASP 34 N 1.13 0.15 -0.42 0.00 1.82 0.24 0.69 116.42 120.03 2k87 h ASP 34 Ca 0.40 -0.58 0.04 0.00 -0.39 0.00 0.00 57.03 56.50 2k87 h ASP 34 Cb 0.10 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 2k87 h ASP 34 CO -0.15 0.70 0.18 0.44 -1.61 0.00 0.00 179.24 178.80 2k87 h ASP 35 N -0.39 0.23 -0.20 2.28 3.32 -0.68 0.03 116.42 121.01 2k87 h ASP 35 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2k87 h ASP 35 Cb 0.68 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2k87 h ASP 35 CO 0.02 0.17 0.09 -0.07 -1.72 0.00 0.00 179.24 177.74 2k87 h LEU 36 N 0.37 0.26 -1.51 1.55 3.38 -1.25 -1.17 115.31 116.94 2k87 h LEU 36 Ca 0.19 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2k87 h LEU 36 Cb 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2k87 h LEU 36 CO -0.16 0.32 0.40 0.78 0.09 0.00 0.00 178.44 179.87 2k87 h ASN 37 N 0.19 0.54 -0.30 -0.43 2.35 -0.56 -2.26 115.58 115.10 2k87 h ASN 37 Ca 0.07 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 2k87 h ASN 37 Cb 0.13 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2k87 h ASN 37 CO -0.01 0.35 -0.30 1.56 -1.65 0.00 0.00 177.43 177.38 2k87 h GLN 38 N 0.61 0.73 -0.39 0.81 1.08 -0.32 -1.06 115.11 116.58 2k87 h GLN 38 Ca 0.26 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 2k87 h GLN 38 Cb 0.24 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2k87 h GLN 38 CO -0.08 1.01 0.03 0.52 -0.95 0.00 0.00 178.83 179.36 2k87 h MET 39 N 0.49 0.60 -0.00 1.46 2.86 -0.66 -2.52 114.93 117.16 2k87 h MET 39 Ca 0.05 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2k87 h MET 39 Cb 0.87 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2k87 h MET 39 CO 0.07 0.61 -0.29 -2.37 1.06 0.00 0.00 176.91 175.99 2k87 n THR 40 N -4.27 0.00 -2.24 2.22 5.66 -1.04 -4.96 114.28 109.64 2k87 n THR 40 Ca 0.02 -0.07 -0.05 0.00 -3.05 0.00 0.00 64.05 60.90 2k87 n THR 40 Cb 0.24 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2k87 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k87 n GLY 41 N 1.39 0.25 3.69 1.09 0.00 -0.89 -5.01 105.19 105.72 2k87 n GLY 41 Ca 0.10 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 2k87 n GLY 41 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k87 n PHE 42 N -3.81 1.76 -3.76 1.61 7.35 -0.45 -5.04 117.46 115.11 2k87 n PHE 42 Ca -0.05 0.46 -0.13 0.00 -0.76 0.00 0.00 57.45 56.98 2k87 n PHE 42 Cb 0.54 -2.29 -0.13 0.00 0.35 0.00 0.00 39.48 37.95 2k87 n PHE 42 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2k87 s THR 43 N -1.32 -0.02 0.85 -2.13 2.01 -1.26 -4.92 115.64 108.84 2k87 s THR 43 Ca 0.69 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 2k87 s THR 43 Cb -0.45 -0.34 0.10 0.00 0.01 0.00 0.00 72.50 71.81 2k87 s THR 43 CO 0.51 0.04 1.09 -0.54 -0.69 0.00 0.00 174.62 175.03 2k87 s LYS 44 N 0.78 1.62 -0.12 4.92 1.02 -1.26 -4.16 119.74 122.54 2k87 s LYS 44 Ca -0.05 0.79 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 2k87 s LYS 44 Cb -0.07 -1.85 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 2k87 s LYS 44 CO -0.05 -1.98 1.24 -1.25 -0.92 0.00 0.00 175.35 172.39 2k87 s PRO 45 N -5.00 4.28 0.26 -1.68 0.04 -1.26 -5.11 135.00 126.52 2k87 s PRO 45 Ca 0.62 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 2k87 s PRO 45 Cb -0.17 -3.68 -0.09 0.00 0.04 0.00 0.00 34.50 30.60 2k87 s PRO 45 CO 0.56 -0.61 1.27 0.00 0.04 0.00 0.00 177.00 178.26 2k87 s ALA 46 N 3.00 3.49 0.23 8.56 0.00 -1.26 -4.91 121.76 130.87 2k87 s ALA 46 Ca 0.55 1.11 0.25 0.00 0.00 0.00 0.00 51.96 53.88 2k87 s ALA 46 Cb -0.23 -3.45 1.11 0.00 0.00 0.00 0.00 23.12 20.55 2k87 s ALA 46 CO 0.18 -0.49 1.91 0.66 0.00 0.00 0.00 175.76 178.01 2k87 h SER 47 N 4.44 0.00 -5.03 0.00 4.64 -1.69 -3.46 113.55 112.45 2k87 h SER 47 Ca -0.46 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.93 2k87 h SER 47 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 2k87 h SER 47 CO 0.71 0.19 0.25 0.00 -0.87 0.00 0.00 176.83 177.11 2k87 s ARG 48 N -3.82 1.74 -0.34 4.77 1.70 -1.26 -4.98 118.95 116.77 2k87 s ARG 48 Ca -0.01 -0.96 -0.00 0.00 -0.47 0.00 0.00 55.73 54.29 2k87 s ARG 48 Cb 0.11 0.59 0.11 0.00 -0.57 0.00 0.00 34.95 35.20 2k87 s ARG 48 CO 0.62 -0.80 0.14 -1.21 -1.08 0.00 0.00 175.30 172.97 2k87 s GLU 49 N -3.87 0.75 0.73 3.89 2.02 -1.26 -0.67 118.70 120.29 2k87 s GLU 49 Ca 0.11 -1.23 -0.11 0.00 0.02 0.00 0.00 54.97 53.76 2k87 s GLU 49 Cb -0.06 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.31 2k87 s GLU 49 CO 0.07 -1.05 1.08 -0.51 0.02 0.00 0.00 175.26 174.86 2k87 s LEU 50 N 1.36 2.89 0.03 1.80 1.43 -0.21 -4.92 118.68 121.06 2k87 s LEU 50 Ca 0.12 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 2k87 s LEU 50 Cb -0.19 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2k87 s LEU 50 CO -0.19 -1.55 -0.06 -0.55 0.23 0.00 0.00 176.35 174.23 2k87 s SER 51 N -4.00 0.69 0.10 2.29 0.15 -1.26 -0.47 113.70 111.20 2k87 s SER 51 Ca 0.59 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.85 2k87 s SER 51 Cb -0.13 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2k87 s SER 51 CO 0.54 -0.16 0.05 -0.69 1.20 0.00 0.00 173.24 174.18 2k87 s VAL 52 N -1.09 4.27 -0.02 4.45 1.01 -0.33 -1.25 120.40 127.44 2k87 s VAL 52 Ca -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.99 2k87 s VAL 52 Cb -0.08 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 2k87 s VAL 52 CO 0.00 0.08 -0.11 0.42 0.00 0.00 0.00 175.10 175.49 2k87 s THR 53 N -1.42 0.89 -0.04 3.92 -4.23 -1.22 -4.47 115.64 109.07 2k87 s THR 53 Ca 0.28 -0.44 -0.27 0.00 -1.18 0.00 0.00 61.69 60.08 2k87 s THR 53 Cb -0.12 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 2k87 s THR 53 CO 0.20 0.27 0.85 -0.36 -0.54 0.00 0.00 174.62 175.04 2k87 s PHE 54 N 0.06 3.61 0.73 3.99 0.08 -1.26 -0.62 117.98 124.57 2k87 s PHE 54 Ca -0.01 1.48 -0.16 0.00 0.12 0.00 0.00 56.93 58.36 2k87 s PHE 54 Cb -0.08 -2.97 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 2k87 s PHE 54 CO 0.00 0.03 0.97 0.34 -0.10 0.00 0.00 175.22 176.46 2k87 n PHE 55 N 3.89 0.64 -2.56 0.36 7.35 -0.70 -2.31 117.46 124.13 2k87 n PHE 55 Ca 0.03 0.39 -0.41 0.00 -0.76 0.00 0.00 57.45 56.70 2k87 n PHE 55 Cb 0.51 -2.08 -0.03 0.00 0.35 0.00 0.00 39.48 38.24 2k87 n PHE 55 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2k87 s PRO 56 N -3.38 3.47 -0.23 -7.13 0.04 -1.26 -5.01 135.00 121.50 2k87 s PRO 56 Ca 0.73 -0.87 -0.15 0.00 0.04 0.00 0.00 61.00 60.75 2k87 s PRO 56 Cb -0.34 -5.00 0.07 0.00 0.04 0.00 0.00 34.50 29.27 2k87 s PRO 56 CO 0.51 -2.19 0.57 0.34 0.04 0.00 0.00 177.00 176.27 2k87 s ASP 57 N 4.59 -0.70 -0.03 6.66 2.15 -0.98 -5.07 116.67 123.29 2k87 s ASP 57 Ca 0.42 1.21 0.12 0.00 0.43 0.00 0.00 52.55 54.74 2k87 s ASP 57 Cb -0.03 1.14 0.22 0.00 -0.30 0.00 0.00 42.92 43.95 2k87 s ASP 57 CO -0.02 -0.21 1.10 0.00 -0.17 0.00 0.00 175.17 175.86 2k87 n LEU 58 N 3.75 0.82 0.19 -1.34 -0.00 -1.26 -4.18 117.00 114.99 2k87 n LEU 58 Ca -0.19 -1.81 0.07 0.00 -0.00 0.00 0.00 56.01 54.08 2k87 n LEU 58 Cb 0.57 -0.09 0.30 0.00 -0.00 0.00 0.00 43.42 44.20 2k87 n LEU 58 CO 0.04 0.48 0.69 0.78 -0.00 0.00 0.00 177.39 179.38 2k87 h ASN 59 N 0.46 0.00 -2.95 1.45 -0.26 -1.94 -3.47 115.58 108.87 2k87 h ASN 59 Ca -0.09 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.33 2k87 h ASN 59 Cb 1.52 0.00 0.17 0.00 -1.06 0.00 0.00 38.32 38.94 2k87 h ASN 59 CO 0.04 0.31 0.04 0.61 -1.06 0.00 0.00 177.43 177.37 2k87 n GLY 60 N 0.54 -3.03 0.18 2.83 0.00 -1.26 -4.94 105.19 99.50 2k87 n GLY 60 Ca 0.01 -1.43 0.03 0.00 0.00 0.00 0.00 46.02 44.62 2k87 n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k87 h ASP 61 N -2.69 0.00 -2.08 1.61 1.82 -1.65 -3.46 116.42 109.98 2k87 h ASP 61 Ca -0.34 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 55.71 2k87 h ASP 61 Cb 1.07 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.95 2k87 h ASP 61 CO 0.22 0.40 -0.54 -0.69 -1.61 0.00 0.00 179.24 177.02 2k87 s VAL 62 N -4.02 1.06 0.15 2.25 1.01 -0.38 -4.68 120.40 115.78 2k87 s VAL 62 Ca -0.02 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 59.97 2k87 s VAL 62 Cb 0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2k87 s VAL 62 CO 0.72 0.00 -0.01 -0.69 0.00 0.00 0.00 175.10 175.12 2k87 s VAL 63 N -3.06 0.59 -0.03 2.92 1.01 -1.02 -3.37 120.40 117.44 2k87 s VAL 63 Ca 0.22 -1.96 0.04 0.00 0.00 0.00 0.00 61.98 60.28 2k87 s VAL 63 Cb 0.04 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 2k87 s VAL 63 CO 0.11 -0.59 -0.15 0.00 0.00 0.00 0.00 175.10 174.48 2k87 s ALA 64 N -3.71 1.31 -0.01 5.51 0.00 0.21 -2.81 121.76 122.26 2k87 s ALA 64 Ca 0.21 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.64 2k87 s ALA 64 Cb 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2k87 s ALA 64 CO 0.01 0.26 -0.25 0.42 0.00 0.00 0.00 175.76 176.20 2k87 s ILE 65 N -0.04 1.96 0.52 0.00 -1.09 0.06 -1.73 121.20 120.89 2k87 s ILE 65 Ca -0.01 -1.08 -0.23 0.00 -2.23 0.00 0.00 60.65 57.10 2k87 s ILE 65 Cb -0.09 -1.63 -0.06 0.00 -1.58 0.00 0.00 42.46 39.10 2k87 s ILE 65 CO 0.01 0.53 1.38 -0.90 -1.23 0.00 0.00 174.94 174.74 2k87 n ASP 66 N 2.41 2.89 0.26 3.58 5.75 -1.26 -2.65 116.55 127.53 2k87 n ASP 66 Ca -0.16 1.02 0.13 0.00 -0.01 0.00 0.00 54.79 55.77 2k87 n ASP 66 Cb 0.51 -1.59 0.69 0.00 -1.03 0.00 0.00 41.12 39.71 2k87 n ASP 66 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2k87 h TYR 67 N 1.69 0.00 -0.59 2.11 5.03 -1.55 -2.04 116.97 121.63 2k87 h TYR 67 Ca -0.51 0.00 0.05 0.00 2.58 0.00 0.00 58.73 60.85 2k87 h TYR 67 Cb 1.29 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.53 2k87 h TYR 67 CO 0.47 0.00 0.32 0.00 -1.32 0.00 0.00 178.16 177.63 2k87 h ARG 68 N 0.00 0.60 0.00 1.82 2.47 -1.89 -1.13 114.38 116.24 2k87 h ARG 68 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2k87 h ARG 68 Cb 0.50 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2k87 h ARG 68 CO 0.00 0.40 0.00 0.72 0.56 0.00 0.00 179.97 181.65 2k87 n HIS 69 N -4.82 0.00 -2.21 3.04 8.25 -0.77 -4.67 115.22 114.05 2k87 n HIS 69 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 2k87 n HIS 69 Cb 0.14 -0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 2k87 n HIS 69 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2k87 s TYR 70 N -2.37 2.04 0.55 4.41 5.04 -0.43 -4.96 117.35 121.63 2k87 s TYR 70 Ca 0.14 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 2k87 s TYR 70 Cb 0.09 -4.25 0.03 0.00 0.35 0.00 0.00 41.96 38.18 2k87 s TYR 70 CO 0.18 -1.79 0.79 0.45 -1.34 0.00 0.00 175.55 173.83 2k87 s SER 71 N 7.05 5.33 0.37 4.32 0.15 -1.26 -5.02 113.70 124.64 2k87 s SER 71 Ca 0.63 0.11 0.28 0.00 0.70 0.00 0.00 55.95 57.67 2k87 s SER 71 Cb -0.04 -1.04 1.13 0.00 -1.71 0.00 0.00 66.02 64.36 2k87 s SER 71 CO -0.03 -1.11 1.82 0.00 1.20 0.00 0.00 173.24 175.12 2k87 h ALA 72 N 0.05 1.00 -0.16 5.45 0.00 -2.02 -2.84 119.26 120.73 2k87 h ALA 72 Ca -0.43 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2k87 h ALA 72 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2k87 h ALA 72 CO 0.54 0.00 0.11 0.77 0.00 0.00 0.00 179.25 180.67 2k87 h SER 73 N 0.00 0.05 -0.61 0.00 0.02 -1.97 -3.07 113.55 107.97 2k87 h SER 73 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k87 h SER 73 Cb 0.43 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2k87 h SER 73 CO 0.00 0.04 0.00 0.49 -1.14 0.00 0.00 176.83 176.22 2k87 n PHE 74 N -4.50 1.76 0.25 3.45 3.72 -1.07 -4.72 117.46 116.34 2k87 n PHE 74 Ca 0.00 -0.67 0.15 0.00 -0.05 0.00 0.00 57.45 56.88 2k87 n PHE 74 Cb 0.20 -0.37 0.75 0.00 -0.94 0.00 0.00 39.48 39.12 2k87 n PHE 74 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2k87 h LYS 75 N 4.02 0.00 -0.25 -1.08 3.64 -1.72 -1.39 116.57 119.79 2k87 h LYS 75 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k87 h LYS 75 Cb 1.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 2k87 h LYS 75 CO 0.35 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 179.16 2k87 n LYS 76 N -2.53 2.33 0.00 1.90 5.02 -1.26 -4.92 118.16 118.71 2k87 n LYS 76 Ca -0.01 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 2k87 n LYS 76 Cb 0.08 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2k87 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k87 n GLY 77 N 0.44 2.71 3.49 0.72 0.00 -0.53 -4.40 105.19 107.63 2k87 n GLY 77 Ca 0.09 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 2k87 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k87 s ALA 78 N -2.62 0.33 0.22 4.61 0.00 -1.26 -1.10 121.76 121.94 2k87 s ALA 78 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2k87 s ALA 78 Cb 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.23 2k87 s ALA 78 CO 0.00 -0.79 0.15 -1.59 0.00 0.00 0.00 175.76 173.53 2k87 s LYS 79 N -3.71 1.28 0.00 0.00 -2.85 0.33 -3.26 119.74 111.52 2k87 s LYS 79 Ca 0.28 -1.68 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 2k87 s LYS 79 Cb 0.01 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 2k87 s LYS 79 CO 0.13 -0.42 0.00 -0.11 0.10 0.00 0.00 175.35 175.05 2k87 n LEU 80 N -0.32 0.00 -0.17 2.77 7.94 0.07 -1.59 117.00 125.69 2k87 n LEU 80 Ca 0.03 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.88 2k87 n LEU 80 Cb 0.66 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.56 2k87 n LEU 80 CO 0.33 0.00 0.49 0.25 -1.11 0.00 0.00 177.39 177.35 2k87 h LEU 81 N 0.00 -0.95 -1.57 -1.96 7.12 -1.89 -3.36 115.31 112.69 2k87 h LEU 81 Ca 0.00 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.15 2k87 h LEU 81 Cb 0.00 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2k87 h LEU 81 CO 0.00 -0.11 -0.31 0.00 -0.13 0.00 0.00 178.44 177.89 2k87 n HIS 82 N -3.98 0.00 -4.28 1.25 1.44 -1.26 -5.11 115.22 103.28 2k87 n HIS 82 Ca 0.01 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 2k87 n HIS 82 Cb 0.12 0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.14 2k87 n HIS 82 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2k87 s LYS 83 N 0.00 1.19 0.64 -1.40 1.02 -1.26 -5.17 119.74 114.76 2k87 s LYS 83 Ca 0.00 -1.57 -0.10 0.00 0.02 0.00 0.00 55.97 54.32 2k87 s LYS 83 Cb 0.00 -0.50 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2k87 s LYS 83 CO 0.00 -0.07 1.01 -1.25 -0.92 0.00 0.00 175.35 174.13 2k87 s PRO 84 N -3.85 3.13 0.11 -1.68 0.04 -1.26 -0.75 135.00 130.73 2k87 s PRO 84 Ca 0.24 0.42 0.03 0.00 0.04 0.00 0.00 61.00 61.73 2k87 s PRO 84 Cb 0.05 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2k87 s PRO 84 CO 0.05 -0.77 -0.09 0.96 0.04 0.00 0.00 177.00 177.19 2k87 s ILE 85 N -3.18 0.90 0.19 0.56 -5.25 -1.20 -2.43 121.20 110.78 2k87 s ILE 85 Ca 0.55 -1.84 0.01 0.00 -0.99 0.00 0.00 60.65 58.39 2k87 s ILE 85 Cb -0.11 -1.58 -0.05 0.00 2.95 0.00 0.00 42.46 43.67 2k87 s ILE 85 CO 0.50 -0.72 0.03 0.68 -1.79 0.00 0.00 174.94 173.64 2k87 s VAL 86 N -3.07 0.59 -0.12 8.37 -7.23 -1.12 -4.64 120.40 113.17 2k87 s VAL 86 Ca 0.10 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 2k87 s VAL 86 Cb 0.01 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2k87 s VAL 86 CO -0.02 -0.36 0.51 0.26 -0.31 0.00 0.00 175.10 175.18 2k87 s TRP 87 N -3.72 3.50 0.22 2.82 0.52 -1.26 -0.76 118.94 120.27 2k87 s TRP 87 Ca 0.27 0.92 0.08 0.00 0.02 0.00 0.00 56.10 57.39 2k87 s TRP 87 Cb 0.07 -2.60 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 2k87 s TRP 87 CO 0.06 0.12 -0.15 -3.38 0.02 0.00 0.00 176.95 173.62 2k87 s HIS 88 N 0.80 1.81 -0.01 -1.98 -3.43 -1.08 -4.81 115.29 106.58 2k87 s HIS 88 Ca 0.27 -0.54 0.01 0.00 -0.80 0.00 0.00 55.06 54.00 2k87 s HIS 88 Cb -0.15 -0.84 0.02 0.00 -1.43 0.00 0.00 32.58 30.18 2k87 s HIS 88 CO 0.11 0.41 0.86 1.51 -2.00 0.00 0.00 174.74 175.63 2k87 n ILE 89 N -0.43 0.73 0.00 -5.38 3.06 -0.94 -1.30 119.36 115.10 2k87 n ILE 89 Ca -0.07 -0.76 0.00 0.00 -2.50 0.00 0.00 62.75 59.42 2k87 n ILE 89 Cb 0.60 0.59 0.00 0.00 0.54 0.00 0.00 39.64 41.38 2k87 n ILE 89 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2k87 n ASN 90 N -0.40 0.00 -1.32 9.51 2.04 -1.26 -4.86 115.26 118.97 2k87 n ASN 90 Ca 0.01 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 54.02 2k87 n ASN 90 Cb 0.37 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.59 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k87 n GLN 91 N 0.00 -1.02 -4.31 -3.83 6.02 -1.26 -5.03 117.38 107.95 2k87 n GLN 91 Ca 0.00 0.80 -0.17 0.00 -0.01 0.00 0.00 57.00 57.62 2k87 n GLN 91 Cb 0.00 -4.97 -0.10 0.00 1.02 0.00 0.00 30.24 26.19 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k87 s ALA 92 N -2.60 1.77 0.22 -1.58 0.00 -1.26 -4.46 121.76 113.85 2k87 s ALA 92 Ca 0.00 -1.63 0.06 0.00 0.00 0.00 0.00 51.96 50.39 2k87 s ALA 92 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2k87 s ALA 92 CO 0.00 -0.07 0.25 -0.08 0.00 0.00 0.00 175.76 175.86 2k87 s THR 93 N -3.21 4.82 0.25 0.00 -1.32 -1.26 -2.22 115.64 112.70 2k87 s THR 93 Ca 0.22 -1.13 -0.10 0.00 -1.21 0.00 0.00 61.69 59.46 2k87 s THR 93 Cb 0.02 -3.57 -0.01 0.00 -1.51 0.00 0.00 72.50 67.43 2k87 s THR 93 CO 0.05 -0.27 0.43 0.42 -2.21 0.00 0.00 174.62 173.03 2k87 s THR 94 N -1.98 0.00 0.59 5.08 -4.23 -1.26 -4.98 115.64 108.86 2k87 s THR 94 Ca 0.33 -1.51 0.29 0.00 -1.18 0.00 0.00 61.69 59.62 2k87 s THR 94 Cb -0.09 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.83 2k87 s THR 94 CO 0.26 0.00 2.03 0.11 -0.54 0.00 0.00 174.62 176.49 2k87 h LYS 95 N 2.30 0.00 -0.36 3.99 6.56 -2.01 0.33 116.57 127.38 2k87 h LYS 95 Ca -0.28 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.23 2k87 h LYS 95 Cb 1.25 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.90 2k87 h LYS 95 CO 0.38 0.00 -0.10 1.15 -2.06 0.00 0.00 179.45 178.83 2k87 h THR 96 N 0.00 1.28 -0.00 -0.16 2.02 -2.02 -3.35 112.91 110.67 2k87 h THR 96 Ca 0.13 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2k87 h THR 96 Cb 0.71 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2k87 h THR 96 CO -0.00 0.39 -0.67 0.35 0.37 0.00 0.00 175.52 175.95 2k87 n THR 97 N -4.38 0.00 0.08 3.16 -2.24 -0.66 -4.56 114.28 105.68 2k87 n THR 97 Ca -0.02 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2k87 n THR 97 Cb 0.35 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 2k87 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k87 h PHE 98 N 0.40 -0.35 -0.28 4.78 3.57 -0.51 0.54 116.94 125.08 2k87 h PHE 98 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2k87 h PHE 98 Cb 0.42 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 2k87 h PHE 98 CO 0.00 -0.17 -0.32 0.87 -2.23 0.00 0.00 178.31 176.46 2k87 h LYS 99 N -0.26 -0.30 0.00 1.11 1.57 -1.80 0.11 116.57 117.00 2k87 h LYS 99 Ca -0.02 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2k87 h LYS 99 Cb 0.22 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2k87 h LYS 99 CO -0.01 -0.20 -0.11 -1.00 -0.57 0.00 0.00 179.45 177.56 2k87 h PRO 100 N -0.31 0.00 0.00 3.15 0.13 -1.78 -2.40 132.00 130.79 2k87 h PRO 100 Ca 0.14 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.09 2k87 h PRO 100 Cb 0.53 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 2k87 h PRO 100 CO -0.45 0.11 -0.88 -0.91 -0.23 0.00 0.00 178.00 175.64 2k87 h ASN 101 N 0.00 0.00 -0.92 1.44 2.35 0.53 -3.23 115.58 115.75 2k87 h ASN 101 Ca -0.00 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 2k87 h ASN 101 Cb 0.50 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.80 2k87 h ASN 101 CO 0.01 0.85 0.59 0.71 -1.65 0.00 0.00 177.43 177.94 2k87 h THR 102 N 0.00 0.87 0.00 2.81 1.35 -0.50 -0.23 112.91 117.21 2k87 h THR 102 Ca -0.02 -0.27 -0.10 0.00 -0.55 0.00 0.00 66.41 65.47 2k87 h THR 102 Cb 1.66 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2k87 h THR 102 CO 0.11 0.14 -0.49 -0.50 -0.25 0.00 0.00 175.52 174.53 2k87 h TRP 103 N 0.78 0.00 -0.41 4.73 4.06 -1.61 -0.90 115.95 122.60 2k87 h TRP 103 Ca 0.46 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.38 2k87 h TRP 103 Cb 0.63 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 2k87 h TRP 103 CO -0.00 0.49 0.14 0.00 -3.56 0.00 0.00 178.44 175.52 2k87 n LEU 105 N -4.61 0.11 -0.00 0.00 4.77 -0.59 -0.22 117.00 116.46 2k87 n LEU 105 Ca -0.00 -0.06 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 2k87 n LEU 105 Cb 0.17 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2k87 n LEU 105 CO 0.38 0.03 -0.40 0.54 -1.33 0.00 0.00 177.39 176.60 2k87 n ARG 106 N -0.40 1.33 0.00 3.23 1.74 -0.45 -4.72 116.66 117.38 2k87 n ARG 106 Ca 0.00 -0.07 -0.03 0.00 -0.77 0.00 0.00 57.85 56.98 2k87 n ARG 106 Cb 0.03 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.11 2k87 n ARG 106 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k87 n LEU 108 N -2.87 0.00 -4.77 0.00 4.77 -0.64 -4.78 117.00 108.71 2k87 n LEU 108 Ca -0.14 0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 2k87 n LEU 108 Cb 0.91 -0.37 0.12 0.00 -2.33 0.00 0.00 43.42 41.75 2k87 n LEU 108 CO 0.44 -0.12 0.70 0.26 -1.33 0.00 0.00 177.39 177.33 2k87 s TRP 109 N -2.74 2.58 -0.07 -1.77 0.51 -1.24 -5.01 118.94 111.19 2k87 s TRP 109 Ca 0.15 1.09 0.03 0.00 -2.12 0.00 0.00 56.10 55.26 2k87 s TRP 109 Cb 0.13 -3.20 0.01 0.00 -0.81 0.00 0.00 33.47 29.60 2k87 s TRP 109 CO 0.33 -2.14 -0.17 -1.12 -0.51 0.00 0.00 176.95 173.34 2k87 s SER 110 N -3.78 2.24 -0.65 2.95 0.01 0.61 -4.74 113.70 110.34 2k87 s SER 110 Ca 0.62 -0.38 -0.27 0.00 1.31 0.00 0.00 55.95 57.23 2k87 s SER 110 Cb -0.16 -0.92 0.01 0.00 0.21 0.00 0.00 66.02 65.16 2k87 s SER 110 CO 0.55 0.10 1.49 0.42 0.41 0.00 0.00 173.24 176.21 2k87 s THR 111 N 0.40 3.64 -0.26 1.44 -4.23 -1.26 -1.22 115.64 114.14 2k87 s THR 111 Ca -0.13 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.81 2k87 s THR 111 Cb -0.15 -4.49 0.15 0.00 1.34 0.00 0.00 72.50 69.35 2k87 s THR 111 CO 0.05 -1.37 0.42 -0.54 -0.54 0.00 0.00 174.62 172.63 2k87 s LYS 112 N 6.03 0.40 0.97 3.99 -0.14 -1.26 -4.99 119.74 124.74 2k87 s LYS 112 Ca 0.50 0.46 -0.14 0.00 -1.36 0.00 0.00 55.97 55.42 2k87 s LYS 112 Cb -0.10 -0.30 0.18 0.00 -1.68 0.00 0.00 37.83 35.93 2k87 s LYS 112 CO 0.20 -0.77 1.18 -1.25 -0.76 0.00 0.00 175.35 173.95 2k87 s PRO 113 N 2.59 0.65 -0.53 -1.68 0.04 -1.26 -4.13 135.00 130.69 2k87 s PRO 113 Ca 0.13 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2k87 s PRO 113 Cb -0.14 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2k87 s PRO 113 CO -0.21 -2.48 0.00 1.33 0.04 0.00 0.00 177.00 175.68 2k87 n VAL 114 N -3.91 -0.07 -0.58 -0.36 0.24 -1.26 -4.67 118.33 107.72 2k87 n VAL 114 Ca 0.10 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.41 2k87 n VAL 114 Cb 0.59 -0.57 0.01 0.00 -1.47 0.00 0.00 33.84 32.41 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k87 n ASP 115 N -0.17 1.20 -0.95 -1.34 2.03 -1.26 -5.31 116.55 110.76 2k87 n ASP 115 Ca -0.06 -1.75 0.12 0.00 0.52 0.00 0.00 54.79 53.62 2k87 n ASP 115 Cb 0.28 -0.05 0.10 0.00 -0.72 0.00 0.00 41.12 40.72 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69