#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 n TYR 2 N 0.00 0.00 -0.58 1.12 4.11 -1.26 -4.86 117.16 115.69 2k87 n TYR 2 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 2k87 n TYR 2 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.34 39.40 2k87 n TYR 2 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2k87 n THR 3 N 0.00 1.33 -1.68 -3.48 -1.04 -1.26 -5.00 114.28 103.15 2k87 n THR 3 Ca 0.00 -1.50 -0.54 0.00 -2.04 0.00 0.00 64.05 59.98 2k87 n THR 3 Cb 0.00 0.19 -0.06 0.00 -1.82 0.00 0.00 70.33 68.64 2k87 n THR 3 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k87 n GLU 4 N -0.88 1.53 -1.83 -2.82 2.13 -1.26 -4.97 120.64 112.53 2k87 n GLU 4 Ca 0.07 0.55 -0.35 0.00 0.66 0.00 0.00 57.16 58.09 2k87 n GLU 4 Cb 0.45 -2.34 0.05 0.00 0.27 0.00 0.00 31.44 29.87 2k87 n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2k87 s GLN 5 N 3.99 2.72 0.85 5.31 -0.21 -1.26 -4.61 119.66 126.45 2k87 s GLN 5 Ca 0.97 1.80 -0.11 0.00 0.02 0.00 0.00 55.36 58.05 2k87 s GLN 5 Cb -0.91 -1.90 0.10 0.00 1.00 0.00 0.00 33.01 31.30 2k87 s GLN 5 CO 0.59 -1.40 1.10 -1.25 -2.12 0.00 0.00 175.29 172.21 2k87 s PRO 6 N -3.53 1.64 -0.75 2.91 0.04 -1.26 -4.86 135.00 129.19 2k87 s PRO 6 Ca 0.76 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 2k87 s PRO 6 Cb -0.30 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2k87 s PRO 6 CO 0.37 -2.05 1.78 0.42 0.04 0.00 0.00 177.00 177.56 2k87 s ILE 7 N -2.87 3.48 -0.44 0.56 1.09 -1.26 -4.11 121.20 117.65 2k87 s ILE 7 Ca 0.63 -0.03 0.00 0.00 -1.10 0.00 0.00 60.65 60.15 2k87 s ILE 7 Cb -0.18 -4.18 0.00 0.00 -1.06 0.00 0.00 42.46 37.04 2k87 s ILE 7 CO 0.57 -1.13 0.00 -0.67 -0.10 0.00 0.00 174.94 173.61 2k87 n ASP 8 N 12.37 -1.48 -4.75 3.58 2.03 -1.26 -4.86 116.55 122.17 2k87 n ASP 8 Ca 0.25 0.21 -0.40 0.00 0.52 0.00 0.00 54.79 55.37 2k87 n ASP 8 Cb 0.50 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.27 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2k87 s LEU 9 N -3.54 4.63 -0.08 -2.67 0.20 -1.26 -4.07 118.68 111.90 2k87 s LEU 9 Ca 0.00 1.95 -0.04 0.00 0.69 0.00 0.00 54.13 56.72 2k87 s LEU 9 Cb 0.00 -3.61 0.04 0.00 -0.43 0.00 0.00 46.19 42.19 2k87 s LEU 9 CO 0.00 0.13 0.19 0.68 -0.29 0.00 0.00 176.35 177.06 2k87 s VAL 10 N -1.07 -0.04 0.58 1.68 -7.23 -0.46 -4.91 120.40 108.95 2k87 s VAL 10 Ca 0.42 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.54 2k87 s VAL 10 Cb -0.26 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 2k87 s VAL 10 CO 0.32 0.06 1.14 -2.16 -0.31 0.00 0.00 175.10 174.14 2k87 s PRO 11 N 1.03 3.14 0.00 4.82 0.04 -1.26 -1.01 135.00 141.76 2k87 s PRO 11 Ca -0.08 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2k87 s PRO 11 Cb -0.09 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k87 s PRO 11 CO -0.06 -1.01 0.00 -2.37 0.04 0.00 0.00 177.00 173.60 2k87 n THR 12 N -1.64 0.00 -4.16 1.26 5.66 -0.61 -4.84 114.28 109.95 2k87 n THR 12 Ca 0.12 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.01 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 1.05 0.94 0.87 1.09 -0.21 -1.26 -4.31 119.66 117.84 2k87 s GLN 13 Ca 0.00 -1.45 -0.12 0.00 0.02 0.00 0.00 55.36 53.82 2k87 s GLN 13 Cb 0.00 0.16 0.12 0.00 1.00 0.00 0.00 33.01 34.28 2k87 s GLN 13 CO 0.00 -0.23 1.09 -1.25 -2.12 0.00 0.00 175.29 172.78 2k87 s PRO 14 N -4.02 1.45 0.39 2.91 0.04 -1.26 -4.94 135.00 129.56 2k87 s PRO 14 Ca 0.23 0.75 -0.26 0.00 0.04 0.00 0.00 61.00 61.77 2k87 s PRO 14 Cb 0.07 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2k87 s PRO 14 CO 0.02 -2.09 1.19 -0.51 0.04 0.00 0.00 177.00 175.65 2k87 s LEU 15 N -6.10 4.22 0.67 -3.56 2.01 -1.23 -4.98 118.68 109.71 2k87 s LEU 15 Ca 0.63 2.40 -0.12 0.00 0.01 0.00 0.00 54.13 57.05 2k87 s LEU 15 Cb -0.17 -3.97 -0.01 0.00 0.01 0.00 0.00 46.19 42.06 2k87 s LEU 15 CO 0.56 -0.67 1.05 -2.16 1.01 0.00 0.00 176.35 176.15 2k87 s PRO 16 N -2.22 3.09 0.00 1.29 0.04 -1.26 -3.97 135.00 131.96 2k87 s PRO 16 Ca 0.56 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2k87 s PRO 16 Cb -0.32 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2k87 s PRO 16 CO 0.41 -0.98 0.00 0.27 0.04 0.00 0.00 177.00 176.74 2k87 n ASN 17 N -2.90 0.00 -4.70 6.66 0.23 -1.26 -4.90 115.26 108.39 2k87 n ASN 17 Ca 0.07 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.79 2k87 n ASN 17 Cb 0.53 -1.24 0.13 0.00 -2.08 0.00 0.00 39.78 37.12 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k87 s ALA 18 N -0.64 1.85 -0.05 -2.53 0.00 -1.25 -4.13 121.76 115.00 2k87 s ALA 18 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 2k87 s ALA 18 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2k87 s ALA 18 CO 0.00 -2.27 0.45 -1.54 0.00 0.00 0.00 175.76 172.40 2k87 s SER 19 N -2.23 -0.39 0.53 0.00 1.04 0.24 -4.87 113.70 108.03 2k87 s SER 19 Ca 0.72 0.42 -0.22 0.00 0.48 0.00 0.00 55.95 57.35 2k87 s SER 19 Cb -0.28 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 2k87 s SER 19 CO 0.51 -0.45 1.35 0.12 0.98 0.00 0.00 173.24 175.74 2k87 s PHE 20 N -1.04 2.35 0.26 5.02 5.36 -1.26 -1.13 117.98 127.54 2k87 s PHE 20 Ca -0.11 1.37 0.02 0.00 -0.96 0.00 0.00 56.93 57.25 2k87 s PHE 20 Cb -0.03 -3.78 -0.01 0.00 -0.34 0.00 0.00 43.02 38.86 2k87 s PHE 20 CO 0.05 -2.80 0.06 -3.47 -1.46 0.00 0.00 175.22 167.61 2k87 n ASP 21 N -0.89 1.61 -0.11 6.13 -0.08 -1.26 -4.86 116.55 117.10 2k87 n ASP 21 Ca 0.09 -2.32 0.00 0.00 -1.51 0.00 0.00 54.79 51.05 2k87 n ASP 21 Cb 0.45 0.51 0.00 0.00 2.34 0.00 0.00 41.12 44.41 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 -1.58 0.18 -4.76 1.67 5.03 -1.26 -4.89 115.26 109.65 2k87 n ASN 22 Ca -0.06 -1.64 -0.37 0.00 0.87 0.00 0.00 54.58 53.38 2k87 n ASN 22 Cb 0.37 -0.09 0.01 0.00 -1.02 0.00 0.00 39.78 39.06 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 -1.79 2.64 0.15 3.10 -0.12 -1.26 -2.17 117.98 118.53 2k87 s PHE 23 Ca 0.00 1.49 0.06 0.00 -0.05 0.00 0.00 56.93 58.44 2k87 s PHE 23 Cb 0.00 -3.49 -0.04 0.00 -0.63 0.00 0.00 43.02 38.86 2k87 s PHE 23 CO 0.00 -1.96 0.04 0.21 -0.05 0.00 0.00 175.22 173.45 2k87 s LYS 24 N -2.90 2.57 -0.05 1.99 2.20 0.20 -4.84 119.74 118.91 2k87 s LYS 24 Ca 0.69 -0.98 -0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2k87 s LYS 24 Cb -0.31 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.50 2k87 s LYS 24 CO 0.37 0.48 -0.00 -0.51 -0.36 0.00 0.00 175.35 175.33 2k87 s LEU 25 N -2.84 3.52 0.15 5.43 1.02 -1.26 -1.09 118.68 123.61 2k87 s LEU 25 Ca 0.28 0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.52 2k87 s LEU 25 Cb -0.10 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 2k87 s LEU 25 CO 0.20 0.33 -0.04 0.42 0.02 0.00 0.00 176.35 177.28 2k87 s THR 26 N -0.97 0.82 0.10 5.49 -4.23 0.43 -4.80 115.64 112.48 2k87 s THR 26 Ca 0.16 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.42 2k87 s THR 26 Cb -0.11 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.83 2k87 s THR 26 CO 0.06 -0.62 0.88 0.00 -0.54 0.00 0.00 174.62 174.39 2k87 h SER 28 N 2.00 0.77 -3.41 0.00 0.87 -2.00 -3.37 113.55 108.41 2k87 h SER 28 Ca -0.24 -0.06 -0.59 0.00 -1.23 0.00 0.00 61.79 59.67 2k87 h SER 28 Cb 1.24 -0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.92 2k87 h SER 28 CO 0.29 0.63 0.55 0.21 -0.53 0.00 0.00 176.83 177.97 2k87 s ASN 29 N -6.48 6.73 0.12 6.23 3.84 -1.26 -4.95 114.94 119.17 2k87 s ASN 29 Ca -0.10 0.73 -0.20 0.00 0.21 0.00 0.00 52.86 53.50 2k87 s ASN 29 Cb 0.17 -2.45 -0.04 0.00 -0.55 0.00 0.00 41.25 38.38 2k87 s ASN 29 CO 0.78 -0.73 1.71 0.71 -2.79 0.00 0.00 177.10 176.78 2k87 h THR 30 N 5.68 0.81 -0.78 -5.21 1.35 -1.96 -2.61 112.91 110.19 2k87 h THR 30 Ca -0.23 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.70 2k87 h THR 30 Cb 1.08 0.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.26 2k87 h THR 30 CO 0.94 0.00 0.46 0.50 -0.25 0.00 0.00 175.52 177.17 2k87 h LYS 31 N -0.01 0.79 0.52 4.72 1.63 -1.94 -0.11 116.57 122.17 2k87 h LYS 31 Ca 0.09 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2k87 h LYS 31 Cb 0.14 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 2k87 h LYS 31 CO -0.18 0.52 -0.33 0.35 -3.45 0.00 0.00 179.45 176.36 2k87 h PHE 32 N 0.81 -0.88 -0.86 1.91 3.57 -1.74 0.25 116.94 120.01 2k87 h PHE 32 Ca 0.35 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.96 2k87 h PHE 32 Cb 0.23 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.21 2k87 h PHE 32 CO -0.06 -0.50 0.49 0.00 -2.23 0.00 0.00 178.31 176.01 2k87 h ALA 33 N -0.40 1.26 -0.08 2.41 0.00 -1.23 -1.77 119.26 119.44 2k87 h ALA 33 Ca -0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k87 h ALA 33 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k87 h ALA 33 CO 0.05 0.07 -0.04 0.22 0.00 0.00 0.00 179.25 179.55 2k87 h ASP 34 N 0.78 0.18 -0.71 0.00 3.58 -0.47 -0.09 116.42 119.70 2k87 h ASP 34 Ca 0.43 -0.41 0.05 0.00 0.42 0.00 0.00 57.03 57.52 2k87 h ASP 34 Cb 0.46 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 2k87 h ASP 34 CO -0.28 0.56 0.46 0.44 -2.88 0.00 0.00 179.24 177.54 2k87 h ASP 35 N -0.19 0.67 -0.06 2.28 3.32 -0.31 0.38 116.42 122.50 2k87 h ASP 35 Ca 0.02 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2k87 h ASP 35 Cb 0.49 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2k87 h ASP 35 CO 0.01 0.44 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.83 2k87 h LEU 36 N 0.77 0.18 -2.23 1.55 4.07 -1.18 -3.09 115.31 115.38 2k87 h LEU 36 Ca 0.30 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2k87 h LEU 36 Cb 0.19 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2k87 h LEU 36 CO -0.09 0.66 0.00 0.78 -1.08 0.00 0.00 178.44 178.71 2k87 h ASN 37 N -0.30 0.00 1.11 -0.43 2.35 -0.29 -0.51 115.58 117.50 2k87 h ASN 37 Ca 0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2k87 h ASN 37 Cb 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2k87 h ASN 37 CO 0.02 0.00 -0.19 1.56 -1.65 0.00 0.00 177.43 177.17 2k87 h GLN 38 N 0.00 0.00 0.05 0.81 1.08 -0.87 -2.54 115.11 113.63 2k87 h GLN 38 Ca 0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 2k87 h GLN 38 Cb 0.23 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2k87 h GLN 38 CO 0.00 0.19 -1.84 -1.33 -0.95 0.00 0.00 178.83 174.90 2k87 n MET 39 N -3.29 0.68 0.07 1.46 2.81 -0.22 -4.00 117.12 114.63 2k87 n MET 39 Ca 0.01 0.28 -0.05 0.00 -1.81 0.00 0.00 57.70 56.12 2k87 n MET 39 Cb 0.45 -1.75 0.13 0.00 -0.71 0.00 0.00 33.22 31.34 2k87 n MET 39 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2k87 h THR 40 N 0.03 1.35 -3.63 2.03 1.35 -1.59 -3.48 112.91 108.97 2k87 h THR 40 Ca -0.35 -1.81 -0.17 0.00 -0.55 0.00 0.00 66.41 63.53 2k87 h THR 40 Cb 2.03 1.86 0.08 0.00 -1.73 0.00 0.00 68.15 70.38 2k87 h THR 40 CO 0.08 0.54 -0.36 0.61 -0.25 0.00 0.00 175.52 176.14 2k87 n GLY 41 N 0.14 0.11 3.70 5.82 0.00 -1.07 -5.02 105.19 108.87 2k87 n GLY 41 Ca -0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.98 1.95 -3.89 1.61 7.35 -0.98 -5.04 117.46 115.47 2k87 n PHE 42 Ca -0.09 0.47 -0.13 0.00 -0.76 0.00 0.00 57.45 56.94 2k87 n PHE 42 Cb 0.56 -2.33 -0.14 0.00 0.35 0.00 0.00 39.48 37.92 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 -1.28 0.04 0.87 -2.13 2.01 -1.26 -5.02 115.64 108.87 2k87 s THR 43 Ca 0.67 -0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.55 2k87 s THR 43 Cb -0.46 -0.06 0.11 0.00 0.01 0.00 0.00 72.50 72.10 2k87 s THR 43 CO 0.53 0.02 1.10 -0.54 -0.69 0.00 0.00 174.62 175.04 2k87 s LYS 44 N 0.11 1.48 0.09 4.92 1.02 -1.26 -4.15 119.74 121.95 2k87 s LYS 44 Ca -0.01 0.70 -0.31 0.00 0.02 0.00 0.00 55.97 56.37 2k87 s LYS 44 Cb -0.02 -1.84 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 2k87 s LYS 44 CO -0.00 -2.05 1.31 -1.25 -0.92 0.00 0.00 175.35 172.43 2k87 s PRO 45 N -5.04 4.37 0.03 -1.68 0.04 -1.26 -5.09 135.00 126.37 2k87 s PRO 45 Ca 0.63 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 63.30 2k87 s PRO 45 Cb -0.17 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 2k87 s PRO 45 CO 0.56 -0.36 1.27 0.00 0.04 0.00 0.00 177.00 178.51 2k87 s ALA 46 N 1.12 3.48 0.25 8.56 0.00 -1.26 -4.91 121.76 129.01 2k87 s ALA 46 Ca 0.62 0.85 0.37 0.00 0.00 0.00 0.00 51.96 53.80 2k87 s ALA 46 Cb -0.33 -3.51 1.67 0.00 0.00 0.00 0.00 23.12 20.95 2k87 s ALA 46 CO 0.30 -0.63 2.09 0.77 0.00 0.00 0.00 175.76 178.28 2k87 h SER 47 N 7.16 0.00 -4.91 0.00 0.02 -1.78 -3.46 113.55 110.58 2k87 h SER 47 Ca -0.39 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2k87 h SER 47 Cb 1.20 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.61 2k87 h SER 47 CO 0.85 0.00 0.28 0.00 -1.14 0.00 0.00 176.83 176.83 2k87 s ARG 48 N -3.80 1.17 -0.20 3.45 1.70 -1.26 -5.02 118.95 114.99 2k87 s ARG 48 Ca -0.01 -0.43 0.01 0.00 -0.47 0.00 0.00 55.73 54.83 2k87 s ARG 48 Cb 0.10 0.54 0.03 0.00 -0.57 0.00 0.00 34.95 35.05 2k87 s ARG 48 CO 0.50 -0.51 -0.15 -1.21 -1.08 0.00 0.00 175.30 172.84 2k87 s GLU 49 N -3.59 2.54 -0.13 3.89 2.02 -1.26 -0.62 118.70 121.55 2k87 s GLU 49 Ca 0.02 -0.91 -0.17 0.00 0.02 0.00 0.00 54.97 53.93 2k87 s GLU 49 Cb -0.01 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2k87 s GLU 49 CO -0.12 -0.34 0.43 -0.51 0.02 0.00 0.00 175.26 174.75 2k87 s LEU 50 N 1.30 4.26 -0.22 1.80 2.01 -0.25 -4.93 118.68 122.65 2k87 s LEU 50 Ca 0.01 0.74 -0.10 0.00 0.01 0.00 0.00 54.13 54.78 2k87 s LEU 50 Cb -0.15 -2.62 -0.05 0.00 0.01 0.00 0.00 46.19 43.38 2k87 s LEU 50 CO -0.10 0.02 0.15 -0.94 1.01 0.00 0.00 176.35 176.49 2k87 s SER 51 N 0.60 6.17 0.71 2.29 1.04 -1.26 -0.43 113.70 122.82 2k87 s SER 51 Ca 0.24 0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.71 2k87 s SER 51 Cb -0.15 -2.10 0.03 0.00 0.10 0.00 0.00 66.02 63.90 2k87 s SER 51 CO 0.09 0.12 1.10 -0.69 0.98 0.00 0.00 173.24 174.85 2k87 s VAL 52 N 0.70 3.24 -0.03 5.02 1.01 0.18 -1.47 120.40 129.05 2k87 s VAL 52 Ca 0.08 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 2k87 s VAL 52 Cb -0.12 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2k87 s VAL 52 CO 0.01 -0.43 0.08 0.42 0.00 0.00 0.00 175.10 175.18 2k87 s THR 53 N -2.57 -0.02 -0.21 3.92 -4.23 -0.79 -4.63 115.64 107.12 2k87 s THR 53 Ca 0.65 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 61.11 2k87 s THR 53 Cb -0.19 -0.13 -0.05 0.00 1.34 0.00 0.00 72.50 73.47 2k87 s THR 53 CO 0.48 0.02 0.14 -0.36 -0.54 0.00 0.00 174.62 174.37 2k87 s PHE 54 N 0.37 3.39 0.66 3.99 0.08 -1.25 -0.17 117.98 125.05 2k87 s PHE 54 Ca -0.03 0.32 -0.18 0.00 0.12 0.00 0.00 56.93 57.17 2k87 s PHE 54 Cb -0.04 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 2k87 s PHE 54 CO -0.01 0.24 1.23 0.34 -0.10 0.00 0.00 175.22 176.92 2k87 n PHE 55 N 3.67 1.67 -2.16 0.36 -0.00 -1.04 -1.07 117.46 118.88 2k87 n PHE 55 Ca -0.16 0.42 -0.34 0.00 -0.00 0.00 0.00 57.45 57.37 2k87 n PHE 55 Cb 0.52 -2.23 -0.04 0.00 -0.00 0.00 0.00 39.48 37.73 2k87 n PHE 55 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2k87 s PRO 56 N -3.35 2.78 -0.22 -7.13 0.04 -1.26 -5.01 135.00 120.84 2k87 s PRO 56 Ca 0.81 -0.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.64 2k87 s PRO 56 Cb -0.38 -4.76 0.07 0.00 0.04 0.00 0.00 34.50 29.47 2k87 s PRO 56 CO 0.42 -2.87 0.55 0.34 0.04 0.00 0.00 177.00 175.49 2k87 s ASP 57 N 7.20 -0.71 0.00 6.66 -1.08 -0.23 -5.06 116.67 123.44 2k87 s ASP 57 Ca 0.62 1.20 0.08 0.00 -0.52 0.00 0.00 52.55 53.93 2k87 s ASP 57 Cb -0.08 1.09 0.13 0.00 -1.46 0.00 0.00 42.92 42.60 2k87 s ASP 57 CO 0.07 -0.21 1.00 0.00 0.52 0.00 0.00 175.17 176.55 2k87 n LEU 58 N 4.09 0.25 0.25 -1.34 -0.00 -1.26 -3.92 117.00 115.07 2k87 n LEU 58 Ca -0.21 -1.37 0.14 0.00 -0.00 0.00 0.00 56.01 54.57 2k87 n LEU 58 Cb 0.57 0.00 0.48 0.00 -0.00 0.00 0.00 43.42 44.47 2k87 n LEU 58 CO 0.04 0.48 0.89 0.78 -0.00 0.00 0.00 177.39 179.58 2k87 h ASN 59 N 0.31 0.00 -3.80 1.45 2.35 -1.95 -3.47 115.58 110.47 2k87 h ASN 59 Ca -0.11 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.21 2k87 h ASN 59 Cb 1.51 0.00 0.17 0.00 0.05 0.00 0.00 38.32 40.06 2k87 h ASN 59 CO 0.01 0.06 0.25 -0.83 -1.65 0.00 0.00 177.43 175.28 2k87 s GLY 60 N -4.22 1.64 0.30 2.83 0.00 -1.26 -4.98 107.32 101.63 2k87 s GLY 60 Ca 0.03 -0.94 0.15 0.00 0.00 0.00 0.00 44.72 43.96 2k87 s GLY 60 CO 0.60 -0.16 1.55 -1.80 0.00 0.00 0.00 173.10 173.29 2k87 h ASP 61 N -2.09 0.00 -4.47 1.64 3.58 -1.60 -3.45 116.42 110.03 2k87 h ASP 61 Ca -0.46 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.65 2k87 h ASP 61 Cb 1.28 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.14 2k87 h ASP 61 CO 0.41 0.52 -0.75 -0.69 -2.88 0.00 0.00 179.24 175.85 2k87 s VAL 62 N -3.21 0.92 0.16 2.25 1.01 -0.88 -4.62 120.40 116.03 2k87 s VAL 62 Ca 0.02 -1.45 0.08 0.00 0.00 0.00 0.00 61.98 60.63 2k87 s VAL 62 Cb 0.09 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2k87 s VAL 62 CO 0.73 -0.43 -0.18 -0.69 0.00 0.00 0.00 175.10 174.53 2k87 s VAL 63 N -1.92 1.80 0.15 2.92 1.01 -1.14 -1.88 120.40 121.35 2k87 s VAL 63 Ca 0.01 -1.90 0.09 0.00 0.00 0.00 0.00 61.98 60.18 2k87 s VAL 63 Cb -0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2k87 s VAL 63 CO 0.01 -0.31 -0.15 0.00 0.00 0.00 0.00 175.10 174.65 2k87 s ALA 64 N -2.02 2.80 0.20 5.51 0.00 0.76 -1.50 121.76 127.51 2k87 s ALA 64 Ca 0.15 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 50.77 2k87 s ALA 64 Cb -0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2k87 s ALA 64 CO 0.06 0.52 -0.19 0.42 0.00 0.00 0.00 175.76 176.58 2k87 s ILE 65 N -1.46 2.01 0.36 0.00 -1.09 0.30 -2.49 121.20 118.84 2k87 s ILE 65 Ca 0.22 -2.09 -0.26 0.00 -2.23 0.00 0.00 60.65 56.29 2k87 s ILE 65 Cb -0.09 -2.01 -0.09 0.00 -1.58 0.00 0.00 42.46 38.68 2k87 s ILE 65 CO 0.13 -0.36 1.07 1.51 -1.23 0.00 0.00 174.94 176.05 2k87 s ASP 66 N -2.96 6.90 0.17 3.58 1.47 -1.26 -2.10 116.67 122.46 2k87 s ASP 66 Ca 0.21 2.12 0.14 0.00 1.18 0.00 0.00 52.55 56.19 2k87 s ASP 66 Cb -0.05 -2.60 0.68 0.00 -0.34 0.00 0.00 42.92 40.62 2k87 s ASP 66 CO 0.09 -0.39 1.42 0.00 0.68 0.00 0.00 175.17 176.96 2k87 n TYR 67 N 0.32 0.41 0.14 2.11 4.19 -1.26 -1.64 117.16 121.43 2k87 n TYR 67 Ca 0.03 0.20 0.19 0.00 3.31 0.00 0.00 57.90 61.63 2k87 n TYR 67 Cb 0.48 -0.82 0.78 0.00 0.49 0.00 0.00 39.34 40.26 2k87 n TYR 67 CO 0.00 0.00 0.00 0.07 0.91 0.00 0.00 176.86 177.84 2k87 h ARG 68 N 0.00 0.00 -0.00 2.98 0.11 -1.98 -0.96 114.38 114.53 2k87 h ARG 68 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k87 h ARG 68 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2k87 h ARG 68 CO 0.00 0.00 -0.68 0.72 0.10 0.00 0.00 179.97 180.11 2k87 n HIS 69 N -3.70 0.00 -2.36 4.08 8.25 -0.65 -4.65 115.22 116.18 2k87 n HIS 69 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.15 2k87 n HIS 69 Cb 0.51 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.90 2.28 -0.55 4.41 5.04 -0.37 -4.79 117.35 120.48 2k87 s TYR 70 Ca 0.12 -0.36 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 2k87 s TYR 70 Cb 0.17 -4.44 0.50 0.00 0.35 0.00 0.00 41.96 38.54 2k87 s TYR 70 CO 0.74 -1.80 1.86 0.43 -1.34 0.00 0.00 175.55 175.44 2k87 n SER 71 N 10.89 6.14 0.00 4.32 7.64 -1.26 -4.94 113.62 136.41 2k87 n SER 71 Ca 0.38 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.51 2k87 n SER 71 Cb 0.49 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2k87 n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k87 n ALA 72 N -0.95 0.00 -0.23 -0.43 0.00 -1.26 -4.63 120.51 113.01 2k87 n ALA 72 Ca 0.58 0.00 0.20 0.00 0.00 0.00 0.00 53.44 54.21 2k87 n ALA 72 Cb 0.93 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.92 2k87 n ALA 72 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k87 h SER 73 N 0.00 0.36 -0.40 0.00 0.02 -1.94 -2.26 113.55 109.33 2k87 h SER 73 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k87 h SER 73 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2k87 h SER 73 CO 0.00 0.15 0.00 0.49 -1.14 0.00 0.00 176.83 176.33 2k87 n PHE 74 N -4.48 0.94 0.04 3.45 3.01 -1.26 -4.59 117.46 114.56 2k87 n PHE 74 Ca 0.19 -0.37 0.06 0.00 1.01 0.00 0.00 57.45 58.34 2k87 n PHE 74 Cb 0.71 -0.18 0.49 0.00 -0.01 0.00 0.00 39.48 40.49 2k87 n PHE 74 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2k87 h LYS 75 N 2.54 0.39 -0.44 -1.08 2.10 -1.79 -0.69 116.57 117.60 2k87 h LYS 75 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2k87 h LYS 75 Cb 1.01 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2k87 h LYS 75 CO 0.15 0.26 0.00 1.63 -2.00 0.00 0.00 179.45 179.49 2k87 n LYS 76 N -4.49 2.06 0.00 0.07 5.02 -1.26 -4.77 118.16 114.79 2k87 n LYS 76 Ca 0.03 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 2k87 n LYS 76 Cb 0.13 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.07 1.00 3.13 0.72 0.00 -0.27 -4.28 105.19 106.56 2k87 n GLY 77 Ca 0.14 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 2k87 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k87 n ALA 78 N 1.58 -1.29 -3.43 4.61 0.00 -1.26 -1.57 120.51 119.14 2k87 n ALA 78 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 53.44 52.21 2k87 n ALA 78 Cb 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 2k87 n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k87 s LYS 79 N -2.18 1.40 0.00 0.00 -2.85 -0.18 -3.74 119.74 112.19 2k87 s LYS 79 Ca 0.15 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 2k87 s LYS 79 Cb -0.04 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 2k87 s LYS 79 CO 0.11 -0.61 0.00 -0.11 0.10 0.00 0.00 175.35 174.84 2k87 n LEU 80 N -0.37 0.00 -0.07 2.77 0.00 0.39 -1.35 117.00 118.37 2k87 n LEU 80 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.87 2k87 n LEU 80 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.03 2k87 n LEU 80 CO 0.15 -0.04 0.11 -0.11 0.00 0.00 0.00 177.39 177.49 2k87 n LEU 81 N 0.00 -0.18 0.00 -1.96 0.00 -1.26 -2.88 117.00 110.72 2k87 n LEU 81 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 56.01 56.36 2k87 n LEU 81 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.36 2k87 n LEU 81 CO 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 177.39 177.24 2k87 n HIS 82 N -3.82 0.00 -4.37 1.96 1.44 -1.26 -5.13 115.22 104.04 2k87 n HIS 82 Ca 0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.47 2k87 n HIS 82 Cb 0.04 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.04 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 1.37 0.84 -1.40 1.02 -1.14 -5.14 119.74 115.29 2k87 s LYS 83 Ca 0.00 -1.43 -0.12 0.00 0.02 0.00 0.00 55.97 54.45 2k87 s LYS 83 Cb 0.00 -1.59 0.09 0.00 -0.52 0.00 0.00 37.83 35.82 2k87 s LYS 83 CO 0.00 0.34 1.10 -1.25 -0.92 0.00 0.00 175.35 174.62 2k87 s PRO 84 N -2.61 1.73 0.10 -1.68 0.04 -1.26 -0.46 135.00 130.86 2k87 s PRO 84 Ca 0.17 0.69 0.04 0.00 0.04 0.00 0.00 61.00 61.94 2k87 s PRO 84 Cb -0.07 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2k87 s PRO 84 CO 0.08 -1.88 -0.11 0.96 0.04 0.00 0.00 177.00 176.09 2k87 s ILE 85 N -3.08 1.02 0.18 0.56 -5.25 -1.25 -2.86 121.20 110.53 2k87 s ILE 85 Ca 0.62 -1.61 0.02 0.00 -0.99 0.00 0.00 60.65 58.68 2k87 s ILE 85 Cb -0.16 -1.35 -0.01 0.00 2.95 0.00 0.00 42.46 43.90 2k87 s ILE 85 CO 0.55 -0.50 0.06 1.33 -1.79 0.00 0.00 174.94 174.60 2k87 n VAL 86 N 0.63 0.00 -5.02 8.37 0.24 -0.56 -4.66 118.33 117.33 2k87 n VAL 86 Ca -0.16 -1.07 -0.32 0.00 -2.04 0.00 0.00 64.34 60.74 2k87 n VAL 86 Cb 0.57 0.38 -0.16 0.00 -1.47 0.00 0.00 33.84 33.16 2k87 n VAL 86 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2k87 s TRP 87 N -2.22 2.67 -0.17 6.34 0.23 -1.26 -0.54 118.94 123.99 2k87 s TRP 87 Ca 0.09 -0.90 0.00 0.00 -2.03 0.00 0.00 56.10 53.27 2k87 s TRP 87 Cb 0.00 -1.77 0.03 0.00 0.03 0.00 0.00 33.47 31.77 2k87 s TRP 87 CO 0.06 -0.34 -0.10 -3.38 0.96 0.00 0.00 176.95 174.15 2k87 s HIS 88 N 0.37 2.10 -0.40 -1.98 -3.43 -0.89 -4.91 115.29 106.15 2k87 s HIS 88 Ca -0.15 -1.29 -0.14 0.00 -0.80 0.00 0.00 55.06 52.68 2k87 s HIS 88 Cb -0.17 -1.52 0.02 0.00 -1.43 0.00 0.00 32.58 29.49 2k87 s HIS 88 CO 0.07 -0.67 0.27 0.42 -2.00 0.00 0.00 174.74 172.83 2k87 s ILE 89 N 1.51 5.01 -1.14 -5.38 1.01 -0.16 -4.54 121.20 117.50 2k87 s ILE 89 Ca 0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 2k87 s ILE 89 Cb -0.15 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.53 2k87 s ILE 89 CO -0.09 -0.29 0.75 0.59 0.00 0.00 0.00 174.94 175.90 2k87 n ASN 90 N 5.10 -5.36 -0.56 3.58 5.03 -1.26 -0.09 115.26 121.70 2k87 n ASN 90 Ca -0.11 -0.34 -0.07 0.00 0.87 0.00 0.00 54.58 54.92 2k87 n ASN 90 Cb 0.47 -4.07 -0.03 0.00 -1.02 0.00 0.00 39.78 35.13 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k87 n GLN 91 N -3.77 -1.50 -4.52 3.52 1.13 -1.26 -4.94 117.38 106.05 2k87 n GLN 91 Ca -0.03 0.71 -0.25 0.00 -1.94 0.00 0.00 57.00 55.48 2k87 n GLN 91 Cb 0.57 -4.97 -0.08 0.00 0.11 0.00 0.00 30.24 25.87 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k87 s ALA 92 N -1.77 2.91 0.01 -1.58 0.00 0.87 -4.61 121.76 117.59 2k87 s ALA 92 Ca 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2k87 s ALA 92 Cb 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2k87 s ALA 92 CO 0.00 -0.32 -0.07 -0.08 0.00 0.00 0.00 175.76 175.30 2k87 s THR 93 N -3.21 0.50 0.32 0.00 -1.32 -1.26 -0.99 115.64 109.68 2k87 s THR 93 Ca 0.24 -0.46 0.06 0.00 -1.21 0.00 0.00 61.69 60.32 2k87 s THR 93 Cb 0.03 -0.46 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 2k87 s THR 93 CO 0.14 0.01 0.24 0.42 -2.21 0.00 0.00 174.62 173.22 2k87 s THR 94 N -0.43 0.07 0.09 5.08 -4.23 -1.26 -4.97 115.64 109.99 2k87 s THR 94 Ca -0.00 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.81 2k87 s THR 94 Cb -0.04 -2.48 0.32 0.00 1.34 0.00 0.00 72.50 71.63 2k87 s THR 94 CO -0.00 0.00 1.94 0.11 -0.54 0.00 0.00 174.62 176.13 2k87 h LYS 95 N 2.17 0.00 0.00 3.99 1.57 -2.02 0.16 116.57 122.45 2k87 h LYS 95 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2k87 h LYS 95 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2k87 h LYS 95 CO 0.41 0.00 -0.14 1.15 -0.57 0.00 0.00 179.45 180.30 2k87 h THR 96 N 0.00 0.00 0.00 -0.16 2.02 -2.04 -3.37 112.91 109.36 2k87 h THR 96 Ca 0.00 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2k87 h THR 96 Cb 0.09 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2k87 h THR 96 CO 0.00 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.24 2k87 n THR 97 N -2.91 0.00 0.28 3.16 -2.24 -0.17 -4.67 114.28 107.73 2k87 n THR 97 Ca 0.04 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 2k87 n THR 97 Cb 0.52 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.00 -0.67 -0.51 4.78 3.04 -0.92 -2.19 116.94 120.46 2k87 h PHE 98 Ca 0.00 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.96 2k87 h PHE 98 Cb 0.04 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 2k87 h PHE 98 CO 0.00 -0.35 0.30 0.87 -2.02 0.00 0.00 178.31 177.11 2k87 h LYS 99 N -0.95 0.57 0.00 1.11 1.57 -1.83 0.07 116.57 117.12 2k87 h LYS 99 Ca -0.07 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2k87 h LYS 99 Cb 0.63 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2k87 h LYS 99 CO 0.12 0.38 -0.39 -1.00 -0.57 0.00 0.00 179.45 177.99 2k87 h PRO 100 N 0.59 0.00 -0.24 3.15 0.13 -1.83 -3.19 132.00 130.61 2k87 h PRO 100 Ca 0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 2k87 h PRO 100 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 2k87 h PRO 100 CO -0.10 0.39 -0.12 -0.91 -0.23 0.00 0.00 178.00 177.02 2k87 h ASN 101 N 0.00 0.37 -0.71 1.44 2.35 -0.33 -2.62 115.58 116.08 2k87 h ASN 101 Ca -0.00 -0.09 0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2k87 h ASN 101 Cb 0.70 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 2k87 h ASN 101 CO 0.05 0.53 0.47 0.71 -1.65 0.00 0.00 177.43 177.54 2k87 h THR 102 N 0.36 1.00 0.00 2.81 1.35 -1.35 -0.29 112.91 116.80 2k87 h THR 102 Ca 0.07 -0.24 -0.03 0.00 -0.55 0.00 0.00 66.41 65.66 2k87 h THR 102 Cb 0.44 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 67.09 2k87 h THR 102 CO 0.03 0.13 -0.15 -0.50 -0.25 0.00 0.00 175.52 174.77 2k87 h TRP 103 N 0.71 0.00 -0.12 4.73 4.06 -1.63 -0.65 115.95 123.04 2k87 h TRP 103 Ca 0.31 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.12 2k87 h TRP 103 Cb 0.30 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.47 2k87 h TRP 103 CO -0.00 0.15 -0.48 0.00 -3.56 0.00 0.00 178.44 174.55 2k87 h LEU 105 N 0.16 0.64 -1.66 0.00 3.38 -0.40 0.10 115.31 117.52 2k87 h LEU 105 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k87 h LEU 105 Cb 1.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2k87 h LEU 105 CO 0.10 0.38 0.00 0.03 0.09 0.00 0.00 178.44 179.04 2k87 h ARG 106 N 0.76 0.00 0.03 1.13 3.08 -1.21 -0.32 114.38 117.86 2k87 h ARG 106 Ca 0.37 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.15 2k87 h ARG 106 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2k87 h ARG 106 CO -0.23 0.00 -1.39 0.00 -1.07 0.00 0.00 179.97 177.28 2k87 h LEU 108 N 0.02 0.00-10.20 0.00 3.38 -0.11 -3.45 115.31 104.95 2k87 h LEU 108 Ca -0.17 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.32 2k87 h LEU 108 Cb 1.92 0.00 0.21 0.00 0.09 0.00 0.00 40.66 42.88 2k87 h LEU 108 CO 0.12 0.00 0.11 0.26 0.09 0.00 0.00 178.44 179.02 2k87 s TRP 109 N -3.43 1.44 0.06 1.13 0.52 -0.47 -4.92 118.94 113.27 2k87 s TRP 109 Ca 0.04 1.50 0.07 0.00 0.02 0.00 0.00 56.10 57.73 2k87 s TRP 109 Cb 0.08 -3.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 2k87 s TRP 109 CO 0.58 -3.41 -0.20 0.45 0.02 0.00 0.00 176.95 174.39 2k87 s SER 110 N -2.55 2.40 -0.96 2.95 0.15 -0.28 -4.76 113.70 110.65 2k87 s SER 110 Ca 0.68 -0.56 -0.24 0.00 0.70 0.00 0.00 55.95 56.54 2k87 s SER 110 Cb -0.24 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2k87 s SER 110 CO 0.62 0.12 1.53 0.42 1.20 0.00 0.00 173.24 177.13 2k87 s THR 111 N -0.89 3.81 -0.32 6.45 -4.23 -1.26 -0.59 115.64 118.61 2k87 s THR 111 Ca 0.07 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 2k87 s THR 111 Cb -0.09 -4.84 0.10 0.00 1.34 0.00 0.00 72.50 69.01 2k87 s THR 111 CO 0.02 -1.74 0.06 -0.54 -0.54 0.00 0.00 174.62 171.88 2k87 s LYS 112 N 5.45 1.20 -0.86 3.99 -0.14 -1.26 -4.97 119.74 123.15 2k87 s LYS 112 Ca 0.50 -1.49 -0.23 0.00 -1.36 0.00 0.00 55.97 53.39 2k87 s LYS 112 Cb -0.02 -2.68 0.07 0.00 -1.68 0.00 0.00 37.83 33.52 2k87 s LYS 112 CO -0.05 -0.93 1.24 -1.25 -0.76 0.00 0.00 175.35 173.60 2k87 s PRO 113 N 1.22 3.40 -0.43 -1.68 0.04 -1.26 -4.69 135.00 131.59 2k87 s PRO 113 Ca 0.09 -0.99 0.05 0.00 0.04 0.00 0.00 61.00 60.19 2k87 s PRO 113 Cb -0.18 -4.75 0.17 0.00 0.04 0.00 0.00 34.50 29.78 2k87 s PRO 113 CO -0.15 -2.02 0.46 0.54 0.04 0.00 0.00 177.00 175.88 2k87 s VAL 114 N 4.48 -0.22 -0.22 -0.36 0.11 -1.26 -5.03 120.40 117.89 2k87 s VAL 114 Ca 0.36 -1.75 -0.06 0.00 -2.93 0.00 0.00 61.98 57.60 2k87 s VAL 114 Cb -0.06 -0.74 -0.18 0.00 -1.53 0.00 0.00 36.38 33.87 2k87 s VAL 114 CO 0.00 -0.71 3.38 -0.67 -3.33 0.00 0.00 175.10 173.77 2k87 n ASP 115 N 3.22 5.77 0.00 3.54 2.03 -1.26 -5.18 116.55 124.68 2k87 n ASP 115 Ca 0.22 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.87 2k87 n ASP 115 Cb 0.49 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69