#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 -0.51 -0.23 2.03 6.14 -1.26 -5.02 117.35 118.50 2k87 s TYR 2 Ca 0.00 1.17 0.10 0.00 0.64 0.00 0.00 57.07 58.98 2k87 s TYR 2 Cb 0.00 0.19 0.43 0.00 0.42 0.00 0.00 41.96 43.01 2k87 s TYR 2 CO 0.00 -0.31 1.21 2.41 0.64 0.00 0.00 175.55 179.50 2k87 n THR 3 N 2.44 2.29 -2.22 4.34 -1.04 -1.26 -5.00 114.28 113.83 2k87 n THR 3 Ca -0.15 -3.53 -0.43 0.00 -2.04 0.00 0.00 64.05 57.91 2k87 n THR 3 Cb 0.57 -0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 68.55 2k87 n THR 3 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k87 s GLU 4 N -3.33 3.68 0.54 -2.82 2.56 -1.26 -4.81 118.70 113.27 2k87 s GLU 4 Ca 0.42 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.74 2k87 s GLU 4 Cb 0.38 -4.03 0.00 0.00 2.00 0.00 0.00 34.13 32.48 2k87 s GLU 4 CO -0.04 -1.43 0.00 0.00 -0.56 0.00 0.00 175.26 173.23 2k87 n GLN 5 N 7.84 -3.20 -1.82 4.30 10.64 -1.26 -4.88 117.38 129.00 2k87 n GLN 5 Ca 0.18 2.50 -0.32 0.00 -1.83 0.00 0.00 57.00 57.53 2k87 n GLN 5 Cb 0.46 -3.78 0.03 0.00 -0.86 0.00 0.00 30.24 26.09 2k87 n GLN 5 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2k87 s PRO 6 N -3.71 3.06 -1.09 2.61 0.04 -1.26 -4.92 135.00 129.73 2k87 s PRO 6 Ca 0.00 1.16 -0.22 0.00 0.04 0.00 0.00 61.00 61.98 2k87 s PRO 6 Cb 0.00 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2k87 s PRO 6 CO 0.00 -1.01 1.67 0.42 0.04 0.00 0.00 177.00 178.12 2k87 s ILE 7 N -2.64 3.84 0.00 0.56 1.01 -1.26 -4.00 121.20 118.72 2k87 s ILE 7 Ca 0.62 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2k87 s ILE 7 Cb -0.16 -4.85 0.00 0.00 0.01 0.00 0.00 42.46 37.46 2k87 s ILE 7 CO 0.44 -1.67 0.00 -0.67 0.00 0.00 0.00 174.94 173.03 2k87 n ASP 8 N 10.31 0.00 -4.74 3.58 2.03 -1.26 -4.70 116.55 121.78 2k87 n ASP 8 Ca 0.40 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.30 2k87 n ASP 8 Cb 0.48 -0.43 -0.04 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.61 4.50 -0.00 -2.67 2.96 -1.26 -4.23 118.68 116.37 2k87 s LEU 9 Ca 0.00 1.97 0.01 0.00 -0.22 0.00 0.00 54.13 55.89 2k87 s LEU 9 Cb 0.00 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 2k87 s LEU 9 CO 0.00 -0.14 -0.03 0.68 -1.32 0.00 0.00 176.35 175.54 2k87 s VAL 10 N -0.21 0.21 0.68 1.68 -7.23 -0.61 -4.99 120.40 109.93 2k87 s VAL 10 Ca 0.48 -0.15 -0.14 0.00 -1.81 0.00 0.00 61.98 60.36 2k87 s VAL 10 Cb -0.27 -0.19 0.01 0.00 0.56 0.00 0.00 36.38 36.49 2k87 s VAL 10 CO 0.33 0.04 1.11 -2.16 -0.31 0.00 0.00 175.10 174.11 2k87 s PRO 11 N -0.12 2.70 0.00 4.82 0.04 -1.26 -0.75 135.00 140.42 2k87 s PRO 11 Ca 0.00 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2k87 s PRO 11 Cb -0.01 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2k87 s PRO 11 CO -0.00 -1.33 0.00 -2.37 0.04 0.00 0.00 177.00 173.34 2k87 n THR 12 N -2.56 0.00 -3.71 1.26 5.66 -0.75 -4.75 114.28 109.42 2k87 n THR 12 Ca 0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.00 2k87 n THR 12 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 2k87 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k87 s GLN 13 N -1.29 1.05 0.50 1.09 -2.07 -1.26 -3.47 119.66 114.20 2k87 s GLN 13 Ca 0.00 -0.81 -0.23 0.00 -1.82 0.00 0.00 55.36 52.50 2k87 s GLN 13 Cb 0.00 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 2k87 s GLN 13 CO 0.00 -0.40 1.30 -1.25 -1.32 0.00 0.00 175.29 173.62 2k87 s PRO 14 N -3.83 3.47 0.65 9.60 0.04 -1.26 -4.94 135.00 138.72 2k87 s PRO 14 Ca 0.05 2.10 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 2k87 s PRO 14 Cb 0.02 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 2k87 s PRO 14 CO -0.10 -0.89 1.11 -0.48 0.04 0.00 0.00 177.00 176.68 2k87 s LEU 15 N -3.18 3.40 0.83 -3.56 0.05 -1.26 -5.00 118.68 109.96 2k87 s LEU 15 Ca 0.67 2.00 -0.11 0.00 0.05 0.00 0.00 54.13 56.73 2k87 s LEU 15 Cb -0.37 -4.55 0.09 0.00 -2.05 0.00 0.00 46.19 39.31 2k87 s LEU 15 CO 0.45 -1.61 1.09 -2.16 -0.55 0.00 0.00 176.35 173.57 2k87 s PRO 16 N -4.07 1.79 0.00 1.48 0.04 -1.26 -3.84 135.00 129.14 2k87 s PRO 16 Ca 0.67 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2k87 s PRO 16 Cb -0.21 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2k87 s PRO 16 CO 0.41 -1.85 0.00 0.27 0.04 0.00 0.00 177.00 175.87 2k87 n ASN 17 N -3.60 0.00 -4.49 6.66 0.23 -1.26 -4.95 115.26 107.84 2k87 n ASN 17 Ca 0.07 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.76 2k87 n ASN 17 Cb 0.56 -0.49 0.07 0.00 -2.08 0.00 0.00 39.78 37.83 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k87 n ALA 18 N 0.98 -1.18 -3.48 -2.53 0.00 -1.25 -4.75 120.51 108.31 2k87 n ALA 18 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 2k87 n ALA 18 Cb 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 17.48 2k87 n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2k87 s SER 19 N -1.43 -0.58 0.51 0.00 1.04 -1.20 -4.90 113.70 107.15 2k87 s SER 19 Ca 0.68 0.73 -0.22 0.00 0.48 0.00 0.00 55.95 57.61 2k87 s SER 19 Cb -0.37 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 2k87 s SER 19 CO 0.56 -0.50 1.31 0.12 0.98 0.00 0.00 173.24 175.71 2k87 s PHE 20 N -0.88 2.46 0.12 5.02 5.36 -1.26 -0.85 117.98 127.94 2k87 s PHE 20 Ca -0.09 1.41 -0.06 0.00 -0.96 0.00 0.00 56.93 57.23 2k87 s PHE 20 Cb -0.02 -3.70 -0.02 0.00 -0.34 0.00 0.00 43.02 38.94 2k87 s PHE 20 CO 0.07 -2.53 0.15 0.34 -1.46 0.00 0.00 175.22 171.79 2k87 s ASP 21 N -1.01 0.20 0.00 6.13 2.15 -1.26 -4.83 116.67 118.05 2k87 s ASP 21 Ca 0.68 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.73 2k87 s ASP 21 Cb -0.38 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.58 2k87 s ASP 21 CO 0.45 -0.76 0.24 0.59 -0.17 0.00 0.00 175.17 175.51 2k87 n ASN 22 N -0.09 0.17 -4.68 -0.34 4.13 -1.26 -4.80 115.26 108.39 2k87 n ASN 22 Ca -0.10 -0.65 -0.39 0.00 1.68 0.00 0.00 54.58 55.13 2k87 n ASN 22 Cb 0.63 -0.09 0.04 0.00 -1.54 0.00 0.00 39.78 38.82 2k87 n ASN 22 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2k87 n PHE 23 N -0.05 1.57 -4.01 3.10 1.16 -1.26 -0.65 117.46 117.32 2k87 n PHE 23 Ca 0.00 0.45 -0.22 0.00 -1.87 0.00 0.00 57.45 55.81 2k87 n PHE 23 Cb 0.04 -2.26 -0.05 0.00 -1.61 0.00 0.00 39.48 35.60 2k87 n PHE 23 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2k87 s LYS 24 N -2.74 2.52 0.18 3.97 2.20 0.25 -4.85 119.74 121.26 2k87 s LYS 24 Ca 0.73 -1.43 0.09 0.00 -0.36 0.00 0.00 55.97 54.99 2k87 s LYS 24 Cb -0.44 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2k87 s LYS 24 CO 0.49 0.13 -0.18 -0.48 -0.36 0.00 0.00 175.35 174.95 2k87 s LEU 25 N -3.89 2.46 -0.02 5.43 0.05 -1.26 -1.13 118.68 120.31 2k87 s LEU 25 Ca 0.38 -0.89 -0.06 0.00 0.05 0.00 0.00 54.13 53.61 2k87 s LEU 25 Cb -0.04 -0.84 0.01 0.00 -2.05 0.00 0.00 46.19 43.27 2k87 s LEU 25 CO 0.24 -0.04 0.13 0.42 -0.55 0.00 0.00 176.35 176.55 2k87 s THR 26 N -2.17 0.05 -0.03 5.48 -4.23 -0.01 -4.81 115.64 109.92 2k87 s THR 26 Ca 0.17 -0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.01 2k87 s THR 26 Cb -0.05 -0.32 0.11 0.00 1.34 0.00 0.00 72.50 73.58 2k87 s THR 26 CO 0.07 -0.21 0.97 0.00 -0.54 0.00 0.00 174.62 174.91 2k87 h SER 28 N 2.00 0.23 -3.21 0.00 0.02 -2.02 -3.34 113.55 107.23 2k87 h SER 28 Ca -0.20 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.21 2k87 h SER 28 Cb 1.22 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 2k87 h SER 28 CO 0.29 0.17 1.05 0.21 -1.14 0.00 0.00 176.83 177.41 2k87 s ASN 29 N -5.41 6.43 0.13 3.07 3.84 -1.26 -4.91 114.94 116.82 2k87 s ASN 29 Ca -0.13 0.98 -0.23 0.00 0.21 0.00 0.00 52.86 53.69 2k87 s ASN 29 Cb 0.12 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.25 2k87 s ASN 29 CO 0.72 -1.33 1.66 0.71 -2.79 0.00 0.00 177.10 176.07 2k87 h THR 30 N 6.31 0.57 -0.83 -5.21 1.35 -1.94 -2.93 112.91 110.24 2k87 h THR 30 Ca -0.28 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2k87 h THR 30 Cb 1.11 0.57 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 2k87 h THR 30 CO 1.07 0.00 0.50 0.50 -0.25 0.00 0.00 175.52 177.34 2k87 h LYS 31 N -0.23 1.12 0.52 4.72 1.63 -1.90 0.26 116.57 122.69 2k87 h LYS 31 Ca 0.08 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2k87 h LYS 31 Cb 0.35 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 2k87 h LYS 31 CO -0.22 0.79 -0.45 0.35 -3.45 0.00 0.00 179.45 176.46 2k87 h PHE 32 N 1.14 -1.22 -0.53 1.91 3.57 -1.68 0.13 116.94 120.26 2k87 h PHE 32 Ca 0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2k87 h PHE 32 Cb -0.05 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2k87 h PHE 32 CO 0.00 -0.63 0.29 0.00 -2.23 0.00 0.00 178.31 175.74 2k87 h ALA 33 N -0.72 1.50 -0.07 2.41 0.00 -1.49 -2.74 119.26 118.14 2k87 h ALA 33 Ca -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2k87 h ALA 33 Cb 0.82 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k87 h ALA 33 CO -0.02 0.41 -0.19 0.22 0.00 0.00 0.00 179.25 179.67 2k87 h ASP 34 N 0.74 0.30 -0.54 0.00 3.58 -0.49 -0.73 116.42 119.29 2k87 h ASP 34 Ca 0.19 -0.59 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 2k87 h ASP 34 Cb 0.03 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2k87 h ASP 34 CO -0.03 0.84 0.31 -0.78 -2.88 0.00 0.00 179.24 176.70 2k87 h ASP 35 N -0.23 0.65 -0.08 2.28 3.58 -0.77 -1.02 116.42 120.83 2k87 h ASP 35 Ca -0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2k87 h ASP 35 Cb 0.80 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2k87 h ASP 35 CO 0.04 0.53 0.03 -0.07 -2.88 0.00 0.00 179.24 176.89 2k87 h LEU 36 N 0.72 0.05 -1.86 2.28 3.38 -1.47 -0.34 115.31 118.07 2k87 h LEU 36 Ca 0.19 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.19 2k87 h LEU 36 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2k87 h LEU 36 CO -0.03 0.04 0.16 0.78 0.09 0.00 0.00 178.44 179.47 2k87 h ASN 37 N 0.08 0.16 0.29 -0.43 2.35 -0.85 -1.75 115.58 115.43 2k87 h ASN 37 Ca 0.03 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.60 2k87 h ASN 37 Cb 0.01 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2k87 h ASN 37 CO -0.02 0.11 -0.73 1.56 -1.65 0.00 0.00 177.43 176.70 2k87 h GLN 38 N 0.18 0.37 0.00 0.81 1.08 -0.17 -1.02 115.11 116.36 2k87 h GLN 38 Ca 0.10 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2k87 h GLN 38 Cb 0.16 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2k87 h GLN 38 CO -0.02 0.95 0.00 0.52 -0.95 0.00 0.00 178.83 179.33 2k87 h MET 39 N 0.25 0.00 0.00 1.46 2.86 -0.16 -2.90 114.93 116.44 2k87 h MET 39 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2k87 h MET 39 Cb 1.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 2k87 h MET 39 CO 0.12 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 175.72 2k87 n THR 40 N -2.34 0.40 -2.92 2.22 5.66 -1.19 -5.04 114.28 111.07 2k87 n THR 40 Ca 0.01 -0.61 -0.14 0.00 -3.05 0.00 0.00 64.05 60.27 2k87 n THR 40 Cb 0.21 0.89 0.03 0.00 -1.55 0.00 0.00 70.33 69.91 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 -0.20 0.00 3.68 1.09 0.00 -0.76 -4.98 105.19 104.02 2k87 n GLY 41 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.01 2.01 -4.01 1.61 7.35 -0.46 -5.04 117.46 114.91 2k87 n PHE 42 Ca -0.03 0.54 -0.08 0.00 -0.76 0.00 0.00 57.45 57.12 2k87 n PHE 42 Cb 0.56 -2.36 -0.10 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 -1.16 0.16 0.41 -2.13 2.01 -1.26 -4.92 115.64 108.75 2k87 s THR 43 Ca 0.59 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 2k87 s THR 43 Cb -0.55 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 2k87 s THR 43 CO 0.60 -0.73 0.63 -0.54 -0.69 0.00 0.00 174.62 173.89 2k87 s LYS 44 N -2.76 3.34 0.09 4.92 1.02 -1.26 -4.10 119.74 120.99 2k87 s LYS 44 Ca -0.04 -0.30 -0.31 0.00 0.02 0.00 0.00 55.97 55.34 2k87 s LYS 44 Cb -0.00 -2.58 -0.07 0.00 -0.52 0.00 0.00 37.83 34.66 2k87 s LYS 44 CO -0.06 -0.06 1.30 -2.14 -0.92 0.00 0.00 175.35 173.47 2k87 s PRO 45 N -4.47 4.38 0.15 -1.68 0.02 -1.26 -5.11 135.00 127.02 2k87 s PRO 45 Ca 0.44 1.93 -0.31 0.00 0.02 0.00 0.00 61.00 63.08 2k87 s PRO 45 Cb -0.10 -3.30 -0.09 0.00 0.02 0.00 0.00 34.50 31.04 2k87 s PRO 45 CO 0.38 -0.35 1.44 0.00 -0.33 0.00 0.00 177.00 178.14 2k87 s ALA 46 N 1.08 3.64 -0.98 -1.55 0.00 -1.26 -4.90 121.76 117.79 2k87 s ALA 46 Ca 0.62 1.21 0.23 0.00 0.00 0.00 0.00 51.96 54.02 2k87 s ALA 46 Cb -0.33 -3.56 0.96 0.00 0.00 0.00 0.00 23.12 20.18 2k87 s ALA 46 CO 0.30 -0.67 1.72 0.43 0.00 0.00 0.00 175.76 177.54 2k87 n SER 47 N 3.66 0.04 -3.58 0.00 7.64 0.18 -4.83 113.62 116.72 2k87 n SER 47 Ca 0.11 0.51 -0.05 0.00 1.01 0.00 0.00 58.87 60.45 2k87 n SER 47 Cb 0.41 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 2k87 n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k87 s ARG 48 N -3.01 0.56 -0.40 1.43 1.70 -1.26 -4.90 118.95 113.08 2k87 s ARG 48 Ca 0.11 -0.24 0.01 0.00 -0.47 0.00 0.00 55.73 55.14 2k87 s ARG 48 Cb 0.15 0.24 0.13 0.00 -0.57 0.00 0.00 34.95 34.90 2k87 s ARG 48 CO 0.41 -0.25 0.21 -1.21 -1.08 0.00 0.00 175.30 173.39 2k87 s GLU 49 N -2.72 1.06 -0.02 3.89 2.02 -1.26 -0.59 118.70 121.08 2k87 s GLU 49 Ca 0.09 -1.74 -0.30 0.00 0.02 0.00 0.00 54.97 53.04 2k87 s GLU 49 Cb -0.00 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 2k87 s GLU 49 CO -0.05 -1.15 1.07 -0.51 0.02 0.00 0.00 175.26 174.64 2k87 s LEU 50 N 0.67 4.32 0.10 1.80 2.01 -0.29 -4.79 118.68 122.51 2k87 s LEU 50 Ca 0.17 1.73 -0.08 0.00 0.01 0.00 0.00 54.13 55.95 2k87 s LEU 50 Cb -0.23 -3.57 -0.06 0.00 0.01 0.00 0.00 46.19 42.34 2k87 s LEU 50 CO -0.03 -0.41 0.40 -0.55 1.01 0.00 0.00 176.35 176.77 2k87 s SER 51 N 1.13 6.60 0.03 2.29 0.15 -1.26 -0.83 113.70 121.81 2k87 s SER 51 Ca 0.53 0.74 0.04 0.00 0.70 0.00 0.00 55.95 57.96 2k87 s SER 51 Cb -0.23 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2k87 s SER 51 CO 0.25 0.13 -0.04 -0.69 1.20 0.00 0.00 173.24 174.08 2k87 s VAL 52 N -1.49 3.80 -0.14 4.45 1.01 -0.62 -0.84 120.40 126.57 2k87 s VAL 52 Ca 0.36 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2k87 s VAL 52 Cb -0.13 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2k87 s VAL 52 CO 0.20 0.30 -0.22 0.42 0.00 0.00 0.00 175.10 175.80 2k87 s THR 53 N -1.10 2.03 0.06 3.92 -4.23 -0.26 -4.83 115.64 111.23 2k87 s THR 53 Ca 0.20 -0.96 -0.23 0.00 -1.18 0.00 0.00 61.69 59.52 2k87 s THR 53 Cb -0.11 -1.80 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 2k87 s THR 53 CO 0.11 0.54 0.68 -0.36 -0.54 0.00 0.00 174.62 175.05 2k87 s PHE 54 N 0.84 3.76 0.70 3.99 0.08 -1.26 -0.42 117.98 125.68 2k87 s PHE 54 Ca -0.07 1.38 -0.16 0.00 0.12 0.00 0.00 56.93 58.20 2k87 s PHE 54 Cb -0.15 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.63 2k87 s PHE 54 CO -0.02 0.40 1.24 0.12 -0.10 0.00 0.00 175.22 176.86 2k87 s PHE 55 N -0.50 2.04 -0.82 0.36 5.36 -1.11 -1.42 117.98 121.89 2k87 s PHE 55 Ca 0.34 1.56 -0.25 0.00 -0.96 0.00 0.00 56.93 57.61 2k87 s PHE 55 Cb -0.20 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 2k87 s PHE 55 CO 0.21 -2.76 1.66 -1.25 -1.46 0.00 0.00 175.22 171.62 2k87 s PRO 56 N -3.68 2.97 -0.27 10.12 0.04 -1.26 -5.02 135.00 137.90 2k87 s PRO 56 Ca 0.78 -0.26 -0.24 0.00 0.04 0.00 0.00 61.00 61.33 2k87 s PRO 56 Cb -0.33 -4.77 0.07 0.00 0.04 0.00 0.00 34.50 29.52 2k87 s PRO 56 CO 0.43 -2.66 0.74 0.34 0.04 0.00 0.00 177.00 175.89 2k87 s ASP 57 N 6.35 -0.76 0.00 6.66 -1.08 -0.51 -5.08 116.67 122.25 2k87 s ASP 57 Ca 0.56 1.42 0.20 0.00 -0.52 0.00 0.00 52.55 54.21 2k87 s ASP 57 Cb -0.07 1.42 0.34 0.00 -1.46 0.00 0.00 42.92 43.15 2k87 s ASP 57 CO 0.06 -0.24 1.13 0.00 0.52 0.00 0.00 175.17 176.63 2k87 n LEU 58 N 2.89 0.66 -0.62 -1.34 -0.00 -1.26 -4.10 117.00 113.23 2k87 n LEU 58 Ca -0.15 -1.89 0.07 0.00 -0.00 0.00 0.00 56.01 54.04 2k87 n LEU 58 Cb 0.56 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.07 2k87 n LEU 58 CO 0.02 0.60 0.52 0.59 -0.00 0.00 0.00 177.39 179.12 2k87 n ASN 59 N 0.39 2.42 -3.10 1.45 5.03 -1.26 -4.91 115.26 115.27 2k87 n ASN 59 Ca 0.01 -1.69 -0.17 0.00 0.87 0.00 0.00 54.58 53.61 2k87 n ASN 59 Cb 1.05 -0.08 0.15 0.00 -1.02 0.00 0.00 39.78 39.88 2k87 n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k87 n GLY 60 N 0.78 -3.01 0.21 7.41 0.00 -1.26 -4.94 105.19 104.37 2k87 n GLY 60 Ca 0.10 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2k87 n GLY 60 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k87 h ASP 61 N -2.26 0.65 -4.10 1.61 3.32 -1.34 -3.46 116.42 110.84 2k87 h ASP 61 Ca -0.23 -0.25 -0.60 0.00 0.02 0.00 0.00 57.03 55.98 2k87 h ASP 61 Cb 0.72 -0.17 -0.22 0.00 0.22 0.00 0.00 39.33 39.87 2k87 h ASP 61 CO 0.14 0.73 -0.84 -0.69 -1.72 0.00 0.00 179.24 176.86 2k87 s VAL 62 N -5.24 1.89 0.35 -1.35 1.01 -0.76 -4.73 120.40 111.57 2k87 s VAL 62 Ca -0.13 -1.60 0.08 0.00 0.00 0.00 0.00 61.98 60.33 2k87 s VAL 62 Cb 0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2k87 s VAL 62 CO 0.78 -0.00 0.24 0.54 0.00 0.00 0.00 175.10 176.66 2k87 s VAL 63 N -1.12 3.14 0.08 2.92 0.11 0.00 -1.10 120.40 124.43 2k87 s VAL 63 Ca 0.09 -1.51 0.04 0.00 -2.93 0.00 0.00 61.98 57.67 2k87 s VAL 63 Cb -0.10 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.65 2k87 s VAL 63 CO 0.05 -0.14 -0.10 0.00 -3.33 0.00 0.00 175.10 171.57 2k87 s ALA 64 N -2.39 0.99 0.11 1.54 0.00 0.44 -1.48 121.76 120.97 2k87 s ALA 64 Ca 0.41 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2k87 s ALA 64 Cb -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2k87 s ALA 64 CO 0.25 0.01 -0.14 0.42 0.00 0.00 0.00 175.76 176.30 2k87 s ILE 65 N -1.92 1.31 0.22 0.00 -1.09 0.39 -2.74 121.20 117.37 2k87 s ILE 65 Ca -0.00 -1.65 -0.31 0.00 -2.23 0.00 0.00 60.65 56.46 2k87 s ILE 65 Cb -0.06 -1.46 -0.11 0.00 -1.58 0.00 0.00 42.46 39.24 2k87 s ILE 65 CO 0.01 -0.37 1.66 -0.62 -1.23 0.00 0.00 174.94 174.38 2k87 s ASP 66 N -2.32 6.43 0.64 3.58 -1.08 -1.26 -2.59 116.67 120.06 2k87 s ASP 66 Ca 0.07 2.83 0.16 0.00 -0.52 0.00 0.00 52.55 55.09 2k87 s ASP 66 Cb -0.06 -2.61 0.71 0.00 -1.46 0.00 0.00 42.92 39.51 2k87 s ASP 66 CO 0.03 -0.93 1.34 0.22 0.52 0.00 0.00 175.17 176.36 2k87 h TYR 67 N 6.36 0.00 -0.78 -5.34 5.03 -1.90 -2.19 116.97 118.15 2k87 h TYR 67 Ca -0.44 0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.10 2k87 h TYR 67 Cb 1.21 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.45 2k87 h TYR 67 CO 0.63 0.00 0.64 0.07 -1.32 0.00 0.00 178.16 178.18 2k87 h ARG 68 N 0.00 0.00 -0.01 1.82 0.11 -1.91 -0.39 114.38 113.99 2k87 h ARG 68 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 2k87 h ARG 68 Cb 1.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.06 2k87 h ARG 68 CO -0.00 0.00 -0.26 0.72 0.10 0.00 0.00 179.97 180.53 2k87 n HIS 69 N -4.01 0.00 -2.35 4.08 8.25 -0.82 -4.81 115.22 115.55 2k87 n HIS 69 Ca 0.16 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.26 2k87 n HIS 69 Cb 0.92 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.95 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 -2.35 2.28 0.38 4.41 5.04 -0.16 -4.95 117.35 122.00 2k87 s TYR 70 Ca 0.25 -0.35 0.07 0.00 -2.44 0.00 0.00 57.07 54.59 2k87 s TYR 70 Cb 0.19 -4.43 -0.00 0.00 0.35 0.00 0.00 41.96 38.07 2k87 s TYR 70 CO 0.48 -1.78 0.52 0.45 -1.34 0.00 0.00 175.55 173.88 2k87 s SER 71 N 5.99 5.83 0.26 4.32 0.15 -1.26 -5.02 113.70 123.97 2k87 s SER 71 Ca 0.57 -0.26 0.21 0.00 0.70 0.00 0.00 55.95 57.17 2k87 s SER 71 Cb -0.02 -1.01 0.99 0.00 -1.71 0.00 0.00 66.02 64.28 2k87 s SER 71 CO -0.02 -0.58 1.63 0.00 1.20 0.00 0.00 173.24 175.46 2k87 n ALA 72 N -1.75 1.31 -0.18 5.45 0.00 -1.26 -1.11 120.51 122.96 2k87 n ALA 72 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 2k87 n ALA 72 Cb 0.58 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.90 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 0.86 -0.14 0.00 0.02 -1.97 -3.10 113.55 109.21 2k87 h SER 73 Ca 0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2k87 h SER 73 Cb 0.15 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2k87 h SER 73 CO 0.00 0.76 0.01 0.49 -1.14 0.00 0.00 176.83 176.94 2k87 n PHE 74 N -4.32 0.51 -0.12 3.45 3.72 -0.27 -4.48 117.46 115.95 2k87 n PHE 74 Ca 0.06 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2k87 n PHE 74 Cb 0.16 -0.21 0.27 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.91 0.80 -0.42 -1.08 1.63 -1.69 -2.14 116.57 114.59 2k87 h LYS 75 Ca 0.01 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2k87 h LYS 75 Cb 0.88 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2k87 h LYS 75 CO 0.12 0.62 0.00 1.63 -3.45 0.00 0.00 179.45 178.37 2k87 n LYS 76 N -4.37 2.29 0.00 1.90 5.02 -1.26 -4.95 118.16 116.79 2k87 n LYS 76 Ca 0.05 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 2k87 n LYS 76 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.40 2.58 3.55 0.72 0.00 -0.80 -4.23 105.19 108.40 2k87 n GLY 77 Ca 0.19 -2.13 -0.10 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 -2.09 -0.06 0.03 4.61 0.00 -1.26 -1.81 121.76 121.18 2k87 s ALA 78 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2k87 s ALA 78 Cb 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.21 2k87 s ALA 78 CO 0.00 -0.83 0.01 -1.59 0.00 0.00 0.00 175.76 173.36 2k87 s LYS 79 N -3.99 0.44 0.53 0.00 -2.85 0.07 -2.65 119.74 111.29 2k87 s LYS 79 Ca 0.24 -0.72 -0.08 0.00 -1.00 0.00 0.00 55.97 54.42 2k87 s LYS 79 Cb 0.00 0.16 0.12 0.00 -2.06 0.00 0.00 37.83 36.05 2k87 s LYS 79 CO 0.10 -0.09 0.72 -0.11 0.10 0.00 0.00 175.35 176.07 2k87 n LEU 80 N 1.16 0.00 -0.10 2.77 7.94 0.48 -1.58 117.00 127.67 2k87 n LEU 80 Ca -0.21 -0.91 -0.02 0.00 -1.11 0.00 0.00 56.01 53.75 2k87 n LEU 80 Cb 0.57 -0.54 -0.02 0.00 0.53 0.00 0.00 43.42 43.96 2k87 n LEU 80 CO 0.22 -0.99 0.12 -0.11 -1.11 0.00 0.00 177.39 175.52 2k87 n LEU 81 N 0.00 -0.24 -0.45 -1.96 7.94 -1.26 -2.10 117.00 118.93 2k87 n LEU 81 Ca 0.10 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2k87 n LEU 81 Cb 0.33 -0.06 0.01 0.00 0.53 0.00 0.00 43.42 44.23 2k87 n LEU 81 CO 0.24 -0.35 0.27 0.00 -1.11 0.00 0.00 177.39 176.44 2k87 n HIS 82 N -4.30 0.00 -3.93 1.96 1.44 -1.26 -5.08 115.22 104.04 2k87 n HIS 82 Ca 0.01 -0.05 -0.10 0.00 -2.01 0.00 0.00 57.72 55.56 2k87 n HIS 82 Cb 0.06 -0.05 -0.12 0.00 0.12 0.00 0.00 29.99 30.00 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 -0.14 0.20 0.11 -1.40 -0.14 -0.89 -5.13 119.74 112.35 2k87 s LYS 83 Ca 0.02 -0.36 -0.31 0.00 -1.36 0.00 0.00 55.97 53.96 2k87 s LYS 83 Cb 0.01 0.07 -0.08 0.00 -1.68 0.00 0.00 37.83 36.16 2k87 s LYS 83 CO 0.00 -0.03 1.37 -1.25 -0.76 0.00 0.00 175.35 174.68 2k87 s PRO 84 N -0.88 4.33 0.43 -1.68 0.04 -1.26 -0.39 135.00 135.59 2k87 s PRO 84 Ca -0.10 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2k87 s PRO 84 Cb -0.06 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2k87 s PRO 84 CO -0.00 -0.42 0.28 0.96 0.04 0.00 0.00 177.00 177.85 2k87 s ILE 85 N 1.12 2.34 0.29 0.56 -5.25 -1.08 -0.81 121.20 118.36 2k87 s ILE 85 Ca 0.64 -1.55 0.04 0.00 -0.99 0.00 0.00 60.65 58.79 2k87 s ILE 85 Cb -0.36 -2.89 -0.01 0.00 2.95 0.00 0.00 42.46 42.15 2k87 s ILE 85 CO 0.30 0.00 0.29 1.33 -1.79 0.00 0.00 174.94 175.07 2k87 n VAL 86 N -1.41 0.00 -4.09 8.37 0.24 -0.55 -4.58 118.33 116.31 2k87 n VAL 86 Ca 0.00 -1.89 -0.33 0.00 -2.04 0.00 0.00 64.34 60.09 2k87 n VAL 86 Cb 0.64 1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 33.85 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 -3.17 3.02 0.08 6.34 0.52 -1.26 -0.46 118.94 124.01 2k87 s TRP 87 Ca 0.31 -1.94 0.05 0.00 0.02 0.00 0.00 56.10 54.54 2k87 s TRP 87 Cb 0.01 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2k87 s TRP 87 CO 0.22 -0.83 -0.04 -3.38 0.02 0.00 0.00 176.95 172.94 2k87 s HIS 88 N 1.21 2.90 -0.31 -1.98 -3.43 -1.07 -4.86 115.29 107.75 2k87 s HIS 88 Ca -0.01 -0.06 0.02 0.00 -0.80 0.00 0.00 55.06 54.20 2k87 s HIS 88 Cb -0.16 -1.52 0.09 0.00 -1.43 0.00 0.00 32.58 29.56 2k87 s HIS 88 CO -0.09 0.45 0.04 0.42 -2.00 0.00 0.00 174.74 173.57 2k87 s ILE 89 N -1.24 1.72 -1.40 -5.38 1.01 -0.59 -3.21 121.20 112.11 2k87 s ILE 89 Ca 0.23 -1.85 -0.09 0.00 0.00 0.00 0.00 60.65 58.94 2k87 s ILE 89 Cb -0.11 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.15 2k87 s ILE 89 CO 0.15 -0.53 1.08 0.59 0.00 0.00 0.00 174.94 176.24 2k87 n ASN 90 N 4.51 -6.28 -0.80 3.58 3.02 -1.26 -0.23 115.26 117.79 2k87 n ASN 90 Ca -0.01 -0.51 -0.10 0.00 -0.03 0.00 0.00 54.58 53.93 2k87 n ASN 90 Cb 0.42 -4.96 -0.04 0.00 -0.61 0.00 0.00 39.78 34.58 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k87 n GLN 91 N -4.84 -1.28 -4.26 3.52 3.00 -1.26 -5.00 117.38 107.26 2k87 n GLN 91 Ca -0.01 0.83 -0.30 0.00 -0.01 0.00 0.00 57.00 57.51 2k87 n GLN 91 Cb 0.57 -5.00 -0.10 0.00 0.00 0.00 0.00 30.24 25.70 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k87 s ALA 92 N -2.11 2.92 0.16 -1.58 0.00 0.68 -4.18 121.76 117.64 2k87 s ALA 92 Ca 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 2k87 s ALA 92 Cb 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 23.12 22.18 2k87 s ALA 92 CO 0.00 0.63 0.49 -0.08 0.00 0.00 0.00 175.76 176.81 2k87 s THR 93 N -1.19 4.98 0.24 0.00 -1.32 -1.26 -1.55 115.64 115.54 2k87 s THR 93 Ca 0.21 0.52 -0.00 0.00 -1.21 0.00 0.00 61.69 61.20 2k87 s THR 93 Cb -0.11 -3.66 -0.03 0.00 -1.51 0.00 0.00 72.50 67.19 2k87 s THR 93 CO 0.13 0.12 0.21 0.42 -2.21 0.00 0.00 174.62 173.28 2k87 s THR 94 N -1.60 0.00 0.56 5.08 -4.23 -1.26 -4.95 115.64 109.25 2k87 s THR 94 Ca 0.40 -1.93 0.24 0.00 -1.18 0.00 0.00 61.69 59.23 2k87 s THR 94 Cb -0.13 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.56 2k87 s THR 94 CO 0.20 0.00 2.15 0.50 -0.54 0.00 0.00 174.62 176.93 2k87 h LYS 95 N 2.47 0.00 0.24 3.99 3.64 -1.99 0.18 116.57 125.10 2k87 h LYS 95 Ca -0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 2k87 h LYS 95 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2k87 h LYS 95 CO 0.47 0.00 -0.12 1.15 -2.27 0.00 0.00 179.45 178.69 2k87 h THR 96 N 0.00 0.81 0.00 1.00 2.02 -2.02 -3.33 112.91 111.39 2k87 h THR 96 Ca 0.05 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2k87 h THR 96 Cb 0.26 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2k87 h THR 96 CO -0.00 0.07 -0.41 0.35 0.37 0.00 0.00 175.52 175.90 2k87 n THR 97 N -5.16 0.12 0.47 3.16 -2.24 0.14 -4.16 114.28 106.60 2k87 n THR 97 Ca -0.09 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 2k87 n THR 97 Cb 0.20 -0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.12 -0.56 4.78 3.57 -0.86 -0.65 116.94 122.10 2k87 h PHE 98 Ca 0.00 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2k87 h PHE 98 Cb 0.57 0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 2k87 h PHE 98 CO 0.00 -0.69 0.20 0.87 -2.23 0.00 0.00 178.31 176.45 2k87 h LYS 99 N -1.33 0.36 0.00 1.11 1.57 -1.72 -1.49 116.57 115.07 2k87 h LYS 99 Ca -0.12 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2k87 h LYS 99 Cb 0.92 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 2k87 h LYS 99 CO 0.20 0.24 -0.54 -1.00 -0.57 0.00 0.00 179.45 177.78 2k87 h PRO 100 N 0.37 0.00 -0.22 3.15 0.13 -1.76 -3.11 132.00 130.57 2k87 h PRO 100 Ca 0.28 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.37 2k87 h PRO 100 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2k87 h PRO 100 CO -0.29 0.54 -0.02 -0.91 -0.23 0.00 0.00 178.00 177.08 2k87 h ASN 101 N 0.00 0.31 -0.75 1.44 -0.26 -0.08 -2.50 115.58 113.74 2k87 h ASN 101 Ca -0.01 -0.05 0.09 0.00 -0.56 0.00 0.00 56.30 55.77 2k87 h ASN 101 Cb 1.03 -0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 38.15 2k87 h ASN 101 CO 0.07 0.38 0.40 0.71 -1.06 0.00 0.00 177.43 177.94 2k87 h THR 102 N 0.32 0.90 0.00 2.81 1.35 -1.35 -1.33 112.91 115.61 2k87 h THR 102 Ca 0.07 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2k87 h THR 102 Cb 0.26 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2k87 h THR 102 CO 0.01 0.13 -0.01 -0.50 -0.25 0.00 0.00 175.52 174.89 2k87 h TRP 103 N 0.70 0.00 0.09 4.73 4.06 -1.60 -0.48 115.95 123.45 2k87 h TRP 103 Ca 0.36 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.30 2k87 h TRP 103 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 2k87 h TRP 103 CO -0.08 0.01 -0.04 0.00 -3.56 0.00 0.00 178.44 174.76 2k87 h LEU 105 N -0.62 0.82 -1.99 0.00 3.38 -1.06 0.17 115.31 116.00 2k87 h LEU 105 Ca -0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2k87 h LEU 105 Cb 0.50 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k87 h LEU 105 CO 0.02 0.42 -0.09 0.03 0.09 0.00 0.00 178.44 178.90 2k87 h ARG 106 N 0.87 0.00 0.00 1.13 3.08 -1.13 -0.91 114.38 117.42 2k87 h ARG 106 Ca 0.49 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.37 2k87 h ARG 106 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2k87 h ARG 106 CO -0.25 0.09 -1.19 0.00 -1.07 0.00 0.00 179.97 177.55 2k87 h LEU 108 N 0.00 0.00-10.10 0.00 3.38 -0.51 -3.47 115.31 104.61 2k87 h LEU 108 Ca -0.12 -0.04 -0.51 0.00 0.09 0.00 0.00 57.88 57.30 2k87 h LEU 108 Cb 1.57 0.00 0.21 0.00 0.09 0.00 0.00 40.66 42.53 2k87 h LEU 108 CO 0.06 0.02 -0.07 0.79 0.09 0.00 0.00 178.44 179.33 2k87 n TRP 109 N -2.32 -0.13 -4.23 1.13 7.02 -0.43 -4.91 117.44 113.56 2k87 n TRP 109 Ca 0.05 0.26 -0.23 0.00 -1.02 0.00 0.00 57.50 56.56 2k87 n TRP 109 Cb 0.44 -1.88 -0.17 0.00 -2.42 0.00 0.00 31.31 27.29 2k87 n TRP 109 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2k87 s SER 110 N -2.42 1.42 0.19 -0.99 0.15 -0.03 -4.74 113.70 107.28 2k87 s SER 110 Ca 0.64 -0.20 -0.31 0.00 0.70 0.00 0.00 55.95 56.79 2k87 s SER 110 Cb -0.22 -0.62 -0.09 0.00 -1.71 0.00 0.00 66.02 63.38 2k87 s SER 110 CO 0.62 -0.05 1.40 0.42 1.20 0.00 0.00 173.24 176.83 2k87 s THR 111 N 1.03 3.01 -0.27 6.45 -4.23 -1.26 -3.21 115.64 117.16 2k87 s THR 111 Ca -0.09 0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 61.19 2k87 s THR 111 Cb -0.14 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.30 2k87 s THR 111 CO -0.00 0.10 0.23 -0.75 -0.54 0.00 0.00 174.62 173.65 2k87 s LYS 112 N 0.29 0.25 1.02 3.99 2.47 -1.26 -5.01 119.74 121.49 2k87 s LYS 112 Ca 0.61 -0.18 -0.12 0.00 -1.56 0.00 0.00 55.97 54.72 2k87 s LYS 112 Cb -0.39 -0.94 0.20 0.00 -1.46 0.00 0.00 37.83 35.24 2k87 s LYS 112 CO 0.37 -0.94 1.08 -1.25 0.16 0.00 0.00 175.35 174.76 2k87 s PRO 113 N 2.27 0.23 -0.89 4.03 0.04 -1.26 -4.91 135.00 134.52 2k87 s PRO 113 Ca 0.09 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 61.73 2k87 s PRO 113 Cb -0.15 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 2k87 s PRO 113 CO -0.29 -2.90 2.98 1.33 0.04 0.00 0.00 177.00 178.15 2k87 n VAL 114 N -4.32 3.99 -0.89 -0.36 0.24 -1.26 -4.56 118.33 111.17 2k87 n VAL 114 Ca 0.05 -2.77 0.00 0.00 -2.04 0.00 0.00 64.34 59.58 2k87 n VAL 114 Cb 0.56 -2.13 0.00 0.00 -1.47 0.00 0.00 33.84 30.81 2k87 n VAL 114 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2k87 n ASP 115 N 2.33 -4.48 0.00 -1.34 8.00 -1.26 -5.40 116.55 114.40 2k87 n ASP 115 Ca 0.60 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2k87 n ASP 115 Cb 0.48 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.50 2k87 n ASP 115 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88